#DEFINITION	Reference Metabolome for Citrus trifoliata
#IDENTTFIER	RefMeta-Citrus trifoliata.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Citrus trifoliata
#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 Citrus trifoliata was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03312	1.5
69.19511	0.8
69.19910	3.9
71.01236	1.6
78.95769	0.8
83.01249	5.4
83.04874	0.7
85.02821	2.6
95.01239	1.2
96.95884	0.4
97.02806	0.8
97.06454	0.6
98.20576	0.9
99.00716	0.6
106.04072	0.6
107.04894	0.7
109.02845	1.2
109.06463	0.7
111.00761	17.8
111.04396	2.5
113.02307	0.6
120.05736	0.7
121.02895	0.4
121.06451	1.0
123.00761	1.6
123.04398	1.1
123.07978	0.7
125.05946	0.5
135.04414	1.8
135.08014	0.5
137.02318	1.8
137.05989	0.7
138.03117	2.0
139.03862	1.9
147.08014	0.6
147.11661	0.8
149.09619	0.8
151.03915	1.5
154.95599	0.4
161.06052	0.5
164.04724	0.5
165.09038	0.6
171.11725	0.4
173.05962	0.6
197.11768	0.7
209.11758	0.7
237.12668	0.6
249.12999	0.5
263.10870	0.5
269.03229	0.4
273.18729	0.7
275.14420	0.9
279.13879	0.5
281.19092	0.7
283.13834	0.5
283.16971	0.9
285.18430	1.2
287.11008	0.5
289.15662	0.9
293.15457	0.6
295.16934	0.8
303.13907	1.0
305.18921	0.6
307.19638	0.5
309.17953	2.8
309.21359	0.8
319.16855	2.2
323.20099	1.1
325.21786	0.6
327.19565	2.8
333.18481	0.8
335.16577	0.9
335.20139	4.1
337.18094	1.5
339.19473	0.6
351.19702	2.8
352.20007	0.6
353.17261	0.9
353.21225	9.5
354.21661	0.5
369.20697	3.9
379.19031	3.3
380.19351	0.7
393.20822	1.3
395.22263	9.9
396.22333	0.8
397.14429	0.7
397.20172	8.0
398.20380	0.5
411.21530	3.4
439.21188	100.0
440.21567	9.7
455.20721	1.8
457.22226	1.8
483.20187	70.0
484.20551	7.4
509.63120	0.5
540.05048	0.5
646.67877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	1.7
71.01247	33.8
72.99175	1.7
73.02814	24.7
79.48131	0.7
83.01258	10.6
85.02821	7.3
87.00746	2.1
89.02309	13.7
93.03325	2.9
95.01250	2.1
97.02864	1.2
101.02318	33.0
102.02662	0.7
107.01272	10.8
113.01531	1.1
113.02320	16.4
119.03404	7.3
119.04900	15.3
120.05216	0.8
123.94714	0.7
125.02326	3.3
125.22128	0.7
131.03387	3.4
132.98651	0.9
143.03380	4.2
145.02847	1.9
149.02254	0.7
149.04483	6.9
151.00266	49.6
152.00668	0.9
161.03207	1.2
161.04465	13.2
164.01077	0.8
165.01825	2.7
169.01346	1.5
175.00249	1.1
176.47855	0.7
177.01820	2.9
179.05473	1.3
187.03860	1.0
193.01239	1.3
193.84367	0.8
203.05559	1.6
221.06599	2.7
227.06917	1.2
235.02495	1.9
241.14441	1.4
269.04434	1.3
271.06104	34.7
272.06519	2.6
274.28052	0.8
313.07236	1.5
313.16467	6.8
331.17612	7.4
373.18628	48.3
374.18890	2.6
441.13895	1.0
459.11496	5.3
577.16150	0.8
579.17139	100.0
580.17365	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	995.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23109	0.1
71.01247	2.3
71.52512	0.2
73.02814	1.0
83.01245	0.3
85.02820	1.1
87.00745	0.1
89.02312	0.9
93.03344	0.3
95.01267	0.2
97.02777	0.1
99.00726	0.3
101.02317	1.6
105.03372	0.2
107.01257	1.0
111.00761	0.2
113.02322	1.3
117.03333	2.1
119.03401	0.3
119.04913	0.4
121.02847	0.2
135.04387	0.2
137.02373	0.1
143.03421	0.3
149.02357	0.5
149.04462	0.1
151.00272	0.7
157.06448	0.1
159.03101	0.2
159.04362	0.9
161.02364	0.5
161.04417	0.9
163.03897	0.5
169.01294	0.2
169.06502	0.4
171.04408	0.2
179.05527	0.3
181.06494	0.3
183.04427	0.6
196.05251	0.3
197.06017	0.6
201.05507	0.6
224.04730	0.2
225.05492	0.9
227.03424	0.4
239.03574	0.2
240.04179	0.2
241.05052	0.1
253.05043	0.1
268.03760	2.7
269.04526	100.0
270.04874	4.6
283.24817	0.1
285.04401	0.1
311.05606	0.1
313.16580	0.6
331.17569	1.7
356.08859	0.1
357.09360	0.1
373.18643	4.8
374.18903	0.3
577.15558	26.5
578.15942	2.1
648.71973	0.1
720.28900	0.1
744.33911	0.1
765.07800	0.1
836.73969	0.1
975.84930	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38974	0.5
70.39323	1.5
71.01245	2.4
73.02831	0.5
75.74894	0.4
80.02558	0.5
83.01249	5.1
83.01643	0.4
85.02832	1.7
85.31699	0.4
87.00738	0.9
89.02315	0.8
93.03338	2.5
95.01309	0.7
95.04965	0.5
96.95878	0.6
97.02833	0.5
100.48088	0.4
101.02347	1.4
107.01263	7.8
107.04866	0.4
108.02048	3.6
108.99232	0.4
109.02849	0.6
111.00762	0.6
113.02341	0.7
117.03369	0.6
119.01270	0.6
119.04896	2.9
121.02836	4.7
122.03619	6.0
123.00778	1.5
123.04411	0.6
124.01516	0.6
125.02338	1.7
125.64510	0.4
132.05682	0.5
133.02856	1.4
134.03618	1.3
135.04445	1.6
136.01544	4.2
137.02357	1.0
145.02798	0.4
147.04395	0.8
148.01552	0.7
149.02342	20.5
150.03127	32.4
151.00264	20.6
151.03743	1.5
152.00975	1.4
153.01826	0.5
158.03645	0.5
159.04448	1.0
160.04018	0.7
160.05212	0.6
161.02367	0.7
163.03889	2.0
163.99675	0.7
164.01048	12.4
164.04695	9.5
165.01756	1.6
165.05475	26.2
166.02567	0.5
166.05846	1.0
167.03394	0.5
169.01247	0.7
171.04443	0.6
175.00267	2.7
175.07544	4.0
176.01051	2.2
177.01825	1.6
177.05496	0.6
179.03394	0.8
179.07047	1.7
180.04214	1.8
181.05048	0.9
183.04501	1.2
184.05139	0.8
185.02359	0.6
186.03133	3.8
187.03879	2.0
190.02643	4.7
191.03374	2.7
192.03979	0.4
193.01341	2.8
195.06548	8.6
195.08273	0.4
196.00063	12.8
196.06963	0.5
197.06041	1.4
198.06723	2.8
199.07607	1.4
200.04668	0.5
201.05453	4.0
201.79706	0.4
202.06157	1.0
205.05000	5.4
207.02956	0.6
208.03702	5.7
209.04338	1.2
213.05443	0.5
217.08588	2.3
223.06050	16.9
224.06522	0.6
225.05466	1.4
225.07507	0.5
226.06300	2.7
227.03502	0.4
227.12643	0.5
228.04230	0.7
241.04970	1.5
241.08636	7.0
243.06569	4.3
245.08110	0.9
253.73978	0.4
255.06479	0.8
256.07162	0.5
268.03720	2.6
269.04510	4.0
270.05289	10.2
271.05783	1.0
283.06085	4.8
284.06689	1.8
285.07663	100.0
286.08035	5.7
297.07758	0.7
299.09302	5.1
301.03497	1.8
309.07697	1.5
327.08633	3.3
371.11304	1.5
386.42191	0.4
387.10571	0.6
411.12897	0.7
419.13589	3.1
575.17603	8.7
576.18158	0.9
593.18597	8.2
594.19092	0.8
750.28741	0.5
797.22565	2.8
798.23376	0.5
799.24512	22.7
800.25049	4.0
853.25226	0.6
875.27679	1.3
947.29291	1.5
995.31708	43.1
996.32086	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	989.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	5.0
71.52837	0.8
71.53274	1.4
73.02806	1.5
74.27237	0.8
81.03323	1.6
83.01259	2.1
83.04888	0.8
83.63503	0.9
85.02797	3.1
88.98663	1.3
89.02328	1.8
91.01756	2.3
93.03319	2.7
96.95879	1.5
101.02299	3.3
102.27768	0.8
107.01257	3.4
108.02035	1.5
109.02831	1.0
111.00751	0.9
113.02322	2.3
117.03344	5.7
119.01259	4.8
119.04897	2.9
121.02843	8.4
123.04382	1.1
125.02319	1.8
134.03609	1.4
135.04424	1.9
137.02356	1.6
147.00777	4.4
147.04364	1.3
148.01534	5.0
149.02350	26.3
150.03131	12.2
151.00229	4.0
151.03851	1.3
152.01022	1.7
153.01779	1.6
154.80005	0.9
159.04369	2.5
160.03888	1.1
161.02293	2.2
162.68388	0.7
163.03873	2.6
163.11090	0.8
164.03450	0.7
164.04686	15.7
165.01794	2.7
165.05467	3.9
167.03326	1.1
169.01282	1.0
175.00281	22.5
176.01070	26.2
177.01756	1.6
179.07016	1.3
181.04890	1.2
181.06537	0.9
183.04359	1.9
190.02631	41.9
191.03410	27.1
192.03970	1.0
193.01358	1.1
194.02116	4.8
195.06499	0.9
197.06006	1.0
205.04996	23.2
208.03699	2.0
209.04489	8.4
211.03896	0.8
223.06079	8.2
225.05521	2.6
225.07568	0.9
227.03349	1.3
239.03506	1.3
240.04306	1.6
268.03751	32.4
269.04529	100.0
270.04929	5.5
283.06110	20.7
284.06360	1.7
323.13513	0.9
410.93518	0.9
765.20483	10.0
766.19885	1.2
783.21570	10.2
784.21246	1.4
797.22272	1.4
988.71191	1.8
989.26923	73.8
990.27332	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	987.5883
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	0.5
69.72237	1.7
71.01250	8.2
72.99180	0.9
73.02814	1.3
78.93564	0.2
81.03285	0.5
83.01257	0.9
83.04894	0.4
83.45743	0.3
85.02824	2.2
87.00746	1.7
89.02317	6.3
95.01240	0.6
97.02826	1.4
99.00745	0.6
99.08037	2.1
99.96523	0.2
101.02313	6.3
111.08023	0.7
113.02330	3.4
113.09591	1.9
115.45804	0.3
117.43858	0.3
119.03378	1.6
123.08088	0.4
125.02349	2.6
125.09560	0.3
127.07559	0.4
129.09106	3.4
131.03369	0.5
139.11145	0.4
141.09137	0.7
143.03407	1.2
151.11147	0.4
153.12746	0.7
155.10629	0.6
161.04446	1.5
163.11153	0.4
167.10715	0.4
167.14362	0.5
169.12251	2.0
171.10146	0.4
179.05586	1.6
181.12250	2.9
183.13814	1.8
187.09660	0.4
193.12253	1.3
195.13728	0.3
197.11751	5.6
198.12048	0.5
199.13319	3.3
211.13327	12.2
212.13692	0.4
221.06566	0.4
222.12434	0.2
229.12236	0.3
235.08191	3.5
253.09109	0.3
265.21609	1.7
275.20129	1.1
277.21704	18.3
278.22061	1.2
287.07681	1.1
293.21201	7.5
294.21515	0.6
305.08813	1.2
309.20676	0.3
311.22250	100.0
312.22598	6.6
323.09863	0.6
397.13452	32.9
398.13898	1.5
415.14523	11.1
416.14453	0.5
675.36017	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	985.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	1.7
69.82929	4.1
71.01257	4.1
71.04919	0.7
72.99185	0.6
76.38977	0.7
80.02541	1.4
81.03327	5.2
83.01254	8.6
83.04884	3.2
85.02841	0.9
89.02310	2.8
93.03288	1.1
95.01246	0.7
95.04890	3.2
96.95882	0.8
97.02820	5.3
97.06450	6.0
98.19821	0.9
98.20424	1.7
101.02316	3.1
106.04120	1.5
108.02077	0.9
109.06452	1.9
113.02323	1.2
119.03419	1.6
119.08521	0.8
121.06474	1.7
123.04407	6.8
123.08026	3.4
125.02368	1.9
125.05941	1.5
125.09608	14.8
135.08026	2.9
137.05956	1.3
137.09616	7.8
138.09836	0.7
141.12750	1.7
142.02606	1.2
142.59802	0.7
143.03357	0.8
149.05980	1.6
149.09631	0.9
151.11137	0.9
160.08804	0.8
161.04453	1.3
161.09621	1.3
163.07585	1.6
163.11183	13.1
164.08315	1.1
165.12720	3.4
167.10667	2.1
171.10205	1.8
177.12752	1.0
179.10637	1.4
179.45978	0.7
181.12241	2.8
185.11763	10.7
191.10681	4.5
191.14330	14.4
197.11850	1.0
207.10216	8.4
208.10626	0.9
209.11758	75.8
210.12184	4.7
211.13373	0.9
213.64229	0.8
217.15898	1.9
225.11226	7.2
226.11868	0.9
235.08229	1.3
243.17451	0.9
245.19064	28.3
246.19403	2.6
247.16853	1.2
263.09265	2.2
263.20145	2.1
271.16931	2.9
277.21744	4.0
278.22006	3.4
279.19574	1.1
289.18079	100.0
290.18417	8.5
307.19125	83.9
308.19553	7.2
309.20041	1.1
397.13559	8.5
398.13660	5.5
399.14102	3.5
415.14505	3.3
416.15002	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	985.319
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	3.5
71.52156	0.2
71.52512	0.3
72.99168	0.5
73.02805	0.5
83.01228	0.4
85.02823	1.3
89.02309	1.7
99.86964	0.2
101.02320	1.9
104.23409	0.3
111.00820	0.3
113.02341	1.2
115.03810	0.3
117.03335	7.6
119.03349	0.7
131.01271	0.9
149.02327	0.4
161.02356	0.3
163.03899	0.9
173.02344	4.4
175.00269	6.2
176.00838	0.2
191.03455	0.3
206.10065	0.3
215.29671	0.3
221.06111	0.6
249.05568	1.1
251.03500	0.3
265.05051	0.9
268.03732	0.4
269.04440	0.9
281.04553	0.7
282.05444	0.6
283.06186	2.4
293.04538	100.0
294.04904	6.8
295.06021	0.5
305.16223	0.3
308.03531	0.3
311.05624	6.1
314.04410	0.4
323.05524	0.9
335.05670	0.8
341.06561	0.3
347.17017	0.9
365.06903	0.3
413.08749	30.9
414.08829	2.0
473.10895	1.5
593.15088	86.1
594.15405	9.5
711.56891	0.3
791.95532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.303
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	6.0
71.52303	0.8
71.52721	1.1
72.99191	0.8
73.02814	2.1
81.03348	0.9
83.01258	10.8
85.02805	4.1
87.00734	1.6
89.02303	1.7
91.01768	0.8
93.03326	13.4
96.95879	1.6
97.02820	1.7
99.00753	1.6
101.02328	2.5
103.03918	1.0
107.01270	33.1
107.04935	0.7
108.02062	4.4
108.99175	1.2
111.00755	1.3
113.02351	2.1
113.21960	0.8
117.01712	0.7
117.03366	4.1
119.01298	0.8
119.04915	47.2
120.05260	1.9
121.02833	7.7
122.03621	8.1
123.04379	1.9
124.01561	1.0
125.02338	8.8
133.02849	2.6
134.03668	1.6
135.00795	1.5
135.04405	2.0
136.01553	1.9
137.02361	3.3
139.03920	0.7
143.04880	1.5
145.01759	0.7
145.02835	13.0
149.02345	24.2
150.03125	44.6
151.00269	100.0
151.03783	2.4
152.00888	3.6
153.01836	1.8
160.03941	1.1
161.02367	1.5
161.06006	2.1
163.03917	4.5
164.01076	1.5
164.04692	8.0
165.01843	9.3
165.05475	31.0
166.02623	2.1
166.05858	1.2
167.03413	1.3
168.00623	0.9
169.01282	4.3
173.02469	0.7
175.00342	7.0
175.03966	1.8
176.01022	2.7
177.01830	8.8
178.02525	0.7
179.03355	1.6
179.05594	1.0
179.07028	1.5
180.04189	3.4
181.04933	2.7
185.06006	2.8
187.03906	3.2
190.02652	12.5
191.03384	3.7
193.01357	4.8
193.05113	1.1
195.06543	7.8
196.00070	1.3
205.01315	1.2
205.05006	18.7
208.03711	5.4
209.04373	0.8
217.01306	1.0
217.04863	0.9
223.06067	12.0
227.07098	2.1
229.05153	1.2
234.09012	0.9
245.08093	1.4
266.78955	1.0
268.03745	2.5
269.04538	10.9
270.05179	2.0
271.06119	62.1
272.06439	3.3
283.06088	2.0
284.03156	1.6
285.04044	2.2
285.07693	4.3
301.03564	0.8
313.07224	2.5
317.13748	0.7
321.06262	0.9
367.10327	7.1
441.10602	2.2
459.11685	1.7
490.11313	1.0
561.16119	12.8
565.20367	1.0
579.17145	20.7
580.17566	2.1
593.18945	1.5
621.18689	1.0
639.19366	2.7
653.32642	0.8
665.17444	5.8
682.17706	2.6
683.18481	1.4
748.98602	0.8
783.21674	3.1
784.22729	2.2
785.22980	91.8
786.23114	13.8
796.60382	0.9
861.24359	2.0
933.28235	1.3
967.68616	0.8
981.29669	18.7
982.29913	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	979.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	14.2
69.96186	0.2
69.96613	0.4
70.03665	0.2
71.01252	4.6
71.04920	0.1
72.99194	0.2
73.02818	3.3
75.00735	0.2
78.33580	0.1
81.03336	0.2
83.01254	1.0
83.04883	0.2
85.02818	2.7
87.00761	0.2
87.04388	2.8
89.02318	0.6
93.03347	0.1
95.01266	0.4
95.04898	0.6
96.96976	0.1
97.02832	1.0
97.06477	0.3
98.35430	0.1
99.00758	0.3
99.04401	0.2
100.71810	0.1
101.02319	3.2
109.02774	0.2
109.06501	0.7
111.00749	0.1
111.04402	0.9
111.08023	0.1
113.01614	0.2
113.02332	1.6
119.03394	0.4
121.06503	0.2
122.03621	0.3
123.08017	0.5
125.02338	0.3
125.05967	0.3
131.03397	0.2
135.08051	0.5
136.05174	0.3
137.05978	0.2
137.09604	0.5
138.06760	7.5
139.07497	0.4
143.03409	0.4
147.08051	0.3
149.04446	0.3
150.03188	0.1
151.07587	0.3
151.11168	0.3
152.08246	0.2
152.72313	0.1
153.09113	20.3
154.09456	0.5
155.10657	0.2
159.02814	0.1
161.04463	1.7
163.11189	1.2
165.09120	0.2
165.34828	0.1
167.07079	0.3
169.12262	0.3
175.63882	0.1
179.05473	0.2
180.07788	0.1
181.08719	0.1
181.12288	0.3
183.13795	0.4
187.11172	0.5
190.09941	0.4
195.92914	0.1
200.96567	0.1
203.05554	1.9
204.47885	0.1
205.12282	4.3
206.12607	0.2
211.13264	0.6
221.06618	0.4
221.11798	0.1
223.13345	3.7
224.13533	0.1
226.12019	0.1
231.08701	0.9
241.14409	100.0
242.12340	0.2
242.14752	3.9
265.14468	0.2
283.15479	0.1
289.56680	0.1
367.17725	0.1
379.61151	0.1
385.18674	3.0
386.19193	0.2
403.19702	1.0
427.19589	0.8
445.20752	19.0
446.21103	1.2
459.11099	0.1
489.20108	0.7
604.92017	0.1
619.51007	0.1
744.41669	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	979.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	5.7
71.18616	0.2
71.52014	0.1
71.52462	0.2
72.99175	0.8
73.02807	0.9
83.01246	0.7
85.02811	1.5
87.00694	0.3
89.02316	4.4
93.03341	0.8
95.01276	0.3
101.02316	3.8
103.03883	0.6
113.02317	1.8
117.03320	3.0
119.03393	1.9
119.04867	0.3
125.02357	0.3
131.01289	0.8
136.01579	0.3
136.89684	0.2
137.02327	1.9
138.09221	0.2
149.04446	0.3
151.03853	0.2
152.94743	0.2
161.02325	0.4
161.04434	0.4
163.00273	0.2
163.03822	0.3
173.02345	1.5
175.00279	3.7
176.00591	0.2
179.03386	0.7
179.05342	0.2
237.05527	0.2
239.05586	0.5
249.05591	0.3
251.96230	0.2
265.04926	0.4
265.09305	1.1
269.04532	1.5
281.04446	1.5
282.05325	1.9
283.06064	1.7
293.04544	52.8
294.04919	3.2
295.06064	0.7
307.06021	0.3
309.04196	0.2
310.05054	0.4
311.05573	4.1
312.05844	0.2
314.04236	1.1
321.04047	0.2
323.05640	1.7
334.42261	0.2
335.05594	1.4
340.89001	0.2
341.06512	1.4
341.12317	0.5
353.06686	1.0
355.08105	0.2
367.08176	0.2
385.11371	4.2
386.11679	0.3
413.08752	19.4
414.08929	1.2
447.14053	0.2
473.10852	1.6
593.15070	100.0
594.15424	9.4
594.25116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01242	0.4
71.52551	0.1
71.52897	0.1
72.99163	0.1
73.02814	0.1
78.72350	0.0
78.81085	0.0
83.01273	0.1
85.02818	0.2
88.98675	0.0
89.02352	0.1
93.03315	0.1
95.16893	0.0
96.95863	0.1
101.02315	0.3
103.03905	0.1
107.01272	0.1
107.04938	0.1
108.02062	0.2
109.02849	0.1
113.02343	0.1
117.03367	0.0
119.03384	0.1
119.04903	0.2
121.02856	0.1
123.04426	0.1
125.02338	0.1
130.04141	0.2
131.04907	0.1
134.03615	0.1
137.02344	0.1
137.05928	0.1
143.03412	0.1
145.02840	1.3
146.03613	0.2
147.04379	0.4
149.02362	0.3
150.03078	0.1
151.00281	0.2
151.03929	0.1
152.01053	0.1
153.01755	0.1
157.02853	0.1
157.06519	0.1
159.04373	0.2
160.03986	0.1
161.02347	0.2
161.04456	0.1
163.03967	0.1
164.04718	0.1
165.05479	0.1
166.02612	0.1
167.03554	0.0
173.02359	0.8
173.09595	0.2
174.03130	8.8
175.03911	4.4
175.07503	0.2
176.00992	0.0
176.04323	0.2
177.05440	0.1
178.02644	0.4
183.08089	0.4
184.05240	0.1
185.05992	0.1
186.06734	0.2
187.04015	0.1
190.02661	0.2
191.03467	0.1
193.05182	0.1
195.06593	0.1
199.07559	0.7
201.09149	1.4
203.03416	2.5
204.03772	0.1
205.05006	0.2
206.02135	6.3
207.02510	0.2
212.04787	0.2
217.08574	0.1
223.06120	0.1
227.07076	5.2
228.07359	0.2
230.05762	0.1
245.08147	100.0
246.08484	4.8
253.04306	0.1
255.02734	0.1
263.09094	0.5
265.09247	0.1
268.03665	0.2
269.04535	0.6
270.04913	0.0
271.06073	0.1
285.04211	0.1
317.06589	0.1
509.20313	0.2
569.22150	0.2
629.20599	0.1
783.20825	0.3
784.21094	0.1
815.31195	0.5
875.29584	0.3
876.30115	0.1
977.39441	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5652
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	0.5
75.00720	0.4
78.95771	5.2
80.91622	0.4
96.75040	0.4
98.20556	1.2
110.98417	3.6
121.04470	0.4
147.73581	0.4
154.90256	0.4
167.01038	1.8
185.02130	4.2
211.13254	0.6
229.42587	0.4
259.20654	0.8
277.21695	100.0
278.22067	6.1
300.06516	0.4
308.44888	0.5
354.68793	0.6
445.23575	48.2
446.23984	3.7
829.60492	0.5
961.48212	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
67.73553	1.3
71.01251	58.0
71.53275	2.5
72.99195	3.7
73.02818	29.6
75.00745	2.1
77.19506	1.5
83.01240	13.2
85.02809	14.6
87.00748	2.1
89.02316	29.7
93.03329	1.4
95.01255	3.9
96.95878	2.6
99.00747	2.1
101.02320	45.6
111.29492	1.6
113.02314	27.7
119.03378	8.5
119.04957	2.2
121.02830	1.8
125.02347	3.3
131.03365	3.0
134.80772	1.4
143.03366	6.2
149.02304	2.3
149.04425	7.9
151.00249	1.8
152.00990	1.8
161.04482	19.8
165.05505	2.0
167.03378	1.8
175.00352	1.7
179.05507	6.6
195.06631	1.5
203.05498	3.2
205.05000	1.9
221.06512	4.7
269.04401	2.2
271.05045	2.1
274.98343	1.4
291.03937	1.5
326.48663	1.6
381.22717	2.1
399.23764	22.1
400.23987	3.6
441.24899	100.0
442.25299	9.2
453.71942	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	961.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39969	10.2
71.01249	16.1
72.99168	2.0
73.02816	2.6
83.01264	1.9
85.02807	4.5
87.00742	5.8
89.02317	13.7
96.95886	4.0
97.02796	2.7
99.00734	1.6
101.02312	12.9
113.02314	7.4
119.03369	2.8
125.02314	5.8
132.30457	1.5
133.04869	1.2
143.03418	2.1
161.04410	3.8
175.48616	1.3
179.05508	2.9
180.92323	1.3
183.13837	7.7
201.33910	1.3
211.13329	100.0
212.13686	3.4
221.06604	1.5
235.08174	4.6
277.21716	59.2
278.21991	3.7
287.07529	2.1
305.08688	1.8
309.17413	1.9
324.25098	1.4
379.12488	12.0
395.99982	1.4
397.13470	43.9
398.13516	2.2
415.14328	8.0
591.26758	8.0
609.27576	3.5
657.34875	2.1
675.35779	7.0
699.88177	1.4
802.48785	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	961.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
67.88691	0.9
67.91669	0.9
70.72698	1.3
70.73046	2.6
71.01250	13.1
72.99194	0.9
73.02821	3.1
75.00735	1.5
79.15884	1.0
81.03329	1.0
83.01249	1.3
85.02814	3.6
85.56875	1.2
87.00740	4.3
89.02315	13.7
93.40064	1.2
96.95869	1.9
97.02820	2.0
101.02307	11.3
106.97159	0.9
113.02309	6.7
119.03355	3.0
125.02333	5.0
137.21614	0.9
143.03384	2.7
161.04466	3.0
167.03378	1.0
179.05560	4.7
183.13794	6.7
193.12360	1.3
211.13329	100.0
212.13687	4.1
235.08125	4.0
277.21719	46.4
278.22189	2.7
287.07803	1.5
305.08771	2.2
323.09818	1.6
324.98724	1.0
379.12463	12.2
397.13467	39.6
398.13885	2.3
415.14685	6.8
591.26349	9.9
609.27411	10.2
610.27502	1.4
657.34253	1.9
675.36035	3.5
722.24738	1.4
869.47925	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	957.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01761	0.2
70.10069	0.2
71.01246	1.4
71.52394	0.4
72.99162	0.3
73.02827	0.4
78.60290	0.2
83.01249	0.3
83.04897	4.4
85.02818	0.7
87.00754	0.3
89.02326	0.3
91.01765	0.3
93.03354	0.7
95.01263	0.3
96.95917	0.6
98.03545	0.3
101.02319	0.8
103.00253	0.3
103.03905	0.3
107.04837	0.3
108.02055	0.5
109.02849	0.4
111.00811	0.2
113.05967	100.0
114.06307	2.1
117.03327	0.5
119.04913	1.0
121.02839	49.6
122.03191	1.5
125.02438	0.3
131.04747	0.2
135.04430	4.5
143.04910	0.8
147.04373	0.4
149.02374	0.3
150.03152	0.5
151.00282	0.3
151.81631	0.2
157.06471	2.7
160.03947	0.5
163.03917	0.6
163.38333	0.2
165.05486	2.0
166.02666	0.2
170.54297	0.2
193.05019	0.2
195.06499	0.2
205.04887	0.3
217.08636	15.6
218.08919	0.6
268.03772	0.8
269.04523	0.4
277.10806	3.6
279.08716	4.8
283.06058	1.4
285.04181	0.4
316.15341	0.4
321.09781	5.8
462.85516	0.2
545.87085	0.3
751.26752	0.2
957.35535	0.5
994.24200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.246
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01756	2.0
67.86583	0.2
71.01259	1.1
72.99171	6.5
73.02818	3.6
76.29234	0.2
83.01254	1.6
85.02822	2.9
88.57051	0.2
89.02334	0.8
89.86037	0.2
93.03353	0.7
97.02827	4.3
99.00768	0.8
99.04404	0.7
101.02336	1.2
103.03868	0.3
111.00761	41.6
112.01102	0.5
113.02306	0.4
115.03889	0.3
119.04911	70.9
120.05252	2.8
121.02805	0.5
129.01851	1.2
136.98714	0.4
143.03398	11.7
144.79747	0.3
145.02789	0.3
154.99757	5.3
163.03912	100.0
164.04250	3.3
169.01331	23.3
170.01643	0.7
173.00829	12.7
177.25717	0.3
187.02406	2.5
203.57184	0.3
205.03464	43.6
206.03870	1.3
239.05566	0.3
265.09262	0.7
269.04611	0.5
307.05969	0.4
351.07217	2.7
367.08368	0.3
374.78641	0.3
460.94290	0.2
471.15018	0.7
487.13907	0.3
607.16510	3.6
608.17401	0.5
761.81787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	7.4
71.01605	0.7
71.52473	0.9
73.02821	2.3
83.01276	1.4
85.02818	4.2
89.02333	2.2
93.03351	2.3
95.01256	1.0
99.00739	0.7
101.02348	3.1
103.03897	1.7
105.06970	0.7
107.01248	0.6
108.02048	4.2
109.02837	1.5
113.02322	2.3
119.03442	0.6
119.04929	2.1
119.07018	1.1
121.02871	1.5
122.05985	0.6
123.00790	0.5
123.04469	0.7
125.02323	0.6
133.06480	2.8
135.04378	0.8
137.02356	3.1
143.04909	1.3
148.01555	3.0
149.02341	42.0
149.05975	2.1
150.02762	1.8
151.00250	1.6
152.01041	2.6
153.01868	1.4
159.04489	0.7
160.03973	1.2
161.02342	25.2
161.04439	1.3
162.02789	0.8
163.03899	1.0
165.01825	0.7
165.05423	0.8
173.05995	0.7
175.03917	4.3
176.04712	10.5
177.05486	100.0
178.05829	3.6
179.05519	0.9
188.01120	3.8
191.06987	0.9
193.05023	0.7
201.01878	7.3
201.05569	3.3
203.03418	69.7
204.03790	3.0
205.04909	0.8
220.03706	4.0
221.04494	83.6
222.04848	3.5
223.06105	0.8
245.04501	4.9
265.09351	1.0
269.04510	1.8
271.05984	0.8
279.12372	5.6
285.03992	1.2
300.02533	0.7
305.10248	1.6
323.11346	95.2
324.11655	5.4
337.76938	0.7
347.11237	4.7
365.08655	1.7
383.09802	2.4
385.11255	0.8
415.23196	0.7
467.15384	0.7
485.16626	58.6
486.16953	4.2
577.15045	0.8
598.73279	0.7
628.88617	0.6
714.67218	0.7
791.28021	5.7
792.28705	1.2
851.25604	1.7
908.43964	0.8
953.32611	24.3
954.32709	5.1
964.69031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21214	11.4
69.21619	28.7
78.95760	5.9
87.00745	3.9
89.91064	4.4
96.95873	4.9
98.17822	3.5
116.92771	5.7
119.04833	4.3
119.25895	3.8
145.02870	7.4
175.03868	10.4
187.03986	5.9
227.07042	9.6
245.05818	6.5
245.08177	100.0
263.08942	4.5
265.72336	3.6
347.15076	7.4
501.32330	8.2
509.21091	4.6
561.34003	12.2
751.39746	4.2
837.46313	4.9
902.20428	4.1
951.50977	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	951.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	0.7
69.35552	1.7
69.35966	0.5
70.02839	0.2
71.01250	22.0
71.04874	0.3
72.01582	0.4
72.99162	0.9
73.02399	0.3
73.02814	9.1
75.00741	0.9
81.03323	0.6
83.01247	4.9
85.02817	10.9
85.99961	0.3
87.00751	1.7
87.04395	0.4
89.02312	4.2
93.03327	0.4
95.01263	2.4
97.02808	1.2
99.00749	2.5
99.04382	0.2
100.56311	0.2
101.02318	18.3
101.52100	0.3
102.02625	0.4
107.51362	0.2
109.02858	0.3
111.00741	0.8
113.02326	9.7
119.03397	1.8
123.04382	0.3
123.82825	0.3
125.02344	2.0
129.01852	0.5
131.03380	0.6
137.09573	0.5
143.03368	2.3
149.02432	0.2
149.04440	0.8
151.03893	0.6
151.11153	0.5
153.09056	0.4
159.02922	1.6
161.04456	9.1
165.12767	0.4
167.14218	0.5
179.05566	0.3
181.12334	0.3
191.14381	0.4
195.13841	0.7
203.05560	1.2
205.03391	0.5
207.13861	0.3
209.12233	0.2
209.15414	1.1
221.06488	0.3
223.13493	0.2
225.14902	4.2
226.15245	0.6
227.16498	4.4
228.16785	0.5
237.14919	0.4
239.16423	0.7
261.83438	0.3
269.04559	0.4
269.17532	2.3
271.15436	1.2
272.44482	0.2
296.13025	0.4
319.59943	0.2
323.18588	0.4
369.19186	1.5
370.19473	0.5
371.20703	28.7
372.21002	2.8
373.21906	0.5
376.61435	0.2
387.20322	0.7
389.21786	27.1
390.22122	1.9
391.22479	0.3
429.21280	3.0
430.21609	1.5
431.22812	100.0
432.23151	11.3
433.24030	2.2
438.06345	0.3
475.21863	0.3
622.98615	0.3
682.03772	0.3
702.24133	0.3
951.30920	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03315	1.1
71.01242	1.8
71.52343	1.4
73.02808	1.8
78.03295	0.8
82.66822	0.9
83.04870	1.2
85.02811	6.7
87.04443	0.9
89.02313	1.1
95.04937	1.1
99.04379	2.6
101.02342	1.1
109.06474	17.4
111.04385	8.3
119.04886	0.9
121.06462	1.7
123.08027	2.6
125.05964	1.1
135.08051	23.8
137.09619	16.5
138.06703	2.4
149.09602	5.7
153.09097	8.0
163.11188	9.5
167.10699	11.2
175.11243	1.0
177.07649	2.0
177.09119	29.4
178.09483	1.9
191.10658	6.2
193.12260	100.0
194.12660	4.5
211.13327	38.6
211.14790	0.5
212.13690	1.6
217.12257	4.5
227.08795	0.9
234.97562	0.8
235.13342	24.8
236.13652	1.2
250.06306	1.0
253.14406	18.7
254.15080	1.1
255.02924	3.6
255.12236	3.1
283.02411	5.2
284.03018	0.9
285.04010	3.7
297.13431	11.7
327.04843	0.9
399.06497	1.2
446.08502	1.7
447.09418	2.2
609.14307	9.1
752.16663	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6098
Annotation	Unknow
Peak:m/z	Relative Intensity
68.30257	0.3
69.03326	0.8
71.01256	14.0
72.99187	1.2
73.02809	2.2
76.34923	0.3
81.03333	0.7
83.01270	1.4
85.02811	3.9
87.00755	3.0
89.02316	12.2
95.01257	0.9
95.84947	0.4
96.95896	0.4
97.02831	3.0
97.06516	0.4
99.00769	0.8
99.04455	0.3
101.02319	11.2
109.02785	0.3
111.04363	0.5
113.02327	5.1
113.09602	1.4
119.03381	3.3
121.02868	0.4
125.02326	4.8
131.03436	0.7
139.03871	0.6
143.03387	2.3
148.47539	0.3
157.16478	0.4
161.04453	2.9
167.03391	0.4
167.26019	0.3
167.30980	0.3
171.10182	0.5
177.12730	0.7
179.05537	2.4
179.14297	0.6
181.12280	0.5
195.13832	14.2
196.14169	0.4
221.06638	1.2
229.15953	0.3
235.08185	5.9
245.08298	0.6
253.09355	0.9
255.23267	35.5
256.23648	2.3
277.21713	12.7
278.21997	0.6
287.07712	1.9
295.22769	100.0
296.23117	8.3
297.23489	0.7
305.08673	2.4
312.19379	0.3
323.09665	0.5
323.54767	0.3
397.13474	63.9
398.13751	3.8
415.14548	18.5
416.14728	1.2
504.92325	0.4
635.40894	0.4
653.37457	6.2
654.38690	0.4
949.55499	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	949.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	0.4
69.93553	1.2
71.01257	3.9
71.04880	0.3
72.02016	1.6
73.02816	0.7
74.15523	0.3
79.03557	0.3
81.06952	1.2
83.04891	17.3
84.05268	0.3
85.02824	1.2
87.04386	60.7
88.00740	0.3
88.04728	0.9
89.02305	0.9
93.63728	0.3
95.04900	2.2
97.06461	11.8
98.03598	1.4
101.02325	1.5
109.06489	0.7
113.02323	0.7
113.05965	6.5
114.06285	0.4
121.06468	1.1
123.08038	1.1
135.08008	1.8
137.09613	14.0
138.06799	0.8
138.09914	0.5
139.07585	1.6
139.11174	0.6
149.02414	0.3
149.09615	2.7
151.00262	0.5
151.11220	1.1
153.09122	11.9
154.09491	0.6
161.04430	0.8
161.09595	0.9
163.11182	1.1
165.05464	0.3
165.12762	5.1
167.14272	0.4
169.89003	0.3
177.12773	1.6
179.10692	1.0
186.78934	0.3
193.12276	1.1
195.13832	27.3
196.14197	1.2
199.03995	0.3
201.12837	0.5
204.11520	0.8
206.74129	0.3
207.13737	0.3
209.15392	1.5
213.88844	0.3
219.13847	3.9
225.14867	2.8
226.15282	0.7
227.03438	0.5
237.14915	100.0
238.15239	4.9
239.12848	6.0
243.02963	1.7
254.99834	0.2
255.02954	1.6
257.04517	0.5
270.01712	0.4
271.02472	3.2
272.03061	0.5
281.13934	31.7
282.14288	1.9
285.04099	0.7
299.01932	3.7
300.02725	3.6
314.04269	3.9
315.05063	8.7
316.05511	0.4
369.19037	0.9
370.19427	0.3
371.20688	0.5
387.20270	0.4
429.21216	3.2
430.21667	1.2
431.22397	1.3
461.65997	0.3
623.16125	16.8
624.16675	2.0
853.23877	0.3
888.66187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39456	13.5
70.16245	13.0
71.01219	15.7
71.52004	20.5
79.67027	11.8
89.02323	19.2
93.93284	13.4
166.01311	20.5
184.52927	13.3
197.11737	100.0
198.11960	24.8
277.21765	56.0
278.22134	31.9
397.13348	42.5
415.14621	16.5
471.77328	13.8
491.93500	16.5
765.21423	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	948.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72707	48.6
70.73023	100.0
75.86820	47.3
102.78526	51.2
111.39728	50.0
112.34152	52.7
142.79517	56.4
156.53691	48.5
158.81322	46.1
210.77423	53.2
211.10844	49.6
245.90440	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	949.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
68.26568	0.2
70.49027	0.2
71.01248	4.5
71.07874	0.5
72.99167	0.7
73.02814	0.4
83.01241	0.3
83.40890	0.2
84.60425	0.2
85.02831	1.0
89.00448	0.2
89.02322	2.0
91.58138	0.2
92.71120	0.2
93.03336	0.3
95.01307	0.4
101.02303	1.9
113.02358	1.2
117.03342	7.6
118.05490	0.2
119.03381	0.5
119.04948	0.3
131.01259	1.0
137.02368	0.2
146.53133	0.2
149.02354	0.3
154.03584	0.2
159.04483	0.2
161.02325	0.7
161.04437	0.3
163.03879	0.8
173.02344	4.7
175.00288	7.1
175.03932	0.2
191.03493	0.3
209.56985	0.2
221.06158	0.3
237.05484	0.4
249.05530	1.2
251.03488	0.3
265.05109	0.6
269.04568	1.1
269.10321	0.5
270.04794	0.2
281.04520	0.9
282.05267	0.5
283.06122	2.7
293.04538	100.0
294.04877	7.2
307.05936	0.3
311.05594	5.6
311.11374	0.3
312.05981	0.5
314.04373	0.6
323.05539	0.8
327.08810	0.3
335.05624	1.1
341.06592	0.7
392.21503	0.2
413.08752	30.4
414.08981	2.0
473.11066	1.5
531.61743	0.2
593.15070	80.9
594.15399	9.1
594.25024	0.4
613.20056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	1.1
71.01249	26.9
71.52090	0.7
71.52477	0.7
72.65131	0.5
72.99165	1.8
73.02406	0.8
73.02812	15.6
73.24998	0.6
75.00719	0.8
76.79507	0.5
81.03307	0.7
83.01250	4.3
83.04896	4.0
85.02824	9.7
85.06438	0.9
87.00729	1.4
89.02300	5.4
92.75683	0.5
95.01250	2.7
97.02803	1.0
97.06461	2.1
99.00751	2.5
101.02319	18.8
111.00770	0.8
113.02326	11.8
119.03378	3.3
119.04857	0.8
121.02846	1.0
123.08038	2.0
125.02305	2.3
129.01810	0.7
131.03391	1.0
132.69781	0.6
135.00757	1.4
137.02364	0.6
137.09651	4.5
138.06677	0.6
143.03406	2.5
149.04443	1.5
149.09589	1.2
151.11182	5.5
153.09105	2.1
159.02917	1.5
160.03940	0.7
161.04456	16.5
165.09015	0.7
165.12752	4.3
167.03326	2.7
167.14334	5.6
177.12672	0.9
179.05588	0.9
189.12730	5.6
195.13852	4.7
203.05531	11.3
205.03409	1.0
205.12334	1.0
207.13824	7.7
221.06630	1.1
223.13319	1.5
225.14894	100.0
226.15254	5.3
239.72952	0.5
249.14966	2.0
263.75467	0.6
269.04636	0.6
269.13837	0.6
321.16989	0.6
327.08578	0.7
369.19168	24.5
370.19519	1.4
387.20212	17.7
388.20721	1.3
429.21259	80.0
430.21582	8.0
495.18454	1.1
497.20361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03741	1.1
69.61582	3.9
69.61997	2.4
71.01254	31.9
71.04893	3.0
72.99164	1.0
73.02818	17.0
76.48327	1.1
77.42207	1.0
83.01241	5.1
83.04877	1.3
85.02821	13.4
87.00763	2.5
89.02312	7.4
95.04874	2.3
97.02842	2.6
99.00751	2.7
101.02315	16.9
103.03906	2.7
109.06442	1.0
111.04443	1.5
113.02326	15.0
119.03384	4.0
119.04912	3.6
129.01842	1.0
137.09619	2.9
138.06750	18.1
143.03403	3.1
149.04436	2.4
149.09555	1.7
153.09109	52.7
154.09561	1.4
159.02943	1.5
161.04413	7.8
163.03883	4.8
163.11203	2.8
165.12807	1.3
169.01372	1.9
195.13977	1.5
203.05553	1.4
207.13814	5.5
225.14900	99.1
226.15237	4.9
245.81377	1.2
265.09320	3.9
269.04861	1.3
344.23654	1.2
369.19186	28.7
370.19418	2.5
373.18799	1.2
387.20251	17.8
388.20639	2.5
411.13058	1.2
429.21249	100.0
430.21411	7.8
473.20273	13.1
474.20535	1.4
638.83081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
68.46843	0.3
69.49747	0.3
71.01236	1.8
71.52589	0.4
77.24104	0.3
80.02541	0.4
83.01254	3.9
85.02821	0.5
87.00739	0.5
88.32750	0.3
89.02324	0.4
93.03316	0.8
94.55989	0.4
101.02317	1.1
107.01270	7.2
108.02041	3.1
109.39240	0.3
113.02328	0.5
117.03350	0.6
119.04910	2.0
120.04453	0.3
121.02812	1.0
123.00761	0.7
123.04392	0.8
124.01552	0.6
125.02311	1.6
133.02823	0.6
133.06433	0.4
134.03564	0.5
136.01518	2.9
137.02325	0.7
143.04871	0.4
145.02837	1.2
147.04402	1.6
148.05208	1.1
149.02347	1.1
151.00269	16.8
152.00572	0.5
158.03603	0.8
159.04405	1.1
160.05151	0.9
164.01059	10.8
165.01749	0.6
169.01277	0.7
171.04420	0.8
173.02361	1.3
173.06056	0.4
174.03168	3.5
175.00304	0.6
175.03906	0.5
175.07565	4.5
176.04733	0.4
177.01826	1.3
183.04433	0.7
184.05202	0.5
185.02364	0.5
186.03162	3.5
187.03905	1.5
190.05002	0.4
191.03378	0.9
191.07101	0.7
196.00067	11.5
197.06029	1.3
198.06821	2.5
199.07498	1.2
201.05510	3.6
202.06244	0.6
206.02089	0.4
207.08238	0.5
209.11728	0.6
214.02664	0.4
215.03448	0.9
215.07027	0.6
217.05019	0.7
217.08566	2.3
221.06012	0.9
223.07658	0.8
225.05452	1.2
225.16217	0.4
226.06296	2.5
228.04169	0.9
229.04871	0.5
233.06078	0.8
235.07860	0.6
237.05556	1.2
239.07155	0.6
241.04900	1.4
241.08655	6.1
243.06599	4.2
247.03813	0.4
248.04732	0.6
249.05585	1.0
250.06281	0.9
251.07182	2.1
256.07300	1.0
257.08261	0.5
261.05502	0.5
262.06320	0.6
263.07068	1.7
264.07840	1.1
265.04956	1.7
265.08752	0.9
267.06647	4.3
268.03671	0.6
269.04648	2.1
269.08069	0.4
270.05319	8.3
271.05746	0.8
277.05026	1.2
277.08347	0.5
279.06671	4.4
279.09760	0.5
280.07339	0.8
281.07932	0.5
282.08966	2.4
283.06168	1.2
284.06577	0.7
285.07663	100.0
286.08023	6.6
293.04599	1.6
293.07986	0.9
294.05383	1.4
294.08981	3.2
295.05960	1.4
297.11172	0.9
299.09299	1.8
304.07532	0.4
305.04443	1.1
306.05243	0.5
307.06094	0.7
308.06982	1.8
309.07709	2.8
310.08173	0.8
320.06824	0.6
321.07663	1.0
322.08398	1.0
323.05505	2.9
323.09210	4.6
324.06125	0.4
326.07797	0.8
327.08731	3.2
327.12265	0.7
335.09103	0.7
337.07028	0.7
338.07898	3.8
339.08783	0.9
341.10352	2.4
353.05933	0.8
353.10269	14.0
354.10648	0.8
371.11346	0.8
387.10941	0.4
456.22751	0.5
473.14871	0.6
541.17261	0.5
575.17743	4.9
576.17932	0.6
593.18762	13.5
594.19110	1.5
594.32477	0.4
621.06006	0.4
631.20105	0.5
809.24548	1.1
811.24701	1.6
917.28766	12.5
918.28931	2.5
929.28668	32.8
930.29022	5.8
947.29034	4.5
947.44403	0.3
948.30731	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13822	0.5
69.29623	1.9
69.30046	2.0
71.01250	1.6
73.02805	0.6
83.01252	10.1
83.01720	0.7
85.02847	1.0
87.00748	0.9
89.03860	0.5
91.01773	0.9
93.03332	8.9
95.01210	0.5
99.37718	0.4
101.02307	0.9
107.01266	27.0
108.02098	2.6
109.02850	1.0
113.02351	0.7
117.03346	3.7
119.01259	1.8
119.04912	40.5
120.05223	1.1
121.02831	7.0
123.00769	0.6
124.01579	0.6
124.98627	0.4
125.02332	5.6
132.02020	0.5
133.02847	0.8
134.03642	0.5
135.04381	1.3
136.01563	2.6
137.02325	0.7
139.03891	0.5
143.04938	5.2
145.02856	11.3
147.00793	1.4
147.04396	1.5
149.02338	30.2
150.03094	2.4
151.00266	100.0
152.00613	2.5
153.01869	0.5
159.04405	0.7
160.04060	0.7
161.02347	0.6
161.05995	1.7
163.00269	0.8
163.03896	1.6
164.01047	7.8
164.04686	18.8
165.01849	8.7
165.05336	0.7
167.03407	0.6
169.01312	2.6
171.04387	0.6
175.00255	11.1
176.01082	3.3
177.01831	10.3
179.03450	0.7
179.06993	2.6
183.04445	0.6
185.05997	4.2
187.03922	1.6
189.01869	0.8
190.02625	22.8
191.03409	4.1
193.01347	4.3
194.02036	0.9
196.00058	6.2
197.05998	0.7
198.06779	0.6
203.07091	0.9
205.04984	24.8
208.03696	4.6
209.04468	1.5
217.01376	0.6
223.06052	19.5
224.06401	0.8
225.05544	0.8
227.07117	5.5
229.05121	0.7
235.02481	2.0
241.05013	2.8
256.07401	0.5
267.06461	0.5
268.03781	5.3
269.04529	24.9
270.05237	6.2
271.06097	74.4
272.06427	3.5
285.07614	2.3
295.05988	1.5
313.07153	3.8
339.07153	1.3
411.13223	0.9
415.10507	0.8
419.45126	0.5
433.11328	15.7
434.11621	0.9
436.63800	0.5
441.10406	1.7
454.48166	0.5
459.11548	3.4
561.16101	10.1
562.16431	0.9
577.15625	12.4
578.15747	1.2
579.17114	27.6
580.17163	2.2
639.18750	0.9
665.18103	2.8
723.21362	0.9
741.22430	3.6
785.22913	74.1
786.23279	11.6
827.24023	0.9
903.27051	1.2
947.28119	34.9
948.28577	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	945.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
71.21267	4.6
77.45061	2.0
80.66426	2.3
83.04877	3.0
88.34512	2.1
101.05962	74.3
131.00587	2.0
183.08057	5.4
199.07568	5.0
209.11838	3.9
227.07085	100.0
228.07397	4.7
245.08154	26.6
274.40991	2.6
395.15009	3.9
500.10278	2.6
525.24896	7.9
555.25958	41.3
556.26239	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	947.282
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	0.6
69.31961	2.2
69.32388	3.3
71.01260	1.9
73.02819	1.5
79.32176	0.6
81.03334	1.4
83.01252	9.4
85.02829	1.7
86.40881	0.6
89.02334	0.9
91.01776	0.8
93.03331	8.0
97.02824	2.1
101.02328	1.7
107.01266	25.2
108.02087	1.3
109.02866	0.8
113.02336	0.7
117.03335	4.1
119.01283	1.4
119.04908	40.8
120.05261	1.2
121.02846	3.9
123.00776	0.9
123.04416	0.9
125.02318	7.9
135.04391	1.2
136.01550	1.1
137.02338	1.1
139.03973	0.8
140.36842	0.6
143.04913	18.6
144.05305	0.7
145.02843	15.9
147.00804	0.9
149.02345	6.6
149.99515	0.6
150.03111	2.6
151.00266	100.0
152.00595	3.0
157.06454	0.7
161.04686	0.9
161.05992	2.2
163.03882	1.4
164.01073	2.3
164.04703	4.6
165.01839	13.8
165.05421	1.0
166.02544	1.0
169.01343	2.7
175.00267	12.1
176.01085	7.9
177.01849	9.8
179.03459	1.5
179.06999	0.6
183.02917	0.8
183.04439	0.9
183.08084	1.1
185.05994	11.2
187.03856	2.1
188.84653	0.7
190.02644	26.1
191.03378	9.1
193.01331	2.1
194.02118	1.3
196.00063	2.6
199.03886	0.7
203.07033	2.5
205.04990	24.0
206.05519	1.1
207.02959	0.6
208.03610	1.0
209.04440	1.7
217.01392	0.8
223.06049	6.9
225.05528	0.9
227.07076	20.3
227.09338	1.0
228.07495	1.0
229.05124	1.1
235.02400	2.6
241.04964	1.3
268.03748	2.0
269.04498	13.7
270.04962	6.6
271.06113	65.1
272.06375	4.2
285.04556	1.0
285.07605	6.4
313.07138	2.5
339.07178	2.3
353.08731	0.9
367.10287	18.0
368.10519	0.8
415.10425	0.7
433.11206	1.1
459.11594	4.8
577.14978	1.1
578.16510	1.1
579.17090	46.2
580.17432	3.9
580.83185	0.6
597.00861	0.8
639.17163	6.4
723.20648	1.4
785.22504	3.9
947.28131	66.8
948.28674	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	945.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	78.1
77.16590	56.5
81.39395	57.2
88.98701	94.3
101.05943	82.1
119.89101	45.5
134.44972	66.7
135.78595	54.4
156.45386	59.5
201.11212	56.4
209.11743	97.2
245.08194	100.0
413.40167	57.6
451.03680	60.9
478.60956	63.5
582.45258	57.8
801.35034	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
66.82026	11.5
69.36929	100.0
76.92529	11.1
77.06610	10.9
98.56357	14.7
136.71175	11.1
209.11693	22.5
243.71716	11.8
277.21686	22.3
319.96735	14.3
387.82846	13.6
397.13324	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	0.6
71.52289	0.5
83.01266	0.4
85.65356	0.3
93.03340	0.6
103.03887	0.3
107.01274	1.2
111.00780	0.5
117.03338	2.8
119.01286	0.9
119.04933	0.8
121.02862	2.5
124.59393	0.3
133.02841	0.9
135.04436	0.8
147.00774	0.6
147.04465	0.6
148.01563	0.9
149.02338	14.5
150.03137	4.4
151.00261	2.1
151.03889	0.6
152.01041	0.6
153.01833	0.4
159.04445	1.2
162.03099	0.4
163.03874	1.6
164.04695	8.9
165.01889	0.4
165.05435	1.7
169.06534	0.4
170.90503	0.3
171.04434	0.3
175.00275	4.9
176.01073	4.3
177.01785	0.8
179.07022	0.7
181.06479	0.6
183.04489	0.8
190.02629	11.7
190.04362	0.6
191.03401	7.1
193.01314	0.7
194.02101	1.6
197.06039	0.4
201.05544	0.7
205.05008	6.5
206.05681	0.4
208.03699	1.1
209.04468	4.4
223.04091	0.6
223.06071	4.5
225.05489	1.2
227.03471	0.8
239.03479	1.1
240.04208	1.2
241.14394	1.5
242.14861	0.4
268.00763	0.7
268.03751	36.0
269.04526	100.0
270.04874	6.0
271.06009	0.5
280.15515	0.5
281.04495	0.8
283.06107	5.8
284.06549	0.5
311.05609	2.3
322.16528	0.5
367.10422	0.5
373.85101	0.3
413.08734	0.6
431.09891	1.9
508.11060	0.4
559.14478	6.3
560.14404	0.5
576.66760	0.5
577.15582	14.8
578.15686	1.4
637.15717	0.6
783.21350	51.2
784.21594	7.6
825.22272	0.5
945.26636	5.5
946.27094	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.361
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98693	1.1
67.01778	2.1
69.57542	7.6
71.01254	30.7
72.99187	4.2
73.02824	15.3
75.00740	1.1
83.01266	5.9
83.04877	3.1
85.02822	29.6
85.99960	1.2
87.00748	30.5
89.02305	11.7
95.01263	3.3
97.02833	2.7
99.00741	7.1
101.02319	33.4
103.03896	26.0
111.00774	15.3
113.02321	15.5
119.03411	6.9
119.04900	20.4
121.02876	2.1
125.02384	1.7
129.01843	2.5
134.03632	1.3
135.04401	2.7
137.09630	16.1
143.03418	6.5
149.02338	15.8
150.02716	1.7
151.11192	4.9
154.99727	2.6
159.02997	2.6
161.04492	7.1
163.03926	25.2
163.12338	1.2
164.04698	15.7
165.05142	1.6
165.12790	2.1
167.14351	4.2
169.01344	6.2
173.00807	3.2
175.00290	4.4
176.00931	2.1
179.03445	2.0
179.07065	2.2
189.12849	1.1
190.02649	13.3
191.03423	6.1
193.84766	1.1
195.13861	3.4
203.05504	1.7
205.03403	8.9
205.05060	12.2
206.05629	4.2
207.02856	2.5
207.13809	4.2
208.03563	2.3
209.15430	4.1
221.08147	3.3
223.06047	13.5
223.13361	2.9
224.06284	2.1
225.14915	40.6
233.15331	5.9
237.07635	1.5
237.14929	1.8
241.14413	1.5
249.14935	3.5
250.04727	1.7
251.16464	2.2
263.16541	1.6
265.07248	3.6
265.09344	39.6
266.09732	10.9
267.09814	3.5
269.04510	11.6
279.15994	4.3
281.17563	2.1
291.16077	5.4
297.17142	11.9
303.16275	1.2
309.17120	3.1
325.09335	1.5
339.18323	1.5
369.19135	100.0
370.19592	8.0
387.20206	30.1
388.20834	2.1
429.21274	77.2
430.21585	7.4
471.15042	89.0
472.15369	31.8
473.15573	20.3
474.15848	1.7
577.15515	1.8
593.15125	1.6
632.01007	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.506
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72857	100.0
71.01290	35.6
84.41929	31.3
91.83358	32.3
111.07142	28.7
116.92677	47.4
209.11809	46.9
215.32152	30.9
277.21866	34.6
585.65088	35.3
900.64435	37.8
917.50391	36.6
958.38141	46.5
977.07343	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03315	3.0
69.55093	1.9
71.01249	84.8
72.01582	1.2
72.01997	0.2
72.99177	3.1
73.02815	100.0
74.03165	0.9
75.00750	1.8
81.03310	0.8
83.01253	34.8
84.01569	0.4
85.02819	8.8
87.00745	2.3
89.02312	14.0
90.02689	0.4
95.01263	2.7
97.02823	1.8
98.19866	0.4
99.00742	1.1
99.04394	0.9
101.02318	97.3
102.02627	1.2
103.03880	0.7
113.02324	33.0
114.02671	0.8
115.03871	0.4
117.01849	0.7
119.03384	12.9
120.03738	0.3
121.02847	0.4
125.02324	4.4
131.03389	11.1
133.53250	0.3
135.04390	0.3
137.02336	0.5
141.08089	0.3
143.03397	11.8
147.02888	0.8
147.04268	0.4
149.02379	0.9
149.04451	26.3
150.04793	0.6
155.03395	3.2
161.04457	44.4
161.65773	0.2
162.04782	0.9
163.03967	0.5
164.04684	0.7
170.94089	0.3
191.05576	0.7
203.03751	0.5
203.05536	5.9
205.04953	0.5
205.12270	0.7
206.05724	0.4
221.06587	23.0
222.06921	0.6
223.06065	2.1
223.13344	1.2
239.70062	0.3
247.13390	0.4
265.07010	1.9
265.09546	0.6
265.14374	0.7
310.09644	0.3
327.09171	0.4
385.11197	0.3
439.28036	0.3
471.15466	0.4
955.76849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.48
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00210	9.4
69.27261	48.2
69.27683	24.9
71.01241	100.0
72.99176	7.3
73.02805	25.8
75.65900	7.2
83.01260	23.0
83.04900	7.1
85.02824	61.4
87.00734	18.5
89.02345	10.4
93.03314	12.1
95.01261	12.5
95.99654	6.8
96.95866	17.6
98.19786	16.0
99.00737	16.1
99.40404	7.7
101.02340	47.7
103.03867	9.7
103.25636	7.3
111.00756	10.0
112.55431	8.9
113.02318	45.0
116.92705	9.3
119.04898	24.4
138.21234	7.3
151.00250	9.4
161.04475	23.2
163.03836	8.4
165.01883	9.2
171.89842	7.5
190.02591	15.5
194.49847	8.0
205.05008	14.5
211.87991	9.7
212.21596	8.9
330.83734	9.1
445.64444	8.5
747.46655	30.4
748.45496	11.8
765.48053	13.2
789.47479	21.1
807.49884	40.1
849.49957	43.8
850.50299	9.7
893.44214	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	935.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01237	0.3
74.44631	0.3
83.04894	3.6
97.06472	2.6
98.20585	0.5
118.98511	0.2
119.04867	0.3
123.08089	0.6
129.00871	0.2
137.09601	1.3
139.11218	0.3
149.09628	1.0
151.11240	0.4
163.11191	5.4
163.12514	0.4
165.12791	0.7
167.14343	0.5
177.12749	0.9
179.10735	0.5
179.14331	3.9
195.13841	15.9
196.14211	0.7
197.15363	0.4
215.20753	0.2
223.13354	15.2
224.13618	0.6
239.12871	0.4
241.14412	100.0
242.14771	4.0
255.02983	1.0
256.03528	0.3
267.02606	0.2
269.04520	0.3
283.02475	0.6
283.15497	41.1
284.03259	3.2
284.15787	2.6
285.03827	0.4
297.04028	0.7
298.04904	0.5
299.02216	0.3
299.05609	5.7
299.08868	0.4
517.38281	0.3
519.74036	0.3
552.20990	0.2
562.48553	0.3
607.16669	7.5
608.17181	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01733	0.4
69.33318	2.0
71.01251	1.4
73.02821	0.8
76.52572	0.2
85.02821	0.4
87.04422	0.3
89.93634	0.2
97.06849	0.2
101.02318	0.9
107.04892	0.8
107.80036	0.2
113.02338	0.5
119.04936	0.7
119.08558	0.5
122.03607	0.5
122.86565	0.2
123.04424	1.3
135.04408	9.0
135.05450	0.5
137.05991	0.8
138.05434	0.3
147.04504	0.6
148.43633	0.3
149.05945	0.4
150.06766	1.6
151.07544	36.2
152.07912	1.0
161.05966	0.5
163.07550	21.1
164.07858	0.7
175.03957	0.6
177.05476	9.7
178.05893	0.3
189.05504	1.0
194.05759	0.7
195.06546	2.2
203.10719	1.9
205.04979	0.3
205.08556	0.4
206.08229	0.3
207.06566	4.1
211.09694	0.5
221.11758	1.0
223.06059	0.5
223.09692	1.4
226.04787	0.6
229.08586	0.2
239.12831	5.4
239.15196	0.3
247.09749	1.4
253.14439	1.1
265.10794	9.0
265.13812	0.3
266.11252	0.4
269.04572	0.3
281.10339	0.9
283.11847	6.4
284.12350	0.3
297.13385	3.6
299.11365	0.2
341.12466	1.4
341.19614	2.1
367.17419	1.5
385.18646	100.0
386.18991	7.4
445.17166	0.3
547.23944	56.5
548.24213	6.1
736.01123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00175	1.0
66.22482	0.5
67.01756	1.8
69.41186	3.7
72.49519	0.5
72.99191	0.4
73.02810	3.0
83.01245	0.6
85.02868	0.4
93.03324	0.4
97.02830	3.9
99.04433	0.7
111.00762	10.8
117.03383	0.4
119.04910	52.8
120.05260	1.9
143.03398	12.5
154.99736	0.8
163.03914	100.0
164.04247	4.2
169.01331	17.5
170.01663	1.1
173.00816	0.9
187.02405	2.0
205.03477	1.7
217.75650	0.5
351.07294	1.4
411.63745	0.4
643.95807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.6664
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01237	0.3
83.04878	0.2
111.92422	0.1
127.07568	0.2
149.09612	0.8
151.02438	0.1
167.37604	0.1
192.41455	0.1
205.19447	0.2
229.25584	0.1
233.22714	0.3
259.20618	0.4
275.20041	0.3
277.21692	100.0
278.22055	7.1
438.26639	0.2
509.26093	0.1
523.37805	0.2
579.41034	0.1
605.41925	0.4
623.43085	0.2
653.44275	1.0
654.43835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00194	21.8
71.01260	4.4
71.52917	0.8
73.02820	1.2
81.03342	0.8
83.01255	11.9
85.02827	2.8
86.37608	0.6
87.00726	1.4
89.02326	1.4
91.05396	0.9
93.03336	8.5
95.01279	0.9
96.95877	0.8
97.02819	1.3
101.02319	2.3
103.03909	1.0
107.01272	32.2
108.02074	3.2
108.70566	0.5
109.02827	1.8
113.02304	1.8
115.03922	0.7
116.92673	0.7
117.03355	5.4
119.04914	50.3
120.05267	1.2
120.06083	0.6
121.02834	2.3
123.04417	1.3
125.02339	14.5
128.03339	0.9
131.01317	0.8
133.02826	0.9
135.04402	1.2
137.02324	1.8
143.04915	2.2
145.02852	17.1
147.04416	2.1
148.05251	1.3
149.02325	2.6
149.05922	1.0
150.02994	1.7
151.00273	100.0
152.00726	2.7
153.01852	0.8
159.04338	1.1
161.02330	0.8
161.05971	2.4
163.00255	0.7
163.03941	1.1
164.01050	1.2
164.04623	0.7
165.01828	5.3
165.05521	1.0
167.03389	1.2
169.01329	3.7
173.02338	1.1
174.03134	3.1
175.00305	2.4
175.03816	1.0
175.63312	0.7
177.01828	8.5
181.05022	1.1
185.06004	1.9
187.03905	3.7
188.04706	0.8
189.05562	1.0
190.02673	1.8
191.03392	1.9
191.07062	1.1
193.01486	1.5
193.05029	1.0
195.06599	0.9
201.01973	0.7
202.02673	1.7
203.06958	0.8
205.01295	0.8
215.03470	1.1
217.01274	0.7
217.05040	1.0
220.03700	0.8
223.05833	0.9
227.03372	0.8
227.06995	3.5
229.05121	1.9
235.02391	1.0
237.05597	1.6
241.05034	0.7
249.05569	1.8
250.06323	0.8
251.07141	3.0
252.07803	0.9
263.07111	1.6
264.07935	1.6
265.05060	1.8
265.09167	1.1
267.06561	4.8
269.04651	3.9
270.05069	1.5
271.06122	63.0
272.06308	3.2
277.04852	1.1
278.05899	1.0
279.06610	3.8
279.09610	1.1
280.07419	1.1
282.09052	2.8
285.04416	1.1
285.07690	4.2
293.04541	2.3
294.05536	1.5
294.09055	3.3
295.06107	1.7
297.11374	1.3
305.04666	0.8
307.06134	1.2
308.06924	2.7
309.07684	1.8
310.08466	0.8
313.07175	2.4
316.05460	0.8
322.08377	1.1
323.05612	2.2
323.09146	10.8
323.12784	1.0
326.08209	0.9
335.09256	1.0
338.07877	4.1
341.10355	3.4
353.10342	13.5
371.11371	1.3
420.49768	0.7
441.10907	1.0
459.11774	1.8
561.08014	0.5
561.16083	13.5
562.16260	1.1
579.17212	17.5
580.18182	1.2
593.18683	0.8
751.22565	1.3
757.23358	2.3
769.23572	3.4
770.23492	1.0
783.22327	1.5
795.21674	5.8
797.23511	1.9
813.22754	1.0
834.71570	0.9
837.77142	0.9
903.27179	21.1
904.27087	4.2
915.27112	38.9
916.27252	7.9
933.27173	7.4
934.27832	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00185	1.6
67.01763	1.6
73.02819	4.3
77.21354	0.1
81.13869	0.1
83.01265	0.7
85.02840	0.1
86.41781	0.1
86.97446	0.1
93.03336	0.6
97.02827	4.2
98.19840	0.3
99.00759	0.2
99.04392	0.6
111.00761	12.1
112.01099	0.1
115.03916	0.1
117.03353	0.2
119.04913	61.3
120.05246	1.8
121.02879	0.2
125.02320	0.2
135.04430	0.2
136.98714	0.3
143.03398	11.7
144.03809	0.2
154.99789	0.5
163.03915	100.0
164.04242	3.0
169.01332	17.7
170.01654	0.4
187.02373	1.3
192.87222	0.1
248.41003	0.1
257.20584	0.1
269.04504	1.4
327.08698	0.2
351.07169	1.5
435.39032	0.2
501.58728	0.1
577.15210	0.3
656.00146	0.1
842.18146	0.2
957.87714	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69000	0.4
64.90459	0.3
65.00201	1.4
67.01768	1.6
72.99176	6.1
73.02815	3.0
83.01248	1.5
85.02811	1.6
93.03337	0.8
97.02837	3.3
98.19769	0.8
99.00761	0.9
99.04366	0.6
101.02303	0.6
111.00759	35.4
112.01101	0.4
115.03871	0.4
119.04910	63.4
120.05269	2.1
126.37063	0.3
129.00992	0.3
129.01831	1.3
133.72508	0.3
135.88248	0.3
136.98686	0.5
143.03397	10.1
154.99759	5.0
163.03911	100.0
164.04259	3.7
169.01328	23.4
170.01631	0.4
171.60007	0.3
173.00826	10.4
187.02356	2.0
200.72791	0.3
200.85686	0.3
205.03462	42.9
206.03801	0.9
230.13635	0.7
258.20181	0.3
269.04422	0.9
282.42545	0.3
289.89877	0.3
327.08853	0.4
351.07272	2.7
363.76584	0.3
528.42157	0.3
542.31012	0.4
566.79419	0.3
577.15259	1.4
618.12579	0.3
656.17188	0.3
668.58276	0.3
841.88422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25893	0.4
67.01757	0.7
67.88026	0.4
69.03320	0.7
69.87932	1.3
69.88325	0.8
71.01252	40.3
72.82492	0.4
72.99177	1.4
73.02830	1.4
83.01250	1.8
84.02028	1.4
85.02821	54.8
86.03170	0.9
87.00741	1.5
89.02315	12.2
93.23605	0.5
95.01260	22.6
96.95914	0.6
97.02837	0.9
98.20558	0.5
101.02321	2.0
110.33038	0.5
113.02328	100.0
114.02670	2.1
115.22633	0.4
125.02394	0.7
131.03381	2.0
139.00276	1.3
143.03412	4.1
149.04482	2.2
161.04459	24.9
274.37885	0.5
311.09741	1.7
359.40182	0.5
439.32062	2.0
516.36664	0.5
574.85535	0.5
623.96167	0.6
795.41962	1.4
927.45941	46.4
928.46118	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	927.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00196	4.9
67.12649	0.5
69.03333	0.6
71.01250	30.0
72.01577	0.6
72.10011	0.5
72.99162	1.2
73.02814	32.6
75.00736	0.7
83.01254	13.5
85.02805	4.0
87.00729	0.6
89.02309	9.8
93.03307	2.2
94.26165	0.5
95.01244	0.8
97.02808	0.8
99.00746	0.7
101.02317	36.3
107.01266	8.5
113.02326	12.1
119.03429	4.3
119.04912	15.6
125.02330	3.6
131.03404	3.8
140.57959	0.5
143.03380	4.3
145.02843	1.9
147.02873	0.7
149.04463	9.4
151.00267	36.6
152.00636	0.6
155.03381	0.8
161.04465	15.3
164.01143	0.8
165.01778	1.3
169.01350	0.5
175.00249	1.0
177.01839	2.4
179.05524	1.4
193.01323	1.2
203.05435	2.9
205.01265	0.7
221.06618	4.9
227.07071	1.1
235.02309	0.6
261.13312	1.1
270.04974	0.7
271.06097	25.0
272.06366	1.6
303.14493	3.0
313.07089	1.1
459.11545	6.1
460.11963	0.6
579.17120	100.0
580.17407	12.5
580.25806	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5387
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76964	0.9
71.01251	20.8
71.52509	1.1
73.02815	11.1
81.03330	3.7
83.01253	3.8
83.04892	12.6
85.02821	6.3
87.00735	1.8
89.02319	6.0
93.03339	0.9
95.01268	2.0
97.06448	1.1
99.00753	2.0
101.02309	14.2
113.02328	9.3
115.07761	0.8
119.03363	3.4
125.02338	1.1
125.07120	2.0
137.09612	1.4
138.06799	1.3
143.03404	1.7
151.11143	2.5
153.09091	4.0
159.02896	1.1
161.04480	9.0
165.12778	1.3
167.03400	3.5
167.14313	1.8
178.68468	0.8
179.05626	1.3
189.12773	5.0
195.13785	2.0
203.05531	3.4
207.13806	3.8
223.06052	1.3
225.14757	32.1
333.22800	1.6
365.29797	1.0
367.26926	1.0
369.19153	16.9
370.19537	1.9
387.20297	15.2
429.21274	54.4
430.21655	6.0
433.31747	5.0
451.32867	100.0
452.33215	10.7
892.18188	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56252	2.5
69.22218	27.2
71.01247	15.6
73.02845	3.4
75.24989	2.6
85.02857	2.7
87.00735	4.7
89.02322	4.1
90.81487	2.7
97.02861	7.7
97.49806	2.8
99.00760	14.5
101.02309	7.9
109.68586	2.7
113.02331	7.4
125.09608	5.5
163.11145	7.6
181.12302	14.6
199.26382	2.9
207.10217	47.0
225.11263	67.1
226.11612	3.7
243.12357	17.4
244.12813	3.3
255.23273	54.4
272.13568	3.4
397.13528	9.9
591.02686	3.0
605.24274	13.5
623.25604	7.1
807.05933	3.7
861.48486	100.0
861.92004	3.3
862.48694	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	15.0
69.37298	2.5
71.01250	11.5
72.99189	0.8
73.02818	9.1
75.00716	0.3
75.73151	0.4
83.01260	3.9
85.02819	4.6
87.00728	0.6
87.04377	3.0
88.96698	0.3
89.02311	3.2
94.70679	0.3
95.01251	1.0
97.02837	1.0
97.06454	0.4
98.02521	0.3
99.00726	0.5
99.04339	0.4
101.02321	9.0
109.06457	0.9
111.04367	1.2
113.01628	0.5
113.02337	5.7
119.03360	1.7
123.08073	0.4
125.02320	0.4
131.03365	0.8
135.08067	0.7
137.06003	0.4
137.09627	0.8
138.06754	7.3
139.07487	0.5
143.03383	1.2
147.08064	0.6
149.04440	1.1
151.07597	0.4
151.11198	0.5
153.09113	20.7
154.09413	0.7
155.10654	0.6
160.28601	0.3
161.04449	3.7
163.11180	1.4
167.07040	0.4
179.05519	1.8
181.12248	0.4
183.13800	0.3
187.11359	0.5
187.13345	1.1
203.05553	2.0
205.12308	4.5
211.13434	0.8
221.06659	0.8
223.13338	4.1
231.08740	1.4
241.14407	100.0
242.14738	5.3
263.00949	0.3
307.15460	0.3
331.17493	2.9
349.18597	1.1
362.11673	0.3
369.11862	0.3
385.18643	5.4
391.19739	5.6
392.19830	0.4
403.19553	2.0
427.19733	0.9
445.20758	25.2
446.20892	1.5
489.19864	0.6
679.03253	0.3
684.04254	0.3
913.40961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.6663
Annotation	Unknow
Peak:m/z	Relative Intensity
71.32195	0.5
71.32529	0.3
79.29665	0.3
105.93652	0.3
112.40142	0.3
114.91875	0.3
149.09624	0.6
172.86481	0.3
194.63719	0.3
247.20496	0.4
265.21707	100.0
266.22034	5.1
300.67908	0.3
382.88455	0.3
523.37378	0.5
605.42517	0.3
653.43658	0.7
730.42242	0.4
904.19336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00191	0.2
69.03338	0.3
71.01250	6.3
71.52699	0.4
72.02058	0.4
72.99187	0.5
73.02811	1.7
83.01254	0.6
83.04903	0.7
85.02822	2.1
87.04394	0.7
89.02293	2.1
93.03332	12.6
94.03648	0.4
95.01289	0.3
95.04920	0.2
96.99200	2.4
97.02780	0.2
98.03624	0.2
101.02322	3.1
111.00794	0.3
111.08038	0.5
113.02327	1.5
117.03336	8.8
118.03651	0.5
119.03376	0.8
119.04908	10.4
120.05266	0.3
121.02850	0.7
123.04392	1.1
125.02313	0.5
130.04118	0.8
131.01250	1.2
131.04921	3.3
133.02863	2.3
134.03564	0.3
135.04417	0.4
137.02350	0.5
139.11201	0.3
143.04910	11.0
144.05273	0.3
144.54337	0.2
145.02863	1.8
145.06480	0.5
147.04416	0.3
149.02290	0.3
158.03569	0.3
159.04425	0.7
161.02339	0.8
161.04503	0.8
163.03918	6.7
164.04170	0.3
165.12718	0.6
167.14297	0.5
171.04440	1.4
173.02341	5.4
175.00273	7.5
179.05469	0.3
193.06589	0.4
195.13794	0.3
197.15363	1.7
203.03363	0.3
209.06084	0.3
211.07556	3.1
214.57315	0.3
219.08049	0.6
220.05348	0.3
221.06206	0.4
221.09692	0.7
221.15660	0.2
223.07617	0.7
235.07611	2.2
237.05588	0.3
237.09190	3.3
238.09581	0.3
239.16463	11.4
240.16698	0.4
241.14389	1.4
247.07648	0.4
249.05595	0.8
251.03426	0.3
265.05554	0.6
265.08673	12.7
266.09027	0.9
268.03745	0.3
269.04620	1.0
269.10446	0.6
281.04520	0.9
282.05350	0.5
283.06082	2.7
283.09116	0.4
283.15515	4.1
293.04529	100.0
294.04886	6.5
295.06070	0.6
309.04318	0.4
309.07623	3.0
311.05588	5.7
311.11273	0.6
314.04236	0.7
323.05634	0.9
327.08704	73.4
328.09024	5.0
335.05576	1.1
341.06830	0.4
347.16913	0.3
381.05371	0.3
406.46902	0.3
413.08740	34.6
414.09088	2.6
473.10843	1.8
519.44025	0.3
529.23120	0.3
565.24847	1.8
593.15045	76.0
594.15338	7.9
881.24634	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
66.27245	1.8
71.01250	100.0
71.52884	2.7
71.53281	3.1
72.51574	1.7
72.99165	2.0
73.02815	6.8
79.63116	1.8
80.96377	2.0
83.01240	2.7
85.02837	5.8
87.00742	5.7
89.02306	15.6
95.01271	2.8
97.02831	5.2
97.33434	2.0
101.02311	14.5
109.06478	5.0
113.02303	9.1
119.03370	2.7
125.02323	6.0
125.09606	3.2
127.11183	2.8
128.27766	2.3
143.03398	4.2
161.04477	2.9
163.11197	2.4
166.97424	1.9
171.10176	44.6
179.05518	2.2
199.09642	12.5
201.11261	11.2
207.10213	19.9
224.94798	1.9
225.11269	13.1
235.08081	3.9
245.08255	3.2
277.21713	53.5
278.22079	3.6
290.07483	2.1
305.08771	2.2
354.41483	1.9
379.12369	4.6
388.02609	1.9
397.13498	41.5
415.14566	9.9
883.46851	12.3
884.47137	3.7
901.47186	2.9
919.49481	18.1
920.49072	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	919.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
67.58051	1.0
69.03316	1.5
69.24778	11.6
71.01251	35.9
72.01624	1.2
72.99194	1.5
73.02814	14.5
75.00745	1.5
78.74713	1.0
83.01252	6.6
85.02816	24.1
87.00768	2.0
89.02316	4.9
91.31493	1.0
91.60622	1.1
92.69248	1.1
95.01255	4.1
98.20512	2.2
99.00748	7.1
101.02319	31.7
102.78587	1.3
108.01997	1.1
109.13018	1.1
113.02327	17.8
119.03388	1.6
119.04903	1.3
129.01817	1.7
141.67384	1.0
143.03378	1.9
150.03029	1.3
159.02907	2.4
161.04446	14.1
171.02147	1.0
355.21298	6.3
373.22275	54.9
374.22729	2.8
415.23346	100.0
416.23712	8.3
417.21545	1.2
659.80090	1.3
875.46686	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	917.6506
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01241	0.7
71.32319	0.3
71.32649	0.3
80.17799	0.3
96.95888	0.3
97.06423	0.3
115.78793	0.3
119.08559	1.2
139.83681	0.3
144.28600	0.3
147.08054	8.5
219.21085	0.3
245.19077	0.6
255.23473	0.4
261.18652	0.7
263.20126	100.0
264.20474	8.4
277.21655	0.3
289.25296	0.3
376.67670	0.3
397.13947	0.4
441.04938	0.3
496.59293	0.3
595.40009	15.8
596.40070	2.1
653.44415	3.2
654.44208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	0.4
69.52252	1.8
70.98225	0.3
71.01255	2.1
72.02039	1.5
74.09277	0.2
75.50991	0.2
81.06968	1.0
83.04889	16.9
85.02797	0.3
87.04384	55.9
88.04717	0.7
89.11304	0.2
92.07301	0.3
93.03348	0.4
95.04900	2.4
96.75180	0.2
97.06462	11.0
98.03609	1.3
98.06776	0.3
107.01266	0.3
109.06477	0.8
111.08012	0.4
112.54379	0.2
113.05963	7.2
120.05698	0.3
121.06475	1.2
123.08051	1.4
135.08031	1.5
137.09608	12.9
138.09914	0.4
139.07515	1.7
139.11130	0.4
149.09604	2.5
151.00270	0.6
151.11180	0.9
153.09119	9.2
154.09456	0.4
159.04427	0.3
159.90608	0.3
161.09610	1.0
163.00250	0.4
163.11200	0.8
165.12752	4.8
166.13013	0.3
167.14243	0.5
175.11130	0.5
177.12727	1.9
179.10704	1.2
187.03918	0.4
193.12273	0.7
195.13821	26.3
196.14177	1.1
201.12741	0.4
204.11438	0.6
209.15410	1.7
213.05455	0.5
219.13831	3.9
221.11734	0.3
227.03444	4.0
228.04001	0.4
229.04985	1.5
237.14908	100.0
238.15225	6.2
239.03461	0.4
239.12851	5.7
241.04921	0.4
242.91725	0.3
255.02959	8.1
256.03568	0.7
257.04538	1.0
281.13922	34.4
282.14279	2.5
284.03247	12.0
285.03992	16.0
286.04254	0.7
340.32767	0.3
593.15051	33.3
594.15363	4.0
594.23810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00178	4.0
69.18606	23.0
71.01252	16.8
73.02811	6.9
83.01270	3.8
85.02830	13.4
87.00747	4.9
89.02313	6.9
93.03326	5.6
95.01234	2.1
96.95900	5.7
99.00783	3.2
101.02344	11.4
103.03911	2.2
107.01292	4.1
107.04914	2.2
108.02032	8.1
109.02868	3.4
111.00755	5.0
113.02332	7.6
119.03413	2.1
119.04920	16.6
121.02848	5.5
123.00777	2.6
123.04397	3.0
125.02345	4.2
127.84442	2.2
128.03468	3.0
129.01791	2.7
133.02844	2.9
134.03627	4.2
135.04477	2.8
137.02338	5.4
145.02846	3.7
148.05168	2.6
148.32576	2.2
149.02365	6.9
149.05978	6.3
150.06764	50.4
151.00356	11.4
151.03873	2.6
151.07364	2.4
152.01022	9.2
153.01828	2.6
160.03922	5.6
160.26743	2.1
161.02315	7.2
161.04425	3.3
162.06808	5.9
163.03912	3.5
163.07562	21.9
164.04678	5.6
164.08336	4.7
165.01796	2.5
165.05447	2.9
175.03819	2.3
176.08334	3.9
177.01807	2.3
177.09119	3.4
178.09889	2.5
179.10695	13.5
190.02687	2.8
193.04939	3.2
205.05009	4.9
223.06137	3.7
241.14459	2.4
255.02991	3.0
265.09265	2.6
268.03583	4.4
269.04477	13.3
270.04871	3.0
271.06009	5.8
279.23392	2.4
285.04025	6.3
327.21765	6.7
446.30234	9.6
460.31860	8.6
461.32718	18.9
487.30093	3.0
488.31174	4.8
506.32379	9.5
507.33148	23.9
508.33600	2.7
577.15088	4.1
669.38483	8.0
711.21136	2.4
711.39886	7.6
813.44794	4.3
873.45093	100.0
874.45435	18.0
917.26093	3.0
917.40137	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
67.48891	1.3
69.03305	2.7
69.34089	8.7
69.34499	3.1
71.01249	88.5
72.01579	3.2
72.99171	3.6
73.02815	100.0
74.03144	3.3
75.00743	3.2
76.87292	1.3
83.01248	28.7
85.02816	22.6
87.00744	3.4
89.02306	14.5
95.01253	4.6
95.84667	1.6
97.02831	2.8
99.00743	4.2
101.02314	95.2
102.02692	3.2
113.02330	41.2
117.53022	1.4
119.03409	8.2
119.04946	1.7
125.02333	3.5
131.03391	9.0
143.03358	8.5
149.04437	18.1
150.04903	1.5
155.03410	3.5
159.02867	2.1
160.03937	1.6
161.04453	36.9
203.05534	3.5
221.06596	10.5
268.03665	2.8
269.04553	12.9
355.21066	2.9
373.22287	28.2
415.23364	60.8
416.23758	5.5
514.59058	1.6
577.15869	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	915.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03312	3.8
71.01250	77.0
71.36443	1.2
71.89976	0.7
72.01614	1.0
72.99187	3.7
73.02815	100.0
73.68272	0.6
75.00744	1.6
81.03345	1.5
83.01250	30.7
83.04877	0.6
85.02825	11.2
87.00759	2.3
89.02312	15.4
93.03352	0.7
95.01252	3.6
97.02824	1.9
99.00740	1.7
101.02319	87.1
102.02652	1.4
104.50856	0.7
108.02069	1.1
111.00745	1.1
113.02325	36.1
116.71532	0.6
119.03385	10.6
119.04924	0.9
121.02837	0.6
125.02325	4.2
130.72749	0.6
131.03391	10.2
137.19800	0.6
143.03389	11.2
147.02879	0.9
149.04456	20.9
151.00165	0.7
152.01030	1.1
155.03387	2.8
159.29578	0.6
160.03975	0.8
161.04463	33.2
163.03876	1.2
163.56682	0.6
186.05327	0.5
195.06546	0.9
203.05516	6.9
204.56473	0.7
205.05096	0.8
208.67688	0.8
221.06601	10.9
269.04587	0.9
300.02737	0.7
328.08597	0.7
413.21909	0.9
431.52576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	3.6
71.01253	93.5
72.01588	1.0
72.99178	3.9
73.02820	98.2
74.03159	1.7
75.00749	2.6
80.24847	0.6
81.03351	0.8
83.01258	31.9
85.02821	13.1
87.00755	3.8
89.02316	18.4
93.03352	0.7
95.01260	5.0
97.02827	1.9
99.00757	1.2
101.02323	100.0
102.02650	1.7
108.02061	1.4
111.00777	1.1
113.02332	43.4
114.02709	0.9
117.01859	0.7
119.03388	12.6
119.04865	0.8
125.02319	5.3
131.03398	11.8
143.03415	12.5
143.04530	0.7
147.02919	1.2
149.04463	23.5
152.01073	0.9
153.01790	0.7
155.03386	3.6
161.04468	35.4
162.04836	0.6
164.04697	0.7
179.05463	0.9
187.62038	0.7
191.32233	0.6
193.91589	0.6
203.05536	6.5
211.32079	0.6
221.06601	11.3
227.32101	0.6
228.67046	0.6
267.24857	0.7
269.04565	2.4
270.73495	0.6
413.21756	2.6
435.70538	0.7
512.05511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01759	18.8
68.99696	3.8
69.32597	2.4
69.33010	6.3
71.01249	1.9
77.71653	1.0
83.01249	1.2
96.95885	1.3
101.05962	65.4
102.06301	1.2
111.00748	9.4
111.04411	1.1
121.02831	1.1
127.07542	0.9
150.50845	1.0
219.32494	1.0
229.08565	1.6
241.03716	9.1
254.04564	15.3
255.05238	1.7
266.04562	100.0
267.04843	6.5
294.07574	1.6
308.09302	1.2
309.10040	10.1
310.10172	1.2
324.12405	93.6
325.12759	8.8
384.76794	1.1
404.58530	1.1
415.21225	1.9
459.20306	3.6
499.27039	4.1
515.27228	1.2
543.26001	86.3
544.26471	11.1
579.94342	1.1
587.24945	33.6
588.25275	4.6
720.06268	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	910.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
63.81514	0.9
74.02367	1.0
78.95776	1.4
99.05540	1.0
101.04596	0.9
101.99141	1.0
119.04932	1.1
128.03445	3.5
143.04501	2.1
145.02805	1.0
195.38113	0.9
211.07655	1.3
254.07991	1.1
272.08777	4.6
291.19766	1.3
312.19199	1.1
353.06555	1.3
385.36551	0.9
458.20728	2.2
459.21573	1.1
475.15903	1.2
476.16736	6.9
477.17392	3.7
491.19006	3.1
517.22302	3.5
535.18085	9.1
536.18512	2.1
550.20673	1.8
605.21918	11.3
606.23175	1.0
637.24860	100.0
638.25055	13.0
703.66150	0.9
712.08960	1.2
941.00604	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00188	0.1
71.23107	0.1
71.40670	0.1
73.02814	0.4
83.04894	4.6
86.75649	0.1
88.22623	0.1
97.06462	3.3
98.06804	0.2
98.19787	0.4
107.01279	0.3
119.04916	0.6
121.06481	0.3
123.08071	0.7
137.09631	1.7
139.11166	0.5
145.02892	0.1
147.07950	0.1
149.09590	1.0
151.00275	1.5
151.11215	0.6
152.00641	0.1
161.09631	0.2
163.03928	0.2
163.11198	6.4
164.11568	0.3
165.12758	1.1
167.14320	0.5
177.12762	1.2
179.10767	0.6
179.14320	3.8
180.14700	0.3
195.13828	17.3
196.14192	1.1
201.36626	0.1
223.13336	16.8
224.13670	1.0
229.88766	0.1
239.12874	0.3
241.14407	100.0
242.14737	6.5
243.14922	0.3
257.81244	0.1
271.06039	1.0
283.15485	50.0
284.15848	3.5
349.12427	0.2
459.11597	0.2
579.17096	3.7
580.17188	0.6
726.97235	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	908.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73551	0.3
70.70241	1.0
71.01253	4.9
72.99163	0.4
73.02819	4.4
73.55869	0.3
75.00713	0.5
83.01244	1.1
85.02829	1.4
85.12009	0.3
87.00713	0.5
89.02296	0.7
93.03333	0.7
95.01276	0.4
96.95912	0.7
99.00824	0.3
101.02331	3.7
106.06508	6.4
108.02052	0.7
109.02834	0.6
111.00764	0.6
113.02329	1.2
119.04943	0.5
121.02845	0.8
123.04454	0.4
125.02299	0.5
128.04829	0.3
132.04425	0.3
134.05989	0.6
135.04434	0.4
137.02370	0.6
143.03429	0.5
145.02933	0.3
146.02463	0.4
149.04701	0.3
149.05893	0.3
150.05508	100.0
151.00240	0.5
151.05890	2.9
152.01077	1.0
153.01816	0.4
160.03920	0.6
161.02155	0.3
161.04424	0.5
162.05522	1.2
163.03954	0.7
164.07088	1.1
165.01974	0.4
165.05472	0.5
166.02625	0.3
173.02290	0.4
174.03136	1.0
174.05568	0.7
175.03909	0.8
181.04907	0.4
192.06598	2.4
195.06546	0.3
203.05521	0.4
205.04947	0.4
206.02107	0.5
207.06630	0.5
227.07077	0.5
236.94089	0.3
241.14507	0.4
245.08159	15.5
246.08450	0.6
255.03038	0.5
265.09198	0.5
269.04507	1.1
271.06134	0.5
284.03033	0.5
285.04028	1.2
285.64084	0.3
289.14328	0.6
447.09277	1.1
577.15796	0.4
619.61774	0.4
644.25201	0.4
883.87988	0.4
908.32300	0.6
909.31610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
65.38465	1.6
69.49168	8.5
69.49568	4.3
71.01251	4.3
74.73334	1.9
83.04878	2.5
86.78337	1.6
89.96067	1.6
95.04890	2.3
98.20345	6.7
109.21356	2.0
111.00745	2.6
114.15054	1.7
141.03622	1.6
174.03133	4.2
175.03923	5.9
201.05495	33.9
206.02141	2.9
227.07076	21.1
229.08650	3.7
245.08087	8.9
259.09796	3.2
297.15073	4.7
320.12418	2.2
323.12894	4.4
347.14810	10.2
385.23737	4.6
429.22418	2.4
441.53519	1.9
455.20694	4.4
497.21796	23.3
498.22290	4.3
515.22809	100.0
516.23077	13.1
560.26251	2.1
743.30664	14.3
845.37268	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	906.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01229	4.4
77.36234	3.7
128.31335	3.8
132.38638	3.4
166.39183	4.0
168.12560	3.6
174.03163	4.7
187.03929	5.1
201.11214	6.1
206.02293	5.6
207.02618	4.4
209.11736	9.0
227.07021	8.0
245.08141	100.0
246.08519	34.8
247.08699	6.9
279.23294	5.9
304.28397	4.4
397.13559	5.7
411.73215	3.8
419.44568	3.9
429.19275	4.3
515.22357	16.4
516.22845	13.4
891.13159	4.0
913.62091	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	905.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75633	0.3
64.98196	0.3
71.01243	0.7
71.53206	0.4
71.53569	0.4
75.86134	0.4
83.48035	0.4
89.02370	0.4
95.04894	0.4
97.02835	0.4
98.78802	0.3
116.92735	0.5
145.02826	1.1
147.04498	0.4
161.02289	0.5
164.65575	0.4
171.10258	2.1
173.02432	0.6
174.03137	7.4
175.03909	3.4
183.08104	0.8
184.66322	0.3
187.03915	2.5
187.69093	0.4
191.14348	0.5
199.07559	0.9
201.09138	1.2
201.11230	0.6
206.02061	3.9
209.11797	0.9
212.04698	0.6
227.07077	7.9
245.08153	100.0
246.08508	5.4
277.21674	2.2
278.21912	0.5
279.22928	0.6
282.25034	0.4
295.22772	11.1
296.22998	2.9
297.15015	1.8
323.12863	0.9
335.16623	0.5
353.87366	0.4
385.23657	1.0
497.21771	0.8
515.22845	21.2
516.23169	2.7
561.19476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85649	6.3
70.85973	3.6
71.01264	6.2
74.69599	3.1
78.34244	3.3
78.96971	2.7
80.96394	3.3
83.01287	3.3
83.04876	3.3
89.02312	4.4
98.20112	4.7
99.46600	3.3
113.02321	3.7
174.03070	3.7
175.03818	4.0
179.05441	3.5
201.05508	23.4
201.11188	10.7
201.12865	4.8
206.02100	4.6
209.11761	16.3
225.79863	2.9
227.07062	18.2
235.17010	3.4
245.08191	24.8
246.08435	4.7
254.93617	3.2
263.09186	3.8
275.20132	5.2
276.20547	3.3
279.23203	6.4
293.21170	14.2
294.21597	8.9
297.15109	2.9
305.08951	3.0
323.12817	5.9
341.13745	3.1
345.54913	3.2
347.14948	7.6
397.13596	8.1
400.95367	3.1
479.05072	3.1
487.68802	3.6
495.51840	3.2
497.21689	22.6
515.22760	100.0
516.23492	14.7
743.30237	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	903.4952
Annotation	C21217
Peak:m/z	Relative Intensity
63.48043	1.9
71.01247	31.6
71.53459	2.9
72.99171	2.7
73.02807	3.6
75.29889	2.0
80.96360	4.4
81.03322	2.1
83.01242	4.0
83.04874	3.6
85.02820	6.5
87.00755	4.4
87.65073	1.8
89.02309	20.6
97.02805	6.3
99.00737	2.5
101.02316	20.6
112.65905	1.8
113.02314	12.4
119.03391	3.9
121.91189	1.9
122.22511	1.9
125.02316	10.1
125.09556	3.4
127.11163	6.2
134.51944	2.2
143.03392	4.7
155.04674	2.3
161.04422	6.8
163.11162	5.5
165.12791	2.6
171.10179	4.9
179.05498	7.2
181.12314	2.1
201.11249	72.8
202.11604	4.2
207.10178	3.6
209.11758	100.0
210.12178	4.4
223.77832	2.1
225.11179	6.2
226.11635	3.5
227.12834	16.2
235.08115	8.2
243.12260	2.4
245.08266	3.0
277.21698	79.9
278.22052	11.7
279.22189	2.1
287.07767	2.1
345.85992	2.0
379.12399	11.7
397.13486	72.1
415.14432	15.2
546.02820	2.3
581.24451	2.9
589.24365	3.0
599.25671	2.3
622.58026	2.3
675.35883	4.7
676.35077	3.1
903.48572	22.9
904.47858	2.8
913.11786	2.4
929.50037	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	903.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01766	1.4
69.32695	10.4
76.80494	1.2
87.17570	1.5
88.47348	1.1
121.66690	1.3
135.91182	1.3
145.02934	1.5
169.10117	1.4
171.10175	1.5
174.03131	6.5
175.03885	9.2
201.05504	2.7
201.09224	1.9
206.02080	6.0
227.07066	8.0
245.08151	100.0
246.08484	4.5
263.09229	12.1
277.21729	2.1
291.44730	1.6
293.21201	3.3
309.11880	1.4
351.16196	1.7
453.18942	5.3
495.20193	8.0
513.21271	36.0
514.21594	4.3
573.85321	1.5
741.29004	4.3
903.48669	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	903.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	36.1
71.44177	9.6
78.95763	6.4
82.89841	5.2
85.02859	7.4
87.00760	14.8
89.02308	26.6
101.02309	19.8
113.02319	14.2
119.03351	8.1
179.05540	12.1
221.06485	11.2
283.26392	18.5
303.81885	6.3
337.31552	7.0
397.13708	13.9
498.04941	6.7
559.18695	100.0
560.18951	7.7
577.19818	30.8
843.45599	14.7
903.48608	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	902.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
64.68932	22.0
66.34690	19.6
71.01222	21.3
71.52944	20.8
71.53410	26.9
79.95590	24.5
96.95882	32.6
116.92751	100.0
125.13950	27.7
137.83099	21.1
155.88310	29.9
209.11827	37.0
280.08264	24.1
292.30109	23.1
296.23785	28.6
560.19666	34.8
561.64801	28.1
653.13458	28.8
812.94379	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02271	0.7
65.00207	0.8
71.01257	3.2
71.19125	0.5
71.39587	0.7
73.02818	0.9
82.62186	0.6
83.01256	1.0
85.02831	2.0
87.00799	0.6
89.02312	1.0
93.03338	2.2
96.95885	0.5
101.02306	2.6
103.03868	0.9
107.01279	1.1
108.02062	1.5
109.02856	1.2
111.00704	0.5
113.02307	1.5
117.03347	1.3
117.29349	0.4
119.03373	0.8
119.04882	1.2
121.02849	2.2
121.60619	0.5
123.04414	0.5
125.02324	0.9
135.00887	0.4
135.04433	0.8
136.05206	3.1
137.02350	4.3
149.02367	1.6
149.05965	1.0
150.03087	0.6
150.06801	0.9
151.00314	3.1
152.01044	1.5
153.01836	0.6
159.04442	0.7
160.03929	0.6
161.02385	0.7
161.04396	1.0
163.03943	1.2
164.04639	0.5
165.09164	0.6
167.03377	0.7
169.06450	0.6
181.04967	0.7
189.58203	0.5
190.02530	0.6
191.03403	0.5
195.06561	0.6
195.13861	0.8
205.04993	0.5
220.28073	0.4
223.06168	0.6
224.04834	0.5
225.05516	0.7
227.03564	0.9
235.97556	0.5
239.03465	0.9
240.04126	1.2
241.14409	1.1
243.02802	0.5
255.02997	1.0
265.09351	0.6
268.03732	20.6
269.04526	100.0
270.04861	5.6
271.02487	5.5
271.05640	0.8
272.02951	1.1
281.04337	0.6
285.04016	1.6
286.04584	0.6
293.04633	0.6
299.01947	7.5
300.02557	5.1
301.03439	7.2
302.03860	1.8
311.05566	2.0
312.05887	0.6
327.21640	0.5
385.11292	1.3
413.08603	0.8
447.31357	1.1
463.08273	0.8
464.08969	0.6
493.31665	1.9
505.09720	1.1
559.14154	1.2
577.15552	80.9
578.15887	9.2
681.18231	6.2
682.18506	0.7
779.74469	1.0
780.24664	1.0
830.75531	0.6
831.25732	0.6
851.75586	0.7
859.43726	5.8
903.32135	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	900.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98397	27.9
69.82260	100.0
69.82661	50.0
71.01253	66.0
75.08511	21.0
89.02315	61.6
92.44563	22.4
95.31865	23.7
101.02311	42.7
113.02338	28.8
113.95315	26.2
159.58078	22.7
179.05589	34.7
213.68825	27.2
267.46164	22.6
277.21802	26.6
397.13217	30.6
415.91489	24.5
431.49762	30.7
560.19037	58.2
561.19409	72.4
562.19543	66.6
918.66846	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02262	0.7
63.23618	0.3
65.00203	0.9
83.01254	1.0
85.02834	0.9
89.02299	0.5
91.01803	0.4
93.03334	0.9
101.02317	0.4
103.03851	0.5
107.01258	1.8
109.02843	0.4
113.02270	0.5
117.03360	0.9
119.01265	0.6
119.04913	0.8
121.02838	0.6
122.10766	0.3
123.04432	0.4
124.21765	0.3
125.02338	0.3
129.81813	0.3
134.03688	0.4
137.02312	0.7
145.02762	0.4
146.23607	0.3
147.00729	0.3
149.02307	0.8
150.03111	0.6
151.00250	3.7
152.01111	0.4
155.04825	0.4
159.04408	0.9
160.03899	0.5
161.04443	0.5
163.00262	0.7
163.03894	0.7
164.04700	0.5
165.01825	0.6
165.05420	0.3
167.04900	0.3
169.01233	0.5
169.06468	0.5
171.04463	0.5
173.02382	0.3
175.00284	2.7
175.03905	0.5
176.01080	1.0
181.04866	0.3
182.03645	0.6
183.04419	2.0
185.05998	0.7
187.03915	0.5
190.02614	5.6
191.03380	1.7
193.05022	0.3
201.27736	0.3
205.05009	3.0
207.06436	0.4
211.03963	1.9
212.04597	0.5
213.05365	0.5
215.03476	0.4
223.06088	0.5
227.03415	16.7
228.03789	0.9
229.04964	1.1
239.03465	1.0
240.04288	0.3
241.04993	1.0
243.02998	0.4
255.02951	34.3
256.03488	3.3
257.04535	0.6
268.03793	0.5
269.04468	0.7
271.06305	0.4
283.02454	20.5
284.03220	22.4
285.04007	100.0
286.04379	4.8
297.04059	1.0
298.04724	0.6
299.05582	8.0
300.06082	0.5
325.09348	0.4
326.04257	0.7
327.05032	1.9
353.08789	3.5
367.10471	0.4
441.13901	1.4
489.10339	24.8
490.10767	2.8
531.11395	2.6
600.94684	0.4
652.14514	0.9
653.15039	41.9
654.15411	5.1
695.15857	0.4
857.21185	3.6
858.21777	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
62.80816	2.4
71.01247	100.0
71.52712	4.0
72.99165	7.2
73.02815	17.0
73.74630	2.4
75.00732	3.7
79.32346	2.2
83.01262	15.2
85.02821	36.8
86.94154	2.5
87.00730	8.4
88.08124	2.9
89.02309	73.8
93.03306	6.0
95.01239	8.9
96.40379	2.3
96.95891	3.7
97.02786	2.6
99.00724	4.2
99.53274	2.8
101.02314	60.4
103.03870	7.6
108.02040	7.9
109.02790	4.8
111.00734	2.6
113.02322	45.9
114.05487	3.1
119.03375	33.6
119.04884	11.4
121.02830	5.9
123.04415	2.7
125.02336	7.3
126.70157	2.7
129.01860	4.1
131.03404	3.9
135.04414	5.1
135.06516	8.5
137.02316	3.2
143.03412	13.6
145.02850	3.4
149.02370	6.4
149.04361	2.7
150.03122	6.1
151.00241	8.0
152.01022	7.4
153.01700	2.5
159.02774	2.7
160.03915	5.8
161.04442	27.8
163.03874	2.8
164.04619	4.4
165.01816	4.1
165.05382	3.8
167.03383	3.1
176.01039	3.5
179.05530	34.2
190.02548	4.6
191.03345	5.2
195.06519	5.3
205.04884	3.4
265.09293	5.0
269.04501	5.7
279.10880	4.7
285.04034	4.3
297.11887	37.4
298.12170	4.5
327.25244	7.0
339.12875	3.5
389.21835	5.5
440.88809	3.4
455.18875	3.8
515.32605	4.5
533.33032	5.2
543.58472	3.1
641.98260	2.7
737.21490	3.4
779.46063	36.1
780.46124	4.9
797.46747	16.1
811.63538	2.9
839.47839	62.6
840.48206	13.0
855.45709	5.2
899.37903	8.3
899.51373	6.6
900.39752	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	900.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
67.87383	31.2
71.01255	70.5
71.52636	59.3
80.64823	33.1
89.02305	61.8
96.95882	33.5
97.02757	34.1
98.20151	47.4
99.00832	39.1
101.02319	86.8
121.80821	36.4
162.94400	32.8
178.20581	37.2
209.11659	100.0
211.13326	53.7
246.77261	35.5
291.19550	34.7
341.23215	46.2
353.47455	34.6
354.52863	38.1
360.41986	35.7
397.13150	70.0
561.19122	70.2
562.19244	39.9
900.43994	53.5
922.58990	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
66.43974	1.7
67.90775	1.6
68.20705	1.8
71.01254	100.0
71.52805	2.0
72.99169	2.4
73.02814	3.7
78.29782	1.9
83.01237	2.4
85.02823	7.5
87.00738	6.1
89.02319	19.9
95.01244	2.1
97.02804	7.8
97.98920	1.7
99.00705	4.9
101.02316	20.3
109.06431	5.6
113.02316	9.7
119.03379	6.7
125.02338	7.0
125.09634	2.0
127.11097	1.9
141.01624	3.8
143.03395	2.4
153.09212	1.7
155.10677	2.1
163.11230	4.7
171.10182	48.6
179.05534	4.0
181.12268	3.1
199.09686	11.3
201.11256	19.1
207.10194	24.6
209.11760	3.0
217.07214	2.0
221.06589	2.8
225.11255	16.9
235.08153	7.1
255.23267	87.7
255.25970	4.3
256.23709	4.1
305.08676	2.4
337.72955	2.2
379.12332	5.8
390.20132	1.9
397.13458	43.4
398.13666	2.6
415.14816	11.6
481.56564	2.3
706.21729	2.4
784.18286	2.3
835.46698	2.7
861.48676	11.5
862.48358	2.6
879.49512	4.5
897.50183	23.7
898.50616	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	897.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.9
71.01251	100.0
72.01589	1.5
72.99168	2.3
73.02821	3.5
73.15953	1.0
83.01244	2.4
85.02827	4.7
87.00748	4.3
89.02303	14.8
95.01251	1.4
97.02835	4.6
99.00771	2.9
101.02312	15.2
104.60895	1.2
109.06470	4.5
113.02329	11.4
118.54041	1.1
119.03371	4.7
122.73306	1.0
125.02348	6.9
125.09629	1.7
127.11198	1.5
137.09602	1.1
143.03427	1.9
157.72507	1.1
161.04463	4.3
163.11195	1.8
171.10178	53.1
172.10544	1.6
176.32283	1.0
179.05525	3.3
199.08090	1.6
199.09688	9.5
201.11272	8.6
207.10175	15.1
208.10461	1.0
221.06641	2.2
225.11258	11.1
235.08192	4.7
255.23257	67.8
256.23679	4.0
277.21976	1.1
305.08789	1.4
318.00229	1.1
379.12552	6.8
386.34943	1.3
397.13486	35.8
398.13788	2.0
415.14606	10.2
653.37732	1.3
654.96326	1.1
835.47900	1.3
861.48602	9.2
862.49249	2.8
897.50739	12.5
898.50189	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	897.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	14.3
72.99189	2.8
73.02820	2.4
75.00708	2.5
78.53732	1.8
85.02808	3.0
87.00771	3.5
89.02319	9.3
98.20573	4.7
99.00754	5.4
101.02312	13.8
101.02890	2.5
103.35366	2.2
113.02337	5.3
117.10847	2.1
119.03339	2.7
125.02377	3.4
125.09586	4.4
127.11183	2.9
133.42085	2.0
155.10786	2.5
163.11351	2.3
171.10245	5.4
175.02377	3.1
181.12189	4.9
199.09662	3.0
199.13148	3.0
201.11263	37.0
207.10152	7.8
209.11870	2.4
217.92694	1.9
225.11328	10.3
243.12299	4.2
255.23274	45.5
277.21777	3.0
309.20703	4.5
339.60852	2.0
397.13235	5.5
435.78769	2.4
470.86026	2.2
677.80725	2.4
861.48517	5.7
879.49933	3.7
897.50604	100.0
898.51373	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	895.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	100.0
71.52840	3.0
72.20515	2.3
73.02819	5.5
81.03284	2.9
83.01264	3.4
83.04903	3.3
85.02820	8.3
87.00757	6.4
88.98684	4.3
89.02310	16.5
97.02840	12.1
99.00783	3.1
101.02321	19.8
109.06482	16.4
113.02316	10.5
119.03325	2.7
125.02348	7.3
125.09670	2.5
127.23028	2.5
135.08090	3.3
136.05258	3.0
163.11194	10.1
171.10129	8.4
172.60423	2.3
179.05573	4.6
181.12292	3.7
183.13805	6.3
185.11580	2.9
201.11235	6.1
207.10187	40.2
209.11830	12.2
211.13339	60.0
212.13695	3.6
221.06699	3.5
225.11295	40.5
227.12910	3.5
235.08147	4.3
243.12395	3.0
255.55496	2.5
300.76279	2.7
310.87183	2.8
397.13434	23.2
398.49588	2.6
401.23312	5.6
415.14578	9.6
419.24207	3.2
489.50815	3.2
605.24640	4.9
623.25464	9.0
661.27576	3.3
731.43835	5.7
749.45135	3.5
771.38599	4.3
799.37183	10.2
817.38574	18.8
818.38849	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	895.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19248	2.6
69.03316	4.7
71.01250	100.0
71.52800	4.1
73.02807	7.5
83.01286	3.0
85.02818	8.3
87.00734	6.5
88.98693	3.8
89.02313	17.9
92.74812	2.7
95.01264	4.4
96.95843	3.7
97.02844	7.5
101.02323	15.9
109.06459	16.2
113.02328	14.8
119.03367	5.4
125.02327	6.4
125.77879	3.0
142.02608	3.8
163.11156	13.8
171.10175	7.6
179.05495	4.9
181.12222	2.7
183.13806	7.6
199.13194	3.1
201.11174	4.5
207.10196	48.1
207.12123	1.9
208.10477	2.8
209.11679	10.0
211.13319	79.7
212.13640	3.6
221.06650	2.7
225.11311	27.5
227.12900	7.6
235.08018	3.9
270.04214	3.1
391.24982	3.6
397.13406	31.4
401.23209	7.5
415.14420	10.6
419.24396	5.7
605.24817	3.8
609.27765	3.5
623.25873	4.1
746.54688	3.3
799.37616	12.0
817.38452	24.9
818.39160	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	893.402
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03307	1.3
71.01251	42.8
72.99159	2.3
73.02817	19.1
75.00719	1.2
83.01254	10.6
85.02813	16.1
87.00744	3.5
87.04356	1.4
89.02322	7.3
95.01241	4.4
97.02851	2.5
99.00760	5.3
101.02318	36.4
101.56884	1.0
111.00754	1.2
113.02332	19.7
119.03387	4.0
125.02328	3.2
129.01831	1.0
131.03488	1.1
143.03366	3.1
159.02873	2.5
161.04469	13.2
195.13887	1.3
203.05579	1.1
209.15349	1.9
225.14905	7.0
227.16512	8.5
254.22673	1.1
257.89362	1.2
269.17502	3.5
302.68570	1.2
331.17606	1.1
337.05515	1.4
339.19342	1.0
369.19049	2.0
371.15952	2.0
371.20700	33.5
372.20969	3.8
373.18509	3.7
389.21802	31.2
390.21957	3.0
430.21790	1.3
430.31659	1.0
431.22809	100.0
432.23148	9.2
731.79114	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48920	0.8
69.44349	5.4
71.01250	25.8
71.04886	2.3
72.99192	1.1
73.02818	13.4
78.50449	0.7
81.03315	1.0
83.01266	4.6
83.04900	0.7
85.02811	9.8
87.00744	1.2
89.02328	8.5
95.01276	2.4
95.04881	0.8
97.02835	2.0
99.00761	2.3
101.02316	17.2
109.06458	1.2
111.04377	1.6
113.02324	11.8
119.03372	2.6
121.55761	0.6
125.02367	0.9
127.76153	0.6
131.03377	1.2
132.92778	0.7
134.90488	0.7
137.09586	2.1
138.06764	18.5
143.03375	1.6
149.04443	2.4
150.06816	0.8
151.11166	0.8
152.08302	0.7
153.09113	56.3
154.09445	1.6
154.90134	0.7
161.04454	7.4
163.11200	1.1
165.12724	1.2
192.11499	0.7
203.05505	1.6
207.13858	5.1
221.06602	1.4
225.14900	95.4
226.15247	5.0
237.14926	1.1
331.17435	1.6
352.20950	0.7
352.26099	0.7
353.69360	1.0
369.19131	31.3
370.19482	3.2
373.18619	8.8
374.19296	0.8
387.20224	20.1
388.20673	1.8
390.00357	0.8
429.21255	100.0
430.21616	10.7
448.08185	0.7
473.20374	3.9
669.41431	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03314	0.9
69.46315	5.4
70.16983	0.6
71.01250	32.2
71.04886	2.8
72.99173	1.6
73.02397	0.9
73.02812	13.3
75.00732	0.6
83.01256	3.9
83.04884	0.7
85.02826	10.5
87.00731	2.5
87.04392	1.5
89.02318	10.1
95.01260	2.4
95.04891	1.3
97.02802	2.6
99.00748	2.5
101.01702	1.4
101.02324	18.2
103.03881	0.9
108.10282	0.7
109.06467	1.8
111.04388	1.3
113.02324	13.2
119.03397	3.9
123.08024	1.2
125.02335	2.2
125.05953	1.6
129.01793	1.0
131.03432	1.3
137.09637	3.9
138.05714	1.3
138.06749	17.7
138.07799	0.9
139.07100	0.8
143.03368	2.5
144.83844	0.8
149.04472	1.2
151.07497	1.2
152.01024	0.8
153.09113	55.2
154.09496	1.7
159.02974	1.8
161.04448	10.2
163.11261	0.9
165.12784	1.1
179.05487	1.0
203.05443	1.2
207.13847	6.2
221.06540	1.4
225.14902	100.0
226.15312	5.5
237.14874	1.6
258.52197	0.7
265.09329	1.1
281.14148	0.8
290.93677	0.6
313.16513	0.9
319.11755	0.7
331.17746	3.2
369.19168	31.4
370.19485	2.5
373.18668	7.8
387.20261	19.6
388.20529	2.5
429.21249	97.9
430.21579	9.7
473.20166	4.8
891.29913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	8.3
69.03304	1.5
70.30088	1.1
71.01252	19.7
71.01630	2.2
72.99168	1.3
73.02814	2.5
75.25282	1.1
81.03321	1.3
83.01249	1.4
85.02818	3.9
87.00747	4.2
89.02321	13.4
95.01276	1.7
96.77113	1.0
97.02855	2.3
101.02310	14.7
112.95490	1.2
113.02324	10.8
119.03342	4.0
121.02837	1.0
125.02322	8.1
125.09650	1.8
127.11211	1.1
131.00337	0.9
143.03365	2.5
161.04483	4.1
171.10168	100.0
172.10461	3.2
179.05447	2.8
206.02200	1.8
209.11778	6.9
217.07103	1.8
221.06624	1.2
229.08612	11.3
235.08212	5.8
253.09154	1.3
277.21704	69.5
278.22061	4.5
281.24854	3.6
287.07690	2.1
294.94849	1.2
305.08865	2.6
323.09540	1.2
379.12445	16.8
397.13461	46.6
398.13754	2.0
415.14542	10.8
551.23199	2.9
569.24658	2.0
596.12903	1.3
657.35284	1.5
675.36292	2.8
889.47424	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	890.432
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	1.2
71.01237	0.6
71.32679	0.6
77.38236	0.3
85.02764	0.3
96.95858	0.5
97.80743	0.3
101.29309	0.3
116.92764	0.5
168.04379	0.6
212.03453	4.4
226.29156	0.3
239.03476	1.0
240.02982	29.0
241.03378	1.2
254.04556	2.1
255.05341	52.9
256.05716	2.7
270.07703	100.0
271.08020	5.3
512.07251	0.4
671.99451	0.3
802.49664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	5.4
65.71455	0.8
66.20622	0.8
69.03311	1.2
71.01250	16.3
71.52244	0.9
71.52708	1.6
72.99187	1.2
73.02812	2.7
83.01257	2.1
84.29572	0.7
85.02815	5.5
87.00728	4.1
89.02312	13.1
95.01261	1.7
97.02825	2.9
101.02317	13.2
103.60925	0.8
109.56366	1.0
113.02319	7.8
119.03368	3.0
125.02326	8.1
127.11145	2.1
141.00237	1.0
143.03362	3.0
153.09061	0.8
161.04442	4.3
163.17979	1.2
171.10172	100.0
172.10474	2.7
179.05495	3.7
199.05940	1.0
209.11768	5.0
211.19348	0.8
221.06599	1.1
225.00603	0.9
235.08150	6.4
253.09160	1.0
259.08255	1.2
277.21707	54.4
278.21951	2.5
281.24698	2.5
287.07779	1.9
305.08691	2.9
350.11127	1.0
379.12439	14.2
397.13464	45.0
398.13492	1.3
415.14493	9.3
551.23236	3.4
569.24524	3.9
657.34698	1.2
675.35999	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	1.1
69.03322	13.8
69.34877	3.9
69.35300	3.8
71.01254	12.5
72.99174	1.5
73.02822	6.7
79.01741	2.3
83.01252	2.0
85.02827	6.8
87.00760	1.2
89.02320	4.5
95.01232	3.2
97.02812	5.8
99.00710	1.0
99.92876	1.0
101.02306	7.4
103.47282	1.1
107.01265	8.9
108.02045	1.0
109.60410	1.1
110.67854	0.9
110.71507	0.8
111.00759	1.6
113.02328	4.9
113.46852	1.0
119.03402	1.8
123.00782	2.3
125.02332	17.0
129.01834	1.1
135.00769	65.1
135.23065	0.9
136.01097	2.7
137.09612	1.1
138.06789	1.3
140.95412	1.1
149.02344	2.9
151.00252	3.5
153.09067	2.5
154.20935	1.1
161.04427	4.2
164.04712	1.2
165.05415	1.6
166.02586	3.3
167.03400	100.0
168.03760	3.5
175.00299	1.0
179.07011	1.2
190.02661	2.8
195.06358	1.1
203.05507	1.6
205.05006	3.5
207.13869	1.4
209.04482	2.8
223.06050	2.7
225.14874	15.2
265.06967	1.6
269.04440	1.8
271.02390	1.2
293.80417	1.0
295.10355	2.5
369.19067	6.9
371.09677	3.1
387.20148	5.7
429.21207	22.0
430.21429	2.3
463.08569	1.5
501.16089	13.0
503.05124	1.0
889.33124	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	889.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	1.0
71.01247	2.5
71.51978	1.1
73.02827	1.1
84.75426	0.7
85.02826	6.3
88.86159	0.7
88.89749	0.8
91.91248	0.9
99.04391	2.3
101.02336	0.8
109.06485	12.4
111.04388	6.5
123.08037	2.3
135.08047	20.1
136.08351	0.9
137.09624	12.7
138.06750	2.6
149.09599	5.3
153.09102	6.2
161.09570	0.7
163.11163	8.6
167.10693	8.6
177.09117	20.7
178.09549	1.0
191.10669	5.7
193.12267	100.0
194.12558	3.0
209.91145	0.8
211.13336	41.4
212.13696	1.9
217.12352	4.7
235.13348	25.4
236.13574	1.4
253.14418	24.0
254.14673	1.4
255.12387	2.5
255.62157	0.9
284.31262	0.8
297.13419	16.2
298.13708	1.0
310.66095	0.8
314.96313	0.8
331.87845	0.8
341.08746	1.6
498.17276	1.0
631.03223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69054	0.7
71.01250	21.8
72.99196	1.1
73.02818	7.8
82.95569	0.7
83.01252	4.6
85.02825	12.9
87.04378	4.0
89.02316	3.6
95.01275	1.6
98.20669	1.3
99.00750	3.7
100.65189	0.8
101.02316	17.1
113.02328	8.3
119.03432	0.9
125.05969	1.2
133.10106	1.9
135.04456	2.0
147.04317	1.0
149.05966	2.9
151.00262	1.0
159.02930	2.5
161.04460	6.6
161.05771	1.4
170.23761	0.8
175.07562	3.8
176.08398	1.4
177.09077	5.5
188.04709	1.1
189.05475	1.2
204.07768	2.4
217.12218	1.5
219.10295	1.1
219.13797	1.3
220.10989	4.0
229.12257	2.9
229.18620	1.0
231.10201	7.8
233.11752	0.8
244.11082	1.1
245.08133	2.0
246.12509	1.2
247.13391	13.6
248.13622	1.1
264.09940	1.4
269.04446	0.9
273.11325	1.7
275.16342	1.1
287.16623	1.1
289.16592	33.1
290.16830	1.2
305.17566	18.6
306.17865	1.7
331.14716	1.8
331.17572	7.0
349.16531	100.0
350.16864	7.7
375.20264	5.6
441.00659	0.9
511.21786	22.9
512.22180	3.3
574.35846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	33.0
70.27703	7.5
70.28098	7.0
71.01249	100.0
72.99189	7.5
73.02821	17.9
78.95772	3.6
79.95599	5.2
80.96385	3.2
83.01247	12.8
83.02386	6.2
85.02814	42.0
87.00734	13.7
88.98663	5.2
89.02322	38.1
93.03354	4.2
95.01262	13.3
96.95894	18.0
99.00756	5.6
99.20370	3.2
101.02325	54.5
103.03909	4.3
108.02062	3.8
111.00789	3.7
113.02319	46.8
119.03371	12.1
119.04926	7.4
121.02871	3.7
125.02306	6.0
149.02324	5.1
150.03113	3.5
151.03839	4.3
152.00986	3.7
161.04457	10.7
165.01888	3.6
165.86601	3.8
179.05530	3.6
205.05087	4.7
209.11781	5.0
213.14738	4.4
223.06064	4.0
241.35370	3.3
269.04395	5.8
271.05972	3.7
285.07501	3.8
357.90033	4.0
399.22961	3.0
488.27695	3.8
563.39264	5.3
661.39142	6.5
725.44904	64.9
726.45465	11.3
737.44409	10.2
743.45868	14.0
744.46912	4.6
755.45862	3.7
765.44678	8.3
781.47241	58.1
782.47479	6.6
785.46985	31.9
786.46521	4.8
797.46863	12.0
799.48132	22.2
825.46558	4.6
841.49646	58.5
842.49408	12.3
885.41687	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	887.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	2.3
64.80637	0.9
65.00181	1.0
71.01246	7.6
72.99150	1.2
73.02812	2.0
83.01244	1.0
85.02813	3.6
87.00748	1.7
89.02316	2.1
93.03341	1.7
95.01254	1.2
98.19793	2.6
99.04409	4.3
101.02337	5.6
103.03896	1.0
107.01273	1.9
107.04940	0.8
108.02068	3.3
109.02869	0.9
113.02333	3.6
119.03413	0.8
119.04897	6.6
121.02840	2.3
123.00816	0.9
123.04427	1.2
125.02338	3.8
125.24837	1.0
134.03618	1.1
135.04405	1.4
137.02345	1.7
137.05762	0.9
141.23209	0.8
145.02852	1.9
149.02359	2.2
151.00288	9.7
151.03827	0.9
152.01028	2.8
160.03938	2.0
161.04398	1.6
163.00214	1.3
163.03885	3.2
164.00955	1.0
164.04643	1.1
165.01857	1.7
165.05440	1.2
167.03371	1.2
169.01323	1.4
175.03918	1.4
177.01819	0.9
181.04930	1.3
190.02672	1.8
192.24001	0.9
195.06535	1.9
197.04399	1.0
199.03952	2.7
201.11285	1.0
203.05406	0.9
204.04283	0.9
205.04916	1.3
214.02649	2.4
223.06256	0.9
227.03433	4.7
241.01376	1.6
242.02165	15.7
243.02931	16.9
245.00945	3.9
255.02954	8.9
257.04568	2.4
265.09259	1.0
268.03693	2.4
269.04520	11.6
270.01712	23.8
270.04648	2.2
271.02457	28.8
272.03140	3.9
285.04059	13.7
286.04697	2.1
298.01144	7.2
299.01978	27.8
299.13300	0.9
300.02734	36.4
300.06186	1.8
301.03146	3.3
305.08795	2.5
313.03537	72.5
314.04272	46.8
315.05087	100.0
316.05304	4.7
327.05057	1.9
351.51587	0.9
357.06027	2.3
390.06000	1.2
477.10349	35.7
478.10608	2.5
503.14069	0.9
519.11414	35.2
520.11823	3.4
559.14569	15.0
560.14789	2.9
561.12274	3.2
565.09985	2.7
577.15625	4.5
578.14801	1.1
580.12238	5.7
581.12976	14.2
582.13300	2.4
621.14587	49.1
622.14862	6.0
663.15930	3.3
699.21802	1.1
743.18115	13.8
744.18262	2.9
780.00848	0.9
785.19153	18.2
786.19489	2.4
808.63861	1.0
825.22565	5.4
887.20288	7.3
887.38318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	42.2
71.01235	2.4
71.21456	4.0
71.21783	2.5
80.96385	3.7
87.80741	2.3
96.22079	2.2
145.02780	2.2
151.10713	2.4
173.05978	3.0
174.03146	4.5
175.03813	5.8
183.08029	3.2
187.03934	11.1
199.04425	2.5
201.05498	31.9
202.05804	2.5
206.02180	3.1
209.11613	4.1
227.07071	44.6
227.12848	2.9
228.07442	2.3
245.08144	100.0
246.08463	3.9
259.09787	4.2
263.09222	2.9
277.21973	3.6
347.15094	9.9
391.19153	4.5
417.16962	5.9
435.18188	3.8
477.19119	24.9
495.20081	4.9
663.26294	3.1
723.28143	8.4
734.90137	2.3
885.47742	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	19.0
71.01235	3.6
80.45895	2.2
80.96371	4.1
89.02337	2.5
101.02325	2.3
109.36959	2.1
127.79598	2.9
131.55150	2.3
143.88702	2.4
174.03145	8.3
175.03938	4.2
201.09279	2.4
206.02103	4.3
209.11768	4.9
227.07108	6.8
227.12817	3.7
235.39253	2.6
245.08144	100.0
246.08556	5.4
273.13779	2.2
277.21597	2.3
381.61954	2.4
397.13797	6.7
495.20288	8.0
533.26947	2.3
552.62048	2.7
885.47839	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	883.6298
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98686	1.5
62.76287	0.2
69.03310	0.3
70.83005	0.3
71.01239	1.6
71.31737	0.2
71.52475	0.3
71.53204	0.2
73.02825	0.4
83.04886	0.5
83.06375	0.3
85.02809	0.3
89.02309	0.9
95.04917	0.3
97.02811	0.3
99.08004	0.4
101.02322	0.7
102.62443	0.3
109.06477	0.7
110.03659	0.3
113.02344	0.5
125.09602	0.7
129.32423	0.3
151.11089	0.3
163.11201	0.6
171.10176	20.1
172.10533	0.7
179.05443	0.3
183.10219	0.4
207.10213	2.4
225.11261	6.5
226.11589	0.5
233.22620	0.3
235.08099	0.3
235.20055	0.2
259.20535	0.3
277.21710	30.6
278.22037	2.9
279.23553	0.3
295.22763	100.0
296.23114	7.5
324.66589	0.3
397.13412	1.6
415.14603	0.5
529.35217	0.3
587.39478	0.3
605.23901	0.5
623.25519	1.1
652.89758	0.3
794.30695	0.3
883.45880	1.2
884.47546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98687	14.2
64.10739	1.6
68.99675	1.5
69.03335	2.0
69.18834	17.2
71.01252	100.0
72.78159	1.6
72.99191	7.9
73.02814	24.8
74.02284	1.5
75.00747	2.0
77.70747	1.6
77.90662	1.6
78.95773	1.3
81.26586	1.4
83.01262	12.2
83.60930	1.3
85.02819	40.9
87.00742	10.2
89.02315	64.1
93.03336	2.4
95.01252	9.9
95.44981	1.7
96.95889	5.3
97.02833	3.5
99.00149	1.6
99.00766	6.6
101.02319	50.9
103.03870	7.0
107.04900	3.0
108.02046	3.6
109.02840	1.6
111.00777	2.1
113.02330	39.9
119.03393	23.4
119.04920	6.6
121.02805	3.8
123.04414	1.8
125.02332	4.6
131.03404	4.4
135.04465	1.6
137.02318	4.5
143.03421	7.3
149.02353	3.5
149.04501	1.8
150.03094	3.3
151.00276	4.6
152.01027	4.1
159.02885	3.0
160.03909	2.8
161.02362	1.9
161.04456	16.6
163.03879	2.4
163.11211	2.0
165.05544	1.6
167.03249	2.0
178.50793	1.5
179.05516	21.4
181.04858	2.1
190.02615	2.9
195.06584	2.2
205.05087	2.9
265.09265	5.2
269.04370	3.9
283.10590	1.6
285.04132	2.0
286.07120	1.6
381.43036	1.9
473.35449	1.7
515.21552	3.5
635.41138	2.2
641.40863	2.2
779.45844	55.7
780.45892	9.5
797.46960	34.7
798.46802	7.6
839.48096	41.7
840.47736	7.8
883.38678	7.2
884.39539	2.2
886.83582	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	3.0
62.99076	1.1
69.03345	1.7
71.01250	19.5
71.04880	1.9
72.99166	1.6
73.02809	3.6
85.02814	4.2
87.00745	4.9
89.02307	11.2
91.90118	1.1
95.01260	1.3
95.28806	1.3
97.02824	4.9
97.06453	2.3
98.20563	4.0
99.00759	14.1
101.02322	11.4
109.06471	1.5
113.02312	5.6
119.03378	3.2
121.27886	1.6
123.08021	1.7
125.02319	4.2
125.09625	6.7
142.02592	1.3
143.03302	1.4
160.99338	1.2
161.04446	1.7
163.11180	8.2
169.73526	1.3
171.10176	6.8
179.05553	2.4
181.12268	11.5
197.11719	2.5
199.13322	8.4
207.10199	24.9
208.10654	1.5
212.65259	1.2
221.06622	2.0
225.11267	40.5
226.11510	2.0
229.52426	1.6
235.08205	1.8
235.12170	1.6
243.12279	10.1
255.23268	52.7
256.23676	3.4
379.12305	1.7
397.13342	7.5
415.14603	1.4
605.24249	2.1
623.24799	1.9
861.48315	10.9
879.49561	100.0
880.49689	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	881.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	5.8
69.03312	1.3
71.01254	29.8
71.08102	1.2
71.08407	0.9
72.98431	0.7
72.99162	2.3
73.02816	4.2
80.02565	1.0
80.96379	1.7
81.03323	2.2
83.01247	3.1
83.04896	4.6
85.02806	7.0
87.00752	6.3
89.02314	22.0
95.01256	1.9
95.31756	0.8
97.02828	4.0
99.00741	2.5
99.90564	0.8
101.01707	1.5
101.02324	21.3
111.67340	0.9
113.02325	12.1
119.03392	6.3
123.08016	1.0
125.02327	8.4
125.09590	2.6
127.11179	3.5
131.03378	1.1
133.04913	1.5
135.07996	1.6
143.03395	4.2
157.80164	0.9
161.04456	6.0
163.11108	4.4
165.09125	1.1
165.12695	2.2
171.10164	2.0
179.05551	4.5
183.10114	1.3
199.09616	1.4
201.11250	84.5
202.11620	5.0
207.10184	1.3
209.11761	100.0
210.12090	5.0
221.06569	2.0
225.00639	1.4
225.11232	2.1
227.12846	12.4
229.20598	1.0
235.08214	7.9
253.09155	1.6
255.23262	83.7
256.23645	9.3
287.07703	2.3
293.21127	2.1
305.08701	2.3
309.20685	1.4
323.09799	1.7
379.12445	13.6
397.13470	68.7
398.13962	5.5
415.14594	12.8
450.00620	0.9
581.24622	2.8
589.24835	2.4
599.25110	1.9
607.25824	2.3
635.36639	1.7
653.37482	8.2
654.37909	2.2
766.41742	1.6
837.48718	1.7
881.50232	6.9
882.49329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	1.7
62.09725	1.0
69.03324	5.7
71.01245	16.4
71.52541	1.8
72.99188	2.4
73.02818	3.0
75.04893	1.1
80.90528	1.2
83.01279	1.8
83.04902	1.2
85.02821	3.8
87.00744	2.4
89.02312	10.5
95.01260	1.5
96.74809	1.2
97.02827	1.6
97.65431	1.1
100.79951	1.0
101.02316	10.0
113.02315	3.1
117.08441	1.0
119.03385	3.4
122.87724	1.0
123.08035	1.3
125.02351	2.8
125.09592	2.5
151.11186	1.6
161.04417	2.2
161.09624	2.7
164.67825	1.1
168.67702	1.1
179.05531	1.9
179.10704	4.2
197.09970	2.0
197.11743	32.0
198.11998	1.4
204.15317	1.1
209.11768	15.9
211.07520	3.6
221.06618	1.6
227.12814	1.4
233.75690	1.1
235.08179	1.2
241.10683	2.7
255.23256	40.5
256.23581	3.7
269.24847	9.2
354.22647	1.2
397.13535	7.8
403.98740	1.2
413.06674	1.2
415.14868	1.9
877.47955	100.0
878.48181	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
65.71648	0.1
69.81959	0.5
71.01257	0.2
88.98749	0.1
89.02290	0.2
101.02324	0.2
119.03399	0.1
177.40993	0.1
254.00020	0.1
300.16257	0.2
309.01208	0.1
340.63281	0.1
378.28317	0.1
561.19427	0.2
878.47321	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	875.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	27.5
71.52475	1.2
72.99165	1.4
73.02816	11.5
75.00748	2.0
79.03682	0.7
81.03292	0.9
83.01257	6.0
83.04894	1.2
85.02821	13.1
87.00726	1.7
87.04379	1.8
89.02317	7.8
91.01762	3.1
93.03318	7.3
95.01264	2.5
96.95878	0.7
99.00753	4.2
101.02320	26.6
102.02683	0.9
111.00758	1.1
113.02329	14.1
119.01267	1.2
119.03395	1.8
119.04871	1.3
121.02831	5.9
125.02335	4.0
125.67023	0.7
136.01523	1.2
137.02336	17.2
137.09566	1.1
143.03398	2.7
149.02371	0.9
149.04424	0.8
151.00252	1.2
151.03906	37.8
152.04312	1.2
153.01840	1.1
159.02950	1.5
160.04021	0.9
160.60059	0.7
161.04457	12.0
167.14336	1.0
179.05464	0.8
184.58252	0.8
191.45618	0.8
195.13850	1.5
203.05453	1.5
205.05125	0.8
209.15350	1.0
225.14888	5.7
227.16435	6.2
237.14902	1.9
239.16362	0.9
255.03011	1.2
265.09326	0.9
267.95941	0.8
269.04523	1.2
269.17554	2.4
271.02435	1.7
271.15533	1.8
277.09369	1.0
281.06635	5.5
300.02655	3.7
301.03339	0.9
303.40784	0.7
323.07861	3.5
353.15433	0.9
369.19019	1.2
371.15887	1.4
371.20685	39.7
372.21039	2.3
389.21768	40.6
390.22543	3.5
429.21347	1.0
431.22800	100.0
432.23132	9.7
457.13327	1.8
503.09531	0.7
505.09689	5.3
537.86786	0.8
612.33710	1.0
736.96381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99175	17.0
61.98700	1.2
71.01247	0.6
71.52568	0.2
73.02837	0.2
83.01257	0.3
85.02827	0.4
88.98675	100.0
89.02293	0.4
89.99027	0.9
93.03352	0.4
95.01247	0.2
101.02306	0.5
103.03867	0.2
107.01282	0.3
107.05104	0.2
108.02074	0.3
113.02324	0.3
114.25767	0.2
119.04915	0.6
120.99573	0.2
121.02863	0.3
125.02331	0.3
137.02278	0.3
145.02820	0.2
149.02319	0.4
151.00232	0.8
152.01054	0.3
153.01936	0.2
154.94270	0.2
160.03954	0.3
161.04378	0.2
163.03876	0.3
177.01921	0.2
179.03369	0.2
190.02612	0.3
205.04964	0.2
241.14401	0.2
269.04456	0.3
271.06100	0.5
285.03992	0.2
579.16595	0.2
785.23517	0.7
786.24487	0.3
875.35284	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	3.0
69.77454	13.2
71.01251	43.5
72.99178	3.1
73.02826	16.5
77.27966	1.9
83.01249	9.1
85.02805	15.5
87.00766	4.0
87.04377	5.2
89.02322	22.4
95.01232	3.6
99.00790	4.6
101.02315	28.2
113.02323	26.9
119.03411	5.0
131.03427	2.1
143.03442	2.2
149.04512	4.3
161.04456	9.5
187.13290	16.5
221.06604	3.2
241.14400	3.3
272.98343	2.2
274.74753	3.0
275.78372	2.3
297.66693	2.4
305.67041	2.3
315.05237	3.9
331.17603	67.4
332.17914	5.1
339.29840	2.2
349.18613	32.9
352.10458	3.0
391.19717	100.0
392.19943	9.5
432.08759	2.4
593.45630	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	871.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	14.2
69.03310	2.0
71.01253	65.9
72.01605	1.4
72.99180	5.9
73.02820	13.3
75.00767	2.0
79.95612	1.4
80.96416	1.9
83.01261	8.2
83.04915	1.3
85.02826	26.7
85.99948	5.4
87.00751	11.8
88.98662	2.2
89.02316	48.6
93.03345	3.2
95.01251	6.5
96.74924	1.1
96.95886	5.9
97.02839	3.0
99.00752	5.3
100.99673	1.2
101.02319	41.7
102.02676	1.6
103.03872	2.3
107.01272	1.2
107.04894	2.3
108.02036	3.0
109.02833	2.0
111.00741	4.2
113.02326	28.9
116.92746	4.2
117.92815	1.3
119.03395	23.6
119.04877	5.2
121.02853	4.6
121.91951	1.3
123.04464	2.3
125.02303	3.4
128.03413	1.3
129.01826	2.7
131.03349	3.1
134.03625	1.3
137.02312	1.5
143.03421	6.9
149.02341	3.8
149.04457	2.5
150.03085	3.0
151.00241	4.0
151.03929	1.6
152.01039	3.3
153.01854	1.6
159.02869	4.0
161.02339	2.1
161.04489	16.7
163.03896	3.5
164.04755	1.7
165.01862	1.2
165.05463	3.0
171.25113	1.3
177.01772	1.3
179.03362	1.3
179.03743	1.4
179.05531	22.2
180.04150	1.9
181.04980	2.7
190.02565	3.6
191.03423	1.6
195.06512	2.1
205.04956	3.9
209.04794	1.6
223.06053	2.2
265.09262	1.7
268.03510	1.1
269.04443	4.0
269.11884	1.6
271.05920	1.4
295.10458	1.5
321.22031	1.3
373.76443	1.4
437.54855	1.4
451.32346	2.4
452.32352	1.5
487.34454	2.7
503.19965	1.3
613.36963	3.2
631.38995	1.8
649.39636	29.7
650.39709	4.5
721.41425	3.9
734.18030	1.4
811.44855	100.0
812.45001	22.0
813.92389	1.3
871.48450	13.0
872.47278	2.1
879.86090	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37176	8.7
71.01250	10.6
73.02801	3.9
74.71677	0.9
83.01237	2.6
85.02813	4.9
87.00739	1.1
89.02296	1.5
93.03344	1.5
99.00716	1.8
101.02306	14.3
113.02300	4.3
123.04396	2.9
135.04391	8.7
136.05878	1.0
137.02266	1.0
143.03293	1.4
149.05949	1.2
151.07547	38.7
152.07822	1.3
161.04427	3.8
163.07549	20.3
172.79047	1.2
173.04466	1.3
177.05490	9.2
195.06493	2.4
206.08008	1.1
207.06523	3.6
215.08958	1.0
223.09778	1.0
235.11807	17.4
239.12839	6.0
247.09804	1.3
253.14330	1.1
262.20953	1.0
265.10770	8.2
275.55408	1.1
277.12970	11.9
283.11896	5.1
297.13382	4.1
341.19623	2.5
342.34210	1.1
367.17471	1.8
385.18631	100.0
386.18896	8.9
470.60803	1.1
547.15521	1.9
547.23907	39.5
548.24182	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	870.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
62.98389	0.2
69.81455	0.3
69.81882	0.6
71.01234	0.2
73.29906	0.1
79.95502	0.2
91.81439	0.1
98.20628	0.2
113.02326	0.2
120.47533	0.2
147.36176	0.2
149.76859	0.1
171.10152	0.9
172.10544	0.4
173.10753	0.2
203.84920	0.2
255.23302	0.5
256.23685	0.4
397.13623	0.3
398.13910	0.2
399.13980	0.2
446.08228	0.2
583.90863	0.2
656.97595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36530	1.7
61.98709	8.3
71.01251	12.8
80.96392	1.7
85.02830	4.1
87.00754	5.1
89.02316	14.3
96.80435	1.5
97.02835	3.1
101.02325	11.0
113.02311	6.0
119.03364	3.0
125.02337	6.9
125.09620	1.7
126.02648	1.5
143.03442	1.8
161.04462	3.7
163.28378	1.9
171.10178	100.0
172.10493	3.4
179.05531	3.9
212.35890	2.0
217.07162	2.4
235.08168	6.4
255.23276	60.7
256.23691	4.4
277.21585	3.1
344.51596	2.3
379.12427	15.9
397.13504	43.0
398.14096	2.7
415.14502	6.6
465.23746	1.7
508.89020	2.2
551.23340	5.4
569.24603	5.5
635.35956	3.4
637.30048	1.8
653.37115	4.5
783.42603	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	867.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55067	0.4
69.03323	11.6
69.35438	1.1
69.35852	2.3
71.01247	2.0
73.02833	0.4
75.00737	0.5
79.01749	2.2
81.03326	1.6
83.04888	2.2
85.02824	1.4
85.78311	0.4
87.00746	0.5
89.02309	0.6
95.01270	1.8
97.02826	7.3
100.69139	0.4
101.02319	1.2
103.03870	0.4
107.01267	10.4
107.01973	0.8
108.02143	0.5
111.00753	0.7
113.02333	1.1
121.02835	0.8
123.00768	2.9
125.02332	18.4
125.07076	0.5
135.00771	64.2
136.01147	1.9
137.02271	0.6
151.00264	1.7
152.00999	0.8
161.04469	0.6
166.02634	3.6
166.04788	0.5
167.03406	100.0
168.03783	3.7
173.00838	0.5
205.01608	0.4
205.03487	0.5
209.04517	2.3
225.16090	2.0
227.03471	0.6
255.02965	0.8
271.06027	1.3
272.06168	0.5
300.02789	0.8
311.07822	0.5
359.20822	0.9
371.09790	5.1
391.10318	0.4
393.13989	0.9
415.12158	1.0
419.10486	0.4
429.21014	0.5
433.31592	0.7
447.09384	0.7
451.32864	21.8
452.33005	2.7
463.08917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	1.4
67.01753	4.3
68.99684	0.9
71.01257	2.1
71.52239	0.2
71.52631	0.4
72.99177	0.4
73.02779	0.3
73.80154	0.2
75.59591	0.2
78.95773	0.3
81.03324	0.4
83.01254	0.3
83.04876	0.3
85.02814	1.5
85.77631	0.2
87.00726	0.3
89.02309	1.3
92.02537	0.4
93.03334	5.6
95.01259	2.3
95.73084	0.2
96.95871	0.6
99.00757	0.3
99.88928	0.2
101.02307	1.3
103.03903	0.5
107.01283	0.4
108.02055	2.9
110.22736	0.2
113.02320	0.8
119.03378	0.4
119.04900	2.6
121.02837	100.0
122.03161	2.8
123.00774	0.4
123.04404	0.3
125.02331	0.3
134.97487	0.3
135.04411	6.3
137.02322	0.6
137.05983	0.3
147.04433	2.0
149.02382	0.5
150.03058	0.5
151.00220	0.4
152.01044	0.6
161.04533	0.3
163.03918	0.6
164.04675	0.4
165.05473	28.9
166.05792	1.3
173.09628	0.7
179.05618	0.5
189.12700	0.3
191.03381	0.3
195.06494	0.4
200.03831	0.2
220.85707	0.2
223.05989	0.3
233.11771	27.5
234.12190	1.6
235.09705	6.4
245.08069	0.3
269.04593	0.5
277.10788	14.0
278.11191	1.0
295.16943	0.2
312.65491	0.2
339.61047	0.2
341.10825	0.4
347.18686	0.3
358.06696	0.2
368.07617	0.2
415.21133	0.8
457.22510	0.7
459.20627	0.5
498.28674	0.3
501.21280	14.5
502.21707	1.6
545.20422	0.6
823.42609	0.8
866.50647	0.4
867.40057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	0.8
69.03330	1.4
69.55386	1.3
69.55809	1.3
71.00849	0.8
71.01250	16.7
72.99193	1.6
73.02811	2.4
75.00732	0.4
80.02556	1.0
81.03335	2.0
83.01240	1.9
83.04892	4.3
84.02035	0.8
85.02821	4.1
87.00755	4.7
87.04362	0.4
89.02314	14.9
93.11529	0.4
95.01277	1.5
95.04889	0.8
96.76552	0.4
97.02829	3.9
97.34843	0.4
98.20551	0.5
99.00755	0.9
101.02319	13.2
110.80524	0.4
111.04395	0.4
113.02322	7.4
119.03374	4.1
121.02847	0.9
125.02334	6.1
131.03442	0.6
133.04951	0.6
135.08089	0.6
139.03900	0.9
141.01845	0.4
143.03426	2.4
148.95287	0.4
161.04414	3.1
163.11198	3.9
165.12772	2.1
179.05522	4.2
181.12265	0.7
191.10686	0.8
199.06056	0.4
209.11765	100.0
210.12111	4.0
217.07057	1.1
221.06715	1.4
225.11127	0.5
227.12827	12.7
228.13216	0.8
235.08183	4.8
253.09315	1.0
255.23267	54.9
256.23624	3.4
259.08127	0.7
263.07654	0.7
269.24905	0.7
277.09119	0.4
287.07779	2.1
305.08771	1.9
305.86121	0.4
323.09741	1.3
379.12415	8.0
380.12872	0.5
397.13455	39.4
398.13821	2.8
415.14499	9.4
418.57559	0.4
474.38028	0.4
589.24878	0.6
603.05884	0.4
607.25739	0.9
635.36761	0.4
653.37646	1.5
781.40900	0.4
815.00220	0.4
863.49139	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	5.4
69.46716	1.9
69.47149	2.2
71.01249	3.6
78.91757	2.0
85.02805	1.5
87.00697	0.6
89.02303	1.8
93.03328	0.7
101.02327	1.6
107.01260	0.5
108.02016	0.7
109.02846	0.7
111.00811	0.6
113.02308	1.4
114.79038	0.5
119.03343	0.5
119.04885	1.2
125.02332	0.5
130.32771	0.5
137.02342	0.8
147.04482	0.5
149.02318	0.6
151.00275	0.7
152.01012	0.9
161.02342	7.8
161.04430	1.1
163.03906	1.0
174.03146	1.7
175.03868	1.3
175.11682	0.5
176.04697	50.0
177.05055	2.8
179.05531	1.1
188.89105	0.5
189.05447	1.1
190.02451	0.6
191.07056	52.6
192.07396	2.6
200.04666	0.7
201.01851	5.4
202.02631	1.2
203.03418	6.7
217.04993	14.0
218.05499	0.7
220.03766	0.8
235.06065	100.0
236.06384	4.4
259.06091	2.5
265.09155	0.5
277.07147	1.8
359.44650	0.5
379.10413	1.3
397.11365	49.0
398.11679	3.4
439.12439	0.8
534.32306	0.6
569.59155	0.5
703.22382	4.0
763.21472	0.7
865.27710	6.9
865.42310	0.5
866.28156	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01569	3.3
61.98700	22.1
67.01773	1.6
69.53240	4.8
69.53674	4.1
71.01218	1.6
80.32533	1.3
83.04873	1.4
96.95895	1.2
174.40283	1.2
183.06706	1.2
203.35109	1.1
224.75511	1.3
239.02730	1.3
273.24124	1.1
365.20813	1.3
381.20514	3.1
391.19019	2.2
409.20108	2.1
435.18109	6.4
495.20209	100.0
496.20517	14.1
729.49304	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	863.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	20.2
63.31936	1.5
69.03311	2.2
71.01247	10.3
71.52385	1.4
71.61936	1.5
78.09908	1.4
81.03328	1.9
83.04905	3.4
89.02303	1.9
97.06457	13.6
99.37254	1.6
101.02282	2.3
105.10157	1.4
111.08028	4.6
125.09600	2.2
148.32440	1.5
149.09547	2.1
151.11174	11.8
153.12744	2.0
155.10661	2.8
163.11186	5.6
165.12769	19.7
179.10638	7.1
181.12248	17.4
182.12630	1.6
191.10651	12.6
191.14345	4.1
197.11801	1.6
209.11757	100.0
210.12042	6.4
211.13322	4.9
227.12814	4.1
239.09206	2.6
245.19075	17.7
255.23227	5.1
263.20157	5.7
279.19522	1.8
289.18109	16.5
307.15677	3.0
307.19101	48.1
308.19473	4.4
397.13376	4.0
405.94702	1.6
778.19623	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	863.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01583	1.6
71.01251	14.5
71.52530	1.1
72.99168	0.9
73.02816	6.0
83.01247	2.7
85.02819	9.4
87.00767	1.2
87.04387	1.8
89.02319	2.4
95.01260	0.8
99.00739	2.6
101.02317	15.9
103.03912	1.1
111.00793	1.3
113.02325	7.1
118.93174	0.6
119.03376	0.8
119.04883	0.8
121.02801	0.8
125.02317	0.7
137.02342	1.6
137.05949	1.2
141.81447	0.6
143.03429	0.9
147.04416	2.6
150.03047	0.8
151.03897	0.7
152.01198	0.7
159.02893	1.4
160.03969	1.7
161.04457	7.0
165.05438	0.8
175.03918	55.2
176.04306	2.4
179.03532	0.8
187.03909	1.0
190.10895	0.7
191.01828	0.8
200.49376	0.6
203.00162	0.5
206.20775	0.6
227.07079	2.3
237.14775	0.8
245.08167	8.5
248.53575	0.6
249.13382	30.1
250.13731	1.1
263.09222	100.0
264.09555	6.9
276.44583	0.6
281.10202	1.0
281.13251	0.8
285.03735	0.7
291.14474	17.2
292.15002	0.8
300.02386	0.7
335.13467	3.2
336.13843	0.6
863.29907	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	863.334
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02242	0.4
65.00202	2.8
71.01243	1.2
71.11815	0.5
71.12156	0.6
73.02814	1.2
74.56075	0.3
83.01254	1.7
83.04900	6.4
85.02821	0.7
88.18768	0.3
89.02313	0.4
90.23132	0.3
93.03329	2.1
95.04876	0.4
97.06463	4.9
101.02322	1.0
103.03881	0.3
107.01268	6.4
108.02089	0.8
109.02868	0.4
113.02327	0.7
119.04906	11.3
123.08023	0.7
125.02316	1.4
136.01593	0.6
137.02307	0.5
137.09636	2.0
139.11195	0.4
142.62157	0.3
143.04991	0.4
145.02824	1.3
147.08125	0.4
149.02362	0.6
149.09650	1.2
151.00267	32.4
151.11195	0.5
152.00746	0.9
160.03951	0.5
161.05978	0.4
163.03885	0.7
163.11186	8.1
164.01009	0.5
164.11539	0.9
165.01866	1.2
165.12767	1.0
167.14374	0.4
169.01328	0.8
175.00276	0.9
175.03889	0.5
177.01848	2.3
177.12743	1.1
179.10634	0.5
179.14314	4.4
187.03949	0.6
193.01328	1.0
195.13832	19.2
196.00191	0.4
196.14172	1.2
216.89009	0.4
223.13350	15.0
224.13701	1.4
227.07074	0.7
229.05150	0.5
235.02357	1.3
236.10889	0.4
239.12851	0.4
241.14406	100.0
242.14746	8.4
243.15080	1.2
255.02921	1.4
256.03339	0.8
265.09113	0.4
268.03683	1.2
269.04517	1.3
270.05188	0.4
270.31274	0.4
271.06094	23.5
272.06363	2.4
283.15482	30.0
284.03259	2.6
284.15848	3.7
285.03848	4.0
285.15982	1.3
286.04169	2.0
287.04654	0.9
313.07092	1.1
331.44446	0.4
353.12503	0.4
361.13092	0.4
431.09604	1.9
459.11548	5.1
480.31351	0.4
489.10333	3.1
490.10654	2.9
491.10806	3.2
579.17139	96.3
580.17493	12.8
766.58661	0.4
863.31226	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
69.26825	0.5
69.27256	0.6
71.01266	0.2
79.55795	0.1
80.36140	0.1
85.02835	0.2
89.02319	0.2
100.57455	0.1
147.04305	0.1
149.02342	0.4
151.00328	0.3
164.04700	0.2
223.06114	0.3
256.02402	0.1
271.04950	0.5
285.07660	1.4
286.07285	1.0
421.50616	0.1
432.61609	0.1
593.19000	0.4
726.63934	0.1
799.24072	0.8
800.24335	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	861.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66161	2.6
73.02802	0.5
83.04903	3.8
85.84238	0.4
93.03346	0.9
97.06461	4.3
101.02299	0.8
101.38149	0.4
103.03862	0.4
107.01251	1.0
108.02039	1.6
109.02853	0.9
121.06442	0.4
123.00854	0.4
132.02028	0.4
135.00778	0.7
137.09599	1.4
149.09601	1.1
151.00288	0.9
151.11205	0.7
152.01088	1.8
153.01770	0.5
154.60165	0.4
163.00316	1.2
163.11188	7.3
165.12746	0.5
177.12782	1.2
179.14311	4.1
183.04305	0.5
185.05920	0.5
187.03949	0.8
195.04433	0.4
195.13828	16.6
196.14133	1.2
199.03841	0.5
211.03857	0.9
213.05577	0.7
223.13339	15.6
224.13618	0.9
227.03412	8.8
228.04002	0.5
229.05037	4.1
230.05081	0.5
239.03407	0.4
240.04182	0.5
241.14406	100.0
242.14670	5.3
255.02954	21.6
256.03534	2.3
257.04565	2.2
267.02945	0.8
269.04459	2.9
270.04874	0.8
283.15488	44.3
284.03238	40.7
284.15875	2.1
285.04004	42.7
286.04382	2.8
454.10031	0.5
489.10352	62.0
490.10635	5.0
552.11938	0.5
553.13037	0.5
577.15649	1.5
598.59125	0.5
756.04578	0.4
775.66681	0.4
861.30054	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	860.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
62.98423	0.1
70.81590	0.1
71.01261	0.5
73.02798	0.1
78.54211	0.1
83.01265	0.2
85.02818	0.3
86.55989	0.1
87.87977	0.1
89.02338	0.3
93.03371	0.1
93.29771	0.1
101.02338	0.3
107.04928	0.1
107.36259	0.1
108.02054	0.1
111.00763	0.2
113.02348	0.2
119.03352	0.1
119.04924	0.2
121.02853	0.4
134.03651	0.1
147.04427	0.1
149.02348	1.0
150.03104	0.1
151.00273	0.2
152.01091	0.2
153.01862	0.2
160.03946	0.2
161.04562	0.1
164.04683	0.9
165.01816	0.1
171.10248	0.1
175.00314	0.2
175.03868	0.1
179.03406	0.1
190.02689	0.5
195.06526	0.1
198.85123	0.1
205.04973	0.6
208.03770	0.1
223.06087	1.5
241.14449	0.1
268.03745	1.1
269.04535	0.2
271.06149	0.1
283.06073	1.5
283.08759	0.1
284.06454	0.1
285.03979	0.1
289.14554	0.2
327.21823	0.4
384.52863	0.1
472.13358	0.1
498.25177	0.1
797.22968	1.4
798.23767	0.3
829.87177	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	859.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	0.9
64.59541	0.1
69.31152	0.8
70.58005	0.1
71.01257	0.6
73.02803	0.2
73.20637	0.1
82.09697	0.1
82.87038	0.1
83.01231	0.1
85.02827	0.4
88.98666	0.2
89.02316	0.2
93.03312	0.2
96.95883	0.2
97.80495	0.1
98.19833	0.2
101.02304	0.3
108.02054	0.3
108.37328	0.1
109.02831	0.1
113.02322	0.3
119.04891	0.3
119.92783	0.1
121.02813	0.1
125.02381	0.1
130.04146	0.3
131.04962	0.1
132.75731	0.1
135.04434	0.1
137.02295	0.1
144.05281	0.1
145.02844	2.0
146.03571	0.3
147.04378	0.3
149.02362	0.1
151.00304	0.2
152.01004	0.1
161.02309	0.2
163.07542	0.3
165.05373	0.1
167.03497	0.1
173.02350	1.1
173.09615	0.2
174.03128	10.7
175.03908	4.0
175.07417	0.1
176.04388	0.1
178.02620	0.4
179.05461	0.1
183.08063	0.4
185.06052	0.2
186.06812	0.3
195.06598	0.1
199.07552	0.9
201.09146	1.6
202.09473	0.1
205.04982	0.1
206.02136	7.3
207.02457	0.4
207.06519	0.3
212.04698	0.2
217.08504	0.1
227.07076	5.3
228.07434	0.3
245.08145	100.0
246.08484	6.4
265.10938	0.4
268.03683	0.1
269.04483	0.2
271.05911	0.1
284.03159	0.1
366.61005	0.1
367.17728	0.5
406.31714	0.1
640.01892	0.1
660.02539	0.1
859.41791	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	859.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01573	5.1
63.57402	1.6
66.76692	1.5
71.01250	51.4
72.99164	3.6
73.02821	18.5
75.00740	2.9
79.52372	1.7
80.74529	1.5
83.01271	8.1
85.02823	31.1
85.99992	1.8
87.00741	3.0
87.04370	2.0
89.02310	7.8
93.03334	3.7
95.01266	5.2
97.02738	1.9
99.00725	7.8
101.02319	42.2
111.00768	2.3
113.02320	23.3
117.60751	1.7
119.01243	2.6
119.03382	2.7
119.04870	1.9
121.02848	3.3
129.69611	1.6
135.04387	2.8
135.06441	2.7
137.02338	2.4
143.03389	3.4
149.02321	12.2
151.00217	3.0
153.01784	2.1
159.02849	4.8
160.03941	2.5
161.04453	21.9
163.03896	2.7
164.04718	11.2
165.01799	3.4
165.05489	1.8
166.96614	1.6
167.03394	2.3
175.00269	15.2
175.03859	1.8
179.07066	1.7
179.10760	2.3
181.04947	1.7
186.73863	1.5
190.00981	3.0
190.02632	43.2
191.03281	3.9
205.05000	40.1
206.05331	2.5
223.06050	15.3
224.06401	1.9
239.16400	5.9
265.09293	3.1
269.10281	48.3
270.10440	3.2
287.15131	1.9
305.13901	5.9
311.11322	26.1
312.11780	2.8
347.17297	3.5
503.17670	100.0
504.18411	10.2
536.37897	1.7
697.21741	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	859.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76843	0.2
61.98690	0.3
63.02287	0.8
65.00224	0.8
71.01254	1.8
73.02833	1.0
75.00755	0.3
83.01276	0.8
85.02834	0.9
87.00744	0.2
89.02319	0.7
89.57215	0.2
93.03332	4.2
95.01281	0.4
97.02843	0.5
99.00798	0.3
99.04404	0.4
101.02351	0.8
102.11292	0.2
107.01278	1.1
108.02082	0.7
109.02867	0.6
111.00764	2.3
113.02304	0.6
117.03342	3.2
118.21479	0.3
119.04922	0.8
121.02868	0.5
123.04447	0.5
125.02332	0.6
134.03621	4.8
134.89568	0.2
135.04401	0.3
136.01585	0.6
137.02354	3.4
143.03395	1.5
149.02335	2.5
149.05998	0.6
151.00275	2.2
151.03815	0.4
152.01068	1.0
153.01828	0.4
153.09097	0.2
159.04430	0.7
160.03979	0.4
161.02394	0.6
161.04492	0.4
163.03889	0.3
165.05547	0.3
167.03371	0.3
169.01370	1.8
178.02612	0.5
179.03461	1.3
181.06506	0.4
183.04453	0.5
190.02641	0.5
193.04979	7.6
194.05379	0.3
196.05286	0.3
197.06042	0.5
201.05511	0.8
223.05969	0.3
225.05540	1.4
227.03464	1.0
239.03426	0.4
239.05614	0.9
240.04314	0.4
241.14406	0.9
265.09164	0.3
267.03085	0.3
268.03757	12.0
269.04532	100.0
270.04880	6.0
281.04120	0.4
281.06818	0.7
283.06036	0.4
285.04178	0.4
288.55042	0.2
293.04517	0.3
311.05499	1.5
379.69083	0.3
413.08780	1.0
446.26477	0.3
478.69824	0.3
546.76550	0.3
551.11981	2.0
577.15546	15.1
578.15790	1.6
584.83258	0.3
859.22760	17.1
860.23181	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	859.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	1.1
63.02264	0.5
65.00199	0.9
69.03304	0.5
71.01248	5.3
72.99165	0.6
73.02814	1.6
74.21470	0.4
75.00732	0.8
83.01260	1.8
85.02828	4.6
87.00739	0.6
89.02314	2.1
89.02781	0.4
93.03329	3.1
95.01256	1.0
96.35685	0.4
96.95882	0.6
97.02837	0.6
99.00737	0.5
101.02322	3.3
101.05949	2.3
103.03888	2.6
107.01292	2.0
107.04897	0.4
108.02039	1.8
109.02843	1.3
111.00755	0.9
113.02321	2.4
115.07520	1.8
117.03358	1.4
119.03387	0.6
119.04929	1.6
121.02831	1.3
122.03699	0.4
123.00761	0.5
123.04414	1.4
124.01516	0.4
125.02322	1.2
134.03606	0.8
135.00777	0.7
135.04318	0.6
137.02336	1.4
143.03430	0.5
143.04941	0.8
145.02852	0.9
149.02350	1.1
150.03172	0.7
150.05498	0.5
151.00290	4.2
151.03897	0.6
152.01041	2.5
153.01816	1.5
154.04192	0.5
155.04915	0.4
159.04391	1.0
160.03943	0.7
161.02422	0.5
161.04453	1.2
163.00252	1.1
163.03870	1.0
165.01816	1.4
165.05446	0.6
167.03433	0.5
167.04933	0.6
169.01340	0.8
169.06512	1.3
171.04411	0.7
174.03053	0.5
175.03940	0.8
178.99780	0.9
179.03380	0.5
179.05574	2.0
180.04163	0.9
183.04454	2.4
185.06009	1.6
187.03935	1.9
189.05511	0.9
190.02658	0.7
191.03381	0.7
193.05031	0.6
195.04385	0.4
195.06566	1.1
199.03835	0.7
211.03963	3.0
212.04523	0.6
213.05479	1.4
214.02722	0.5
215.03433	0.5
223.06096	0.8
227.03455	15.3
227.06888	0.6
228.03789	1.4
229.05029	3.8
230.21146	0.4
239.03397	1.1
241.04997	1.0
241.14415	1.7
243.02992	0.6
245.08244	1.0
255.02963	50.7
256.03485	4.5
257.04578	2.7
265.09354	0.7
267.02893	0.6
269.04510	2.4
271.06171	0.5
271.13470	0.8
277.54376	0.4
281.04465	0.4
283.02460	52.0
284.03220	40.5
285.04019	81.8
286.04388	6.5
287.12869	0.5
297.04037	0.8
299.05664	0.5
323.09750	2.9
326.04221	0.5
327.05170	2.3
341.10840	2.6
349.15057	8.1
367.10519	0.5
383.11908	0.7
431.17010	2.9
449.18085	6.6
473.18088	0.5
491.19211	3.6
492.19498	0.6
550.11267	2.0
550.33447	0.5
551.11719	4.9
552.12195	1.1
568.09894	0.4
593.15082	100.0
594.15430	12.9
594.24744	0.6
611.25793	0.4
635.15930	1.1
643.24109	0.5
650.15234	0.5
755.27728	1.2
859.21765	11.3
860.23059	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	855.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98688	7.0
67.19211	1.0
69.03302	1.1
70.09179	4.4
71.01252	18.8
72.55502	0.8
72.99180	1.3
73.02820	6.6
83.01237	4.3
85.02818	8.4
87.00729	2.3
89.02319	3.8
92.71928	1.0
95.01256	2.0
96.95888	2.6
97.02803	1.0
99.00772	2.1
101.02317	12.8
105.85118	1.0
111.00726	1.0
113.02309	12.3
113.13058	1.1
119.03458	1.1
119.04858	1.3
125.02299	2.0
143.03374	3.6
161.04440	2.0
203.05495	1.4
238.55302	1.1
241.14375	2.6
341.23285	1.3
445.27380	1.5
445.33228	24.5
446.33511	4.7
459.34735	2.1
589.37341	4.4
607.38458	100.0
608.38806	15.6
621.39984	3.3
622.40094	1.0
649.39575	37.2
650.39453	6.7
691.41040	1.9
811.44159	2.4
812.46295	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72915	0.6
60.01583	1.4
67.60938	0.6
69.03315	2.2
69.37569	1.5
69.37983	4.5
70.70170	0.6
71.01249	68.1
72.99177	3.0
73.02815	100.0
74.03147	1.3
75.00718	1.5
79.34534	0.6
83.01251	29.7
84.01589	0.9
85.02817	10.0
87.00742	1.7
89.02319	16.1
93.03333	9.6
93.03870	1.3
95.01261	1.9
97.02801	1.2
99.00684	0.8
101.02318	89.4
102.02646	1.3
103.03877	7.5
108.02000	0.9
113.02325	27.7
114.02676	1.0
117.01814	0.6
119.03382	11.9
119.04907	1.2
121.02781	1.0
125.02322	2.9
127.17056	0.6
131.03397	9.0
135.04448	0.9
136.01530	3.4
137.02332	21.7
138.05479	0.9
143.03407	11.6
149.02428	1.6
149.04451	20.6
151.00281	1.0
151.03894	1.2
155.03406	2.5
161.04459	38.3
162.04820	1.2
163.04053	0.9
164.04637	0.9
179.03394	10.0
179.05682	0.7
191.01886	1.0
201.63132	0.7
203.05537	5.7
209.04413	1.7
221.04533	1.4
221.06602	17.3
223.06032	1.7
239.05574	4.5
255.48776	0.6
265.07227	1.7
265.09409	13.2
265.14447	1.2
266.09689	0.8
293.04440	0.8
317.48584	0.7
341.12354	4.1
385.11365	52.8
386.11520	4.1
397.16150	0.7
413.08844	0.9
525.85059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.7
61.98692	10.1
67.49065	0.7
69.03278	0.8
70.27294	1.6
70.27662	1.5
71.01254	1.2
80.04452	0.6
96.95882	1.2
111.08038	1.0
129.10214	1.0
151.08690	1.7
164.85771	0.7
168.11276	0.9
178.44907	0.8
186.12393	0.7
192.88527	0.7
195.13812	7.2
205.12317	0.9
209.11771	1.2
211.13356	0.9
223.13339	6.9
231.20827	0.7
243.22366	0.8
245.08090	1.5
256.13062	1.2
269.52740	0.8
275.20190	3.4
293.21210	100.0
294.21539	9.2
325.30502	1.0
335.09183	1.3
392.74799	0.9
448.76044	0.8
686.41571	0.9
811.50946	8.0
812.51337	2.2
813.51947	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	849.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	12.1
71.01251	12.4
73.02793	1.4
73.09617	1.5
83.01248	2.7
85.02798	2.3
87.00747	2.6
89.02324	7.2
92.37903	1.5
97.02816	2.7
97.06464	4.0
101.02318	10.2
113.02319	3.2
119.03375	1.9
125.02377	2.6
151.11201	9.5
169.12248	40.5
213.11249	5.5
220.74953	1.6
221.06624	1.7
227.15860	1.4
235.08371	2.6
255.23264	50.8
256.23523	3.8
258.32358	1.5
277.21674	4.4
332.32596	1.5
397.13373	3.8
849.48419	100.0
850.48737	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01566	1.7
61.98700	20.3
69.03326	1.2
70.77795	0.9
71.01250	55.3
71.52595	2.1
72.99186	2.6
73.02816	14.3
74.35674	1.0
75.00739	2.3
83.01259	8.3
84.02070	1.5
85.02816	33.3
87.00745	9.4
89.02302	2.0
95.01260	4.6
96.95888	3.1
97.02832	3.1
99.00761	9.7
101.02315	29.7
111.00792	1.3
113.02325	22.4
125.02354	2.9
129.01926	1.4
143.03413	2.7
159.02895	3.3
161.04448	12.4
171.10141	1.9
219.76932	1.0
222.95197	1.2
305.72720	1.2
443.35098	2.9
469.36374	1.3
512.81860	1.2
587.39807	2.0
605.40271	1.8
631.42175	6.1
643.41620	3.4
645.40271	1.8
659.42499	2.1
661.42999	7.5
662.43048	1.3
719.44006	2.4
749.44720	100.0
750.45111	22.6
767.45844	19.7
768.45746	3.4
809.46826	22.9
810.46710	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	849.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	34.1
60.65685	0.6
61.98692	4.3
69.03307	1.8
71.01253	3.8
71.50347	0.6
71.52255	0.7
71.52655	0.8
73.02803	0.6
79.95614	7.7
80.96404	0.7
82.69514	0.8
83.01244	1.4
85.02827	2.6
87.00748	13.2
89.02312	1.5
89.03840	0.9
91.05405	0.9
93.03298	1.6
95.95090	3.3
96.95885	34.0
97.02808	1.8
101.02287	2.2
105.19273	0.7
108.02010	0.9
113.02300	1.8
119.04918	1.1
121.02838	18.2
125.02311	1.0
132.02019	2.3
135.04361	1.6
137.02368	1.2
144.43045	0.7
147.04420	5.8
149.02350	92.6
150.02686	3.0
151.00488	1.0
152.01105	1.5
156.62108	0.8
161.04408	0.8
163.03873	2.2
164.04707	62.0
165.05051	2.0
179.07028	3.9
192.86804	0.7
193.01294	1.5
205.05127	1.0
208.03703	5.8
209.04259	0.9
209.11690	2.0
219.67033	0.7
223.06064	52.9
224.06305	2.0
253.57922	0.7
269.04498	0.7
273.31235	0.8
283.02438	0.8
285.03775	0.9
303.01859	4.4
304.01974	0.8
321.22375	1.6
381.24319	8.9
382.24658	1.9
397.13400	1.0
399.25476	1.2
425.23373	7.3
426.23624	1.5
459.27151	2.5
461.19934	3.3
485.25381	8.1
505.18909	3.0
555.22626	1.4
565.21124	2.6
583.22406	1.0
601.23108	1.8
625.22888	0.9
643.24170	5.6
648.50934	0.8
778.16632	0.9
789.27423	1.7
821.30719	1.2
849.29932	100.0
850.30243	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.3
61.98700	100.0
62.98415	0.1
65.00180	0.7
66.48386	0.1
69.28557	1.4
71.01260	1.1
72.99193	0.1
73.02824	0.4
74.56985	0.1
75.00726	0.2
83.01276	0.6
85.02834	0.6
87.00758	0.3
89.02325	0.5
93.03367	0.7
96.95924	0.3
101.02339	0.5
103.03883	0.3
107.01260	1.3
108.02056	0.3
109.02846	0.2
111.00748	0.3
113.02342	0.4
116.92793	0.3
119.04906	2.0
119.05729	0.2
121.02852	0.5
123.04429	0.1
125.02337	0.5
126.38113	0.1
134.03641	0.3
137.02362	0.6
145.02892	0.6
149.02356	1.0
150.03131	0.1
151.00272	5.2
152.00990	0.5
153.01776	0.4
160.03983	0.3
161.04436	0.2
163.03931	0.2
164.04684	0.7
165.01860	0.4
165.05313	0.2
169.01401	0.2
175.00369	0.4
175.03935	0.2
177.01833	0.5
181.04790	0.2
190.02570	1.0
191.03349	0.4
193.01280	0.3
195.06642	0.4
195.13826	0.2
205.05026	1.1
223.06024	0.8
241.14455	0.3
265.09152	0.3
269.04559	0.4
271.06119	3.2
272.06491	0.2
279.12485	0.2
303.47354	0.1
421.68689	0.1
459.11856	0.2
462.50723	0.2
464.84903	0.2
469.21982	0.2
528.20215	0.1
561.16180	0.3
579.17090	2.3
580.17706	0.3
593.18414	0.1
665.17896	0.5
785.22949	6.4
786.23547	1.5
805.38885	0.3
848.30554	0.3
849.31311	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	12.5
66.47775	0.7
67.29595	0.8
69.92958	1.8
69.93351	1.4
71.01251	2.8
73.02810	1.6
83.04913	4.6
85.02824	2.1
97.06460	4.2
107.04908	0.7
108.02051	35.1
109.02850	12.9
119.01244	0.9
121.02811	1.4
121.75095	0.6
135.00795	2.1
135.04401	0.9
137.09634	1.6
149.02313	2.3
149.09616	0.8
150.03131	1.2
151.03909	1.2
151.11209	1.1
152.01048	39.0
152.42894	0.8
153.01836	9.3
159.36949	0.8
163.03848	1.5
163.11192	5.7
164.04663	1.7
165.01810	0.8
167.03262	0.9
171.78738	0.8
175.00230	4.1
176.01045	5.9
177.01826	0.9
177.12756	0.8
179.10756	1.3
179.14310	3.7
190.02615	14.7
191.03386	12.5
195.13835	18.4
196.14204	1.1
205.04996	11.7
208.03716	0.9
209.04524	2.1
223.06024	2.6
223.13324	15.2
224.13605	1.2
241.14400	100.0
242.14752	6.9
273.07700	0.8
283.15482	41.4
284.15771	4.6
285.03928	0.9
315.07227	7.7
323.78864	0.8
353.08801	1.2
501.04819	0.8
521.12958	93.0
522.13440	9.4
547.56641	0.7
849.44562	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	848.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.5
59.96962	0.1
61.98700	100.0
62.98415	0.2
63.02256	0.1
63.14877	0.1
65.00191	0.5
65.52779	0.1
71.01266	0.3
71.29367	0.2
73.02821	0.1
76.84390	0.1
82.35129	0.1
83.01258	0.3
85.02841	0.1
87.00774	0.1
89.02327	0.2
89.27187	0.1
93.03371	0.3
101.02321	0.2
107.01266	0.7
108.02048	0.1
109.02863	0.1
119.04910	1.1
121.02859	0.2
125.02322	0.2
137.02362	0.1
145.02859	0.4
149.02364	0.5
151.00266	2.9
152.01021	0.2
155.42200	0.1
160.03923	0.2
163.03926	0.1
164.04710	0.3
165.01917	0.2
175.00372	0.2
176.01045	0.1
177.01820	0.2
187.04088	0.1
190.02623	0.5
191.03506	0.1
205.05013	0.7
208.03766	0.1
223.06114	0.4
269.04565	0.3
271.06116	2.0
271.08917	0.1
272.06522	0.2
551.42572	0.1
561.16370	0.3
579.17151	1.1
580.17444	0.2
593.19928	0.1
649.43097	0.1
665.17914	0.2
785.22937	4.2
786.23169	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.1
61.98699	100.0
62.98393	0.1
70.12835	0.1
70.13229	0.3
70.84359	0.1
98.19919	0.1
111.38448	0.1
118.33483	0.1
129.10249	0.4
139.08653	0.1
140.07112	0.2
165.10396	0.1
192.18712	0.1
200.14040	0.1
207.14983	0.5
224.17679	0.2
242.18692	0.2
259.14618	0.1
277.27036	0.1
295.21448	0.2
333.19617	0.1
337.26276	0.3
614.28369	0.1
782.37384	0.3
782.51770	5.4
783.52222	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.1
61.98701	100.0
63.02258	0.5
63.06646	0.4
65.00195	0.4
66.52081	0.3
71.01255	1.3
78.75669	0.4
83.01254	0.5
84.33415	0.3
85.02827	1.0
89.02344	0.5
93.03342	1.2
101.02332	0.7
103.03893	0.7
107.01267	0.7
108.02046	0.7
109.02812	0.4
113.02360	0.7
117.03362	1.1
119.01259	0.4
119.04936	0.9
121.02869	1.4
125.79617	0.3
135.04398	0.6
137.02341	0.6
138.78076	0.4
146.02408	0.7
147.04488	0.5
148.01587	0.4
149.02353	6.2
150.03142	3.4
151.00282	1.6
152.01102	0.7
153.01833	0.7
161.02391	0.5
163.03912	0.9
164.04710	4.5
165.05516	0.9
169.01408	0.4
175.00301	2.8
176.01100	4.8
179.07121	0.6
190.02647	6.1
191.03410	4.5
194.02147	0.7
201.44916	0.4
205.05031	3.7
208.03683	0.4
209.04485	3.5
223.06017	2.0
225.05548	0.6
225.80225	0.3
229.21997	0.6
240.04327	0.5
241.04590	0.4
241.14484	1.0
268.03748	17.7
269.04520	37.5
270.04883	2.3
271.06097	0.6
283.06110	4.3
285.04172	0.5
309.52725	0.3
325.85025	0.3
381.11026	0.3
431.09854	0.5
499.14767	0.7
538.14563	0.5
559.14526	3.8
783.21381	37.2
784.21680	7.6
846.30231	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	841.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	52.7
61.98687	2.2
68.99668	1.0
69.02400	0.6
69.03306	2.1
71.01250	57.6
72.01596	0.9
72.99174	4.9
73.02816	9.5
75.00741	1.6
78.95754	0.8
81.03316	2.0
83.01254	4.4
85.02815	14.1
87.00231	1.2
87.00745	20.6
87.04370	1.2
88.98673	1.8
89.02312	45.6
91.03884	0.9
93.03288	0.9
95.01270	4.2
97.02827	5.4
99.00761	3.1
99.04369	0.9
101.02315	40.5
109.02814	1.4
111.00738	1.0
113.02324	27.1
115.03884	1.2
119.03382	12.6
121.02811	1.3
124.01521	1.4
125.02338	12.6
127.03879	0.7
131.03360	3.3
133.04930	1.0
139.03912	1.0
139.11281	0.7
143.03384	8.4
149.04411	2.2
161.04478	11.4
167.03409	1.1
179.05521	25.2
203.05501	1.3
221.06609	13.0
229.72424	0.8
235.08191	6.2
253.09363	4.7
263.07724	1.6
269.06689	0.8
281.08707	1.1
281.24841	31.5
282.25162	2.2
295.26303	2.1
299.88474	0.6
305.08661	1.1
323.09726	4.1
323.25702	1.0
335.26202	0.8
341.10880	0.9
352.05957	0.7
379.12372	14.3
383.11896	2.5
397.13449	20.6
398.13873	1.2
415.14511	1.6
425.13080	1.3
439.14496	2.0
449.13058	3.2
467.13940	2.0
473.44080	0.7
485.15063	2.5
541.17676	0.9
559.18713	100.0
560.19116	10.1
577.19806	34.0
578.20380	3.1
735.61115	0.8
758.48102	0.8
841.43951	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	845.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	43.6
61.98688	1.6
65.03835	0.6
69.69053	3.0
71.00899	0.7
71.01253	8.8
71.95633	0.4
72.99159	0.7
73.02824	1.8
83.01264	1.4
85.02813	4.0
87.00737	1.1
88.98675	0.6
89.02313	3.2
93.03332	40.8
94.03647	1.2
95.01299	0.5
97.02812	0.8
98.19893	1.0
99.00758	0.7
99.86846	0.5
101.02318	4.7
103.03891	4.8
106.04089	0.5
107.01303	0.6
107.04903	1.4
108.02077	1.9
109.02818	1.6
111.00723	0.5
113.02347	2.5
114.02653	0.5
119.03449	1.0
119.04906	1.9
121.02832	1.8
123.00778	0.6
123.04400	0.9
132.15425	0.5
136.01566	0.6
137.02338	100.0
137.05891	2.7
138.02646	4.1
143.03392	0.6
146.68002	0.5
149.02325	1.1
149.06020	0.5
151.03882	1.5
152.01059	2.5
153.01830	1.2
160.03975	1.1
161.04463	1.6
163.03885	0.9
164.04721	0.6
166.02667	1.4
167.03374	0.8
167.57204	0.5
175.00322	0.5
179.03474	0.8
181.05026	1.3
190.02574	0.7
191.07147	0.6
195.06593	0.7
195.13864	0.9
223.06050	0.9
239.12863	1.7
243.13745	0.6
247.08110	3.1
255.12381	1.4
264.94943	0.5
265.09366	3.2
269.04654	2.4
270.04794	0.9
309.11978	1.4
327.12894	3.4
369.14017	0.6
373.22391	3.4
385.11356	44.0
386.11777	3.7
415.23254	5.1
416.23569	0.8
417.15555	1.4
431.17032	1.2
439.49850	0.6
449.18079	3.0
491.19357	2.1
579.16382	0.8
801.32788	1.7
802.33136	0.6
845.30823	2.3
846.29913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01578	0.8
61.98694	0.8
96.95928	1.0
98.95461	0.6
116.92789	0.6
121.02851	7.1
269.96741	0.4
277.21750	0.6
710.99615	0.5
718.24310	0.4
819.00195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.75409	0.3
60.01591	1.6
61.98742	0.4
69.03333	1.6
69.27787	2.9
71.01252	15.0
72.99182	1.1
73.02825	9.2
73.03247	0.5
75.00745	0.7
81.22292	0.3
83.01260	2.6
85.02821	10.1
87.00746	2.9
89.02317	3.9
93.03331	0.8
95.01286	1.1
96.37384	0.3
96.95891	0.4
97.02835	0.9
99.00790	1.1
99.04419	0.4
101.02326	8.9
103.03886	9.0
103.04543	0.5
107.04920	1.2
108.02077	0.7
109.02872	0.3
111.00807	0.5
111.04424	0.3
111.08039	0.7
113.02328	5.3
119.03396	1.1
119.04945	1.4
121.02839	27.4
121.06454	0.7
122.03183	1.1
125.02364	1.1
129.01810	0.6
129.63200	0.3
131.03436	0.4
134.03575	0.4
135.04414	13.9
136.04713	0.7
137.02342	0.8
137.09660	0.9
139.27898	0.3
143.03438	1.0
145.05000	0.5
147.08047	0.5
149.02419	0.4
149.04469	0.6
149.05922	0.4
151.11249	0.5
152.01105	0.5
153.01852	0.5
159.02913	0.4
160.03986	0.8
161.04453	2.5
163.03958	2.3
163.11192	10.9
164.11588	0.4
165.09081	1.6
165.12703	0.4
171.08101	0.6
177.03957	0.4
177.09145	0.5
181.05022	0.4
181.12260	25.0
182.12607	1.1
187.11218	3.2
189.12776	4.4
190.02715	0.5
190.09958	5.2
190.13162	0.3
203.05583	1.9
203.10751	0.5
204.11530	0.8
205.05139	0.5
205.12277	9.3
221.06558	0.5
221.08600	0.4
221.14018	0.4
223.13387	3.0
229.12355	1.1
247.13348	1.9
259.13333	0.5
265.09357	0.6
269.04596	0.7
285.04202	0.4
349.16537	3.5
350.16888	0.6
367.17642	4.6
368.17996	0.6
369.11893	34.7
370.12253	4.6
371.12686	1.0
385.18820	1.0
409.18738	1.3
427.19687	10.3
428.20215	1.5
469.17368	0.6
470.17416	0.4
588.80298	0.4
841.27435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	40.1
60.01570	0.6
65.41232	0.5
67.76208	0.5
71.01249	17.5
72.99168	1.6
73.02814	11.7
83.01257	4.1
85.02379	0.4
85.02818	12.9
85.03297	1.0
87.00762	1.4
89.02309	9.8
89.02853	0.9
93.03354	0.7
95.01266	0.6
97.02813	1.0
101.02313	18.2
103.03888	22.1
107.04872	0.7
111.00750	1.6
113.02319	8.2
117.05399	0.8
119.03403	4.5
119.04926	3.7
121.02836	1.8
131.03392	1.7
135.04388	1.2
137.02298	0.5
143.03387	2.3
147.04407	0.6
149.02345	12.6
149.04353	2.6
150.02769	0.6
151.00311	0.7
161.04454	4.5
163.03918	5.8
164.04694	13.4
165.05408	0.5
169.01300	0.9
175.00262	2.1
176.01024	1.4
177.05446	0.6
179.05626	0.6
179.07036	1.9
187.11237	0.6
190.02621	8.9
191.03427	4.1
205.05013	12.3
205.12285	1.1
206.05768	3.8
207.02892	1.3
208.03716	1.6
216.05180	0.6
221.06319	0.8
221.08231	4.2
222.05284	0.6
223.06064	14.7
223.13304	0.8
224.06435	0.9
237.07582	1.6
250.04710	1.8
265.07202	4.6
265.09338	47.3
266.07181	0.7
266.09760	2.5
285.03995	1.2
295.08270	1.3
325.09280	2.1
471.15024	100.0
472.15332	11.6
841.31659	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	59.9
60.82445	0.5
61.98700	3.6
65.00980	0.5
69.03316	3.1
69.76135	0.5
71.01250	63.5
72.01593	0.8
72.99176	5.9
73.02811	11.1
75.00747	1.2
78.95757	0.9
81.03311	1.6
83.01260	4.5
85.02818	15.9
85.49377	0.5
85.99968	0.5
87.00745	26.1
87.01279	1.3
87.04353	0.9
89.02312	55.9
90.02643	0.7
93.03345	0.5
95.01258	5.1
97.02827	6.9
99.00746	2.2
99.04395	1.1
101.02317	48.9
106.84155	0.5
109.02818	1.6
111.00758	1.0
111.04360	0.7
113.01530	1.4
113.02325	28.0
114.02649	1.0
115.03903	1.6
119.03383	14.3
121.02867	1.5
124.01546	1.7
125.02328	14.6
126.02609	0.6
131.03365	3.5
133.04944	0.8
139.03911	1.7
141.01804	0.8
143.03391	9.8
149.04449	1.9
157.45863	0.5
158.84439	0.6
161.03207	1.0
161.04463	13.6
161.05850	0.8
167.03387	1.0
168.69432	0.6
170.05702	0.6
179.05515	28.3
180.05818	0.8
203.05513	2.4
217.07092	0.7
221.06593	13.9
235.08173	7.4
253.09219	4.5
263.07700	2.8
269.06540	0.6
279.23257	34.5
280.23679	2.9
281.08844	0.6
293.24860	1.4
295.10269	0.6
305.08676	0.8
321.24203	1.2
323.09726	3.6
341.10989	1.0
365.10831	1.1
379.12415	15.8
383.11819	2.6
397.13416	25.2
398.13885	1.2
415.14453	1.9
439.14557	3.3
440.14920	0.7
449.12872	2.3
467.13916	2.1
485.15039	1.5
541.17279	1.1
559.18732	100.0
560.19092	11.1
577.19812	36.0
578.20276	4.4
595.93481	0.6
839.42670	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	837.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	4.5
59.01246	81.2
60.01574	0.7
68.99693	0.9
69.03327	3.5
69.40261	3.1
71.01248	74.4
72.99172	5.5
73.02812	12.7
75.00748	1.8
81.03327	2.5
83.01255	6.3
83.04897	0.7
85.02815	18.5
85.99961	0.5
87.00744	26.1
87.04405	1.9
89.02312	64.3
90.02664	0.8
91.03868	0.9
92.07933	0.4
95.01257	6.1
95.07396	0.5
97.02827	6.3
99.00760	3.3
99.04382	1.2
101.02318	57.2
102.02642	1.0
103.03863	0.7
107.03379	0.5
109.02812	1.3
111.00732	1.0
111.04395	1.4
113.02322	33.2
114.02691	0.6
115.03886	1.5
119.03384	14.3
121.02837	0.7
123.00764	1.0
123.04365	0.6
124.01576	1.7
125.02332	17.8
126.02657	0.4
127.03881	0.7
131.03372	3.9
133.04967	1.0
137.02327	0.7
139.03926	2.5
141.01892	1.0
142.10681	0.4
143.03392	12.5
149.04451	2.0
151.03874	0.7
155.03375	0.5
161.04446	15.2
162.04849	0.5
167.03403	1.0
169.04964	0.6
171.02899	0.8
179.05521	32.9
185.04492	0.5
199.06160	0.4
203.05562	1.9
217.07069	0.6
221.06602	16.1
222.06946	0.5
229.10667	0.4
235.08174	9.2
236.08586	0.4
253.09221	6.0
263.07672	2.5
269.06708	0.9
277.09280	0.6
277.21698	30.2
278.22061	2.0
281.09052	0.7
287.07794	1.0
291.23346	1.7
295.10385	0.6
305.08804	1.1
319.22717	0.8
323.09830	3.9
341.10983	0.7
365.10931	1.0
379.12433	15.2
380.12738	0.6
383.11926	3.7
397.13452	29.1
398.13757	1.1
398.96036	0.4
415.14615	1.0
425.12994	1.1
439.14413	3.1
449.12967	2.8
467.14252	2.4
485.14709	2.5
541.17706	1.4
559.18738	100.0
560.19025	9.0
577.19806	36.0
578.20349	3.4
578.38507	0.5
636.15936	0.4
837.41058	1.9
838.41351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	3.7
59.01249	59.5
60.01569	0.5
61.98701	4.3
68.99690	0.8
69.03316	2.7
71.01252	63.6
72.01577	0.7
72.99180	5.4
73.02823	9.4
75.00746	0.8
77.41323	0.4
77.41830	0.5
81.03327	1.5
83.01263	5.4
85.02814	16.2
87.00748	22.4
87.04380	1.4
89.02313	55.8
90.02666	0.8
91.03870	0.9
95.01273	3.9
95.04939	0.5
97.02840	4.9
98.19725	1.1
99.00769	2.6
99.04419	0.9
101.02322	47.7
102.02713	0.7
109.02820	1.1
111.00745	1.3
113.02328	32.5
114.02641	0.6
115.03891	1.6
119.03392	12.4
121.02846	1.3
123.00701	0.5
124.01542	1.4
125.02329	14.4
127.03864	1.0
131.03398	3.1
133.04939	1.3
137.02309	0.6
139.03911	1.3
141.01820	1.0
142.21667	0.5
143.03392	11.0
147.13449	0.5
149.02594	0.5
149.04428	2.0
156.32132	0.6
161.04460	15.1
167.03378	1.1
171.09972	0.5
179.05524	30.1
184.15497	0.5
198.09198	0.6
203.05479	1.7
205.08636	0.7
217.06941	0.7
221.06622	13.1
222.06857	0.8
223.98500	0.6
235.08214	6.9
253.09258	5.1
263.07697	2.2
277.21701	28.3
278.22086	2.2
281.08914	0.8
287.07773	0.7
291.23282	1.5
305.08881	0.9
319.22821	1.0
323.09778	3.8
341.10861	0.9
365.10672	0.8
379.12442	13.4
380.12543	1.0
383.11905	3.2
397.13455	24.3
397.18625	1.3
398.13892	1.2
415.14484	1.5
425.12860	0.7
434.08774	0.6
439.14761	2.6
449.12869	2.9
467.14145	2.0
468.14243	0.5
485.15015	1.9
541.17676	1.3
559.18756	100.0
560.19147	7.9
577.19812	35.3
578.19745	2.8
837.40869	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	837.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00464	0.6
59.01247	48.7
60.22771	0.3
61.98699	1.4
69.03320	0.5
71.01250	23.1
71.10247	0.8
72.99162	1.7
73.02811	8.6
75.00770	0.4
81.03329	0.5
83.01247	4.3
85.02820	10.7
85.06473	0.5
85.99972	0.4
87.00761	1.1
89.02306	5.6
93.03337	0.5
95.01260	2.4
96.95913	0.7
97.02837	1.0
99.00758	2.4
101.02316	13.4
102.02632	0.4
102.19599	0.4
108.02032	0.4
110.00150	0.4
111.00756	0.8
113.02328	10.6
113.03080	0.8
115.03880	0.5
116.90765	0.4
116.92802	0.5
119.03358	2.1
121.02817	0.7
125.02325	1.2
129.01828	0.4
131.03429	0.6
137.02338	0.7
143.03381	1.2
149.04457	0.4
150.03101	0.5
161.04451	2.2
161.05652	0.4
161.14175	0.4
179.03368	0.3
179.05508	0.8
195.06610	0.5
195.17488	0.6
201.11240	0.8
209.11740	0.7
211.13351	1.2
269.04553	0.5
295.10342	0.5
297.28046	0.8
313.11212	0.4
359.08521	0.4
485.31461	0.8
488.79187	0.4
503.32059	3.6
527.32153	2.9
528.32172	0.5
545.33264	100.0
546.33582	13.7
546.41998	0.6
569.33179	2.2
587.33966	1.0
642.23901	0.4
670.35803	0.4
793.34875	0.5
837.34460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	1.1
58.19475	0.5
59.01247	100.0
64.69983	0.5
65.37472	0.6
69.03317	1.0
71.01250	24.7
71.52156	0.7
72.99171	1.4
73.02817	17.6
74.12856	0.5
75.53680	0.4
78.29309	0.5
78.66900	0.5
83.01260	6.9
85.02818	3.7
87.00758	1.2
89.02311	11.1
95.01255	0.9
96.95901	2.1
97.02872	0.8
98.85779	0.5
99.04381	0.6
101.02315	21.6
113.02322	9.6
119.03391	4.7
125.02374	1.2
127.33924	0.5
130.17415	0.5
131.03380	2.7
135.04401	0.7
143.03419	2.4
149.02408	2.2
149.04428	5.6
155.03424	0.9
161.04468	8.5
164.04692	2.3
165.01837	0.7
169.20198	0.5
175.00325	3.2
179.05582	2.0
179.15652	0.5
190.02634	10.8
190.04369	0.8
203.05687	1.4
205.04985	12.1
206.05513	0.7
221.06554	2.7
223.06000	4.1
247.11902	2.1
265.07089	0.7
273.68582	0.6
289.12903	2.9
342.54153	0.5
392.49286	0.6
503.17645	23.5
504.18445	1.8
769.37683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.1
65.00198	1.7
67.01741	0.8
71.01255	1.1
73.02814	4.7
83.01274	1.3
85.92030	0.6
93.03323	1.1
97.02834	3.3
98.20562	1.8
111.00764	11.8
119.04913	53.3
120.05270	2.0
143.02365	1.3
143.03395	13.0
153.20012	0.6
163.03914	100.0
164.04260	3.5
169.01323	16.5
187.02364	1.7
277.76691	0.7
304.53021	0.7
331.12442	0.7
351.07529	1.1
359.54233	0.8
363.27090	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
71.32392	0.6
94.01043	0.3
104.25974	0.3
120.05925	0.4
139.57196	0.3
401.12640	0.3
800.56665	0.3
866.26367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	1.8
58.49969	1.6
59.01247	100.0
61.08020	1.3
69.27113	1.4
69.38420	11.9
69.51987	1.5
71.01253	12.9
72.99174	2.8
73.02811	5.6
75.00745	2.0
83.01255	2.7
85.02822	8.1
89.02319	4.4
90.78536	1.5
93.03328	3.1
95.01263	1.8
95.85285	1.5
97.02867	1.7
99.00757	2.2
101.02323	5.8
111.00757	8.1
113.02301	5.1
119.03451	2.0
119.04910	27.2
121.02804	3.2
125.02305	1.5
126.45330	1.4
135.04370	2.5
137.02322	2.2
143.03389	6.7
149.15222	1.6
151.03903	2.7
154.99794	1.3
160.03944	3.7
161.04492	2.2
161.09679	1.7
163.03903	39.5
164.04315	3.9
169.01331	7.8
178.10359	1.5
179.03366	3.2
181.04962	1.3
205.03445	3.0
243.96590	1.5
255.02948	3.1
265.09375	1.8
272.54800	1.5
283.02405	2.7
284.07205	1.3
285.03989	3.8
305.13980	2.7
331.17615	6.1
373.18668	9.3
447.09195	2.1
476.04208	1.7
493.14334	2.0
714.00635	1.6
835.28162	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	835.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	1.5
59.01247	14.0
60.08578	0.9
61.98700	100.0
69.03333	1.1
69.96428	4.4
71.01250	50.8
72.99158	1.1
73.02806	2.6
78.95790	1.1
80.96375	3.0
81.03368	0.8
83.01225	1.7
83.04890	2.4
85.02811	4.3
87.00746	3.7
88.98631	0.9
89.02316	10.2
96.95869	4.5
97.02816	2.6
97.77319	1.1
101.02315	9.8
109.06466	4.0
113.02318	4.2
116.92769	1.2
119.03379	3.2
125.02340	3.5
125.09586	1.3
126.66115	0.9
139.07574	1.1
143.03384	1.1
155.48924	0.9
161.04434	2.1
163.11177	2.7
165.12721	1.3
171.10194	6.3
179.05498	2.9
181.12302	1.6
183.13800	3.6
185.11856	1.3
192.80386	1.0
197.11774	1.1
199.13350	5.9
201.11267	6.4
207.10225	11.3
209.11768	23.1
210.12070	2.1
211.13339	33.6
212.13692	1.6
225.11270	12.7
226.11450	1.0
227.12820	18.9
235.08211	1.4
247.13484	1.2
253.09409	1.0
258.81168	1.0
379.12186	1.9
397.13419	14.8
401.23233	2.7
415.14505	4.0
419.24222	2.4
605.24658	1.2
607.26843	1.3
623.25616	1.7
761.56409	1.0
799.37323	3.3
800.37738	1.2
817.38672	8.6
818.39014	2.2
835.39148	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	835.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	0.7
59.01248	11.7
61.98698	2.1
65.00179	0.6
71.01253	9.9
71.52530	0.9
72.99173	0.7
73.02822	4.7
75.52873	0.7
81.03334	0.8
83.01242	1.6
85.02831	3.5
89.02304	2.2
93.03332	2.5
95.01243	1.3
97.03979	0.6
101.02324	3.9
101.85686	0.5
103.03896	1.5
106.04116	1.1
107.01263	0.8
107.04902	1.0
108.02048	13.3
109.02832	6.5
111.00754	0.9
113.02316	2.7
119.04924	1.7
121.02853	1.6
123.04431	1.7
125.02364	0.9
133.06490	4.5
134.03577	0.8
134.06128	0.6
135.00778	0.8
135.04453	1.1
137.02309	1.1
143.03445	0.7
148.01535	1.7
149.02344	45.4
149.05984	2.7
150.02713	1.2
151.00323	1.2
151.03795	1.0
152.01050	15.7
153.01842	4.0
153.05527	0.7
160.03976	4.3
161.02338	23.2
161.04434	1.3
162.02782	0.8
163.03918	1.9
163.07535	1.3
165.01811	0.8
175.03909	1.1
176.04706	9.2
177.05479	100.0
178.05800	3.6
188.01099	4.4
195.06526	0.9
201.00179	0.9
201.01823	4.9
203.03426	44.2
204.03731	2.4
209.11800	0.9
220.03725	3.4
221.04494	71.1
221.82553	0.7
222.04834	3.3
227.12711	0.7
243.13759	0.6
265.09122	1.1
269.04416	1.1
271.13361	2.2
279.12408	3.5
315.07214	3.5
323.11328	86.4
324.11697	6.6
415.17413	1.2
485.16422	0.9
569.20807	1.9
711.02594	0.7
733.26788	3.2
791.27100	20.3
792.27142	5.2
835.33844	44.3
836.34082	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	835.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00483	0.4
59.01249	100.0
60.01564	0.9
67.39257	0.4
69.65541	2.9
71.01251	10.7
73.02812	4.1
75.00745	0.7
83.01266	1.7
85.02824	3.6
89.02316	3.1
90.55169	0.4
93.03373	0.9
95.01264	0.6
95.96352	0.4
99.00775	0.7
101.02322	7.5
103.03902	0.4
108.02090	0.4
113.02326	4.4
119.03384	1.0
131.03391	0.4
137.02359	0.9
143.03383	1.0
160.03951	3.6
161.04442	4.1
179.05544	0.7
203.12311	0.4
205.04919	0.4
205.50644	0.4
237.14816	0.4
245.65472	0.4
265.09183	0.4
313.16855	0.6
331.17621	3.8
354.04742	0.4
373.18686	7.4
707.16986	0.5
835.26855	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	9.7
61.37772	0.5
61.98703	2.6
64.73257	0.6
65.00188	0.8
67.01773	0.6
68.99689	0.6
69.03326	1.4
71.01254	12.1
71.52650	0.8
71.53054	0.8
73.02802	3.2
75.00755	0.7
78.49866	0.5
81.03350	1.7
83.01256	2.6
83.04928	0.7
85.02820	8.6
87.00741	1.8
89.02316	3.5
91.01787	1.0
93.03324	5.6
95.01263	4.2
96.95881	0.9
97.02830	1.6
99.00754	0.7
101.02308	7.1
103.03902	2.1
106.04115	7.1
107.04913	2.6
108.02051	88.5
109.02842	34.6
109.03606	1.2
110.03178	1.5
111.00776	1.6
113.02330	4.9
117.03403	0.6
119.03429	0.7
119.04901	6.7
121.02845	3.7
122.03606	0.6
122.06043	0.6
123.00767	3.0
123.04401	2.6
125.02321	2.6
125.45049	0.6
133.02797	1.1
133.06493	1.7
134.03607	1.1
135.00757	1.9
135.04379	1.5
137.02332	4.1
138.03131	1.6
143.04875	0.7
145.02937	0.7
145.06404	0.6
147.08078	1.1
149.02368	2.8
149.05994	0.8
150.03085	1.9
151.00273	1.4
151.03918	2.5
151.07513	0.7
152.01054	100.0
153.01845	29.1
153.05431	1.5
159.08105	2.1
160.03969	2.7
161.02347	1.2
161.04445	1.5
161.09663	1.2
163.03893	3.3
164.04663	0.7
165.01851	1.9
165.05467	0.7
166.02570	1.1
167.03395	1.8
169.01384	0.6
175.03947	0.9
175.07602	1.0
175.11180	3.0
177.01813	1.2
177.05452	0.7
179.03439	1.1
181.04964	1.1
182.02080	1.2
183.64732	0.7
187.11267	0.8
190.02705	1.1
191.01897	0.7
191.05461	0.8
193.05032	0.7
195.02925	1.3
195.06630	1.1
203.07072	1.5
205.05037	1.3
205.08646	1.0
209.11786	0.7
215.14384	1.8
219.06529	4.8
223.05980	0.7
225.12810	0.8
227.14441	3.1
233.08104	0.7
241.14410	1.5
245.08060	0.9
245.15474	2.3
255.03012	0.8
265.09247	2.4
269.04504	1.3
271.02451	1.1
271.13431	1.2
273.14926	0.8
285.04050	2.1
289.14444	32.3
290.14771	1.9
290.37677	0.6
299.02008	1.0
301.03467	0.7
315.07220	18.4
316.07565	1.0
331.15414	0.7
339.12344	9.5
417.52151	0.6
433.18674	7.5
434.18701	0.9
447.09097	1.4
521.48767	0.6
525.18182	0.7
543.18329	8.4
544.19263	1.1
555.21350	0.6
585.19629	0.8
587.21204	44.1
588.21680	6.4
593.17212	1.1
629.22510	2.2
673.24792	1.0
695.19531	0.6
726.69055	0.7
749.26569	10.4
750.26550	0.8
783.88708	0.6
791.27588	84.0
792.27917	18.2
834.41345	0.8
835.27777	3.2
836.28870	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	16.5
61.98677	1.8
68.99682	0.8
69.30059	0.7
71.01249	10.3
73.02819	3.8
81.03320	1.7
82.08778	0.8
83.01250	1.9
83.59340	0.7
85.02818	7.8
87.00755	2.8
89.02288	2.6
93.03318	4.1
95.01241	2.8
99.00694	1.1
101.02319	7.8
103.03900	1.9
106.04117	3.2
107.04956	1.1
107.34409	0.8
108.02048	77.4
109.02855	28.0
110.03174	1.1
113.02328	4.4
119.03365	1.6
119.04893	3.2
121.02836	2.7
123.00788	1.8
123.04396	2.0
125.02329	0.9
134.03673	1.2
135.00702	0.9
137.02338	1.8
138.03073	1.0
143.04958	0.9
149.02341	1.2
151.00255	1.1
151.03847	1.4
152.01053	94.3
153.01836	24.8
154.02115	1.1
159.08029	1.9
161.02383	0.8
163.03918	2.4
165.01820	1.7
165.05502	0.9
175.11227	1.0
176.13446	0.8
183.29826	0.8
209.11732	1.2
227.14467	2.6
229.15836	1.2
245.15411	2.2
265.09354	1.0
269.04401	1.9
271.13364	3.2
273.15085	4.1
274.15323	1.0
289.14377	3.3
315.07144	13.0
407.20670	1.5
433.18539	3.5
451.19720	6.7
475.19772	1.4
493.20462	1.3
505.55371	0.9
709.72021	0.9
749.26526	2.0
791.27563	100.0
792.27625	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	833.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	15.5
59.42637	0.7
61.98691	3.8
66.88838	0.8
69.03335	0.8
71.01248	10.8
73.02815	4.7
81.03320	2.5
83.01257	2.7
85.02822	7.0
87.00759	1.7
89.02316	2.8
93.03313	5.5
95.01264	3.3
96.95900	1.9
98.20650	1.7
99.00746	2.1
101.02319	5.0
103.03907	1.5
106.04096	1.1
107.01223	0.9
107.04905	1.1
108.02047	91.7
109.02840	39.2
110.03134	0.8
113.02332	3.5
114.01831	0.9
119.04897	4.3
121.02811	3.0
122.03610	0.9
123.00768	2.2
123.04400	6.2
125.02322	2.7
134.03575	0.9
135.00726	1.1
135.04449	0.9
137.02322	2.8
143.04544	1.1
145.02849	0.9
149.02353	1.4
150.03101	1.1
151.00298	1.8
151.03906	1.9
152.01050	82.6
153.01836	20.7
153.05472	3.7
157.06392	1.3
160.03918	2.1
161.04457	1.6
163.03912	2.0
164.04616	0.7
165.01854	1.1
175.03990	0.8
177.01889	1.2
177.05547	0.9
193.04987	0.8
214.06471	0.8
225.12814	2.5
227.14355	1.5
229.62080	1.0
243.13945	1.5
255.02974	1.1
269.04492	2.0
269.11823	1.4
269.19482	0.8
271.06171	1.7
271.13391	3.0
287.12839	1.8
306.07755	2.6
307.56451	0.9
366.07858	0.9
409.12473	0.9
431.16989	3.5
449.18121	7.7
450.18311	1.1
491.19269	3.0
595.16742	1.2
678.03296	0.9
747.25073	4.5
789.25970	100.0
790.26276	20.3
790.39441	1.5
819.60913	0.9
832.49005	1.2
833.35278	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.8
59.01522	0.6
59.68807	0.4
61.98715	0.8
63.02274	1.3
65.00187	4.9
67.01777	0.5
68.99673	1.7
71.01254	2.2
73.02823	0.7
83.01265	1.1
85.02815	1.8
87.00735	0.5
89.02341	0.6
93.03339	7.9
95.01266	0.7
96.95918	0.4
101.02341	1.1
103.03894	0.9
106.04141	0.6
107.01250	0.8
107.04887	0.7
107.08524	0.6
108.02013	1.9
109.02856	0.7
109.06478	2.5
112.56842	0.4
113.02354	1.1
117.03340	0.6
119.04910	48.3
120.05288	1.6
121.02832	1.8
123.00822	0.5
128.98480	0.3
129.06969	0.8
131.08542	1.7
133.02852	1.1
133.06479	17.3
134.06801	0.5
135.04402	0.8
136.01508	0.9
137.02336	1.7
137.05954	0.4
145.02823	1.5
147.07997	0.7
149.05968	0.9
149.99550	0.6
151.00227	0.7
151.07536	6.8
152.01079	1.6
153.01811	0.8
159.04367	0.6
160.03897	0.9
161.02405	1.9
161.05971	0.6
162.03145	0.5
163.00281	1.3
163.03906	0.5
164.01115	0.6
175.00264	1.2
175.02455	0.5
175.07565	7.1
175.11172	0.9
176.01086	6.3
176.07855	0.4
177.01802	1.0
177.05453	0.5
185.06041	0.5
187.03867	0.6
189.05443	0.5
190.02612	0.7
190.06252	0.9
191.07028	1.7
193.08696	0.7
203.03453	0.5
203.07091	0.9
217.04942	0.8
219.06566	56.0
220.06906	3.4
222.01778	0.5
227.03346	0.8
229.75592	0.4
233.08165	4.4
237.07603	1.2
245.08214	4.9
255.02982	0.6
264.06409	0.5
265.09399	0.6
269.04532	0.8
284.03091	0.5
285.04059	1.6
295.06021	0.8
297.11340	0.5
339.12335	100.0
340.12656	8.8
369.11890	0.7
381.13483	0.8
447.09296	0.9
483.16464	0.8
501.17636	1.1
543.18671	99.3
544.19000	13.6
585.19971	2.0
599.02191	0.4
835.31934	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	831.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60643	0.4
59.01249	2.0
61.98692	1.2
62.96258	0.4
70.30299	1.5
71.01261	1.7
71.43597	0.3
72.01604	0.3
73.02812	0.4
78.95775	77.4
78.98454	0.9
79.95601	2.2
80.96390	8.7
85.02829	0.5
92.92677	1.9
94.97964	2.0
96.96840	17.6
106.98020	0.4
116.97157	1.9
122.97470	0.9
125.02354	0.3
128.44623	0.3
134.97456	0.8
134.98361	0.7
141.01608	0.8
143.98996	0.3
148.99011	0.5
152.99493	22.8
164.98514	1.5
166.18904	0.3
171.00594	0.5
175.51167	0.4
194.46275	0.4
203.62230	0.4
206.99588	0.4
223.00078	8.3
223.02116	0.7
225.00697	2.3
233.22873	0.5
241.01163	34.1
242.01514	0.7
255.23274	60.5
256.23605	5.0
259.02188	2.2
259.20587	0.6
277.21719	36.5
278.22073	3.9
280.98010	0.4
295.08273	0.4
297.03778	1.8
306.04059	0.4
315.04858	1.0
338.93671	0.9
391.22522	8.2
392.22910	1.0
409.23654	0.7
413.20938	1.3
553.27850	6.6
554.27893	0.7
571.28894	1.0
575.26392	1.3
795.53345	0.5
831.50208	100.0
832.50482	24.3
832.73999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	12.8
60.90685	0.8
61.98705	6.3
65.00193	0.8
69.03323	0.7
71.01251	9.0
71.03497	0.6
71.53078	1.3
72.99184	1.5
73.02825	3.2
75.00729	1.0
83.01286	2.5
83.04925	1.2
85.02816	7.3
87.00771	2.0
88.98667	1.0
89.02331	4.1
93.03331	4.3
95.01273	1.2
96.95918	2.3
97.02829	1.1
99.00823	1.0
99.04400	2.1
101.02330	5.2
103.03889	4.5
107.01318	1.1
107.04907	0.8
108.02082	2.4
109.02855	2.7
111.00795	1.8
111.04411	0.9
111.08054	1.2
113.02317	4.2
117.03358	1.0
119.03413	1.5
119.04941	3.4
121.02871	2.0
121.06473	0.9
123.04426	1.5
125.02358	1.8
134.03610	0.9
135.00829	0.9
135.04449	0.7
135.08067	1.3
136.05219	1.6
137.02356	3.8
137.05933	1.2
138.05411	0.7
139.00272	1.0
143.03429	0.8
145.02840	1.1
147.08060	0.8
149.02357	2.1
149.05983	5.0
150.03200	1.2
150.06764	48.9
151.00299	3.8
151.03902	1.8
151.07268	1.3
152.01103	2.1
153.01782	3.7
153.09123	1.7
157.08664	1.8
160.03949	2.2
161.02264	0.8
161.04494	0.9
161.05966	0.8
161.09579	0.7
162.06769	6.8
163.00316	2.0
163.03935	2.4
163.07549	22.2
164.04651	0.9
164.08337	6.2
165.01825	0.9
165.05496	1.7
166.02626	0.8
167.03404	1.1
169.12299	1.4
171.10181	1.1
174.01851	0.9
176.08392	3.2
177.05461	0.9
177.09120	3.2
178.09827	3.5
178.99844	1.4
179.03436	1.2
179.10703	14.5
179.12219	1.2
180.11043	0.9
181.04982	0.8
190.02666	2.1
193.05022	1.5
193.08656	0.8
195.02928	1.7
195.06548	1.8
195.13831	1.0
205.05034	1.5
215.14340	1.6
221.04698	0.8
223.06152	2.0
241.14424	1.6
259.13336	1.0
265.09332	3.5
268.03751	4.9
269.04514	10.8
270.05161	0.8
276.04684	0.8
279.23407	1.7
281.21283	1.7
283.19281	1.0
284.03378	1.4
285.03934	3.4
285.11441	1.4
325.23944	3.2
327.21790	7.2
369.77203	0.7
373.74780	0.7
428.29651	1.0
444.32657	1.2
445.33154	1.0
446.30313	10.1
447.30951	1.7
460.31931	10.3
461.26443	0.6
461.32648	20.2
462.33340	2.4
487.30890	3.1
488.31369	5.2
489.32233	2.3
505.31812	2.0
506.32355	11.5
507.33185	35.3
508.33780	4.5
559.14960	1.7
577.15833	1.5
583.23669	1.3
651.37323	2.3
669.38654	14.6
670.39191	2.8
808.43018	0.8
831.44373	100.0
832.44574	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03658	1.1
59.00956	2.1
59.01249	40.9
69.03313	3.7
70.26106	4.7
71.01248	4.5
73.02810	3.0
79.69392	1.2
83.04861	1.3
85.02821	7.7
86.45981	1.2
99.04415	1.6
101.02312	1.8
109.06483	18.6
111.04391	7.5
121.06442	1.4
123.08035	3.6
125.06013	1.4
135.08047	23.5
137.09616	18.1
138.06723	5.1
147.45834	1.4
149.09590	5.1
153.09131	8.5
163.11174	11.6
164.22198	1.3
167.10670	10.2
177.07651	1.9
177.09128	30.0
178.09506	1.6
191.10727	6.9
193.12267	100.0
194.12593	7.5
205.11928	1.3
211.13330	42.5
212.13715	3.2
213.68004	1.1
217.12238	4.5
235.10988	1.4
235.13351	24.8
236.13773	1.9
241.14403	8.9
253.14438	22.6
255.12321	2.1
297.13452	13.5
385.18268	1.7
445.20587	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	831.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.3
61.18721	0.4
69.03323	14.1
71.01245	2.0
73.02814	0.8
75.00712	0.6
77.04634	0.4
79.01749	3.4
81.03342	0.7
85.02818	1.4
87.00779	0.5
93.03316	0.5
95.01259	2.8
97.02833	8.3
101.02341	0.9
102.51907	0.4
107.01263	11.6
108.02085	0.5
113.02325	0.8
123.00751	3.1
125.02329	20.1
134.03682	0.5
135.00772	68.5
136.01074	1.8
145.72278	0.4
149.02324	0.8
150.02893	0.6
151.00269	2.1
152.01112	1.1
160.03928	0.9
161.04514	0.5
165.05476	1.0
166.02615	3.0
167.03406	100.0
168.03738	3.2
190.02695	0.6
193.04968	0.7
209.04425	1.4
223.05994	0.5
280.84329	0.5
285.03897	0.6
291.26636	0.5
301.48712	0.5
308.24661	0.4
311.07471	0.6
313.28513	0.5
357.09714	2.5
371.09866	4.0
399.16614	0.8
470.88126	0.6
482.45621	0.5
526.53296	0.6
725.45447	0.6
740.62378	0.5
816.46497	0.5
831.29657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01582	1.9
61.45170	1.1
68.67191	1.1
69.03377	1.1
69.77784	6.5
69.78172	2.1
70.50641	1.1
71.01247	18.7
72.99183	2.1
73.02809	8.9
75.00755	1.5
81.03351	1.1
83.01252	2.7
85.02835	11.9
87.00757	1.9
87.04406	1.3
89.02318	7.3
93.03339	4.3
95.01269	2.9
96.95877	2.8
97.02802	2.6
99.00771	2.2
101.02320	13.3
103.03882	10.4
107.04928	7.6
108.02054	2.2
109.02833	2.1
111.00771	5.8
113.02321	7.5
117.03369	2.6
119.03405	3.9
119.04911	30.0
120.05254	3.7
121.02848	3.1
123.04433	1.3
125.02316	3.7
129.01816	1.8
131.03456	1.3
133.06517	1.4
134.03613	1.7
135.04454	1.1
137.02385	2.3
143.03421	5.1
145.02838	16.2
149.02350	1.4
149.04422	1.4
150.03168	1.6
151.00269	1.7
151.03918	1.6
152.01028	2.8
153.09180	1.4
157.13016	1.1
160.03952	2.3
161.04472	4.6
161.05968	4.6
163.03914	40.4
164.04291	4.9
165.01817	1.3
169.01349	4.9
170.01718	1.8
173.00702	1.6
175.03989	1.7
178.02716	1.6
184.46382	1.1
191.01860	2.0
193.04942	2.0
205.05045	2.8
218.58942	1.6
221.90820	1.1
223.05995	1.7
225.14871	2.3
227.03406	7.2
228.03828	1.2
241.14420	8.5
255.02962	12.5
256.03357	1.8
265.06927	2.3
265.09326	27.0
269.04562	3.3
271.06158	16.9
271.09555	2.2
283.02438	4.3
284.03223	10.2
285.04056	29.9
286.04425	4.4
313.16580	2.9
331.17581	6.4
352.59201	1.2
355.08154	1.4
373.09229	1.7
373.18631	12.2
411.07745	2.4
411.12946	38.1
412.13263	4.2
429.21130	3.1
437.80200	1.2
488.59732	1.2
489.10373	14.9
490.10641	2.0
514.15491	1.5
581.13190	2.4
829.32275	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	827.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	1.6
59.01248	100.0
59.71367	0.3
60.01577	0.8
65.00204	0.5
69.03316	1.5
69.19303	3.8
71.01251	44.3
72.01568	0.5
72.99173	2.3
73.02816	49.8
74.03148	0.9
75.00745	1.2
81.03315	0.4
83.01253	17.3
83.75307	0.4
85.02823	6.5
87.00756	0.9
89.02312	8.5
93.03342	1.1
94.77204	0.3
95.01269	1.0
96.95790	0.3
97.02817	0.7
98.20514	0.7
99.00742	0.8
101.02319	47.3
102.02638	0.8
103.03866	0.7
107.01254	1.1
108.02085	0.4
111.00736	0.4
113.02324	14.8
117.01838	0.3
119.03389	5.7
119.04893	2.6
121.02776	0.6
125.02329	2.2
129.01814	0.5
131.03391	4.9
134.03575	0.4
137.02303	0.4
143.03394	5.9
147.02901	0.5
149.02422	0.5
149.04456	11.2
150.04761	0.4
151.00250	3.9
151.01392	0.6
155.03363	1.3
160.03888	0.4
161.04466	19.2
162.04745	0.5
165.05421	1.0
168.40959	0.4
175.03963	0.4
177.01762	0.7
179.05487	0.8
181.04942	0.4
191.01894	0.6
195.76193	0.3
203.05589	2.3
221.04564	0.5
221.06577	6.1
223.13284	0.4
265.09171	1.1
265.14322	0.4
268.03558	0.4
269.04468	6.3
269.10361	1.8
270.04904	4.8
271.06064	5.1
296.64127	0.4
311.11273	1.0
327.08588	1.1
380.13272	0.3
385.11526	0.7
392.19016	0.4
417.15289	0.5
475.12469	4.1
476.12039	0.5
578.15375	1.2
579.16675	2.6
621.17310	0.9
699.02100	0.4
783.23407	0.5
804.18353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	11.6
61.19816	1.0
67.30675	1.1
69.03313	3.7
71.01254	11.8
71.52750	1.2
71.53150	1.1
73.02809	3.5
75.00739	1.4
81.03323	1.5
83.01259	2.9
85.02812	10.0
87.00744	1.4
89.02312	3.2
93.03310	3.8
95.01269	4.2
97.02832	2.2
99.00758	1.4
101.02323	5.4
103.03867	2.8
107.01313	1.6
107.04941	1.3
108.02050	84.0
109.02843	37.2
110.03194	1.2
111.00719	2.0
113.02293	3.6
117.03407	1.1
119.04941	2.8
121.02844	8.6
122.03593	1.2
123.00735	4.0
123.04391	3.2
125.02328	4.6
133.02805	2.7
134.03607	1.5
135.00749	10.9
135.04396	3.0
137.02328	2.7
145.02786	2.3
149.02333	14.7
149.05994	1.1
151.03944	5.1
152.01051	100.0
153.01843	42.4
160.03944	3.0
161.04405	1.3
162.03145	2.0
163.03909	5.1
165.01819	3.1
165.05472	1.3
166.02580	2.2
167.03433	8.7
168.53391	1.0
177.01889	1.9
181.04909	3.7
191.03453	1.5
195.02885	15.6
205.05222	1.1
205.08641	20.5
217.71306	1.2
237.14861	1.5
245.08168	2.3
247.09758	12.4
248.09932	1.5
256.59265	1.0
265.09332	2.0
282.10669	1.0
297.11911	1.8
315.07202	74.2
316.07489	2.8
327.12939	1.2
329.08670	1.5
357.08240	17.8
417.10284	5.8
417.15302	1.4
665.24487	34.2
666.24689	4.7
702.15656	1.3
827.29761	60.0
828.30280	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	827.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.0
65.00179	2.9
70.39557	0.6
71.01234	2.0
73.02798	0.7
83.01254	1.4
84.02045	0.6
85.02807	2.1
87.00758	1.0
87.37495	0.6
93.03338	1.8
98.20566	1.7
101.02299	1.6
107.01271	4.8
108.02050	1.2
109.02840	1.2
112.28606	0.6
113.02335	1.0
119.04912	6.5
121.02834	1.5
123.00742	1.8
124.01559	0.7
125.02310	1.7
130.86856	0.7
137.02350	7.2
138.02669	0.7
143.04922	1.1
145.02803	0.9
149.02269	1.4
151.00270	28.6
151.03857	1.2
152.01106	1.4
152.04668	1.9
159.04454	0.6
161.02400	0.7
161.04338	0.9
163.03845	0.6
164.01082	1.1
165.01807	2.0
166.02623	45.7
167.03180	2.9
177.01869	3.4
179.03473	1.0
181.04976	67.1
182.05289	2.6
185.05983	1.1
187.03841	0.8
190.06346	1.0
192.04208	1.3
193.04944	0.8
195.02853	0.7
196.00104	1.3
205.08643	1.4
207.06535	1.1
227.07059	0.8
268.03870	1.6
269.04523	12.4
270.04932	7.9
271.06116	12.1
313.06836	0.7
342.83118	0.7
350.41370	0.7
359.11276	1.3
387.10828	10.4
388.11264	1.2
402.13074	8.8
404.74094	0.7
417.15521	100.0
418.15854	11.0
418.20892	1.2
424.33319	0.6
459.11490	1.0
475.12469	2.1
577.15717	2.4
578.15759	3.8
579.16876	25.3
580.17084	3.0
621.17822	4.6
669.16327	0.8
783.23206	3.3
784.23755	1.0
841.19159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	9.8
59.17044	0.5
61.98692	3.4
63.02261	3.8
65.00191	23.2
68.99689	0.6
71.01254	7.7
71.52621	1.0
73.02831	1.8
81.03336	0.8
83.01250	12.2
85.02814	3.8
87.00740	2.9
88.98689	1.1
89.02325	3.4
91.01771	0.6
91.05402	0.5
93.03329	9.8
95.01256	1.2
95.03790	0.5
96.95877	3.0
97.02837	1.4
99.00771	1.2
101.02315	3.7
103.03863	1.4
104.65816	0.6
107.01266	32.8
107.04919	1.0
108.02061	1.8
109.02850	1.1
111.00764	1.1
113.02348	2.6
116.92806	0.6
117.03310	4.9
119.01278	2.3
119.04907	51.0
120.05260	1.5
121.02814	7.2
123.04419	3.9
124.01571	0.7
125.02343	9.6
131.01292	0.9
133.02809	0.8
135.00806	0.8
135.04391	1.4
136.01561	0.7
137.02324	2.1
143.04933	1.3
145.02841	15.0
146.03323	0.6
147.00780	0.7
147.04408	1.4
149.02342	25.9
150.03108	2.5
151.00267	100.0
152.00705	2.3
153.01868	1.2
160.03922	1.6
161.02348	1.4
161.04521	1.1
161.05922	1.2
163.00215	0.9
163.03908	2.7
164.00993	1.1
164.04688	18.2
165.01849	6.1
165.05423	1.7
166.02577	1.2
167.03412	8.6
169.01302	3.3
175.00275	10.8
176.01039	3.1
177.01836	9.6
179.07034	1.7
181.04973	1.6
185.06015	1.7
187.03920	4.7
189.01828	1.3
190.02625	19.9
191.03389	5.3
192.00531	0.6
193.01328	2.9
193.04993	1.0
195.06409	0.6
196.00020	1.4
197.09335	0.6
205.04990	30.4
206.05409	1.0
208.03648	2.0
209.04420	1.9
217.01355	1.3
223.06061	17.2
224.06393	1.0
227.07016	2.8
229.05197	1.1
235.02422	0.9
241.14449	1.1
257.15201	0.7
265.09363	1.1
266.47455	0.7
268.03656	1.9
269.04550	10.9
270.05090	1.2
271.06094	51.7
272.06543	2.9
279.05093	0.7
285.04144	0.9
285.07602	2.8
287.09381	0.9
313.07251	1.2
315.05219	0.8
339.07196	0.8
501.12762	4.6
502.12036	0.7
561.15826	1.8
579.16968	1.9
598.45148	0.6
603.17297	8.6
604.17200	0.7
621.18158	39.6
622.18201	4.9
635.19482	1.7
663.18829	0.7
681.20679	4.2
707.18237	6.7
708.18579	1.2
733.20660	0.7
783.36487	1.1
785.23859	1.5
827.23779	41.0
827.39905	1.5
828.24268	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	827.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77792	1.1
59.01248	5.6
63.02259	2.1
65.00190	10.7
67.12303	1.2
69.63592	8.0
71.01254	2.8
73.79539	1.2
80.34651	1.2
83.01251	9.1
85.02831	2.2
93.03329	6.4
101.02288	2.0
107.01265	23.5
108.02082	2.3
117.03345	1.8
119.04910	38.4
119.05745	2.5
120.05276	2.1
121.02844	1.8
124.01543	1.1
125.02341	5.3
136.01535	3.9
137.02397	2.1
143.04912	3.4
145.02841	5.9
149.02261	1.1
151.00266	100.0
152.00694	2.4
161.06032	1.7
164.01082	10.2
165.01845	7.5
166.02638	1.8
169.01353	3.1
175.00238	2.1
177.01849	7.3
181.04945	1.6
185.05975	4.3
187.03896	2.2
190.02701	1.3
193.01335	2.6
196.00095	7.9
205.01370	1.3
206.24628	1.1
227.07115	8.2
229.05109	1.4
230.88368	1.2
231.34471	1.3
233.77112	1.2
235.02467	3.7
241.04953	2.0
253.04834	1.4
269.04608	2.4
270.05322	8.0
271.06107	73.6
272.06351	6.1
300.02789	4.4
301.03348	2.3
313.07016	3.4
338.34772	1.1
339.07208	2.0
415.10321	1.6
417.15479	3.0
459.11444	6.8
475.12427	15.5
476.12729	2.0
579.17126	95.4
580.17548	13.3
609.14722	4.4
621.18060	22.4
622.18329	2.7
723.21844	2.1
783.23199	18.4
784.24353	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	827.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77792	1.1
59.01248	5.6
63.02259	2.1
65.00190	10.7
67.12303	1.2
69.63592	8.0
71.01254	2.8
73.79539	1.2
80.34651	1.2
83.01251	9.1
85.02831	2.2
93.03329	6.4
101.02288	2.0
107.01265	23.5
108.02082	2.3
117.03345	1.8
119.04910	38.4
119.05745	2.5
120.05276	2.1
121.02844	1.8
124.01543	1.1
125.02341	5.3
136.01535	3.9
137.02397	2.1
143.04912	3.4
145.02841	5.9
149.02261	1.1
151.00266	100.0
152.00694	2.4
161.06032	1.7
164.01082	10.2
165.01845	7.5
166.02638	1.8
169.01353	3.1
175.00238	2.1
177.01849	7.3
181.04945	1.6
185.05975	4.3
187.03896	2.2
190.02701	1.3
193.01335	2.6
196.00095	7.9
205.01370	1.3
206.24628	1.1
227.07115	8.2
229.05109	1.4
230.88368	1.2
231.34471	1.3
233.77112	1.2
235.02467	3.7
241.04953	2.0
253.04834	1.4
269.04608	2.4
270.05322	8.0
271.06107	73.6
272.06351	6.1
300.02789	4.4
301.03348	2.3
313.07016	3.4
338.34772	1.1
339.07208	2.0
415.10321	1.6
417.15479	3.0
459.11444	6.8
475.12427	15.5
476.12729	2.0
579.17126	95.4
580.17548	13.3
609.14722	4.4
621.18060	22.4
622.18329	2.7
723.21844	2.1
783.23199	18.4
784.24353	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	825.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.9
65.00195	1.9
65.93475	0.3
67.01748	1.9
71.01234	0.7
72.99181	0.4
73.02812	4.8
75.24196	0.3
83.01244	1.1
85.02793	0.7
86.94907	0.3
87.00770	0.3
89.02332	0.3
93.03361	0.4
97.02818	3.5
98.19750	0.4
99.00733	0.3
99.04376	0.8
101.02297	1.0
103.03899	0.4
111.00759	12.6
112.01131	0.3
113.02349	0.5
119.04907	59.8
120.05247	2.7
136.98705	0.4
137.09679	0.3
143.03392	13.2
144.03748	0.4
151.03754	0.3
154.99721	0.5
161.04391	0.3
163.03906	100.0
164.04240	4.8
169.01326	16.1
170.01643	1.0
184.35368	0.3
187.02411	2.1
205.03482	0.5
265.09366	0.5
269.04578	0.5
295.36786	0.3
329.78165	0.3
351.07236	1.0
369.19135	0.3
577.45862	0.3
825.26819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	1.7
65.00180	1.2
67.01750	1.6
69.59501	1.5
69.59930	1.6
71.01261	0.8
72.77842	0.5
72.99173	6.7
73.02813	4.2
79.01714	0.5
80.91968	0.4
83.01253	1.3
85.02831	2.4
89.02289	0.7
93.03367	0.8
97.02819	4.6
99.00771	1.0
99.04408	0.7
101.02292	1.1
103.03888	0.5
111.00762	44.0
112.01086	1.9
119.04911	74.9
120.05254	4.0
129.01804	1.2
135.04462	0.7
143.03395	11.3
144.03749	0.9
154.99788	5.4
163.03915	100.0
164.04260	7.1
169.01343	21.3
169.02789	1.1
170.01662	0.9
173.00833	15.2
174.01096	0.9
180.47815	0.5
187.02425	2.2
201.00562	0.5
205.03470	38.1
205.46741	0.5
206.03831	2.5
241.14427	0.6
248.75089	0.5
318.72989	0.5
333.88470	0.6
351.07153	2.8
356.05463	0.6
369.18936	0.6
825.31158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.8
63.02277	0.8
65.00212	0.6
69.58916	1.0
71.01259	0.5
73.02843	0.4
73.74629	0.2
83.01272	0.3
85.02827	0.3
85.46296	0.2
93.03328	0.3
101.02322	0.4
103.83611	0.2
105.14265	0.2
107.01263	1.1
108.01971	0.2
113.02320	0.2
117.03342	1.3
119.04947	0.3
121.02805	0.2
128.00691	0.2
131.68822	0.2
137.02318	0.2
146.12036	0.2
149.02318	0.7
150.03145	0.2
151.00301	1.1
159.04434	0.9
161.02318	0.4
169.06543	0.2
171.04411	0.2
181.06485	0.2
183.04427	0.5
196.05174	0.2
197.06036	0.4
199.22078	0.2
201.05499	0.4
211.03835	0.2
225.05550	0.9
227.03409	0.3
233.27899	0.2
239.03456	0.4
240.04134	0.9
241.04976	0.3
267.02994	0.6
267.06491	0.4
268.00739	0.4
268.03751	20.4
269.04529	100.0
270.04883	7.6
271.02521	0.3
281.04544	0.7
283.06238	0.4
311.05588	2.8
312.05786	0.3
413.08829	1.0
431.09912	0.2
437.39386	0.2
487.13525	0.2
514.03302	0.2
543.53046	0.1
577.15576	63.5
578.15936	9.3
619.16608	3.2
620.16791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	2.4
65.00176	1.3
67.01749	1.8
69.59572	1.1
69.59983	4.7
71.01230	1.2
72.99176	7.3
73.02807	4.8
83.01247	1.8
85.02821	2.7
89.02295	0.9
97.02814	3.5
99.00755	1.0
101.02303	1.5
111.00756	38.3
119.04908	68.9
120.05252	5.8
131.23369	0.7
143.03409	9.8
154.99789	5.2
161.04411	0.8
163.03908	100.0
164.04247	8.7
165.04456	1.3
169.01321	20.8
173.00809	11.3
184.13048	0.8
187.02382	1.6
197.22112	1.0
205.03452	40.0
206.03792	2.4
207.03787	1.0
234.33827	0.9
234.60349	0.7
241.14336	1.1
265.09244	0.8
351.07187	1.6
409.01190	0.9
825.32263	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	823.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00994	1.5
59.01248	18.7
59.73175	1.1
61.98690	4.9
62.56710	1.2
69.03319	3.1
71.01254	16.7
71.51835	2.6
72.11395	1.1
72.11797	1.2
72.99198	1.5
73.02811	3.2
75.00723	1.1
75.27475	1.2
80.96369	1.6
83.01227	2.5
85.02834	8.3
87.00740	3.9
87.63063	1.2
89.02322	13.7
95.01242	1.6
95.04891	1.7
97.02863	2.9
97.06461	14.3
97.21776	1.3
101.02316	11.8
103.17075	1.2
113.02322	6.1
119.03371	3.3
123.08078	7.0
125.02341	2.8
125.09608	64.1
125.10542	3.1
126.09914	1.6
137.09592	1.2
151.35434	1.2
161.04440	2.5
171.10199	13.3
183.13812	1.7
187.09676	34.6
211.13266	6.3
221.06596	2.4
221.11800	1.4
225.00587	1.3
229.14423	6.8
235.08215	4.6
253.09233	15.0
254.70746	1.3
255.23273	39.0
256.23514	3.2
277.21732	32.0
277.24817	1.6
278.22198	2.9
288.00266	1.3
291.19629	4.0
293.21136	4.7
309.20663	10.9
311.22214	2.8
327.21747	50.0
328.21948	2.2
368.68903	1.3
397.13623	2.7
485.42719	1.3
545.29749	2.0
563.30804	2.9
746.15289	1.4
823.46918	100.0
824.47180	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.9
61.98687	1.8
65.26051	0.4
69.03324	1.7
69.39495	4.0
71.01246	6.2
71.04880	0.7
73.02823	0.4
74.14310	0.4
80.02544	1.0
81.03323	0.9
83.04902	2.8
90.18670	0.5
93.03318	1.1
95.04900	1.9
97.06446	3.6
99.77674	0.4
107.04860	0.7
109.06470	0.7
111.08037	7.2
111.11362	0.4
113.09603	3.5
123.08021	1.5
125.09611	2.3
133.10085	0.7
135.08031	0.5
137.09618	0.9
139.11162	1.9
143.48846	0.5
147.11667	1.3
149.09590	1.4
151.07680	0.9
151.11183	20.1
152.11542	0.9
153.12733	1.8
161.09641	0.9
163.11139	3.3
165.11363	1.1
165.12759	22.0
166.13116	0.7
167.10722	2.5
173.09645	0.8
177.09100	0.7
177.12741	0.8
179.10695	8.6
179.14261	1.1
181.12253	23.2
182.12639	1.2
191.10703	13.7
192.10977	1.2
193.12152	0.6
193.15930	0.7
195.10106	0.9
195.13834	2.5
197.11748	1.7
206.35338	0.4
208.14565	0.6
209.11760	100.0
210.12096	5.1
211.13359	3.0
221.79507	0.4
227.12823	4.0
243.92625	0.4
247.20657	5.7
248.20880	0.8
253.09309	1.5
263.20093	2.9
265.21622	3.6
273.18616	1.4
277.21719	9.5
278.22037	0.6
281.21188	2.1
291.19635	32.4
292.19998	2.1
309.20654	42.1
310.20874	2.7
634.53528	0.5
784.84583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.4
61.98708	1.1
71.01245	1.0
73.02812	0.2
83.01241	0.2
85.02834	0.3
89.02319	0.5
96.95901	1.3
98.20609	0.3
101.02334	0.6
101.05959	0.3
104.43764	0.2
108.02067	0.4
113.02322	0.5
116.92707	0.2
119.03368	0.3
125.02319	0.3
130.04091	0.4
135.04407	0.2
145.02838	4.2
146.03583	0.7
149.02406	0.2
151.27106	0.2
161.02388	0.2
163.11282	0.2
171.10187	0.3
173.02328	1.9
174.03131	19.6
175.03529	0.8
178.02591	0.9
183.13846	0.3
185.09666	0.2
190.46957	0.2
191.03448	0.2
206.02135	16.5
207.02451	0.7
209.11746	1.6
211.13313	1.8
212.13721	0.4
214.06306	0.5
227.12752	0.4
229.08643	100.0
230.08971	6.0
397.13565	0.7
455.77286	0.2
797.33423	0.2
819.39142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.5
61.34949	0.3
61.98701	100.0
71.53207	0.6
72.97584	0.3
78.91754	0.5
78.95753	0.5
80.96371	0.7
87.19014	0.3
96.95889	0.8
132.99657	0.4
197.43211	0.4
211.13374	1.2
253.09381	0.4
293.21225	0.8
297.29196	0.4
731.36591	0.5
746.46460	0.4
821.39056	0.5
850.87744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	8.0
64.68307	0.8
65.00187	1.2
67.01752	2.8
71.01244	4.0
72.99181	6.1
73.02818	5.4
73.79791	0.8
83.01258	1.1
85.02826	5.3
89.02294	1.7
89.06453	0.9
93.03309	1.5
97.02837	2.7
98.03696	1.0
99.00683	1.2
99.04374	0.9
101.02329	2.9
103.03886	2.1
111.00759	36.0
113.02336	2.2
117.03326	1.2
119.04912	75.9
120.05203	2.3
129.01852	1.1
130.36580	0.9
135.04428	1.0
143.03401	9.6
154.99750	3.4
160.03993	4.0
161.04317	1.4
163.03915	100.0
164.04254	4.8
169.01324	20.0
170.01663	1.1
173.00797	7.2
178.24136	0.9
187.02438	1.3
197.01509	0.8
205.03456	27.0
229.39981	1.2
265.09259	14.2
277.09656	1.0
351.07059	1.2
366.08139	1.7
387.10675	1.9
635.19385	4.6
823.30634	1.8
824.31128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.2
58.00467	0.8
59.01252	21.9
61.98705	3.9
68.99683	0.8
69.03322	1.4
69.03696	0.7
70.91406	1.2
71.01253	16.0
72.99174	1.6
73.02816	4.5
81.03333	2.3
83.01257	3.5
83.24099	0.7
85.02814	10.1
87.00761	1.9
87.63203	0.7
89.02332	4.0
93.03313	2.2
95.01257	4.5
96.95901	1.4
97.02831	1.2
99.00722	1.5
99.04295	0.8
100.34984	0.7
101.02329	9.7
106.04128	4.3
107.01286	1.0
107.04944	3.5
108.02050	95.8
109.02854	35.2
109.03438	0.5
109.03614	1.2
110.03162	1.8
113.02330	8.9
119.03392	1.6
119.04904	1.6
121.02856	3.7
123.00758	2.6
123.04394	1.5
125.02317	3.1
134.03616	0.8
135.00743	1.7
137.02266	1.5
138.03116	2.0
143.03378	1.7
149.02309	2.1
151.00264	0.8
151.03891	1.5
152.01051	100.0
153.01843	24.0
159.08043	2.8
161.02322	0.8
161.04460	1.5
163.03882	2.1
165.01807	2.1
166.02596	1.6
167.03410	1.4
171.10132	1.1
177.07434	0.6
179.05527	0.8
181.04996	0.9
190.02538	0.6
195.02872	1.0
195.13864	1.1
203.07060	1.2
209.11797	2.9
211.13353	3.1
217.10860	0.9
227.12744	0.8
229.15932	10.7
273.14938	23.3
274.15201	1.8
280.20819	0.8
315.07184	16.4
316.07547	0.8
397.13699	1.8
417.19217	10.3
418.19388	1.1
418.63013	0.7
467.30096	1.0
527.22974	2.5
571.21790	49.1
572.22156	7.7
611.34198	3.5
613.22504	3.4
629.35400	9.7
630.35486	1.4
647.36591	3.7
671.36768	1.7
689.37128	3.3
733.15216	0.9
733.27173	10.9
734.27148	1.9
775.28137	90.0
776.28461	19.3
819.43103	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	817.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
59.30940	0.5
60.01588	0.7
61.98699	10.6
69.32516	0.5
69.52973	3.9
71.01250	3.8
75.00711	0.5
78.95763	0.9
85.02834	1.1
87.00775	1.1
89.02327	2.0
95.01223	0.8
97.02819	1.0
98.19772	0.7
98.20355	1.6
99.00697	0.6
101.02343	1.6
102.14495	0.5
113.02328	1.1
121.02834	2.0
125.02322	1.1
141.01585	57.0
142.01932	0.6
153.01715	0.5
176.35190	0.5
180.29927	0.6
197.11711	1.0
200.47421	0.5
235.08192	1.0
260.15167	0.6
277.21661	6.3
278.22177	0.9
359.21939	4.6
397.13455	13.9
398.13745	0.8
415.14392	2.5
419.11807	2.3
437.12506	4.0
442.22314	0.7
469.06448	1.0
594.39209	0.6
675.36206	0.7
696.09387	0.6
697.34314	2.7
704.67395	0.5
715.33423	0.6
781.41974	0.8
816.50049	0.9
817.49677	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	818.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.6
57.06380	0.4
59.01243	6.3
60.01589	0.3
61.98698	100.0
71.01250	4.1
73.02809	0.9
80.96359	0.4
83.01257	1.0
85.02782	2.0
87.00740	0.5
89.02316	1.5
93.03350	0.9
95.70387	0.3
96.95907	1.1
97.02791	0.4
97.03928	0.5
97.06495	0.4
101.02319	2.2
103.03915	0.6
106.04169	0.3
107.01262	0.4
108.02110	0.5
109.02855	0.6
111.00807	0.5
113.02365	2.0
113.07108	1.0
114.05442	0.6
119.04918	1.5
121.02812	0.9
125.02388	0.6
126.01791	0.4
127.04996	0.5
135.04433	0.4
136.01563	0.4
137.02327	1.2
137.04218	0.3
140.79851	0.3
141.45442	0.4
143.03418	0.4
146.05933	0.4
146.89752	0.3
149.02368	0.9
150.03085	0.5
151.00282	0.8
151.08691	0.5
152.01097	0.7
153.01801	0.5
161.04480	0.5
163.03893	0.5
164.04674	0.5
165.05473	0.4
175.07523	0.3
177.05420	0.5
180.04071	0.4
181.05037	0.5
182.76749	0.4
186.12422	1.0
190.02687	0.7
195.06516	0.8
205.05003	1.0
209.11800	0.5
211.13329	0.7
247.28520	0.4
265.09314	0.6
268.03824	1.0
269.04440	0.9
283.02585	0.4
283.06094	1.0
285.04117	0.4
285.07611	0.8
314.18060	0.4
325.15576	0.4
397.13663	0.6
520.02228	0.4
558.29962	0.6
593.18890	0.5
628.34473	0.6
725.39880	7.7
726.40546	1.4
742.78436	0.4
755.21606	0.5
755.40942	7.3
756.41943	1.1
800.38757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.3
59.01258	21.2
61.20028	1.8
61.98701	33.9
67.01759	26.7
68.99685	5.4
71.01257	13.3
72.20983	2.1
72.99177	1.8
73.02795	1.6
79.95574	1.9
80.96384	5.2
81.03294	2.4
82.78950	1.9
83.01237	4.3
83.04900	2.4
85.02812	6.0
87.00716	3.8
89.02328	15.1
95.04947	2.5
96.95882	8.2
97.02828	6.7
98.19821	7.7
99.00774	2.3
101.02315	8.9
101.05961	83.9
102.06351	2.6
105.57834	1.7
109.06467	11.9
111.00757	19.5
111.04398	4.7
111.12727	1.8
111.22071	1.9
113.02289	4.9
121.02847	3.7
125.02273	2.2
135.08032	2.0
138.03123	2.3
160.56213	2.1
163.11142	6.1
171.10153	2.6
174.03119	8.0
183.13858	3.7
192.03197	2.1
206.02100	5.6
207.10184	25.9
209.11714	6.5
211.13307	29.0
219.13495	1.9
225.11287	13.2
229.08644	31.1
229.96545	2.8
230.08894	3.3
235.08089	2.0
279.13950	2.8
383.22235	2.2
391.24887	2.5
397.13388	15.8
401.23181	6.9
415.20932	2.3
419.24411	4.7
459.20230	4.5
473.25269	3.0
499.26901	9.0
515.26538	4.4
543.25983	100.0
544.26312	15.3
587.24915	46.7
588.25061	5.3
771.38519	3.2
799.37238	14.9
800.37994	3.8
817.38013	19.3
817.49725	2.1
818.38477	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	817.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	100.0
59.44468	0.6
59.91384	0.5
60.01564	0.7
61.98701	13.6
67.01748	0.7
69.03319	0.8
71.01250	2.8
71.82985	0.5
73.02835	0.8
77.40349	0.5
80.96365	0.9
87.00789	0.7
89.02335	2.0
95.01235	0.7
96.95879	0.6
96.99206	1.0
97.02840	2.1
98.20193	5.1
101.02324	1.7
113.02325	1.0
121.02829	1.5
125.02306	1.4
140.20282	0.5
141.01590	60.5
142.01929	0.7
142.05005	1.1
184.24991	0.6
184.50545	0.6
243.04843	1.1
277.21640	5.8
332.76163	0.7
359.22028	4.4
366.54416	0.6
396.22150	0.6
397.13412	11.9
415.09695	0.8
415.14951	1.9
419.11853	2.5
437.12650	3.9
469.06583	1.2
525.39014	0.7
675.37268	0.8
697.34613	2.5
817.50159	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.8
58.00467	0.8
59.01247	100.0
59.16057	0.8
60.01588	1.5
61.98681	0.9
71.01246	10.3
71.52328	1.6
73.02816	4.9
83.01265	2.5
83.04900	1.1
85.02832	5.0
87.00739	1.0
87.04396	4.5
89.02304	4.4
91.01774	5.5
93.03334	15.8
93.32767	0.8
95.01268	1.2
97.06477	0.8
99.00767	1.4
101.02331	8.1
107.04888	0.9
108.02058	1.8
111.00739	1.0
112.38644	0.7
113.02313	3.8
119.01268	2.1
119.03413	1.9
119.04951	1.1
121.02829	7.0
123.04402	1.4
127.25809	0.8
134.03572	0.9
136.01495	1.0
137.02335	28.4
137.09654	1.3
142.50783	0.8
143.03386	1.1
149.02333	0.9
149.04475	1.0
149.32832	0.7
150.03185	0.7
151.03905	63.0
152.01041	1.0
152.04230	3.2
153.01788	1.4
160.03911	3.2
161.04440	3.7
165.01903	1.0
167.03407	1.6
179.03455	0.9
179.05574	1.2
181.04947	0.8
191.01813	1.1
195.13863	1.0
211.13370	1.0
237.14854	5.3
238.15324	0.8
265.09189	1.0
269.04446	1.0
281.06656	8.4
281.13797	1.7
282.14124	1.1
323.07678	5.6
331.17578	3.7
373.18539	4.5
402.85278	1.0
817.30621	1.3
818.27100	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	5.7
61.42937	0.4
61.98695	5.1
67.03777	0.5
69.74937	2.9
71.01246	4.7
73.02820	0.7
79.01774	0.7
83.01253	0.9
83.04899	0.5
85.02831	1.5
87.00772	0.7
88.98661	0.5
89.02334	0.9
93.03322	0.8
96.95899	1.3
101.02335	1.4
107.01295	0.6
113.02319	0.6
119.04942	0.9
119.07018	0.5
121.02828	1.0
133.06477	3.0
134.03624	0.7
148.01588	2.0
149.02342	41.8
149.05971	2.7
150.02731	1.8
151.00215	0.7
151.03915	0.5
152.01122	0.6
158.00175	0.5
161.02347	19.7
161.06070	0.6
162.02913	1.2
175.03963	1.3
176.04695	10.4
177.05479	97.3
178.05821	3.8
188.01129	2.7
191.07019	0.7
201.01865	5.2
203.03423	43.3
204.03737	2.3
207.10300	0.5
209.11821	1.1
211.13402	1.3
220.03702	3.5
221.04491	64.0
222.04788	3.2
225.11333	0.6
245.08188	0.8
269.04376	0.5
279.12366	2.5
323.11331	100.0
324.11642	6.9
421.12793	0.5
467.15591	0.8
485.16324	0.8
715.25372	3.1
781.45538	0.6
799.37927	0.6
817.32581	27.2
818.32953	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	817.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	2.8
59.01250	21.6
61.98697	9.6
63.02264	3.9
65.00190	21.0
68.99680	2.6
69.03314	3.5
70.34056	1.7
71.01242	13.9
72.99187	2.1
73.02815	5.0
81.03323	2.8
83.01265	13.3
85.02821	7.2
86.19701	1.9
87.00751	13.3
89.02319	4.5
91.01744	2.5
91.05433	2.1
93.03326	41.3
95.01250	6.4
95.04907	1.8
97.02803	2.9
98.19778	4.6
99.00750	3.4
101.02292	5.1
105.03332	4.1
105.53281	1.7
107.01271	29.5
107.04874	5.4
108.02039	6.3
109.02843	4.7
111.00771	4.8
113.02328	5.4
117.03354	4.5
118.70589	1.8
119.01263	2.0
119.04915	51.3
119.38697	1.5
120.05311	2.5
120.82391	1.5
121.02845	17.6
123.00755	2.6
123.04366	3.1
125.02341	23.6
133.02904	9.2
133.03746	1.8
135.04401	17.2
136.01588	2.8
136.98677	2.4
137.02336	35.5
139.00230	12.3
139.03883	4.1
143.04909	3.0
145.02821	6.2
147.04382	2.5
149.02345	20.3
149.99467	2.0
150.03088	2.6
151.00269	100.0
151.03896	20.6
152.00868	4.6
153.01826	9.6
153.05453	4.6
154.02557	4.6
161.02400	9.0
161.04500	2.4
161.05862	2.8
163.00267	3.6
163.03876	4.4
164.01004	4.9
164.03485	2.2
164.04660	13.0
164.98145	3.5
165.01846	18.8
165.05405	5.3
167.03435	3.7
169.01309	2.0
169.04973	6.1
173.05882	2.1
175.00261	7.7
175.03954	2.2
176.01074	3.2
177.01833	40.1
178.02383	3.4
178.99759	3.6
179.03464	9.1
179.07060	2.8
181.01349	5.7
181.04919	2.4
183.02902	3.1
185.05934	2.3
187.03897	5.7
190.02631	9.1
190.99792	4.6
191.03455	4.7
192.35803	2.0
193.01308	6.6
193.04999	6.3
194.02095	4.4
198.03204	2.2
201.01955	2.0
205.01404	2.4
205.04959	11.7
207.02715	2.3
209.04434	3.8
211.04117	2.6
211.06024	4.7
213.05527	4.1
213.25931	2.3
215.03482	2.8
222.01736	2.5
223.06042	15.6
227.03442	4.4
227.06975	2.3
229.04959	2.7
235.02533	2.5
237.03955	30.8
238.04526	2.0
239.03438	2.5
241.04958	6.0
242.05563	1.9
245.04691	2.3
255.02776	3.3
255.05084	6.2
257.04596	3.0
259.06012	2.6
267.02863	2.2
269.04529	6.1
270.04996	2.3
271.06122	51.9
272.06418	5.6
284.03314	11.7
285.03992	30.1
285.07626	7.6
286.04440	4.8
299.05475	2.5
303.05139	2.3
393.58582	1.8
411.12732	3.1
441.10284	3.3
459.11121	4.6
473.13089	3.5
491.19238	3.2
561.15723	14.9
562.16559	2.1
575.15564	2.1
579.17352	26.4
593.17712	6.3
595.16840	4.6
611.16010	6.8
627.33649	3.5
665.16797	2.7
691.18695	7.6
773.22705	3.2
774.16785	2.3
799.21051	8.4
817.21881	12.9
817.33453	2.4
817.35919	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	815.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.5
61.98701	6.0
64.59925	1.6
71.01243	5.8
73.02842	3.2
78.95771	54.6
78.96226	3.7
80.96385	4.4
83.04884	3.4
89.02327	2.4
96.96848	13.6
101.02341	1.9
103.99961	1.7
109.06461	2.2
116.92825	1.9
129.92337	1.7
148.10393	1.7
152.99547	13.1
160.75342	1.7
161.04482	2.1
161.51347	1.6
163.11238	4.7
165.12828	2.5
168.27802	1.8
171.08780	2.4
171.10182	41.5
172.10437	1.7
199.09644	2.7
201.11269	2.6
207.10190	4.0
209.11758	100.0
210.12086	6.7
223.00056	5.3
225.00549	2.6
225.11301	6.2
227.12819	11.5
235.08369	3.8
241.01132	29.3
242.98627	1.8
253.09322	10.5
255.23244	35.2
256.23560	4.2
259.02237	2.4
271.13495	2.1
277.21695	88.5
278.22018	8.2
297.03656	2.6
391.22772	4.4
445.20917	2.7
513.30780	2.3
553.27557	2.7
725.38751	37.6
726.39020	6.8
779.39838	4.7
797.40991	25.5
798.41541	6.4
815.41998	7.7
816.42902	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	815.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.6
61.98687	0.9
63.96106	1.2
69.03301	0.3
70.52107	0.7
71.01248	8.5
72.99156	0.3
73.02815	1.3
73.95316	0.3
75.00760	0.3
78.95778	0.6
78.98457	5.8
79.95116	0.4
79.95601	12.9
80.96387	73.6
81.03334	0.7
81.87141	0.2
83.01230	0.3
85.02815	3.2
87.00750	2.5
94.97958	16.1
96.95876	1.0
97.02805	1.7
99.00770	0.8
101.02309	2.2
106.97954	2.6
113.02357	0.5
113.34805	0.3
122.97479	3.0
125.02342	3.2
127.03881	0.8
134.97485	4.8
136.99057	1.5
141.01582	2.2
143.99031	0.4
146.97456	0.4
148.99057	6.0
152.90858	0.3
152.98535	5.7
152.99693	0.5
164.98549	10.6
188.98569	0.5
206.99626	1.9
208.42027	0.3
225.00684	14.8
230.97940	0.3
232.97667	0.4
254.81682	0.3
255.23260	1.4
256.23596	0.4
277.21646	0.8
305.02313	0.6
361.24463	0.3
488.80096	0.3
537.27045	1.3
538.27692	0.5
559.25726	1.4
715.17889	0.3
740.76794	0.3
815.49768	100.0
816.50128	20.8
820.84003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73177	0.7
57.03305	1.6
57.22368	0.5
58.00466	4.6
59.01247	74.3
60.01567	0.8
61.93523	0.6
61.98695	11.6
68.99671	0.7
69.03315	2.5
69.94028	3.1
71.01250	62.9
72.01572	1.0
72.99168	4.6
73.02811	10.4
74.95975	0.6
75.00742	1.4
80.96378	1.2
81.03309	1.7
83.01244	4.8
85.02818	17.1
87.00745	23.1
87.04376	1.6
89.02312	59.4
90.02654	1.4
91.03841	0.9
93.23632	0.6
95.01260	5.2
97.02814	5.2
98.20659	0.6
99.00745	2.7
99.04379	0.9
101.02317	49.9
102.02659	1.5
109.02824	1.1
111.00761	1.2
111.04384	2.0
113.02322	29.8
115.03864	1.2
116.92792	0.7
119.03382	15.3
121.02895	0.7
124.01536	1.4
125.01453	1.0
125.02333	15.7
127.03918	0.9
130.72356	0.6
131.03357	3.6
133.04999	1.2
137.02362	0.8
139.00127	0.7
139.03868	0.7
141.01787	0.9
143.03384	11.8
149.02362	0.7
149.04445	1.4
161.04440	13.6
168.90672	0.7
179.05525	30.6
180.05879	1.1
185.04515	0.8
203.05484	2.3
221.06593	15.9
235.08138	6.4
253.09200	4.9
255.23251	35.0
256.23566	2.7
263.07632	2.1
269.06613	0.6
269.24802	2.8
281.08710	1.0
287.07739	1.0
297.24249	0.9
305.08969	1.2
323.09760	3.8
341.10907	1.5
365.10764	0.9
374.02277	0.7
379.12439	13.9
380.12695	1.0
383.12070	3.5
386.51422	0.7
397.13474	20.7
398.13895	1.8
415.14740	1.4
425.12909	1.3
439.14661	2.4
449.12881	2.7
467.13876	1.7
485.14801	3.0
541.17786	2.2
559.18726	100.0
560.19061	9.9
577.19775	34.4
578.20197	3.5
768.27850	0.7
815.42670	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	815.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.1
58.00462	3.7
59.01245	61.4
60.97570	0.7
61.98382	1.1
61.98698	18.2
68.99696	0.8
69.03304	2.2
71.01248	59.7
72.99175	5.3
73.02814	8.2
75.00720	1.4
78.31607	0.7
79.49850	0.6
80.96375	1.1
81.03324	1.5
83.01257	3.7
85.02299	0.6
85.02816	14.1
87.00745	20.6
87.01277	1.0
87.04366	1.2
89.02308	50.0
90.02666	0.8
95.01260	4.4
97.02809	5.2
98.19936	3.5
98.20643	1.4
99.00742	2.6
99.04377	0.7
101.02317	50.6
102.02615	1.2
109.02831	1.2
111.00751	1.0
111.04400	0.6
113.02327	28.4
115.03835	1.3
119.03381	11.9
119.05141	0.6
121.02805	1.8
124.01508	1.0
125.02332	15.5
127.03904	1.1
131.03387	2.8
131.77933	0.6
133.04930	0.9
139.03880	0.8
141.01851	0.6
143.03392	10.0
149.04427	2.1
161.04442	12.5
167.03424	1.1
171.44879	0.6
179.05516	28.1
180.05742	0.9
197.11639	1.0
203.05510	1.5
209.04523	0.9
218.76479	0.7
221.06581	12.7
228.67708	0.6
235.08194	7.8
253.09265	3.6
255.23251	36.0
256.23535	2.6
263.07690	2.2
269.24808	1.9
281.08701	1.5
287.07669	1.1
297.24374	0.9
305.08783	1.4
323.09698	3.4
341.10947	1.2
365.10797	0.9
379.12418	11.7
380.12662	1.3
383.12134	2.3
397.13446	23.2
398.13815	1.2
415.14429	1.4
425.12955	1.4
439.14554	2.4
449.12891	1.8
467.14169	2.0
471.92401	0.7
485.15219	2.6
541.18311	0.7
559.18738	100.0
560.19037	11.2
577.19769	30.7
578.20178	3.2
703.09644	0.7
815.42883	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	815.2035
Annotation	Kaempferol 3-(6''-sinapylglucosyl)-(1->2)-galactoside
Peak:m/z	Relative Intensity
57.01611	0.2
57.01906	0.2
59.01242	0.8
60.02194	0.2
61.98701	0.2
63.02262	0.6
65.00183	1.0
70.78546	0.2
70.78886	0.4
78.78637	0.2
83.01250	0.9
85.02824	0.5
85.72328	0.2
89.02306	0.3
91.01759	0.3
93.03319	0.9
95.01261	0.3
97.95253	0.1
99.89903	0.2
101.02319	0.4
101.46212	0.2
103.03875	0.2
106.99796	0.2
107.01258	1.6
108.02087	0.3
109.02829	0.3
111.00772	0.3
117.03342	0.7
119.01265	0.5
119.04913	0.4
121.02828	0.3
132.02023	0.2
133.02858	0.3
134.03650	0.4
135.00790	0.3
136.01552	0.2
137.02344	0.5
143.03334	0.3
147.00737	0.4
147.04453	0.3
149.02330	0.8
150.03136	0.4
151.00253	3.8
152.01067	0.2
153.01816	0.5
154.04156	0.4
155.04921	0.3
157.06488	0.2
159.04410	0.5
160.03885	0.3
163.00293	0.4
163.03880	0.5
164.01062	0.3
164.04683	0.7
165.01756	0.3
165.05446	0.3
167.04971	0.2
169.01306	0.6
169.06564	0.4
171.04446	0.6
173.02238	0.2
175.00266	2.0
175.03970	0.3
176.01129	0.9
177.05569	0.2
178.99706	0.2
179.05502	0.2
179.07040	0.2
182.03638	0.4
183.04439	1.6
185.02379	0.3
185.05965	0.7
187.03934	0.3
189.01811	0.2
189.05525	0.2
190.02614	4.9
191.03378	1.4
193.05045	0.4
194.02065	0.2
195.04381	0.3
195.13918	0.2
197.04391	0.2
199.03902	0.3
201.05571	0.2
205.05003	3.1
209.04466	0.4
211.03914	1.4
213.05550	0.4
214.02625	0.3
215.03380	0.2
223.06062	0.4
223.13472	0.2
227.03436	9.8
228.03920	0.5
229.04935	0.7
239.03435	0.6
240.04175	0.3
241.04935	0.7
241.14449	1.0
243.02916	0.3
255.02956	24.4
256.03461	2.7
257.04382	0.7
269.04449	1.0
283.02457	21.6
283.15552	0.5
284.03223	20.9
285.04007	100.0
286.04355	5.4
297.04056	0.8
298.04803	0.7
299.05582	8.9
300.05930	0.6
325.09424	0.3
326.04080	0.3
327.05099	0.9
353.08749	4.2
354.09137	0.3
367.10361	0.7
447.09253	16.2
448.09686	1.4
461.10690	0.4
489.10257	0.6
495.60016	0.2
513.15790	0.7
521.93585	0.2
652.14337	0.5
653.15021	32.8
654.15350	4.4
666.33496	0.3
730.37280	0.2
815.19196	1.5
816.21008	0.2
832.17273	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.44
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83903	1.2
59.87474	1.0
69.46197	8.2
71.01244	1.4
78.95773	76.6
79.95608	1.5
80.02524	2.1
80.96383	9.4
81.03310	2.6
82.95982	1.4
83.04890	6.9
84.44946	1.0
88.33788	1.1
94.97956	2.6
96.96834	17.3
125.02316	1.4
134.97418	1.3
135.08038	1.2
152.99495	17.2
163.11240	6.8
165.12746	2.0
191.10713	1.6
197.43028	1.1
209.11755	69.6
210.12003	5.4
223.00142	5.2
225.00580	2.9
227.12781	4.6
241.01126	33.9
242.01459	1.4
245.08078	4.5
255.23262	44.8
256.23566	2.9
259.02145	2.8
391.22446	3.0
395.14771	1.2
408.98285	1.2
553.27716	2.8
613.87750	1.2
709.38165	4.1
723.39899	3.3
781.41028	5.5
813.43945	100.0
814.44348	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	815.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	3.2
65.00191	3.1
66.13600	0.5
68.99694	0.4
69.27157	2.6
69.27582	1.5
71.01259	3.0
73.02816	1.2
83.01248	2.7
85.02810	1.5
89.02312	0.9
93.03329	7.0
95.01273	0.9
101.02321	1.5
103.03865	0.4
107.01273	7.5
108.02077	0.8
109.02829	0.8
111.00779	2.1
113.02332	0.7
119.04910	5.1
121.02857	0.9
123.00763	0.5
125.02366	0.5
135.00774	0.5
135.04436	1.1
137.02345	6.0
143.03403	0.9
150.03214	0.5
151.00273	17.4
153.01880	0.5
154.04103	0.6
160.03954	0.6
163.00220	1.2
163.03920	7.3
164.01134	0.8
164.04254	0.5
165.01857	0.5
169.01341	3.1
169.06584	0.7
171.04449	0.8
175.00307	1.1
175.03943	0.6
179.03442	1.9
183.04459	0.9
185.06049	1.3
187.03909	0.4
191.03490	0.5
205.03426	0.6
211.03947	1.4
213.05553	1.7
227.03485	4.7
229.05023	1.7
239.03487	2.1
239.05589	0.7
240.04076	0.7
241.04930	3.5
255.02965	16.2
256.03552	1.7
257.04581	3.5
281.06717	0.6
283.02457	13.7
284.03226	23.2
285.04022	89.9
286.04376	6.4
297.03976	0.5
299.05316	0.5
300.02811	0.6
327.04990	1.9
447.09076	0.9
450.95563	0.5
463.08685	1.4
489.10587	1.0
567.11395	100.0
568.11798	13.6
605.53778	0.4
771.17834	1.6
815.28363	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	5.1
59.00962	1.9
59.01247	33.7
61.98667	4.9
63.42739	1.0
63.64170	1.2
65.00175	1.2
68.99681	1.4
69.03297	1.3
69.28288	11.2
71.01250	23.2
72.99181	2.8
73.02816	5.7
75.00710	1.3
81.03341	2.5
83.01228	3.4
83.04873	1.8
85.02821	22.3
87.00739	2.4
89.02312	8.4
93.03350	6.2
95.01245	5.6
95.44072	1.1
96.95870	2.2
97.02711	1.2
99.00734	2.1
99.04384	1.9
101.02328	13.3
103.03880	18.2
107.04871	3.2
108.02049	93.5
109.02840	54.4
109.21825	1.2
111.00749	2.0
113.02328	9.8
117.03378	1.6
119.03329	3.4
119.04861	4.6
121.02881	5.7
122.03608	1.7
123.00729	4.7
123.04388	7.1
125.02293	1.6
135.00739	2.0
135.04344	4.7
137.02275	4.0
149.02232	3.8
150.03067	1.8
151.00230	2.6
151.03864	4.5
152.01048	100.0
153.01843	45.7
153.05421	2.2
160.03868	1.9
161.04387	4.9
161.09567	2.0
163.03870	5.0
165.01797	2.4
165.05476	2.8
167.03366	2.1
168.69806	1.3
175.03769	1.4
177.01797	1.1
177.05399	1.3
182.02023	1.8
187.11118	2.9
189.09042	2.8
189.12599	1.1
190.02492	2.7
193.04892	1.4
195.06520	2.4
205.04996	2.0
205.12132	2.0
213.09142	1.5
215.06966	1.5
223.06067	1.8
241.12125	1.6
241.14270	2.2
250.19749	1.1
257.17505	2.2
265.09290	11.0
269.04214	3.5
271.06000	1.9
285.03552	1.7
285.11215	1.7
297.05942	1.3
297.11801	1.3
315.07172	24.2
357.08127	8.0
387.20160	3.0
503.18719	4.0
505.16513	2.0
521.19946	1.9
529.16809	2.6
547.18573	5.6
565.18805	6.9
607.20184	1.4
667.21704	2.1
709.23145	2.4
727.24377	12.5
728.23956	1.6
769.28772	7.4
795.26093	1.9
813.27734	99.9
814.28577	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	813.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	4.1
59.01250	25.4
61.98698	5.1
67.33602	1.0
68.99693	0.9
69.03318	2.2
69.30930	2.3
69.31333	8.1
71.01251	17.5
72.99174	1.8
73.02808	5.5
81.03316	3.2
83.01237	4.2
83.04894	1.7
84.16364	0.9
85.02809	19.8
87.00736	2.2
89.02304	7.9
93.03342	5.3
95.01270	5.3
96.95850	2.9
97.02810	1.5
98.19832	2.3
99.00735	2.2
99.04388	1.1
101.01831	0.8
101.02318	10.7
103.03892	13.7
107.04896	1.9
108.02047	87.0
109.02850	46.8
111.00742	1.5
113.02299	6.4
117.05428	1.5
119.03381	2.6
119.04887	4.2
121.02846	4.8
123.00716	3.7
123.04427	5.3
123.08009	1.2
125.02315	1.2
125.05872	1.1
129.01761	1.1
133.02805	1.0
134.03571	1.3
135.00772	1.8
135.04370	4.2
137.02304	2.7
139.89003	0.9
145.02747	1.1
149.02290	3.8
149.05942	1.2
150.03053	1.7
151.00220	1.3
151.03879	4.0
152.01048	100.0
153.01846	36.5
153.05408	2.1
154.02107	1.2
156.83882	1.0
160.03899	3.8
161.02484	1.2
161.04376	3.0
161.09564	2.3
163.03925	4.6
164.04593	1.4
165.01784	3.0
165.05440	1.0
167.03340	2.0
167.66396	0.9
175.03906	1.2
177.01762	1.6
179.05424	1.1
181.04886	1.3
187.07619	1.2
187.11189	3.1
189.09035	2.9
190.02716	1.4
193.04793	1.0
195.06567	1.2
205.04993	1.8
207.10219	1.3
223.05965	1.8
223.13567	1.0
241.14305	1.1
255.02753	1.1
265.09311	8.3
268.03873	1.3
269.04651	1.7
277.57788	1.0
283.02350	1.4
285.04053	2.2
297.06113	1.5
315.07199	18.7
316.07507	1.9
317.19672	1.5
357.08090	7.1
503.19363	3.2
521.20148	3.3
529.17023	1.4
547.18262	5.9
548.18842	1.2
565.18958	5.3
625.28534	2.0
709.24146	1.4
727.24261	10.8
769.28973	8.0
795.27435	1.7
808.65735	1.2
813.28015	95.1
814.28302	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.7
59.01247	26.7
61.98718	5.4
63.02275	1.3
63.25318	1.1
65.00199	1.7
69.03321	1.4
69.18983	3.8
69.19405	8.4
71.01249	20.0
72.99180	2.2
73.02826	6.3
74.03287	1.1
75.00748	2.2
78.87982	1.0
83.01257	4.3
83.04897	2.1
85.02827	11.7
87.00764	3.5
89.02312	8.7
93.03335	7.1
95.01238	2.6
96.95889	4.9
97.02840	1.5
99.00766	1.5
101.02316	9.6
103.03873	5.8
106.04149	1.6
107.01271	3.5
107.04925	2.3
108.02053	14.9
109.02850	8.6
111.00732	4.7
111.04403	1.0
113.02350	5.7
117.03350	3.8
119.03395	2.1
119.04904	4.6
121.02824	2.8
123.00758	1.2
123.04375	3.9
125.02362	3.4
133.02859	1.2
134.03633	1.9
135.00761	2.8
135.04370	2.5
137.02338	4.7
143.03387	1.6
145.02843	2.3
149.02342	3.2
149.11821	1.3
150.03194	1.5
151.00290	6.6
151.03908	1.5
152.01071	18.1
153.01845	9.4
159.04378	1.6
159.08038	2.1
160.03970	2.1
161.02466	1.8
161.04427	2.6
161.09711	1.3
163.03883	3.2
164.58118	1.1
165.01878	1.8
165.05475	3.4
166.02536	1.3
167.03455	2.0
169.01352	1.6
172.39011	1.4
175.03911	2.6
177.01909	1.7
179.03331	1.5
179.05508	1.8
179.07053	1.4
183.04405	4.8
187.03966	1.1
191.01932	2.4
195.06606	2.5
199.03879	1.2
199.47951	1.0
205.04999	2.2
208.03909	1.0
211.03966	3.2
217.04968	1.6
227.03461	14.5
228.03830	1.1
255.02962	64.4
256.03500	6.9
265.09262	6.4
268.03690	2.1
269.04459	6.8
270.04877	1.5
283.02478	94.4
284.03189	28.1
285.04034	100.0
286.04263	6.2
289.14481	2.1
297.04013	3.8
315.07166	3.4
327.05099	7.1
366.74329	1.4
429.08237	1.1
447.09253	2.0
489.10342	46.8
490.10535	5.6
502.20718	2.5
503.20462	3.7
520.21997	12.6
521.22137	19.6
522.22241	1.6
531.11316	9.6
563.23364	1.4
564.12579	9.1
565.12488	2.5
565.19788	2.8
625.28168	2.3
649.36841	1.3
769.19263	34.8
770.19879	9.4
813.28021	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	808.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.7
59.63390	0.2
60.01592	0.2
61.98701	1.6
71.01234	0.7
71.52419	0.4
72.99139	0.2
73.02790	0.2
78.33138	0.1
78.95757	1.0
79.95605	2.8
80.02004	0.2
81.51678	0.2
85.02829	0.6
86.94604	0.2
88.98672	0.3
89.02295	0.3
96.95885	100.0
97.95840	0.3
101.02333	0.4
107.01255	0.2
108.02056	0.2
113.02332	0.5
119.04903	0.3
121.02779	0.2
149.02409	0.3
151.00273	0.4
193.04872	0.2
199.31894	0.2
223.06100	0.2
269.04520	0.3
285.04211	0.2
285.07581	0.4
680.38409	0.5
707.40051	0.2
764.37872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.9
59.01250	25.9
61.80349	0.8
67.89676	0.7
69.03320	14.0
71.01239	5.0
71.51806	0.7
73.02819	3.6
83.01266	1.0
85.02825	3.3
87.04388	2.4
89.02317	0.9
97.02825	1.1
101.02327	2.8
109.56298	0.7
111.04363	1.3
113.02335	2.3
124.81150	0.7
135.08086	1.2
138.06764	6.3
148.39169	0.7
153.09113	16.5
155.03262	0.7
161.04451	2.2
203.05624	1.8
205.12273	3.1
206.08206	1.4
223.13298	4.6
231.08745	1.5
235.11954	1.0
241.14406	100.0
242.14688	7.4
252.65797	0.7
269.04382	1.1
319.94711	0.7
385.18445	2.0
403.19351	1.1
445.20724	12.6
446.20901	1.0
489.15741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20753	0.4
57.03318	0.8
58.00473	0.9
59.01249	16.6
59.93924	0.4
61.98691	1.1
68.95058	0.4
69.03323	1.3
70.46394	0.4
71.01247	16.9
72.99182	1.5
73.02814	2.8
80.80814	0.4
80.96377	0.7
81.03337	1.2
83.01258	2.2
85.02818	4.3
87.00748	5.2
89.02311	12.2
89.02838	0.7
91.96684	0.4
95.01254	1.1
97.02831	3.4
99.00786	1.0
101.02319	13.5
111.00745	0.5
113.02316	7.3
113.03050	0.4
115.03843	0.6
119.03404	3.9
125.02318	8.8
125.09623	1.3
127.11147	1.7
131.03404	0.9
133.05000	0.4
137.02341	0.4
139.03868	0.6
143.03410	3.0
143.13423	0.4
153.09055	0.6
161.04431	3.7
167.03430	0.6
171.10168	100.0
172.10512	3.5
179.05525	3.3
199.06010	0.9
213.11397	0.5
217.07158	1.1
221.06610	1.5
235.08170	6.2
253.09222	1.2
255.23251	66.2
256.23602	4.8
259.08258	1.0
269.24829	0.8
281.64435	0.5
287.07730	1.8
293.21298	0.5
295.22681	0.6
297.24448	0.6
303.37103	0.4
305.08704	2.8
323.09732	1.0
337.74582	0.4
361.11145	0.7
379.12427	14.1
380.12622	0.9
397.13452	41.6
398.13730	2.8
415.14523	7.4
416.14615	0.5
431.47681	0.5
519.94403	0.4
551.23285	1.2
569.24164	1.1
635.36438	0.7
653.37872	1.9
807.41461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.4
61.98691	2.8
64.00986	0.5
70.72902	1.6
71.01250	2.8
80.28162	0.5
80.96400	0.5
83.04865	0.6
85.02828	0.7
87.00755	0.5
89.02311	2.2
93.19604	0.5
100.13853	0.5
101.02306	1.9
113.02315	1.0
161.04462	1.3
163.44833	0.5
179.14304	0.7
195.13823	7.7
205.12404	0.9
223.13313	5.4
224.13815	0.5
253.06699	1.0
253.09227	15.0
256.13028	0.6
275.20096	6.0
276.20102	0.6
293.21201	100.0
294.21539	8.1
351.41562	0.5
402.25815	0.5
529.30212	1.0
569.42059	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	805.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.1
59.01244	1.8
69.03326	0.2
69.84232	0.9
70.30429	0.2
71.01241	0.5
71.04887	0.2
80.96371	0.2
83.04891	0.6
89.02302	0.2
95.04889	0.6
97.06444	0.3
101.02320	0.2
109.06470	0.6
111.08031	9.1
112.08369	0.3
113.09606	0.5
121.06470	0.2
123.08027	0.3
135.11684	0.3
137.09543	0.8
139.11156	0.3
141.09096	0.3
149.09615	0.5
153.12645	0.2
155.10629	0.2
167.10667	2.2
169.12274	0.2
175.11287	0.2
177.12753	1.9
179.10683	1.6
193.15959	0.3
195.13815	6.0
196.14171	0.4
203.14343	0.4
247.20605	1.9
248.21097	0.2
253.09261	0.7
273.18497	1.3
277.21719	4.9
278.22040	0.6
291.19638	100.0
292.19962	8.9
292.23325	0.2
805.39771	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30093	0.1
59.01226	0.2
61.98700	100.0
62.98380	0.1
70.90939	0.4
71.01244	0.2
80.96404	0.3
94.18826	0.2
154.00386	0.1
209.11778	0.3
752.51239	0.2
804.39655	0.3
805.40723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.5
59.01246	4.2
68.99661	0.4
69.03321	12.4
71.01247	3.0
71.52776	0.3
72.99174	0.4
73.02812	1.1
79.01746	2.8
79.41210	0.3
80.52708	0.3
81.03316	0.8
83.01251	0.6
85.02830	2.2
87.00750	1.1
89.02314	0.8
93.03329	0.4
95.01251	2.1
97.02827	8.0
97.03407	0.6
99.00790	0.5
99.04391	1.1
101.02321	2.5
102.81935	0.4
107.00537	0.6
107.01270	11.1
108.02057	0.8
111.00770	0.5
113.02341	1.1
119.04919	0.6
121.02858	0.9
123.00763	2.6
123.04392	0.5
125.02328	19.6
126.02632	0.5
129.01836	0.4
135.00772	57.1
136.01112	2.1
147.04430	0.4
149.02364	0.5
151.00281	2.1
152.01031	0.9
153.01738	0.4
159.08066	0.5
160.03906	1.6
161.04408	1.9
163.03847	0.4
165.05455	0.8
166.02615	4.8
167.03403	100.0
168.03711	3.8
191.01849	0.4
203.05455	0.4
209.04475	1.7
225.14848	1.1
269.04681	0.6
297.17010	0.9
300.02609	0.6
311.07617	0.4
371.09689	5.5
372.10175	0.7
387.20242	4.4
398.90985	0.4
463.08847	0.6
803.27698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.7
59.01250	20.9
61.98715	1.0
69.36638	2.1
69.37045	4.2
71.01254	6.7
72.99177	1.6
73.02821	2.0
75.00765	0.8
83.01229	1.0
83.04900	4.4
85.02831	5.9
87.00737	1.2
88.97359	0.8
89.02328	3.6
93.03334	2.5
96.95877	1.5
97.06481	4.2
98.19834	1.9
101.02302	5.6
103.03899	5.2
106.04147	1.8
108.02069	3.4
109.02816	1.7
111.00769	1.2
113.02317	2.7
115.67114	0.8
116.04946	2.1
117.05359	1.2
119.03358	1.4
119.04938	2.3
121.02872	1.4
123.08006	1.0
134.03639	2.0
135.04338	1.2
137.02321	2.1
137.09563	1.3
139.11201	1.0
147.08066	1.5
149.02444	1.2
149.09573	1.2
150.03075	1.0
151.00288	1.2
152.01045	3.2
153.01869	1.1
159.03110	1.0
160.03951	56.8
161.04292	18.6
161.09682	1.6
163.03879	1.5
163.11211	4.9
164.11482	0.9
165.01791	1.0
165.12755	1.0
166.02544	1.0
169.01268	1.0
177.12688	0.9
179.14310	3.6
181.05002	1.0
190.02654	1.0
191.03465	1.0
193.04927	2.3
195.13835	17.5
196.14241	1.8
197.15405	1.8
205.05063	2.0
205.08534	1.3
223.13348	17.2
224.13734	1.1
241.14415	100.0
242.14743	9.2
265.09302	8.6
265.15018	0.7
267.51953	0.8
269.04465	2.0
283.15500	54.9
284.03174	0.9
284.15878	3.7
285.04004	1.9
285.16101	0.8
289.14413	1.8
290.14722	1.5
329.14233	0.9
369.19641	0.8
433.18817	1.2
434.18829	1.4
509.20193	2.1
595.23822	2.7
639.13483	1.0
639.23193	1.5
734.03107	0.8
757.29163	16.4
758.29059	3.2
801.26935	8.2
802.27972	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	801.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64200	0.4
57.03319	23.7
59.01248	14.7
59.20778	0.5
61.98707	0.6
69.03325	0.7
71.01251	6.1
72.02045	2.4
72.99174	0.5
73.02831	2.1
74.35487	0.5
81.06961	1.2
83.01254	0.8
83.04888	19.1
84.05217	0.7
85.02830	2.2
87.04385	71.4
88.04721	1.5
89.02316	0.8
95.01257	0.7
95.04914	2.6
97.02834	0.6
97.06461	14.2
98.03621	1.4
98.19797	1.7
101.02300	2.7
101.98796	0.5
106.04136	1.1
109.06433	1.3
113.02311	1.6
113.05951	9.0
119.04906	0.7
121.06509	1.4
123.08022	1.2
135.08064	1.5
137.02357	0.9
137.09627	13.3
138.09885	0.7
139.07553	1.6
139.11198	0.6
147.08018	2.4
149.09642	2.7
151.03915	0.9
151.11163	1.1
152.04274	0.6
153.09106	9.5
161.04399	0.6
161.09641	1.2
163.11218	1.9
165.12753	6.9
166.13010	0.5
175.11180	0.7
177.12750	1.4
179.10727	1.2
191.07103	1.3
193.12263	1.0
193.25764	0.5
195.13837	28.0
196.14204	1.5
201.12944	0.6
204.11589	0.7
209.15448	1.5
217.12471	0.6
219.06538	0.9
219.13892	4.9
230.06244	0.5
237.14920	100.0
238.15225	7.4
239.12857	6.0
254.45413	0.5
281.13937	39.6
282.14316	2.6
371.20776	1.4
389.21667	1.5
431.22665	2.8
467.19440	0.7
509.20236	5.6
510.20639	1.1
571.64661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.0
58.00478	0.7
59.01252	11.6
61.98692	1.9
64.47826	0.5
64.78869	0.5
69.03324	2.2
71.01247	9.0
71.04874	1.1
72.99171	1.6
73.02805	2.3
83.01254	1.4
85.02821	19.0
87.00745	1.4
89.02305	3.2
93.03332	1.1
93.06972	0.8
95.90674	0.5
96.95880	0.6
97.02848	0.6
99.00747	1.2
99.04416	1.0
101.02321	3.8
103.03887	32.1
108.02038	1.9
109.02869	1.3
109.06509	1.1
111.00764	0.7
111.08022	1.1
113.02336	2.8
113.03025	0.5
116.09544	0.6
119.03390	1.1
119.04869	1.6
121.02840	44.2
122.03159	1.6
123.04388	1.0
123.08073	0.5
125.02308	1.0
127.07541	4.2
130.59616	0.5
135.04414	22.7
136.04726	1.0
137.02322	0.9
137.06003	2.8
139.10306	0.5
139.11211	5.2
139.33920	0.5
145.04959	0.9
149.02341	1.5
150.03018	0.7
151.00259	1.5
151.03917	0.6
152.01088	3.3
153.01797	1.3
153.05539	0.7
155.07043	4.1
160.03880	0.6
161.04428	1.5
163.03935	2.7
164.04738	0.8
165.05441	0.7
165.09148	1.3
166.02618	2.0
167.03406	1.4
175.00204	1.0
176.58742	0.6
181.04935	2.2
183.10158	8.0
184.10451	0.9
190.02615	1.7
197.11729	3.2
205.05028	1.5
207.10127	1.0
213.31247	0.6
214.59193	0.6
223.06038	1.6
225.11287	5.4
247.08148	1.8
265.09280	7.6
266.09634	0.7
268.03699	5.3
269.04504	14.9
270.04785	1.4
315.07260	0.7
369.11865	58.3
370.12241	5.6
378.79874	0.7
431.19180	100.0
432.19513	11.0
559.14514	1.2
577.15515	1.1
619.16486	6.4
620.16931	1.3
726.35950	0.6
757.29565	2.0
783.20850	0.9
801.29565	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.1
58.62241	0.9
59.01253	13.1
61.28717	0.9
61.85988	0.9
61.98699	13.6
62.22928	0.9
63.02268	1.8
65.00189	24.0
68.99679	1.7
71.01257	10.8
71.53134	1.3
72.99192	2.3
73.02826	1.9
83.01247	11.3
85.02820	6.4
87.00743	1.8
89.02296	3.1
93.03341	6.5
95.01266	3.7
96.95914	2.2
97.02840	1.4
99.00774	2.2
101.02344	5.1
103.03876	6.1
106.04134	3.1
107.01270	32.9
108.02070	3.5
109.02840	5.7
109.99993	5.8
111.00764	4.0
113.02334	4.5
117.03355	2.5
119.04912	38.0
120.05221	1.9
121.02840	6.2
121.06393	1.2
123.00771	3.5
123.04434	1.3
124.01513	1.4
125.02338	9.6
133.02872	1.8
134.03659	2.5
135.00714	1.7
135.04417	37.3
135.05452	1.9
136.01581	5.9
136.04794	2.0
136.98723	3.0
137.02388	6.4
137.05989	1.2
137.99510	1.4
138.03119	1.3
139.00267	6.9
140.01044	1.1
141.01849	2.0
145.02859	5.8
147.00742	3.1
147.04472	1.4
147.08080	1.7
149.02386	10.1
149.99519	1.1
150.03113	2.9
151.00275	100.0
151.03876	7.2
152.00969	4.7
152.04681	1.6
153.01880	5.4
159.08101	1.1
160.04036	1.7
161.02368	6.2
161.04491	2.1
161.05994	2.2
163.00288	5.0
163.03957	5.4
164.01028	1.7
164.04726	5.7
164.98250	2.5
165.01794	6.0
165.05452	1.0
165.98978	4.0
166.02670	4.8
166.99748	9.5
167.03360	2.3
167.07072	3.9
169.01294	3.5
169.04987	1.4
173.99498	1.1
175.00269	5.2
177.01849	12.3
178.02588	2.3
179.03339	1.9
180.00571	1.0
180.04161	1.5
181.01372	1.7
181.04988	6.0
185.05986	2.1
187.03958	1.7
189.01889	6.0
190.02644	7.9
190.99803	13.3
191.03436	2.4
192.00473	3.1
193.01331	5.3
193.04987	2.8
194.05478	1.2
195.06625	1.2
205.01405	1.8
205.05060	9.3
206.02138	13.9
207.02965	5.7
215.14429	7.7
216.14711	3.5
221.01155	1.3
221.04512	21.9
222.89546	1.0
223.06020	6.4
224.03215	1.1
227.07021	1.7
229.04968	1.8
235.02534	2.7
239.05566	27.1
241.12332	1.6
259.06073	1.2
259.13443	3.5
260.13739	2.2
262.49515	1.1
269.04532	8.1
270.04865	1.7
271.06100	32.5
272.06354	3.5
284.03372	2.4
285.03922	4.7
285.10971	1.2
286.04926	6.3
286.11615	1.3
287.05606	10.3
288.05841	1.5
301.07013	1.5
315.07401	2.0
339.07056	2.1
357.09766	1.5
357.13495	2.6
387.14508	7.4
388.15027	1.1
426.63889	1.1
431.09607	1.3
441.10449	1.6
459.11652	7.1
471.12646	1.1
495.18124	1.1
507.22467	3.0
508.22595	3.9
509.22916	4.0
533.20197	2.2
534.20428	4.5
535.21094	5.5
551.21619	1.5
552.21820	3.4
553.22101	3.6
561.15741	5.4
577.16022	4.9
579.17169	39.4
580.17700	5.4
595.16443	24.4
595.25269	1.4
596.17120	2.7
597.23358	2.9
609.18372	1.9
613.23169	1.3
635.15497	1.1
655.18109	2.6
665.17279	5.9
681.16724	2.9
757.28149	3.1
771.73022	1.2
801.21741	26.5
802.22388	5.3
808.21802	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	801.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.8
59.01247	19.1
61.44439	0.8
61.98695	6.0
63.02264	1.8
65.00197	23.4
66.05321	0.8
68.14146	1.2
69.03347	1.4
69.27419	6.4
69.27845	2.6
71.01246	11.4
72.99171	0.9
73.02808	2.7
75.00745	1.1
81.03294	1.0
83.01249	11.2
83.04899	1.2
85.02841	6.2
87.00742	1.9
89.02322	4.5
93.03318	5.1
95.01270	1.5
95.04892	0.9
96.95896	3.8
97.02850	1.4
99.00735	1.1
101.02312	7.2
103.03900	3.3
106.04137	1.6
107.01265	32.3
107.04916	1.4
108.02065	7.3
109.02883	5.9
111.00734	2.3
113.02280	4.2
113.05962	4.5
117.03323	1.6
119.03436	2.3
119.04902	12.7
121.02853	6.7
122.03141	1.2
123.00771	1.6
123.04375	1.8
124.01534	0.9
125.02323	7.4
128.76563	0.8
131.01305	0.8
133.02821	3.6
134.03624	4.5
135.04405	66.6
136.01541	1.8
136.04799	2.2
137.02354	4.2
139.00253	2.0
143.03352	1.0
145.02795	1.9
149.02335	10.0
149.05881	0.9
150.03090	1.6
151.00270	100.0
151.03731	1.9
152.01068	4.7
153.01761	2.6
153.09052	0.9
155.39801	0.8
160.03926	1.7
161.02327	7.6
161.04451	2.0
161.05901	1.2
161.09595	1.0
163.00099	0.9
163.03900	6.8
163.07494	1.0
164.01091	1.2
164.04683	6.3
165.01813	3.3
165.05438	1.5
167.03421	1.3
169.01332	2.0
172.91161	0.8
175.00255	6.5
175.03920	2.1
176.01004	3.2
177.01805	5.3
179.07019	1.2
181.05032	1.3
190.02646	10.1
191.03358	3.9
193.01331	3.8
193.04947	1.5
195.06531	1.2
195.13879	1.0
196.00037	1.4
199.04065	1.2
203.03415	0.9
205.01311	1.7
205.04993	10.8
209.04457	1.2
223.05963	5.9
225.88002	1.0
235.02486	2.5
255.02995	6.0
256.03409	2.0
257.03320	3.2
258.03729	1.9
265.09250	2.5
268.03748	3.2
269.04486	6.9
271.06119	2.5
272.05548	7.4
273.05914	4.0
283.02463	3.9
283.05612	1.2
284.03201	8.5
285.03983	10.7
285.07321	1.8
286.04269	3.6
286.07520	1.5
287.05490	6.0
299.05518	2.6
301.07147	2.0
305.13736	2.5
315.07355	1.1
383.06180	1.1
401.87842	1.0
407.84827	1.1
431.09827	2.2
434.10986	4.4
435.11230	3.8
441.10336	1.3
447.09027	1.4
449.18280	1.5
459.11716	4.3
553.22559	1.3
577.15814	7.9
579.17102	1.3
592.14246	3.0
593.15259	2.5
595.16595	47.4
596.16895	4.8
609.18140	2.2
613.23151	4.6
614.23608	1.0
621.18011	2.4
639.19971	1.0
652.01471	1.0
665.17230	11.3
666.16888	1.4
681.38049	3.0
757.29382	2.5
801.21307	24.9
802.22235	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	800.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.2
59.01241	2.6
60.99175	17.3
61.98690	1.3
65.00179	0.2
68.97086	0.2
71.01252	1.7
71.52434	0.3
71.80086	0.2
73.02800	0.2
83.01261	0.4
83.04900	0.2
85.02835	1.0
88.98673	100.0
89.02298	0.5
89.99026	0.7
90.56143	0.2
96.95879	0.4
101.02328	0.8
107.01214	0.3
113.02310	1.4
113.07099	0.2
119.04874	0.4
125.02283	0.2
130.06070	0.2
133.02962	0.2
137.02313	0.3
143.03357	0.2
149.02328	0.4
151.00221	0.9
159.04436	0.2
161.02338	0.8
161.04480	0.2
164.01039	0.6
164.04602	0.4
175.00250	0.4
175.07576	0.2
176.00980	0.2
184.93431	0.2
190.02559	0.6
191.03133	0.3
198.06348	0.2
205.05019	0.8
206.05276	0.3
223.05933	0.3
227.11295	0.3
229.80489	0.2
233.15294	0.2
269.04544	0.4
270.05026	0.3
285.07639	2.7
286.08032	1.4
469.71533	0.2
593.33582	0.2
611.34344	0.2
680.37653	1.3
681.38190	0.4
710.38934	0.9
711.38806	0.3
770.34192	0.5
783.38379	0.2
800.24872	2.2
801.25018	0.4
801.39349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	15.5
61.98704	1.9
70.32684	1.0
71.01242	3.6
71.52217	1.0
71.53036	1.0
76.99050	1.0
79.95613	3.3
80.96383	14.6
94.97948	4.1
102.60807	1.2
102.62207	1.2
113.02343	1.4
125.02380	1.2
154.89304	1.4
164.98549	1.9
165.68858	1.0
183.13853	3.7
211.13315	100.0
212.13556	5.7
225.00717	2.7
235.08093	1.3
253.09206	6.0
255.23306	1.1
275.24509	1.3
277.21704	58.6
278.22043	4.9
429.21298	1.9
447.22305	10.2
466.67310	1.3
605.77936	1.4
614.44043	1.1
636.44751	1.2
709.38739	9.1
710.38617	2.8
781.40912	3.4
799.41791	10.1
800.42755	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	800.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05685	0.2
59.01262	1.2
61.31762	0.3
61.98695	0.2
62.65687	0.2
69.18867	1.9
69.19286	0.5
71.01244	1.0
74.09097	0.2
85.02829	0.7
92.45406	0.2
93.03329	0.4
101.02312	0.6
103.03912	0.2
106.04128	0.7
113.02325	0.4
116.04945	4.6
117.03299	0.2
121.02873	0.3
132.04517	0.4
149.02332	0.4
150.03149	0.3
151.00311	0.2
159.03180	0.6
159.08089	0.2
160.03949	100.0
161.04297	4.0
165.09473	0.2
174.05519	0.4
181.04749	0.2
184.10822	0.2
190.02621	0.4
190.05084	0.3
204.02963	0.9
205.05013	0.3
218.04427	0.3
227.14342	0.2
241.14294	0.2
262.61096	0.2
265.09259	0.2
268.03754	0.6
269.04510	3.4
270.04852	1.5
283.06104	0.4
284.03128	0.2
285.04129	0.3
289.14481	2.9
366.08273	0.7
433.18600	2.7
467.18243	0.2
594.23364	3.3
595.23804	0.5
637.15961	0.4
638.13959	0.7
638.23877	3.4
639.23840	0.3
756.29175	1.1
757.29242	0.4
800.27740	9.7
801.28088	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	799.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	6.9
58.00473	1.7
58.83237	0.6
59.01249	100.0
60.01580	1.4
60.24773	0.6
61.98699	9.8
62.44852	0.6
66.96716	0.5
67.01752	0.7
71.01252	30.5
72.99176	2.1
73.02812	8.6
75.00725	0.7
79.01817	0.5
83.01250	3.5
83.04888	0.8
85.02818	18.9
87.00780	1.2
88.98669	0.9
89.02312	20.3
93.03335	2.0
95.01267	1.9
96.95901	1.9
97.02856	1.4
99.00746	2.2
99.04395	2.5
101.02316	17.9
103.03888	29.7
104.04222	1.4
106.04113	7.8
107.01272	0.9
107.04942	5.5
108.02071	1.5
109.02824	1.0
111.00784	0.9
113.02325	10.8
116.92670	0.9
119.03403	7.7
119.04915	4.4
121.02847	2.8
121.06470	3.3
123.04420	1.1
123.08067	0.7
125.02346	2.6
131.03441	0.9
134.03610	1.4
135.00699	0.6
135.04395	0.8
135.08029	1.9
137.02303	1.8
138.03125	2.1
143.03403	1.9
145.02820	0.6
145.04926	1.2
146.07242	0.8
147.04449	0.8
147.08041	2.5
148.05173	0.7
149.02327	3.4
150.03119	1.4
150.74519	0.6
151.00218	1.1
151.03949	1.1
151.11192	1.7
152.01030	1.5
153.01822	0.8
159.08093	1.7
161.02376	5.4
161.04431	4.3
161.05725	0.6
163.03900	1.9
163.32658	0.7
164.04630	0.9
165.05441	0.9
166.02623	1.3
167.03455	1.4
173.05948	0.9
175.03853	0.8
179.05553	6.6
182.02191	1.0
183.08084	1.8
190.02707	1.5
191.03304	0.7
191.07184	1.0
193.01187	0.7
193.04912	0.9
195.06529	1.0
203.07047	1.4
205.04950	1.5
209.11867	0.6
215.14339	28.1
216.14644	2.9
223.06117	1.0
227.03563	0.7
227.07062	1.3
241.12296	16.1
241.14583	1.4
242.12689	1.5
245.08133	1.0
259.13358	17.8
260.13718	2.0
265.09262	36.0
266.09607	2.5
268.03592	0.7
269.04575	2.7
270.04932	0.8
273.15082	0.7
281.50067	0.7
284.03336	1.0
285.04221	1.1
285.07977	1.5
285.11292	21.7
286.11688	2.2
293.04575	1.3
301.14468	2.0
303.12357	2.3
315.07532	0.7
327.12372	3.0
345.13461	5.3
357.74222	0.7
375.14532	1.1
385.23773	1.9
387.14447	2.4
405.15671	1.4
415.28488	0.8
417.15277	0.7
435.27322	1.3
441.26282	0.7
447.16568	1.0
452.36508	0.6
459.27557	15.2
460.27939	3.3
507.22318	1.9
519.29724	1.2
526.87732	0.7
533.20117	8.6
534.20270	1.8
551.21069	8.7
552.21741	1.1
577.15369	0.7
579.31805	1.3
591.31879	2.3
593.22693	1.7
621.32739	80.1
622.33014	15.2
623.23718	0.9
639.33789	20.7
640.34448	3.7
653.24689	1.9
661.35870	1.5
681.34753	9.9
682.35425	1.4
713.26385	6.5
755.30609	1.5
771.67468	0.7
781.28534	0.9
799.30054	65.0
800.30457	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	799.413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	5.2
58.00465	2.6
59.01250	100.0
60.01591	1.3
61.98697	8.0
69.26539	6.3
71.01250	29.3
72.99198	3.4
73.02817	7.3
75.00775	0.8
83.01239	4.0
83.04897	0.7
85.02821	20.1
87.00762	1.9
89.02316	18.0
93.03342	2.5
95.01273	2.8
96.95914	1.2
97.02784	1.2
98.20579	1.3
99.00769	1.8
99.04400	2.0
101.02316	18.1
103.03889	30.5
104.04266	0.9
106.04118	8.9
107.04926	5.0
108.02073	1.9
109.02894	1.0
111.00777	1.1
113.02325	11.8
118.44900	0.6
119.03392	7.2
119.04895	4.0
121.02868	2.4
121.06480	3.8
123.04388	1.1
123.08057	1.0
125.02341	3.2
130.60316	0.7
131.03482	0.7
134.03673	1.8
135.04427	0.9
135.08075	2.5
137.02327	2.2
138.03130	3.3
143.03409	1.6
143.46075	0.7
147.08064	2.5
149.02342	3.3
150.03137	1.5
151.00331	1.0
151.11179	1.4
152.01044	2.2
159.08147	1.5
161.02344	4.9
161.04457	4.4
163.03886	1.6
166.02621	1.1
167.03450	0.8
179.05556	7.1
181.05084	1.0
182.02196	0.7
183.08075	1.5
185.06094	1.2
190.02734	1.5
191.03484	0.7
193.04987	0.9
195.06552	0.7
203.07111	2.1
205.05038	1.1
213.12839	1.1
215.14354	27.8
216.14717	3.4
223.06145	1.7
225.09264	0.8
227.07088	1.7
241.12308	17.1
241.14598	1.1
242.12735	1.1
247.08267	1.1
259.13388	18.1
260.13934	1.4
265.06415	1.6
265.09265	32.2
266.09570	2.4
269.04599	2.3
269.08160	0.8
285.04297	1.1
285.07834	1.2
285.11310	20.9
286.11697	2.2
293.04581	1.0
301.14432	2.4
303.12402	1.8
315.07239	1.0
327.12308	2.3
345.13361	5.4
361.87442	0.8
379.62198	0.9
385.23813	1.1
387.14337	1.6
391.16458	0.9
399.25558	1.3
405.15616	1.4
415.28461	1.1
435.27399	1.2
447.16739	1.6
459.21539	1.4
459.27493	18.2
460.27753	2.1
507.22351	1.6
533.20215	8.8
534.20410	1.8
551.21271	7.5
552.21655	1.7
557.66534	0.7
577.33862	1.1
579.31836	2.2
591.31354	1.6
593.22693	1.5
621.32739	71.9
622.33221	13.7
623.23083	0.9
625.22144	0.8
639.33960	19.4
640.34167	2.7
653.24268	2.1
661.36292	1.2
677.25446	0.8
681.34851	7.7
682.35016	1.6
713.26703	6.1
714.26953	1.7
755.30585	1.3
799.30072	57.5
800.30444	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	7.2
58.49094	0.9
59.01249	58.1
61.98685	4.2
69.19761	3.2
69.20182	6.8
71.01254	24.8
71.44366	0.9
72.99207	1.2
73.02795	3.6
74.91013	0.9
78.22607	1.0
83.01244	2.7
85.02822	18.1
86.74741	1.0
87.00743	1.5
87.56685	0.9
89.02309	18.0
90.19168	0.9
93.03321	2.0
95.01187	1.5
97.02827	1.4
99.00740	1.7
99.04372	2.2
101.02308	12.6
103.03887	44.2
104.04226	1.0
105.02832	1.0
106.04117	13.1
107.04936	5.3
108.02059	1.6
113.02318	9.1
113.16802	0.9
119.03394	6.8
119.04903	2.8
121.02818	2.9
121.06455	5.0
125.02315	3.9
131.03410	1.3
133.10982	0.9
134.03581	2.3
135.08054	2.6
138.03072	2.6
143.03423	1.5
145.04974	1.3
147.08031	4.5
149.02316	3.5
150.03096	2.2
151.00198	1.0
153.01891	1.0
159.08006	3.5
161.02335	3.0
161.04504	2.2
163.03929	1.9
166.02580	1.1
179.05466	4.3
179.06839	1.0
182.02196	1.2
183.08031	3.0
185.06056	1.2
188.69557	1.0
190.06146	1.0
203.07021	1.8
215.14354	39.2
216.14563	2.8
227.07123	1.7
239.10738	1.2
241.12292	26.5
242.12520	1.7
247.08224	1.7
255.02831	1.0
259.13385	25.0
260.13800	1.5
265.09268	46.2
266.09485	2.2
269.04480	2.6
269.43460	1.0
285.11313	32.0
286.11612	2.8
301.14389	4.1
303.12256	2.9
315.41467	1.0
327.12271	3.3
345.13449	7.9
375.14511	1.3
387.14313	2.7
405.15286	3.0
447.16315	1.6
459.27402	6.8
507.22253	2.5
524.14246	1.1
533.20160	15.6
534.20294	1.2
551.21313	11.2
579.31152	1.3
593.22333	1.5
621.22906	1.8
621.32794	31.5
622.32983	3.9
623.23254	1.5
639.33649	10.0
653.24567	3.4
681.34650	3.6
695.25623	1.6
713.26624	9.0
714.26434	1.3
799.30176	100.0
800.30548	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	799.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	28.0
57.61481	0.2
58.03642	0.5
59.01250	10.6
69.03319	0.4
71.01256	4.7
71.52407	0.2
71.52805	0.2
72.02030	2.5
72.99186	0.3
73.02824	0.7
81.03341	0.4
81.06956	1.0
83.01273	0.4
83.04892	21.6
84.05228	0.8
85.02814	1.3
87.00761	0.3
87.04385	72.9
87.35559	0.2
88.04722	1.5
89.02307	0.9
93.03329	0.5
95.01251	0.3
95.04893	2.9
97.02818	0.4
97.06460	15.2
98.03603	2.1
101.02314	1.2
107.04892	0.4
109.02785	0.4
109.06458	1.1
111.08050	0.5
113.02316	0.8
113.05962	9.4
119.03451	0.4
119.04902	0.9
121.06467	1.5
123.08028	1.5
124.00645	0.2
128.75977	0.3
135.08028	2.7
137.09618	17.7
138.06749	0.6
138.09955	0.8
139.07562	2.1
139.11157	0.6
145.02809	0.3
145.06555	0.2
147.11684	0.4
149.09615	3.2
151.11240	1.4
153.09113	12.9
154.09419	0.5
160.03886	0.3
161.04416	0.4
161.09586	0.8
163.03900	0.4
163.11128	1.3
165.12770	7.0
166.13150	0.3
167.14284	0.4
175.11247	0.3
177.12794	1.6
179.10710	1.2
193.12276	1.6
195.13832	30.4
196.14182	2.0
201.12752	0.6
204.11505	0.6
204.83739	0.2
207.13795	0.3
209.15488	1.8
211.07596	0.5
219.13857	5.0
220.14163	0.4
225.14894	2.6
237.14920	100.0
238.15268	7.6
239.10440	0.5
239.12833	7.2
240.13145	0.3
269.04526	0.3
281.13931	32.5
282.14279	3.0
285.03922	0.4
341.03070	0.2
369.19202	2.2
387.20160	0.5
429.21283	2.2
430.21570	0.3
551.89954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	3.0
58.00429	1.0
59.00966	1.6
59.01248	28.0
61.98680	2.0
65.00178	0.7
67.01741	0.7
67.40407	0.7
70.46999	0.6
71.01247	18.9
71.52698	1.1
72.99164	0.9
73.02808	4.1
79.05394	1.9
83.01243	1.6
85.02348	1.3
85.02818	15.0
87.00746	1.4
89.02309	12.5
93.03320	1.9
95.01254	1.8
99.00734	3.0
99.04388	1.7
101.02323	10.1
103.03886	25.1
104.04176	0.8
106.04125	9.0
107.01269	0.8
107.04890	4.7
108.02057	4.0
109.02817	2.6
111.00742	2.8
113.02320	6.2
117.03294	1.1
117.05522	0.8
119.03398	5.3
119.04905	7.5
121.02829	2.7
121.06486	1.0
123.04393	1.2
125.02290	0.9
134.03615	3.0
137.02321	2.1
138.03094	2.9
139.73535	0.7
143.03355	2.4
146.08170	1.0
147.04398	1.1
147.08035	4.9
149.02304	3.2
150.03137	1.0
151.00302	1.0
152.01048	3.7
153.01779	2.1
159.08040	3.2
161.02428	0.9
161.04439	1.6
163.03940	3.8
164.04695	1.1
166.02580	1.2
171.08037	0.9
172.05135	1.3
173.05923	1.7
175.00250	1.4
176.01054	1.0
177.01775	1.5
179.05429	1.1
185.05975	1.9
186.06665	1.3
190.02596	1.6
191.03445	1.4
191.05209	0.8
197.06033	1.3
198.06740	1.6
203.07056	1.5
204.77029	0.8
205.04967	1.1
215.14355	24.5
216.14510	1.0
218.05792	1.0
223.06108	1.2
225.09184	0.9
241.12291	48.6
242.12636	3.9
245.08081	0.9
259.13370	14.4
260.13693	1.7
265.09259	47.7
266.09534	2.5
269.04602	4.5
281.12265	1.1
284.03308	5.7
285.04248	7.7
285.11295	49.2
286.11621	3.2
293.04517	3.4
299.05533	0.9
301.14444	2.2
303.12317	2.4
315.07123	2.3
327.12555	0.9
345.13397	5.0
375.14529	1.2
383.05942	0.7
405.15442	2.9
447.16730	1.3
465.17416	1.3
507.22446	1.4
533.20245	17.8
534.20642	2.4
550.26495	0.9
551.21222	100.0
552.21643	15.0
575.13751	2.0
577.15381	2.0
593.14734	2.4
593.22906	1.1
608.14532	0.9
611.27563	9.4
612.27759	1.2
619.14056	1.6
755.27563	20.1
756.27863	5.3
799.18884	5.3
799.33130	1.5
800.20502	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	10.7
58.00462	1.3
59.01245	20.2
61.98692	3.2
65.00185	1.7
71.01250	30.6
71.80389	1.4
72.99164	2.0
73.02815	8.9
77.42211	1.2
83.01292	3.0
85.02833	14.6
87.00747	1.7
89.02310	3.7
91.41773	1.2
93.03310	6.2
97.02812	2.3
99.00738	1.6
99.04382	6.2
101.02319	10.5
103.03887	53.0
106.04122	32.4
107.01280	2.4
107.04919	20.3
108.02039	4.8
111.00746	3.5
113.02320	4.7
116.92688	2.2
119.04904	14.8
121.02805	5.4
121.06505	7.9
123.08060	1.3
125.02311	4.3
135.04370	1.5
135.08047	8.7
137.02332	3.2
138.03143	10.1
141.01758	1.5
146.07222	2.2
147.08047	9.5
149.02357	7.9
150.03104	2.9
151.00259	5.7
151.03893	1.4
152.01030	1.7
157.04965	2.4
159.08038	5.5
161.04453	2.7
163.00273	2.0
163.03911	5.9
164.04614	1.8
181.05029	1.5
182.02098	2.0
183.06496	2.8
183.08049	7.1
185.05908	1.7
193.04973	2.5
199.11215	1.6
203.07121	1.5
205.04967	2.5
209.04614	1.5
213.12733	1.5
215.14346	100.0
216.14677	7.5
227.07045	2.9
237.04091	2.2
239.10524	2.0
241.12283	27.9
242.12653	2.8
252.49370	1.6
259.13367	60.5
260.13715	5.4
265.09286	7.6
269.04523	5.9
271.06085	7.1
284.03250	3.0
285.04022	7.5
285.11307	26.5
285.14468	2.6
286.11572	2.1
301.14453	7.7
303.12241	5.8
345.13293	5.8
429.15924	1.3
447.16306	2.2
465.21658	1.5
489.21057	2.5
507.22348	98.7
508.22650	12.7
533.20251	98.3
534.20477	14.1
551.21289	57.7
551.29926	2.3
552.21313	9.5
593.22198	4.6
617.51520	1.6
621.56030	1.5
755.27637	33.8
756.27661	7.3
772.60339	1.4
799.18909	2.8
799.31317	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	799.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	4.7
59.00960	1.8
59.01249	32.7
59.61240	0.8
69.03282	0.9
71.01252	23.5
71.52345	1.1
72.02003	2.2
72.99149	1.8
73.02820	13.3
81.03326	1.0
83.01254	5.3
85.02821	11.3
87.00744	1.3
87.04381	5.7
88.48782	0.8
89.02294	6.5
93.03329	17.5
95.01273	1.2
96.99185	2.3
97.02827	1.0
98.03587	1.0
99.00740	1.5
99.04385	1.0
101.02313	16.7
103.03884	16.7
106.04096	2.0
107.04938	1.0
108.02000	1.3
109.02827	1.5
109.72627	0.8
111.00719	1.1
111.08011	1.4
113.02317	6.4
114.70042	0.9
117.03333	1.8
119.03359	2.9
119.04912	38.8
120.05234	1.8
121.02825	3.8
122.03600	2.5
123.04404	4.6
125.02314	1.5
131.04904	3.2
133.02820	4.3
134.03622	14.6
135.04390	1.8
136.01524	2.4
137.02357	7.5
138.02773	0.8
138.05487	6.1
139.05847	1.3
139.11186	1.2
143.03328	1.4
143.04927	11.1
145.02864	1.9
145.06429	1.7
147.04367	2.8
148.05199	1.9
149.02371	4.8
149.04428	3.0
149.05963	4.7
150.03130	17.6
151.03906	6.9
151.11105	1.5
160.01570	8.6
160.03764	1.0
161.02295	3.6
161.04376	5.8
163.03905	29.5
164.04486	1.4
165.01765	1.2
165.05487	24.4
165.09117	1.4
165.12672	2.4
167.14304	1.6
171.04376	1.6
175.02386	0.6
175.03909	16.8
176.04684	6.2
177.01787	1.0
178.02631	6.1
179.03339	3.4
180.03989	2.0
181.04948	2.6
191.05447	1.5
191.07016	6.2
192.04167	1.1
193.04999	16.5
194.05296	1.4
195.06506	9.5
195.13847	1.7
197.15393	9.7
211.07629	4.8
211.16945	1.3
221.15292	1.3
235.05949	8.6
237.09232	4.5
239.05630	2.0
239.10600	2.1
239.16493	44.1
240.16733	2.2
241.14456	4.7
247.08107	1.1
249.11264	7.9
265.09070	24.0
266.09332	1.9
269.04407	2.4
283.09863	6.4
283.15463	16.1
284.15735	1.3
295.08456	1.4
309.07614	3.5
327.08713	100.0
328.09021	8.0
385.11444	7.2
386.11584	2.9
423.12994	4.8
441.13947	3.7
551.18744	1.0
619.20215	3.2
637.21387	15.0
638.21216	2.9
799.11456	1.8
799.26489	33.6
800.26605	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	799.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.0
61.98697	1.6
63.02269	1.3
65.00189	4.0
69.52339	3.2
71.01250	1.4
82.94499	0.4
83.01262	3.2
84.05585	0.4
85.02813	0.8
91.01725	0.4
93.03384	0.7
101.02309	0.7
107.01276	6.3
108.02055	1.5
109.01376	0.4
113.02335	0.5
119.01270	1.0
119.04921	1.5
121.02849	4.5
123.00775	0.5
125.02351	0.8
127.61448	0.4
135.04369	0.6
136.01529	3.3
140.04054	0.4
146.00371	0.4
147.00716	0.5
147.04410	0.9
149.02336	21.7
150.03014	1.3
151.00272	14.4
152.00916	0.5
153.11710	0.4
156.74713	0.5
157.44206	0.4
159.04431	0.6
160.05260	0.6
163.03812	0.6
164.01059	10.3
164.04694	14.8
165.01460	0.5
165.05115	0.8
175.00298	5.6
175.07565	3.2
176.01042	2.0
177.01822	1.7
179.07080	1.0
183.04494	0.6
184.05220	1.0
186.03136	1.6
187.03911	0.8
190.02631	14.2
191.03383	3.5
193.01349	1.0
196.00052	7.5
197.06009	0.8
198.06824	2.1
199.04041	0.6
199.07570	1.7
201.05469	3.4
205.04999	13.2
208.03636	1.9
209.04442	1.2
215.07106	0.9
217.08638	2.6
223.06061	18.0
224.06389	0.8
225.05498	0.9
226.06291	1.7
228.04312	0.7
241.04944	1.3
241.08675	5.9
243.06525	4.5
244.06720	0.5
256.07321	0.5
259.00650	0.5
269.04507	1.6
270.05328	8.6
271.05688	0.6
283.06061	0.6
284.06836	1.0
285.07669	100.0
286.07990	8.1
299.09244	1.8
309.07602	1.3
327.08679	3.0
339.08691	0.6
372.25778	0.4
387.10989	0.6
395.37463	0.5
411.12787	0.9
499.14896	0.5
575.17511	4.3
593.18726	34.8
594.18964	6.4
679.20227	1.2
781.36206	0.7
799.24487	31.4
800.24860	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	799.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.6
59.01245	13.3
65.00201	1.5
67.01756	1.5
69.17142	8.7
70.05286	0.8
71.01241	8.0
73.02808	8.3
75.00769	0.9
79.05402	3.3
80.40836	0.8
83.01254	3.4
85.02816	3.1
89.02289	1.0
91.73830	0.8
93.03334	1.6
98.20596	2.0
99.04374	6.4
101.02324	4.7
106.04117	22.8
107.01260	1.1
107.04317	1.0
107.04928	11.5
108.02014	4.2
109.02823	2.3
112.21841	0.9
113.02296	2.4
119.04898	4.9
121.02808	2.1
121.06477	2.5
125.02315	1.4
134.03648	1.8
134.96634	0.9
135.08060	2.0
137.02289	1.5
138.03139	6.1
143.37778	0.8
146.07300	1.8
147.08054	9.4
149.02303	2.1
150.03111	1.5
151.00287	5.8
152.01024	3.5
153.01781	1.0
158.03511	1.1
159.08067	6.4
161.04457	1.2
164.01031	3.3
166.02733	1.0
171.04442	1.4
172.05156	1.6
173.05963	2.9
175.07639	1.6
182.02130	2.5
183.04335	1.0
183.08076	1.6
185.06021	3.0
186.03139	1.2
186.06779	2.9
186.94203	1.0
196.00107	1.3
197.05952	1.5
198.06789	4.4
199.07381	1.0
199.11217	1.4
201.05518	1.7
203.07083	2.9
215.14343	71.9
216.14603	5.7
217.08482	0.9
218.05882	2.1
225.09091	1.2
239.10756	1.1
241.12286	54.0
242.12619	3.8
257.15341	0.9
259.13361	58.2
260.13773	4.4
269.04623	1.9
270.05234	2.2
285.07703	20.5
285.11288	100.0
286.08127	2.5
286.11642	6.9
301.14346	1.3
303.12360	66.4
304.12677	5.9
315.07065	1.5
327.11981	0.9
339.07019	1.0
345.13425	8.4
383.05881	1.0
465.17972	1.2
489.17603	12.8
490.18060	1.9
507.18674	70.6
508.18948	8.8
549.19843	2.3
711.24841	5.9
712.26392	1.1
739.24506	23.9
740.24707	3.1
799.30383	3.5
800.29413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73358	0.4
59.01242	0.5
61.42713	0.4
63.02259	1.0
65.00188	5.0
80.83543	0.4
82.90904	0.4
83.01237	2.8
87.42068	0.4
93.03342	0.6
107.01264	5.9
108.02055	1.7
119.01277	1.6
119.04905	2.2
121.02849	3.6
123.00754	0.5
125.02319	1.1
131.01198	0.5
135.04398	0.8
136.01527	2.8
147.04425	1.1
148.01431	0.5
149.02339	20.2
150.03032	1.8
151.00267	15.9
152.00879	0.5
159.04437	0.5
162.42790	0.4
163.03903	0.8
164.01054	12.4
164.04689	14.2
165.05162	0.8
175.00269	6.4
175.07535	3.3
176.01062	1.8
177.01825	1.8
179.07062	1.0
183.04453	0.6
186.03082	3.1
187.03935	1.4
190.02629	12.2
191.03386	2.3
193.01352	1.0
194.02148	0.5
196.00040	7.8
197.06085	1.0
198.06743	2.0
199.07547	1.4
200.04707	0.7
200.09842	0.5
201.05478	3.6
202.06174	0.7
205.04974	13.7
206.05370	0.9
208.03683	1.8
209.04485	1.1
217.08658	2.2
223.06050	19.0
224.06427	0.6
225.05518	0.7
226.06311	1.8
228.04153	0.9
229.68538	0.8
241.05013	1.2
241.08614	6.0
243.06592	4.2
244.06854	0.6
269.04456	1.6
270.05304	8.1
271.06143	1.2
283.06104	1.7
284.06799	0.9
285.07660	100.0
286.07993	7.3
299.09167	1.8
309.07675	1.5
322.81937	0.5
327.08630	3.4
328.08871	0.7
387.10928	1.4
411.12900	1.8
575.17688	4.6
576.18744	0.5
593.18719	37.6
594.18927	5.0
679.20447	1.2
799.24493	25.0
800.24707	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	799.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.5
61.46210	0.3
63.02280	0.6
65.00202	0.7
66.75217	0.3
70.31237	1.2
71.01252	1.0
73.02810	0.4
85.02837	1.2
93.03322	0.5
96.55558	0.3
101.02348	0.7
107.01254	1.4
110.04642	0.3
113.02356	0.5
115.52481	0.3
117.03342	1.3
122.99099	0.3
124.00653	0.9
131.03271	0.3
134.03644	0.3
143.50792	0.3
143.88515	0.3
147.04433	0.4
149.02351	0.8
151.00282	0.9
159.04382	0.4
161.02342	0.5
164.07072	1.2
165.05507	0.5
171.04430	0.3
183.04411	0.7
197.06044	0.3
201.05574	0.4
206.08163	1.4
225.05499	1.1
239.03477	0.7
240.04207	0.9
265.09277	0.6
268.03754	22.2
269.04535	100.0
270.04895	7.0
281.04489	0.4
285.03970	0.5
311.05576	2.2
413.08740	0.9
441.21790	0.3
577.15594	64.1
578.06830	0.6
578.15936	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	799.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03292	0.5
59.01244	3.9
61.98733	0.6
63.02278	1.6
64.99918	0.6
65.00224	1.7
69.30716	3.2
69.31140	2.0
73.02789	0.7
77.01868	0.5
83.01266	1.5
85.02825	1.8
89.02324	1.6
93.03365	2.3
101.02325	1.7
103.03912	2.1
107.01258	3.5
108.02059	1.8
109.02859	1.7
113.02311	1.2
117.03370	1.4
119.04925	1.0
121.02851	3.7
132.02011	0.7
133.02837	4.5
135.04436	0.6
137.02345	1.2
147.00806	0.6
147.04399	0.8
148.01515	1.3
149.02335	10.8
150.03169	4.0
151.00269	6.6
151.03809	0.6
152.01025	1.8
153.01779	1.3
159.04417	0.8
163.00221	0.9
163.03885	1.1
164.04689	6.1
165.05524	0.9
166.22499	0.6
169.01352	1.0
171.04410	1.2
173.02377	0.6
175.00340	3.0
175.03934	1.8
176.01060	7.1
177.01721	1.0
179.07082	0.6
183.04489	2.9
185.06067	1.0
190.02628	7.2
191.03419	12.2
194.02130	1.3
195.04584	0.5
199.03923	2.7
205.04993	2.4
208.03670	0.6
209.04500	2.4
211.03864	2.7
212.04758	0.8
213.05492	1.6
217.05132	1.4
223.06104	2.2
227.03423	7.5
241.05119	0.6
255.02954	26.4
256.03464	5.3
257.04449	1.1
265.09088	0.8
268.03622	0.8
269.04443	3.2
283.02466	41.0
284.03226	66.3
285.04007	100.0
286.04370	6.6
297.03818	1.0
298.04752	0.7
299.05508	7.4
300.05856	1.0
309.04056	1.2
315.07239	0.9
327.05020	2.8
415.14212	0.9
447.09265	2.2
471.14478	0.7
477.35403	0.6
489.10196	7.8
490.10706	1.9
515.85437	0.6
531.11285	1.9
550.11511	4.6
551.11975	11.0
552.12451	1.0
575.14032	8.2
576.14282	1.0
592.07153	0.7
593.15179	16.9
594.15369	2.6
607.16681	1.7
611.26801	1.2
755.17950	15.2
755.38257	0.9
756.18457	3.6
799.20685	49.7
800.21155	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	799.209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13599	0.7
57.03356	1.8
58.26317	0.7
59.01249	17.0
61.98698	5.2
63.02317	2.5
65.00194	4.7
68.99747	0.8
69.03357	1.0
69.41432	4.8
70.09409	0.7
71.01254	10.8
72.99240	2.2
73.02871	3.4
73.76015	0.7
75.00785	1.6
81.03368	0.9
83.01309	3.1
85.02817	5.5
87.00811	1.8
88.98691	0.8
89.02328	5.3
93.03342	6.0
94.54393	0.7
95.01331	2.1
96.95961	1.2
98.19814	1.2
99.00781	1.1
101.02319	6.3
103.03870	3.5
107.01337	2.9
107.04952	0.9
108.02056	6.9
109.02898	3.2
111.00832	2.4
113.02319	3.4
113.06076	0.9
117.03326	5.4
119.01309	1.7
119.03458	1.3
119.04919	5.4
121.02847	5.6
123.00866	1.6
123.04443	2.1
125.02412	2.5
133.02878	2.0
134.03687	2.5
135.00887	1.5
135.04497	1.8
136.98674	1.6
137.02357	6.0
137.06067	0.8
139.00301	1.0
143.03481	1.1
145.02910	1.9
147.00838	2.9
148.01591	1.3
149.02345	12.0
149.99530	1.7
150.03160	3.6
151.00287	7.8
151.03972	2.8
152.01050	7.2
152.02052	0.8
153.01805	5.0
157.06505	0.8
159.04446	1.9
160.01598	0.9
160.03958	1.7
161.02332	1.4
161.04512	1.6
162.03183	2.7
163.00301	3.9
163.03911	4.1
164.01089	1.6
164.04686	6.0
165.01833	5.5
165.05489	2.5
166.02583	0.9
167.03459	2.0
171.04451	1.3
173.00748	0.8
173.02365	0.7
175.00336	6.5
175.03935	1.6
176.01048	4.9
177.01932	3.1
177.05524	2.3
177.99075	1.3
178.02612	2.0
179.03394	1.1
179.05626	1.1
179.07056	1.7
180.04219	1.5
181.04985	1.8
182.02156	0.8
182.24055	0.8
183.04510	1.9
185.06010	1.3
187.03972	2.0
189.01851	6.6
189.05557	1.1
190.02605	9.0
190.99826	5.8
191.01854	1.0
191.03450	7.4
192.00526	2.0
193.01323	1.5
193.05083	1.3
194.02100	1.1
195.06583	1.7
195.13904	0.8
196.00177	1.3
196.05154	0.8
197.04442	1.4
197.06041	1.0
205.05006	9.9
206.02194	6.5
206.05348	0.8
207.02975	3.9
208.03883	0.8
209.04449	1.6
211.04085	1.5
212.04800	1.0
213.05576	1.5
221.01060	1.0
221.04544	6.4
223.06050	4.3
227.03459	3.3
239.03503	1.6
239.05515	6.3
240.04129	1.7
241.04999	2.3
241.12325	1.1
241.14371	1.6
251.05695	0.8
255.02972	4.5
256.03680	2.7
257.04510	2.5
265.09311	2.5
267.03009	1.5
268.03745	25.6
269.04535	100.0
270.04916	10.2
283.02487	4.4
283.06091	2.1
284.00046	1.1
284.03241	32.0
285.04050	68.1
285.07553	4.3
286.04498	4.6
289.14420	1.3
293.04523	7.4
299.05603	6.9
305.44843	0.7
308.84222	0.8
311.05524	1.3
315.07272	4.3
323.05554	0.9
383.06195	1.7
413.08252	1.0
429.08405	2.2
431.09763	1.8
447.09180	1.5
449.08701	1.2
551.21405	2.9
559.14575	14.3
560.14673	2.2
575.14069	5.3
577.15582	37.8
578.16187	3.7
593.14923	13.4
594.15106	1.5
607.16479	2.1
619.14661	4.0
632.12939	1.1
679.36444	1.7
755.28296	2.5
767.17633	0.8
771.20483	1.5
799.20062	31.2
799.31708	3.3
800.20551	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	799.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21775	0.4
57.03334	0.6
59.01241	4.1
63.02285	1.6
65.00220	1.2
65.87940	0.5
67.80898	0.5
69.30613	1.2
69.31013	4.0
71.00906	0.6
71.01246	3.1
71.09479	0.5
73.02820	0.7
80.05532	0.5
83.01273	1.6
85.02835	1.9
89.02312	1.5
93.03363	1.7
98.20528	0.7
99.00742	0.5
101.02332	1.2
103.03932	1.3
107.01292	2.1
108.02068	1.6
109.02841	1.5
111.00761	1.2
113.02332	1.2
117.03358	1.8
121.02823	3.2
122.13439	0.5
123.04407	0.8
125.02332	0.8
132.02100	0.9
133.02835	4.0
134.03700	0.7
135.04428	1.4
137.02328	1.2
147.00793	0.7
148.01537	0.9
149.02336	10.2
150.03152	2.4
151.00261	5.4
151.03995	0.7
152.01030	2.2
153.01842	1.2
159.04306	0.6
163.00211	0.7
163.03954	0.9
164.04730	4.5
165.05408	1.1
167.04991	0.8
169.01324	0.8
169.06511	1.1
171.04420	0.9
174.47749	0.5
175.00310	2.2
175.03934	1.5
176.01079	6.3
177.01765	1.1
182.03755	0.5
183.04471	4.5
185.02470	0.5
185.06050	1.5
187.03946	1.6
188.04727	0.7
190.02628	5.0
191.03439	8.3
194.02168	1.6
198.03194	0.7
199.03915	1.8
205.04987	2.5
209.04509	1.9
211.03954	2.8
213.05507	1.0
215.03452	0.7
217.05049	1.1
223.06084	2.0
227.03441	9.0
228.03899	1.1
229.04939	1.1
239.03537	0.8
241.04997	1.6
243.02959	1.0
252.55130	0.5
255.02957	38.1
256.03571	5.8
257.04520	1.0
265.09155	1.0
269.04565	2.6
283.02469	63.8
284.03229	57.1
284.06552	1.1
285.04013	100.0
286.04398	5.6
297.04099	1.7
297.12076	0.7
298.04834	0.9
299.05612	8.0
300.05896	0.8
315.07272	0.8
326.04199	0.7
327.05164	3.0
383.06259	0.7
429.17136	0.6
447.09100	1.7
465.71252	0.5
489.10318	15.1
490.10516	1.7
531.11426	3.3
550.11176	7.3
551.11914	15.6
552.12201	1.8
575.14246	5.7
576.14288	0.8
593.07373	0.4
593.14972	12.4
593.23987	0.4
594.15228	1.4
607.16101	1.3
611.27148	2.7
715.74628	0.5
755.18164	24.3
756.18665	4.8
799.20660	35.8
799.31909	1.7
800.20947	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	798.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73697	0.2
58.02846	13.0
59.01257	0.7
61.82903	0.2
68.33852	0.2
69.16772	1.3
69.17205	1.0
70.02852	5.7
70.03221	0.3
71.01264	0.2
72.00770	3.9
75.00716	0.2
85.02815	0.5
91.05415	2.2
101.02351	0.3
119.04961	0.3
135.04431	0.8
147.04414	23.7
148.04742	1.0
151.07568	1.0
160.04042	0.2
162.09174	0.7
163.07567	0.8
164.07077	67.5
165.05542	0.2
165.06030	0.3
165.07396	2.7
165.87912	0.2
173.04367	0.2
177.05453	0.4
193.96008	0.2
206.08157	100.0
207.08504	5.4
250.07214	1.1
268.03699	0.4
269.04550	4.9
286.04269	0.2
299.01807	0.3
385.18680	3.5
386.18857	0.3
547.23865	0.9
577.15601	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.6
65.00185	1.8
67.01761	2.8
69.38274	2.2
73.02823	5.4
83.01246	0.8
93.03321	0.6
97.02834	4.9
98.67532	0.2
99.04398	0.7
111.00760	12.0
115.03859	0.3
115.05093	0.3
119.04913	67.2
120.05261	2.4
125.02371	0.3
135.04399	0.3
143.03400	13.4
144.03754	0.5
154.99776	0.4
161.04570	0.3
163.03918	100.0
164.04248	4.0
169.01332	16.1
169.02811	0.6
170.01724	0.5
187.02443	1.7
227.03464	0.4
255.03073	0.5
284.03339	0.5
285.04114	0.3
351.07214	0.7
447.09445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	11.6
58.00469	1.3
59.01249	16.0
61.04219	0.8
61.98705	7.2
70.86507	1.4
70.86842	1.6
71.01247	23.2
71.04869	1.2
72.99180	1.2
73.02808	3.6
83.01261	2.2
85.02821	26.9
87.00737	3.1
87.04337	1.2
88.98665	1.7
89.02330	3.9
93.03330	12.4
95.01259	1.9
96.95964	1.2
97.02831	1.8
99.04396	4.9
101.02327	8.1
102.06153	1.0
103.03889	62.7
104.04202	1.9
106.04141	5.9
107.04928	7.9
109.02773	1.2
113.02319	5.0
117.03349	1.3
119.01263	2.3
119.03371	2.0
119.04922	3.1
121.02829	14.1
125.02323	1.5
133.06464	2.4
135.04404	1.4
137.02356	2.6
143.03442	1.6
147.00774	2.0
147.04372	3.1
147.08080	1.2
149.02350	56.2
150.03001	3.0
151.00285	2.5
152.01083	2.2
155.97250	1.0
157.05060	1.7
157.06451	1.1
159.08052	1.5
161.02356	1.1
161.04498	1.2
163.03880	3.0
163.07408	1.0
164.04697	35.8
165.01825	1.4
165.05092	0.9
166.02550	1.3
175.00287	11.6
179.07033	3.5
182.02119	3.4
183.08061	2.3
190.02641	23.3
191.03271	1.3
193.01340	2.5
197.09608	2.1
203.06969	2.1
205.05008	26.6
206.05304	1.5
208.03699	4.5
209.04250	1.1
211.11273	6.9
213.12766	17.7
214.13239	2.0
221.18983	1.4
223.06059	68.7
224.06441	2.8
227.07072	1.4
231.06258	1.1
239.10727	9.4
241.08598	1.5
247.07985	2.5
257.11792	28.9
258.12222	1.6
265.09296	17.8
268.03760	44.8
269.04150	5.6
271.13419	3.4
283.06134	70.8
283.09653	9.8
283.19150	1.9
284.06357	6.9
297.11420	1.1
299.12827	6.6
301.10794	43.0
301.20224	4.6
302.11145	2.8
315.12357	3.6
325.10760	2.4
325.19962	1.4
343.11819	17.2
344.12100	2.1
357.13358	2.1
385.12921	4.5
403.13937	2.8
411.13019	3.9
431.11514	1.1
463.16208	1.2
513.16223	2.0
531.19128	5.1
549.19794	29.7
549.28162	1.5
550.19910	4.9
591.20575	5.0
592.22144	1.3
621.21759	1.5
651.22986	6.2
693.23505	1.4
711.24872	15.7
712.26068	1.9
797.28485	100.0
798.28937	22.8
798.41498	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	797.251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	6.0
58.00467	0.8
59.01250	18.1
61.98695	4.2
66.17389	0.6
69.03342	0.9
70.17371	1.5
70.17768	1.1
71.01254	24.6
72.01585	0.6
72.99176	1.5
73.02809	3.5
74.49431	0.6
83.01240	2.2
85.02818	12.7
87.00721	1.7
89.02312	5.5
93.03336	14.6
95.01258	0.9
96.95872	1.0
97.02800	0.8
99.00732	1.2
99.04401	2.9
100.46426	0.7
101.02321	6.3
103.03887	25.7
106.04137	5.3
107.04922	6.0
108.02031	2.6
109.02827	1.4
111.00726	1.4
111.04382	0.7
112.01562	0.6
113.02321	4.7
119.03381	1.9
119.04912	3.2
121.02834	2.7
121.06529	0.7
123.04398	1.1
125.02312	1.5
133.02791	0.9
133.06468	1.9
134.03651	0.8
137.02341	5.4
138.03104	1.5
143.04909	1.3
145.02823	0.9
145.06534	1.0
147.08095	1.4
149.02368	3.5
150.03165	3.5
151.00250	0.8
152.01051	1.8
153.01772	1.9
156.48369	0.7
157.06476	1.2
159.08080	1.3
163.03850	0.9
165.05444	0.9
165.08986	0.9
166.02582	1.4
167.03299	0.7
173.09622	1.7
182.02115	2.7
183.08037	1.9
189.05516	1.7
189.09117	1.5
190.02631	0.8
197.09615	1.6
201.05531	0.7
205.04955	1.6
211.11191	5.7
213.12793	12.2
214.13158	1.3
227.07076	0.7
229.08778	0.7
231.10173	2.2
239.10670	4.6
239.12836	0.8
241.08617	0.8
241.14391	0.8
247.08255	1.0
257.11798	21.2
258.12164	1.6
265.09293	10.0
268.03760	1.2
269.04449	1.8
271.05615	0.7
271.13275	1.1
283.06403	1.0
283.09747	4.0
297.11374	1.1
299.12833	2.6
301.10788	25.0
302.11301	1.4
304.45422	0.7
315.12366	2.6
343.11829	10.1
344.12183	0.9
346.54364	0.7
383.44492	0.7
403.14108	1.5
463.15863	1.0
465.94925	0.6
531.18726	21.6
532.19037	2.7
549.19757	100.0
550.20135	12.8
591.20905	3.3
753.25616	13.3
753.36938	1.2
754.25745	3.0
797.30872	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	797.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.3
61.98701	3.6
65.00190	0.9
71.01250	2.7
71.32196	0.6
72.61172	0.5
72.99187	0.5
73.02812	0.6
81.32072	0.4
83.01268	0.6
85.02830	1.1
87.00758	1.0
87.66766	0.4
88.98676	0.9
89.02322	0.9
91.01781	0.9
91.02334	0.4
91.05387	0.8
93.03334	1.9
96.95875	1.1
98.53785	0.4
101.02315	1.5
109.02852	0.5
113.02347	0.9
117.03342	1.0
119.01295	2.4
119.04925	1.3
121.02840	13.4
122.03140	0.5
123.04366	0.4
125.02373	0.5
127.03901	0.5
132.02057	0.9
134.03592	0.8
135.04408	1.7
137.02353	0.5
140.29118	0.3
147.00774	1.6
147.04436	3.5
149.02342	65.6
150.02641	2.8
151.00301	0.8
152.01054	1.9
163.03920	2.1
164.04698	49.7
165.01860	1.6
165.05159	1.8
167.03477	0.4
169.05022	0.7
171.04462	0.4
175.00272	13.8
176.00716	0.5
177.01814	0.4
179.07056	5.8
180.07364	0.4
190.02637	28.1
191.03021	2.1
193.01306	2.7
205.04993	33.8
206.05307	1.7
208.03694	6.8
209.04320	0.6
219.95435	0.5
223.06059	91.9
224.06383	5.0
239.03481	1.0
240.04265	1.1
261.99231	0.3
267.03140	0.5
268.03748	65.4
269.04132	5.9
271.13300	0.4
272.29553	0.4
283.06094	100.0
284.06406	7.5
289.14603	1.0
351.10751	1.7
411.12924	4.2
412.13336	0.5
451.19540	0.6
513.16223	2.5
519.18500	0.7
540.53882	0.5
541.03625	0.4
559.14301	0.6
797.22778	21.5
798.23083	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	797.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	4.4
58.00441	0.9
59.00951	1.2
59.01247	19.1
60.01539	0.6
61.98697	4.1
67.66325	0.5
69.20435	2.9
69.20866	3.0
69.36781	0.6
70.79578	0.6
71.01247	26.9
72.99171	1.5
73.02817	4.6
75.00744	0.8
81.03341	1.2
83.01270	1.8
83.04877	0.6
85.02818	12.7
87.00751	1.4
88.98675	1.4
89.02327	4.0
89.31360	0.5
93.02769	1.0
93.03329	16.6
94.03654	0.7
95.01226	1.6
95.04868	0.8
95.27023	0.6
96.95892	1.6
97.02814	1.1
98.19843	1.2
99.00740	1.5
99.04371	4.2
101.02319	8.4
103.03886	23.4
106.04128	4.9
107.01221	1.3
107.04896	4.5
108.02028	2.6
109.02808	1.7
111.00760	1.6
111.04207	0.7
112.41350	0.5
113.02324	4.4
116.92683	1.0
119.03365	1.7
119.04877	3.9
121.02834	2.4
121.06470	0.7
123.00719	1.0
123.04393	1.9
125.02303	1.8
125.09615	0.7
132.05624	0.6
133.06454	0.8
134.03632	0.9
135.04376	1.0
136.01501	0.7
137.02338	7.0
137.05971	1.3
138.03101	2.1
143.03365	0.6
143.04848	1.0
145.02852	1.3
145.06502	1.6
146.08177	1.3
149.02327	3.3
150.03046	2.5
151.00229	1.6
151.03842	1.3
152.01024	2.6
153.01855	1.4
157.05003	1.3
157.06389	1.4
159.04416	0.7
159.08012	1.4
160.03908	1.7
161.04379	2.2
161.05779	0.7
163.03902	2.1
164.04718	1.2
165.01840	1.3
165.05540	1.4
166.02415	0.9
167.03384	2.4
171.07887	0.6
173.09612	0.7
177.01836	1.2
179.05528	1.1
181.04980	1.0
182.02097	2.2
183.08017	1.4
189.05382	0.6
190.02621	1.2
193.05013	0.9
195.06528	1.1
197.09616	1.1
201.05518	0.8
205.04993	2.0
211.11212	7.6
213.12782	19.2
214.13127	1.3
215.10773	1.0
221.18973	0.7
223.05962	1.0
231.06487	0.6
239.10741	9.4
240.11118	1.0
241.08517	0.7
241.14519	1.1
247.08302	0.8
256.10626	0.6
257.11792	16.4
258.12274	1.5
265.09201	4.5
268.03552	1.1
269.04581	1.0
271.05984	0.9
271.13394	2.6
283.06448	0.9
283.09662	7.5
283.19083	1.6
289.14551	0.8
299.12784	5.3
301.10806	33.7
301.20065	2.2
302.11118	2.3
315.12439	1.6
325.11087	0.8
343.11792	12.6
343.15891	0.9
344.12115	1.7
373.12534	0.7
385.13162	0.9
403.13715	2.6
417.15652	0.6
463.16098	2.0
465.73993	0.6
505.20560	1.3
531.18695	24.5
532.18921	3.1
547.91858	0.6
549.19757	100.0
550.20081	15.3
591.20526	2.0
602.41248	0.8
633.38367	1.1
651.39508	0.9
711.41876	1.1
744.49719	0.6
753.25427	16.5
754.25861	3.7
797.31824	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.9
61.98713	0.6
63.02285	0.4
65.00214	0.6
65.38226	0.3
71.01261	1.1
83.01285	0.7
85.02827	0.7
87.00770	1.2
89.02326	0.5
89.03851	0.6
91.01791	1.1
91.05422	0.7
93.03323	2.0
98.20560	0.7
101.02332	0.8
103.03884	0.6
107.01307	0.7
109.02834	0.3
113.02338	0.5
117.03364	1.1
119.01260	3.4
119.04890	0.8
121.02837	15.8
125.58137	0.3
127.03892	0.4
132.02016	1.4
134.03613	0.7
135.04390	1.9
137.02341	0.6
147.00786	1.8
147.04404	3.7
148.01535	0.4
149.02339	78.6
150.02657	2.4
151.00253	0.8
151.03864	0.4
152.01045	1.5
161.02301	0.4
162.03094	0.6
163.03915	2.3
164.04691	51.9
165.01805	1.3
165.05002	2.1
167.03400	0.3
169.04962	0.7
172.05194	0.3
175.00275	15.2
176.00725	0.9
177.01883	0.5
179.07043	4.7
189.01805	0.8
190.02631	32.4
191.02975	1.7
193.01343	3.2
195.04480	0.3
200.04689	0.4
205.04997	34.0
206.05327	2.5
207.02969	0.5
207.06511	0.3
208.03696	7.2
209.04318	0.4
212.04648	0.3
223.06056	99.1
224.06396	5.0
239.03435	0.9
240.04152	1.2
251.11197	0.2
267.02945	0.7
268.03745	73.7
269.04120	7.0
283.06091	100.0
284.06442	8.3
321.06070	0.3
325.07202	0.6
351.10922	2.2
411.12967	4.2
412.13123	0.6
478.61420	0.3
495.14999	0.3
513.16040	1.9
514.16058	0.3
586.67328	0.3
591.16870	0.5
797.22791	21.9
798.23279	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	797.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	3.1
59.01247	23.1
61.98702	8.5
63.02238	1.5
65.00188	5.4
71.01247	15.3
71.52726	1.5
72.99146	2.0
73.02790	2.9
81.03288	1.9
83.01270	5.8
83.04868	1.3
85.02811	7.2
87.00748	1.8
88.98653	3.8
89.02320	5.2
91.01701	1.2
93.03331	28.0
95.01244	1.7
96.95869	2.2
97.02814	1.0
101.02322	7.6
103.03898	6.2
107.01282	8.6
107.04855	1.6
108.02060	7.5
109.02798	4.1
111.00687	1.7
113.02322	5.6
116.92702	1.0
117.03338	6.4
119.01221	3.1
119.03385	2.1
119.04915	10.6
121.02847	5.9
122.69224	1.1
123.04383	2.7
124.39805	1.0
125.02332	6.9
125.05937	1.6
134.03534	3.0
134.04488	1.1
135.04337	1.2
137.02345	38.8
138.02678	1.2
145.02736	3.5
147.00751	1.9
147.07965	1.4
149.02345	15.0
150.03009	2.7
151.00279	15.4
151.03816	2.1
152.01073	5.6
153.01743	2.9
153.05324	1.4
159.04346	1.9
160.01579	1.1
161.02286	1.7
161.04350	2.8
161.05650	1.2
163.03841	3.9
164.04672	10.9
165.01773	2.0
167.03329	2.0
169.01364	1.2
173.05943	1.8
175.00285	16.2
177.01746	3.1
179.06987	1.6
181.04964	1.8
181.06389	1.0
182.81371	0.9
183.04420	1.1
185.05846	1.0
190.02638	35.3
191.03087	1.8
191.06870	1.8
193.04939	1.4
195.13832	1.9
205.05000	43.9
206.05246	2.2
208.03612	2.3
211.03935	1.1
223.06065	25.1
224.06432	1.1
227.03377	1.2
240.04111	3.6
245.08005	2.5
265.09177	3.6
267.02701	1.2
268.03748	100.0
269.04507	77.4
270.04910	5.8
271.06110	19.8
271.12952	1.1
272.06323	2.0
283.06094	75.7
284.06436	6.2
285.04077	1.4
315.06723	1.4
367.10086	1.9
455.83566	1.1
511.95438	1.2
512.84308	1.1
513.15979	2.4
559.14417	14.0
560.14935	2.3
573.38336	2.2
579.16553	2.8
591.17047	1.1
591.38898	1.2
635.38013	12.4
657.54529	1.1
659.25098	1.6
753.30695	2.5
797.22375	56.0
797.45245	1.7
798.22418	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	797.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.6
59.01251	9.3
61.98701	0.9
63.93326	0.3
65.03817	0.4
67.01749	0.7
71.01251	5.2
72.71299	0.3
73.02812	3.6
75.00728	0.5
79.05401	0.4
80.19688	0.3
83.01251	1.6
85.02834	2.6
87.00747	0.5
87.33949	0.4
89.02309	1.4
93.03330	16.7
94.03696	0.5
95.01239	0.3
96.95879	2.0
97.02818	0.8
99.04393	3.7
101.02325	3.7
103.03886	2.1
106.04117	7.4
107.04910	5.0
107.08535	0.8
108.02037	1.4
109.02821	0.6
113.02328	1.7
115.90755	0.3
119.03400	0.7
119.04893	1.7
121.02832	1.8
121.06495	0.6
123.04379	0.5
125.02306	0.7
133.06500	0.6
134.03619	0.4
135.04442	0.4
137.02325	1.7
137.05974	2.0
138.03128	2.1
143.03339	0.7
143.04927	1.4
145.06491	1.1
147.08078	0.6
149.02342	1.3
150.03157	2.4
151.00253	0.7
151.03850	0.4
152.01053	1.1
153.01787	0.5
157.06485	1.3
159.08018	1.6
160.03934	3.5
161.04446	1.2
163.03975	0.8
164.04688	0.7
167.03470	0.5
170.07277	0.6
173.09698	0.5
175.00240	0.6
181.04970	0.6
182.02100	2.1
183.08087	1.2
187.07141	0.4
190.02626	1.4
194.05931	0.4
195.06487	0.5
195.11792	0.4
197.09578	1.4
198.10483	0.5
201.05511	1.0
203.05507	0.6
205.04974	0.8
209.09653	0.4
211.11220	8.9
212.11554	0.6
213.12787	19.8
214.11099	0.4
214.13135	1.6
223.05936	0.5
224.08267	0.4
229.54880	0.5
237.09271	0.6
239.10698	7.7
240.11009	0.8
241.08676	0.7
255.10435	0.4
257.11795	18.4
258.12128	1.8
264.08084	0.4
265.09210	1.1
268.03793	0.4
269.04553	0.7
271.13461	0.7
283.02640	0.5
283.06247	0.9
283.09714	4.4
297.11517	0.6
299.12961	1.0
301.10788	100.0
302.11127	8.6
302.14310	0.8
307.10110	0.5
315.12540	1.0
343.11859	9.2
344.12112	1.0
355.11734	0.7
367.11707	0.4
505.17157	20.2
506.17505	3.2
547.18134	0.5
611.64624	0.4
633.38770	0.4
651.39093	0.5
797.30688	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	793.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.2
55.34875	0.2
59.01244	1.2
61.98693	1.6
65.82260	0.2
69.55996	1.4
71.01252	0.8
73.02811	6.1
75.00737	2.0
87.00746	0.3
89.02311	0.8
92.92796	0.2
99.00750	1.5
99.92451	10.2
100.92468	0.6
101.02318	0.3
103.10236	0.2
114.93279	0.4
116.03434	0.6
116.92737	100.0
116.97108	1.3
117.01810	11.3
117.05453	0.6
117.92741	4.6
118.02182	0.2
178.04724	0.2
178.84151	0.2
235.08276	0.2
256.91525	0.2
277.21637	0.8
323.79312	0.2
397.13547	1.2
415.14413	0.3
455.04666	0.2
469.23041	0.2
503.71680	0.2
517.43451	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	9.1
58.00446	2.3
59.01247	78.0
61.98712	8.1
68.99684	2.3
69.41686	3.7
69.42104	9.9
71.01247	52.6
72.99172	5.6
73.02823	23.6
75.00737	3.9
81.03339	3.0
83.01244	13.1
83.04889	4.1
85.02821	43.0
85.94453	1.5
87.00750	7.6
89.02318	22.6
89.46989	1.5
91.82698	1.7
93.03350	8.7
95.01268	5.3
97.02825	4.8
99.00774	4.1
99.04402	2.0
101.02325	32.0
103.03883	51.2
106.04122	2.2
107.04923	3.0
108.02047	62.5
109.02845	22.0
111.00742	7.4
113.02332	17.9
115.00304	2.2
117.03325	2.9
119.03404	10.6
119.04919	7.3
121.02842	6.5
122.03664	2.1
123.00780	2.7
123.04447	4.4
125.02306	4.7
129.01825	2.9
130.79175	1.5
133.06540	2.1
135.04410	5.4
135.06532	4.3
137.02328	8.8
143.03413	3.6
145.02893	2.5
145.05092	1.7
149.02263	3.9
149.06012	2.9
150.03108	3.4
151.00272	3.4
151.03886	3.2
152.01050	63.5
153.01840	20.0
153.05524	2.2
155.03392	1.8
159.02936	1.6
159.08044	1.9
160.03954	7.7
161.02399	3.0
161.04454	7.0
161.09657	3.0
163.03961	5.7
163.11200	3.6
164.04695	4.0
164.19899	1.7
165.05417	3.5
175.03947	2.4
175.11223	2.9
177.01813	1.8
179.03432	6.5
179.05525	3.2
187.11237	6.4
189.09129	4.9
191.03464	1.7
191.07007	2.5
193.05009	3.3
195.06543	2.9
202.78206	1.7
205.05043	6.0
205.12273	10.0
207.10178	2.8
211.07571	2.4
223.06136	4.0
225.07628	2.1
227.12961	1.7
241.04819	2.1
247.08223	3.5
249.11292	5.6
265.09244	39.2
269.04559	5.8
285.04193	2.4
289.11987	3.1
295.36658	1.7
297.11868	4.5
299.01981	2.8
307.10385	21.2
315.07239	10.1
316.07532	1.7
333.10770	3.5
367.17709	2.8
393.15582	3.3
411.16449	9.4
453.17392	3.1
455.19138	2.8
497.20297	3.6
547.24249	4.1
599.02344	2.2
709.23157	3.3
751.24176	83.1
752.24823	17.8
777.32489	3.4
795.32898	100.0
796.33411	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	793.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.6
58.00462	1.2
59.01241	11.5
61.43795	0.9
61.98697	0.8
64.19262	0.9
65.00198	1.7
67.01756	3.2
69.67944	0.8
70.64989	0.8
71.01247	8.0
71.52564	1.7
72.99170	9.3
73.02809	7.8
83.01252	4.1
85.02811	10.0
87.00742	1.0
89.02302	4.5
93.03341	3.6
95.01243	1.3
96.95862	2.3
97.02829	3.9
99.04375	1.1
100.25462	0.9
101.02318	7.3
103.03882	9.9
107.64629	0.8
108.02037	5.8
109.02850	4.1
111.00759	49.5
111.04390	0.8
113.02328	3.3
115.03903	1.5
119.03444	2.4
119.04910	71.3
120.05239	3.5
121.02873	1.7
123.04362	2.1
125.02323	1.3
129.01845	1.7
136.06677	0.8
143.03394	14.4
143.04498	1.3
143.04915	1.0
145.02818	1.4
149.02333	1.4
149.05937	1.1
152.01068	5.5
153.01819	1.8
154.99742	4.8
159.04405	1.0
160.03947	4.2
161.04401	1.3
162.47899	1.0
163.03908	100.0
164.04288	3.3
168.99959	1.5
169.01324	20.4
173.00807	9.7
175.03949	1.4
187.02393	3.3
193.04953	1.3
196.03055	0.8
205.03452	43.8
206.03891	1.1
224.61888	0.8
226.06319	1.4
238.06454	1.1
241.08728	1.2
241.14449	1.6
251.07018	1.8
253.08824	2.0
265.09262	31.4
267.10233	1.0
269.04489	1.5
277.09317	1.3
283.15594	1.3
285.03995	2.9
301.03094	1.1
315.07230	1.2
351.07019	1.7
357.09793	4.3
365.49164	1.0
376.48364	0.9
402.49399	0.9
411.12607	1.0
424.20364	0.9
447.09326	1.5
545.22681	1.3
561.19586	2.0
605.18707	16.5
606.18860	2.6
631.20782	3.6
793.25244	7.4
794.27966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.6
58.00462	1.2
59.01241	11.5
61.43795	0.9
61.98697	0.8
64.19262	0.9
65.00198	1.7
67.01756	3.2
69.67944	0.8
70.64989	0.8
71.01247	8.0
71.52564	1.7
72.99170	9.3
73.02809	7.8
83.01252	4.1
85.02811	10.0
87.00742	1.0
89.02302	4.5
93.03341	3.6
95.01243	1.3
96.95862	2.3
97.02829	3.9
99.04375	1.1
100.25462	0.9
101.02318	7.3
103.03882	9.9
107.64629	0.8
108.02037	5.8
109.02850	4.1
111.00759	49.5
111.04390	0.8
113.02328	3.3
115.03903	1.5
119.03444	2.4
119.04910	71.3
120.05239	3.5
121.02873	1.7
123.04362	2.1
125.02323	1.3
129.01845	1.7
136.06677	0.8
143.03394	14.4
143.04498	1.3
143.04915	1.0
145.02818	1.4
149.02333	1.4
149.05937	1.1
152.01068	5.5
153.01819	1.8
154.99742	4.8
159.04405	1.0
160.03947	4.2
161.04401	1.3
162.47899	1.0
163.03908	100.0
164.04288	3.3
168.99959	1.5
169.01324	20.4
173.00807	9.7
175.03949	1.4
187.02393	3.3
193.04953	1.3
196.03055	0.8
205.03452	43.8
206.03891	1.1
224.61888	0.8
226.06319	1.4
238.06454	1.1
241.08728	1.2
241.14449	1.6
251.07018	1.8
253.08824	2.0
265.09262	31.4
267.10233	1.0
269.04489	1.5
277.09317	1.3
283.15594	1.3
285.03995	2.9
301.03094	1.1
315.07230	1.2
351.07019	1.7
357.09793	4.3
365.49164	1.0
376.48364	0.9
402.49399	0.9
411.12607	1.0
424.20364	0.9
447.09326	1.5
545.22681	1.3
561.19586	2.0
605.18707	16.5
606.18860	2.6
631.20782	3.6
793.25244	7.4
794.27966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00191	1.2
67.01752	1.7
73.02811	4.2
83.01259	0.5
93.03339	0.6
97.02839	2.6
98.19812	1.3
99.00717	0.4
99.04396	0.8
101.95155	0.4
111.00765	10.2
119.04916	50.5
120.05241	1.6
143.03400	12.2
154.99829	0.5
163.03915	100.0
164.04272	3.6
169.01334	16.9
170.01707	0.6
171.71089	0.4
187.02444	2.3
351.07220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.6189
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11323	0.2
69.66381	0.4
69.66817	0.5
75.24239	0.1
80.96387	0.2
98.20456	0.2
126.70301	0.1
153.19830	0.1
186.99347	0.1
221.86722	0.1
248.22128	0.2
255.67528	0.2
282.46799	0.2
457.36841	100.0
458.37180	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	792.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.7
59.01249	4.1
61.98710	0.7
65.39574	0.3
69.58605	2.4
71.01257	2.1
72.99178	0.3
73.02808	0.5
79.92798	0.3
83.01265	0.6
84.36698	0.3
85.02815	1.4
87.00738	0.6
87.04294	0.3
89.02306	1.3
92.04919	0.4
93.03332	1.0
95.01243	0.4
96.95895	0.6
101.02328	1.5
103.03896	1.2
108.02044	0.5
108.19547	0.4
111.00786	0.5
113.02322	1.2
116.04926	2.3
118.95423	0.3
119.04921	0.9
121.02851	0.6
121.90549	0.3
123.04394	0.5
125.02345	0.4
136.03796	0.4
137.02295	0.8
145.02875	0.9
149.02333	0.4
149.06041	0.4
151.00276	0.4
151.03937	0.6
152.01050	0.6
153.01863	0.4
159.03114	1.2
160.03943	100.0
161.04318	3.9
163.03889	0.8
165.05511	0.7
175.03860	0.5
184.37396	0.4
188.03465	0.7
190.05093	1.2
193.04942	0.5
204.02934	3.8
205.05035	0.7
218.04506	4.6
227.03482	0.4
228.03006	1.2
237.14983	0.5
246.04042	3.4
255.02844	0.5
263.09268	0.8
264.08844	0.9
265.09232	4.0
269.04346	0.4
274.07181	0.6
281.10217	0.4
285.04022	0.7
322.09341	4.0
366.08264	15.3
367.08615	0.8
382.88742	0.3
408.09308	1.7
410.67847	0.3
431.85013	0.4
544.20862	0.5
612.17169	2.0
630.18182	3.7
631.18292	0.6
792.23297	10.1
793.23682	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	786.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.2
59.01249	15.6
60.01555	0.2
61.98700	100.0
62.98400	0.2
63.99121	0.4
69.32912	0.4
69.33315	1.6
71.01250	1.7
72.99160	0.4
73.02826	0.6
80.97139	0.2
83.01273	0.3
83.04855	0.3
85.02834	0.8
87.00749	0.5
88.98691	0.2
89.02332	0.3
93.03348	0.2
96.95895	1.0
97.06474	0.2
99.00771	0.3
101.02332	1.4
109.06556	0.2
113.02338	0.7
121.02895	0.2
159.02890	0.2
161.04489	0.6
165.12967	0.2
171.10158	1.1
188.79526	0.2
193.12317	0.2
197.11839	0.2
201.11198	0.4
207.10164	0.4
209.11766	2.3
211.13387	0.3
221.11852	0.3
225.11317	0.8
225.14899	0.2
226.11726	0.5
227.12981	0.3
235.08394	0.2
253.09399	0.6
341.23291	1.3
397.98523	0.2
419.35385	0.4
491.30386	0.2
563.39587	0.3
581.41156	0.6
593.40625	0.3
619.42346	0.5
623.41565	3.7
624.42401	0.8
632.08447	0.2
635.41815	0.7
636.42712	0.2
637.42902	0.3
679.43512	1.4
680.44464	0.5
786.42499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.4
57.03313	4.3
58.00443	0.8
59.01250	97.7
60.01590	1.0
61.98699	4.7
69.03309	1.0
69.50957	5.2
71.01247	29.8
72.99196	1.8
73.02814	11.0
75.00738	1.1
80.96393	1.0
83.01237	4.3
83.04903	0.9
85.02821	24.3
87.00745	2.9
88.98703	0.7
89.02319	12.1
93.03334	3.0
95.01260	2.3
96.95886	2.7
97.02858	1.7
97.06455	1.1
99.00774	2.2
99.04350	0.6
100.88669	0.7
101.02321	22.5
103.03893	20.1
106.04122	1.1
107.01313	0.7
107.04906	1.7
108.02044	3.2
109.02853	2.2
109.06479	2.0
111.00761	1.6
111.04424	1.3
113.02323	11.3
113.03063	0.8
117.05516	0.7
119.03394	5.3
119.04077	0.7
119.04888	3.5
121.02840	62.3
121.06464	2.0
122.03198	2.6
123.00768	0.9
123.04406	2.0
123.08043	1.9
125.02381	1.5
131.03395	1.4
133.04938	2.0
134.03621	1.3
135.04411	33.8
135.08057	1.9
136.01564	0.8
136.04805	1.2
137.02336	2.5
137.09622	0.9
138.06853	1.0
143.03381	2.5
149.02321	2.4
149.04462	2.2
149.05864	0.9
150.03149	2.4
150.06784	1.3
151.00262	2.3
151.03906	1.3
152.01039	2.9
153.01834	2.8
153.09123	3.5
160.03931	1.3
161.04448	7.4
163.03912	4.9
164.04617	0.7
165.05460	3.0
166.02605	1.0
167.03397	1.9
175.03853	0.7
175.11096	0.8
179.03427	1.3
179.05501	1.8
180.49913	0.6
181.05025	1.4
186.35181	0.7
190.02565	1.6
191.03430	1.6
191.05418	0.7
193.05008	1.2
195.06593	2.4
203.05482	1.6
205.04991	1.7
215.14291	0.9
217.10738	8.1
223.00215	0.7
223.06110	1.8
240.48119	0.8
241.14427	1.5
243.13875	1.2
256.06171	1.1
265.09265	2.8
266.09735	0.8
268.03741	1.0
269.04529	7.0
269.11404	0.8
270.04837	2.0
271.05573	0.8
271.13297	1.3
285.04083	2.9
287.13007	0.9
289.14447	1.3
290.14648	0.7
295.10303	7.7
313.11395	3.8
313.16544	5.2
314.03738	1.0
331.17639	12.4
357.13239	0.7
369.11880	100.0
370.12170	8.9
373.18665	15.0
374.18738	1.1
405.18896	0.9
431.17090	3.5
449.18179	12.5
450.18378	1.3
491.19193	6.8
492.19559	1.1
495.22388	2.3
521.12933	1.4
531.08575	0.9
537.23077	1.1
539.23438	1.5
582.11676	0.8
583.23743	2.1
701.84302	0.7
719.25073	0.7
725.37585	1.5
727.28058	2.1
743.40601	5.2
787.30884	3.9
788.25842	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.7
55.45201	0.4
57.03321	3.5
58.00461	1.4
58.37283	0.4
59.01247	31.2
60.01578	0.5
61.98697	0.9
69.03324	0.5
69.35976	1.7
69.36405	2.1
71.01249	17.3
72.99172	1.8
73.02812	3.1
83.01248	2.1
85.02820	16.7
87.00749	2.1
89.02313	15.2
93.03319	2.0
95.01255	1.2
96.21365	0.5
96.95887	0.4
97.02811	0.6
98.20605	1.0
99.00748	0.8
99.04372	0.4
101.02312	11.3
101.95925	0.4
103.03887	32.0
104.04202	0.5
106.04120	2.7
107.01275	1.2
111.04362	0.4
113.02324	6.8
117.05422	0.4
119.03387	5.7
119.04837	2.3
121.02832	0.5
125.02341	1.2
125.11728	0.5
135.90144	0.4
137.02333	0.8
138.03081	0.8
143.03415	0.8
145.02832	0.9
145.04945	0.9
149.02333	1.8
149.04369	0.7
150.03105	1.4
151.00241	2.9
156.58540	0.4
159.08047	4.6
161.04420	1.0
165.01833	0.5
166.02621	0.4
175.00305	0.4
175.11133	0.9
179.05417	0.7
182.02206	1.1
203.07019	0.5
205.05042	0.7
223.06041	1.2
227.14284	1.6
229.15887	1.9
245.15343	2.7
265.09259	44.0
266.09549	2.0
268.03732	0.5
269.04498	1.8
271.06094	2.1
271.13367	1.8
273.15018	2.4
285.04041	0.5
289.14459	2.2
301.07120	0.5
313.14447	0.9
315.15979	1.4
331.15240	0.5
377.85291	0.5
389.19543	0.8
407.20688	2.4
433.18668	3.2
451.19650	6.2
452.19876	0.8
475.19812	5.8
476.19937	0.5
493.20801	10.7
494.21094	1.5
519.21338	0.5
524.04657	0.5
535.21869	7.0
536.22174	0.8
537.22894	0.4
565.23065	0.8
579.17145	0.8
595.23999	2.0
637.25171	0.5
681.27655	0.6
699.28827	1.5
741.29706	100.0
742.30054	17.4
785.27161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20995	1.1
57.03323	6.3
59.00953	1.8
59.01247	31.9
61.98697	2.8
65.88686	1.0
71.01253	23.0
72.99155	3.2
73.02797	4.7
75.00746	1.5
79.07318	1.1
83.01248	2.5
85.02820	25.1
86.67458	1.0
87.00737	2.9
89.02311	19.0
93.03358	6.2
95.01250	3.6
96.95893	3.2
98.20550	3.0
99.00770	1.5
99.04398	1.4
101.02304	14.2
102.72917	1.1
103.03888	43.0
106.04124	9.2
107.04912	3.5
108.02051	13.0
109.02835	8.2
111.00768	1.5
111.04428	1.1
113.02322	11.1
119.03338	6.5
119.04906	4.9
121.02807	2.4
123.00786	1.2
123.04382	1.7
123.08035	1.1
125.02319	1.5
136.12701	1.0
137.02313	1.6
138.03101	3.1
143.03360	1.7
149.02350	3.3
149.06009	1.2
150.03079	3.5
151.00270	1.8
151.03896	2.2
152.01062	13.2
153.01857	7.1
159.08047	4.0
160.03886	1.4
161.04388	1.3
163.03931	1.9
165.01707	1.1
166.02567	1.5
175.11168	4.2
177.01852	1.5
179.03082	1.3
179.05531	1.6
181.04773	1.1
182.02147	2.4
183.81372	1.1
190.02643	1.3
195.06482	1.6
203.07115	2.9
205.05154	1.4
207.02870	2.1
215.14413	3.6
223.06035	1.2
225.12770	3.4
227.14316	3.7
245.15419	5.9
265.09271	69.3
266.09598	2.9
268.03802	1.9
269.04593	6.0
271.13492	1.8
285.03967	2.1
287.13110	1.2
288.32941	1.3
289.14450	44.1
290.14673	3.8
295.94559	1.1
303.16116	2.0
315.07245	2.4
331.15445	32.7
332.15826	1.7
361.16525	2.7
391.17630	11.6
493.24597	1.4
519.21967	9.3
537.23370	100.0
538.23785	9.7
566.15839	1.3
600.98633	1.1
741.29706	71.8
742.29602	9.3
785.28412	14.3
786.29089	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	785.253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.7
58.00467	0.7
59.01249	24.9
61.98685	2.1
65.00189	0.5
68.99683	0.5
69.03316	0.7
71.01248	17.8
72.99162	1.0
73.02814	15.3
75.00719	1.3
78.95773	0.8
81.03323	0.7
83.01257	5.4
83.04861	0.9
85.02818	5.7
87.00740	2.1
89.02304	4.3
93.03333	4.5
95.01258	1.5
96.95872	2.0
97.02820	0.7
99.00728	1.6
99.04381	0.8
101.02317	12.3
103.03882	1.5
106.04118	8.6
107.01257	0.7
107.04932	3.6
108.02039	3.5
109.02825	1.6
113.02321	5.8
119.03384	1.5
119.04890	2.2
121.02821	1.7
123.04393	1.6
125.02278	1.8
131.03389	0.7
133.02864	0.7
134.03609	0.7
135.04434	0.5
137.02333	1.1
138.03108	4.3
143.03386	0.7
146.07306	0.6
147.08084	0.6
149.02310	1.9
149.05911	0.7
150.03085	2.2
151.00240	1.3
152.01045	3.3
153.01822	1.0
159.02928	0.5
159.08035	1.8
160.03929	1.2
161.04439	1.7
161.80405	0.5
162.03069	0.6
163.03874	1.1
164.04581	0.6
165.01855	0.9
165.05470	0.9
167.03404	0.7
175.00285	0.9
175.11189	3.2
176.00963	1.0
177.01836	0.8
181.04950	1.1
182.02138	2.4
190.02628	1.3
191.03336	1.0
203.07079	1.2
205.05017	2.1
215.14374	2.6
223.05908	1.2
225.12747	1.3
227.14375	6.9
229.15895	1.0
229.18027	0.9
245.15411	5.9
246.15784	0.7
246.61104	0.5
265.09268	1.0
268.03830	0.5
269.04529	2.8
271.06061	1.4
271.13309	4.4
273.14844	2.5
284.03003	0.8
285.04041	4.8
287.16473	0.7
289.14429	100.0
290.14792	9.4
303.16061	2.9
315.07297	0.7
331.15454	14.4
332.15781	1.1
361.16364	0.6
367.10516	0.9
373.16577	1.4
383.06363	0.6
387.99744	0.5
397.93240	0.5
407.20770	1.0
417.21155	1.3
433.18622	4.3
451.19708	3.5
493.20767	83.7
494.21118	11.0
535.22076	0.9
570.29150	0.5
623.14490	0.9
623.78802	0.5
643.24335	0.7
681.37061	0.9
767.43555	0.5
785.22131	3.9
786.21552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.8
57.03311	1.1
58.00466	0.9
59.01248	25.6
60.01585	0.3
61.98689	0.6
65.00198	0.4
69.03319	0.6
71.01252	13.8
72.99181	1.0
73.02813	10.5
75.00751	0.3
81.03323	0.4
82.68565	0.3
83.01254	3.4
84.85329	0.2
85.02811	4.4
87.00747	1.2
89.02308	6.0
93.03324	2.1
95.01244	1.1
97.02826	0.5
99.00736	0.8
101.02320	11.3
103.03902	1.9
106.04131	4.7
107.01271	1.0
107.04906	1.2
108.02064	0.3
109.02818	0.4
113.02319	4.2
119.03407	1.7
119.04910	2.0
121.02813	0.6
124.01530	0.7
125.02325	1.1
131.03374	0.3
131.37387	0.3
134.03587	0.4
138.03085	1.1
143.03375	0.5
143.04901	0.7
145.02850	0.6
146.07193	0.3
147.04420	0.3
149.02321	1.0
150.03101	1.0
151.00252	3.0
152.01044	0.5
159.08052	3.6
161.04506	0.4
161.09660	0.3
164.04640	0.6
175.00328	0.4
175.11131	0.6
177.01871	0.4
182.02129	1.7
190.02623	0.8
203.07077	1.1
205.04970	0.8
215.14368	0.9
223.06006	0.5
225.12807	0.7
227.14345	3.5
229.15958	3.2
229.18236	0.4
230.16203	0.3
245.15408	4.8
246.15851	0.4
254.12248	0.3
265.09235	2.6
269.04501	0.7
271.06052	1.5
271.13400	4.6
272.13690	0.4
273.14960	5.2
274.15250	0.5
289.14438	4.2
313.14420	0.7
315.16013	0.7
317.57828	0.3
331.15555	0.6
389.19641	1.3
407.20679	5.0
408.21005	0.5
415.17471	0.6
432.80585	0.3
433.12970	0.2
433.18637	5.5
449.21683	1.3
451.19714	12.7
452.20151	1.5
475.19711	8.6
476.19763	1.3
493.20761	100.0
494.21088	14.8
535.21777	6.2
535.29388	0.5
536.22321	0.8
565.23053	0.7
579.17023	0.6
598.12994	0.3
637.25232	1.2
645.03003	0.3
655.26410	0.6
697.27026	6.1
698.27374	1.2
741.29706	4.0
742.30328	0.9
785.21692	0.6
785.34613	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.0
58.00462	0.9
59.01251	25.2
61.98702	8.0
65.00182	1.0
69.03316	0.8
71.01249	15.9
71.52598	1.1
72.99183	1.5
73.02818	14.8
75.00735	0.7
81.03306	0.7
83.01254	4.0
83.04858	1.0
85.02813	4.1
86.92284	0.8
87.00741	1.2
88.98696	1.1
89.02309	2.4
93.03341	1.7
95.01260	1.5
96.95882	1.6
97.02809	1.4
101.02318	11.4
107.01250	1.6
108.02034	1.6
111.00791	0.9
113.02314	5.6
118.71988	0.7
119.04913	3.0
120.01171	0.7
121.02789	3.3
122.03629	17.2
124.01524	1.9
125.02361	1.4
135.04417	1.5
136.01552	7.9
138.03061	1.2
145.02878	1.0
147.04408	0.9
147.08000	1.5
147.46509	0.8
149.02339	1.1
150.03142	0.9
151.00287	4.7
152.00989	0.8
156.74858	0.9
157.06512	1.4
159.04420	1.3
161.04498	1.7
161.05977	1.7
162.06760	1.0
163.03920	1.2
164.04704	1.3
166.02669	1.0
175.07555	8.1
176.08092	1.1
177.09074	1.3
190.02560	0.9
193.88557	0.7
205.04941	2.1
219.06555	2.9
223.06073	1.0
225.11230	1.1
243.13858	2.4
245.15431	36.4
246.15787	3.9
259.17123	0.9
269.04428	1.0
271.06039	2.3
271.13568	0.8
273.14990	1.2
285.14966	2.2
287.16504	1.9
288.13644	0.8
289.14444	80.0
290.14798	8.1
291.96048	0.7
303.15970	1.8
315.07123	0.9
315.15945	1.0
331.15411	14.2
332.16205	0.8
373.16586	2.0
433.18475	3.2
451.19193	0.7
493.20776	100.0
494.21127	13.5
535.21838	1.9
579.16736	1.4
593.19434	0.9
697.27087	55.6
698.27380	10.1
741.39899	0.8
785.41827	2.4
786.22821	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.8
57.38509	0.3
59.01246	2.0
61.74146	0.3
61.98697	1.8
63.02264	3.1
65.00189	21.1
66.00542	0.3
67.46515	0.3
68.99702	0.5
70.07325	1.5
71.01252	1.3
73.02837	0.8
81.03332	0.5
82.22815	0.3
83.01250	9.4
85.02836	0.8
87.00743	0.5
89.02300	0.5
91.01790	0.6
93.03330	6.6
95.01264	0.6
96.95924	0.4
97.02843	0.4
101.02306	1.1
101.57545	0.3
103.03909	0.3
107.01263	28.6
108.01505	0.5
108.02137	0.7
108.99182	0.7
111.00739	0.4
113.02307	0.6
117.03349	3.5
119.01263	0.6
119.04908	41.2
120.05235	1.1
121.02828	4.1
125.02334	6.5
126.55780	0.3
126.86349	0.3
131.01242	0.6
133.02800	0.5
135.00697	0.3
135.04395	1.0
136.01508	0.7
137.02335	1.1
139.03920	0.9
143.04959	1.0
145.02844	13.0
146.03233	0.4
147.00751	0.8
147.04370	1.2
149.02341	19.1
149.99507	0.5
150.02995	1.2
151.00262	100.0
152.00584	2.8
152.70758	0.3
153.01860	0.4
160.03926	2.3
161.02301	0.4
161.04462	0.6
161.05971	1.2
163.00365	0.5
163.03911	1.0
164.01060	1.4
164.04695	13.2
165.01836	5.4
165.05356	0.7
166.02223	0.4
167.03386	0.7
169.01315	2.5
175.00259	7.0
175.03705	0.3
176.01036	2.0
177.01834	8.9
179.03424	0.8
179.07021	1.4
185.05945	1.6
187.03944	3.3
189.01767	0.4
190.02626	15.8
191.03419	3.3
193.01350	3.5
196.00037	0.6
199.07617	0.4
205.01329	1.2
205.04987	24.6
206.05304	1.1
208.03685	2.7
209.04439	1.0
217.01337	0.9
223.06050	14.0
224.06366	0.8
227.07068	2.9
229.04929	0.7
235.02480	1.6
242.05928	0.4
269.04434	2.2
270.05087	1.4
271.06091	60.2
272.06467	4.2
276.52768	0.4
279.04868	0.3
285.07681	2.4
287.09283	0.5
295.06046	0.9
313.07169	2.3
321.05853	0.4
331.08069	0.4
339.07159	0.5
357.07965	0.3
357.41675	0.4
373.09460	0.6
411.12878	1.5
441.10498	1.0
459.11353	3.8
460.11353	0.3
513.15973	0.4
548.81848	0.3
561.16071	10.5
562.16650	1.3
579.17102	41.4
580.17480	5.5
591.83459	0.4
593.18726	1.5
605.14868	0.4
621.17932	1.4
639.19165	4.3
640.18945	0.5
665.17365	7.3
666.17627	1.3
691.18634	0.4
785.22827	48.6
786.23193	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	785.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
57.01100	0.6
57.03342	1.8
58.00506	0.6
59.01247	9.2
61.98701	6.8
63.00264	0.6
63.02263	3.9
63.96928	0.6
64.66221	0.5
65.00192	22.1
67.10345	0.7
71.01274	7.9
73.02841	2.5
81.03341	1.4
83.01255	10.3
85.02815	4.3
87.00755	1.1
89.02319	1.9
91.01788	1.6
93.03329	9.2
95.01266	0.8
96.95881	1.1
97.02844	1.4
101.02306	4.2
103.03896	2.1
107.01264	29.6
108.02077	9.2
109.02850	4.8
113.02335	2.7
117.03327	4.5
119.01291	3.3
119.04908	43.9
120.05265	1.6
121.02856	4.9
123.04395	1.3
125.02324	8.3
126.70947	0.5
131.96796	0.6
133.02824	1.3
134.03627	1.3
135.00732	0.9
135.04391	1.3
136.01575	1.1
137.02332	2.5
143.03514	0.7
143.04868	1.2
145.02856	14.8
146.03192	1.6
147.00769	2.5
147.04433	1.8
148.01512	0.8
149.02339	19.8
149.63290	0.5
150.02939	2.0
151.00264	100.0
152.01073	9.6
153.01834	3.3
160.03954	0.7
161.02319	1.3
161.04460	1.3
161.05963	1.6
163.03896	2.5
164.01047	1.4
164.03426	1.1
164.04695	11.7
165.01862	5.5
165.05363	1.9
165.12650	0.7
166.02428	0.6
167.03387	2.5
169.01312	3.1
175.00278	18.2
175.03835	0.7
176.00989	5.4
177.01855	8.7
179.03354	1.0
179.07047	1.5
181.05026	0.9
185.05991	2.0
187.03874	2.8
190.02625	38.9
191.03319	7.3
193.01295	2.9
194.02113	0.9
195.99992	0.9
197.64272	0.6
205.04988	52.0
206.05298	2.9
208.03680	1.6
209.04410	2.1
210.04861	0.9
223.06056	12.0
224.06340	1.0
227.03540	0.7
227.07079	3.5
229.04976	1.8
235.02370	2.3
255.02859	0.7
265.09171	2.0
268.03815	6.2
269.01590	1.1
269.04440	16.5
270.04877	9.1
271.06119	59.1
272.06406	4.3
283.06100	2.1
284.03360	0.7
285.04044	1.3
285.07526	2.3
285.10779	0.6
289.14279	0.9
300.02737	0.6
301.06964	0.8
313.07053	1.6
329.08777	1.0
411.12711	1.4
433.11151	0.8
441.10196	0.9
447.08890	0.7
459.11154	2.4
560.14612	1.4
561.15985	12.3
562.15503	2.0
579.17145	33.1
580.17450	5.3
593.18402	1.2
621.17987	0.9
639.19446	4.0
665.17334	6.5
741.28809	4.0
742.30219	0.8
785.22095	51.4
786.22711	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	785.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02261	2.2
65.00189	18.0
68.62588	1.0
69.37389	7.5
83.01254	7.9
90.13971	0.8
93.03333	6.0
107.01270	27.1
109.02794	1.0
117.03332	3.2
119.04911	39.2
120.05244	1.8
121.02817	3.5
125.02319	6.9
126.80404	1.1
137.02280	1.1
145.02867	13.2
147.04443	1.1
149.02345	16.9
150.03009	1.4
151.00272	100.0
152.00607	2.8
163.03879	1.0
164.04704	13.1
165.01892	4.4
175.00255	7.7
176.00990	2.8
177.01872	6.8
179.07062	1.8
185.05898	2.0
187.03844	3.7
190.02646	15.0
191.03345	3.7
193.01329	3.7
205.05005	24.0
206.05348	1.6
208.03583	2.3
223.06055	13.2
227.07152	2.3
235.02449	2.2
269.04538	1.7
271.06110	60.9
272.06470	5.4
285.07657	1.5
313.07141	2.9
338.53738	0.9
358.96384	1.0
373.14474	0.9
380.64905	1.1
441.10477	1.1
459.11520	4.6
519.29218	0.9
561.16193	10.0
562.16266	1.8
579.17200	44.3
580.17212	6.8
593.18433	2.3
621.19696	1.2
639.19226	3.0
665.17426	6.9
785.22864	44.9
786.23151	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	785.2142
Annotation	Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
57.75811	0.5
59.01245	6.4
63.02251	0.9
69.52124	1.9
69.52557	2.1
71.01251	1.9
73.02814	0.9
85.02822	1.2
101.02315	0.7
107.01286	1.4
125.02357	0.6
131.76045	0.5
140.32256	0.6
143.43459	0.5
144.44548	0.6
148.01524	0.6
151.00281	4.8
157.41405	0.5
163.00348	0.7
199.03937	0.6
203.05470	0.9
227.03365	1.5
242.02156	6.0
243.02980	8.2
244.03613	1.0
245.00920	1.8
255.02878	3.5
256.03439	0.8
257.04462	1.5
265.09396	0.9
270.01663	9.9
271.02463	11.8
272.03238	3.0
285.04074	5.8
286.04602	1.6
287.05756	0.8
298.01117	3.1
299.01938	13.5
300.02719	29.0
301.03040	2.4
311.05704	1.0
313.03522	30.9
314.04276	27.5
315.05075	83.9
316.05453	5.8
357.06104	1.8
446.71530	0.6
461.07156	1.1
476.09698	2.9
477.10349	4.4
623.16125	100.0
624.16455	14.7
624.24603	0.4
665.17017	0.7
785.21118	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	785.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.7
61.98703	2.5
71.52570	0.2
73.02788	0.4
77.03861	0.5
91.01801	0.5
95.01284	0.4
96.95926	0.5
108.90051	0.3
114.72970	0.2
120.02051	0.5
121.02839	100.0
122.03167	3.5
136.01517	0.6
140.75314	0.3
141.57852	0.3
147.04437	0.2
162.73964	0.3
165.01852	2.5
180.05701	0.7
181.05103	0.4
181.06502	2.1
191.03452	2.3
197.06166	0.3
197.11771	1.1
209.04485	72.6
210.04826	3.6
225.05536	2.5
226.02171	0.3
249.26114	0.3
259.26193	0.3
291.19608	0.3
309.20810	0.4
313.07166	4.7
314.07410	0.6
357.06213	2.1
365.34052	0.3
401.08722	10.6
402.09091	1.4
549.10199	0.8
631.30389	0.3
741.13837	0.3
785.16913	1.2
785.39850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1932
Annotation	Kaempferol 3-(6''-(E)-feruloylglucosyl)-(1->2)-galactoside
Peak:m/z	Relative Intensity
55.01741	0.4
56.81495	0.4
57.03313	0.8
57.35086	0.4
59.01249	9.4
61.32943	0.5
61.90821	0.4
61.98694	1.1
63.02269	0.6
65.00184	1.1
65.03857	0.4
66.45364	0.4
69.22383	0.6
69.22784	3.9
71.01255	7.6
72.99160	0.8
73.02817	4.2
75.00725	0.6
76.01126	0.5
80.61190	0.4
83.01274	2.5
83.04893	0.5
84.61981	0.4
85.02817	3.9
87.00745	0.5
89.02313	2.5
93.03328	1.9
95.01252	0.5
97.02828	0.6
99.00734	0.7
101.02316	4.4
103.03896	0.6
105.01820	0.8
106.04045	3.8
107.01268	1.9
107.04897	0.6
108.02045	1.3
109.02842	0.7
111.00752	0.9
113.02322	2.7
115.00237	0.5
117.03326	0.7
119.03379	0.7
119.04893	1.4
121.02807	1.4
123.00816	0.7
123.04376	0.6
123.08014	0.9
125.02325	1.2
132.02026	1.2
133.02884	0.7
134.03596	1.3
135.04402	0.8
137.02335	1.2
138.03087	1.0
145.02806	1.0
149.02330	1.5
150.03162	1.2
151.00282	4.5
152.01042	0.8
154.04068	0.5
160.01576	4.5
161.02295	1.1
161.04422	1.0
161.09581	2.3
163.00275	0.5
163.03899	1.6
165.01808	0.7
167.03502	0.5
167.04843	0.5
169.01299	0.5
169.06384	0.6
171.04436	0.6
175.00238	0.9
175.03928	3.7
176.01024	0.7
177.01912	0.7
182.02104	1.5
183.04436	1.1
185.05984	0.9
187.03993	0.6
187.11176	1.8
190.02621	1.9
191.01906	0.5
191.03462	0.9
193.04921	0.6
195.13837	0.4
205.04976	1.8
205.08560	1.0
211.03902	1.3
214.02695	0.4
221.04582	0.4
223.06029	0.9
225.12856	0.5
227.03447	7.0
227.14366	0.7
228.03833	0.5
229.05022	0.6
241.05099	0.6
241.14409	1.1
243.02979	0.5
245.15395	0.8
245.77068	0.5
247.09972	0.5
255.02954	15.7
256.03491	1.9
257.04437	0.6
269.04459	0.9
271.05856	0.8
271.13394	0.6
283.02472	10.2
284.03247	12.2
285.04019	100.0
286.04425	6.3
289.14435	22.1
289.17706	0.5
290.14761	1.7
299.05576	4.3
299.08969	0.7
300.02719	1.6
300.05896	0.5
303.15964	0.5
314.56680	0.4
315.05008	4.7
323.07629	2.7
327.04962	0.9
331.15448	2.7
353.08734	0.8
367.10471	0.6
433.18521	1.2
447.09229	6.8
448.09769	0.9
449.27362	2.3
451.19647	0.9
472.65982	0.4
477.30627	0.6
493.20752	25.9
494.21289	2.3
623.14063	35.3
624.14093	5.5
697.27405	0.7
785.21326	3.8
785.36115	0.7
786.21375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.3
59.01249	26.8
59.29029	0.2
61.98701	100.0
64.08781	0.2
70.27016	0.8
71.01256	2.7
73.02811	0.7
75.78005	0.2
81.49510	0.3
83.01272	0.4
85.02824	1.6
85.06455	1.3
87.00771	0.3
88.00293	0.4
88.98675	0.6
89.02320	0.6
99.00762	0.7
101.02316	1.8
102.55341	0.2
103.30939	0.2
113.02337	1.7
139.04015	0.3
161.04446	1.3
207.10381	0.4
209.11757	0.3
281.15488	0.3
361.95386	0.2
375.28830	0.5
421.28409	0.2
519.32654	0.5
535.51874	0.3
538.21069	0.3
561.34454	0.4
617.40601	5.2
618.40662	1.2
635.41766	3.0
636.42108	0.8
677.42621	8.6
678.42810	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	783.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.5
57.03329	1.9
59.01248	100.0
60.01593	1.0
61.98698	10.9
62.00548	0.4
69.03318	0.7
69.24163	4.1
69.24583	1.1
71.01250	20.7
71.04905	0.5
72.99192	1.8
73.02823	6.0
74.02353	0.7
75.00738	1.1
83.01254	2.9
84.50974	0.5
85.02821	9.9
85.03292	0.7
87.00758	1.6
88.98698	1.3
89.02307	11.2
93.03327	1.1
95.01259	2.1
96.95898	2.0
97.02842	0.7
99.00745	2.0
101.02319	10.6
103.03896	1.1
107.01276	1.2
107.04960	0.6
108.02053	3.4
109.02840	1.7
113.02327	10.6
116.20070	0.5
119.03380	4.1
119.04895	2.9
119.92685	0.7
121.02855	2.1
123.04410	1.4
125.02296	0.7
129.01865	0.7
133.02811	0.7
137.02361	1.4
143.03371	1.5
145.04913	0.6
149.02318	2.1
149.06033	0.6
150.03142	1.0
150.06755	0.9
151.00287	1.9
151.03899	0.8
152.01056	3.9
153.01823	1.3
159.02910	1.2
161.04449	9.0
163.03897	1.5
164.04668	1.0
165.01901	0.6
165.05449	0.6
166.02617	0.7
167.03441	2.5
167.60696	0.7
171.10217	0.8
177.01828	0.8
179.05531	6.4
179.06978	0.8
190.02687	1.1
191.03432	0.8
205.05074	1.1
223.06062	0.8
265.09464	0.7
268.03799	1.5
269.04474	3.9
271.06104	1.2
285.07620	1.1
302.53729	0.5
315.07217	3.7
339.07193	2.4
383.06180	1.4
401.07196	0.8
425.55508	0.5
501.32141	4.1
502.32553	0.6
579.16882	1.1
619.38916	0.7
621.36115	1.8
639.38129	0.7
663.37445	71.2
664.37860	12.7
681.38489	12.8
682.38885	2.6
723.40033	6.3
724.41046	1.0
739.38934	2.1
741.44019	1.2
783.19623	0.9
783.43683	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	783.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.4
57.03326	0.9
59.01250	100.0
60.01597	0.9
60.38726	0.3
62.54136	0.4
63.02257	0.4
65.00196	1.2
68.72338	0.4
71.01253	9.6
72.99188	0.4
73.02811	2.7
83.01260	2.0
85.02818	5.0
87.00754	1.0
89.02322	4.8
93.03323	0.9
95.01270	0.6
99.00761	1.2
101.02328	7.2
104.03302	0.3
107.01249	1.8
111.00756	0.5
113.02322	4.7
119.03422	1.5
119.04911	3.2
120.46971	0.4
121.02830	0.4
125.02359	0.6
137.02316	0.4
143.03447	0.7
143.04922	0.5
145.02904	0.6
149.04439	0.5
151.00276	7.2
152.01015	0.5
161.04483	2.3
161.05725	0.4
164.01111	0.5
166.02625	1.2
175.02448	0.4
177.01929	0.8
179.05510	0.8
179.06960	0.4
181.05016	1.6
185.05971	0.4
191.01945	0.5
196.00089	0.6
227.07066	0.5
229.05014	1.7
265.09314	0.5
269.04666	0.8
270.05276	1.0
271.06134	8.2
272.06488	0.5
287.14957	2.7
305.16019	10.5
305.19324	0.6
306.16321	0.8
347.17090	13.6
348.17554	1.6
391.10452	0.6
415.10406	0.5
417.15558	2.2
418.16046	0.4
433.11615	0.7
475.12476	4.9
476.12598	0.5
579.17059	3.4
580.17975	1.0
621.18481	2.6
639.16357	0.5
720.01123	0.4
783.23907	1.5
784.27484	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.8
57.03095	0.4
57.03322	5.9
59.01247	29.3
61.98684	0.9
64.08097	0.5
71.01249	13.5
72.99165	1.3
73.02821	3.5
75.00714	0.6
83.01234	2.1
85.02819	18.5
86.03189	0.7
87.00760	2.7
89.02303	2.5
91.84516	0.5
93.03333	1.8
95.01273	1.1
97.02820	0.8
98.20589	0.9
99.00756	1.1
99.04366	0.7
101.02320	6.5
103.03882	29.0
106.04131	0.8
107.01279	0.5
107.04908	1.1
108.02036	0.7
111.00772	0.8
113.02335	3.5
119.03363	0.6
119.04899	2.2
120.80867	0.5
121.02802	0.9
124.01468	0.7
125.02291	1.6
137.02332	1.0
138.06673	0.8
140.25191	0.5
141.05397	0.5
149.02274	1.1
151.00159	0.7
153.09091	1.7
157.05002	0.9
157.06419	0.9
159.04352	0.7
159.08067	1.1
161.04401	0.9
163.03899	0.9
164.04631	0.8
175.00261	1.0
190.02641	3.3
191.03516	0.6
205.05051	2.5
211.13194	0.6
223.06004	1.1
225.12712	3.1
227.14403	1.1
229.27675	0.7
243.13840	2.1
247.08154	1.7
251.34698	0.5
255.12317	2.7
265.09122	1.0
268.03705	1.5
269.04532	3.6
269.11899	2.6
271.05969	0.7
271.13367	3.4
287.12900	2.7
301.14206	0.6
313.14325	1.2
367.10193	0.9
387.18073	0.7
405.19055	1.8
431.17053	8.6
432.17108	1.1
445.18439	1.2
449.18170	10.5
450.18469	1.1
463.19681	2.9
473.18240	3.6
491.19180	11.5
492.19391	1.7
505.20331	1.7
527.15668	0.5
533.20166	3.4
691.27612	0.7
697.26624	1.7
739.28021	100.0
740.28363	20.4
748.89355	0.6
783.21661	1.9
783.35028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	9.3
65.00181	4.4
68.99695	0.7
69.18855	6.9
69.19191	0.9
71.01246	5.2
72.99177	1.1
73.02811	1.6
74.69920	0.7
75.00745	1.4
78.95788	0.8
83.01252	2.2
84.40665	0.7
85.02818	4.5
89.02304	1.2
93.03316	2.7
95.01274	0.8
96.95868	0.9
98.20494	1.4
101.02332	2.1
103.03858	0.9
107.01266	6.1
108.02039	2.1
109.02851	1.9
111.00751	2.7
113.02316	1.5
119.03467	0.9
119.04910	8.1
121.02854	2.1
122.06066	0.7
123.00778	1.5
123.04430	1.3
125.02302	2.1
125.33307	0.6
133.02885	0.8
134.03609	1.4
135.04404	2.3
136.01567	1.2
137.02319	6.4
143.04929	1.4
145.02827	2.0
147.04433	0.7
149.02324	1.3
151.00269	35.0
151.03915	1.6
152.00975	2.8
152.04651	1.3
153.05447	0.8
160.03899	0.9
161.02315	1.0
161.04411	1.1
163.03885	1.3
164.01047	2.3
165.01839	2.9
165.05443	1.2
166.02618	42.7
167.03400	3.4
169.01268	0.8
173.04567	0.7
175.00233	0.8
175.03894	0.9
177.01871	3.7
177.05429	0.8
179.03381	3.1
181.04968	59.7
182.05241	3.3
182.33922	0.6
184.03680	0.7
185.05893	0.8
190.02541	0.8
190.06317	1.1
191.01785	1.1
191.03401	1.1
191.05528	0.8
192.04214	0.7
196.00052	3.0
205.05049	1.2
205.08636	1.3
206.05832	0.6
207.06561	1.0
227.07039	1.7
235.02455	1.1
241.04939	1.0
265.09229	1.8
269.04526	1.5
270.05179	2.0
271.06116	18.0
272.06448	1.8
283.10172	0.6
313.07172	1.2
316.96786	0.8
357.09286	1.0
359.11148	1.2
387.10776	8.8
388.11258	1.1
402.13168	6.8
417.15512	100.0
418.15842	11.1
433.11160	1.2
459.11401	1.8
475.12421	4.1
559.14240	0.8
561.20026	1.1
579.17102	25.3
580.17328	4.2
621.17877	8.6
622.19507	1.1
661.91345	0.7
783.22937	4.2
784.24915	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.3
58.00479	0.6
59.01249	30.5
61.98704	3.7
63.02265	0.5
69.03305	0.9
71.01250	12.7
72.99187	1.2
73.02808	5.8
75.00751	0.8
83.01239	2.9
83.04874	0.7
85.02821	7.8
87.00749	1.4
89.02322	4.9
93.03327	2.8
94.02830	0.8
95.01260	1.3
99.00752	1.4
101.02322	11.4
103.03883	1.6
106.04111	1.6
106.89613	0.5
107.01249	0.8
107.04897	0.9
108.02052	1.4
109.02846	1.1
111.00790	0.9
113.02332	5.4
113.05963	1.7
116.77020	0.5
117.03348	1.9
119.01269	0.7
119.03378	1.8
119.04937	2.6
121.02841	2.4
124.01521	0.8
125.02333	0.9
135.04401	0.8
137.02306	1.0
143.03435	0.7
143.04927	1.0
145.02826	0.5
148.01559	0.6
149.02338	6.0
150.03156	2.3
151.00267	1.6
151.03877	0.6
152.01030	1.7
153.01801	1.0
157.06499	0.6
159.08032	1.6
161.04439	0.9
163.03896	1.6
164.04686	3.8
165.01810	0.8
165.05450	1.1
167.03381	0.7
173.09602	1.3
175.00253	2.8
176.01015	2.7
179.06990	0.7
181.04898	0.9
182.02090	0.6
190.02628	6.9
191.01962	0.5
191.03413	3.1
191.05522	1.9
201.05513	0.7
205.05000	5.7
209.04515	1.2
215.28447	0.5
223.06102	2.5
225.05405	0.6
225.12813	4.9
227.14339	1.7
243.13797	3.1
265.09244	1.5
267.02808	0.7
268.03711	10.1
269.04535	42.1
269.11792	3.0
270.04910	3.3
271.06281	0.8
271.13373	4.7
283.06171	3.9
287.12854	5.0
315.07169	0.8
405.19308	2.6
431.10217	0.9
431.16968	7.3
445.18942	0.6
449.18115	17.9
450.18274	2.4
467.04117	0.6
473.18130	3.3
491.19199	100.0
492.19519	12.3
499.14481	1.5
513.16138	1.1
533.19873	2.5
559.14685	2.4
577.15619	0.6
707.29352	0.8
751.27917	1.0
783.20734	11.6
783.35114	1.6
784.22345	2.5
784.35352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.4
59.01250	7.1
61.85650	1.1
61.98688	1.0
67.36899	0.8
71.01250	8.1
71.52399	1.4
73.02813	2.8
79.01768	1.3
81.03321	1.5
83.01234	2.0
85.02831	7.8
89.02308	2.1
93.03325	1.5
95.01244	4.1
97.02773	1.5
99.00735	1.3
101.02335	5.6
107.01275	1.3
108.02048	87.3
109.02843	44.4
111.00715	1.1
113.02295	3.5
119.04892	3.0
120.89358	1.0
121.02840	5.3
123.00745	3.4
123.04379	2.0
125.02306	2.7
133.02850	1.8
135.00781	8.6
137.02301	1.5
149.02327	11.4
151.03851	3.8
152.01054	100.0
153.01845	30.2
159.04298	1.2
161.04445	2.2
163.03854	3.1
165.01819	3.1
166.02579	1.8
167.03416	9.0
175.03957	6.0
176.04451	1.4
190.02600	1.1
195.02911	11.9
201.01836	1.3
203.01598	1.8
203.03432	29.8
204.03871	1.6
221.04581	1.1
225.03935	1.4
241.14349	1.6
265.09143	1.4
268.03876	1.0
269.04413	1.6
297.06021	1.6
315.07208	54.7
316.07431	2.8
357.08218	14.7
417.10397	5.1
579.17383	1.1
595.24072	1.6
621.18231	38.0
622.18530	6.4
783.23364	58.2
784.23724	9.8
809.14703	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77837	0.5
59.01247	4.5
61.98706	0.9
63.02263	2.4
65.00203	1.7
71.01251	2.6
73.02822	0.7
83.01281	1.1
85.02824	1.6
89.02302	0.9
91.01777	1.0
93.03377	2.2
98.19855	1.0
101.02341	1.5
102.72906	0.4
103.03889	0.5
105.03349	0.6
107.01276	2.7
112.59497	0.4
113.02322	1.5
117.03336	5.0
119.01286	2.4
119.03403	0.4
119.04931	1.1
121.02844	4.9
121.06478	0.4
133.02852	0.6
133.06573	0.5
135.04413	1.1
137.02338	1.2
145.02832	0.9
147.00760	1.4
147.04396	0.6
148.01529	1.4
149.02339	20.2
150.03123	11.0
151.00275	2.3
152.00989	0.9
153.01790	1.1
159.04401	1.8
160.04015	1.0
161.02356	1.7
163.03949	1.2
164.04695	12.4
165.01933	0.5
165.05493	3.1
169.06500	0.6
171.04419	0.8
175.00281	9.1
176.01065	11.7
177.01660	0.9
179.07082	1.0
181.06461	0.8
183.04433	0.9
190.02631	17.5
191.03410	14.3
192.03761	0.6
193.01352	0.6
194.02142	3.2
197.06007	1.0
201.05504	0.8
205.04997	9.4
206.05415	0.6
208.03592	0.6
209.04472	9.9
210.04796	0.4
211.04021	0.9
212.04726	0.5
223.06055	4.9
225.05507	1.1
227.03508	0.9
229.17197	0.6
239.03439	1.0
240.04286	1.9
267.02896	0.7
268.03745	52.4
269.04514	100.0
270.04858	7.4
271.06232	0.7
283.06097	14.4
284.06369	0.8
293.04645	0.5
301.80600	0.4
311.05630	0.6
337.09366	1.6
397.11139	0.8
413.08655	0.8
431.09799	2.0
443.88248	0.4
499.14557	4.4
536.30841	0.4
559.14502	16.7
560.14777	1.6
577.15826	2.4
739.38409	2.4
783.21265	52.9
784.21869	12.3
791.87195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.7
63.02271	1.9
65.00189	1.3
69.40200	1.0
69.40635	0.9
70.08969	0.3
71.01229	0.4
73.02786	0.2
83.01256	0.8
85.02821	0.5
87.00776	0.6
91.01787	0.4
93.03349	0.8
105.03345	0.4
107.01283	1.9
117.03318	3.4
118.14642	0.2
119.01267	1.7
119.04935	0.2
121.02839	3.7
132.02013	0.3
133.02824	0.7
135.04439	1.1
137.02306	0.3
147.00813	1.4
147.04428	0.6
148.01527	1.1
149.02341	17.9
149.99506	0.2
150.03137	9.2
151.00290	1.7
151.03638	0.2
152.01028	0.4
153.01817	0.9
158.03644	0.2
159.04422	1.6
161.02339	1.2
162.03134	0.4
163.03900	0.8
164.04694	10.9
165.01801	0.5
165.05487	2.5
166.61456	0.2
171.04398	0.6
174.98776	0.5
175.00278	7.6
176.01074	8.3
177.01622	0.5
179.07050	1.0
180.05746	0.3
181.06479	0.6
183.04430	0.8
189.01801	0.3
190.02634	16.9
190.86398	0.2
191.03409	13.2
192.03867	0.7
193.01335	0.7
194.02141	2.2
195.02773	0.3
196.62782	0.2
197.06036	0.8
200.04671	0.3
201.05467	1.0
205.04997	8.9
206.05423	0.7
208.03731	0.9
209.04495	8.5
211.03908	0.9
212.04643	0.4
223.06062	4.7
225.05571	1.1
227.03453	0.7
239.03482	1.7
240.04303	1.7
241.04855	0.3
265.27585	0.2
267.02985	0.7
268.03748	47.0
269.04523	100.0
270.04868	7.4
282.05490	0.3
283.06100	12.3
284.06454	0.8
293.04492	0.5
311.05679	0.3
315.51068	0.3
336.07437	0.2
337.09293	0.8
388.52509	0.3
397.11398	0.6
411.12610	0.3
413.08719	0.7
431.09842	1.5
499.14603	3.1
500.14471	0.3
559.14563	11.7
560.14917	1.6
577.15442	1.6
768.19598	0.3
783.21350	54.2
784.21661	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	782.5178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	0.5
61.98685	0.6
66.03337	0.7
70.02825	0.4
70.39674	1.7
71.02354	0.7
80.04912	0.7
82.06480	2.6
83.91401	0.5
87.05098	0.5
87.05569	5.6
94.06514	1.0
97.03929	1.0
97.06442	0.5
98.02364	0.7
110.03498	0.8
111.01826	0.6
112.07574	2.1
113.03439	0.9
114.09116	0.4
116.04928	1.0
118.06513	1.2
121.03922	2.3
127.08608	0.6
129.10225	21.3
130.08627	3.0
131.04892	0.9
138.07813	0.5
139.08687	4.7
140.07053	3.1
140.09048	0.5
146.06026	2.4
147.04378	0.5
151.08644	0.7
153.10196	1.9
155.08174	4.9
155.11778	1.7
164.09464	4.4
165.10245	5.0
167.08134	1.0
167.10449	0.5
174.05505	0.7
180.11235	0.8
182.12860	3.1
182.15379	0.7
183.11328	2.9
195.14922	1.9
197.16533	4.3
197.74332	0.6
199.17978	0.8
200.13950	5.9
207.14952	16.7
208.13377	1.0
208.15233	1.0
214.12299	0.8
223.11989	0.5
224.17610	8.3
225.16032	3.9
231.14926	0.5
241.13385	3.7
242.11871	2.5
242.18680	14.5
243.18878	0.8
252.20712	0.8
259.14520	4.5
260.15295	0.4
268.16574	0.9
268.20218	0.8
269.16653	1.0
270.21573	0.4
276.17099	1.2
294.25415	0.7
295.21393	7.8
310.24872	0.8
312.17111	2.9
313.22391	2.8
329.19815	1.5
330.18164	1.8
334.27795	0.4
337.26083	9.9
338.26523	0.7
347.20844	1.5
355.27124	3.0
371.24237	0.7
386.73239	0.4
389.25400	0.9
419.38062	0.5
426.30930	0.7
443.26596	1.0
522.36816	0.8
539.39294	4.0
540.39307	0.5
556.34991	1.0
571.07172	0.6
573.37512	5.0
615.41840	2.1
782.51807	100.0
783.52087	22.6
783.66901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.6
61.98693	13.9
71.01283	1.4
71.02367	5.7
73.03927	3.7
75.00735	1.9
83.02383	1.7
83.20934	1.2
85.03912	1.3
87.05500	3.8
96.95860	1.4
97.00285	1.3
98.01092	1.8
99.01873	3.6
103.00226	2.6
104.03434	1.4
105.01798	4.9
110.03471	4.0
111.01863	2.6
112.32127	1.2
115.08670	2.4
116.04997	1.9
118.06530	2.1
128.04529	2.9
129.10216	8.4
138.34547	1.2
139.08649	2.9
141.06610	2.2
146.06030	13.8
151.08589	3.1
153.09070	1.7
155.08115	2.4
156.96272	1.4
158.06007	5.0
160.07576	2.3
163.08594	2.4
166.09775	2.0
174.05510	1.6
178.11070	1.6
183.14876	2.0
185.07088	4.8
186.05476	3.1
186.12338	2.0
193.13377	11.9
200.07068	2.2
201.06586	1.7
203.08186	17.8
210.16017	5.6
211.19891	1.2
217.09781	6.6
220.10890	2.2
224.76195	1.3
228.17149	9.9
234.12454	2.3
241.13481	3.3
244.07254	1.4
259.09610	2.6
275.11859	1.6
281.19916	7.9
283.59378	1.4
298.15555	2.9
299.20905	3.0
315.18115	1.5
349.16132	1.5
417.24768	1.3
486.26044	1.4
503.29764	3.1
537.28296	4.9
579.32404	1.6
585.28131	1.6
593.34583	3.1
627.32849	3.5
780.40869	100.0
781.41040	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03291	0.4
59.01250	3.2
59.85979	0.3
61.98709	1.6
69.23515	3.1
71.01238	1.0
71.04889	2.6
73.02795	0.3
75.00742	0.4
80.02518	0.6
81.03321	1.1
82.12714	0.3
83.04898	0.9
85.02839	0.6
93.03317	0.5
95.04900	1.5
96.95910	0.4
97.06455	0.4
98.03587	1.0
101.02286	0.4
106.04102	0.9
107.04932	0.3
109.02818	0.6
109.06470	9.4
111.04396	3.7
111.08031	0.7
113.02316	0.4
121.06457	0.4
123.08046	1.3
127.07530	2.0
135.08047	0.5
137.05959	0.5
137.09601	0.5
143.10660	1.1
145.06514	1.6
149.05995	0.4
149.09618	0.7
151.11150	0.6
163.11140	0.5
167.10672	2.3
174.88737	0.3
177.12723	0.4
179.10725	0.8
181.12236	0.4
191.14307	0.5
195.13849	2.1
195.15289	0.3
215.14378	0.7
222.99579	0.3
235.13396	1.0
243.17346	0.5
245.19093	4.3
246.19489	0.5
249.14932	0.5
251.16492	1.0
271.17108	1.4
273.15027	0.4
287.16479	2.1
289.18079	100.0
290.18430	8.1
307.19119	18.2
308.19470	1.4
369.77365	0.3
471.20291	0.9
595.29810	0.4
661.40002	0.4
683.50000	0.4
717.23694	0.3
779.42511	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	777.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	33.2
67.56728	4.5
68.75350	5.0
71.01217	8.3
71.51849	8.6
78.95744	6.5
83.40657	5.2
100.29324	5.5
103.19173	5.7
201.11269	45.9
209.11780	82.7
227.12767	19.0
235.08195	15.7
253.09280	10.3
277.21692	100.0
282.62955	6.0
437.20450	10.7
445.20663	7.6
493.11310	5.9
513.30353	9.0
521.36523	6.0
690.15002	6.9
777.42163	24.7
778.42401	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	775.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
71.14917	0.5
74.55711	0.2
103.06050	0.2
117.79272	0.2
131.37355	0.2
135.32472	0.2
439.29913	0.3
641.25873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.7
59.00956	0.7
59.01248	12.2
64.86338	0.4
71.01255	1.6
71.52863	0.5
73.02821	0.6
83.04885	4.7
83.91969	0.3
85.02823	1.0
87.00764	0.4
89.02280	0.4
90.65097	0.3
93.03364	0.6
96.95881	1.1
97.06462	3.4
101.02316	0.9
103.03893	0.7
106.04092	0.4
108.02069	0.4
108.38704	0.4
109.02859	0.4
113.02345	0.5
119.04893	0.7
121.02863	0.6
123.08031	0.7
128.92934	0.3
137.02335	0.8
137.09608	1.5
139.11171	0.5
149.02225	0.4
149.09610	1.1
151.11172	0.6
152.01045	0.6
160.03923	1.4
162.54047	0.3
163.11182	5.9
165.12785	0.5
167.14281	0.6
177.12724	0.7
179.14310	3.9
195.13832	16.7
196.14215	0.7
197.15375	0.7
223.05971	0.4
223.13335	16.3
224.13707	1.1
241.14407	100.0
242.14757	7.4
256.02509	1.0
265.09387	0.7
269.04526	0.7
271.04868	2.5
283.15491	52.9
284.15866	4.6
285.03802	0.5
286.07211	3.1
339.07733	0.5
362.65494	0.4
399.73892	0.4
466.58862	0.4
716.23694	0.4
759.74829	0.4
775.29565	0.4
776.28510	1.2
777.27570	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	7.8
58.00472	1.3
59.00952	2.5
59.01245	35.3
64.89820	1.1
71.01251	70.8
71.52687	1.8
72.99190	3.4
73.02815	2.8
75.00746	1.7
77.69685	1.3
83.01241	1.5
85.02817	27.4
87.00748	2.3
87.04408	1.6
89.02309	22.9
89.02824	1.3
93.03362	3.0
95.01273	2.7
101.02308	18.4
103.00273	1.7
103.03883	61.9
104.04218	1.5
108.02065	2.8
109.02836	1.3
111.00756	2.3
113.02329	11.3
119.03371	9.7
119.04890	2.7
121.02852	1.4
124.00613	3.0
125.02372	1.6
137.02383	1.9
143.03421	3.2
145.04985	2.0
148.03870	1.3
149.02376	1.6
149.04436	1.3
150.03142	1.6
151.00354	1.4
151.03926	1.7
151.07520	3.1
152.01064	1.8
153.01836	1.5
157.04976	13.0
160.03952	6.1
161.02412	1.1
161.04474	5.5
163.03967	2.2
165.05428	1.5
179.05557	7.8
181.05075	1.6
187.38373	1.2
191.03415	1.4
195.06583	1.5
205.04977	2.7
205.08662	13.7
221.11775	3.6
229.08742	1.3
237.14919	1.6
247.08194	18.1
247.10004	11.2
265.09256	100.0
266.05161	1.2
266.09677	4.0
349.16946	2.5
367.17685	3.8
394.83328	1.2
475.73489	1.1
550.20081	1.3
589.19769	1.6
613.08246	1.2
615.26642	17.9
767.13776	1.5
777.32031	59.4
778.32623	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	775.3028
Annotation	Patellamide D
Peak:m/z	Relative Intensity
57.03316	11.2
59.01246	58.9
61.98379	2.5
61.98699	42.4
65.40278	1.2
69.58127	9.3
71.01249	35.8
72.99169	4.1
73.02813	10.0
75.00729	1.4
77.18044	1.2
83.01247	7.0
83.04883	3.4
83.44064	1.2
85.02351	2.4
85.02820	32.0
87.00737	5.1
89.02316	10.7
93.03328	5.8
95.01242	2.1
95.04919	1.7
95.84256	1.3
96.95875	4.1
99.00745	2.8
99.04417	2.5
101.02314	20.0
103.03881	38.9
106.04102	1.9
107.01249	1.3
107.04907	1.9
108.02032	3.0
109.02813	2.7
111.00745	3.9
111.04385	1.3
113.01769	1.2
113.02331	13.3
115.03907	7.8
117.03379	1.3
117.05445	1.6
119.03369	4.8
119.04903	6.8
121.02842	3.1
123.00674	1.3
125.02296	3.4
135.04335	3.1
135.08022	1.8
136.01555	1.4
137.02309	4.7
137.05893	1.5
145.04906	1.9
146.02367	1.7
150.03069	1.6
151.00266	3.1
151.03899	1.6
152.01033	3.5
153.01820	2.1
161.04396	5.7
161.05742	1.6
161.09624	1.9
163.03923	3.7
163.11159	4.2
164.03386	1.4
164.04683	1.7
165.05446	2.1
175.03853	1.9
177.05315	1.7
179.00070	3.7
179.03459	1.3
179.05412	1.8
179.10748	1.5
180.04196	1.6
180.07887	1.3
181.04942	1.6
187.11156	5.3
189.09099	3.6
193.05017	1.8
195.06532	2.4
203.10629	2.0
205.04919	1.5
205.12181	4.3
207.10150	4.8
211.07587	1.4
215.06956	1.4
223.13254	2.1
229.12312	1.5
231.06339	1.4
233.10182	2.9
241.14246	2.4
247.08174	2.0
249.11191	1.7
255.02747	1.9
265.09250	39.5
269.04630	10.7
271.06140	2.8
277.09161	1.2
285.04095	2.3
307.10486	1.9
313.06900	1.4
391.74911	1.3
417.15692	1.3
453.21024	2.5
455.19293	9.6
456.19205	1.7
497.20062	5.1
498.03140	1.4
515.20978	2.2
527.20941	4.8
577.15417	1.5
624.31030	3.0
731.40778	2.5
757.29431	7.8
758.29907	1.7
775.30188	100.0
776.30536	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3024
Annotation	Patellamide D
Peak:m/z	Relative Intensity
55.01752	1.7
57.03320	9.1
59.01247	46.3
61.98692	2.1
71.01250	27.4
71.04913	1.8
72.18778	0.7
72.99172	2.2
73.02813	7.0
79.95627	0.8
80.96404	4.3
83.01249	4.5
83.04894	1.0
85.02820	26.0
87.00761	2.6
89.02320	9.3
93.03339	2.0
94.97963	1.2
95.01279	2.2
95.04868	1.0
96.95930	1.6
97.02825	1.0
98.20565	1.8
99.00778	2.5
99.04401	1.2
101.02316	16.6
101.02928	1.3
103.03883	34.4
107.04914	2.0
108.02056	6.5
109.02857	3.2
109.06471	1.0
111.00784	1.3
113.02316	11.3
115.03893	6.7
117.05459	0.8
119.03387	5.3
119.04882	10.7
119.05608	0.8
120.05238	0.8
121.02851	3.5
122.03542	0.8
123.04498	1.3
125.02339	2.1
125.06017	0.8
130.30392	0.7
134.03639	1.6
135.04451	0.8
137.02364	2.6
145.05003	1.4
147.08081	1.0
149.02403	1.9
149.06026	1.0
150.03125	1.8
151.00288	2.3
151.03922	1.6
152.01044	7.1
153.01848	3.2
159.02928	1.0
160.01587	0.8
160.03954	1.8
160.83388	0.8
161.04443	4.1
161.09665	1.7
161.13316	1.0
163.03915	6.1
163.11223	3.1
164.04688	0.9
165.05469	1.9
175.03882	1.6
177.01851	1.4
178.02635	2.7
179.03479	0.9
179.05597	0.8
181.04947	0.9
187.11119	3.5
189.09184	2.8
190.02650	1.3
191.03432	1.1
193.05020	4.1
205.05013	1.5
205.12317	2.3
207.10231	4.3
213.09200	0.7
223.13293	1.4
233.10324	2.3
245.08145	0.9
247.08299	0.9
263.09323	1.0
265.09268	35.4
266.09656	2.0
269.04614	2.3
274.11490	0.8
277.09192	2.3
285.04291	1.3
285.07712	2.0
315.07303	1.6
455.19308	5.1
497.20459	1.8
509.20032	1.0
515.21912	1.1
525.19904	2.5
527.21558	2.8
555.20850	1.2
565.27051	1.1
587.21411	5.6
689.24487	1.0
731.31152	1.3
739.25092	3.2
757.29071	2.6
775.30542	100.0
776.30957	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	773.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.7
59.01241	10.5
61.98692	4.5
66.00078	0.6
69.47142	0.7
69.92333	0.6
71.01257	6.2
71.52836	0.9
73.02819	2.2
75.00729	0.6
80.96383	1.0
83.01254	1.9
83.04883	0.6
85.02823	5.1
87.00711	1.2
87.04351	1.1
89.02306	1.9
93.03323	1.0
95.01258	0.7
98.46851	0.6
99.04359	0.7
101.02316	4.0
102.31718	0.8
103.03868	1.1
104.38050	0.7
107.04933	1.0
108.02041	2.0
109.02832	1.3
111.00735	0.8
113.02306	3.1
119.03398	1.1
119.04910	2.6
121.02856	1.6
121.57410	0.7
123.04372	1.2
123.08064	1.2
125.02327	0.9
134.03607	1.0
135.04391	1.0
135.08058	1.1
136.05151	1.3
137.02303	2.2
137.05986	1.0
137.09612	0.7
145.02811	0.7
149.02345	1.5
149.05991	4.6
150.03145	1.5
150.06760	32.6
151.00308	1.4
151.07240	1.3
152.01007	1.6
153.01842	1.2
155.10698	1.3
161.04468	1.1
162.06784	1.3
163.03880	2.1
163.07547	10.3
164.08354	7.4
167.03349	1.2
176.08234	0.8
177.09108	1.4
178.09865	2.1
179.10693	18.6
180.10986	1.6
189.09369	0.6
190.02661	0.9
191.07127	0.7
193.04987	1.7
195.06549	1.2
211.68550	0.6
223.06108	1.3
225.07607	0.9
239.12967	0.9
265.09381	1.2
268.03723	1.0
269.04477	1.5
271.06024	0.6
280.86533	0.7
283.06116	1.8
343.24991	2.3
345.22830	4.9
461.32681	1.1
464.31451	5.2
478.32730	2.1
479.33591	6.0
480.34116	1.0
506.32498	2.8
507.32950	2.0
518.36102	0.7
524.33887	3.5
525.34241	18.6
526.34399	3.3
687.40112	2.0
721.69446	1.0
729.40601	100.0
730.28107	1.1
730.40979	22.3
773.29639	3.3
774.29297	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16454	0.1
59.01246	0.3
59.34016	0.1
61.98698	100.0
62.98402	0.2
70.36308	0.1
71.01257	0.1
73.03938	0.1
85.02796	0.1
89.02354	0.1
95.02354	0.1
99.01864	0.1
105.16566	0.1
112.05058	0.1
113.02322	0.1
129.45717	0.1
130.06137	0.1
136.26717	0.1
146.06067	0.2
209.10432	0.2
209.12851	0.2
229.62131	0.1
548.87054	0.1
680.37665	1.8
681.37775	0.4
697.60150	0.1
698.29742	0.1
710.38721	1.3
710.50458	0.1
711.39355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.7
59.01246	7.5
61.98684	4.2
69.03293	0.7
71.01249	4.8
73.02810	2.4
78.07307	0.6
83.01219	0.7
85.02850	2.8
87.00745	1.7
88.09895	0.5
89.02297	1.4
93.03316	1.1
96.95872	0.6
97.06477	1.0
98.20509	1.4
99.04389	1.4
99.17466	0.5
101.02299	2.6
103.03876	0.9
108.02043	1.6
109.02835	0.7
111.04398	1.2
113.02319	1.9
113.05888	0.6
119.03374	0.8
119.04890	1.7
119.54342	0.6
121.02865	0.9
123.04359	1.1
123.08035	2.7
135.04391	0.8
135.08038	0.8
136.05141	0.6
137.02327	1.1
141.08997	0.6
147.04402	0.7
149.05949	2.3
150.06764	36.5
151.00218	0.8
151.07166	1.0
152.01019	1.4
153.01805	0.9
157.08553	1.6
161.09540	0.7
162.06792	1.5
163.07547	8.7
164.08321	7.0
165.08989	0.7
176.08287	0.8
177.09090	0.7
178.09833	1.9
179.10690	18.5
180.11028	1.2
187.09683	0.7
193.08626	0.8
205.04950	1.2
209.11745	0.7
211.07437	0.9
223.06099	0.9
229.10696	2.2
229.39095	0.7
237.09164	0.9
265.09000	1.2
269.04407	0.9
271.06036	1.4
320.19962	1.4
335.22125	1.2
341.23291	2.2
343.21173	4.0
364.22577	2.2
441.30170	1.1
459.31192	1.1
462.29813	2.1
476.31281	2.2
477.32175	4.5
504.30994	2.5
505.31644	2.0
522.32037	4.3
523.32715	19.2
524.33008	2.5
685.38562	1.3
727.39105	100.0
728.39502	21.0
771.31213	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	773.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81792	0.2
59.01235	0.2
61.98701	1.7
69.18298	2.0
69.83752	0.2
70.35576	0.2
71.01232	0.3
75.08186	0.2
78.95767	5.0
79.95601	2.9
94.47564	0.2
94.97966	0.4
96.95884	100.0
96.96781	7.2
97.02796	0.2
97.95827	0.5
98.02361	1.3
99.00802	0.2
118.96534	0.2
164.99492	0.2
204.83765	0.2
265.48334	0.2
266.64987	0.2
277.21936	0.3
299.85767	0.2
338.31097	0.2
397.13626	0.4
407.17233	0.3
435.08121	0.5
453.09009	0.9
514.29291	0.2
686.59698	0.2
713.30640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.5
59.00951	0.7
59.01247	9.4
61.98690	2.3
70.06444	1.6
70.06857	0.8
71.01250	2.3
73.02799	0.9
78.80170	0.5
83.01270	0.6
85.02820	1.7
87.00747	1.4
89.02321	1.4
91.08296	0.6
91.33789	0.5
93.03332	1.0
95.04931	0.5
97.06473	1.1
99.04366	1.1
101.02302	1.3
107.01249	0.8
111.04345	0.6
111.08006	0.9
113.02322	1.4
113.09626	0.7
119.04845	0.9
123.08047	1.9
125.02354	1.0
137.02332	0.9
137.05978	1.0
137.09576	1.0
139.92345	0.5
145.02815	0.6
149.05994	2.3
150.06767	45.4
151.00294	2.7
151.07092	2.9
152.08276	0.6
155.12790	0.6
157.08591	0.8
161.04454	0.9
161.09615	1.0
162.06796	1.1
163.07545	8.4
164.08344	8.1
165.08749	0.6
171.10149	0.6
176.01027	1.3
176.08328	0.7
177.09154	0.9
178.09897	2.5
179.05624	0.6
179.10698	23.6
180.10989	1.2
187.09601	0.6
191.03429	1.7
201.01901	2.9
205.04991	0.6
215.42877	0.5
215.68884	0.6
229.10785	1.5
261.18530	0.6
269.04498	0.8
271.06003	1.7
306.18240	0.6
320.19904	1.4
321.20618	1.1
335.22299	1.6
341.23260	1.5
343.21231	5.2
344.21753	0.6
364.22604	2.8
375.27368	0.6
441.29974	0.8
459.31131	1.1
462.29932	3.3
463.30371	0.7
476.31351	1.2
477.32156	6.1
478.32532	1.3
504.30826	2.0
505.31482	2.4
506.31680	0.9
522.31964	2.3
523.32721	23.3
524.32990	3.6
567.80304	0.6
579.17285	1.7
619.30847	2.3
651.33990	0.7
685.37811	2.0
727.39069	100.0
728.39471	20.6
771.21185	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.1
58.00467	0.6
59.00954	0.7
59.01245	9.1
68.99683	0.3
71.01250	6.0
72.99197	0.5
73.02824	2.0
75.00711	0.3
83.01255	0.9
85.02822	6.1
87.00301	0.4
87.00761	1.4
87.04385	0.3
89.02316	3.2
93.03333	18.2
94.03668	0.5
95.01276	0.4
97.89717	0.3
99.00780	0.4
99.04423	0.4
101.02316	4.5
103.03886	13.8
104.04227	0.4
107.04939	0.6
108.02038	0.7
113.02322	2.8
114.70855	0.3
117.05415	0.3
119.03404	1.9
119.04897	0.7
121.02800	0.6
123.04411	0.4
123.48048	0.3
125.02283	0.5
135.04405	0.9
136.01564	5.6
137.02338	48.1
138.02621	1.9
138.05519	4.0
145.04991	0.6
145.81488	0.3
149.02379	1.1
151.00244	0.4
151.03900	2.3
161.04504	0.3
163.03894	0.4
165.05440	0.4
179.03416	22.2
180.03732	1.1
191.03595	0.3
209.04492	3.5
229.75337	0.4
239.05571	14.9
240.06024	0.8
247.08289	0.6
250.44614	0.3
265.09274	31.5
266.09622	1.3
271.09601	0.4
281.06595	2.2
299.07953	0.5
327.08591	0.9
341.12411	2.1
385.11374	100.0
386.11758	6.8
523.21674	0.8
523.95648	0.3
631.00519	0.4
716.31696	0.3
771.20483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	5.1
59.01249	22.9
59.91925	1.3
61.98700	8.0
63.02238	3.6
65.00193	18.1
69.18843	11.2
71.01250	14.5
72.40179	1.2
72.99188	1.0
73.02803	4.9
79.73422	1.4
80.96363	1.7
83.00897	0.9
83.01254	10.4
83.04908	1.2
85.02813	7.5
87.00728	3.6
89.02319	5.9
93.03336	11.0
95.01204	1.3
96.95852	1.9
97.02794	1.7
97.06478	1.3
99.00739	2.9
101.02321	9.4
103.03864	2.1
107.01270	26.5
107.04875	3.6
108.02065	2.1
111.00732	2.6
113.02322	6.8
114.02644	1.1
117.03349	7.9
119.03384	1.7
119.04913	44.8
120.05222	2.0
121.02805	3.9
123.04351	1.8
125.02332	24.8
133.02779	2.2
134.03551	1.5
135.04396	1.6
137.02277	4.3
137.05962	1.3
139.03896	1.2
143.04893	1.1
145.02843	17.0
147.04381	1.2
148.01555	5.0
148.02487	1.0
149.02377	6.9
150.03131	32.8
150.06628	1.5
150.21349	1.0
151.00272	100.0
151.03781	2.7
152.00652	3.5
153.01744	4.0
159.04297	1.2
160.01468	1.3
160.03899	2.0
161.02316	1.4
161.04407	3.5
161.05849	1.6
163.03902	2.4
165.01826	6.6
165.05504	5.6
167.03406	1.9
169.01266	3.3
170.01614	1.1
175.00201	4.5
175.03877	2.2
176.01065	59.6
177.01855	11.5
178.02574	1.4
185.05995	2.6
187.03847	4.0
190.02528	3.3
191.03421	71.3
192.03706	3.6
193.01237	2.0
193.04924	2.6
194.02090	7.1
200.82991	1.0
205.04884	3.9
209.04492	17.1
210.04727	1.3
223.05995	1.9
227.03384	2.0
227.07076	2.3
235.02429	2.0
241.14336	1.1
255.02957	5.1
256.03287	1.4
265.09195	2.5
268.03738	1.4
269.04553	36.6
270.04724	3.6
271.02725	3.2
271.06104	60.3
272.06384	6.1
279.10846	1.4
283.02350	3.4
284.03052	2.0
285.04095	9.3
295.05975	1.1
296.10995	1.3
297.11734	4.6
299.01859	3.8
300.02417	3.0
301.03265	3.7
324.68674	1.1
330.66068	1.1
337.09125	2.5
339.07452	1.1
340.13065	1.1
367.10339	1.2
399.08871	1.4
447.08990	4.3
449.17929	4.6
449.26822	1.6
457.20560	1.2
459.11298	4.5
489.10065	3.0
491.19067	1.8
499.14224	4.3
577.15112	1.4
578.15527	1.2
579.17157	59.0
580.17438	9.7
625.17847	11.5
651.15826	2.5
667.38953	2.4
677.17542	5.8
685.39587	2.1
727.39771	2.5
771.20911	76.1
772.21051	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1986
Annotation	Hypolaetin 8-glucoside-3'-rutinoside
Peak:m/z	Relative Intensity
57.03338	0.6
59.01246	4.3
63.02270	0.7
65.00210	1.1
68.89592	0.5
71.01289	1.1
73.02833	0.5
83.01279	1.4
85.02827	1.3
87.00789	0.6
107.01274	1.8
109.02852	1.3
113.88361	0.4
121.02826	1.3
128.90836	0.4
133.02870	0.8
135.00710	0.6
137.02368	0.5
149.02344	0.7
151.00276	10.4
159.04460	0.7
163.00233	0.7
171.04459	0.6
175.00325	0.9
175.03958	0.8
178.99783	2.5
183.04460	0.8
187.03893	1.1
189.05417	0.4
193.01273	0.5
193.12357	0.6
199.03906	4.2
201.01978	0.9
211.03929	0.8
215.03456	1.9
226.02620	0.9
227.03462	5.0
229.05038	1.0
243.02948	5.5
254.02325	0.5
255.02963	8.2
256.03491	0.9
271.02469	67.8
272.02890	4.6
283.02341	1.2
284.03162	1.5
285.03976	4.8
286.04333	0.6
299.01944	100.0
300.02649	33.6
301.03491	43.1
301.08499	0.8
302.03809	3.0
313.03543	1.0
343.04498	1.7
359.14328	0.4
365.14349	0.8
437.05893	0.6
447.09219	2.4
462.07990	13.1
463.08752	6.9
464.08939	0.6
609.14569	31.1
610.14642	4.1
696.49878	0.5
771.19775	50.5
772.20294	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	771.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	1.7
59.01239	7.2
71.01249	1.8
71.52001	2.8
77.89736	1.4
85.02795	3.2
87.13237	1.7
88.85265	1.6
107.01216	2.5
111.00748	2.0
113.02386	2.2
121.02780	2.3
126.58812	1.6
138.45750	1.8
151.00253	12.9
163.00383	2.0
191.02020	2.4
193.12210	8.7
199.03976	2.1
227.03360	4.8
235.13484	2.6
243.02956	5.0
248.24904	1.9
271.02448	52.8
272.02713	3.3
285.03961	4.6
299.01938	100.0
300.02661	23.0
301.03461	29.7
353.01328	1.7
365.14578	3.9
463.08643	2.3
497.89511	1.9
608.13715	5.6
609.14380	18.1
744.01660	1.8
771.19745	86.5
772.19806	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	770.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50025	0.4
58.02847	22.8
59.01248	5.1
70.02850	3.6
71.01251	1.1
72.00766	2.3
73.02813	0.6
75.30339	0.4
76.46535	0.4
83.01256	0.5
85.02821	1.1
86.02381	0.5
89.02314	0.7
91.05410	2.1
101.02278	1.0
110.71154	0.5
128.03392	0.6
143.04503	0.7
147.04419	17.8
148.04764	0.7
161.04471	0.5
161.44604	0.5
162.09207	0.8
164.07080	53.1
165.07492	2.3
190.02676	0.5
205.04927	0.5
206.08159	100.0
207.08510	5.0
250.07138	0.9
268.74728	0.4
306.07739	2.1
321.44778	0.5
394.54410	0.4
497.03677	0.4
513.36212	0.5
622.65076	0.4
731.14105	0.4
770.26794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.6
59.01248	100.0
60.01580	1.4
61.98700	32.4
68.18117	0.6
69.67629	3.8
71.01256	4.7
72.99172	1.0
73.02822	2.5
79.06869	0.5
83.01241	1.3
85.02823	2.7
87.56494	0.6
88.98693	0.9
89.02302	1.4
96.95885	1.6
98.19952	0.7
99.00773	0.9
101.02341	2.1
113.02316	2.8
116.92732	0.7
119.04906	0.5
121.02863	1.4
137.02353	0.6
137.67487	0.5
143.03369	0.6
149.02414	0.7
151.00337	0.7
161.04474	1.4
171.10211	1.4
179.10918	0.6
189.26431	0.6
194.46460	0.6
201.11234	1.3
205.05029	0.7
207.10257	0.7
209.11737	4.6
225.11287	1.5
227.12881	1.0
239.12518	0.6
253.09235	1.2
269.04437	1.0
285.07669	1.8
287.16644	0.8
305.17587	2.0
311.77444	0.7
505.35632	1.7
591.35944	0.8
614.98999	0.6
646.74298	0.6
649.39557	15.1
650.40295	3.2
667.40936	1.7
693.38446	0.8
709.41754	8.4
710.42273	1.7
751.39679	0.9
769.24103	0.9
769.42126	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	769.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.3
59.01249	100.0
60.01596	1.4
61.98701	43.1
67.68008	0.6
71.01250	10.7
71.53562	1.0
72.99180	1.3
73.02820	4.2
75.00761	1.0
80.96380	1.9
83.01257	1.9
83.04886	1.2
85.02815	6.2
88.98683	1.1
89.02322	2.8
93.03358	0.8
95.04904	0.8
96.95910	2.7
98.97821	0.8
99.00791	1.7
101.02325	6.7
108.02061	1.0
109.06551	0.7
111.00793	1.2
113.02332	7.0
116.92764	0.8
119.03398	1.2
119.04934	1.6
121.02886	2.0
125.02379	1.4
128.13463	0.7
135.04498	1.0
149.02379	2.5
151.00288	1.2
160.01550	1.1
161.04520	2.2
163.03987	0.9
163.11293	0.8
164.04756	1.5
169.34558	0.7
171.10234	2.5
175.00366	0.9
175.04013	1.3
179.05669	0.7
190.02686	1.7
191.03409	0.8
195.06503	0.8
197.95209	0.8
205.05046	1.9
209.11751	5.3
211.13489	0.8
217.89117	0.8
223.06139	2.5
227.12860	1.7
239.30101	0.8
248.43921	0.7
253.09296	1.2
265.09277	1.0
269.04681	1.2
273.15231	0.9
285.04422	1.0
285.07706	2.8
287.16623	1.9
305.17694	1.4
328.91776	0.8
341.23514	1.0
387.29706	0.9
399.29056	0.9
447.31067	5.8
543.34845	0.9
591.35327	8.5
592.35980	2.3
609.36670	2.1
649.39417	16.2
649.49164	1.2
650.40320	2.8
651.37579	2.1
665.39319	1.3
667.41345	1.7
709.41595	8.4
710.41943	1.8
725.39813	1.3
751.40875	1.1
769.40674	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	769.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.1
57.03308	5.3
58.00449	2.4
59.01249	100.0
60.01580	2.0
61.98692	7.4
67.01749	2.2
69.03312	3.7
71.01250	69.5
71.52678	3.0
72.99162	5.5
73.02817	15.9
75.00729	3.9
79.95628	1.8
83.01265	9.9
85.02349	2.7
85.02822	32.9
87.00754	8.9
87.04374	2.4
89.02314	26.5
93.03321	4.7
95.01283	8.7
95.01806	2.0
96.95911	4.1
97.02811	3.8
99.00748	7.3
99.04556	1.4
101.02315	41.2
103.03867	8.9
105.30600	1.7
108.02054	10.1
109.02811	6.0
111.00773	8.5
113.02332	33.3
113.73793	1.9
119.03385	9.9
119.04900	5.6
121.02773	3.2
123.04390	4.2
124.01566	2.8
125.02306	7.0
131.03403	1.9
135.00764	2.4
135.04443	3.1
137.02347	3.2
143.03358	5.4
149.02341	6.0
149.05898	1.9
150.03120	2.1
151.00221	3.4
151.03844	2.3
152.01064	8.9
153.01788	4.9
159.02974	2.3
160.01619	2.2
160.03926	11.7
161.02292	5.2
161.04440	8.4
163.03894	4.8
164.04585	2.4
165.05496	2.8
167.03459	3.1
175.03966	2.0
176.01102	2.4
177.01857	3.4
178.62311	1.7
179.03365	3.9
179.05553	2.0
190.02696	4.1
191.03278	3.5
191.07062	2.2
193.05048	2.0
194.05704	2.7
195.06758	2.1
205.04997	3.9
207.02998	1.8
209.08084	5.2
223.06064	3.7
227.06960	2.2
231.13803	2.5
265.09366	3.1
269.04559	10.0
285.03967	4.4
285.11261	1.9
315.07147	4.2
321.25742	1.7
337.09296	3.4
339.07135	2.5
359.28055	8.8
383.06393	3.4
447.09094	3.3
503.32233	7.0
521.26575	2.1
521.33044	8.7
530.36420	1.8
537.23175	4.4
551.40063	2.0
561.92413	1.9
563.20905	3.8
581.29309	3.4
665.37427	98.1
666.37793	17.3
683.38525	53.5
684.38489	10.8
693.28009	1.9
725.39850	31.6
726.39996	7.2
769.26025	6.5
770.28571	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	769.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	4.2
57.22776	0.6
58.00462	1.1
59.01247	39.4
61.98702	34.6
63.07133	0.8
66.36516	0.7
69.31497	6.9
71.01250	21.1
72.99182	1.9
73.02812	4.7
78.19664	0.6
78.95784	0.9
80.96397	1.4
83.01250	3.0
85.02824	21.4
87.00747	1.0
89.02316	12.7
93.03333	2.2
95.01260	2.2
96.95894	1.6
97.02822	0.8
98.19789	0.8
99.00763	1.8
99.04377	0.7
101.02317	11.1
103.03887	38.2
106.04121	12.6
107.01267	0.8
107.04927	8.4
108.02067	1.1
113.02332	8.0
115.91945	0.8
117.05453	1.0
119.03399	4.8
119.04886	4.8
121.02856	3.4
123.04388	1.1
125.02338	1.1
125.09625	0.8
134.03583	1.1
135.04369	0.9
137.02304	2.1
138.03088	3.7
143.03342	1.1
145.04897	1.3
149.02348	1.9
149.06009	0.7
150.03120	1.2
151.00230	2.2
151.03812	0.7
152.00949	0.8
159.08032	2.6
161.04439	2.1
161.09631	2.1
163.03885	1.6
164.04700	1.1
164.88962	0.8
165.01791	0.9
177.01790	0.8
179.05518	2.2
182.02113	0.9
190.02707	1.5
203.07057	2.0
205.05048	1.5
209.11707	2.9
223.06059	1.6
225.11143	0.7
227.12784	1.0
229.15952	17.4
230.16200	1.0
242.23663	0.7
253.09369	0.7
265.09256	58.4
266.09628	3.5
268.03543	0.8
269.04562	1.5
271.06274	1.1
271.17056	0.9
272.14197	1.2
273.14944	49.1
274.15204	3.7
285.15012	1.2
287.16428	2.7
315.15976	24.8
316.16321	2.2
345.17007	2.6
375.18118	14.7
376.18585	1.3
390.95593	0.9
417.18982	2.3
435.20395	1.2
455.31311	0.7
503.22946	10.2
503.33923	0.9
521.23871	100.0
522.24261	14.9
649.39246	2.5
651.36810	0.9
665.39130	5.7
683.28442	1.1
709.40820	1.4
725.30103	63.8
725.40533	3.7
726.30353	12.9
769.31732	1.2
769.40894	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	769.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.8
59.01245	10.7
71.01241	7.4
71.52840	2.9
71.53222	2.3
73.02812	5.7
83.01212	2.6
85.02818	7.1
89.02330	4.2
93.03323	4.0
95.01212	1.9
97.02822	4.1
99.01376	2.0
101.90981	2.0
108.02023	2.8
109.02800	2.6
111.00770	16.1
111.52824	2.0
113.02333	3.1
119.04906	60.9
120.05251	2.4
126.37658	1.9
129.01674	1.8
143.03395	12.2
152.01076	4.7
153.01735	2.7
163.03905	100.0
164.04231	5.2
169.01334	15.8
191.05495	3.3
249.94981	2.1
269.04526	3.5
330.03430	2.5
345.06085	4.7
397.24673	2.3
404.35287	2.0
551.19501	2.5
637.17902	2.0
769.30603	4.8
794.10681	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	769.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78060	0.2
55.01745	0.6
56.61293	0.3
57.03306	0.7
58.00459	0.5
59.01252	20.2
61.98700	2.3
69.03307	0.7
69.21441	3.4
69.21736	0.3
71.01251	14.8
72.01601	0.4
72.99168	0.7
73.02815	17.4
75.00749	0.4
83.01262	4.1
84.57983	0.3
85.02827	2.3
87.00742	0.5
87.78162	0.3
89.02315	1.3
93.03337	0.5
95.01233	0.4
96.95915	0.8
96.99161	0.6
97.02825	0.6
99.00756	0.7
101.02319	9.1
103.03922	0.4
106.04126	11.5
107.01366	0.3
107.04920	6.5
108.02026	0.4
108.05207	0.3
113.02330	4.5
119.04910	2.0
121.02816	1.0
125.02330	1.1
127.82466	0.3
131.03354	0.6
137.02367	0.5
138.03123	2.8
143.03383	0.6
145.02769	0.4
147.08032	0.5
149.02347	0.6
150.03099	1.3
151.00322	0.4
155.03415	0.4
159.08041	2.9
161.04478	0.4
161.09592	0.4
166.02611	0.4
173.09827	0.3
182.02153	1.0
190.02516	0.4
193.32103	0.3
195.13878	0.4
203.05525	0.4
203.07079	2.5
204.07681	0.3
205.04941	0.5
223.05992	0.4
229.15924	20.1
230.16273	1.9
239.12706	0.5
241.15839	0.6
255.02942	0.4
257.15454	1.3
269.15463	0.7
271.05933	0.3
271.16974	1.3
272.14194	1.4
273.14944	100.0
274.15305	8.2
283.02527	0.3
284.03104	0.6
285.03940	0.4
285.14966	1.2
287.16638	2.5
299.05582	0.8
311.16443	0.5
315.15988	33.3
316.16306	3.1
327.16016	1.2
345.16922	1.6
357.17056	2.4
375.18323	0.4
396.33463	0.4
417.19174	8.7
418.19571	1.1
435.20139	1.3
477.21259	87.0
478.21609	11.5
489.10471	0.4
519.22333	0.4
641.23907	0.3
687.74689	0.4
769.34601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	3.2
59.01248	100.0
71.01254	29.8
71.52679	2.3
72.99156	3.6
73.02812	20.5
81.03288	1.5
83.01254	7.7
85.02807	8.5
87.00739	17.6
89.02312	12.4
95.01220	2.0
96.95872	1.5
99.00752	3.3
101.02321	25.1
108.02039	2.6
111.00753	8.1
113.02319	13.2
119.01272	2.1
119.03364	3.9
121.02803	3.3
123.04341	1.5
125.02288	2.2
129.01683	1.7
131.03427	3.2
131.07002	1.8
134.03630	1.6
138.03119	3.5
143.03381	4.2
147.00758	2.4
147.02806	1.5
149.02357	10.8
149.04468	3.3
150.03043	2.6
151.00267	2.3
152.01077	2.8
153.01810	1.6
153.05434	2.4
157.12982	1.3
161.02345	7.4
161.04454	7.8
161.05621	1.9
163.03900	5.5
164.04683	13.2
165.01886	1.5
165.05437	2.0
166.02579	4.3
175.00294	14.5
176.04677	5.1
177.01810	3.3
179.03424	9.3
179.05580	2.3
179.07007	10.4
181.05017	4.5
187.13254	2.2
190.02631	28.6
191.03349	7.3
191.05450	2.3
191.07014	1.7
194.05763	10.7
205.03069	1.7
205.04990	31.8
206.05441	2.6
207.02994	1.9
208.03816	2.2
209.04523	1.9
209.08086	9.3
219.02917	2.6
220.03879	1.3
221.06407	1.9
221.08218	2.5
222.05232	2.4
223.06047	8.9
232.03374	1.6
234.05286	4.6
237.07574	1.9
247.05965	1.9
249.07629	3.2
250.04802	2.0
264.06381	2.0
265.07144	9.7
279.08731	2.0
289.12888	2.1
291.08716	2.5
331.17523	9.0
337.08957	3.0
347.16760	2.4
349.18573	11.3
353.08478	3.2
367.10321	22.4
368.10477	1.6
391.19669	16.7
633.18311	8.1
655.55688	1.8
693.20532	4.0
725.22467	3.8
751.20923	15.0
752.20929	4.3
769.21808	48.6
770.21808	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	769.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04042	0.6
55.17760	0.6
57.03319	0.7
59.01248	16.3
59.01540	1.2
61.98684	1.4
63.02263	1.2
65.00205	1.7
71.01252	11.2
72.61893	0.6
72.99181	1.6
73.02821	3.6
75.00741	0.9
78.89265	0.7
78.99667	0.7
83.01274	2.2
85.02809	6.7
87.00768	2.1
89.02321	3.6
93.03362	2.6
95.01298	1.0
99.00763	1.0
101.02322	5.9
103.03908	0.7
107.01260	2.1
108.02066	2.2
109.02859	1.5
111.00790	1.0
113.02325	5.2
117.03363	3.9
119.03432	1.6
119.04950	1.9
121.02855	2.7
123.04439	1.3
129.01924	0.9
133.02850	1.6
135.04396	2.1
137.02353	2.1
148.01553	5.9
149.02368	5.8
149.06079	0.7
150.03136	29.2
151.00287	1.1
151.03917	3.7
152.01059	3.4
153.01807	3.0
155.03394	1.0
159.03021	0.8
159.04448	1.2
160.03923	4.6
161.02324	0.8
161.04390	2.1
163.03964	2.5
164.04675	1.0
165.05486	7.2
167.72893	0.7
168.96320	0.7
175.00256	0.9
176.01071	51.9
177.01807	8.3
178.99925	0.7
183.04430	1.1
190.02649	1.0
191.03432	39.7
192.03831	1.5
193.01341	1.2
194.02118	8.2
195.02869	3.1
197.06142	0.9
205.03282	0.7
205.05118	0.8
209.04503	13.1
223.06070	0.8
225.05469	0.8
239.03673	0.8
244.03259	0.8
257.12650	0.7
265.09293	1.1
268.03751	30.5
269.04529	100.0
270.04898	8.3
283.06058	1.5
285.03989	0.8
293.04541	1.5
356.08923	0.7
366.08298	1.2
367.08661	1.5
397.11398	0.9
417.20938	1.0
431.09772	3.6
499.14484	2.4
503.32361	1.0
521.32965	1.1
559.14343	3.8
577.15802	1.7
664.36322	2.0
665.37524	10.1
675.26025	0.8
682.37390	1.0
683.38525	5.1
725.40125	3.8
769.19666	96.8
770.19788	15.0
770.32355	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	769.1831
Annotation	Tricetin 7-glucoside-3'-[6''-(3-hydroxy-3-methylglutaryl)glucoside
Peak:m/z	Relative Intensity
56.00772	1.5
57.03318	2.2
59.01244	14.4
69.24534	17.1
71.01243	3.8
73.02802	1.7
76.22940	1.4
77.90002	1.5
83.01265	2.1
85.02820	3.1
99.16628	1.4
101.02302	2.7
121.02839	2.8
151.00285	10.4
161.04379	1.5
163.92546	1.7
172.09715	1.9
173.04285	1.6
177.13901	1.7
178.99719	1.8
227.03372	3.4
241.52080	1.5
243.02968	4.6
255.02989	5.7
271.02466	58.6
272.02777	7.0
273.03873	1.5
285.04102	3.7
299.01935	100.0
300.02621	34.4
301.03482	54.9
302.03827	3.0
403.43124	1.5
457.90714	1.7
462.08072	25.7
463.08859	23.4
505.09866	10.2
545.12885	3.3
607.12970	24.2
608.12854	1.9
625.14038	31.7
626.14624	2.9
667.15155	26.0
668.14514	3.8
673.56842	1.9
707.17834	10.6
769.18213	33.2
770.19128	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	767.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.8
59.01250	100.0
60.01590	1.6
61.98703	20.3
64.02646	0.5
70.05841	2.5
71.01251	7.2
72.99177	0.6
73.02808	4.7
75.20549	0.5
83.01267	1.7
85.02808	4.3
87.00769	1.1
89.02339	2.3
93.03371	1.0
95.01284	1.0
96.95911	0.9
97.06491	0.5
98.20620	0.5
99.00764	0.9
100.38533	0.5
101.02336	3.3
101.10620	0.5
108.02119	0.8
109.02872	0.5
113.02336	5.7
116.92768	0.7
119.03445	0.9
119.04914	0.8
121.02867	1.5
129.01797	0.5
130.37285	0.5
137.02338	1.5
143.03389	0.6
147.79993	0.5
149.02367	1.3
160.03937	3.2
161.04504	2.6
163.03925	0.6
164.04681	0.8
171.10170	0.6
178.25119	0.5
190.02646	1.3
191.03455	0.6
193.04961	0.8
205.05054	1.4
209.11771	1.4
223.06100	1.1
269.04584	0.6
315.05524	0.5
362.29752	0.6
425.30862	0.7
503.34012	4.1
504.34525	1.0
561.34528	0.7
617.37451	0.9
647.37976	26.8
648.38550	3.7
665.39313	1.6
691.37823	1.1
707.40167	10.0
708.40332	1.4
723.40717	2.3
767.43268	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	767.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.8
58.04182	0.7
59.01246	10.8
67.43516	0.6
69.45015	5.8
71.01250	8.5
72.99175	0.7
73.02815	2.7
75.00736	2.5
81.03303	1.8
83.01270	2.5
85.02814	5.8
87.00732	1.2
87.04382	2.2
89.02314	2.1
93.03336	2.9
95.01272	2.6
97.02833	0.9
98.20511	1.6
99.00761	1.4
101.02306	3.6
104.12243	0.6
106.04108	10.6
107.04895	2.8
108.02045	75.0
109.02848	31.5
110.03171	1.8
111.00776	1.6
113.02332	4.1
119.03470	0.8
119.04912	1.5
121.02809	4.3
123.00764	1.7
123.04389	1.8
125.02332	1.0
134.03642	0.7
135.00824	1.1
135.04353	0.9
137.02325	1.5
138.03142	1.9
147.04466	0.7
147.08060	1.0
149.02304	2.3
150.03166	1.3
151.00189	0.7
151.03893	1.9
152.01047	94.5
153.01840	27.2
154.02173	1.1
160.03976	2.3
161.04590	0.9
163.03918	2.6
163.11238	0.8
165.01866	2.6
167.03462	1.1
175.11195	13.4
176.11462	0.8
177.01907	1.2
182.02174	1.1
187.11165	4.6
195.02939	1.2
203.10727	1.1
217.12328	0.8
219.10326	1.5
237.06108	1.7
245.44640	0.7
263.16547	3.2
263.91541	0.8
285.03891	0.8
289.14441	1.4
307.15485	44.2
308.15839	3.1
315.07199	24.0
316.07504	1.6
321.16666	0.7
349.16660	1.6
451.19611	7.3
452.20032	1.2
561.23352	1.1
585.49561	0.9
605.22314	45.2
606.22632	7.8
647.23431	2.3
767.27600	100.0
768.27985	21.7
768.41931	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2185
Annotation	CHEBI:65996
Peak:m/z	Relative Intensity
57.03307	0.7
59.01247	28.5
60.01573	1.3
61.98698	5.8
63.02266	0.5
65.00198	0.5
69.03312	0.8
71.01253	4.9
72.99192	0.4
73.02816	1.7
75.00719	0.7
76.15434	0.3
79.93606	0.5
83.01274	0.9
85.02813	3.5
86.47141	0.4
87.00749	1.7
88.98685	0.6
89.01749	0.3
89.02308	2.0
89.03812	1.9
90.99889	0.5
93.03336	1.1
95.01263	0.5
96.51164	0.4
96.95892	1.2
98.19783	1.0
101.02307	4.1
103.03864	2.4
106.04125	0.8
106.31358	0.4
107.01283	0.9
108.02011	0.4
109.02847	0.5
111.00774	0.5
113.02290	2.2
117.03339	6.3
119.03416	0.6
119.04902	1.6
121.02843	1.4
125.02348	0.4
127.03851	0.6
132.02052	9.1
133.02878	1.2
134.03622	89.0
135.03935	3.2
137.02324	2.8
139.03859	0.6
143.03319	0.5
145.02841	0.4
148.01451	0.5
149.02357	1.2
149.05986	7.3
149.07063	0.8
150.03122	0.6
150.06300	0.5
151.00269	1.7
152.01035	0.6
159.04439	0.5
160.01561	28.9
161.01950	0.9
161.04482	0.7
163.03824	0.6
164.04614	1.0
175.03914	35.2
176.04285	1.2
178.02620	6.7
179.05594	0.4
190.02660	1.1
193.04977	100.0
194.05298	3.9
205.04990	1.8
217.04924	0.6
223.06012	1.7
227.16481	0.9
235.06104	0.5
239.03346	0.8
239.12921	0.5
240.04263	1.1
265.09302	0.8
268.03738	59.7
269.04166	5.8
271.06119	0.8
271.61514	0.4
279.23392	0.5
283.06085	87.0
284.06454	6.4
309.20667	1.1
321.09634	2.3
381.11844	4.8
415.23099	0.6
433.24356	1.0
483.15253	2.3
519.32764	0.6
559.14685	0.6
582.91187	0.5
591.17035	0.5
646.36652	1.1
647.17871	0.5
647.37286	0.7
664.37585	0.5
706.38867	1.3
707.39655	0.7
723.34253	8.1
724.34589	0.5
766.40875	0.9
767.21863	21.7
767.35956	2.0
768.22021	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	765.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.6
57.03316	0.7
59.01249	100.0
60.01591	0.8
61.98703	8.5
69.03336	0.3
71.01257	4.6
71.44601	0.8
72.99178	0.6
73.02834	1.2
75.00756	0.5
76.15625	0.3
83.01280	0.8
85.02825	2.8
87.00780	0.7
87.79725	0.3
88.98695	1.6
89.02330	0.7
93.03340	0.6
93.24630	0.4
95.01279	0.5
96.95908	1.0
99.00783	0.8
101.02335	1.5
103.03904	0.5
108.02094	0.4
113.02332	2.6
119.04899	0.5
121.02779	0.4
125.02358	0.5
137.02379	0.7
143.03421	0.5
151.00287	0.4
152.01170	0.4
159.04309	0.4
161.04475	0.8
165.05492	0.3
190.02626	0.4
195.06528	0.6
205.05013	0.4
209.11874	0.6
211.13379	0.6
241.14584	0.5
245.08278	0.6
295.25650	0.4
306.07626	0.6
312.85965	0.4
447.08456	0.4
501.32428	2.0
561.54590	0.4
597.34418	0.4
615.35889	1.5
645.36389	25.5
646.36700	5.7
663.37317	3.0
664.38068	0.5
705.38525	19.2
706.38898	4.8
721.39948	0.6
765.40381	2.5
766.41217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.7
59.01250	100.0
60.01562	0.9
60.99210	0.5
61.98700	25.5
69.03334	0.5
69.18827	1.6
69.19230	5.6
71.01251	6.2
72.99187	0.9
73.02830	2.3
75.00759	0.9
83.01290	0.6
83.04893	0.6
83.86736	0.5
85.02838	4.2
88.98690	2.7
89.02326	1.9
93.03362	1.3
95.01311	0.7
96.95890	1.6
98.19752	1.3
101.02311	3.2
109.24509	0.6
113.02331	3.4
116.92764	1.7
121.02873	0.9
125.02334	0.6
137.02362	1.1
143.03430	0.9
149.02367	0.9
149.05989	0.6
159.72551	0.6
161.04510	0.9
163.03952	0.7
198.69762	0.7
209.11873	1.3
255.97879	0.7
269.04593	0.7
355.11545	0.7
501.32660	1.5
587.32825	1.0
615.36182	0.7
645.36438	11.9
645.46179	1.0
646.36981	1.1
663.37451	3.7
664.37592	1.0
705.38446	19.0
706.38983	4.4
721.39490	1.2
765.40820	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	765.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.7
57.03315	4.0
59.01250	100.0
61.98705	36.9
69.03313	2.4
69.29303	9.6
69.29719	3.4
71.01253	37.9
71.01623	2.8
72.99181	3.7
73.02821	9.1
75.00754	3.9
81.03320	1.6
83.01253	8.0
83.04887	3.1
85.02818	9.7
87.00750	9.1
88.98679	3.2
89.02308	23.4
93.03332	2.9
95.01236	2.0
95.04847	1.5
96.95893	5.7
97.02843	6.3
97.06472	6.1
98.19816	2.3
99.00748	2.6
100.94189	1.6
101.02316	27.3
107.04928	1.6
109.06464	1.6
113.02315	13.7
115.96417	1.4
119.03378	8.5
119.04906	1.8
120.92602	1.4
121.02811	2.8
123.04429	2.4
123.08036	2.1
125.02322	7.5
125.09593	4.3
130.17081	1.5
135.07947	1.6
137.02313	3.6
137.09647	4.7
143.03375	4.4
149.02394	1.6
161.04451	6.1
161.09543	1.7
163.11214	6.5
165.12726	3.7
167.10710	1.4
171.10135	2.3
179.05536	4.9
179.10620	1.4
181.12288	3.0
185.11743	3.9
191.10643	2.2
191.14359	5.2
207.10129	3.1
209.11768	18.5
211.13385	3.3
221.06656	2.2
225.11203	2.5
225.79755	1.5
227.12830	3.5
235.08234	6.3
245.19089	17.2
263.07770	2.6
263.20087	4.9
271.16937	2.1
289.18094	53.1
290.18408	3.5
305.08572	2.0
307.19128	75.7
308.19519	5.0
323.09708	2.2
325.19809	1.8
339.25665	1.5
397.13461	50.3
398.13702	3.3
415.14520	36.6
607.26086	8.5
645.36298	12.2
646.36798	1.5
659.27173	2.6
663.37952	2.0
687.32458	2.3
705.32471	8.1
706.38239	1.8
721.37366	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	765.354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.1
60.99174	17.1
61.98702	1.2
66.20859	0.2
70.43930	0.2
70.55112	0.8
71.01249	1.1
85.02824	0.3
87.00753	2.3
88.00269	4.4
88.98672	100.0
89.02309	19.0
89.99023	0.7
98.20442	0.3
101.02322	0.5
102.52095	0.2
109.06492	0.3
113.17706	0.2
139.65858	0.2
158.42889	0.2
207.10252	0.9
225.11156	0.3
253.09534	0.3
277.21738	1.1
286.45755	0.2
304.87115	0.2
397.13416	1.6
398.13824	0.3
415.14682	0.4
637.13385	0.2
685.23798	0.4
765.39490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.5
60.99174	18.2
61.98697	1.3
63.06348	0.3
65.91024	0.2
69.19212	1.5
69.19639	1.5
71.01250	0.7
76.15053	0.2
87.00746	6.1
88.00275	5.9
88.01099	0.6
88.98672	100.0
89.02307	36.6
89.99011	0.7
90.02649	0.5
98.68298	0.3
101.02308	0.4
113.02296	0.4
154.87866	0.3
179.05487	0.3
235.08134	0.3
277.21738	1.4
326.71225	0.3
397.13452	2.4
415.14621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	7.6
59.01248	67.1
61.98703	18.6
65.00198	2.4
65.19368	1.4
68.99680	1.7
69.29048	7.5
69.29472	8.2
71.01252	47.1
71.04881	2.0
72.01566	2.0
72.99171	2.9
73.02814	14.3
74.74631	1.6
75.00729	2.4
80.63966	1.7
81.03345	3.0
83.01234	7.7
83.04893	2.8
84.65640	1.7
85.02798	25.9
87.00742	5.5
88.98687	1.9
89.02307	14.7
91.60025	1.5
93.03330	7.7
94.42238	1.5
95.01262	4.3
96.95913	4.0
97.02796	3.1
99.00776	3.6
99.04393	4.5
101.02319	25.2
103.03880	28.6
104.04226	2.3
107.04891	2.1
107.69301	1.6
108.02050	60.8
109.02263	1.9
109.02852	22.5
110.03165	2.0
111.00761	10.2
111.04346	1.9
113.02328	20.8
114.04494	1.5
117.05466	1.7
119.02647	1.6
119.03407	9.2
119.04910	15.4
120.99508	2.4
121.02833	9.7
122.03620	14.4
123.00747	4.0
123.04391	3.6
123.08038	8.7
124.01559	2.6
125.02307	7.3
134.03583	2.3
135.00752	4.0
135.04434	7.9
136.01573	4.5
137.02345	9.0
143.03409	4.0
149.02335	5.0
150.03049	1.8
151.00237	4.9
151.03883	5.3
152.01051	69.2
153.01855	18.0
160.03908	6.9
161.04428	5.4
161.05838	1.6
161.09595	1.8
162.06763	2.3
163.03912	10.2
163.11113	1.8
164.03273	2.3
164.04620	2.7
165.01814	6.5
165.05469	3.4
166.02589	4.1
167.03384	2.5
176.01068	1.6
177.01923	2.7
177.09114	1.8
177.12801	2.0
179.05574	3.2
181.04958	2.0
189.09094	2.3
190.02620	3.9
191.03378	1.9
193.04907	1.9
195.06502	2.8
199.08833	2.0
201.09166	2.5
203.05441	1.7
203.10706	7.5
205.04999	2.2
205.12291	2.5
206.05772	2.8
217.04967	3.1
219.06569	5.2
223.06160	2.7
223.13278	1.8
229.69560	1.9
235.06125	2.0
236.26588	1.6
242.11833	1.5
245.08063	2.1
245.11703	4.8
247.08015	2.7
251.09402	1.9
261.15015	7.9
265.09192	18.4
266.09601	3.9
267.09659	2.3
269.04410	5.2
271.06207	1.9
279.10907	4.7
285.03973	5.5
287.12766	3.5
297.11798	1.9
300.02603	2.1
301.03543	2.5
305.13889	31.9
306.14349	2.7
307.10364	2.5
315.07230	31.2
319.14600	1.8
337.10938	2.8
355.11911	3.3
394.07635	1.7
447.09052	2.2
449.18155	12.3
517.16302	3.3
517.22998	3.5
517.30133	6.7
559.21558	17.4
559.30945	7.5
560.21704	3.6
585.19623	3.9
603.20782	76.3
604.21332	13.5
645.21869	3.1
663.35846	2.8
721.34735	6.4
765.25330	100.0
766.26007	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	5.9
63.08065	0.8
63.16809	0.9
69.03307	1.2
71.01253	8.5
71.08231	1.5
71.08549	1.0
73.02807	1.3
81.03321	2.2
83.01257	1.1
87.00735	1.1
89.02312	3.3
93.03324	3.3
95.01241	3.6
99.00767	1.3
101.02327	4.2
106.04124	8.2
107.04904	1.1
108.02046	70.5
109.02850	29.4
113.02380	4.1
121.02834	6.3
123.00786	2.8
123.04335	1.2
125.02307	1.5
135.00774	1.6
135.04381	1.0
136.01582	0.9
137.02335	2.6
138.03102	3.2
146.07115	1.0
147.08072	1.2
147.42226	0.8
149.02286	3.3
150.03105	1.5
151.03888	3.6
152.01050	100.0
153.01846	29.4
154.02194	1.2
159.08116	0.9
160.03946	14.7
161.02333	1.0
161.04272	6.0
161.09604	14.8
162.09976	1.2
163.04030	1.9
163.07477	1.1
165.01866	1.8
165.05388	1.1
177.01813	0.9
195.02928	1.6
203.07011	1.6
205.06927	1.3
205.08638	15.2
207.02954	0.8
243.13754	1.5
265.09158	1.4
287.12927	2.7
297.06268	1.1
297.12006	4.6
305.13943	24.5
306.14224	1.6
315.07202	24.4
316.07361	1.2
349.12888	4.2
366.08087	3.9
367.08612	3.3
390.08490	1.2
449.18216	6.2
459.09290	1.4
503.15744	1.7
559.21698	1.0
603.20813	53.7
604.21045	8.6
645.21448	2.3
765.26019	90.0
766.26031	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	763.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
57.03321	8.9
58.00450	1.6
59.01248	43.8
61.98682	2.0
62.62593	0.5
69.78714	2.4
69.79124	1.3
71.01252	26.7
71.86902	0.6
72.99173	1.7
73.02398	0.7
73.02813	12.0
75.00744	0.9
81.03301	0.6
83.01259	6.0
83.04890	2.0
84.18932	0.6
85.02818	32.0
87.00745	2.4
89.02319	12.6
93.03326	1.0
95.01241	0.9
95.02281	0.5
95.04869	1.0
97.02835	1.2
98.19892	1.1
101.02322	17.3
101.05947	0.8
103.03886	67.5
104.04198	1.3
107.04900	1.4
108.02024	1.1
109.02853	0.9
113.02327	8.8
117.05471	1.2
119.03388	4.8
119.04900	2.6
121.02834	0.8
121.06466	0.7
123.04398	0.8
125.02330	1.2
126.62357	0.8
127.03838	0.8
131.03351	1.4
133.06490	0.6
135.04404	1.2
135.08046	0.6
143.03358	1.2
145.04922	2.4
147.08032	0.7
149.05927	0.7
151.00275	0.9
152.01056	0.7
157.04933	1.4
161.04437	1.7
161.09613	2.3
161.13290	1.2
163.03915	1.5
163.11156	2.6
179.05501	1.2
187.11266	4.4
189.09134	4.3
199.64288	0.6
205.12274	3.9
207.10127	3.0
223.13309	5.4
229.12372	0.7
231.10240	1.4
247.08115	6.4
249.11206	2.4
265.09271	58.1
266.09598	3.5
267.12286	1.7
268.12839	0.8
269.04535	1.2
273.19769	0.6
307.10339	7.4
369.15384	0.8
411.16537	0.7
427.73566	0.6
429.17487	0.7
430.02039	0.6
436.71677	0.6
453.21149	1.9
455.19061	6.2
471.22409	1.6
479.19388	0.9
497.20233	5.1
515.21289	13.7
516.21625	1.3
557.21979	1.6
617.24365	3.3
677.26569	8.2
678.26678	1.1
683.21338	0.8
740.82904	0.7
745.29382	3.5
763.30200	100.0
764.30511	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	761.5718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.2
61.98697	0.3
66.13258	0.1
69.51272	1.2
69.86925	0.2
71.01250	0.3
91.13161	0.1
94.02254	0.2
138.52837	0.1
150.46098	0.1
158.07378	0.2
175.27278	0.1
254.36119	0.2
260.52200	0.2
281.24860	0.4
354.85831	0.2
429.33691	100.0
430.34027	14.5
784.42572	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34453	0.8
57.03321	7.9
58.00454	1.6
59.01250	37.8
61.98689	2.5
65.51668	0.8
68.68114	0.7
69.03307	1.3
69.19259	2.4
69.19678	5.4
71.01254	22.7
71.22565	0.7
72.99197	1.3
73.02815	10.7
75.00704	1.1
83.01254	3.6
83.04891	1.9
85.02818	28.1
87.00749	2.4
89.02313	11.9
93.03337	0.8
95.01274	1.3
97.02819	1.0
99.00780	1.3
99.04354	1.3
101.02319	15.7
101.60696	0.7
103.03889	49.8
104.34615	0.9
111.00793	1.6
113.02326	8.4
117.05421	0.8
119.03377	4.1
119.04881	1.2
125.02245	0.8
135.04442	1.2
137.02351	0.9
143.03381	1.1
145.04927	2.1
147.08170	0.8
149.09636	0.7
152.01027	0.9
157.04987	0.9
159.02977	0.8
159.36967	0.8
161.04439	1.5
161.09598	2.3
163.03963	0.9
163.11134	2.2
179.05492	0.9
187.11223	3.2
189.09093	1.9
205.12222	2.2
207.10095	2.6
223.13297	4.9
231.10272	0.9
247.08215	6.0
249.11235	1.7
265.09271	45.7
266.09616	2.4
267.12268	2.0
269.04449	1.9
285.04156	0.9
307.10287	7.4
453.21027	1.4
455.18976	2.5
471.22015	0.9
479.19275	1.6
497.19815	3.5
498.20438	1.2
515.21375	13.6
515.28381	1.6
516.21716	1.4
557.21906	2.0
557.29492	1.0
602.44531	0.9
617.24768	3.6
677.26569	9.6
678.26605	1.3
745.29669	1.1
763.30212	100.0
764.30682	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	761.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	1.2
57.03317	1.4
58.02840	1.1
59.01248	17.3
61.98697	13.6
71.01246	23.7
71.08393	2.2
73.02817	5.0
74.02322	2.0
75.00735	1.6
83.01237	2.7
83.04868	1.9
85.02808	7.9
86.02299	1.4
87.00721	2.1
87.84109	1.0
89.02296	3.2
90.98412	3.7
93.03321	17.2
93.17835	1.0
95.01233	1.7
96.95846	2.0
99.00729	1.9
99.05486	1.6
101.02325	8.1
103.03854	2.4
106.04122	11.4
107.01241	1.1
107.04850	3.5
108.01991	2.3
109.02831	1.6
111.00762	1.4
111.87427	1.1
113.02322	8.6
115.00253	5.6
116.92736	1.2
117.03296	1.8
119.04913	29.7
120.01125	1.2
120.05190	1.0
121.02786	3.8
123.04399	1.7
124.01505	1.1
125.02294	1.8
125.03371	1.2
127.03851	2.4
128.03419	5.8
129.03784	1.0
130.04105	1.2
131.04890	1.5
132.05687	1.8
133.06445	1.2
135.04456	1.1
135.07985	1.9
137.02298	2.2
137.09540	1.3
138.03069	4.4
143.03519	1.3
143.04480	6.9
145.06488	10.0
147.04314	1.5
149.02264	2.3
150.03047	3.6
151.00192	3.2
152.00900	1.3
153.06459	1.1
155.60507	0.9
159.08003	1.3
160.03896	1.6
161.04378	2.4
163.03917	11.7
164.04552	1.3
165.01834	1.1
165.05406	1.1
166.02576	1.3
166.99834	1.0
171.10144	1.3
175.03879	1.0
175.07445	1.2
175.11203	14.2
179.04524	2.4
182.02109	2.8
187.11118	1.5
190.02571	1.4
190.70638	1.0
203.03430	2.0
205.04926	2.2
205.08607	1.2
209.05869	1.2
210.06721	3.2
210.08620	2.3
211.05728	1.4
211.07567	24.9
212.07880	2.2
215.14268	1.6
223.07529	3.0
227.14314	2.6
237.09145	16.8
238.09689	2.5
239.10732	24.3
240.10988	1.6
241.14255	1.5
245.15335	5.4
253.08511	4.3
254.07768	3.7
265.08884	2.1
269.04422	4.3
271.05771	1.2
272.08850	7.6
273.09158	1.8
273.14691	1.2
285.04065	1.1
285.07471	1.2
289.14435	50.7
290.14731	3.8
303.15891	1.4
331.15475	1.8
334.61996	1.0
433.18686	18.8
434.18738	1.5
525.58368	1.3
581.26599	1.4
597.23340	1.3
598.28137	1.2
599.28583	5.3
620.70758	1.4
645.26971	7.5
646.27332	1.8
673.29730	2.9
673.40686	2.6
717.28564	4.9
761.27704	100.0
762.28339	27.2
771.84717	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26748	1.0
57.03300	2.9
58.00444	1.0
59.01249	26.1
60.99192	0.9
61.69330	0.9
61.98701	9.1
65.00165	1.2
66.95251	0.9
68.99658	1.2
69.03295	1.0
71.01254	26.1
72.99166	1.4
73.02818	5.8
77.22757	0.9
79.52750	0.9
83.01226	3.7
83.04886	4.9
85.02438	0.8
85.02821	8.6
87.00728	2.3
88.98665	1.1
89.02329	4.9
93.02786	1.1
93.03337	19.3
95.01227	1.8
96.23734	0.9
96.95853	3.9
96.99187	1.5
97.02824	1.3
99.00727	1.9
101.02321	10.4
103.03907	5.2
106.04111	12.3
107.01266	2.0
107.04871	2.5
108.02026	3.2
111.00764	1.3
113.02322	7.0
115.00249	7.5
116.92683	1.3
117.03332	2.2
119.03394	1.5
119.04923	21.7
121.02827	4.4
123.08017	3.6
125.02266	2.8
127.03922	5.6
131.04918	1.5
132.05698	1.4
133.02800	1.1
133.06468	1.0
135.04388	1.8
137.02255	2.7
137.05957	1.0
138.03082	4.6
139.07487	1.5
143.07062	0.9
145.02815	2.0
145.06496	13.1
147.04373	1.5
149.02287	3.8
150.03149	5.0
151.00195	4.1
151.03702	1.0
153.01765	1.5
160.03918	1.7
161.04422	2.1
161.09560	2.8
163.03905	10.8
164.04567	1.7
165.05417	3.5
166.02592	1.5
171.10069	1.0
175.11156	2.2
177.05463	1.3
182.02055	3.7
187.11171	12.6
188.11374	1.0
190.02608	1.6
195.06566	1.2
195.13911	1.3
203.03384	3.2
204.01094	1.4
205.04984	2.0
205.08607	2.3
209.11745	2.1
210.06711	4.2
211.07576	33.5
212.07904	2.6
222.06844	1.9
223.07538	3.0
227.14296	2.7
229.12271	2.3
231.10164	5.0
237.07059	1.1
237.09180	16.6
238.09660	2.3
239.08359	1.5
239.10735	26.0
240.10936	1.9
241.14340	1.2
245.15445	2.1
253.08638	4.7
265.09061	2.9
268.03732	2.7
269.04529	27.4
270.04758	2.1
271.05923	2.2
271.13297	1.5
273.14905	1.3
285.04211	1.1
285.07565	3.3
289.14450	42.5
290.14670	4.0
295.10254	1.6
306.07544	1.8
309.07462	1.0
433.18677	23.6
434.18710	3.0
496.08713	1.8
513.27441	1.8
529.29889	1.9
547.71460	1.2
579.16071	1.4
597.22900	1.5
637.22784	1.9
645.26794	15.6
646.26697	3.2
673.29633	2.9
717.27802	2.2
718.29248	1.4
761.27765	100.0
762.28259	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	761.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.2
61.98700	0.9
65.00175	0.6
71.01254	2.5
73.02808	0.6
83.01266	0.5
85.02824	1.0
87.00763	0.3
87.17218	0.3
89.02329	0.7
90.97961	0.3
93.03323	2.0
101.02323	1.3
103.03883	0.4
105.06955	0.4
106.04116	0.4
107.04905	1.0
108.02029	0.7
113.02330	0.7
119.04887	1.5
121.02864	0.7
123.04396	1.5
129.06979	0.9
131.04907	1.4
132.02068	0.7
133.02899	0.8
134.03506	0.3
137.02315	0.8
145.02800	0.8
145.06474	0.4
147.04382	0.4
147.08089	0.6
149.05980	4.8
151.00264	0.5
151.66722	0.3
157.06531	0.5
159.04323	0.5
161.04489	0.4
161.05940	0.7
163.03888	0.5
172.05237	0.3
173.06006	4.3
175.03880	1.2
175.26347	0.3
185.05981	1.3
189.05527	1.6
191.07025	0.4
195.04480	0.3
199.03931	0.6
201.05492	1.0
202.06253	0.6
211.03906	0.5
211.07587	1.0
215.03380	1.2
216.04228	0.3
217.05002	13.2
218.05280	0.7
219.08052	0.5
224.04698	0.5
229.04994	1.9
230.05688	1.0
233.09618	0.4
237.09143	0.9
239.03462	0.4
239.10715	0.5
243.02878	0.4
249.05597	0.4
251.03430	0.6
251.07193	0.4
252.04352	0.6
253.08780	0.4
263.07156	3.0
264.07736	0.5
265.08829	0.6
266.09531	0.6
267.02960	3.4
268.03714	0.6
269.04642	0.5
271.06082	0.5
277.05225	0.4
277.08694	1.5
279.02902	1.0
279.10254	1.7
281.04373	0.4
289.08627	0.4
291.06641	0.9
292.06995	0.4
293.08197	0.5
295.09729	1.1
305.08142	0.6
307.06174	1.0
307.09766	2.7
308.06680	0.3
309.88150	0.4
321.07681	0.9
323.05408	0.4
323.09219	10.3
324.09451	0.9
350.07938	22.5
351.08701	100.0
352.09045	9.2
363.08856	0.4
364.09628	0.4
393.09857	2.0
513.13977	13.6
514.14105	1.9
555.15015	26.9
556.15326	4.0
761.28119	2.7
762.28210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83525	0.8
57.81490	0.9
59.01252	16.1
61.98700	8.0
71.01255	11.7
71.21844	1.6
72.99184	0.9
73.02813	3.9
81.03321	1.1
83.01282	1.6
83.04871	1.2
84.19456	0.8
85.02834	5.6
87.00742	2.6
88.98660	0.9
89.02294	4.3
93.03344	3.0
95.01289	1.0
95.02628	0.8
96.95887	2.1
97.02828	1.2
99.00751	2.3
99.04424	1.1
101.02301	7.1
103.03896	2.2
106.04115	1.1
107.04914	1.8
108.02052	2.3
109.02840	2.1
109.06480	1.3
111.04400	2.0
113.02319	5.4
119.04916	26.4
120.05366	0.9
121.02828	2.7
121.06488	2.1
122.03656	1.4
123.04412	1.5
123.08005	1.5
124.20466	0.8
125.02330	1.7
133.02826	1.0
134.03648	2.1
135.04422	3.4
135.08083	1.4
136.05197	34.0
137.02353	1.6
137.05959	2.6
138.03101	1.1
145.02864	1.6
147.04378	1.2
147.07988	1.7
148.05193	1.1
149.02318	2.4
149.06000	7.1
150.03136	2.8
150.06746	7.6
151.00241	1.9
151.03874	1.8
152.01082	1.9
160.03940	3.2
161.02350	2.2
161.04462	1.7
161.05904	1.2
162.06754	1.2
163.03923	10.4
163.07501	3.1
164.04681	3.0
164.06963	0.9
164.08321	4.2
165.01779	1.8
165.05475	1.7
165.09113	29.2
166.09396	1.2
167.03426	1.4
172.22623	0.9
174.11551	1.0
175.00261	1.5
175.03897	2.7
175.11189	1.4
177.01920	1.2
179.07100	1.0
179.10678	1.4
188.07074	3.9
190.02612	4.1
191.03432	1.5
195.06558	1.3
195.13794	2.7
205.05017	4.8
223.05992	3.0
241.14380	3.8
252.09630	1.0
263.09360	1.4
265.09308	1.8
269.04483	3.2
271.06064	1.9
277.15707	0.9
285.04166	1.1
289.14438	7.5
307.15237	1.0
315.06857	1.4
345.22787	5.6
349.16507	1.9
433.18710	5.0
465.32147	10.3
492.30746	2.0
493.31570	1.2
510.32050	2.4
511.32788	20.9
512.32941	3.1
563.24536	1.7
597.23401	13.1
598.23590	2.9
673.37604	1.3
697.34637	9.2
715.39099	100.0
716.39410	20.7
759.30066	5.7
760.28772	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	759.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04600	0.9
57.03320	8.5
57.31784	0.9
58.00459	1.5
59.01252	32.9
61.61971	0.8
61.98701	6.0
69.03305	1.4
71.01252	41.6
71.53298	1.5
72.99165	1.9
73.02805	4.7
75.00745	1.3
80.61149	0.9
83.01255	4.6
85.02823	24.0
87.00745	1.4
88.98656	1.0
89.02310	19.0
93.03333	9.1
95.01222	2.3
95.04884	3.1
96.95882	1.6
97.02821	1.4
99.00702	1.3
99.04388	1.7
101.02318	16.6
103.03889	55.7
106.04129	13.4
107.01263	0.9
107.04877	3.6
108.02026	3.7
109.02824	2.2
111.00722	2.2
113.02332	10.4
119.03390	6.9
119.04873	7.1
121.02837	4.6
123.00786	1.5
123.04322	1.3
125.02297	4.6
134.03603	1.9
135.04390	1.7
136.05138	3.2
137.02330	5.5
137.05971	1.2
138.03056	3.2
143.03380	2.1
145.04990	2.3
145.06458	0.9
146.02417	8.1
147.08066	1.5
149.02277	3.7
149.05925	1.9
150.03041	3.3
150.06702	1.4
152.01018	4.4
157.05014	4.6
159.08038	1.9
160.03954	15.4
161.02315	1.9
161.04503	6.9
162.03072	0.9
163.03905	4.0
164.03386	1.9
164.04686	1.8
164.07013	1.4
165.05534	1.1
165.09070	2.9
167.03305	1.3
173.09572	1.1
175.00258	1.4
175.03915	2.4
175.11208	45.1
176.11487	3.6
177.05469	1.1
179.03368	1.6
179.05531	1.9
179.07036	1.1
179.10727	1.1
183.07993	2.0
185.05981	1.4
190.02594	2.7
199.11176	1.0
201.09138	20.6
203.03424	5.9
203.07050	2.2
205.04974	1.9
205.08646	1.7
206.08209	2.3
219.10229	21.9
223.06023	2.4
231.09953	1.1
241.14369	4.4
243.10100	2.0
245.08157	35.4
246.08392	2.9
247.08061	7.3
261.11288	4.0
263.09204	5.4
265.09274	84.7
266.09537	2.7
269.04526	2.5
287.09125	3.7
289.14359	1.5
305.10321	8.4
306.10974	1.1
331.15387	1.1
347.11230	3.3
349.16510	1.5
350.61188	1.0
365.12402	2.1
406.19827	1.1
407.13174	2.2
433.18466	1.8
467.19016	2.9
493.16992	12.6
494.17200	1.8
511.18005	13.5
511.33066	1.2
512.18164	1.2
553.19421	3.6
563.25098	2.3
583.20111	2.1
597.24335	4.0
598.22760	2.9
613.21814	5.7
673.23267	11.5
674.23706	2.1
715.28162	1.4
715.39209	7.7
759.27130	100.0
760.27527	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.1
61.98700	100.0
62.98412	0.2
71.01248	0.7
71.52418	0.3
73.02783	0.2
91.05405	0.2
96.95910	0.5
101.02338	0.4
103.45568	0.2
106.45937	0.2
111.83395	0.2
113.02316	0.3
117.75169	0.2
119.04964	0.2
121.72199	0.2
134.68327	0.2
171.10179	0.3
173.06111	0.2
175.03893	0.3
185.35977	0.2
209.11852	0.7
211.13428	0.4
228.07478	0.3
245.08214	0.4
246.08701	0.3
247.08788	0.2
269.04251	0.2
279.78479	0.2
559.18030	0.3
758.39984	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55224	0.1
59.01238	1.2
61.98701	100.0
62.98412	0.2
63.76974	0.1
69.22954	1.5
71.01262	0.2
78.45227	0.1
89.02305	0.1
96.95908	0.2
101.05972	0.7
116.92744	0.2
122.81033	0.1
147.04550	0.2
147.45100	0.1
175.03957	0.6
176.04259	0.2
177.04466	0.1
185.11726	0.2
185.48196	0.2
197.11819	0.5
198.70491	0.1
209.11845	0.4
245.08353	0.2
253.09282	0.3
263.09363	0.2
264.09662	0.4
268.37253	0.1
341.23279	0.3
451.18747	0.2
555.26178	0.4
594.24658	0.2
595.24792	0.5
596.25214	0.4
608.00360	0.1
625.86066	0.2
714.35504	0.2
742.75012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.8
61.98700	100.0
71.01262	0.6
71.52330	0.2
71.52716	0.3
73.02820	0.3
85.02841	0.3
87.00776	0.3
96.95922	0.5
113.02333	0.3
122.28559	0.2
161.04486	0.2
171.10210	0.2
174.19801	0.2
175.03984	0.4
176.04399	0.2
190.99899	0.2
209.11832	0.7
210.11864	0.3
211.13380	0.6
218.65869	0.2
227.07196	0.4
236.75793	0.2
241.12184	0.2
245.08157	0.5
246.08510	0.4
253.09169	0.3
263.09174	0.4
264.09537	0.3
717.78400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	8.2
61.98700	22.3
62.47106	1.3
64.10244	1.3
71.01251	83.9
76.09938	1.6
76.18793	1.4
77.12125	1.5
87.00755	1.6
89.02338	1.9
98.19778	3.5
101.02313	3.3
109.06486	2.9
113.02371	1.8
114.12628	1.4
121.02831	4.9
125.09595	2.4
127.11084	1.3
129.47931	1.3
139.03778	1.4
145.04977	1.6
150.54874	1.3
171.10172	51.0
199.09743	5.2
201.11276	5.8
207.10191	6.3
225.11295	7.4
235.08217	3.7
253.09291	9.4
260.53445	1.6
277.21713	100.0
278.22122	7.7
721.41626	4.5
757.43793	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	757.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87879	1.0
57.03302	1.3
57.36675	1.4
59.01253	15.0
61.98709	11.6
64.91264	1.1
71.01241	4.7
71.52625	1.8
78.95750	2.0
82.80613	0.9
83.01241	1.7
86.49441	1.1
89.02309	2.1
97.06517	1.2
101.02315	3.1
113.02337	1.5
123.04421	1.3
125.09624	2.2
137.09579	1.3
152.99498	2.1
153.09187	1.3
163.11218	1.2
171.10173	100.0
172.10486	3.4
181.12233	1.3
185.11745	1.5
191.14252	1.8
203.85452	1.2
207.10217	1.3
209.11795	8.5
211.13335	1.5
225.11195	2.1
227.12854	1.3
235.08163	3.0
245.19011	4.2
253.09285	7.3
263.20096	2.0
289.18100	29.6
290.18393	3.4
307.19156	29.5
308.19330	2.4
407.19006	2.4
411.21158	1.1
446.05661	1.3
453.83041	1.2
543.28387	1.6
757.32703	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	757.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	13.2
60.88694	1.1
61.98695	14.8
62.77795	1.3
71.01251	100.0
78.95784	1.7
85.01897	1.3
87.00745	1.7
87.12069	1.1
89.02317	3.0
98.19707	1.0
98.20188	12.5
99.00755	2.0
101.02321	3.0
101.92210	1.2
104.87210	1.2
109.06472	4.0
113.02314	2.2
114.93283	12.7
115.00256	4.8
115.03791	1.3
125.09626	1.4
161.04468	1.8
163.11189	1.4
171.10170	75.3
172.10585	2.9
181.12215	2.3
197.11618	1.4
199.09694	7.2
199.13347	1.2
201.11238	12.0
207.10188	13.4
225.11208	9.2
230.26494	1.3
230.28519	1.7
235.08151	4.3
243.12254	1.4
253.09204	10.8
277.21698	81.6
278.21960	8.5
312.93796	1.2
399.37549	1.5
435.18515	1.6
461.20166	2.6
617.34021	1.3
721.41473	2.7
757.43915	10.8
758.43927	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01058	0.4
57.03307	1.3
59.01006	0.6
59.01252	7.4
61.98690	2.0
69.17349	3.3
69.17756	1.3
70.88156	0.4
71.01252	5.1
73.02819	1.7
79.95584	0.5
83.01246	0.8
83.04864	0.7
85.02829	2.5
87.00726	1.2
88.98657	0.9
89.02312	2.0
93.03309	1.3
95.04852	0.6
96.95932	0.4
97.06457	1.1
97.93869	0.4
99.00723	0.4
99.04362	1.4
101.02312	2.3
103.03860	1.3
107.04910	0.6
108.02061	1.0
109.02853	0.4
109.62585	0.4
111.04372	1.0
111.08044	0.6
111.93488	0.4
113.02295	1.6
113.09621	0.5
116.92715	1.2
119.03354	1.2
119.04899	0.8
121.02868	0.6
121.06445	1.3
122.03598	1.0
123.04385	0.9
123.08021	2.3
125.02345	0.6
134.03601	0.5
135.04375	1.1
136.05193	34.9
137.02301	1.0
137.05898	1.0
137.09592	0.6
138.03177	0.4
141.09103	0.6
147.08044	1.0
148.05183	0.9
149.02298	1.2
149.05980	6.0
150.03122	0.7
150.06766	4.4
151.07535	0.5
152.00981	0.6
153.09044	0.5
155.10739	0.7
157.08595	0.8
160.03952	0.7
161.04443	0.8
162.06705	1.0
163.03851	0.8
163.07533	2.0
164.04550	0.5
164.08307	3.7
165.09116	28.9
166.09435	1.6
175.03876	0.8
179.10742	0.6
181.04941	0.5
187.09593	0.7
190.02570	1.0
192.54398	0.5
195.06522	0.5
195.13766	0.6
205.05058	1.0
207.10132	0.6
223.06075	1.0
229.10857	2.0
239.12743	0.6
261.18457	0.5
265.09329	0.7
269.04401	0.6
278.19022	0.7
285.04193	0.5
288.17239	0.7
297.42786	0.4
303.19678	0.5
306.18289	1.5
321.20663	3.7
343.21207	5.8
350.21063	4.3
353.10245	0.6
427.28497	2.6
445.29419	2.2
462.29703	0.9
463.30606	6.7
464.31006	1.0
490.29251	0.7
491.29956	1.8
508.29962	2.6
509.31088	19.4
510.31476	3.5
653.34637	0.9
671.36572	1.4
713.37469	100.0
714.37848	19.8
739.30280	0.6
757.34058	2.1
758.33276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
58.60698	0.5
59.01250	3.8
61.98698	1.7
69.27589	4.0
71.01250	1.3
73.02805	0.7
85.02821	1.1
87.00738	0.7
88.01768	0.4
88.30363	0.4
99.04375	0.8
101.02296	0.5
111.08042	0.6
113.02334	0.5
113.05924	0.4
127.11164	0.7
135.04449	0.4
136.05154	0.5
137.05927	0.5
137.09558	0.6
149.05975	5.3
150.06761	41.3
151.00130	0.5
151.07256	1.8
155.10689	0.7
161.09590	0.9
162.06786	0.7
162.32074	0.4
163.07556	11.2
164.08353	6.4
165.08946	0.4
171.10194	0.4
176.08331	1.7
177.09045	0.8
178.09926	4.5
179.10684	10.9
180.10988	0.6
205.54993	0.4
221.12277	0.4
223.06256	0.5
245.08142	1.3
265.21799	0.9
269.04553	0.5
327.25400	1.7
329.23343	4.9
330.23621	0.6
430.30859	1.0
432.32336	0.5
445.33298	0.8
446.33926	0.6
448.31888	8.4
449.32135	1.4
462.33405	1.7
463.34247	9.7
464.34653	1.8
490.32980	2.7
491.33676	2.6
508.33963	2.8
509.34808	20.7
510.35132	2.5
671.39905	1.4
713.41125	100.0
714.41467	21.1
714.54309	0.9
727.40631	0.6
757.44250	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.7
58.16369	0.4
59.01247	9.5
61.98690	1.8
71.01253	4.6
72.99166	0.7
73.02816	1.4
75.39122	0.4
80.96357	0.5
83.01256	1.1
85.02801	3.0
87.00755	1.7
88.61049	0.5
88.98707	0.5
89.02324	1.6
93.03334	1.3
95.01250	0.5
95.04857	0.6
96.95888	0.9
97.02814	0.5
97.06470	1.4
98.20567	1.4
99.04378	1.1
101.02297	3.2
102.02662	0.6
102.29723	0.5
103.03887	1.4
107.04923	0.6
108.02036	1.7
109.02824	1.1
109.06490	0.7
111.04404	1.3
111.08028	0.9
113.02321	1.5
119.03411	0.7
119.04909	2.0
121.02821	1.9
121.06487	0.8
122.03616	1.1
123.08025	1.9
125.02295	1.1
127.11093	0.4
129.58470	0.5
133.06483	0.4
135.04382	1.3
136.05191	29.7
137.02315	1.4
137.05852	1.0
137.09612	0.6
138.36807	0.4
147.08055	1.2
148.05159	1.1
149.02310	1.3
149.05968	5.8
150.03111	0.6
150.06786	2.8
151.00256	1.0
152.01012	1.3
153.01839	0.9
157.08655	0.6
160.03896	1.0
161.02299	0.6
161.04503	0.7
162.06741	1.4
163.03867	0.8
163.07532	1.8
164.04663	1.0
164.08360	3.1
165.01828	1.2
165.05475	0.9
165.09114	23.7
165.68805	0.4
166.09499	0.7
175.00287	0.5
175.03937	1.1
179.07115	0.8
181.04906	0.6
190.02647	1.8
191.03426	0.5
195.06529	0.9
195.13844	0.9
200.45183	0.5
205.04993	1.4
206.05524	0.4
223.05960	0.8
229.10770	1.1
239.12909	1.4
241.14281	0.9
245.04536	0.8
265.09259	1.1
269.04398	0.9
271.06003	0.6
285.03891	0.7
285.07590	0.7
299.18558	0.5
306.18460	1.5
315.07263	0.9
321.20633	3.6
329.19357	0.5
343.21164	5.4
350.20984	3.9
367.10101	0.7
427.28384	2.9
445.29544	1.8
447.08862	0.5
448.28183	0.7
458.64859	0.5
463.30652	5.8
464.30948	0.9
491.30057	3.1
508.30136	2.3
509.31152	19.9
510.31473	2.6
607.63531	0.4
652.40161	0.6
653.38672	2.0
671.36957	1.6
713.37500	100.0
714.37878	20.2
757.35071	2.9
758.34570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01058	0.4
57.03307	1.3
59.01006	0.6
59.01252	7.4
61.98690	2.0
69.17349	3.3
69.17756	1.3
70.88156	0.4
71.01252	5.1
73.02819	1.7
79.95584	0.5
83.01246	0.8
83.04864	0.7
85.02829	2.5
87.00726	1.2
88.98657	0.9
89.02312	2.0
93.03309	1.3
95.04852	0.6
96.95932	0.4
97.06457	1.1
97.93869	0.4
99.00723	0.4
99.04362	1.4
101.02312	2.3
103.03860	1.3
107.04910	0.6
108.02061	1.0
109.02853	0.4
109.62585	0.4
111.04372	1.0
111.08044	0.6
111.93488	0.4
113.02295	1.6
113.09621	0.5
116.92715	1.2
119.03354	1.2
119.04899	0.8
121.02868	0.6
121.06445	1.3
122.03598	1.0
123.04385	0.9
123.08021	2.3
125.02345	0.6
134.03601	0.5
135.04375	1.1
136.05193	34.9
137.02301	1.0
137.05898	1.0
137.09592	0.6
138.03177	0.4
141.09103	0.6
147.08044	1.0
148.05183	0.9
149.02298	1.2
149.05980	6.0
150.03122	0.7
150.06766	4.4
151.07535	0.5
152.00981	0.6
153.09044	0.5
155.10739	0.7
157.08595	0.8
160.03952	0.7
161.04443	0.8
162.06705	1.0
163.03851	0.8
163.07533	2.0
164.04550	0.5
164.08307	3.7
165.09116	28.9
166.09435	1.6
175.03876	0.8
179.10742	0.6
181.04941	0.5
187.09593	0.7
190.02570	1.0
192.54398	0.5
195.06522	0.5
195.13766	0.6
205.05058	1.0
207.10132	0.6
223.06075	1.0
229.10857	2.0
239.12743	0.6
261.18457	0.5
265.09329	0.7
269.04401	0.6
278.19022	0.7
285.04193	0.5
288.17239	0.7
297.42786	0.4
303.19678	0.5
306.18289	1.5
321.20663	3.7
343.21207	5.8
350.21063	4.3
353.10245	0.6
427.28497	2.6
445.29419	2.2
462.29703	0.9
463.30606	6.7
464.31006	1.0
490.29251	0.7
491.29956	1.8
508.29962	2.6
509.31088	19.4
510.31476	3.5
653.34637	0.9
671.36572	1.4
713.37469	100.0
714.37848	19.8
739.30280	0.6
757.34058	2.1
758.33276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4106
Annotation	Nostocyclopeptide A1
Peak:m/z	Relative Intensity
57.03314	0.9
58.02842	0.8
59.01248	18.7
61.98697	9.3
65.00171	0.8
66.22803	0.7
71.01246	6.9
71.02363	0.9
73.02827	3.8
73.03947	7.0
75.00764	1.0
75.90223	0.7
79.95596	1.0
80.96375	1.1
82.02852	3.9
82.06491	1.0
83.01271	2.3
83.04901	0.9
85.02824	4.1
85.03944	1.4
87.00728	1.2
87.05495	1.3
89.02307	2.4
91.71839	0.7
93.03326	2.4
94.06505	0.9
95.01273	1.2
96.95889	1.4
97.03935	1.8
98.88313	0.7
99.01865	2.1
99.05538	1.4
101.02311	3.9
107.01242	1.5
107.04881	1.1
108.02045	2.6
108.03178	1.4
109.02850	1.6
109.03955	2.1
111.01889	1.4
111.05492	1.2
112.93636	1.0
113.02326	2.0
113.03474	1.9
113.07093	15.0
116.04955	2.7
119.04882	2.3
121.02802	1.4
125.02340	1.6
125.03407	1.0
126.01860	3.9
126.06608	1.3
126.09150	1.0
127.05025	14.5
129.10243	3.6
130.08636	1.7
133.02835	2.1
135.04417	3.3
137.02328	3.0
139.05002	1.2
139.08641	2.4
140.07051	4.9
141.10094	1.2
144.07683	2.4
145.64944	0.7
146.06001	12.1
150.03125	0.8
151.00299	2.3
151.08656	6.7
152.01114	1.7
153.10220	2.0
155.08162	2.2
155.11777	2.6
158.06055	1.7
160.07645	1.0
161.02351	5.6
161.04553	0.8
163.73546	0.8
164.00940	1.1
165.05244	0.9
165.10205	1.2
166.06233	1.1
166.08566	1.5
168.11354	2.4
169.09767	6.2
172.07614	0.8
175.07574	1.1
177.09143	1.3
179.03452	1.0
179.11865	1.9
181.09714	1.6
182.12859	2.0
183.11363	4.0
184.07231	0.8
186.05527	3.4
186.09164	1.3
186.12393	21.7
190.02567	1.1
194.09277	0.8
196.10867	3.8
196.14435	3.5
198.12349	0.9
199.12352	1.6
200.14000	2.2
203.08206	6.9
205.13565	0.7
208.14537	1.2
209.12936	1.4
212.10387	6.3
212.13936	2.2
213.10371	2.6
215.11789	1.0
220.61803	0.8
222.12343	3.7
223.06071	1.2
223.10724	1.4
225.13403	1.8
226.15485	1.2
229.09685	1.2
229.40112	1.1
239.15111	2.8
240.13461	1.2
243.11374	5.3
243.14667	2.1
255.14607	1.2
256.10876	2.8
257.09247	5.8
257.16147	2.7
260.14001	4.1
269.04550	3.2
269.16687	0.9
270.05176	0.9
271.06134	0.9
274.11948	2.9
279.14645	1.1
279.18091	0.9
285.04425	1.4
285.07611	8.6
286.07919	0.9
296.17377	1.1
297.15616	1.9
298.15652	1.2
309.22873	1.1
314.18408	3.6
317.16275	1.1
336.20465	0.9
337.11661	1.0
367.10309	0.8
373.18756	1.9
388.20135	1.3
444.22446	2.8
467.30075	0.8
513.28363	1.6
515.24835	0.8
558.30450	20.5
559.30585	3.0
577.15546	1.7
579.17096	0.9
588.31714	4.0
593.18530	4.2
594.18921	1.3
651.39490	1.5
660.59174	1.0
711.39752	8.6
712.39447	1.5
725.39874	100.0
726.40179	23.3
737.40271	5.2
738.39856	1.7
755.21301	2.8
755.41797	15.7
756.21466	1.5
756.41669	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	755.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58604	0.4
57.03318	1.4
59.01249	6.6
61.98701	3.4
69.26546	2.4
69.26975	1.4
71.01259	2.1
73.02822	1.3
73.60796	0.4
79.69927	0.3
79.95625	0.4
80.96390	0.6
81.31025	0.3
83.01254	0.6
85.02825	1.6
87.00732	0.7
89.02320	0.8
97.02854	0.5
98.19826	0.7
99.04388	1.2
101.02303	0.9
111.08054	0.5
113.02303	0.6
113.05980	0.7
113.66100	0.4
122.03728	0.3
125.02364	0.5
125.09633	0.5
135.08064	0.7
136.05206	0.5
137.05952	0.6
148.05222	0.5
149.02242	0.5
149.05969	7.1
149.07051	0.6
150.06760	53.0
151.07225	1.6
153.09109	0.8
155.10646	0.4
157.08633	0.8
161.09624	0.8
162.06790	1.5
163.07536	11.2
164.08342	6.7
165.08989	0.4
169.12141	0.5
171.10191	0.7
176.08336	2.4
177.09161	0.9
178.09897	3.7
179.10690	14.7
193.08507	0.5
241.14421	0.6
263.20145	0.8
268.03745	0.8
279.23245	0.5
279.93594	0.4
281.21359	0.8
283.06085	0.9
283.19064	0.8
325.23761	1.6
327.21738	5.4
428.29126	1.3
443.31628	0.6
444.32370	0.6
445.33127	0.5
446.30295	10.3
447.30618	1.4
460.31943	2.9
461.26627	0.8
461.32678	10.1
462.33191	1.9
488.31445	2.2
489.32007	2.4
491.33731	0.5
506.32327	2.6
507.33194	23.4
508.33600	3.7
619.59662	0.4
651.37805	0.4
669.38385	1.4
711.39557	100.0
712.39838	16.6
712.52338	0.8
755.33521	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68355	1.0
57.02579	0.9
57.03314	1.3
59.01248	47.0
59.39859	0.9
61.98703	74.1
63.99120	1.1
69.03312	1.1
71.01250	7.9
71.52598	1.3
72.99167	1.0
73.02808	2.6
79.95587	3.8
80.02564	1.6
80.96399	3.5
81.03320	2.3
82.95265	1.1
83.01243	1.1
83.04892	4.1
85.02837	2.4
85.57095	0.9
87.00760	1.4
87.04395	4.2
89.02312	1.9
96.95892	4.7
97.02858	1.2
99.34267	0.9
99.92463	1.7
101.02319	5.4
111.08022	2.4
113.02332	3.6
116.92752	10.5
117.01837	0.9
119.04921	1.0
121.02808	1.3
135.08052	1.0
145.02835	1.6
147.04431	1.6
161.04457	2.0
162.06717	1.2
163.11134	3.4
164.98492	1.3
165.12773	3.1
169.12195	2.1
171.10123	2.2
174.03061	3.4
175.03897	11.2
175.07545	1.1
176.04190	1.2
179.05461	1.1
183.08002	2.0
187.03923	11.6
187.07542	1.4
188.04480	1.1
197.11761	18.4
199.07541	1.2
199.13341	2.2
201.05521	10.8
202.05809	1.3
203.10640	1.3
206.02100	1.9
209.11772	100.0
210.12134	4.6
211.13321	4.8
225.00612	2.0
227.07079	21.0
227.12846	14.3
228.07434	1.6
229.05019	1.3
233.11833	1.9
235.08147	3.0
245.08153	79.3
246.08575	5.4
253.09274	13.6
291.19656	13.2
303.75153	1.3
309.20718	31.3
310.20932	2.4
347.15268	1.4
365.15707	1.3
507.33618	1.7
511.18170	1.8
593.23901	57.1
594.24231	12.9
665.28180	1.4
696.98761	1.1
711.42603	4.6
755.30786	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	755.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.4
59.01247	48.0
61.98699	85.2
63.99110	1.2
66.46177	0.9
67.89619	1.1
69.03310	1.6
69.37168	8.5
69.56896	0.9
71.01255	6.4
71.04842	1.0
72.99166	1.0
73.02804	2.2
79.95600	4.5
80.02538	1.3
80.91562	1.0
80.96375	5.6
83.04891	6.3
84.02040	1.1
85.02827	2.4
87.00727	1.5
87.04364	4.8
89.02312	2.5
93.03265	1.0
94.97957	1.8
96.95885	5.1
97.02827	1.4
97.28318	0.9
98.19862	2.2
99.92472	1.3
101.02315	6.0
101.05920	1.1
111.08011	4.0
113.02306	2.6
116.92741	12.7
118.92495	0.9
119.03431	1.3
121.02788	1.9
123.04384	1.2
125.06001	1.3
125.09544	1.0
127.48109	0.9
161.04445	1.9
162.06725	2.6
163.07590	1.5
163.11171	3.5
165.12750	2.7
169.12218	1.6
171.10161	3.6
173.05991	1.6
174.03137	3.9
175.03911	12.5
175.07385	1.4
177.09105	1.1
183.08066	2.0
183.13734	1.2
187.03920	13.1
187.07506	1.9
197.11772	19.8
199.07578	1.9
199.13326	1.7
201.05487	9.0
206.02109	3.3
209.11763	100.0
210.12115	5.1
211.13388	4.7
225.00655	1.1
227.07074	22.8
227.10699	1.6
227.12811	14.3
228.07449	2.3
228.13232	1.1
229.08620	1.1
233.11845	1.1
235.08125	2.9
245.08153	76.8
246.08485	6.1
253.09232	12.4
291.19748	9.4
300.51608	1.1
309.20673	32.3
310.20975	3.2
327.21677	1.1
347.14938	1.1
365.16083	1.2
471.15652	1.1
507.33377	1.3
511.18051	2.1
593.23840	65.0
594.24243	12.2
635.40985	1.2
711.40717	5.7
755.42743	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	755.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
60.01571	0.7
61.98701	18.8
64.50912	0.6
70.99410	0.5
71.01250	2.6
71.52477	0.9
73.02836	1.8
79.95626	0.9
80.96382	1.6
82.62212	0.5
83.01235	0.7
83.04905	1.4
85.02823	1.4
87.00750	0.6
87.04362	0.6
88.98701	0.9
89.02342	0.7
96.95875	1.8
101.02327	1.5
101.05958	3.3
108.02014	0.7
113.02331	0.8
119.07018	4.7
121.02865	1.1
123.72627	0.6
138.99226	0.5
147.04424	1.4
152.00995	0.9
161.04523	0.7
163.11113	1.1
171.10167	0.7
174.03142	6.8
175.03912	38.5
176.04257	2.0
183.08035	3.1
187.03914	4.8
190.95604	0.7
197.11748	1.9
199.07568	1.5
201.05502	1.0
201.09111	1.4
206.02075	3.4
209.11765	15.6
210.12112	0.8
211.40259	0.6
212.04709	0.7
227.07076	51.8
227.12856	2.0
228.07433	4.2
229.08575	1.3
235.08176	0.9
245.08144	94.2
246.08563	6.3
253.09151	2.1
263.09216	40.0
264.09576	2.6
291.19653	2.5
309.20700	5.4
347.14948	15.2
348.15167	1.5
456.06671	0.6
505.18713	1.8
575.22845	1.9
593.23877	30.1
594.24451	5.9
611.23767	1.0
635.41589	1.0
695.30811	1.7
695.43250	0.9
711.42218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92623	0.5
59.01250	52.9
61.98698	7.0
69.93027	1.7
71.01250	2.8
73.02805	0.9
78.95757	0.9
80.96384	1.1
81.03352	1.3
83.01242	0.5
83.04897	1.4
85.02804	1.0
89.02312	1.5
91.05423	1.0
96.95859	1.3
97.02757	0.6
97.34745	0.6
101.02313	1.5
109.02853	1.1
116.35827	0.6
135.04378	1.6
137.05946	1.6
147.04417	9.9
159.04417	2.1
161.02364	0.6
161.04544	0.6
161.05933	0.8
163.11179	2.0
171.10173	2.0
174.03108	1.4
175.03914	62.9
176.04247	2.9
187.03925	2.0
189.09106	0.6
195.13846	0.9
197.11777	3.9
199.07529	1.4
199.13298	1.0
201.05492	1.8
201.09142	1.4
203.03487	1.5
209.11769	32.5
210.12102	2.6
211.13322	1.6
217.08684	1.7
227.07074	3.0
227.12825	8.7
235.07999	1.3
245.08116	14.5
246.08470	0.9
253.09302	4.0
263.09219	56.2
264.09668	5.2
291.19681	4.7
293.21115	0.7
309.20697	15.0
310.20938	0.9
325.95721	0.6
374.28833	0.6
505.18781	1.2
517.18884	0.9
593.23907	100.0
594.24207	16.9
711.43433	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	755.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.6
59.01249	100.0
60.01582	1.2
61.98705	5.4
67.07413	0.4
69.03306	0.5
70.04909	1.5
71.01247	2.1
71.04890	0.7
71.91054	0.4
75.00741	0.7
78.95778	1.1
79.14741	0.4
79.95620	0.6
80.02549	0.6
80.96399	0.5
81.03344	0.6
83.04897	5.8
84.05220	0.4
85.02843	0.6
87.04388	13.9
89.02335	1.4
96.95906	3.1
97.02827	0.6
98.19822	0.5
101.02345	1.1
101.05952	3.6
102.72108	0.3
109.06448	0.5
110.76605	0.4
111.08038	1.6
113.02328	1.0
119.03425	0.4
131.04906	0.6
142.62248	0.4
147.04425	1.1
149.76028	0.4
161.04539	0.5
163.11238	1.5
165.12772	0.9
169.12317	0.9
171.10239	2.1
175.03925	42.3
176.04256	2.2
181.12303	0.6
187.03970	1.6
192.40366	0.4
197.11780	10.0
201.05586	1.1
206.02220	0.5
207.10361	0.4
209.11766	40.9
210.12196	1.6
211.13319	2.1
225.11304	0.5
227.07080	3.0
227.12851	5.7
235.08247	1.5
241.01163	0.7
245.08139	22.5
246.08609	1.7
253.09232	5.5
263.09225	20.2
263.12085	0.8
263.20169	0.5
264.09653	1.3
273.18591	0.7
291.19614	6.1
293.21161	0.4
309.20718	15.0
310.21252	1.4
347.14890	2.4
361.16321	0.5
393.56360	0.4
446.99481	0.4
449.22275	0.6
502.32318	0.5
569.33344	0.5
695.30878	1.1
737.32324	0.5
755.32770	0.5
782.26080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	79.9
60.01591	0.8
61.98701	15.5
69.94003	3.2
71.01254	2.7
72.27027	0.6
73.02842	0.8
75.00724	0.6
79.95588	1.1
80.96398	3.4
81.03310	0.7
83.04913	1.5
85.02827	0.9
87.04385	0.7
89.02306	1.2
91.19826	0.6
95.46885	0.7
96.00753	0.6
96.95879	1.3
97.06496	0.6
101.02302	1.4
113.02360	1.2
118.45767	0.6
137.05907	1.1
139.07030	0.7
145.81967	0.7
147.04434	3.1
159.04521	0.8
165.12718	1.7
171.10191	2.2
172.43224	0.7
174.03113	3.8
175.03918	72.6
176.04279	4.1
187.04019	0.9
191.28806	0.6
197.11694	1.6
197.15425	1.1
199.13345	1.6
201.09216	0.8
202.76848	0.7
206.02147	2.3
209.11760	19.7
210.12082	1.6
211.13364	6.5
225.11331	1.0
227.07040	6.6
227.12877	7.3
235.08209	1.1
241.14377	0.9
245.08150	55.0
246.08470	4.3
253.09187	3.2
263.09225	76.8
264.09604	4.5
269.39972	0.7
291.19617	5.1
309.20670	5.8
310.20908	0.9
365.16348	0.9
453.01910	0.8
505.18344	1.1
508.18796	0.8
593.23901	100.0
594.24255	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44443	0.5
59.01249	100.0
60.01579	1.2
69.03322	2.7
69.16557	5.8
71.01253	14.1
73.02826	3.1
83.01278	1.8
85.02842	2.1
86.66518	0.5
89.02315	0.6
93.03354	0.7
97.02822	7.8
98.19825	0.9
99.00766	0.8
101.02326	3.1
107.01285	0.8
113.02344	1.3
115.03905	2.9
117.03310	0.5
117.85437	0.6
125.02349	0.8
129.05486	1.1
143.03346	0.9
151.00290	2.2
161.04515	1.2
172.47227	0.5
183.04474	1.6
203.05536	13.2
209.84267	0.5
211.04005	0.9
227.03473	4.1
241.07147	0.8
250.93039	0.5
255.02960	19.0
256.03458	2.2
259.08255	4.9
269.04483	0.8
283.02469	25.0
284.03229	10.3
285.04041	33.0
286.04294	2.8
301.09344	4.9
327.05072	1.2
353.06741	1.1
447.09244	4.6
455.56906	0.5
473.11523	0.6
542.29071	0.6
592.14392	0.8
593.15088	30.6
594.15448	4.2
608.10175	0.6
635.15912	0.7
677.30835	0.5
708.98077	0.6
755.20319	11.0
756.21417	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	755.22
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	2.5
59.01249	35.7
60.99208	0.8
61.98696	16.7
63.02241	3.5
64.99859	1.1
65.00194	22.9
69.03316	1.3
69.20095	9.1
71.01247	14.0
72.99166	2.1
73.02814	4.9
75.00716	1.1
78.70667	0.8
79.95587	1.1
80.96348	0.9
83.01254	14.1
85.02824	7.5
87.00734	1.3
88.98694	4.3
89.02293	3.8
89.38433	0.9
93.03325	7.5
95.01251	1.9
96.95873	2.0
97.02779	1.8
97.06448	1.0
99.00752	1.0
101.02323	7.9
103.03865	1.7
107.01264	28.8
107.04906	1.2
108.02077	4.1
109.02792	1.9
109.06432	1.0
111.00743	1.7
112.93555	1.8
113.02316	5.4
113.07065	1.2
117.03339	5.6
119.03388	1.7
119.04915	44.4
120.05220	1.5
121.02805	3.6
123.04375	1.1
125.02330	10.0
131.01274	0.8
132.02029	3.5
133.02831	2.1
134.02679	1.8
134.03625	27.3
135.04349	2.0
137.02286	3.2
137.05898	1.0
139.00218	1.3
140.51685	0.9
143.03363	1.6
143.04915	1.3
145.02855	16.5
146.03194	1.1
147.04326	1.5
149.02281	2.3
149.05930	3.4
150.03085	0.9
150.06706	1.5
150.84135	0.8
151.00269	100.0
152.00761	3.7
153.01843	0.8
159.03004	0.9
159.04269	1.0
160.01570	17.6
160.03899	1.1
160.28467	0.8
161.02332	4.0
161.04391	2.0
161.05981	1.4
163.03841	2.4
164.04715	1.3
165.01825	5.4
169.01302	2.3
175.00227	3.1
175.03920	28.9
177.01826	8.8
177.05357	0.9
178.02512	2.2
179.03418	1.8
179.06976	0.9
185.05937	2.9
187.03873	2.5
188.04530	0.9
190.02577	1.7
193.01241	2.7
193.04976	17.3
195.13712	1.4
196.00076	1.1
205.04945	1.8
209.11678	1.1
223.05878	1.3
227.07085	3.1
229.05064	1.0
235.02390	1.9
239.12817	1.9
241.14307	1.2
257.08133	2.1
265.09286	1.0
267.26279	0.9
269.04706	5.0
270.04840	1.0
271.06116	63.0
272.06430	5.6
285.04001	3.6
285.07565	3.0
313.07098	2.6
315.07141	1.8
339.06979	2.7
381.11917	1.3
383.05768	1.1
415.10446	1.2
415.22729	1.2
441.10007	1.1
459.11279	3.4
462.27844	0.9
561.15997	9.9
562.16455	1.3
579.17139	37.2
580.17236	3.8
591.16815	3.9
609.18060	5.3
610.18884	1.2
635.16132	6.8
651.39709	2.8
669.39996	1.2
695.41510	1.2
710.38800	2.2
711.39557	8.9
725.39539	5.7
755.21564	49.3
755.32428	3.0
756.21600	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	755.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.6
57.03320	2.0
58.00451	0.4
59.01251	12.1
61.98702	8.9
63.02270	3.7
65.00195	19.9
68.99680	0.4
71.01252	8.3
72.99174	1.0
73.02811	2.9
75.00754	0.6
81.03329	0.8
83.01256	9.3
83.04889	0.4
85.02818	5.0
87.00768	1.3
88.98692	0.5
89.02322	3.2
89.03824	0.9
91.01781	0.5
93.03336	8.2
95.01274	0.9
97.02817	1.1
99.00780	0.7
101.02325	5.3
103.03883	1.3
107.01270	28.4
107.04943	0.4
108.02110	1.1
109.02854	0.7
111.00766	1.1
113.02333	3.6
117.03339	6.5
117.04089	0.6
118.03686	0.4
118.98020	0.5
119.04916	45.8
120.05267	1.7
121.02833	1.6
123.00645	0.4
123.04386	0.8
124.01577	0.6
125.02332	9.1
126.23455	0.4
131.01274	0.6
132.02078	4.3
133.02840	1.6
134.03627	27.9
135.04501	2.3
136.01489	0.7
137.02344	2.0
139.03873	0.7
143.03401	0.9
143.04929	0.9
145.02850	16.0
146.03241	0.8
147.04431	0.4
147.08034	0.6
149.02356	2.8
149.05962	3.6
149.99582	0.7
150.03070	0.6
151.00270	100.0
152.00587	3.7
153.01814	0.7
159.02916	0.6
160.01569	18.2
161.02351	4.5
161.04454	1.1
161.05949	1.2
161.07216	0.4
162.79054	0.4
163.03940	1.8
164.01070	0.9
164.04659	0.9
165.01839	5.5
165.05519	0.9
169.01309	2.5
175.00359	3.0
175.03920	29.2
176.01062	0.4
176.04315	1.0
177.01862	9.4
177.05457	0.7
178.02638	2.3
179.03436	0.5
185.05988	2.5
187.03896	3.3
188.04475	0.5
190.02589	0.7
191.03455	0.9
193.01373	3.3
193.04984	17.1
194.05397	1.1
196.00049	1.1
201.05402	0.5
203.06996	0.5
205.01340	1.1
205.04965	0.8
209.04230	0.4
217.01349	0.6
223.06056	1.1
227.07108	3.4
229.05005	1.2
229.23819	0.5
235.02457	1.5
241.04987	0.7
241.14240	0.5
257.08148	2.2
265.07050	0.6
268.03760	1.0
269.04535	3.7
270.05124	1.4
271.06113	64.5
272.06433	4.4
283.06271	0.5
285.04300	0.6
285.07678	1.7
295.06299	0.8
301.07184	1.3
313.07162	1.9
339.07205	1.0
345.30209	0.8
373.09348	0.9
381.11734	1.2
415.23538	0.5
433.63571	0.4
441.10324	1.0
459.11774	2.9
483.14914	0.6
489.34048	0.6
507.35153	0.8
521.23938	0.5
522.24664	1.1
523.24274	1.8
561.16107	9.5
562.16180	1.1
579.17175	34.2
580.17456	5.4
591.17438	2.5
592.16559	0.5
593.18237	1.2
609.18506	5.1
610.18475	0.8
618.66473	0.4
635.16473	8.2
636.16803	1.1
650.38934	0.5
651.39502	8.5
652.39905	0.5
669.40973	4.6
711.42181	2.9
755.21753	52.4
756.22125	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	755.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.2
63.02261	0.6
65.00205	0.5
70.04171	0.3
73.02807	0.5
83.01236	0.8
84.02483	0.3
89.02281	0.4
93.03366	0.9
93.14127	0.4
95.38297	0.4
98.20567	0.8
101.02297	0.7
107.01267	0.9
117.03367	1.0
121.02840	0.6
125.02338	0.6
135.00787	0.8
135.08101	0.4
151.00290	2.5
153.01895	0.5
155.04915	0.6
157.06485	0.4
159.04443	1.1
163.00282	0.9
164.00996	0.3
165.01848	0.6
169.06511	0.6
178.99805	0.5
183.04485	2.1
185.05998	0.8
187.03853	0.6
189.05486	0.5
192.00597	0.6
201.23317	0.3
211.03891	2.0
213.05498	0.9
215.03386	0.6
227.03445	13.7
228.03764	1.1
229.05002	2.7
239.03458	0.8
240.04239	0.4
241.05011	0.9
243.02829	0.4
253.05032	0.6
255.02951	41.3
256.03522	4.6
257.04468	2.2
269.04602	0.5
271.05963	0.4
283.02466	46.0
284.03210	40.9
284.06525	0.7
285.04016	100.0
286.04398	7.5
293.04492	0.8
297.04208	0.8
297.07718	0.6
299.05505	0.6
327.05035	2.3
335.05783	0.5
351.04822	0.4
353.06592	1.5
383.07846	0.9
446.08499	2.8
447.09268	22.9
448.09497	2.3
473.11639	0.4
489.10379	0.7
507.47620	0.4
593.15076	80.8
594.15424	11.2
594.24805	0.4
635.16113	1.0
755.20306	8.7
756.20435	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.4
57.72749	0.2
58.84686	0.2
59.01249	100.0
60.01596	0.7
61.98702	3.2
68.86451	0.2
69.03338	0.2
70.90411	0.5
71.01253	3.8
72.99174	0.3
73.02823	1.6
75.00715	0.3
79.95640	0.2
80.96410	0.5
83.01268	0.9
85.02817	1.6
87.00742	0.6
89.02315	1.3
93.03337	0.2
95.01279	0.6
96.95898	0.9
99.00776	0.6
99.92435	0.3
101.02316	2.4
103.03862	0.3
107.04905	0.2
108.02066	0.5
109.02847	0.2
111.00787	0.5
113.02333	2.0
116.92816	0.5
119.03410	0.4
119.04949	0.6
121.02802	0.4
125.02340	0.5
135.28583	0.2
137.02347	0.2
141.73778	0.2
143.03433	0.4
151.00287	0.6
152.01082	0.5
160.58467	0.2
161.04521	0.5
163.03943	0.4
164.50203	0.3
181.05045	0.3
188.07219	0.2
195.06731	0.3
223.06075	0.3
225.04305	0.8
226.04666	0.5
240.06593	1.5
241.07077	0.8
245.07901	0.2
264.18143	0.2
265.09262	0.2
269.04556	0.3
271.06165	0.3
283.03110	0.2
293.12503	0.3
343.28644	0.3
419.26169	0.3
461.27744	0.7
467.94800	0.2
505.33899	1.5
545.33264	0.3
547.35284	0.9
563.34485	0.8
607.39136	0.4
623.36664	0.4
633.40314	0.6
649.39850	0.6
651.40948	0.3
693.42450	0.9
709.37952	2.0
710.39941	0.4
753.31494	0.3
753.43890	0.4
754.42987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00445	2.0
59.00959	2.8
59.01249	48.7
61.98693	21.9
69.03318	2.2
69.39772	16.6
71.01250	30.8
72.99163	4.0
73.02803	5.0
75.00686	2.5
83.01231	4.2
83.01737	1.8
85.02818	7.2
86.88634	2.3
87.00733	7.9
88.98659	4.2
89.02316	27.1
97.02825	6.9
101.02309	26.8
109.06473	4.1
113.02335	13.1
119.03327	4.1
125.02331	11.8
138.17287	2.1
139.73401	2.5
143.03380	3.4
161.04469	4.3
179.05463	5.3
197.11664	4.3
207.10233	10.4
225.11209	4.2
235.08182	9.1
253.09201	3.6
277.21643	3.6
295.26398	100.0
296.26703	10.4
309.20599	4.4
397.13483	100.0
398.13681	8.1
415.14493	31.0
416.14847	4.8
451.19235	2.0
753.39923	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	753.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74442	0.7
55.01756	1.2
55.80772	0.8
56.74078	0.8
57.03312	2.0
59.01249	100.0
60.01581	1.6
61.98702	34.9
66.86224	0.7
68.12107	0.8
68.69451	0.8
69.03306	1.1
69.82133	4.5
71.01247	16.8
71.73441	0.7
72.99169	1.4
73.02816	8.7
75.00751	2.0
79.95602	1.1
80.96384	1.5
81.11552	0.9
83.01270	4.3
85.02824	10.3
87.00748	1.9
87.04391	2.0
88.98654	1.5
89.02315	4.8
93.03310	1.0
95.01225	2.1
96.31666	0.7
96.95890	9.7
97.02819	1.0
97.06433	0.9
98.19883	1.1
99.00714	1.0
101.02312	10.1
103.03896	1.0
104.93314	0.8
108.02069	1.8
109.06503	0.9
109.17326	1.0
113.02329	9.2
116.92730	0.9
119.03395	1.0
119.04888	1.6
121.02815	1.6
125.02330	1.0
125.43029	0.8
143.03305	0.9
147.04294	0.9
149.02289	1.4
151.00296	1.1
152.01050	1.2
156.34737	1.0
161.02325	0.9
161.04442	4.7
171.10138	1.5
179.05585	1.0
190.02663	1.0
209.11810	7.1
211.13231	1.1
217.80753	0.9
225.11101	0.9
245.08038	1.8
269.04471	1.3
387.29251	1.1
399.28952	1.1
428.07391	0.8
447.31180	7.5
505.33127	0.8
545.33215	1.1
591.35327	12.3
592.35522	2.5
603.38385	0.8
607.24091	0.9
609.36432	1.4
633.40240	2.0
649.39526	18.3
650.39783	2.8
651.37720	2.8
667.40228	2.8
691.40112	1.2
693.41071	2.4
709.41559	15.2
710.41919	3.5
753.31543	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23903	1.5
54.24479	1.7
55.01746	3.5
57.03334	8.8
58.00453	3.0
59.01250	100.0
60.01570	2.1
61.98697	20.0
69.03315	3.4
69.29072	3.3
69.29453	15.2
71.01254	75.0
71.04908	2.4
72.99162	4.6
73.02813	19.4
75.00741	3.5
80.39279	1.6
80.96391	1.8
81.03311	2.5
81.06423	1.6
83.01244	14.0
83.04908	1.9
85.02822	32.4
86.67690	1.6
87.00744	6.3
89.02314	23.0
89.26848	1.7
93.03326	7.5
95.01252	6.0
96.95858	2.4
97.02827	4.4
99.00748	5.7
99.04443	1.9
101.02322	42.5
103.03891	19.0
103.67059	1.6
108.02048	4.2
109.02836	2.9
111.00735	5.6
111.08026	1.9
113.02332	34.1
115.03818	1.9
116.22842	1.6
119.01277	3.5
119.03352	6.7
119.04916	5.3
121.02808	5.7
124.01577	2.2
125.02312	6.7
128.09344	1.5
134.03557	2.0
135.04417	3.8
136.04749	1.7
137.02327	8.4
137.05966	4.9
143.03352	5.9
149.02368	13.1
151.00243	2.3
152.00996	4.3
159.02895	4.3
161.04466	9.3
163.03896	3.9
164.04710	11.6
165.12715	9.9
175.00264	16.7
175.03908	2.3
177.09207	1.8
179.10712	1.8
183.13824	14.6
190.02646	36.1
195.06546	1.6
205.05020	36.8
206.05414	2.5
208.03632	1.8
209.11884	1.9
223.04041	2.4
223.06042	16.6
227.12782	6.4
235.07927	2.2
241.14403	1.9
251.12831	2.8
265.09341	11.1
268.03680	3.8
269.04529	8.5
295.10419	2.8
315.07263	2.5
367.10016	4.6
401.59152	1.9
445.20880	1.9
446.49237	1.8
457.20889	2.6
487.32687	5.8
505.22800	4.1
505.33630	7.2
529.34271	2.0
579.17249	1.8
633.38403	2.0
649.38055	77.8
650.38306	13.0
651.39386	3.7
667.39020	53.3
668.39514	8.6
693.40247	2.5
709.40338	25.1
710.40332	4.5
710.75159	2.0
753.30768	82.8
754.31244	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	1.2
57.03307	2.4
58.00451	1.0
59.01248	96.3
60.01583	1.3
61.98700	27.0
65.00163	0.9
69.03316	3.3
69.21841	8.4
71.01250	37.6
71.04901	3.8
72.99170	2.3
73.02815	36.7
75.00748	2.0
80.96420	1.1
83.01257	11.2
83.04912	1.2
85.02821	9.7
86.81849	0.7
87.00740	3.3
88.98682	1.1
89.02311	7.6
93.03342	4.6
95.01240	1.8
96.95887	1.0
97.02830	1.4
99.00758	2.3
99.08060	0.9
101.02318	24.0
103.03889	1.1
107.01233	1.7
107.04884	1.8
108.02052	1.4
109.02840	0.9
111.00741	2.2
113.02322	11.5
115.04004	0.9
119.03377	2.5
119.04886	3.2
121.02810	2.2
123.04417	1.1
125.02304	2.6
131.03368	1.2
134.03658	1.9
135.04388	1.9
137.02336	6.9
143.03378	1.4
145.02911	1.1
147.07983	0.9
149.02353	2.3
151.00281	3.9
152.01021	1.7
160.01527	1.3
160.03983	1.3
161.02312	2.2
161.04399	2.9
163.03932	1.9
164.04698	1.5
165.01759	1.1
165.05463	0.9
170.63239	0.7
175.00267	0.9
175.03944	1.7
177.01768	1.0
179.03336	0.9
190.02631	1.9
193.01291	0.8
193.04964	1.6
205.04990	1.9
268.03687	1.9
269.04483	7.0
271.05951	1.9
271.09647	1.0
289.14316	1.2
292.12613	0.9
296.84650	0.9
313.09250	0.9
315.23203	1.9
369.27777	2.2
397.30826	0.8
399.32712	2.7
425.30444	1.6
443.31689	19.9
444.31924	2.2
470.14526	0.9
487.30609	32.1
488.31085	4.9
507.19553	0.8
521.16650	1.1
521.23779	1.9
639.50507	0.9
649.37891	2.5
667.37750	1.3
693.41541	1.1
709.38031	100.0
710.38385	20.7
730.05548	0.9
753.19543	1.8
753.31177	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	751.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46405	1.8
58.25328	2.0
59.01245	86.4
61.98686	13.3
71.01241	25.7
72.99166	2.8
73.02798	3.0
83.01243	2.2
85.02809	5.9
87.00736	4.9
87.31856	1.7
88.09619	2.1
89.02311	27.3
95.01268	3.5
96.95868	3.3
97.02827	6.4
98.19763	4.5
98.20461	9.9
101.02331	19.5
113.02315	7.3
119.03359	6.7
119.32262	2.4
125.02325	7.5
143.03331	3.8
152.99474	2.2
158.21469	1.9
161.04483	4.2
178.25961	1.9
179.05548	3.5
182.85925	2.0
225.11209	4.7
235.08218	9.2
253.09232	2.7
277.21954	2.0
287.07657	3.6
293.21515	4.0
293.24829	82.8
294.25232	6.6
305.08649	3.5
323.38699	2.0
397.13452	100.0
398.13843	6.3
415.14578	36.6
416.14801	3.8
417.93759	2.4
447.35669	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	753.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.3
59.01249	4.5
61.98693	1.0
63.02260	1.8
65.00217	1.0
69.36514	0.4
69.36918	1.9
71.01262	2.4
72.99236	0.2
73.02822	0.8
75.00722	0.3
81.03334	0.4
83.01257	1.0
85.02834	1.6
87.00744	0.3
89.02321	0.8
89.03841	0.6
91.51233	0.3
93.03328	1.3
95.01257	0.8
97.02773	0.3
98.19807	0.6
99.00771	0.4
101.02311	1.3
103.03888	0.4
105.03337	0.4
106.04117	0.3
107.01238	2.3
108.02085	0.4
111.00745	0.4
113.02308	1.1
117.03329	5.4
119.03328	0.3
119.04909	0.7
121.02888	0.5
125.02323	0.4
132.02068	6.0
133.02855	4.2
134.03624	25.3
135.04425	9.9
137.02382	1.5
143.03441	0.3
149.02370	1.7
149.06003	1.9
151.00244	2.1
159.03079	0.3
159.04349	1.3
160.01563	19.4
161.02342	15.3
161.04366	0.5
162.02681	0.3
169.01350	0.4
169.06442	0.6
171.04401	0.4
172.05321	0.4
174.55154	0.3
175.03911	11.9
176.04256	0.6
177.01941	0.4
178.02632	0.7
179.03413	6.6
180.03934	0.3
181.06406	0.6
183.04448	1.1
184.05179	0.4
193.04965	6.7
194.05179	0.3
195.04463	0.3
196.05206	0.4
197.06024	0.7
200.04707	0.4
201.05539	0.8
203.03455	0.5
205.04988	0.3
211.03999	0.6
212.04527	0.3
217.84586	0.3
223.04100	0.4
224.04643	0.3
225.05559	1.5
227.03435	0.5
239.03468	1.2
240.04274	1.6
241.04999	0.3
259.10788	1.0
265.09158	0.4
267.02933	0.7
268.03751	50.1
269.04526	100.0
270.04871	6.5
283.06110	7.2
284.06448	0.6
293.04428	0.5
300.98727	0.3
307.08093	1.3
311.05545	0.7
315.07224	0.3
319.77325	0.3
351.04794	0.3
367.10159	0.6
381.11752	0.6
413.08743	0.6
431.09827	1.9
469.13531	3.1
559.14532	11.8
560.14850	1.6
577.15698	1.4
649.37909	1.1
650.37653	0.3
667.38928	0.4
709.40222	0.3
753.20221	56.8
754.06836	0.6
754.20477	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	751.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01472	0.9
55.01749	2.8
57.03322	2.6
58.00473	1.5
59.01249	78.2
61.98703	24.6
69.03327	2.5
71.01250	40.4
71.52343	0.8
72.99182	3.0
73.02816	15.8
75.00739	1.0
80.96402	1.0
83.01254	9.9
83.04906	1.0
85.02819	21.2
85.99947	1.3
87.00759	2.0
89.02316	10.7
93.03350	1.2
95.01264	3.0
96.95913	1.8
97.02819	2.1
99.00761	5.0
99.04404	1.2
101.02324	26.2
101.03011	1.3
103.03887	1.3
106.85289	0.9
108.02074	1.3
109.02844	1.0
111.00771	2.6
113.02326	16.1
119.03410	3.5
119.04910	3.0
121.02855	3.3
123.08062	0.9
125.02325	2.9
126.24970	0.9
130.23578	0.9
131.03413	1.0
137.02312	1.1
143.03398	2.1
149.02426	1.1
149.05991	1.2
151.00273	1.1
152.01027	0.9
159.02902	1.2
160.03941	1.3
161.04489	4.9
161.05716	0.8
164.04605	1.1
169.01349	1.6
209.11787	1.7
211.13281	1.0
223.06258	0.8
241.14305	1.6
485.31296	4.6
503.32224	100.0
504.32523	15.2
527.31964	3.0
545.33270	76.8
546.33655	11.2
563.28583	1.5
569.33350	1.6
647.36768	2.7
665.38104	1.6
691.40533	1.6
707.38397	5.4
708.38635	1.5
751.27783	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	751.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.3
57.03315	1.9
58.00462	1.0
59.01245	46.5
60.01570	0.5
61.98695	3.4
62.98376	0.4
69.32256	2.9
71.01250	19.1
72.99187	1.0
73.02818	6.4
75.00715	0.4
83.01246	2.8
84.37601	0.3
85.02816	10.8
85.99977	0.5
87.00735	1.2
89.02306	6.4
95.01252	2.9
96.95872	0.8
97.02795	0.8
98.19837	0.6
99.00752	2.3
101.02316	12.4
102.02653	0.4
111.00736	0.4
113.02322	10.0
119.03371	2.3
119.04918	0.7
125.02343	0.9
126.65420	0.3
143.03375	0.7
143.10712	0.4
151.00253	0.6
159.02859	1.0
161.04433	2.9
177.72350	0.3
179.05600	0.5
190.02571	0.6
195.17342	0.6
269.04526	0.3
297.27887	1.2
460.07303	0.4
485.31192	0.6
503.32468	3.6
504.32608	0.4
509.31467	0.5
527.32208	1.2
545.33252	100.0
546.33594	16.0
569.33301	0.9
602.24506	0.4
647.38080	0.5
707.37885	0.4
708.38062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.4
57.03323	3.9
57.17486	0.7
58.00448	1.1
59.01247	100.0
60.01588	1.3
61.98698	15.1
66.81693	0.6
68.99709	0.8
69.03320	1.1
71.01249	30.8
72.99179	2.3
73.02815	13.8
73.03197	1.2
75.00740	1.8
75.81137	0.6
80.96404	1.0
81.03336	1.2
83.01252	8.6
83.04893	1.3
85.02822	16.2
86.00019	0.8
87.00764	2.7
88.98672	1.4
89.02311	5.7
93.03346	2.0
95.01273	3.1
96.95879	1.4
97.02846	1.4
98.02332	0.8
99.00741	3.9
99.04361	0.9
101.02317	24.0
103.03899	1.5
106.04145	0.8
106.72039	0.7
107.01317	0.7
107.04939	1.7
109.06445	1.2
111.00751	1.9
113.02322	13.2
116.92751	1.8
119.03404	2.9
119.04932	2.9
121.02860	2.9
122.05984	0.8
123.04400	0.9
125.02343	2.6
129.01831	1.8
131.03450	0.7
137.02362	1.6
139.07484	0.7
143.03352	2.1
143.10757	1.1
149.02480	1.0
149.04539	1.0
150.03185	1.1
151.00314	1.8
152.01086	1.2
153.01717	0.8
159.02905	1.7
161.04471	3.5
163.03925	2.3
164.04762	1.2
166.02727	0.8
168.00603	0.7
169.01341	1.3
179.05560	1.2
190.02654	0.7
209.11761	1.6
241.14368	1.0
265.09470	0.9
269.04596	1.5
287.16391	1.0
290.41531	0.9
297.27917	1.0
367.18973	0.8
485.31229	1.5
503.32248	30.3
504.32895	4.3
527.32709	2.4
528.33142	0.8
545.33258	89.4
546.33600	14.6
563.29028	3.2
589.30634	0.9
631.30914	1.6
647.37628	2.1
649.31763	1.1
665.38641	0.8
691.40399	1.4
707.37848	5.2
708.37592	1.0
751.34381	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22734	0.9
57.03321	1.6
58.00462	1.3
59.01248	100.0
60.01590	1.5
61.98698	28.8
69.03318	1.5
69.71842	3.6
69.72243	2.3
71.01250	20.6
71.04913	1.4
72.99182	2.8
73.02821	5.3
75.00732	1.7
80.96401	0.9
81.03332	1.8
83.01255	3.0
85.02817	8.5
87.00730	4.9
89.02309	13.0
93.03358	0.9
95.01284	1.3
96.95890	2.0
97.02823	2.7
99.00745	1.4
101.02316	16.6
102.02728	1.0
113.02336	8.5
119.03387	4.5
121.02893	1.4
125.02351	5.4
133.04977	1.2
143.03421	3.5
149.04533	1.2
152.81770	0.9
161.04463	3.8
171.10208	2.9
179.05516	2.9
205.69017	1.1
209.11835	4.6
221.06731	1.2
222.43950	1.1
223.13210	1.2
227.12987	1.5
235.08174	6.2
235.17020	8.5
253.09273	2.1
275.20114	9.8
276.20441	1.6
287.07568	1.8
287.16568	2.2
293.21222	44.3
294.21518	3.6
305.08655	1.3
397.13474	47.5
398.13931	3.3
415.14478	20.4
416.14844	1.9
503.33487	1.1
560.52356	1.2
631.38354	4.0
691.41479	4.5
707.39459	3.7
751.39246	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.3
60.88036	0.2
61.98703	0.9
65.26971	0.2
71.01246	1.0
72.99175	3.2
73.02812	0.3
73.99500	0.2
75.00741	100.0
76.01078	0.9
87.00729	0.4
89.02304	1.0
101.02315	0.9
113.02333	0.6
119.03370	0.4
125.02351	0.5
125.51563	0.1
143.03461	0.2
145.60246	0.2
161.04504	0.3
179.05525	0.2
209.11746	0.3
215.88881	0.1
225.11292	0.4
227.67715	0.2
235.08163	0.6
253.09340	0.2
277.21692	3.6
278.21988	0.3
287.07800	0.2
293.21259	0.2
305.08792	0.3
387.62070	0.2
394.54337	0.2
397.13446	5.9
398.13678	0.4
415.14548	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	750.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	7.9
60.01582	0.6
61.98696	100.0
71.52443	0.4
130.92932	0.3
134.87213	0.3
222.82642	0.3
465.62573	0.3
476.18311	0.4
514.13818	0.4
515.13452	0.6
529.15314	0.6
572.17993	0.3
604.20111	0.4
615.19415	0.6
616.20331	2.7
617.20313	4.8
649.20239	0.5
690.23462	0.4
735.35284	0.3
749.25403	1.1
750.24768	6.0
751.25262	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.9
57.03324	1.0
57.06513	0.4
59.01247	100.0
60.01577	1.0
61.98711	0.9
63.84712	0.4
69.46680	2.7
71.01253	10.0
72.99197	0.5
73.02822	3.5
83.01259	1.5
85.02823	5.2
87.00758	0.7
89.02322	1.7
93.03324	0.6
95.01275	1.1
99.00777	1.7
100.34530	0.4
101.02316	8.3
103.03952	0.5
108.02057	0.7
109.02838	0.6
111.00787	0.6
113.02320	5.0
118.95284	0.4
119.03448	0.5
119.04935	1.1
120.70341	0.4
143.03387	0.6
149.04514	0.4
151.00369	0.5
152.01044	0.6
159.02835	0.5
160.04001	0.7
161.02362	0.6
161.04475	2.7
164.40591	0.4
190.66382	0.4
231.13823	0.4
239.71132	0.4
265.09332	0.6
269.04514	0.6
277.48575	0.4
281.87756	0.5
289.16577	11.7
289.19690	0.7
290.17059	0.7
331.17441	2.6
375.20340	1.7
563.28699	0.6
631.37622	0.9
647.36749	0.8
650.49591	0.5
665.38446	0.4
751.26605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.9
59.01253	7.0
69.03333	2.0
71.01238	5.5
73.02812	1.6
81.03323	1.0
85.02807	3.2
89.02325	1.3
93.03320	6.5
94.85726	0.7
95.01257	2.2
95.04900	2.4
96.95892	1.0
97.02850	1.9
98.20690	1.1
101.02315	3.2
106.04121	5.5
107.01274	1.0
107.04945	1.0
108.02046	66.6
109.02847	22.0
111.00709	1.7
113.02325	2.3
119.04923	3.8
121.02834	8.4
122.03686	0.8
123.00702	1.7
123.04371	1.6
125.02316	2.1
133.02882	1.2
133.06361	0.9
134.03716	1.0
135.00758	3.9
135.04391	1.3
137.02386	3.8
138.03099	0.9
143.03397	1.2
149.02342	3.3
150.03082	2.6
151.00273	1.3
151.03882	2.3
152.01048	100.0
153.01845	16.6
159.08043	2.7
160.03938	9.5
161.04344	4.3
163.03899	3.2
165.01813	10.4
166.02425	1.0
167.03342	1.1
171.04300	1.1
173.09680	1.2
175.11186	14.1
176.01076	1.6
177.01801	2.0
179.03255	0.8
180.04123	1.2
181.01300	5.0
182.02101	1.3
183.08142	1.5
185.05965	1.2
195.02911	2.5
195.04485	0.9
199.07573	1.2
201.09164	9.5
217.12151	1.5
219.10225	2.0
230.05113	1.1
237.04005	1.8
243.09970	1.0
245.08163	5.5
245.31921	0.9
261.11212	1.4
269.04514	1.2
272.09296	1.4
295.09808	1.8
297.06036	3.2
311.12698	1.1
315.07227	1.7
323.12878	0.9
337.10870	2.1
337.82956	0.9
355.11655	1.4
356.06885	1.0
359.56213	0.9
366.08185	1.8
367.08432	1.3
368.08798	2.1
379.11618	0.8
392.08704	0.8
397.12726	1.0
409.11697	1.4
499.16122	2.6
517.17346	1.1
543.15082	1.8
544.18195	3.2
558.17578	1.1
570.15906	2.6
588.17126	88.1
589.17694	10.9
612.17346	1.5
630.18048	6.9
631.18616	1.8
690.20190	1.3
693.66193	1.0
713.09235	1.0
750.22272	24.2
751.22607	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	749.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.6
61.98698	1.2
67.75757	0.8
68.99706	1.2
69.03330	0.7
69.40166	6.2
71.01244	7.5
72.99178	0.7
73.02814	3.4
80.75488	0.6
80.75964	0.7
81.03333	1.7
83.01260	1.2
85.02814	6.1
87.00750	1.4
93.03318	3.7
95.01250	2.8
101.02322	6.0
102.80808	0.7
103.03909	0.9
106.04127	6.0
107.04917	1.8
108.02045	89.0
109.02851	37.4
110.03156	1.4
113.02335	3.9
119.04890	1.2
121.02799	3.5
123.00766	1.8
123.04407	1.4
133.02866	1.4
135.00739	1.7
137.02339	1.8
138.03088	1.8
149.02341	2.2
150.03096	1.7
151.03897	0.9
152.01048	100.0
153.01849	28.6
154.02190	1.4
158.87187	0.9
159.08022	1.8
161.02348	8.8
161.04431	1.1
161.09595	2.3
163.03905	1.8
165.01805	0.9
166.02574	1.1
167.03441	0.9
175.11203	2.5
181.05066	0.8
182.01987	1.0
195.02876	1.4
203.06940	1.1
205.08571	1.6
215.14296	1.1
227.14363	3.7
245.15359	3.0
265.09467	1.1
271.13300	1.1
289.14423	33.2
290.14755	2.4
297.06207	0.9
315.07202	21.6
316.07571	2.0
331.15729	1.2
370.66428	0.9
433.18613	9.0
543.22131	1.6
587.21252	65.8
588.21649	8.3
629.22144	3.0
749.26514	92.5
750.26782	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	749.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	7.9
61.98698	1.5
63.63034	0.6
64.15746	0.6
68.80424	0.5
69.03329	1.2
69.40534	1.3
69.40949	4.1
71.01252	7.7
72.99200	0.6
73.02823	2.2
73.34431	0.5
77.87925	0.6
81.03333	1.3
83.01270	1.7
83.04883	0.9
85.02820	6.1
87.00736	0.7
89.02313	2.1
93.03339	2.5
95.01262	1.6
96.95873	1.1
99.00734	0.8
101.02328	4.5
103.03865	1.3
106.04113	4.9
107.04891	0.8
108.02045	57.1
109.02846	26.2
110.03194	0.7
111.00787	0.6
113.02317	4.4
119.03397	0.9
119.04934	0.6
121.02824	4.3
123.00747	1.0
123.04395	0.8
123.08042	3.8
125.02306	0.7
134.03667	0.7
137.02338	1.2
138.03146	1.4
142.87077	0.6
143.03372	0.6
145.06432	0.6
149.02336	2.8
150.03125	2.5
151.03896	1.8
152.01048	79.6
153.01846	25.2
161.04477	1.2
162.50114	0.5
163.03999	1.2
165.01810	1.7
166.02632	0.7
167.03383	1.1
173.90848	0.6
175.71640	0.6
177.01881	1.2
182.02129	2.1
185.55550	0.6
187.11185	5.5
189.05540	0.8
190.06201	0.9
195.03043	0.8
202.50133	0.6
225.04120	0.6
227.14206	0.7
229.12370	1.3
231.10216	1.6
245.15367	0.8
259.13162	0.7
265.09256	2.7
271.13394	1.1
289.14420	23.8
290.14749	2.1
294.04739	0.6
315.01556	0.8
315.07202	18.9
316.07486	1.4
319.74667	0.7
331.15298	0.8
433.18588	9.3
434.18948	1.2
460.85858	0.6
495.18716	0.6
539.21832	0.7
543.21948	1.9
544.22345	0.7
569.20007	1.0
581.28284	0.6
587.21265	59.1
588.21814	8.8
629.22577	3.7
630.22388	0.8
707.16516	0.6
749.26569	100.0
750.26868	19.9
756.49457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.1
57.03292	3.0
58.00457	0.9
59.01244	42.9
61.98700	6.8
69.03307	1.5
69.25196	4.5
69.25623	4.2
71.01246	29.1
72.99158	2.6
73.02815	7.0
75.00710	1.4
81.03304	1.3
83.00803	0.8
83.01245	6.6
83.04886	1.1
85.02816	17.7
87.00717	1.9
89.02312	13.4
91.01729	1.2
93.03334	5.0
95.01252	5.3
95.04864	1.0
96.95848	3.2
97.02795	1.6
99.00720	2.3
99.04359	1.4
101.01731	1.3
101.02317	18.8
103.03876	12.7
106.04069	3.7
107.01263	2.0
107.04867	2.6
108.02042	51.6
109.02854	18.9
111.00682	1.8
113.02322	12.5
119.03331	4.1
119.04884	4.4
121.02788	4.2
123.00709	1.5
123.04325	2.8
125.02293	2.5
134.03590	1.6
135.00645	1.6
135.04344	2.5
137.02342	6.0
137.05904	1.1
138.03021	1.4
143.03334	1.2
145.02763	1.1
149.02286	3.2
149.05917	1.3
150.03102	2.3
151.00266	1.6
151.03864	2.9
151.07535	1.0
152.01044	62.2
153.01833	16.6
159.04187	1.1
159.07944	1.1
160.03928	2.0
161.02281	1.4
161.04391	4.1
161.05937	2.5
163.03822	3.7
163.07556	1.0
165.01736	1.4
165.05347	1.2
167.03348	2.1
174.03207	0.9
175.00188	1.0
175.03860	1.0
175.07513	1.0
178.99844	1.0
179.03342	1.0
179.05457	1.5
181.04826	0.9
187.11143	2.4
189.05301	1.2
190.02475	2.8
191.03387	1.0
195.02916	0.9
195.06555	2.3
203.03391	1.1
205.04965	4.5
205.08720	1.1
219.06505	1.1
223.05997	2.2
227.14330	1.5
229.15955	1.8
233.11620	1.1
241.14259	1.4
245.15353	1.4
255.02805	2.2
265.09262	25.1
269.04312	2.2
271.05997	1.3
271.13385	5.6
273.14877	2.9
283.02396	2.6
283.05664	1.2
284.03064	2.2
285.04019	6.6
289.14319	2.5
303.12143	1.9
315.07193	12.3
327.04675	1.0
333.07941	4.3
385.08307	1.1
407.20599	1.4
415.16995	1.6
433.18146	1.5
447.08945	3.5
451.19379	4.0
455.18939	1.2
489.10031	2.5
559.27063	1.2
569.20239	5.7
587.20001	2.7
595.23328	1.5
645.20422	1.1
645.34125	2.9
647.36420	1.1
663.24268	1.1
663.35492	1.6
668.33795	1.1
687.33130	1.1
687.39716	1.5
705.27069	2.6
705.38507	1.2
710.02802	1.1
731.32275	1.6
749.26215	100.0
750.25354	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.5
57.03308	0.7
58.30110	0.4
59.01245	12.0
60.33878	0.4
61.90757	0.5
61.98701	3.0
63.02261	1.1
63.81138	0.5
65.00195	3.9
65.57771	0.5
66.62845	0.5
67.20321	0.4
68.99677	1.4
69.44769	3.8
71.01250	6.2
73.02817	2.1
76.22106	0.5
79.95609	0.6
83.01263	1.2
85.02828	4.1
87.00762	1.2
89.02322	2.9
93.03332	6.9
95.01237	0.8
96.95892	1.7
101.02304	3.6
103.03856	1.6
105.07008	0.6
107.04903	0.9
108.02044	1.2
109.02842	1.1
109.06489	2.1
111.00713	0.8
113.02341	3.7
116.92629	0.6
117.03307	0.9
119.04913	38.5
120.05241	1.6
121.02795	0.9
125.02316	0.9
131.03345	0.6
131.08542	1.4
133.05479	1.0
133.06482	14.2
133.81509	0.6
134.06787	0.7
135.04413	0.8
136.01515	0.6
137.02312	2.2
145.02847	2.5
147.08003	0.8
149.02359	1.4
149.05957	1.6
150.03117	0.8
151.00215	0.9
151.07536	5.2
152.01077	1.8
153.01830	0.7
159.04340	0.7
160.01552	0.7
160.03880	0.7
161.02342	1.3
161.04495	1.4
161.05934	0.8
163.00281	1.7
163.03877	1.5
165.01851	0.6
165.05414	0.9
175.00266	1.1
175.03947	1.3
175.07574	5.8
176.01062	5.1
177.01840	1.7
179.05455	0.6
187.03860	0.8
190.02643	0.6
191.07036	1.8
193.08640	1.5
195.06491	1.0
203.07060	0.5
203.43039	0.5
205.05049	0.8
219.06570	45.0
220.06900	1.8
222.01709	0.8
233.08078	2.6
237.07678	1.2
245.08163	4.4
256.28824	0.5
265.09277	3.4
269.04413	1.6
285.03946	1.0
339.12332	86.3
340.08575	0.7
340.12717	8.5
447.09207	1.0
501.17664	3.3
506.56793	0.7
534.07642	0.5
543.18677	100.0
544.10870	1.0
544.18976	14.2
554.02429	0.7
559.27582	1.0
577.28357	0.8
616.76709	0.7
643.24884	0.5
749.24573	2.1
749.28815	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	747.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	6.3
58.00461	1.1
59.01248	41.9
61.98696	6.0
65.00206	0.6
69.03328	1.0
69.26050	1.2
69.26454	4.5
71.01251	20.0
72.99167	0.9
73.02817	4.8
79.95591	0.5
83.01257	3.5
83.04887	0.8
85.02820	21.1
87.00748	2.4
89.02321	4.3
92.35810	0.7
93.03324	2.0
95.01257	2.0
96.95911	0.9
97.02797	1.1
97.25659	0.5
99.00746	2.2
99.04406	1.0
101.02329	9.1
103.03886	29.6
104.04244	0.8
107.01263	0.8
111.00758	0.9
113.02338	8.6
119.03387	2.1
119.04904	2.3
120.17566	0.6
121.02818	0.9
123.04441	0.7
124.01510	0.6
125.02306	2.1
127.03900	1.2
133.06459	1.7
137.02315	1.7
141.36865	0.6
143.03369	1.2
149.02417	0.8
150.03069	0.8
151.00255	1.5
152.01140	0.7
153.01642	0.7
153.09100	1.2
157.04932	0.8
161.04454	2.4
163.03831	0.6
176.01083	0.8
180.84196	0.6
191.03358	1.0
205.05054	0.9
235.17006	6.5
241.14259	0.8
247.08173	1.9
249.18515	2.0
251.16425	0.6
255.12236	1.5
259.16879	0.6
265.09283	4.4
269.04459	2.2
277.18082	2.2
279.14163	0.6
285.04044	1.2
395.20709	4.0
413.21780	3.9
427.23352	0.8
437.21744	2.2
455.22867	6.7
483.25940	5.4
489.10733	0.7
497.23981	0.7
499.29123	2.0
540.50446	0.7
599.37445	1.0
643.33002	1.7
661.30627	1.6
685.37646	1.3
703.31757	100.0
703.41315	4.4
704.32062	15.5
747.29718	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	745.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	20.4
59.01246	27.3
64.64634	1.8
66.40423	1.6
69.42388	3.7
69.42793	11.2
71.01288	2.7
73.02804	1.4
84.04979	1.4
85.02821	6.3
92.24551	1.3
98.20523	2.1
101.02288	1.6
109.06499	14.0
111.04426	7.2
135.08047	16.1
137.09637	14.5
138.06790	2.7
149.09648	3.7
153.09084	6.4
155.90138	1.9
162.03079	1.5
163.11186	10.6
167.10655	5.7
177.09114	21.4
191.10667	6.2
193.12268	100.0
194.12625	4.2
211.13333	38.8
212.13744	1.9
217.12294	5.2
235.13388	21.8
241.14403	3.7
253.14424	19.1
255.12303	2.9
297.13449	12.3
465.20755	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	747.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53653	0.5
59.01248	100.0
60.01582	0.8
61.98705	1.6
71.44492	1.0
72.78992	0.5
73.04745	0.4
78.37173	0.6
82.25428	0.5
120.62736	0.5
131.00900	0.5
140.25462	0.5
162.33003	0.4
205.65466	0.6
219.33528	0.5
236.52377	0.6
244.14287	0.5
282.55170	0.5
312.23697	0.5
316.08899	0.5
326.90298	0.5
401.93848	0.5
455.17191	3.2
456.17853	0.5
467.13626	1.3
469.11636	1.0
473.18289	4.3
474.18613	0.6
481.15527	0.8
483.13266	1.4
496.13879	2.6
497.13269	0.6
510.15222	0.9
511.16229	1.1
512.13263	10.5
513.13782	2.1
526.14911	11.2
527.15314	4.6
569.16901	1.9
586.17249	0.7
599.18109	1.6
600.18439	1.6
601.19220	3.8
602.19904	0.8
613.19269	1.6
614.20148	69.1
615.20447	13.7
618.16174	1.1
632.17401	1.8
646.19330	9.9
647.19727	2.9
673.21509	1.3
687.23206	4.4
688.23505	0.9
740.09930	0.6
747.25159	50.4
748.25385	14.3
748.37878	1.1
769.25665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.8
57.03317	0.7
59.01247	100.0
60.01585	1.4
65.87434	0.4
69.29461	0.4
69.29778	3.3
71.01249	10.1
73.02817	3.2
83.01260	1.3
84.89218	0.3
85.02822	4.7
85.99979	0.3
87.00766	0.5
89.02328	3.0
95.01296	0.6
99.00743	0.7
101.02319	8.0
107.42522	0.3
108.43110	0.3
113.02312	4.4
113.03042	0.3
119.03421	0.9
125.02380	0.4
128.46956	0.3
143.03392	0.7
155.79137	0.3
156.94611	0.3
159.02901	0.6
161.04434	3.1
210.89912	0.3
226.58002	0.4
229.05070	1.0
269.10309	3.2
287.14908	1.8
305.16046	6.9
306.16461	0.4
311.11414	1.5
320.49567	0.3
347.17072	8.1
347.20935	0.5
348.17560	0.6
391.10709	0.6
452.99557	0.4
489.56174	0.3
705.13495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.8
58.00445	1.5
59.01247	30.6
59.10971	0.5
61.98694	3.8
62.18037	0.6
64.04542	0.5
66.10258	0.5
71.01249	18.2
71.52575	0.7
71.52927	0.7
72.99152	1.3
73.02810	4.1
83.01250	2.5
85.02823	15.8
87.00764	3.1
89.02312	13.3
93.03327	1.2
95.01279	1.9
96.95876	1.2
97.02824	0.8
99.00739	1.9
101.02315	9.8
103.03886	26.0
106.04108	2.5
107.04905	0.8
108.02042	1.5
111.00770	1.4
112.49843	0.6
113.02320	6.9
119.03376	5.9
119.04903	2.2
121.02864	1.1
125.02345	0.8
130.58769	0.7
134.03621	1.2
137.02315	1.6
138.03120	0.9
143.03371	1.3
149.02299	2.2
150.03084	1.1
152.01099	1.1
159.08057	1.3
160.03897	1.3
161.04427	0.7
163.03899	1.9
164.04510	0.8
165.05437	1.5
166.02600	0.7
175.00279	0.9
175.11176	2.2
181.04886	1.1
187.11191	3.0
195.06499	1.1
205.04991	1.2
205.12265	5.6
231.10194	1.1
249.11339	2.4
251.59467	0.7
265.09265	38.9
266.09583	1.4
269.04520	1.1
291.12186	0.8
349.16550	1.7
367.17688	2.9
393.15631	3.4
411.16510	8.8
425.18210	0.8
435.16663	7.2
449.18262	0.7
453.17496	10.5
454.17694	0.7
495.18793	7.8
496.18567	0.8
497.20416	1.7
505.10956	1.0
523.24994	1.2
525.19745	0.7
539.21118	1.8
555.20886	2.1
581.22717	1.5
583.23090	1.3
641.24310	0.9
659.25397	1.7
701.26556	100.0
702.26923	16.2
745.19861	3.2
745.31409	1.4
746.21533	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	7.5
61.98708	1.5
63.02260	1.5
65.00188	7.1
71.01249	5.4
72.99146	1.2
73.02796	1.5
75.00723	1.4
83.01234	3.5
85.02825	5.2
87.00741	1.9
89.02287	2.3
93.03301	4.9
96.95892	2.0
101.02306	3.6
107.01273	13.7
107.04964	1.6
108.02017	3.5
109.02818	3.4
111.00747	3.0
113.02275	2.9
113.03690	1.1
119.03319	1.5
119.04910	1.5
121.02784	5.9
123.04433	1.1
125.02301	2.4
131.01225	2.1
133.02867	1.5
135.04405	1.5
136.01500	1.1
137.02306	5.0
137.03232	1.1
149.02287	1.9
150.03058	3.7
151.00270	67.0
151.03793	1.7
152.00710	3.7
153.01941	1.2
161.02252	1.5
163.03812	1.6
165.01811	2.0
165.05428	3.8
169.01320	2.1
175.00293	13.5
175.03770	1.4
177.01836	1.5
178.99756	4.7
181.04898	1.4
191.01880	1.5
191.05511	2.1
193.01306	2.4
195.06494	2.6
197.04362	1.1
199.03853	3.3
205.01347	1.2
205.05008	1.8
212.01898	1.2
215.03462	2.5
226.02710	1.1
227.03354	4.2
243.02800	3.8
255.02757	1.8
256.03427	1.7
257.04520	1.1
271.02448	55.1
272.02936	5.5
273.03781	1.6
273.14963	1.3
299.01956	81.1
300.02615	22.8
301.03482	35.8
302.03784	3.3
315.07394	1.3
357.09802	5.7
433.07513	3.9
461.07510	5.2
463.08884	2.5
535.19598	2.6
539.20557	2.3
582.10022	4.8
583.10876	100.0
584.11322	15.8
701.25061	1.5
745.15802	38.0
745.27454	3.8
746.16174	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	744.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45598	0.3
58.00327	0.4
59.01241	0.7
61.98700	100.0
71.52044	0.3
81.85612	0.3
89.02315	1.3
105.22638	0.3
129.57721	0.3
162.89426	0.3
165.08073	0.4
167.28763	0.3
206.91080	0.4
247.04051	0.3
339.65039	0.3
399.14151	0.5
400.44464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.3
61.98700	100.0
62.13725	0.4
71.53065	0.5
78.95774	0.4
80.70209	0.3
116.69959	0.3
162.44035	0.3
171.10197	1.9
180.27800	0.3
293.21420	0.6
683.41718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31718	0.3
57.03306	1.5
59.01250	7.0
61.98698	2.7
63.36658	0.3
65.62402	0.3
70.81569	0.7
71.01245	3.3
72.99167	0.4
73.02796	1.5
75.00735	0.5
83.01234	0.9
85.02814	2.0
85.03239	0.3
87.00733	0.8
89.02298	1.0
93.03341	0.8
94.63615	0.4
96.95863	0.9
97.02814	0.5
97.89198	0.3
99.00765	0.5
99.04391	0.7
101.02324	1.5
103.03896	0.5
107.04860	0.5
108.02045	0.6
109.02850	0.4
109.06438	0.4
111.00777	0.4
111.04386	0.4
113.02313	1.5
119.03335	0.4
119.04897	1.1
121.02843	0.7
121.06476	1.3
122.03584	1.1
123.04393	1.0
125.02390	0.5
127.11158	0.8
134.03561	0.4
135.04417	3.5
136.05193	39.6
137.02350	0.6
137.05867	1.3
137.09564	1.0
147.08058	1.3
147.80872	0.3
148.05170	0.6
149.02368	0.9
149.04857	0.6
149.05974	8.8
150.03081	0.6
150.06763	4.9
151.00266	0.8
151.03954	0.5
151.07480	0.4
152.00972	0.6
153.09033	0.4
162.06755	3.4
163.03966	0.6
163.07539	2.0
164.04680	0.7
164.08319	5.1
165.01926	0.4
165.05428	0.5
165.09114	18.3
166.09459	1.0
175.00259	0.5
179.06970	0.6
179.10709	0.6
190.02554	0.8
205.04945	0.9
239.12744	0.4
241.14429	1.0
245.04613	0.4
250.61411	0.3
265.21756	0.5
269.04486	0.8
271.06155	0.4
273.14880	0.5
283.22681	0.5
285.03943	0.5
293.04636	0.4
315.21622	0.7
329.23279	7.5
329.27155	0.4
330.23581	0.5
416.29221	0.8
431.31601	1.7
432.32047	0.8
434.30307	3.7
435.30569	0.6
448.31891	1.1
449.32675	16.1
450.33093	2.3
476.30994	1.9
477.32114	3.7
487.19717	1.4
494.32626	2.8
495.33292	24.4
496.33871	3.5
577.79120	0.5
657.38446	1.6
683.39905	0.6
699.39563	100.0
700.39874	20.6
743.34784	0.6
744.38556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88351	1.5
53.33475	1.8
56.25011	2.1
57.03320	4.6
59.01249	40.3
60.53748	1.6
61.98708	1.9
71.01251	22.5
71.16221	4.5
72.01624	2.0
72.81933	1.7
72.99197	3.4
73.02803	13.4
75.00761	2.3
83.01254	5.1
83.04899	3.5
85.02837	11.8
87.00729	2.0
87.04377	12.9
89.02325	11.5
93.03323	2.3
95.04887	1.9
99.00733	2.1
101.02333	14.3
108.02048	8.7
109.02810	5.2
111.00768	4.4
113.02322	7.1
116.92718	1.7
119.03399	2.7
119.04916	3.8
121.02839	11.2
122.03608	5.9
129.01854	1.8
133.02863	2.5
133.06473	1.9
134.03651	1.7
135.04390	2.3
136.01514	2.1
137.09637	3.3
149.02376	17.0
150.03093	5.4
151.00287	4.1
152.01050	8.3
153.01770	3.2
161.02325	8.9
163.03926	4.1
169.01251	1.9
175.07684	2.0
176.86974	2.1
181.05009	2.2
195.13815	5.3
203.06934	2.8
223.99596	2.0
237.14958	19.2
243.13846	8.9
245.15431	3.6
261.14908	8.3
271.06006	4.3
271.13452	6.9
272.06445	3.9
273.14981	23.8
274.15079	2.5
281.13953	6.3
289.14383	5.6
316.07550	1.9
320.39255	1.7
327.08911	2.6
405.19104	2.9
423.20303	15.2
433.18570	5.2
451.19733	28.7
451.81250	1.9
452.20203	3.8
465.21341	19.8
466.21869	2.0
493.20801	100.0
494.21048	13.2
495.18604	3.2
519.18652	7.1
537.19720	34.3
538.20386	6.4
598.27002	2.0
681.91046	2.1
699.24945	30.2
700.25336	6.1
743.21539	2.7
743.30579	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	743.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03321	1.3
59.01249	100.0
60.01584	1.1
71.01254	13.1
71.29280	0.7
72.01598	0.5
72.99159	0.6
73.02825	4.7
80.55559	0.4
83.01269	1.8
85.02825	7.0
85.03302	0.7
87.00791	0.8
89.02329	1.6
93.03399	0.5
95.01282	1.4
96.95877	0.5
99.00780	1.9
101.02308	8.4
103.03884	0.8
107.01232	0.5
107.04958	0.5
108.02048	0.7
111.00783	0.6
113.02319	4.6
119.04860	0.6
121.02869	1.0
123.04396	0.8
125.02370	0.9
129.01869	0.4
134.48036	0.4
137.02393	0.6
138.06770	0.9
143.03398	0.8
149.02367	0.4
149.82936	0.4
151.00272	1.0
152.01076	0.5
153.01920	0.6
153.09065	2.0
159.02913	0.8
160.03990	0.5
161.04463	5.0
164.86636	0.4
165.01897	0.6
167.03438	1.1
193.05136	0.6
195.06589	0.7
197.15485	0.9
205.03487	0.5
207.13730	0.5
221.08241	0.4
225.07504	0.5
225.14909	3.2
239.16505	3.4
265.09442	0.6
269.10306	10.5
270.10812	0.7
283.15549	1.1
301.74701	0.4
311.11334	10.1
312.11780	1.3
375.17868	0.5
387.20193	2.0
600.72168	0.4
743.25012	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	742.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.3
60.99176	0.4
61.98700	100.0
62.98400	0.2
70.38966	0.2
70.39330	0.3
71.01269	0.3
83.04900	0.1
85.02838	0.2
87.00764	0.2
88.00276	0.5
88.98674	2.2
89.02335	0.4
101.02321	0.2
112.61909	0.1
127.11166	0.1
134.55426	0.1
140.48172	0.1
143.03473	0.1
148.81705	0.1
152.59589	0.1
155.53386	0.1
160.98279	0.1
161.04498	0.1
171.10196	0.3
199.65935	0.1
201.11227	1.1
202.11665	0.5
209.11746	2.8
210.12076	1.2
214.12595	0.1
227.12837	0.3
228.13129	0.2
235.08237	0.2
253.09361	0.4
277.21732	1.8
278.21982	1.1
282.25253	0.2
293.21378	0.1
399.14093	0.2
400.14117	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88351	1.5
53.33475	1.8
56.25011	2.1
57.03320	4.6
59.01249	40.3
60.53748	1.6
61.98708	1.9
71.01251	22.5
71.16221	4.5
72.01624	2.0
72.81933	1.7
72.99197	3.4
73.02803	13.4
75.00761	2.3
83.01254	5.1
83.04899	3.5
85.02837	11.8
87.00729	2.0
87.04377	12.9
89.02325	11.5
93.03323	2.3
95.04887	1.9
99.00733	2.1
101.02333	14.3
108.02048	8.7
109.02810	5.2
111.00768	4.4
113.02322	7.1
116.92718	1.7
119.03399	2.7
119.04916	3.8
121.02839	11.2
122.03608	5.9
129.01854	1.8
133.02863	2.5
133.06473	1.9
134.03651	1.7
135.04390	2.3
136.01514	2.1
137.09637	3.3
149.02376	17.0
150.03093	5.4
151.00287	4.1
152.01050	8.3
153.01770	3.2
161.02325	8.9
163.03926	4.1
169.01251	1.9
175.07684	2.0
176.86974	2.1
181.05009	2.2
195.13815	5.3
203.06934	2.8
223.99596	2.0
237.14958	19.2
243.13846	8.9
245.15431	3.6
261.14908	8.3
271.06006	4.3
271.13452	6.9
272.06445	3.9
273.14981	23.8
274.15079	2.5
281.13953	6.3
289.14383	5.6
316.07550	1.9
320.39255	1.7
327.08911	2.6
405.19104	2.9
423.20303	15.2
433.18570	5.2
451.19733	28.7
451.81250	1.9
452.20203	3.8
465.21341	19.8
466.21869	2.0
493.20801	100.0
494.21048	13.2
495.18604	3.2
519.18652	7.1
537.19720	34.3
538.20386	6.4
598.27002	2.0
681.91046	2.1
699.24945	30.2
700.25336	6.1
743.21539	2.7
743.30579	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	743.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05064	1.0
57.03323	23.3
59.01252	27.0
61.71934	1.0
66.91581	0.9
71.01261	2.7
71.52644	1.1
73.02818	2.3
73.57371	1.1
83.04916	1.4
85.02804	5.8
99.04404	2.5
109.06469	13.4
111.00729	1.0
111.04404	7.8
115.64547	1.0
121.06445	1.7
123.08075	2.7
125.05956	1.0
126.94494	0.9
135.08055	20.2
137.09615	13.1
138.06773	2.7
147.08047	1.2
149.09608	5.2
153.09109	6.8
163.03905	2.0
163.11183	9.3
167.10704	11.4
177.09129	24.0
178.09492	1.6
181.04903	1.3
191.10710	6.3
193.12270	100.0
194.12592	5.0
200.66838	1.1
211.13345	40.0
212.13681	2.9
217.12256	4.1
223.06316	1.2
235.13371	24.5
236.13646	1.6
253.14450	22.2
255.12350	1.6
297.13431	11.9
365.14468	1.2
466.10992	1.1
532.52478	1.1
591.87091	1.1
626.16492	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56844	0.5
55.01779	0.5
57.03307	0.6
59.01246	4.8
61.98697	4.7
67.79848	0.5
69.32288	1.8
69.32712	3.1
71.01247	3.8
73.02795	1.1
75.91217	0.5
78.95762	0.5
79.95574	0.6
80.02537	0.6
81.03337	1.2
83.01248	0.8
83.04903	4.1
84.02046	0.9
85.02808	1.0
87.00749	0.8
89.01831	0.5
89.02285	2.5
97.06426	0.5
99.04355	0.7
101.02314	3.5
107.87733	0.5
113.02338	1.9
119.03387	1.1
125.05985	0.7
125.09589	1.2
127.11162	2.5
133.92778	0.6
137.09581	0.5
145.71165	0.5
147.11674	0.6
155.10663	0.8
159.45245	0.5
161.04454	1.5
163.11182	3.0
163.41220	0.5
165.09062	0.7
165.12758	1.5
171.10168	1.4
181.12350	0.6
191.10764	0.8
196.14243	0.6
199.09642	0.9
201.11250	41.0
202.11559	2.6
209.11761	92.1
210.12144	6.2
227.12830	11.2
235.08162	6.2
253.09251	15.3
277.21704	100.0
278.22040	8.3
419.19290	0.9
437.20218	1.6
443.31927	1.3
445.20798	1.8
461.32645	1.2
555.26520	0.5
756.96167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
57.03335	1.2
58.00449	1.8
59.01249	26.9
61.98703	11.6
69.63988	0.9
71.01249	28.9
71.52612	1.7
72.99176	3.2
73.02818	3.9
78.95772	3.4
81.03356	1.2
83.01256	2.9
85.02812	6.2
87.00759	10.1
88.00263	2.6
88.98688	1.2
89.02312	28.2
95.01257	1.9
97.02824	4.1
99.00743	1.1
101.02314	22.6
103.35095	1.1
113.02325	8.8
115.80029	1.0
119.03391	5.7
125.02318	9.1
125.09618	1.6
143.03389	4.0
152.99478	1.7
161.04402	3.1
171.10194	2.2
179.05499	3.1
187.09569	1.7
209.11751	3.2
213.22411	1.1
227.12820	1.3
235.08195	11.5
253.09221	1.5
277.21753	3.7
279.23349	2.0
283.26392	73.8
284.26825	7.9
287.07742	3.3
305.08798	4.4
397.13455	100.0
398.13757	7.0
415.14548	31.8
416.14584	1.4
681.40002	2.5
741.40039	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.4
61.48379	0.8
61.98700	49.9
71.01249	3.5
71.08164	1.9
73.02857	0.8
78.95742	0.9
80.02573	0.8
83.01275	1.0
83.04895	3.9
85.02833	1.5
87.00751	6.5
88.00290	1.6
89.02305	1.8
95.04898	0.8
101.02328	3.0
101.05979	1.0
113.02312	1.3
125.09638	1.9
127.11166	3.4
146.18321	0.9
147.83455	0.8
161.04509	1.2
163.11205	2.8
165.12717	2.1
171.10188	2.9
172.10376	0.8
174.02100	0.8
179.05530	1.2
199.09645	0.9
201.11253	42.5
202.11649	2.1
209.11761	100.0
210.12073	7.5
225.11258	1.1
227.12827	13.3
235.08170	3.1
253.09253	14.8
277.21704	69.7
278.22018	7.7
279.22305	1.2
376.65579	0.8
405.18149	1.2
410.94498	0.8
437.20239	1.8
443.31583	1.4
445.20822	1.6
461.32922	1.3
741.44165	1.0
742.44464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.2
57.03315	3.4
59.01249	100.0
60.01587	1.2
61.98700	30.6
65.00186	0.9
70.27980	2.4
71.01250	25.1
71.04903	0.8
72.99194	2.1
73.02812	7.4
74.73141	0.5
75.00729	0.8
76.79374	0.6
80.96377	0.5
81.03318	0.5
83.01254	4.4
84.02074	0.5
85.02821	12.8
87.00748	1.3
87.04393	0.7
88.98690	1.0
89.02319	6.0
93.03336	1.3
95.01280	1.2
96.95891	0.9
97.02831	0.9
97.06550	0.6
99.00760	3.2
99.04396	1.0
101.02319	15.0
103.03941	1.0
106.04113	0.6
107.01287	0.7
107.04942	0.7
108.02065	0.7
111.00793	1.1
111.04363	0.6
113.02330	10.8
113.03069	0.8
113.05939	0.6
119.03391	1.5
119.04903	2.9
121.02825	2.8
124.09357	0.6
125.02270	0.8
135.04427	1.0
136.05214	1.4
143.03438	1.6
149.02338	0.8
150.03235	0.7
150.06784	1.8
151.00270	3.3
152.01016	0.6
159.02945	1.8
160.04010	0.7
161.04462	9.7
163.03883	1.0
163.07487	0.7
164.04665	0.7
164.08403	0.6
165.09181	0.7
167.03329	0.6
179.05592	0.9
181.05022	0.7
190.02737	0.8
195.06494	0.8
195.13876	2.2
205.03409	0.7
205.05109	0.8
211.16397	0.5
214.78500	0.6
223.06168	0.9
239.12895	2.4
241.14415	4.6
245.08209	0.5
246.14055	0.6
265.09351	0.7
269.04614	1.6
271.06155	2.1
273.14813	2.6
285.04184	0.8
403.28693	0.7
433.11642	0.6
475.34210	2.3
477.21371	0.6
499.04102	0.7
519.33185	1.0
579.17072	2.7
622.32990	1.0
623.33429	4.8
637.39581	24.1
638.39709	5.3
681.38507	27.0
682.38617	5.3
697.37958	8.3
698.38104	1.6
741.40930	31.8
741.83276	0.8
742.41095	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.0
57.03327	2.7
59.01248	100.0
60.01583	0.9
61.98700	33.6
69.03346	0.7
71.01251	24.7
71.04891	0.8
71.52643	0.7
72.99181	2.2
73.02813	9.3
75.00747	1.3
81.03342	0.6
83.01250	3.8
83.04896	0.8
85.02826	10.2
86.03142	0.8
87.00774	2.4
88.98694	1.3
89.02319	4.9
93.03332	1.5
95.01279	1.7
95.04923	0.5
96.95911	2.2
97.02834	0.8
99.00745	3.2
99.04389	0.8
101.02320	17.0
103.03883	0.8
107.01312	0.8
107.04873	0.6
108.02112	0.7
111.00759	1.9
113.02325	10.9
119.03403	2.3
119.04938	1.9
121.02856	3.0
123.04447	1.2
123.08105	0.8
125.02355	1.6
131.03372	1.1
133.02789	0.6
135.04472	1.0
136.05170	1.3
137.02361	1.2
143.03455	1.4
149.02333	1.5
149.06026	1.0
149.09634	0.9
150.06764	1.6
151.00269	4.3
159.02936	1.9
161.04468	8.8
161.05913	0.8
163.04074	0.7
163.07578	0.6
165.09053	1.0
175.03975	0.5
179.05499	0.6
181.05046	0.9
190.02637	1.0
191.03360	0.7
193.04901	0.7
195.13884	2.4
205.05069	1.6
209.11797	0.7
211.13490	0.7
223.06105	1.1
225.11275	0.7
229.15857	0.6
239.12997	2.0
241.14407	3.4
245.08223	1.0
255.03159	0.7
263.12994	0.7
265.14609	0.8
269.04657	1.6
271.06189	3.3
273.14822	3.5
287.69818	0.6
417.15002	0.7
433.11508	1.0
439.31961	0.8
447.09213	0.6
456.97589	0.6
475.34250	2.7
477.21606	1.5
519.33459	1.1
579.16986	2.7
622.33380	1.3
623.33459	5.1
637.39502	26.6
638.39972	3.3
681.38428	28.4
682.38953	5.5
697.37958	9.3
698.39612	1.2
699.40637	0.7
741.41028	32.9
741.83337	0.7
742.41229	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65664	0.4
57.03308	2.0
59.01245	12.0
61.07344	0.4
61.98699	4.1
62.53255	0.4
69.15590	0.4
71.01252	3.9
72.00787	0.4
73.02824	2.4
73.03164	0.4
80.92023	0.4
83.01237	0.7
83.04906	0.8
83.70296	0.4
85.02809	2.1
87.00749	1.0
89.02307	1.2
93.03336	0.9
95.01209	0.4
96.00809	1.1
96.95833	0.4
98.20604	0.8
99.00758	0.4
99.04405	0.6
101.02332	2.6
106.45410	0.4
107.01218	0.5
107.04928	0.5
109.02774	0.7
110.50652	0.4
111.04371	0.5
111.08002	0.6
113.02311	1.4
119.03361	0.5
119.04887	1.0
121.02814	1.4
121.06445	1.4
122.03608	1.4
123.04418	0.6
125.02310	0.8
127.69153	0.4
128.03532	0.4
134.03654	0.5
135.04417	4.0
135.08037	0.5
136.05193	48.0
137.05659	1.5
145.06583	0.5
146.88777	0.4
147.02773	0.4
147.04390	1.2
147.07999	1.3
148.05182	1.0
149.02310	0.8
149.05978	10.4
150.06770	4.9
151.00256	1.3
151.07475	0.9
153.09073	0.8
157.08600	1.2
161.04387	0.7
162.06764	3.1
163.07465	1.3
164.04701	0.6
164.07059	1.1
164.08334	5.2
165.05463	0.6
165.09108	22.2
166.09387	1.3
169.12210	0.8
171.10155	0.5
179.07060	0.6
188.07097	10.5
190.02513	0.8
195.13808	0.7
209.11757	0.5
223.05899	0.5
229.16095	0.6
241.14413	1.7
242.31277	0.4
245.08156	2.5
263.20132	0.6
263.98587	0.5
271.06204	0.6
273.14908	1.8
281.21194	1.5
325.23770	0.4
327.21735	7.1
328.21985	1.1
414.28052	0.5
429.29990	2.0
430.30801	0.8
432.28766	4.4
433.29053	0.9
446.30225	1.5
447.24899	0.9
447.31097	15.4
448.31384	2.2
474.29965	1.4
475.30551	3.1
476.30966	0.7
477.21341	1.4
492.30914	2.5
493.31677	22.8
494.32132	3.3
579.16669	0.9
637.38983	1.1
655.36877	1.9
681.38440	1.4
697.37970	100.0
698.38330	22.8
741.41675	3.0
742.26819	0.8
742.41785	0.5
763.70172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	1.7
57.03323	7.5
58.00453	1.8
59.01248	46.0
61.98701	6.5
69.55856	2.5
69.56264	7.0
71.01251	31.9
71.34264	1.0
72.99156	3.1
73.02808	5.0
75.00741	2.3
76.23400	1.2
77.15179	1.2
83.01236	4.0
83.04874	1.9
83.51826	1.1
85.02818	25.6
86.76190	1.1
87.00742	3.6
89.02314	20.6
93.03332	8.1
94.13681	1.1
95.01272	3.7
95.83965	1.1
98.19836	2.5
99.00787	1.9
99.04366	2.1
99.24654	1.4
101.02324	19.4
103.03887	46.6
106.04115	11.4
107.01259	1.5
107.04915	3.0
108.02066	6.5
109.02814	3.9
111.00735	2.5
113.02322	12.1
117.03391	1.4
119.03400	6.6
119.04887	10.0
121.02820	5.1
123.04392	2.8
125.02322	1.5
134.03668	1.4
135.06485	1.6
137.02327	3.5
138.03166	1.7
143.03403	2.0
145.02832	1.8
145.04944	1.3
147.08105	1.5
149.02322	9.6
149.04387	1.6
149.05884	1.4
150.03130	1.6
151.00267	7.5
152.01056	8.8
153.01802	3.0
153.09021	1.7
159.08037	4.0
159.59547	1.1
161.04469	3.8
163.03905	5.0
164.04634	6.0
165.01810	2.8
165.05286	1.9
166.02621	1.6
167.03400	3.4
175.00262	5.6
175.03877	1.4
175.11095	2.1
179.05515	3.3
181.04904	2.4
182.02116	2.6
190.02649	12.2
193.05022	1.7
195.06500	3.2
195.13788	1.5
203.07086	2.6
205.05000	9.8
215.14326	4.0
217.15804	1.2
221.08211	1.4
223.06157	8.1
225.12688	2.2
227.14378	6.6
241.14346	4.4
245.15402	5.1
265.09274	78.4
266.09662	4.6
268.03748	7.0
269.04529	35.7
269.10397	2.6
270.04880	4.4
271.06033	5.0
271.13422	2.4
285.04263	2.3
287.16519	1.4
289.14459	56.3
290.14819	3.8
297.11865	5.3
303.16040	2.2
331.15457	36.7
332.15778	2.3
337.09198	2.4
361.16449	2.2
375.20154	1.8
391.17661	12.9
433.11313	2.0
471.18710	2.1
491.18713	1.3
519.22180	9.4
520.22803	2.0
534.44745	1.4
537.23364	100.0
538.23810	10.3
554.68781	1.4
577.15558	18.8
578.16309	3.0
579.16791	9.2
579.24640	3.8
741.30042	83.3
742.30341	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02541	0.5
54.39093	0.4
55.01729	1.0
57.03318	3.9
58.00465	1.2
59.01247	33.2
60.01563	0.7
60.63405	0.5
61.98690	2.0
71.01253	23.5
71.53040	0.7
72.99193	2.6
73.02814	5.2
75.00740	0.7
77.72399	0.6
82.90704	0.5
83.01239	1.9
83.04878	0.6
85.02819	20.9
87.00729	2.5
88.98616	0.6
89.02312	15.3
92.26718	0.5
93.03320	2.0
95.01234	0.7
99.00736	1.2
101.02317	16.5
103.03886	36.1
105.01917	0.5
106.04129	3.9
107.04885	1.2
108.02061	0.7
113.02320	8.9
114.02640	0.6
117.05485	0.8
119.03404	6.6
119.04871	2.2
121.02859	1.0
124.01521	0.7
125.02303	0.9
137.02303	0.8
143.03497	0.8
143.04880	0.9
145.04922	0.6
149.02325	2.0
149.04341	0.6
150.03093	1.6
151.00288	1.5
159.08066	4.6
161.04422	1.5
164.04659	0.7
175.11153	1.1
179.05463	1.1
182.02112	0.7
190.02635	1.2
195.13826	0.8
203.07028	1.6
204.86028	0.6
205.04930	1.3
215.14278	0.6
223.06026	1.4
225.12311	0.6
227.14314	2.0
229.15894	2.1
241.14149	0.7
245.15468	3.0
247.08159	0.8
265.09265	47.3
266.09647	1.7
269.04388	1.4
270.05075	0.7
271.06277	0.7
271.13483	3.0
273.14883	3.2
289.14395	2.5
313.14334	0.9
315.15985	2.2
331.15442	1.2
372.22360	0.6
389.19653	1.1
407.20786	2.5
408.21249	0.7
433.18658	4.0
451.19727	6.0
452.20383	0.8
461.28934	0.7
475.19656	7.9
493.20807	12.3
494.21289	1.2
535.21783	7.7
536.22070	1.6
565.22516	0.8
579.16943	1.2
595.23895	2.4
600.43945	0.6
681.27460	1.2
681.38538	1.8
699.28723	1.0
741.29663	100.0
742.17468	1.0
742.30090	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	741.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.4
58.00461	1.8
59.01247	38.5
61.98699	3.5
65.00172	0.9
71.01252	22.6
71.52715	1.2
72.99167	2.4
73.02823	5.5
75.00744	1.0
83.01243	2.7
83.04838	0.8
85.02820	21.6
87.00742	2.7
89.02311	14.8
89.77020	0.8
90.98492	0.8
93.03313	2.2
95.01235	1.4
96.95867	1.0
99.00748	1.1
101.02320	13.8
103.03884	33.0
104.04206	0.9
106.04114	3.5
107.04878	1.3
108.02028	1.2
111.18031	0.7
113.02327	7.9
119.03385	7.2
119.04874	2.5
121.02825	1.8
123.04419	0.9
125.02309	1.2
133.02823	0.9
133.34625	0.8
137.02306	1.3
149.02325	1.9
150.03137	0.8
151.00246	2.9
159.08051	3.4
161.02351	1.0
161.04443	1.0
163.03889	0.9
179.05450	1.4
182.02112	1.0
190.02609	1.2
199.33791	0.8
203.06967	1.8
205.04997	1.5
223.06032	1.5
227.14417	1.9
229.15892	2.3
239.12773	0.9
245.15440	2.8
247.08290	0.9
264.13718	0.8
265.09277	43.2
266.09540	2.1
269.04486	2.5
271.06140	1.8
271.13333	2.4
273.14902	3.3
284.02933	0.9
289.14383	2.2
313.14615	1.5
315.16058	1.9
331.15619	1.1
407.20752	2.8
418.68088	0.7
433.18597	5.0
451.19614	5.9
461.29156	0.8
475.19754	8.0
476.19647	1.1
493.20880	11.4
519.22339	1.3
524.62677	0.9
535.22028	7.4
536.22168	1.2
565.23071	1.1
579.17255	1.9
595.23993	2.1
623.34180	1.2
681.27881	1.6
681.38702	4.2
741.29718	100.0
742.29999	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.8
55.14919	0.4
57.03321	1.3
58.00468	0.7
59.01249	27.9
61.98683	1.6
65.00184	0.9
69.03329	0.7
69.17592	2.7
69.18017	2.4
71.01254	16.3
72.99174	1.4
73.02824	11.1
75.00724	0.5
83.01260	4.1
85.02816	8.2
87.00745	1.5
89.02323	5.7
93.03329	3.0
95.01243	1.9
97.02825	0.7
98.19849	1.0
99.00734	1.8
99.04372	0.5
101.02317	9.9
103.03874	3.3
106.04110	5.2
107.01263	1.1
107.04880	1.4
108.02031	1.4
109.02863	0.7
113.02332	6.9
119.03368	2.1
119.04897	3.0
121.02834	1.8
123.04427	0.6
125.02354	2.3
131.03322	0.5
133.02870	0.8
134.03592	0.6
135.04405	1.7
137.02385	0.9
138.03069	0.7
143.03394	0.7
143.04884	0.5
149.02339	1.8
150.03119	1.2
151.00250	3.4
152.01105	0.5
159.08044	3.2
161.02342	2.8
161.04434	0.9
163.03920	2.0
164.04652	1.5
165.01813	0.6
165.05463	0.5
175.00267	1.6
175.11218	0.7
179.03439	0.9
182.02060	1.4
190.02657	2.9
203.07176	0.8
205.04999	3.2
215.14371	1.2
223.06050	1.6
225.12836	0.9
227.14438	3.5
229.15993	2.7
245.15388	4.3
265.09293	4.1
269.04572	0.8
271.06143	2.3
271.13440	4.7
273.14929	4.6
284.03015	0.6
285.04208	0.9
289.14462	2.7
309.11765	0.6
313.14566	1.1
315.15848	0.7
346.24573	0.5
375.03857	0.5
389.19516	1.6
407.20599	4.2
433.13037	0.9
433.18637	5.9
434.19019	0.7
447.09213	0.5
449.22052	0.9
451.19672	11.7
452.20139	1.3
475.19751	11.4
476.19925	1.5
493.20776	100.0
494.21072	13.5
535.21936	7.1
536.22119	1.4
565.22601	0.7
579.16827	2.8
637.24902	1.0
681.27899	0.6
697.26819	9.0
698.27228	1.9
741.30243	13.5
742.29926	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	741.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.3
60.39926	0.2
63.02265	1.1
65.00192	7.0
66.00548	0.2
69.03339	0.2
70.69260	0.3
71.01263	0.7
72.99159	0.2
73.02824	0.5
79.86908	0.2
80.02548	0.3
81.03334	0.3
82.47246	0.2
83.01252	4.7
85.02795	0.4
87.00737	0.2
89.02321	0.4
90.38846	0.1
93.03326	3.5
96.50500	0.2
97.02797	0.3
101.02316	0.7
107.01266	13.0
108.02109	1.3
108.99184	0.2
109.02859	0.3
113.02328	0.3
116.68253	0.1
117.03348	0.7
119.04908	18.5
120.05252	0.7
121.02825	0.4
123.00726	0.3
124.01564	0.4
125.02309	3.0
126.02704	0.2
132.57567	0.1
133.02863	0.2
135.00755	0.2
136.01538	1.3
137.02234	0.3
143.04944	1.9
145.02837	3.2
149.02309	0.3
151.00269	57.1
152.00595	2.2
153.01869	0.2
161.04683	0.2
161.05971	0.8
163.03899	0.2
164.01060	4.4
165.01839	3.2
169.01306	1.4
171.04453	0.4
172.05229	0.3
173.06050	0.2
175.00284	1.3
177.01842	4.7
178.02185	0.3
182.24103	0.2
183.04456	0.3
183.08109	0.2
185.05998	2.3
187.03903	1.2
188.04308	0.2
193.01355	1.7
196.00073	3.4
197.00288	0.2
197.06010	0.3
198.06619	0.4
199.07559	0.2
203.07080	0.5
205.01352	0.6
217.01302	0.2
225.05547	0.4
227.07057	3.1
228.07481	0.2
229.04941	0.5
235.02448	1.3
237.15192	0.2
241.05087	0.8
242.05650	0.3
267.06534	0.3
269.04468	1.3
270.05286	3.6
271.06107	39.5
272.06470	3.2
295.05899	0.6
313.07104	2.6
314.07684	0.2
317.10754	0.2
325.07169	0.2
339.07242	1.0
357.08356	0.2
373.09131	0.4
433.11310	8.2
434.11539	0.9
457.10928	0.2
459.11502	6.0
460.12155	0.6
475.12421	0.4
579.17126	100.0
580.17462	15.6
621.18732	0.2
741.22375	5.8
742.22620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03278	1.0
59.01245	5.4
66.10809	0.9
66.74984	0.7
69.03297	1.4
69.21915	7.4
69.74034	0.8
71.01237	7.0
72.34048	1.0
73.02792	3.0
81.03317	0.9
83.01237	0.9
85.02811	6.1
93.03310	2.3
95.01230	3.5
97.02864	1.3
99.00707	1.0
101.02325	4.1
107.01235	3.9
108.02044	77.0
109.02837	40.2
110.03165	1.3
111.00761	1.0
113.02309	3.8
114.16071	0.8
119.04957	4.2
121.02854	7.4
123.00771	2.9
123.04348	1.7
125.02316	2.8
135.00771	9.0
135.04388	1.5
137.02324	2.5
139.03914	0.9
149.02347	14.9
150.02922	1.0
151.00215	5.1
151.03882	3.9
152.01051	100.0
153.01837	42.5
154.02122	2.5
161.04388	1.4
163.03920	5.4
165.01906	4.7
166.02612	1.8
167.03406	11.0
175.07492	1.0
177.01778	1.5
181.04939	1.2
191.03490	4.2
195.02896	16.0
203.07045	1.2
210.00737	0.9
217.08528	2.1
225.03981	1.2
245.08173	10.5
246.08575	1.1
263.09238	4.8
269.04541	2.9
270.04755	1.3
271.06049	10.2
272.06381	1.6
279.76312	0.9
315.07184	96.8
316.07510	7.5
329.08817	2.1
357.08224	20.9
358.08252	1.6
387.09274	2.7
417.10394	8.7
561.15930	20.3
562.16211	3.1
579.17126	41.2
580.17590	6.7
741.22345	71.9
742.22705	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	741.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04720	0.9
57.03306	1.2
59.01252	5.6
61.20898	1.0
61.98680	1.3
63.02258	3.3
65.00188	21.5
69.63615	5.4
71.01241	2.1
73.02790	1.2
81.03311	1.7
83.01253	10.7
83.88564	0.9
85.02793	1.6
89.02288	1.2
93.03326	6.5
99.00755	1.2
107.01260	28.2
108.02040	1.7
109.02834	1.5
113.02304	1.1
117.03342	1.5
119.04903	40.2
120.05254	1.1
121.02844	1.5
124.01580	1.0
125.02326	10.4
143.04936	1.4
145.02861	5.3
149.02338	1.6
151.00264	100.0
152.00620	3.8
165.01886	5.9
169.01385	4.6
175.00311	1.2
177.01857	7.1
185.05972	2.6
187.03853	2.8
193.01518	1.2
227.07060	3.6
237.57832	1.0
249.96089	1.0
269.04453	2.2
270.04974	1.5
271.06110	44.4
272.06421	3.3
284.03311	1.6
285.03802	3.1
286.04169	2.9
313.07245	1.2
339.07138	1.3
381.36276	1.1
459.12808	1.3
579.16534	1.5
621.16345	7.5
741.22357	92.2
742.22668	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	741.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.2
61.98700	52.6
62.98401	0.4
63.99126	0.5
69.72865	2.2
71.01257	0.6
73.82154	0.3
77.03831	2.8
93.03327	0.4
96.95876	0.6
98.19807	0.4
105.43706	0.5
121.02839	100.0
122.03181	3.0
133.58838	0.3
137.02393	0.4
139.17624	0.3
151.11241	0.3
165.01836	77.7
166.02180	3.5
175.03847	0.4
175.77547	0.3
180.05727	0.8
181.06509	2.6
191.03394	1.5
195.63741	0.3
198.17651	0.3
209.11771	2.1
210.12056	1.1
211.13304	1.3
212.13724	0.5
225.05496	1.3
253.09323	0.4
293.21249	0.8
294.21310	0.8
309.20728	0.4
313.07114	1.7
357.06128	10.4
358.06482	1.3
374.75671	0.3
529.13116	0.4
549.10199	0.4
602.06561	0.3
709.32831	0.4
741.14447	5.9
742.15228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.8
57.03312	1.7
57.85937	0.8
58.22352	0.8
59.01248	77.4
60.01591	0.9
65.00179	0.9
69.03322	0.8
69.51649	0.8
71.01250	11.6
71.52295	1.2
72.99181	1.8
73.02823	4.6
74.00549	0.7
83.01247	2.3
85.02815	12.3
87.00748	1.4
89.02319	4.0
93.03329	14.4
95.01270	1.4
96.95872	2.8
97.02796	0.8
99.00774	0.9
101.02312	11.1
103.03886	11.1
108.02069	1.3
111.00755	1.1
113.02319	5.4
119.03379	1.9
119.04898	2.7
121.02850	1.4
123.04379	1.1
125.02307	1.9
136.01584	3.3
137.02342	35.0
138.05449	1.3
143.03342	1.0
149.02324	2.8
150.03185	0.8
151.00285	3.0
151.03888	2.5
152.00974	1.3
159.02925	0.8
159.04373	1.1
160.03941	1.4
161.04472	4.1
163.03879	1.5
164.04640	1.0
165.05531	0.9
166.02588	1.1
167.03467	1.0
179.03413	18.4
179.05278	0.9
180.03816	1.3
181.05045	1.8
190.02623	1.0
191.03398	1.5
193.04968	1.6
205.05031	1.5
207.76268	1.0
209.04504	2.0
209.75092	0.8
224.06966	0.8
239.05608	10.5
265.09262	23.7
266.09506	1.1
269.10266	9.0
271.02533	1.0
271.06049	2.5
281.06644	2.5
283.08347	0.8
300.02490	1.1
301.03491	1.1
311.11359	5.9
327.08636	0.7
353.08456	0.8
367.10223	1.3
385.11359	100.0
386.11676	7.8
417.15509	3.6
433.11459	1.1
465.09521	1.1
579.16962	1.3
621.17517	1.2
627.14606	2.3
651.19061	2.1
741.22998	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	740.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.6
60.01580	0.3
60.97890	0.1
61.01667	0.2
61.98699	100.0
62.98381	0.2
70.43388	0.1
70.54356	0.4
71.01243	0.2
72.19700	0.1
78.79299	0.1
83.53120	0.1
85.02862	0.1
113.02322	0.2
171.36649	0.1
171.51640	0.1
175.03848	0.1
199.13249	0.1
209.11810	0.5
211.13295	0.3
227.07112	0.5
227.12833	0.3
228.07405	0.4
229.07669	0.2
245.08168	0.6
246.08472	0.6
247.08766	0.3
265.05542	0.1
277.21689	0.2
293.21237	0.3
348.15472	0.1
545.83331	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72187	0.3
59.01246	8.4
59.07101	0.2
60.01584	0.9
61.01672	0.8
61.98700	100.0
63.99141	0.6
68.25773	0.2
70.06699	0.6
70.07104	0.5
71.01254	0.4
73.02845	0.2
77.56833	0.2
83.04913	0.2
100.67320	0.2
121.02850	0.6
138.00945	0.2
144.70023	0.2
152.99483	0.3
158.94298	0.2
165.01912	0.2
195.13890	0.2
209.11714	1.9
210.12126	0.4
211.13379	0.6
212.13577	0.3
245.08247	0.5
246.08673	0.3
293.12717	0.2
293.21280	0.9
294.21570	0.3
306.75641	0.2
576.23779	0.2
577.23358	0.3
578.24164	0.7
593.67267	0.3
639.86414	0.3
654.42676	0.3
695.44171	0.8
696.43549	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	15.0
60.01580	2.0
61.01669	1.1
61.98699	100.0
62.98397	0.5
63.99124	1.7
69.25565	2.7
71.01266	0.4
71.52814	0.2
83.04903	0.4
89.02303	0.3
91.64857	0.2
93.96023	0.2
101.02341	0.4
113.02317	0.3
161.04475	0.3
165.12814	0.4
195.13841	0.3
209.11768	9.1
210.12044	2.2
211.13344	2.7
212.13702	0.8
227.12895	1.1
228.13225	0.3
231.33824	0.3
253.09361	1.6
275.20251	0.4
291.19632	0.4
293.21213	4.5
294.21536	1.7
309.20709	0.9
310.21280	0.5
392.48553	0.3
415.98737	0.3
490.00098	0.3
512.85785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.37
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.8
61.98697	100.0
62.98403	0.3
68.70152	0.2
68.73306	0.2
71.00815	0.4
71.01233	0.3
73.02803	0.2
73.57316	0.2
78.59093	0.2
89.02341	0.2
101.02339	0.3
171.10176	0.2
209.11809	0.6
211.13292	0.2
240.76006	0.2
279.23334	0.4
280.23645	0.5
281.23709	0.2
397.19409	0.2
398.13931	0.5
399.14105	0.5
762.00006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.5
61.98700	100.0
71.01241	0.2
71.15672	0.1
73.19030	0.1
76.14228	0.1
98.33083	0.1
101.02332	0.2
113.02314	0.1
128.25339	0.1
171.54211	0.1
209.46922	0.1
211.13426	0.2
253.09454	0.1
279.23303	0.2
280.23700	0.3
281.23947	0.2
310.21097	0.1
397.13431	0.2
398.13916	0.2
399.14279	0.3
403.88452	0.1
419.91928	0.1
495.47684	0.1
559.69421	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.6
60.01601	0.1
61.98700	100.0
62.98394	0.1
64.24043	0.1
71.01261	0.3
73.02819	0.1
83.04906	0.2
85.02840	0.1
89.02322	0.1
89.50085	0.1
93.03362	0.1
101.02341	0.1
102.04504	0.1
108.02033	0.1
111.00771	0.1
119.04919	0.1
129.01875	0.1
151.00183	0.1
152.01070	0.1
163.03943	0.1
164.04630	0.1
166.43289	0.1
167.03513	0.1
225.16116	0.1
265.09232	0.1
342.95563	0.1
389.10419	0.1
493.21896	0.1
502.43350	0.1
538.99011	0.1
678.50427	0.2
679.50171	0.6
680.50507	1.5
681.51208	0.1
697.21460	0.1
740.49207	1.3
740.61414	0.1
741.50122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83067	0.2
55.07638	0.2
57.03320	0.3
59.01249	100.0
60.01587	0.9
61.98701	2.2
70.81979	0.4
71.01259	1.7
73.02828	0.5
75.00718	0.3
78.95728	0.2
83.01278	0.5
85.02834	0.6
87.04383	1.8
89.02296	0.3
91.08780	0.2
99.00825	0.2
101.02331	1.0
111.00787	0.3
113.02331	0.9
119.03416	0.2
119.04931	0.3
121.02875	0.2
156.07846	0.2
161.04489	0.3
171.10132	0.3
254.37688	0.2
269.04593	0.5
279.23196	0.3
280.23938	0.3
563.39844	0.5
619.42267	0.4
623.41479	1.2
635.41125	0.4
637.43390	0.5
679.44202	0.6
695.43542	1.2
696.42896	0.2
739.31366	0.4
739.48444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
61.98379	1.8
61.98701	32.5
69.17961	5.6
69.18385	6.3
71.01258	8.3
72.77404	1.1
73.02818	3.1
75.00711	1.5
78.95775	2.5
79.95613	1.7
80.96391	2.1
82.95945	1.1
83.01266	2.1
85.02842	5.0
87.00747	1.2
88.98624	1.1
89.02312	2.1
96.95889	7.8
98.19788	2.7
101.02302	4.8
109.89351	1.0
113.02357	2.8
116.32859	1.0
121.06357	1.1
169.12236	1.0
203.43558	1.0
209.11757	2.5
210.12065	1.1
211.13380	1.1
246.08438	1.2
269.04434	2.1
279.23392	1.1
554.18732	1.1
563.39636	6.1
619.41876	4.5
623.41510	10.3
635.41760	1.4
638.43677	1.6
679.43994	7.7
695.41962	7.0
696.43262	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
57.03319	2.8
58.00474	0.8
58.02845	10.6
59.01249	29.5
69.03325	14.7
69.18596	3.2
70.02851	3.3
70.03668	0.5
71.01250	5.7
72.00774	2.2
72.99175	0.4
73.02813	5.0
75.40852	0.3
83.01277	1.5
84.72443	0.4
85.02820	3.6
87.00734	0.7
87.04386	2.8
89.02317	1.9
91.05441	1.2
97.02829	0.7
101.02312	5.8
103.03899	0.3
107.01227	0.3
109.06467	0.6
111.03723	0.3
111.04420	0.9
113.02311	2.6
119.03389	0.9
119.04916	0.7
121.14458	0.3
123.08031	0.5
125.02325	0.6
125.05914	0.4
131.03419	0.5
131.29486	0.3
135.04419	0.6
135.08061	0.4
137.09616	0.4
138.06773	5.4
143.03415	1.2
147.04422	13.9
147.05592	0.8
147.08093	0.4
147.49225	0.4
148.04684	0.5
149.04497	0.9
151.00284	1.2
153.09116	16.6
154.09393	0.6
161.04457	3.3
163.11226	1.0
164.07086	39.2
165.07399	1.9
179.05544	0.8
181.12073	0.4
187.11226	0.6
203.05519	2.2
205.12297	3.7
206.08163	63.6
207.08469	3.0
211.13359	0.7
223.13365	4.1
231.08585	2.0
241.14412	100.0
242.14754	6.9
250.07137	0.7
269.04443	1.9
270.04880	0.9
271.06097	1.1
385.18594	4.0
403.19635	1.3
445.20712	13.9
446.21228	2.1
461.45114	0.4
578.15967	0.7
579.17010	1.7
741.22833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58250	1.1
57.22083	1.2
58.00470	1.5
59.01249	12.6
59.73606	1.2
61.98699	8.5
63.32262	1.1
67.38393	1.1
71.01258	11.2
71.04887	2.2
73.02800	1.3
75.00728	2.2
80.62019	1.1
83.04901	1.7
85.02805	2.2
87.00734	2.0
89.02306	2.7
95.04857	1.3
96.95838	1.8
97.02802	5.1
97.06406	1.5
98.19891	4.7
98.20582	2.6
99.00762	11.8
101.02300	5.1
101.43478	1.3
103.00244	1.6
103.03870	2.2
109.06394	1.6
113.02351	1.8
125.09591	5.9
127.11146	2.2
163.11206	9.0
171.10167	13.9
181.12270	16.5
197.11754	3.2
199.13315	23.3
200.13643	2.4
207.08354	2.5
207.10172	31.4
208.10577	1.7
225.11267	63.6
226.11603	4.1
243.12317	12.3
243.94167	1.6
253.09207	6.2
277.21710	63.6
278.22107	4.4
279.23260	1.9
281.24921	1.7
461.20044	10.5
462.20212	1.9
479.21292	2.8
528.99896	1.3
552.63971	1.4
721.41669	5.5
722.42590	1.5
739.42639	100.0
740.43060	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10984	1.1
59.01247	7.2
61.98695	8.7
71.00542	2.5
71.01254	6.2
87.00758	1.2
89.02324	3.0
95.04900	1.5
101.02287	2.5
109.06489	3.2
113.02316	1.1
115.25605	1.0
125.09635	1.1
125.96069	1.2
127.11206	1.2
128.89334	1.0
131.49979	1.0
138.32790	1.0
163.11177	2.6
171.10170	100.0
172.10521	4.2
178.26775	1.1
181.12254	1.3
189.09050	1.2
197.11722	1.8
199.13326	2.2
207.10178	9.5
225.11259	36.6
226.11754	1.7
235.08131	2.2
243.12323	3.4
247.81587	1.1
253.09241	8.5
277.21704	73.4
278.22052	6.8
377.27475	1.0
407.19101	3.6
443.19162	3.1
461.20245	7.1
671.09869	1.4
721.41766	2.4
739.42554	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	739.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.3
57.03316	2.8
59.01242	15.2
60.06910	1.0
61.98697	25.7
69.03326	1.2
71.00495	1.7
71.00840	1.4
71.01247	24.0
71.04888	5.5
73.02811	2.8
78.95753	2.5
79.95616	2.0
81.03330	1.5
83.01257	1.0
83.04868	1.8
85.02799	2.6
87.00742	2.8
89.02319	5.2
95.01254	0.9
95.04882	1.7
96.95883	40.3
96.96833	2.2
97.02802	2.9
97.06453	4.6
99.00744	21.7
101.02327	6.9
109.06448	2.4
110.03635	1.1
113.02299	3.4
119.03392	2.0
123.08009	1.6
125.09607	9.5
135.08041	1.9
137.94463	1.0
142.02599	1.1
145.04976	1.4
145.10124	1.7
161.04468	1.7
161.09726	1.1
163.11189	13.4
171.10182	18.3
176.84576	0.9
179.05588	1.2
181.12262	23.4
182.12537	1.2
197.11760	1.0
199.13310	8.6
201.11235	1.8
207.10204	30.7
209.11876	1.0
211.13481	1.0
225.11258	39.7
226.11568	2.6
235.08057	3.3
243.12321	12.6
253.09262	4.9
277.21704	55.0
278.21970	5.8
281.24774	7.1
293.21112	2.0
306.97284	0.9
324.71219	1.1
397.13495	8.9
415.14679	1.8
461.20401	5.8
479.21222	3.9
550.52789	1.0
721.41193	1.4
739.42645	100.0
740.42993	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	739.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.2
57.03308	2.1
59.01250	8.5
61.98703	17.9
65.33856	0.9
70.91157	2.0
71.01251	20.8
71.04881	4.4
73.02807	2.1
78.95763	3.7
79.95591	3.0
81.03297	1.2
83.04883	0.9
85.02824	1.8
87.00720	2.0
89.02302	4.1
95.04896	1.3
96.95885	100.0
96.96854	3.9
97.02805	2.6
97.06459	3.2
99.00159	1.5
99.00758	15.8
101.02294	3.7
101.70555	1.0
109.06469	2.8
110.03678	1.0
113.02307	3.5
123.08076	1.9
125.09599	10.1
143.03476	0.9
161.04359	1.1
163.11214	12.4
171.10182	14.1
174.76186	0.9
179.10634	1.0
181.12268	19.7
182.12462	1.2
197.11751	1.0
199.13347	6.4
201.11232	2.9
207.10207	23.1
208.10516	1.6
211.13454	1.0
212.24359	1.0
222.11520	1.2
225.11253	38.4
226.11560	2.7
235.08182	1.7
243.12338	15.7
252.35231	1.2
253.09422	4.6
254.53395	1.0
277.21698	50.1
278.22195	5.6
278.24588	1.1
279.23145	1.4
280.23767	1.2
281.24771	3.6
293.21240	1.8
397.13660	5.7
461.20407	5.9
479.21451	4.5
721.41937	1.4
739.42664	99.1
740.42859	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	739.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.1
59.01246	15.4
69.41463	1.2
69.41881	0.7
71.01241	2.1
72.99196	0.3
73.02813	0.8
83.01247	0.4
83.04893	4.9
85.02814	2.6
87.00777	0.4
89.02311	1.8
93.03304	0.5
96.95908	0.2
97.06462	3.9
101.02312	2.0
103.03892	4.0
107.04904	0.3
111.00755	0.3
113.02286	0.8
117.03353	0.9
119.03347	0.7
119.04916	2.2
123.04368	0.3
123.08044	0.6
133.06464	0.6
135.04410	0.3
137.09625	1.4
139.11147	0.7
140.79385	0.3
145.02852	5.3
149.09622	0.9
151.11153	0.5
160.04016	0.3
161.04504	0.4
161.05972	0.8
161.09695	0.4
163.03914	2.9
163.11198	6.1
164.11514	0.3
165.12810	1.3
167.03375	0.3
167.14348	0.7
177.05461	0.6
177.12770	0.9
179.14305	3.8
180.14769	0.2
190.02702	0.3
195.13823	18.3
196.14159	0.9
197.15305	0.4
205.04979	1.0
218.86665	0.3
223.13335	17.7
224.13676	1.3
235.06015	0.3
241.14403	100.0
242.14752	6.6
265.09296	11.9
266.09540	0.4
269.04800	0.6
283.15482	44.8
284.15826	3.5
411.12915	21.6
412.13358	2.0
426.36343	0.3
443.22556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	8.3
61.98705	10.7
71.01244	6.3
78.95753	1.1
79.96404	0.9
85.02808	1.1
87.00795	1.1
89.02313	3.2
95.04897	2.1
97.02791	1.6
101.02307	3.9
109.06467	1.8
113.02309	1.5
119.03378	1.3
123.14514	0.9
125.09612	1.8
127.11196	2.2
137.02625	1.0
152.99471	1.2
157.15959	1.0
161.04411	2.2
163.11211	2.6
171.10175	100.0
172.10492	2.9
179.05505	1.2
181.12260	2.2
189.09119	1.8
197.11783	2.0
199.13358	1.3
201.11179	0.9
207.10252	8.4
225.11267	37.9
226.11688	2.2
235.08095	3.7
243.12346	2.3
253.09299	7.1
277.21707	76.8
278.22061	8.0
279.23257	1.5
407.19223	2.4
413.27542	1.0
443.19266	1.6
461.20358	7.0
721.41760	2.5
739.41779	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	739.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02615	0.3
53.01059	0.3
55.01744	0.4
57.03325	6.9
58.00465	0.7
59.01247	35.3
60.01584	0.4
60.99083	0.3
61.98704	3.3
62.46509	0.3
69.03316	0.4
71.01250	16.7
71.04883	0.7
71.53494	0.5
72.99178	1.7
73.02814	4.5
75.00722	0.6
83.01232	1.9
83.04922	0.4
85.02819	21.3
85.99947	0.4
86.03137	0.5
87.00752	1.9
87.04400	0.4
88.98679	0.6
89.02306	3.6
93.03330	1.9
95.01254	1.5
96.95882	1.8
97.02834	0.8
97.77523	0.3
99.00731	1.3
99.04401	0.9
101.02318	7.4
103.03883	29.2
104.04214	0.8
105.33502	0.3
106.04121	1.1
107.01236	0.5
107.04881	1.2
108.02038	0.5
111.00736	1.1
113.02322	4.8
116.92710	1.2
119.03368	1.2
119.04886	2.1
119.08486	0.3
121.02807	1.2
123.04375	0.5
124.01529	0.7
125.02312	1.0
125.05929	0.4
135.04431	0.7
135.08032	0.4
137.02356	1.9
137.09544	0.4
138.03156	0.4
143.03340	0.7
143.04918	0.4
145.04967	0.8
149.02286	1.5
149.09618	0.4
150.03209	0.5
151.00267	1.2
153.09102	0.7
157.04942	0.8
157.06479	0.9
159.02858	0.4
159.08046	1.0
160.03903	0.5
161.04428	0.8
161.05881	0.4
163.03894	0.8
164.04678	0.8
165.05452	0.5
166.02612	0.4
171.10121	0.7
173.09579	0.7
179.05537	0.5
179.06993	0.4
181.04935	0.5
182.02098	0.4
183.08232	0.4
187.11078	0.5
190.02654	0.8
191.01724	0.5
195.13797	0.5
201.05568	0.5
203.07079	0.6
205.04961	0.9
211.13295	0.4
223.05991	0.8
225.12828	3.4
227.14333	2.1
228.05672	0.4
229.12160	0.4
239.12779	1.4
241.14389	0.5
243.13902	2.4
247.08160	2.1
255.12270	0.8
257.15561	0.5
265.09293	1.8
268.03592	0.5
269.04495	2.1
269.11874	1.9
269.14404	0.4
269.64059	0.3
271.05920	1.0
271.13370	3.3
283.13394	0.5
285.03986	0.6
285.14944	1.3
287.12912	3.0
287.22394	0.5
298.46182	0.4
313.14426	1.4
329.13959	0.4
341.23184	0.8
387.17972	0.7
405.19473	1.5
405.24286	0.5
431.11420	0.7
431.17062	9.7
432.17322	0.9
445.18512	1.1
447.26285	1.8
449.18109	12.5
450.18375	1.5
463.19754	2.9
464.19672	0.5
473.18137	4.1
482.74933	0.3
491.19122	11.6
492.19348	1.2
505.20688	1.5
533.19989	2.8
534.18201	0.9
572.62128	0.4
577.15234	1.0
621.31134	0.4
635.39716	0.7
679.25928	1.0
679.37122	0.5
695.34174	0.4
697.26929	0.8
739.27930	100.0
740.28314	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	739.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01789	0.5
57.03323	2.1
58.38815	0.4
59.01248	9.0
61.98732	1.3
62.71524	0.4
63.02288	1.6
63.45998	0.4
65.00192	5.6
68.99716	1.1
70.99242	0.4
71.01248	6.7
71.53292	0.7
72.99200	0.9
73.02812	2.0
73.37225	0.4
75.00757	0.6
80.02573	0.5
81.03388	0.6
82.32806	0.4
83.01266	5.4
85.02822	8.3
85.03286	0.5
87.00774	1.3
89.02308	2.8
93.03324	2.1
95.01296	0.9
97.02855	0.8
99.00796	0.7
100.74933	0.4
101.02324	4.6
103.03912	2.0
103.85890	0.4
106.51431	0.4
107.01279	7.5
107.01949	0.6
108.02075	2.6
109.02905	0.7
111.00799	1.7
111.04421	0.6
113.02330	2.2
117.03398	0.8
119.01245	0.7
119.03483	0.7
119.04900	5.4
121.02881	1.2
122.06036	0.9
123.00799	0.9
123.04440	1.8
124.01566	0.8
125.02342	2.7
129.01874	1.6
133.02917	1.1
134.03680	1.3
135.04478	0.7
136.01552	3.8
137.02402	1.5
145.02779	0.5
147.04454	0.5
149.02357	2.9
151.00276	19.2
151.03749	0.4
152.00945	0.8
152.07100	1.4
153.01840	1.1
153.07523	0.5
159.04437	1.0
160.03969	1.1
160.05215	0.7
161.02431	0.8
161.04486	1.0
163.03920	2.9
164.01068	12.7
164.04720	1.9
165.01765	0.7
165.05437	0.5
167.03412	3.2
169.01410	0.7
173.00842	0.7
175.00319	2.6
175.03909	0.9
175.07567	4.9
177.01854	1.2
183.04590	0.7
184.05208	1.1
186.03120	3.4
187.03915	1.2
187.99187	0.5
190.02626	5.8
191.01936	0.7
191.03490	1.0
193.05014	1.4
195.13788	0.5
196.00064	11.6
197.06039	1.3
198.06775	2.5
199.07512	2.5
200.04649	0.5
201.05504	3.2
202.06293	0.8
205.05026	4.0
206.49657	0.4
209.04436	0.5
211.07780	0.6
213.05510	0.6
215.07088	0.6
217.08592	2.4
221.06516	0.7
223.06003	2.4
225.05634	1.3
226.06274	3.4
227.03671	0.6
228.04233	1.0
230.78351	0.4
237.09393	0.6
239.10805	0.6
241.04915	1.6
241.08696	6.9
242.05807	0.5
242.09071	0.4
243.06598	4.2
248.88995	0.5
256.07312	0.8
265.09320	1.7
268.03854	1.0
269.04575	6.1
270.05301	10.5
271.06000	1.0
283.05981	0.7
283.13455	0.5
285.07666	100.0
286.08017	7.5
294.05234	0.5
309.07642	0.6
327.08829	1.2
328.12848	0.6
329.87006	0.5
340.59485	0.4
353.10489	0.6
367.92374	0.5
417.15851	0.5
417.21127	0.8
473.14471	2.5
521.23889	0.8
535.19843	0.5
551.15576	0.9
577.15173	1.2
674.24921	1.2
675.25299	1.2
695.28748	0.6
707.27142	0.8
739.24176	82.0
740.24567	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	739.2091
Annotation	Apigenin 7-O-(2G-rhamnosyl)gentiobioside
Peak:m/z	Relative Intensity
58.78779	0.1
59.01236	1.1
63.01989	0.2
63.02251	0.7
65.00217	0.4
70.85313	0.2
70.85665	0.3
71.01252	0.4
71.03334	0.1
74.98692	0.1
75.61520	0.1
83.01256	0.2
85.02805	0.3
89.02319	0.4
91.13647	0.1
93.03342	0.2
101.02333	0.3
107.01264	0.7
111.00824	0.2
113.02353	0.3
117.03327	1.7
119.03377	0.2
121.02851	0.2
135.04410	0.2
143.54070	0.2
148.01622	0.2
149.02321	0.6
151.00258	0.9
157.06429	0.2
159.04431	0.7
161.02353	0.4
161.04396	0.2
169.06541	0.2
171.04285	0.2
175.03937	0.2
183.04430	0.4
184.04918	0.2
196.05222	0.3
197.06013	0.4
198.37785	0.1
199.03967	0.2
200.04666	0.2
201.05478	0.4
206.08025	0.2
211.03925	0.4
224.04759	0.3
225.05652	0.7
227.03447	0.4
239.03455	0.8
240.04253	1.0
267.03033	0.3
267.06686	0.1
268.00760	0.4
268.03754	20.1
269.04523	100.0
270.04874	7.5
281.04712	0.7
283.06088	0.5
293.04541	0.2
309.03885	0.2
310.36569	0.1
311.05606	2.5
313.11404	0.6
413.08575	1.0
414.08975	0.2
431.09781	1.2
577.15564	64.0
578.15912	9.7
579.16296	0.2
583.19775	0.2
739.20831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2088
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
59.01244	4.4
63.01987	0.4
63.02273	1.7
65.00210	1.4
69.93752	0.4
71.01250	2.3
71.53043	0.6
72.99168	0.6
73.02830	0.7
75.00728	0.6
77.58763	0.4
77.67396	0.5
83.01276	0.9
85.02831	1.5
87.00773	0.6
89.02325	1.4
93.03345	0.8
95.01271	0.5
96.95901	0.7
98.02348	0.4
101.02328	1.3
103.03920	0.4
107.01262	2.6
109.02821	0.8
111.00775	1.3
113.02355	0.7
115.00069	0.4
117.03342	1.8
119.04856	0.5
121.02846	0.9
123.04399	1.1
125.02394	0.5
133.02866	4.3
134.03610	0.7
135.04378	0.7
137.02344	0.8
143.40173	0.4
147.04346	0.4
149.02328	1.4
151.00262	5.4
151.03992	0.6
153.01802	0.6
159.04391	0.8
160.03908	0.9
161.02295	0.7
167.03471	0.7
169.01358	0.7
175.03891	2.1
176.01039	0.6
177.01816	0.7
181.04968	0.4
191.03566	0.5
191.05490	1.0
192.94463	0.4
198.03133	0.4
199.03954	1.9
200.04715	0.5
201.01971	0.4
201.05180	0.5
205.03337	0.4
211.03932	0.5
217.05057	0.6
225.05527	0.6
227.03436	1.4
239.03503	0.6
241.05000	1.0
241.14206	0.5
243.03110	0.6
245.09346	0.7
255.03036	1.0
256.03738	2.0
257.04431	0.6
263.18619	0.4
265.09372	0.7
267.02863	0.6
268.03854	1.8
269.04529	48.9
270.04929	3.4
271.02609	0.5
271.06351	0.5
283.02481	0.7
284.03253	41.1
285.04022	71.1
286.04370	4.8
296.06830	0.6
309.04221	0.5
367.08261	0.5
397.09512	0.7
487.12280	0.5
577.15991	0.9
593.14966	0.9
609.14124	0.5
711.55658	0.4
739.20844	100.0
740.21155	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	738.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.6
59.97498	0.1
60.01585	0.3
61.98700	100.0
62.98403	0.2
71.01263	0.2
77.07522	0.1
89.02320	0.2
100.71841	0.1
101.02332	0.1
102.54678	0.1
106.39699	0.1
136.60371	0.1
151.24112	0.1
161.22603	0.1
187.04025	0.1
194.55025	0.1
215.12448	0.1
227.07314	0.1
245.08179	0.4
246.08434	0.1
277.21820	0.3
278.22073	0.2
279.22409	0.1
380.26697	0.1
397.13254	0.1
398.14105	0.2
399.14163	0.2
431.51245	0.1
575.23663	0.1
576.23285	0.2
682.44238	0.1
718.67596	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	739.1876
Annotation	Halistanol Sulfate G
Peak:m/z	Relative Intensity
52.84154	0.9
57.01310	1.1
57.03305	2.6
58.00452	1.2
59.01251	19.4
61.98684	4.6
63.02273	2.3
71.00898	1.3
71.01248	15.2
71.52601	1.8
72.99158	1.9
73.02802	4.7
75.00735	1.6
83.01240	3.8
85.02823	8.2
87.00747	2.2
89.02286	4.5
93.03326	4.3
96.95838	1.5
99.00731	1.6
101.02313	7.7
103.03858	4.0
105.15845	1.1
107.01273	1.4
107.04332	1.1
107.04904	14.2
108.02030	3.3
109.02805	2.2
111.00681	2.6
113.02338	7.2
117.03328	5.3
119.03347	1.6
119.04918	8.5
121.02780	2.2
122.05868	1.2
123.04377	1.7
125.02308	1.3
129.01765	1.3
131.04820	1.3
132.02052	1.7
133.01877	1.3
133.02841	32.6
134.03548	3.9
135.04408	45.6
136.04695	2.1
137.02290	4.4
143.03307	1.6
149.02240	3.2
149.05960	1.4
150.03125	1.0
151.00221	3.0
151.03795	3.0
152.01004	1.7
152.07060	1.2
153.01776	1.6
159.04375	2.2
160.03870	4.0
161.02350	71.8
161.04396	4.9
162.02635	3.1
163.03844	4.9
173.00676	1.1
175.03883	3.0
178.02600	1.2
179.03404	16.9
183.10062	1.5
190.02577	1.7
191.03302	1.7
201.05261	1.1
206.39365	1.2
223.05972	2.0
225.05527	1.8
241.04636	1.7
265.09149	3.7
267.02792	1.4
268.00754	1.6
268.03741	58.8
269.04437	100.0
270.04523	17.6
283.06110	50.6
283.10760	1.5
284.06433	39.9
285.04306	1.6
285.06674	23.8
313.09198	2.2
417.20938	2.3
431.09689	1.5
469.13049	1.7
491.19354	1.3
514.22711	1.2
533.19885	4.8
550.19940	1.0
551.15375	1.5
559.14130	2.1
569.23694	2.4
577.15381	2.1
635.35083	1.2
645.25330	2.9
695.25354	1.5
739.18420	79.3
740.18860	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	738.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.6
60.01587	0.3
61.98700	100.0
62.98406	0.2
65.76550	0.1
71.01263	0.1
81.18746	0.1
85.02799	0.1
89.02316	0.1
101.02321	0.1
107.40628	0.1
175.03941	0.1
209.11734	0.5
211.13283	0.1
214.97054	0.1
227.07068	0.1
227.12851	0.1
245.08231	0.2
246.08614	0.1
275.53223	0.1
277.21799	0.2
278.22040	0.2
279.22681	0.1
293.21167	0.2
326.86661	0.1
397.13629	0.2
398.13614	0.2
399.14182	0.3
576.23413	0.2
578.64404	0.1
601.73401	0.1
702.82715	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	737.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72899	0.2
59.01249	100.0
60.01587	1.1
61.98701	6.8
70.77740	0.7
71.01250	3.4
72.99191	0.4
73.02812	1.4
75.00755	0.4
78.95777	0.4
79.95624	0.6
80.96391	2.8
83.01270	0.7
85.02831	1.3
87.00749	0.8
88.98681	0.3
89.02346	0.7
93.03339	0.4
93.24558	0.2
94.62525	0.2
94.97975	0.9
95.01272	0.3
96.95889	2.3
98.80763	0.2
99.00728	0.3
101.02319	2.5
111.00747	0.4
113.02313	1.3
116.92714	0.4
119.03445	0.3
119.04945	1.0
125.02370	0.3
130.74055	0.2
143.03401	0.3
161.04503	1.1
163.03954	1.0
179.05562	0.3
209.11845	0.4
211.13438	0.4
225.00708	0.8
269.04541	0.3
326.56735	0.3
413.01913	0.3
489.32397	0.3
633.39722	0.7
635.41650	0.5
647.41498	0.3
677.42340	2.2
678.41272	0.3
693.41113	0.9
694.39618	0.3
737.31097	3.0
737.44525	0.8
738.30554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91422	0.4
59.01248	85.4
60.01585	0.8
61.22760	0.4
61.98704	3.7
69.31801	2.4
69.32226	1.5
71.01244	2.3
73.02829	0.7
75.00748	2.6
76.37293	0.4
79.95621	1.1
80.96398	2.2
82.39758	0.4
85.02834	1.5
85.06445	2.9
91.64593	0.4
94.97952	0.7
97.06491	0.6
98.20110	1.6
99.00778	0.7
101.02332	1.7
106.06879	0.4
112.01560	0.4
113.02338	1.2
145.02832	1.3
146.03639	0.6
161.04500	0.7
164.98442	0.6
173.02365	0.9
174.03133	12.1
175.03883	3.7
199.07585	0.9
201.09184	1.5
206.02136	6.1
209.11772	2.1
225.00642	0.6
227.07112	5.5
245.08153	100.0
246.08485	8.1
304.37589	0.4
396.92740	0.5
410.83969	0.4
467.52939	0.4
536.90161	0.5
573.28479	0.5
575.22681	0.8
602.22961	0.5
617.40570	5.7
618.40710	0.6
635.41406	1.2
665.28351	1.1
677.42578	7.4
678.42664	1.4
737.29974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76231	0.2
57.03317	0.3
59.01249	100.0
60.01587	0.9
61.01689	0.2
61.98702	4.0
69.23545	1.2
69.23975	0.9
71.01254	2.3
73.02820	1.2
78.95791	0.2
79.95611	1.0
80.96383	2.5
83.01241	0.2
85.02811	1.2
87.04417	0.4
89.02330	0.3
94.97975	0.8
96.95931	0.4
99.00751	0.3
101.02316	2.0
101.02860	0.3
106.17728	0.2
113.02364	1.3
116.92759	0.5
121.02802	0.2
143.03369	0.2
148.99139	0.3
161.04497	0.5
164.98584	0.2
197.63503	0.2
209.11710	1.2
225.00783	0.6
245.08162	0.4
246.52287	0.2
268.97864	0.2
279.23370	0.3
287.08301	0.4
291.19833	0.6
399.32828	0.5
401.64948	0.3
417.34091	0.7
428.99567	0.3
429.06787	0.2
543.36865	0.4
550.71527	0.2
561.37823	1.5
579.39050	1.7
603.38928	2.2
607.28058	0.2
617.40948	0.6
621.40033	9.1
621.50043	0.5
622.40503	1.3
633.40363	0.6
635.41779	0.4
665.28625	0.7
665.38977	0.3
677.42194	1.4
693.42853	0.4
737.31738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.3
58.00455	0.6
59.01247	100.0
60.01581	1.5
60.87634	0.3
61.01683	0.4
61.98700	3.4
71.01253	7.1
71.01624	0.6
71.05994	0.3
72.99165	0.4
73.02825	2.2
77.45113	0.3
79.95620	0.7
80.96385	1.7
83.01260	0.7
85.02818	2.8
87.00750	1.8
88.98701	0.7
89.02321	3.0
94.97974	0.3
95.01235	0.8
99.00764	0.8
101.02322	3.5
113.02326	4.3
116.92718	0.5
119.03384	0.9
125.02339	0.4
131.03493	0.4
143.03429	0.6
161.04518	1.1
192.70471	0.3
195.05040	0.4
209.11797	1.1
225.00696	0.6
237.95465	0.3
245.08195	0.8
258.89059	0.4
291.19781	0.6
417.34039	0.7
473.36694	0.5
503.24478	0.3
561.37872	12.4
562.38043	2.4
573.37701	3.4
574.38440	0.6
579.39331	1.5
591.39404	0.5
593.80029	0.4
617.40625	7.3
618.41058	1.7
621.40021	11.1
622.40271	2.1
633.40021	2.4
634.40686	0.6
635.41669	2.0
677.42590	13.3
678.43048	2.7
693.42853	0.5
737.30896	0.6
737.44055	0.8
760.64429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.1
57.03325	0.9
58.00461	0.8
59.01249	100.0
60.01574	1.2
61.98699	11.0
69.35422	0.6
70.63683	1.1
70.64025	0.9
71.01252	13.7
72.01595	0.6
72.99161	0.9
73.02814	5.0
75.00775	0.6
79.95607	0.7
80.96414	1.4
81.03331	0.7
83.01271	2.1
85.02820	6.2
87.00766	1.2
88.98705	0.8
89.02318	2.8
93.03330	1.2
94.02885	1.5
95.01266	1.2
95.39928	0.5
96.95881	1.2
97.02884	0.6
97.30757	0.5
99.00777	1.2
101.02318	7.8
106.04153	0.6
107.04905	0.7
108.02092	0.9
109.02848	0.8
109.06483	0.9
113.02319	6.3
114.65134	0.6
116.92732	0.6
117.03371	0.5
119.03384	1.4
119.04927	1.9
121.02850	1.3
125.02369	1.3
129.01840	0.6
133.04985	0.7
137.02348	1.9
138.05481	0.6
143.03397	1.4
145.02850	0.6
150.03156	0.6
151.00325	0.7
152.01047	0.7
161.02405	0.9
161.04492	2.9
163.03897	1.2
164.04640	0.8
179.05464	0.7
186.42223	0.5
209.11792	1.1
265.09583	0.5
268.03842	0.7
269.04636	0.9
271.06277	0.8
273.14960	2.6
279.07797	0.7
279.23346	1.1
280.08575	0.8
281.09543	0.9
293.05685	0.8
307.07507	0.7
308.07990	2.7
309.08932	1.3
426.68787	0.7
448.15234	1.6
479.16620	1.2
480.18130	1.2
486.79984	0.7
489.24899	2.4
489.31454	0.8
492.14212	0.9
504.21548	0.9
524.16980	1.0
533.24060	1.9
556.19403	1.0
567.36884	1.0
585.38440	1.1
597.23596	1.7
603.39142	1.6
620.84424	0.7
621.40668	0.9
627.39246	0.7
629.26056	1.8
633.39624	5.7
634.40009	0.8
635.40076	1.0
651.40967	3.3
661.28931	0.8
673.25439	1.8
677.39832	2.5
678.40991	0.7
693.42267	10.2
694.42609	2.7
695.39954	1.3
705.28223	1.9
737.39612	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	737.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09748	1.0
56.15154	0.8
58.63136	1.1
59.01253	11.1
61.19821	0.9
61.98707	6.2
69.01003	0.9
69.03317	3.0
69.26112	4.3
69.26543	4.2
71.01248	5.9
71.04883	1.6
73.02812	1.0
83.04875	0.9
87.32150	0.9
89.02297	2.3
98.20521	1.8
99.00710	1.0
101.02319	3.7
113.02312	2.2
125.09590	2.0
128.24474	1.0
151.11227	1.8
151.80513	0.9
161.04388	1.3
161.09607	3.6
169.12228	3.9
179.10674	9.0
197.11748	47.5
198.12068	2.2
223.09682	1.3
241.10785	2.8
253.09248	3.6
277.21704	54.6
278.22031	5.9
279.23203	2.0
291.19547	0.9
293.21161	1.3
329.69559	1.1
442.93982	1.1
459.18427	1.0
477.19821	2.7
737.41107	100.0
738.41486	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	13.2
61.98698	7.6
69.03322	4.5
69.21809	1.1
69.22115	11.7
71.01246	5.9
71.04874	1.6
73.02801	2.2
78.95742	1.2
83.04851	1.4
85.02808	1.7
88.29213	1.1
89.02311	2.6
97.06442	1.2
98.20499	2.2
101.02304	3.4
111.04332	1.2
113.02326	1.5
119.03365	1.4
123.08031	1.2
125.09559	1.6
140.67993	1.2
151.11110	2.3
153.12749	1.3
161.04456	1.8
161.09631	2.9
169.12192	3.5
179.10689	6.7
197.11749	87.6
198.12085	3.9
223.09624	2.6
230.45444	1.1
241.10707	4.8
253.09268	5.2
277.21701	35.4
278.22061	2.3
279.23190	5.9
293.24637	1.8
295.22903	1.3
397.75671	1.2
459.18951	1.8
477.19376	2.7
737.41125	100.0
738.41290	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94102	0.2
59.01248	100.0
60.01580	1.0
61.98706	1.2
66.20006	0.1
70.81727	0.5
71.01270	0.4
84.58324	0.2
96.78430	0.2
101.02294	0.2
101.52029	0.2
112.50291	0.2
121.00899	0.2
142.82573	0.2
209.11761	0.4
211.13353	0.3
225.11304	0.4
245.08238	0.6
279.23358	0.3
291.19705	0.3
293.21350	0.3
391.72784	0.2
397.13629	0.3
508.41183	0.2
737.39941	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01583	0.7
61.98701	18.8
71.01245	0.9
72.47837	0.4
73.02821	0.7
73.29365	0.4
83.04884	0.9
98.19779	0.8
101.05956	0.8
119.07039	1.3
145.02826	0.6
146.03677	0.5
149.27560	0.4
171.10159	0.7
173.02367	0.6
174.03116	6.5
175.03902	8.9
183.08047	1.4
184.00031	0.8
187.03932	0.7
196.29939	0.4
198.52983	0.4
199.07536	1.0
201.05473	1.0
201.09123	1.4
206.02144	4.1
209.11771	2.5
211.13310	1.8
212.04517	0.5
225.11325	0.7
227.07079	29.9
227.12831	0.8
228.07443	1.8
229.08795	0.8
241.07152	0.7
245.08145	83.2
246.08499	5.0
263.09247	5.1
271.09756	1.0
282.55157	0.4
289.18063	0.5
291.19803	2.0
299.75241	0.4
329.13980	1.2
347.14929	3.8
422.81992	0.5
575.22766	12.7
576.22949	1.6
604.44135	0.4
677.41455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97258	0.2
57.03332	0.2
59.01249	55.6
60.01587	0.3
61.98700	5.1
65.49829	0.2
69.32542	1.6
69.32956	0.6
71.01236	2.0
72.47633	0.3
73.02820	0.6
73.32544	0.2
75.00735	2.0
79.95594	1.4
80.96386	2.7
83.01258	0.3
85.02833	1.1
85.06474	1.8
94.97965	0.7
97.06486	0.4
97.93322	0.2
99.00750	0.5
101.02328	1.2
106.37012	0.3
108.02029	0.4
112.01481	0.3
113.02317	1.1
125.02363	0.3
130.04094	0.3
135.08043	0.2
145.02837	1.8
147.04292	0.3
161.02437	0.3
161.04471	0.7
164.98567	0.6
171.10242	0.3
173.02321	1.0
174.03134	11.5
175.03906	4.3
175.07436	0.3
178.02612	0.4
183.08031	0.6
183.38570	0.3
186.06715	0.5
197.11816	0.6
199.07616	0.8
201.09172	1.5
206.02135	7.1
206.99617	0.3
209.11758	3.0
211.12999	0.4
212.04738	0.3
225.00694	0.7
227.04953	0.4
227.07098	5.6
228.07491	0.3
245.08147	100.0
246.08487	6.5
253.09227	0.5
259.09827	0.3
262.45999	0.2
276.53629	0.3
291.19653	0.6
309.20679	0.9
491.98849	0.3
519.33008	0.4
561.33801	0.4
575.23120	0.4
607.27087	0.3
617.40509	3.2
618.40302	0.4
635.41315	1.3
665.27863	0.9
677.42627	5.1
678.42957	0.4
737.31018	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49265	0.3
59.01248	100.0
60.01593	0.9
60.93431	0.3
61.98701	25.8
69.19875	2.2
69.20284	0.6
71.01257	0.7
89.02347	0.7
92.02995	0.2
98.19729	0.4
101.02334	0.5
107.21352	0.3
110.41845	0.2
113.02382	0.3
148.71567	0.3
151.33978	0.3
215.96111	0.3
222.89906	0.3
227.07112	0.2
245.08133	1.3
246.08459	0.3
277.21866	1.3
278.22192	1.2
279.22229	0.3
305.87289	0.3
397.13486	1.2
398.14078	1.2
399.14197	0.8
415.14828	0.4
416.15140	0.3
508.87067	0.3
522.07013	0.3
575.23065	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
59.98299	0.2
60.01591	1.1
61.98700	48.0
67.17236	0.2
70.39397	1.0
71.01263	0.4
80.96111	0.2
83.04905	0.3
87.97353	0.3
89.02307	0.3
101.02264	0.4
120.71783	0.3
125.02283	0.4
174.03067	0.8
175.03813	0.8
183.08025	0.4
187.03836	0.4
188.06700	0.3
192.51306	0.3
201.05426	0.4
206.02161	0.4
211.13274	0.4
217.54968	0.3
225.11179	0.4
227.07141	2.6
245.08170	11.8
246.08360	0.8
263.09097	0.4
277.21454	0.8
278.21878	0.5
279.22073	0.3
293.20984	0.5
293.91376	0.3
347.14890	0.4
397.13058	0.8
398.13324	1.0
399.13593	0.5
415.14035	0.4
416.14343	0.4
438.78363	0.3
439.93121	0.3
449.82870	0.3
575.22809	6.3
576.22156	1.1
709.88031	0.3
736.48138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.0
59.01249	21.9
60.13567	1.5
61.98691	6.1
69.84558	9.8
71.01256	12.8
73.02815	4.3
80.04945	7.5
82.72569	1.7
83.04962	2.1
85.02831	7.4
89.02309	3.9
93.03322	3.1
94.02855	24.8
94.06512	4.1
95.43882	1.6
96.04451	2.0
96.95840	3.1
99.04489	1.8
101.02338	6.6
103.03893	3.0
104.04922	3.2
106.06513	8.6
107.03643	5.9
108.02030	2.9
108.04441	2.4
109.02840	2.8
110.02349	3.0
111.00759	6.6
113.02346	5.2
118.75936	2.2
119.03433	2.0
119.04930	8.5
121.02863	2.8
122.02350	2.3
122.06003	34.6
123.04452	2.5
124.03922	32.9
134.06027	9.7
136.03949	3.2
136.07574	4.5
137.02344	3.2
138.05486	4.6
141.94582	1.6
148.03928	3.0
148.07521	2.3
150.05510	4.2
152.00999	2.3
152.03651	1.8
152.07076	73.3
160.03946	4.6
160.07550	2.9
161.04384	2.4
163.03896	4.6
164.07074	7.7
174.05641	1.7
178.05049	4.9
188.07118	2.7
190.05008	2.3
197.11774	4.7
201.11208	6.2
201.44176	1.6
209.11771	5.3
210.07680	4.4
211.08720	2.1
214.11113	2.8
218.08139	7.8
223.06161	2.6
224.09531	3.1
225.10289	4.2
226.11121	1.9
229.13455	2.3
233.60132	1.6
237.10307	4.8
239.11876	3.6
241.13499	3.3
245.12886	8.3
248.09583	2.3
249.06810	2.2
249.10275	2.3
250.07277	1.7
251.08180	4.7
253.09637	2.4
257.09311	2.5
259.10867	8.9
259.14297	2.7
263.08279	3.4
264.09006	2.9
265.09729	11.8
266.10315	3.1
267.11295	5.6
268.03714	3.2
269.04520	3.6
277.09796	3.2
279.11377	4.8
281.09341	3.2
283.06018	4.2
283.10934	2.2
288.11078	2.1
289.08365	6.1
293.09201	3.0
295.07715	1.8
295.10614	8.7
297.12360	4.1
302.40219	1.9
303.10126	3.8
304.10724	2.9
308.08099	2.7
309.08765	5.8
309.12320	2.7
311.10403	4.2
313.11829	4.2
316.10712	3.2
323.10324	20.8
324.11133	5.7
325.12000	6.2
326.12500	3.2
330.08533	1.9
330.12399	3.1
331.12961	3.3
334.11792	7.1
337.12012	3.1
349.13870	9.7
350.13922	1.8
355.12994	2.6
362.15121	2.6
367.09409	2.5
384.13504	2.1
385.14441	2.2
389.13632	2.5
404.16028	2.6
414.14548	3.8
422.16928	2.6
428.20105	2.5
444.19177	3.1
446.15961	2.5
458.17273	3.4
460.15253	2.2
464.18524	3.5
472.18799	2.8
476.18048	3.1
489.19171	3.6
490.19852	3.6
491.37198	2.0
504.21411	24.5
505.21411	4.1
534.19012	3.9
548.20258	21.1
549.20227	2.5
565.21014	2.8
569.23718	7.6
580.23083	34.1
581.22913	5.2
597.22559	3.3
611.24719	14.5
612.25250	2.9
613.23016	21.0
614.23700	7.5
629.26062	38.1
630.26532	6.8
643.26971	2.7
645.25574	37.2
646.25848	4.8
655.24023	12.2
656.24487	2.6
661.28650	8.5
673.25067	72.5
674.25342	12.7
677.28143	15.2
678.28674	3.0
687.26099	23.4
688.26465	5.5
693.32410	1.9
705.27637	100.0
706.27832	21.8
719.29486	15.2
737.30383	21.8
738.29169	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	737.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.7
59.01250	28.4
61.98712	8.2
65.39034	1.3
67.01727	1.6
71.01251	14.6
72.99168	1.6
73.02811	5.0
75.00697	1.5
80.04913	8.8
80.96382	1.3
82.02865	2.8
83.01266	4.0
83.04875	1.5
85.02812	10.2
86.03069	1.2
87.00761	3.2
89.02316	5.2
93.03339	4.9
94.02861	26.7
94.06497	1.6
95.01261	1.9
96.95914	2.7
97.02824	1.7
99.00729	1.6
101.02316	9.5
103.03893	3.4
104.04944	2.5
106.06499	8.4
107.01274	1.5
107.03650	5.8
107.04915	1.4
108.02067	3.3
108.04435	2.0
109.02826	2.1
110.02333	3.5
111.00750	6.4
113.02329	7.1
116.92738	1.5
119.04910	10.5
121.02837	2.9
122.02349	1.8
122.06005	39.0
123.03105	1.4
123.04352	3.5
124.03930	34.6
124.07544	1.7
125.02327	2.7
130.06491	2.6
132.04436	2.6
134.06020	10.2
136.03957	4.9
136.07542	3.4
137.02345	3.9
138.05533	6.9
139.02609	1.5
148.03976	3.5
148.07574	1.7
149.02382	1.7
150.05511	3.5
151.00250	3.6
152.01099	2.8
152.07076	64.9
153.07407	2.1
160.03896	3.9
160.07558	5.3
161.04478	3.9
163.03954	6.8
164.03433	2.4
164.04764	1.5
164.07059	6.9
167.03375	1.6
169.12247	3.1
173.04556	2.0
174.05475	2.7
175.02448	2.2
175.03943	1.6
178.04982	4.2
181.04938	2.9
188.07147	1.8
190.04988	1.5
197.11816	7.6
201.11249	4.7
205.05038	2.3
205.08521	1.7
209.11748	4.8
210.07622	5.2
211.08675	3.0
214.11031	2.7
215.08170	1.8
218.08180	8.7
223.06100	1.7
223.08823	2.6
224.09323	1.4
225.10194	3.6
226.10976	2.0
229.13420	3.1
229.55284	1.9
235.08760	3.4
237.06572	1.3
237.10182	5.0
238.08710	2.1
239.11929	3.5
241.13496	6.2
245.12769	8.3
249.06683	3.8
249.10222	3.1
251.08255	7.0
251.11945	1.4
253.09886	2.8
257.09290	3.4
257.12888	1.7
259.10837	8.9
259.14502	1.4
260.11719	1.6
263.08173	5.0
264.08823	1.7
265.09738	14.2
266.10440	3.3
267.11368	7.9
268.03769	4.3
269.04495	2.6
271.06158	2.1
277.09778	2.5
278.10660	2.3
279.07678	2.1
279.11282	5.1
282.10074	2.5
283.06152	3.2
288.11386	1.7
289.08295	5.4
293.09357	4.5
294.09708	2.0
295.10794	7.0
296.11423	2.5
297.12354	3.2
303.09732	6.0
303.12961	1.9
305.09323	2.3
308.07996	4.5
309.08813	5.9
309.12167	2.6
311.10553	3.3
313.11832	3.8
316.10657	3.4
323.10355	18.4
324.11005	6.1
325.12003	7.5
326.12604	1.8
328.10785	1.9
328.14316	1.7
334.11728	11.0
337.11957	4.1
339.13397	3.0
342.12289	2.0
349.13940	9.2
355.13083	2.0
360.13358	1.8
360.50076	1.6
370.15509	2.9
372.17484	1.8
387.11694	2.4
388.16968	1.9
390.14282	1.8
398.15015	1.4
402.14365	1.6
404.16095	2.1
414.14606	3.5
416.16495	1.8
418.13867	2.5
422.17181	2.6
426.18887	1.8
428.19662	2.7
430.13391	2.7
430.18231	2.4
432.19296	2.9
446.15665	1.7
458.16940	3.1
464.18024	2.9
472.18417	3.2
474.16177	1.7
476.18045	2.9
489.18951	4.1
490.19666	4.9
504.21506	24.3
505.21512	1.8
522.22449	5.0
533.18018	2.6
534.18329	2.8
548.20319	14.9
549.20392	3.2
554.22131	2.9
555.22925	1.5
565.20422	2.6
569.24078	5.2
580.22943	28.0
581.22760	4.0
583.21698	1.7
597.23035	3.1
601.26404	2.2
611.25281	10.4
612.25464	2.2
613.23010	18.3
614.23492	4.8
629.26141	32.2
630.26270	6.3
643.28235	1.7
645.25732	30.1
646.25659	5.8
655.24066	9.5
656.24603	2.1
661.29028	8.1
673.25061	71.1
674.25214	12.1
677.27985	14.3
678.28693	3.1
687.26642	22.2
688.26929	4.1
705.27582	100.0
706.27820	20.5
719.29230	9.8
737.30432	21.5
738.30920	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	737.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	3.8
57.03306	4.2
59.01251	77.9
61.98683	3.5
62.80134	2.7
69.03316	4.1
71.01255	47.1
72.99171	9.4
73.02819	15.5
75.00744	5.5
83.01247	8.2
83.04867	5.0
85.02816	31.5
86.02338	7.1
87.00748	6.0
89.02318	21.2
93.03320	7.6
95.01248	5.2
96.95877	6.4
97.02822	5.9
98.20634	6.3
99.00735	4.6
101.02312	30.5
103.03829	5.8
108.02036	9.2
109.02825	4.2
111.00748	18.0
113.02329	25.6
119.03407	7.3
119.04910	32.2
121.02850	14.2
121.05239	4.3
123.04406	3.2
124.01498	3.7
129.01871	2.9
133.02786	3.6
134.03574	4.4
134.06009	3.1
135.04404	9.1
136.07549	5.6
137.02321	6.5
143.03369	4.4
147.04384	4.7
147.16663	2.4
148.05115	3.4
149.02335	29.5
149.05968	4.1
150.02953	3.0
151.03891	2.8
152.01028	7.3
152.07030	4.6
153.01817	3.6
153.05438	3.3
160.01599	3.2
160.03952	21.6
160.05167	4.8
161.02397	6.4
161.04497	4.9
161.05836	3.5
162.03123	3.5
163.03928	32.5
164.04720	34.1
165.05434	7.4
166.02620	4.3
174.03085	3.8
175.00290	9.4
175.02492	4.5
175.03830	12.6
176.01018	4.6
177.01837	7.7
177.05481	5.5
178.06203	3.4
179.03517	3.3
179.05627	3.2
179.07033	14.5
181.04987	10.7
188.04716	7.1
189.05501	3.8
190.02626	38.5
190.04967	3.9
191.03345	17.8
191.05487	2.9
191.07072	3.7
193.01404	3.4
193.04939	10.0
201.03802	2.9
202.02769	3.1
202.12263	5.6
203.03534	3.1
203.07091	4.7
204.04224	3.5
205.03493	3.4
205.05006	47.7
205.08829	3.1
206.05730	26.0
207.02870	8.8
207.06271	4.1
208.03670	9.6
219.06534	15.2
221.08125	37.4
222.05244	3.9
223.06073	69.2
224.06387	7.2
235.02332	3.9
235.06017	8.0
237.07648	11.7
241.14577	3.5
245.12796	4.9
247.05978	7.1
250.04720	10.4
254.10620	7.0
255.02971	6.9
265.07086	100.0
265.09070	6.5
266.07504	7.7
272.11594	9.5
283.02426	12.2
285.03970	10.0
287.13818	3.5
291.05215	6.2
295.08191	43.8
305.14981	23.2
307.08151	40.8
308.08426	4.8
309.22073	6.2
325.09253	66.7
326.09415	5.0
349.14044	23.3
350.14047	3.6
351.07068	3.5
355.12949	15.4
359.09982	3.3
361.09274	3.9
367.10315	8.4
385.11401	38.7
386.11960	3.6
393.20502	3.6
411.21579	7.3
543.31134	3.4
545.22406	3.2
549.15704	12.8
550.16107	2.8
573.26929	50.9
574.27142	7.0
585.32172	4.2
603.34216	5.5
615.32458	3.2
617.16730	3.7
617.26050	46.3
618.26324	7.1
629.25580	3.2
633.28870	6.7
677.28027	38.1
678.28217	8.7
693.29669	6.1
737.23657	9.5
738.20197	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	737.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	8.6
58.00470	2.0
59.01251	52.1
61.98687	4.3
63.09010	1.1
64.52287	1.0
64.77836	0.9
67.19271	0.9
69.03300	1.7
71.01250	33.5
71.04895	1.1
71.52883	1.5
72.99176	1.8
73.02818	13.1
73.43377	1.0
75.00741	3.0
81.03322	1.3
83.01269	5.6
83.04888	2.8
85.02819	29.3
87.00747	4.6
87.04372	1.4
88.98691	1.5
89.02306	11.6
91.01781	1.1
93.03331	1.9
95.01257	1.6
95.04852	1.3
96.95886	3.1
97.02835	2.1
97.06409	1.0
99.04382	3.1
101.02321	17.2
103.03886	51.0
108.02067	1.7
109.02843	1.7
111.00753	2.1
113.02345	12.8
116.69325	1.1
116.92788	1.7
117.05399	1.3
119.03371	4.2
119.04909	4.6
121.02821	2.6
122.05975	1.1
123.00731	2.1
123.04357	1.7
125.02348	1.8
125.05948	1.4
129.01791	1.3
134.03622	1.5
135.00804	1.4
135.04353	1.2
137.02345	1.8
137.09583	5.7
139.04016	1.3
143.03375	1.4
145.04985	1.6
149.02335	2.2
149.05907	1.4
151.00269	1.4
152.00989	1.7
152.06999	1.2
153.01840	3.5
155.10699	1.3
157.04933	1.2
160.03856	1.2
161.04428	3.3
161.05870	1.4
161.09590	4.2
163.03877	3.5
163.07542	2.8
167.03325	1.7
174.02950	1.1
175.03993	1.0
179.05536	2.5
179.10707	5.4
181.08614	4.3
190.02600	1.5
197.11702	6.1
205.05083	2.0
223.06061	1.9
223.09700	3.3
241.10799	5.4
241.14297	1.3
247.08063	5.8
265.09216	28.2
266.09351	1.0
269.04547	2.8
269.07736	1.2
283.02594	1.3
283.11743	1.7
307.10379	7.9
335.12631	1.3
343.13858	1.2
399.26581	1.2
427.19626	2.4
429.17551	3.9
453.17426	1.6
471.18823	3.5
489.19708	13.0
490.19806	1.4
507.28244	1.4
531.20715	2.6
575.17767	1.7
585.32898	3.1
591.22723	4.0
603.33862	3.0
604.34326	1.3
651.24792	10.1
652.25879	2.1
677.49323	2.4
693.28510	2.5
719.27783	2.6
737.28741	100.0
738.29120	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31958	2.7
57.03283	2.6
57.11718	2.4
59.01249	43.6
61.62771	2.5
61.98675	6.2
69.03301	2.8
69.32907	2.4
69.42050	9.0
69.42477	9.8
71.01252	22.9
71.04861	3.2
72.99140	3.2
73.02813	12.8
74.98927	3.3
83.01239	7.8
83.49873	2.8
85.02826	17.6
87.00735	3.4
88.98645	3.0
89.02287	6.4
89.79012	2.2
93.03294	9.3
94.02844	4.4
94.06454	2.9
95.01248	2.6
95.04863	8.8
96.95833	3.0
97.02808	5.0
99.00699	2.7
101.02328	16.0
103.03872	7.7
107.03604	4.5
108.02047	84.9
108.04424	2.7
109.02844	39.2
111.00722	10.2
113.02282	7.5
119.03378	2.6
119.04855	11.2
120.90570	2.6
121.02842	12.1
122.05996	27.3
123.04392	3.4
125.02305	5.7
125.72881	2.6
128.03409	2.9
134.03543	2.8
134.05975	2.9
135.00731	4.2
135.04353	3.3
136.98964	3.7
137.02301	8.6
138.05447	4.7
145.06380	3.3
149.02361	16.7
151.03871	5.3
152.01056	77.7
152.07076	41.1
153.01814	30.3
161.04454	4.0
163.03862	9.2
164.04674	12.2
167.03371	6.9
173.09514	2.7
175.11147	9.9
177.01859	2.7
186.05408	2.6
191.03394	3.1
196.03625	6.4
201.09059	9.6
217.08508	5.8
233.11771	30.6
241.08696	5.6
245.07988	11.0
250.07161	3.4
259.09525	10.4
263.08096	4.8
265.09567	13.9
269.04620	3.9
277.10495	4.4
278.06998	5.7
293.06705	2.7
293.09326	29.8
295.09787	4.8
305.09174	8.3
309.04022	3.1
311.12918	3.3
325.14246	2.6
334.03973	3.1
355.11874	4.2
393.24463	2.4
430.17569	3.4
432.15247	3.4
444.15390	6.0
458.16983	13.8
471.14673	10.2
484.14719	3.0
502.16168	20.4
503.16187	3.4
504.21402	3.4
517.18317	3.9
534.18921	3.1
543.14221	3.7
549.20001	4.7
575.17590	100.0
576.17621	9.1
597.23804	12.4
603.33105	3.3
617.18671	9.1
629.25494	8.1
641.21936	8.2
673.25055	64.7
674.24622	8.3
705.27576	22.8
706.27087	4.1
737.22430	88.5
738.23126	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	737.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.2
59.01249	2.2
61.98692	0.2
63.02002	0.1
63.02287	0.2
64.99917	0.2
65.00243	0.1
68.99686	0.2
71.01250	1.1
72.99174	0.1
73.02806	0.6
79.38800	0.1
83.01280	0.3
85.02821	0.8
87.00757	0.2
87.04382	0.1
89.02314	0.5
93.03291	0.1
101.02321	0.9
103.03882	0.7
107.01255	0.3
107.03672	0.1
111.00751	0.1
113.02305	0.2
114.31028	0.1
115.03854	0.1
117.03365	0.2
119.03378	0.2
119.04905	0.3
121.02818	0.1
122.02295	0.1
122.05988	0.4
123.04494	0.1
125.02299	0.2
125.37997	0.1
131.03400	0.3
135.79300	0.1
137.02341	0.2
143.03387	0.3
145.02902	0.1
148.01573	0.2
149.02330	0.1
149.99480	0.1
151.00232	0.7
152.07036	0.6
160.03908	0.2
161.04385	0.2
163.03864	0.2
163.06003	0.3
163.07343	0.1
165.12773	0.1
169.01434	0.1
171.04378	0.3
172.05136	0.2
179.10733	0.1
190.04834	0.1
195.04422	0.1
196.05264	0.2
197.11566	0.1
200.04741	0.1
205.05286	0.1
205.07095	0.6
211.03889	0.3
212.04492	0.1
224.04776	0.1
229.66731	0.1
239.03400	0.8
240.04233	0.9
241.04742	0.1
241.10706	0.1
261.07077	0.1
262.03305	0.1
265.09335	0.4
267.02914	0.4
268.03748	57.4
269.04108	4.1
281.04465	0.2
283.06097	100.0
284.06445	7.6
284.09647	0.2
290.05704	0.2
293.09372	0.2
295.10385	0.2
305.08337	0.3
307.10449	0.1
325.07166	0.5
349.07333	0.2
349.14261	0.1
367.08273	0.2
367.92944	0.1
387.15588	0.5
432.15320	0.1
458.17035	0.1
471.12915	0.9
472.13538	0.1
502.16293	0.2
573.16211	0.2
574.46179	0.1
591.16528	0.4
592.16998	0.1
597.23816	0.2
629.27539	0.1
641.23077	0.2
651.24017	0.1
673.25415	0.6
674.25146	0.1
705.27618	0.4
737.21283	2.2
738.22131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05466	0.9
57.03312	1.8
59.01249	65.4
59.89190	0.9
61.98701	43.9
62.48500	1.2
69.93293	1.0
71.01252	14.0
71.52383	1.4
72.99153	1.5
73.02798	5.8
75.00715	1.4
83.01229	2.6
85.02824	10.7
85.06458	15.5
87.00723	1.5
88.55655	1.2
88.98647	1.5
89.02319	3.0
89.69990	1.1
95.01262	1.2
96.95875	3.9
99.00752	2.2
101.02319	12.0
101.98093	1.0
113.02315	4.5
125.02220	1.0
159.03041	1.3
161.04436	3.0
194.45406	1.3
209.11714	4.5
211.13246	3.5
257.54999	1.0
399.31927	1.0
401.33954	2.0
471.34949	1.4
481.29413	1.1
592.17474	1.2
600.16760	1.1
615.38477	1.8
630.70386	1.2
649.39648	1.6
653.19464	1.4
675.41235	2.2
691.40564	100.0
692.40961	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	735.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80880	1.0
55.01752	1.7
56.75129	0.9
57.03328	6.1
58.08755	1.0
59.01252	100.0
60.01580	1.2
61.98701	8.8
65.00174	1.9
69.03313	3.1
69.28705	4.7
69.29138	5.8
71.01254	44.1
72.99178	2.5
73.02826	9.7
75.00739	1.9
83.01252	6.4
85.02354	1.7
85.02827	23.3
87.00742	4.7
87.42943	1.1
88.98664	2.2
89.02306	11.6
89.79021	1.3
93.03304	1.9
95.01264	5.0
96.95857	2.6
97.02814	3.9
98.20504	2.1
99.00749	4.3
101.01701	1.7
101.02328	21.8
101.02979	0.8
103.03887	22.9
106.04129	1.3
108.02062	1.7
109.02790	1.4
111.00712	3.6
111.07983	2.1
113.02337	21.3
115.03877	4.5
116.92751	3.2
117.05405	1.2
119.03374	4.3
119.04913	15.5
120.05236	5.8
121.02837	1.9
123.04373	1.3
124.01553	1.8
125.02356	10.8
135.04347	1.6
136.75267	1.2
137.02341	2.4
143.03374	4.2
147.04489	1.2
151.00220	2.4
152.01033	1.4
161.04430	6.5
163.03911	10.1
164.04286	3.8
165.04329	1.8
165.12766	10.3
177.01884	2.0
177.05510	2.4
178.05844	1.6
179.05528	1.4
183.13834	13.8
190.02588	1.5
207.13855	1.9
208.48946	1.2
209.11723	1.8
223.06029	1.6
227.12852	3.4
251.12854	3.0
255.02914	1.5
265.09262	12.4
269.04529	9.3
270.04724	3.5
271.05847	1.4
284.03198	2.1
285.03882	2.8
383.24265	1.9
430.27521	1.3
457.20816	6.8
458.20453	1.2
487.21313	4.2
520.72906	1.4
527.28705	16.3
528.28705	2.2
545.29651	45.8
546.29657	7.5
547.17078	1.7
563.30585	14.0
564.30737	1.2
580.51868	1.5
587.30640	8.3
605.31708	11.7
606.32214	2.0
631.36182	1.1
691.32037	9.1
735.30768	49.0
736.31110	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	735.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.4
57.03320	2.7
59.01250	100.0
61.98707	5.9
68.99658	1.0
69.03326	2.6
71.01250	29.0
72.99175	1.9
73.02814	8.0
75.00734	0.9
76.91562	0.8
81.03326	1.1
82.48799	0.9
83.01247	5.6
85.02814	16.3
85.99955	1.5
87.00761	3.6
88.98683	1.7
89.02305	4.9
93.03321	1.6
95.01263	5.2
96.95853	1.7
97.02806	4.8
99.00729	3.7
101.01703	1.5
101.02320	18.4
103.03894	1.3
107.01260	1.0
110.16677	0.9
111.00763	4.2
112.01531	2.3
113.02320	15.3
113.49522	0.9
115.03844	1.5
117.03329	1.3
119.04904	2.1
121.02859	1.8
121.31792	0.8
124.01543	3.0
125.02325	11.8
126.24295	0.8
129.01775	2.2
137.02310	2.7
143.03409	5.3
151.00253	2.3
151.03969	1.8
151.21310	0.9
152.01149	0.8
159.02858	1.6
161.04431	3.1
163.03860	1.8
165.05452	1.1
175.09361	0.9
179.03375	0.9
191.07085	1.2
195.13814	1.6
197.26305	1.1
205.05005	1.1
211.94026	0.9
235.06104	2.0
255.02867	2.6
265.09390	1.1
268.03772	2.7
269.04562	11.6
270.04822	3.0
271.02396	4.0
272.02805	1.7
278.06699	0.9
283.02463	1.4
283.06085	1.1
285.04068	2.7
286.04492	1.6
299.01965	2.5
300.02570	2.5
301.03329	2.4
311.05746	1.5
316.01776	1.1
383.24228	2.5
401.25406	3.3
447.08939	1.3
463.09079	4.2
464.08896	2.8
491.26514	1.2
509.27451	1.8
527.28729	18.2
528.28790	2.4
545.29645	63.3
546.29889	8.1
563.30652	21.6
564.31104	3.5
587.30591	7.7
588.31445	1.1
605.31799	15.6
606.32220	3.0
647.32642	1.3
653.70850	1.1
734.74091	1.9
735.23883	2.5
735.35229	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	735.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56212	0.5
55.01753	1.1
57.03089	0.7
57.03325	9.0
58.00463	1.1
59.01252	53.2
60.01576	1.0
61.98701	2.6
67.01752	0.6
68.08431	0.5
69.03325	1.4
71.01256	30.0
71.04897	0.7
71.32927	0.9
72.99179	2.4
73.02817	9.0
74.98971	0.7
75.00748	6.4
76.90488	0.5
79.95583	0.5
81.03313	0.6
83.01253	5.6
83.04906	1.9
85.02827	30.0
85.50703	0.6
86.03159	0.6
87.00751	3.3
89.02316	11.7
93.03298	2.7
95.01266	2.5
96.95887	2.3
97.02811	1.6
97.06467	0.7
99.00746	2.4
99.04393	1.0
101.02324	20.8
101.92309	0.7
103.03890	39.2
107.04939	1.3
108.02052	2.0
109.02852	1.4
111.00787	3.1
111.04388	0.8
113.02329	9.5
115.00249	0.8
117.05492	0.7
118.98048	0.8
119.03415	4.9
119.04887	4.2
121.02835	1.8
123.04417	0.8
125.02339	1.6
125.05965	1.1
131.03423	1.2
135.04387	1.5
135.08009	0.8
137.02351	2.3
137.05975	1.2
143.03365	1.8
145.04982	1.6
147.08076	0.9
149.02364	1.3
149.05972	0.7
151.00256	1.5
151.03928	1.0
152.01047	0.9
152.54388	0.6
159.02919	0.8
160.03925	2.1
161.04462	5.6
161.09593	1.8
161.13255	0.6
163.03900	2.7
163.11191	2.5
164.04752	0.9
165.05437	0.8
175.02444	0.9
175.03918	1.3
179.05579	1.1
181.04964	1.2
187.11177	3.0
189.09157	2.6
190.02670	1.3
193.05008	1.1
195.06537	0.7
203.10635	0.8
205.03357	1.1
205.05087	1.2
205.12291	3.1
207.10225	4.9
211.07555	0.7
223.06059	1.5
231.10298	1.4
237.06107	4.7
237.09673	3.9
247.08125	3.5
249.11266	2.1
255.03107	1.5
265.09259	31.7
266.09561	1.8
269.04538	2.3
275.11075	0.8
283.02472	0.8
284.03256	1.0
285.04050	2.6
295.10410	0.9
307.10294	3.6
324.26129	0.7
333.08270	0.7
342.14584	0.6
399.72293	0.6
447.09387	1.6
455.18921	2.8
479.19864	0.6
487.22150	1.0
497.20499	2.4
507.62881	0.7
541.29761	1.0
573.15576	1.4
583.31543	0.7
601.32532	2.0
717.29156	1.6
721.92938	0.8
735.30853	100.0
736.31305	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94898	0.3
55.83897	0.3
57.25662	0.3
59.01249	2.2
61.79115	0.3
61.98700	100.0
71.52219	0.3
71.52605	0.4
80.85960	0.3
102.16796	0.3
103.74149	0.3
132.98083	0.3
133.91463	0.3
142.69934	0.3
143.70355	0.3
149.09637	2.0
150.10008	1.1
151.10213	0.3
151.94696	0.3
225.02635	0.3
245.36560	0.3
387.13101	0.3
412.68726	0.3
569.41571	0.4
598.42059	0.4
599.42188	0.8
600.42432	1.8
611.40417	0.3
674.46558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97925	0.2
59.01244	2.0
61.98700	100.0
62.73079	0.2
70.85986	0.8
71.01250	0.5
96.07354	0.2
121.10122	0.3
121.88412	0.3
147.68602	0.2
149.09616	1.3
150.10004	0.7
171.10205	0.4
187.66980	0.3
188.20329	0.3
213.88425	0.2
223.83850	0.3
293.80286	0.3
322.90143	0.4
404.70200	0.3
599.42242	0.6
600.42786	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42810	0.2
56.58414	0.2
58.02847	10.5
59.01250	0.5
63.04398	0.2
66.28625	0.3
70.02849	5.1
71.01252	0.5
71.52036	0.5
72.00774	2.7
91.05408	2.0
93.03338	0.5
96.95922	0.3
101.02308	0.3
119.04909	0.4
135.04457	0.3
146.33186	0.2
147.04411	20.9
148.04739	1.0
160.03928	1.2
162.09108	0.3
164.07069	58.1
165.07434	2.3
206.08153	100.0
207.08482	6.0
211.71243	0.2
221.04454	0.4
250.07109	0.8
260.17606	0.3
321.06329	0.3
415.89914	0.2
483.11542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85262	0.2
55.01755	0.4
59.01233	1.5
61.98689	0.7
62.77097	0.2
63.75324	0.2
69.02957	0.5
69.03321	7.4
70.08896	1.3
71.04890	0.6
87.00780	0.3
97.06460	0.7
99.04393	12.6
104.52747	0.2
128.59145	0.2
137.09663	0.3
146.44589	0.3
165.12772	0.7
172.71193	0.3
179.87294	0.2
275.23767	7.3
276.24249	0.5
277.21692	0.3
301.21719	8.4
302.22058	0.6
313.21838	0.4
319.22742	7.0
320.22986	0.7
357.28000	0.5
401.26917	100.0
402.27237	12.8
457.56613	0.3
636.25677	0.4
733.39502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.8
56.77005	0.5
57.03315	1.7
58.00474	0.8
59.01249	69.9
60.01582	0.7
60.49694	0.5
60.80008	0.6
61.98696	7.1
68.99670	0.6
69.03310	1.9
71.01251	23.9
71.52325	0.6
71.52741	0.8
72.01596	0.6
72.99174	1.6
73.02809	7.3
75.00740	1.0
81.03327	0.7
83.01249	4.5
85.02821	14.1
85.99973	0.5
87.00745	2.3
89.02322	5.2
93.03332	58.7
94.03656	1.1
95.01259	4.4
96.95885	1.0
97.02847	1.6
99.00762	3.9
101.01704	0.9
101.02323	12.1
103.03895	2.0
106.04125	2.2
108.02059	7.6
109.02841	3.8
111.00743	1.4
112.01580	1.0
113.02335	15.9
119.03376	2.1
119.04883	2.8
120.99529	0.7
121.02822	1.0
123.04434	0.8
124.01543	0.9
125.02335	4.2
129.01747	0.8
132.72195	0.5
135.04428	0.7
137.02336	100.0
138.02618	3.4
140.49603	0.5
143.03380	3.3
147.08061	0.6
149.02347	1.3
150.03156	0.9
151.00264	1.7
152.01051	7.9
153.01892	3.1
153.09102	0.6
159.02913	0.8
161.04448	4.5
161.05614	0.8
163.03925	1.5
165.05516	1.0
175.03918	0.6
187.88348	0.6
202.56425	0.6
205.05035	0.7
219.06665	0.5
219.17464	0.8
228.70622	0.6
233.04951	0.6
241.19345	0.6
265.09323	1.9
268.03775	0.8
269.04572	2.3
289.14456	5.7
315.07074	1.4
339.12299	0.8
360.44464	0.6
367.64722	0.8
381.22794	1.9
433.18765	3.0
441.89850	0.6
478.96045	0.6
507.25848	1.2
525.27020	31.7
526.27515	5.4
527.22693	1.9
543.20276	1.1
543.28107	31.7
544.28333	5.5
558.37311	0.7
561.29321	2.6
571.21942	2.4
585.29132	16.2
586.29535	3.6
587.21710	2.7
595.24036	2.4
603.29999	4.0
604.31073	0.6
625.24182	0.7
645.30621	0.8
689.28918	0.9
718.53772	0.6
733.26801	15.7
734.27527	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	733.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	1.1
57.03320	2.1
58.00465	1.5
59.01247	100.0
60.01580	1.0
61.98690	2.4
65.00222	0.5
66.24344	0.5
67.76419	0.5
69.03335	1.3
69.77974	2.6
71.01249	41.0
72.99184	1.6
73.02812	15.0
75.00761	0.6
80.46951	0.5
81.03325	0.5
83.01258	5.6
85.02818	14.4
87.00755	2.9
88.98704	1.7
89.02306	19.2
93.03368	1.5
95.01259	5.4
95.04902	0.5
96.95876	0.5
97.02826	1.3
99.00770	2.2
99.04401	0.7
101.02317	24.5
102.02668	0.5
103.03901	1.8
108.02077	0.9
111.00775	1.1
113.02325	35.3
119.03384	7.9
119.04867	3.7
119.80698	0.6
121.02838	0.5
123.04454	0.9
124.01567	0.5
125.02322	4.4
131.03410	1.5
135.04414	0.6
137.02359	2.1
143.03395	6.2
149.04462	1.9
151.00310	0.8
152.01025	0.8
155.03386	1.0
161.04448	11.6
163.03928	2.9
167.03358	0.8
168.11392	0.6
179.05492	4.7
190.02658	1.0
203.05569	0.7
205.05147	0.7
210.97504	0.5
221.06479	0.7
223.06148	0.7
245.04387	0.7
260.62573	0.7
265.09384	1.5
269.04623	1.0
285.04071	0.5
300.02722	0.5
307.83047	0.5
428.83014	0.6
507.26138	0.8
525.27002	10.8
526.27362	2.0
531.15027	1.1
543.19507	1.2
543.28052	26.1
544.28296	4.2
561.29358	6.2
562.29688	1.1
585.28973	4.6
586.30298	0.9
603.30127	4.3
604.30621	0.9
733.29462	4.3
734.30505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99622	0.7
55.01755	1.8
57.03326	1.9
58.89050	0.6
59.01249	100.0
60.01595	0.8
61.98706	2.1
69.03334	1.7
69.25417	6.7
70.10506	0.6
71.01253	28.0
72.99165	1.4
73.02824	7.3
82.10604	0.6
83.01276	4.0
85.02819	12.1
85.03291	0.9
85.06871	0.6
87.00764	1.8
89.02312	8.0
94.37814	0.6
95.01276	4.3
97.02833	1.3
98.77699	0.6
99.00772	2.7
101.02318	13.7
101.02920	0.9
111.00796	1.1
112.01591	1.1
113.02322	19.7
113.03065	1.1
115.03933	1.4
119.03411	3.0
121.02857	2.9
124.01546	4.2
125.02309	5.8
129.01801	1.1
143.03426	4.1
152.49849	0.7
161.04492	4.0
179.05585	0.8
203.05684	0.7
265.09186	1.1
381.22989	2.0
399.23959	2.6
479.26984	0.9
489.25455	1.6
507.25839	1.9
525.27039	18.2
525.34479	1.1
526.26965	3.7
543.28094	59.9
544.28485	9.6
561.29077	17.9
562.29468	3.5
585.29199	9.3
586.29517	1.8
603.30267	11.7
604.30444	3.7
695.71436	0.8
733.32318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2708
Annotation	Umbilicaxanthoside B
Peak:m/z	Relative Intensity
55.01755	0.8
57.03320	1.4
59.01248	14.4
61.98698	5.8
69.03322	1.4
69.17543	1.3
69.17946	5.5
71.01251	11.4
72.99182	0.6
73.02819	2.8
81.03338	2.3
83.01244	2.3
85.02818	6.8
87.00759	1.2
89.02320	2.2
91.05386	0.5
93.03334	1.9
95.01262	3.6
96.95886	2.2
97.02805	1.7
98.20507	1.3
99.00760	1.5
101.02314	6.5
103.03879	1.0
104.32945	0.6
106.04138	5.5
107.04939	3.2
108.02047	80.3
109.02847	39.8
109.03613	1.2
110.03154	1.1
113.02326	6.7
116.92705	0.7
119.03418	0.8
119.04906	1.7
119.14998	0.7
121.02847	2.7
122.03570	0.6
123.00776	2.2
123.04408	2.7
125.02345	1.3
135.00829	0.7
135.04372	1.4
136.01399	0.5
137.02296	1.1
138.03108	2.0
147.07848	0.6
149.02359	3.3
151.00313	0.9
151.03899	1.4
152.01048	100.0
153.01848	25.9
153.05446	1.5
154.02243	1.3
159.08075	1.6
161.04420	1.8
163.03873	2.5
163.05113	0.7
165.01819	1.6
166.02522	0.9
167.03419	1.3
177.01804	1.1
195.02992	1.0
205.04877	0.9
229.15904	9.0
247.11081	0.6
265.09271	2.4
273.14938	25.3
274.15244	2.3
283.67899	0.8
287.16522	0.6
315.07205	17.0
316.07513	1.1
327.15729	0.8
417.19202	11.4
418.19418	1.5
527.22736	3.2
553.20526	1.0
567.22192	1.0
571.21753	75.9
572.21997	11.4
595.22150	1.1
613.23169	3.8
629.36188	1.3
647.37201	1.0
688.51740	0.7
713.53625	0.6
733.27026	95.7
734.27466	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69185	0.7
55.01754	1.3
57.03320	2.1
59.01249	62.8
60.01586	1.4
61.98699	8.8
66.41222	0.6
69.03313	1.4
69.23756	4.0
69.24179	2.9
71.00845	1.1
71.01251	21.9
72.99179	1.6
73.02815	6.3
74.25238	0.7
75.00758	0.9
81.03348	1.0
83.01252	4.3
85.02821	12.2
85.03300	1.1
85.11208	0.7
87.00757	2.8
89.02312	4.4
93.03333	58.3
94.03684	1.6
95.01263	2.8
97.02853	1.9
99.00768	3.8
101.02326	11.7
103.03913	1.4
106.04140	1.4
107.04932	1.2
108.02057	7.8
109.02830	2.8
111.00784	1.4
111.04362	0.8
112.01553	1.3
113.02328	13.7
118.16595	0.7
119.03418	1.5
119.04928	2.4
121.02856	1.8
123.04415	0.8
124.01534	1.4
125.02357	3.1
129.01839	0.7
135.06615	0.7
137.02342	100.0
138.02649	3.6
143.03383	2.2
149.02409	0.9
151.00293	1.0
151.03799	0.8
152.01064	7.2
153.01773	3.1
159.02936	1.2
161.04489	3.5
163.03940	1.3
165.05428	0.8
166.81110	0.7
167.03326	1.0
175.03860	0.9
175.11240	0.6
183.72931	0.6
198.84885	0.7
219.06448	0.8
265.09326	1.3
269.04614	1.8
273.15100	0.7
284.03360	0.9
289.14432	6.0
315.07199	2.7
339.12280	1.0
381.22983	2.1
422.69595	0.8
433.18729	2.7
434.19424	0.6
525.27039	30.2
526.27338	4.4
527.22852	1.8
543.20038	1.2
543.28009	28.5
544.28662	4.9
553.21436	0.9
561.29181	2.6
571.22229	2.2
585.29211	11.5
586.29218	3.0
587.21338	3.1
595.24121	3.1
603.29993	4.7
604.30750	0.8
689.29773	1.0
697.17236	1.1
733.27039	14.4
734.27661	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	733.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	4.9
59.01245	34.0
64.40356	0.7
71.01247	59.5
72.01576	0.7
72.99173	1.5
73.02818	1.5
83.01254	1.7
85.02818	23.3
87.00747	1.1
89.02315	21.9
95.01255	1.4
95.26482	0.6
98.19816	1.3
101.02313	14.7
102.02650	0.7
103.03884	65.8
104.04221	1.3
108.63678	0.7
109.02817	1.2
113.02327	8.9
119.03378	10.8
119.04163	1.2
131.03354	0.9
137.67946	0.7
141.47931	0.7
143.03368	2.0
145.04948	1.7
149.04553	0.9
152.01070	0.7
153.01837	0.9
157.04964	16.1
159.04393	1.1
161.04430	1.5
175.03929	3.8
176.04645	1.6
177.05467	4.4
179.05551	4.3
192.75041	0.6
203.03423	31.0
204.03714	1.7
218.65083	0.8
220.03749	0.8
221.04475	3.1
241.14430	1.4
247.08194	33.2
248.08496	1.2
265.09262	100.0
266.03625	0.6
266.09546	5.7
266.11819	0.6
266.55975	0.7
267.23111	0.9
297.81461	0.7
323.11490	3.5
357.09543	1.4
485.16568	1.8
553.19427	1.1
571.20288	23.9
572.20758	4.5
631.18823	2.0
733.25555	50.0
734.25787	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	733.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01435	0.3
63.80948	0.3
69.47367	0.3
70.71736	1.0
73.06410	0.3
75.16817	0.3
79.36238	0.3
116.04923	2.5
151.96703	0.4
160.03940	100.0
161.04279	4.7
204.02959	3.2
248.69601	0.5
340.19739	0.4
366.08255	29.3
367.08774	2.4
368.98209	0.4
379.91650	0.5
549.89032	0.4
675.56256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04792	1.2
53.36708	1.1
59.01252	14.2
60.70983	1.2
61.02905	1.2
61.98701	42.4
69.48214	4.5
69.48625	5.4
75.00748	2.5
78.91754	14.6
80.54272	1.2
80.96382	14.8
81.15005	1.3
82.27708	1.2
93.03326	1.4
208.52263	1.3
250.50621	1.2
427.14215	1.4
438.09561	1.8
441.15131	1.6
442.16544	2.0
453.12195	1.8
455.17307	8.5
456.17502	2.8
457.18814	14.3
458.18933	2.4
469.11340	2.3
473.18256	12.3
474.15317	3.9
482.12238	2.2
483.12708	2.2
485.18347	6.7
496.14053	11.2
497.14111	2.7
502.15607	1.5
505.16721	3.3
510.15195	1.8
511.15982	12.6
512.13116	20.2
513.13916	6.8
513.21191	1.9
526.14880	13.7
527.15607	16.0
528.16095	4.5
529.17511	2.2
542.35669	1.7
555.32733	1.3
560.15643	2.3
564.18231	1.5
583.18127	7.9
584.18445	3.1
597.19702	4.8
598.19604	2.0
599.21490	7.4
600.21222	3.0
613.20038	2.3
614.20178	100.0
615.20642	45.7
616.20697	6.2
629.22845	2.5
645.22595	2.0
646.19354	13.5
647.19257	4.4
651.22839	23.9
652.23389	5.3
670.24139	1.7
673.21619	5.1
674.21826	2.2
733.23560	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	731.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	8.5
61.98702	9.5
71.01234	2.7
71.01613	1.5
73.02814	5.9
80.02528	1.8
80.96392	2.6
85.02806	3.7
87.04386	8.1
87.29453	0.6
97.06471	0.7
106.04135	2.9
121.10107	15.0
136.99084	0.6
149.09618	100.0
150.09947	5.1
167.10713	1.6
212.93414	0.7
373.27438	2.5
399.28729	1.1
447.31110	1.4
523.38098	1.5
535.38135	1.7
549.39764	1.5
567.40527	22.6
568.40851	5.3
597.41541	56.4
598.42072	14.3
623.43127	10.4
624.43689	1.8
634.23950	1.4
671.45203	22.7
672.45532	5.8
731.37390	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	732.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.6
61.98700	100.0
62.09539	0.3
80.96407	0.5
87.04394	0.3
88.98695	0.4
98.20577	0.5
130.93617	0.3
147.08060	0.7
148.08438	0.3
149.09644	0.8
153.97343	0.3
159.04637	0.3
209.11816	0.3
210.94624	0.3
279.23044	0.3
474.75104	0.3
546.06201	0.2
568.40588	0.4
572.61047	0.3
575.28192	0.3
593.07050	0.3
597.40778	0.4
598.41504	1.2
624.66235	0.3
732.37677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42038	0.2
59.01250	1.1
61.98700	100.0
62.98419	0.3
63.99125	0.8
71.01254	0.3
91.51374	0.2
118.76353	0.2
119.59274	0.2
133.32875	0.2
147.08098	0.9
148.08421	0.6
171.10205	0.4
190.04427	0.3
193.08893	0.2
195.83504	0.2
253.21732	0.7
378.62210	0.3
446.45569	0.3
597.40991	0.3
598.41095	0.6
726.10120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.9
61.98700	100.0
73.94682	0.2
80.96400	0.4
87.04370	0.3
96.81535	0.4
147.08096	1.5
148.08380	1.2
149.09645	1.9
150.09935	0.4
159.91539	0.3
161.34576	0.3
185.34114	0.3
209.11633	0.3
220.23416	0.3
229.23280	0.5
567.39850	0.8
568.40271	1.0
597.40869	1.3
598.41516	1.8
624.43243	0.5
672.45526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79588	4.8
59.01250	100.0
59.66372	5.7
61.98699	68.0
71.01250	8.8
71.19414	9.7
75.92300	4.8
81.40165	5.0
85.70219	5.6
87.03458	5.2
88.98675	15.5
89.02296	7.1
96.95910	7.8
109.01250	4.6
116.92685	7.8
120.50210	4.8
125.09593	9.5
135.33841	5.5
171.10144	16.3
193.42064	4.9
201.11252	7.6
209.11856	6.7
482.65536	7.6
581.69403	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	731.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46630	1.0
57.03317	7.1
59.00959	1.8
59.01252	29.6
61.98699	3.0
66.42294	1.0
69.03317	1.1
71.01251	25.6
71.04868	1.2
72.99176	2.9
73.02811	5.6
75.00710	1.1
76.65226	0.9
76.73112	0.9
83.01225	2.6
85.02350	1.8
85.02826	21.6
87.00750	3.9
89.02313	14.4
93.03333	3.7
95.01183	2.0
95.04913	8.6
96.95857	1.5
97.02809	2.4
99.00736	1.4
101.02318	13.6
101.05933	1.0
103.03886	43.9
103.52744	1.0
107.04871	1.3
108.02059	4.1
109.02850	3.2
111.00707	1.5
111.04423	2.3
113.02324	11.8
115.03877	6.5
119.01297	1.4
119.03372	6.4
119.04890	3.1
121.02833	3.9
123.04420	1.4
125.02309	1.7
134.03465	1.2
135.04419	2.2
136.01489	1.2
137.02303	3.3
137.05946	1.1
139.03902	7.8
140.95972	1.1
145.04948	2.3
147.04398	2.3
148.01520	1.7
149.02348	23.7
150.03099	2.1
151.00221	1.3
151.03900	1.8
152.01021	4.2
153.01848	2.1
157.04959	1.8
160.03867	2.5
161.04431	4.1
163.03917	3.5
164.04707	18.8
165.05490	2.7
173.04405	1.0
175.00284	8.3
175.03903	1.8
175.11211	1.2
176.01053	9.6
179.06972	2.3
190.02649	33.1
191.03412	12.1
205.05008	34.2
206.05367	1.7
208.03816	1.3
209.04478	3.1
221.08145	1.3
223.06056	18.9
224.06363	1.7
226.06303	1.9
241.08743	1.8
241.14371	1.6
245.04485	2.1
247.08168	2.4
252.07881	1.3
259.08289	1.9
265.09286	48.1
266.09692	2.1
271.02533	3.2
272.02844	2.9
273.02682	1.6
277.09296	3.0
283.92596	1.1
299.01874	4.8
300.02368	4.8
301.02728	3.2
302.03638	1.4
303.04138	1.5
315.07120	1.3
322.56271	1.2
345.15454	1.4
353.09195	1.3
367.10391	5.1
439.15698	1.5
451.12564	5.7
483.15097	5.2
489.21924	1.3
507.15439	2.1
523.90588	1.3
525.18219	61.2
526.18488	7.1
543.14893	1.3
568.11243	2.5
569.11859	1.5
585.18054	1.2
687.25049	5.6
731.24121	100.0
732.24249	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.8
57.03325	6.7
58.00458	0.7
59.00959	1.3
59.01246	23.5
61.98690	2.9
69.03293	1.8
69.65550	1.6
69.65971	2.3
71.01252	19.2
71.04866	0.8
72.99177	1.5
73.02802	3.7
75.00747	1.0
80.96362	1.9
83.01251	1.8
85.02821	20.0
87.00735	2.5
89.01815	0.9
89.02313	8.0
93.03331	18.9
95.01257	4.0
96.95874	2.1
97.02802	1.9
99.00725	1.8
99.04384	0.9
101.02312	9.3
103.03886	46.6
104.04209	0.9
107.01256	0.7
107.04890	1.2
108.02041	4.6
109.02847	1.3
111.00694	1.8
113.02327	6.1
119.03377	4.1
119.04867	1.7
121.02827	4.3
123.04398	1.1
125.02293	1.7
129.06995	3.8
134.03622	1.0
135.04344	2.2
136.01552	18.0
137.02338	47.6
138.02657	1.5
139.03902	1.2
141.10942	0.6
143.03389	1.3
145.04970	1.3
145.06419	0.8
147.04370	0.8
147.08051	6.8
149.02296	1.9
150.03117	0.8
151.00250	1.4
151.03876	2.9
152.01021	1.7
153.01775	1.4
157.04991	0.9
161.04460	1.7
161.05898	0.8
161.09619	0.8
163.03851	1.1
164.98454	0.8
165.05435	1.3
171.08112	0.8
173.05975	7.5
175.03966	0.9
179.03415	24.8
179.05295	1.2
179.05580	1.2
180.03764	0.9
182.02106	0.7
187.07521	1.9
188.06920	0.7
189.83824	0.7
190.02608	0.7
191.07059	15.6
192.07298	0.9
195.06482	1.2
205.05066	0.9
205.08585	2.6
209.04449	2.3
215.07019	1.7
216.04204	1.4
217.05029	8.6
231.06520	1.3
233.08125	4.5
235.06017	2.3
239.05539	8.9
241.05017	0.8
241.14432	0.9
247.08142	1.6
257.69513	0.6
259.06021	1.7
265.09271	33.2
266.09555	1.7
269.04379	1.6
271.09634	1.2
277.07144	7.1
281.06564	1.1
293.10260	1.4
299.07599	0.8
309.11450	0.7
319.08188	1.0
337.09152	1.3
367.10080	2.0
385.11343	9.6
417.15939	0.7
439.16104	2.4
465.13754	6.1
483.14972	22.1
484.15231	1.3
525.15918	5.0
526.16943	0.9
555.17084	2.5
585.18109	8.4
627.19586	1.3
645.20374	14.8
646.20636	1.7
713.23291	0.8
731.23889	100.0
732.24274	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	730.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63278	0.2
59.01237	0.8
61.98699	100.0
62.10785	0.2
68.21500	0.2
68.93497	0.2
72.54028	0.2
75.00730	0.8
80.96375	0.8
81.69831	0.2
87.04410	0.5
94.98009	0.2
96.38258	0.2
98.20525	0.3
116.03448	0.2
121.10141	0.6
149.09616	2.8
171.10187	0.8
172.10510	0.5
173.10779	0.2
188.22600	0.2
221.61343	0.2
277.21756	0.7
278.22043	0.8
279.22574	0.5
297.74112	0.2
321.86713	0.2
567.40631	0.6
597.41718	1.8
623.43329	0.3
634.24811	0.3
731.36481	0.9
759.58917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.1
61.98699	100.0
62.98415	0.2
67.31386	0.2
71.01254	0.3
75.00745	2.1
80.96399	0.8
84.11923	0.2
87.04365	0.3
98.20653	0.5
121.10085	0.3
149.09627	2.1
171.10246	1.0
172.10521	0.5
173.10628	0.2
208.27606	0.2
229.24789	0.3
277.21805	0.6
278.22137	0.8
279.22522	0.5
280.22552	0.3
294.07614	0.3
567.41150	0.5
597.41760	1.0
623.43756	0.3
665.43207	0.2
731.36963	1.0
741.60754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.3
60.83879	0.8
60.99176	19.3
61.98703	23.1
62.96511	0.9
70.00825	1.7
70.01219	2.3
87.00744	7.3
88.00272	1.2
88.98676	100.0
89.02314	23.9
100.52121	0.9
147.07979	1.7
149.94817	1.0
236.46213	0.9
395.46631	1.0
438.13306	2.0
439.13611	1.1
467.13730	2.3
469.97519	0.9
481.15125	16.1
482.15601	9.0
483.14981	1.2
495.16522	1.7
497.18216	3.8
514.14984	7.2
515.14954	1.3
523.52448	0.9
528.16473	1.0
540.16193	4.0
541.17261	1.1
555.18829	35.4
556.19043	9.3
572.15485	6.9
573.15253	1.5
596.40137	1.2
641.22827	1.5
659.23468	24.8
660.24091	6.6
731.25494	5.6
732.25604	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	729.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	9.7
61.98705	1.3
65.03850	1.0
71.01281	3.9
71.85899	0.7
73.02820	6.7
76.43423	0.7
85.02827	2.9
87.04390	9.5
97.06445	1.6
97.53039	0.8
104.97048	0.7
106.04128	2.4
119.08553	9.7
132.05736	0.8
142.74602	0.8
147.08058	100.0
148.08337	3.6
165.09070	0.9
198.06964	0.8
206.47675	0.7
274.06470	0.8
329.67386	0.8
373.27408	1.3
417.29858	1.0
447.30933	1.3
447.54471	0.8
521.36346	2.0
533.36224	2.4
547.37720	1.4
565.30243	1.6
565.38934	26.7
566.39313	4.6
595.40033	74.9
596.40356	15.8
603.41046	1.1
621.41486	10.9
622.42047	2.2
669.43677	18.1
670.43933	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	729.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01571	1.1
61.98697	9.5
67.01758	1.7
71.01232	0.8
71.52434	0.9
71.52886	1.1
73.02822	1.5
78.95784	0.9
79.95608	1.9
80.02579	1.0
81.03311	1.0
96.95914	0.9
99.92449	1.9
106.04153	1.1
107.04916	1.8
111.63991	0.8
116.92767	1.3
119.04936	2.9
121.06479	5.2
123.08060	0.9
132.68733	0.8
145.06488	0.9
152.99399	0.9
163.07553	2.3
165.09128	21.4
166.09531	0.8
171.10155	1.0
296.90793	0.9
343.24796	2.2
350.14816	1.0
456.21246	0.9
515.33624	2.3
539.37744	1.4
567.37213	1.6
573.38098	1.1
603.40588	4.5
621.41803	2.9
625.40704	1.2
628.21124	1.1
651.44012	1.0
669.43695	22.5
670.44086	5.3
729.13855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	19.4
61.45494	0.7
61.98688	2.6
62.78261	0.8
70.54195	2.2
71.01243	2.2
73.02822	5.8
83.65298	0.7
85.02834	4.0
87.04385	15.4
106.04161	1.9
119.08538	9.2
121.02837	2.8
121.10116	1.3
135.98221	0.8
145.06572	0.9
147.08051	100.0
148.08340	4.9
173.08110	1.4
184.43793	0.8
191.73460	0.9
218.98734	0.9
356.71008	0.7
373.27573	1.0
417.30200	1.1
439.94653	0.9
521.36200	0.9
533.36267	2.4
565.38892	30.7
566.39227	7.1
595.39990	81.7
596.40240	17.6
621.41504	16.5
622.41772	4.1
633.41064	1.1
651.08679	1.0
669.43829	10.0
670.43976	2.9
670.83441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01586	0.8
61.98701	3.3
65.03830	4.1
67.01776	0.4
68.75939	0.3
71.01251	1.0
73.02830	1.2
78.95793	0.4
81.03332	4.2
93.03328	9.9
107.04932	0.7
108.15559	0.4
111.04404	0.6
147.08081	0.8
150.23093	0.4
163.07571	1.4
165.09135	6.7
166.09506	0.4
183.10275	0.4
357.36050	0.4
373.27557	1.1
446.96286	0.4
455.31830	0.9
467.31732	2.6
468.32040	0.4
479.31802	1.1
503.33752	0.9
515.33875	1.5
523.34467	0.8
549.35889	5.5
550.36530	0.9
567.36871	2.5
597.37939	20.3
598.38171	3.3
611.39264	0.6
621.41925	0.4
650.83154	0.4
651.43146	1.2
669.43542	3.6
670.44604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.3
60.66755	0.6
61.98700	100.0
70.09309	3.1
71.01244	2.9
73.02815	6.8
85.02833	4.1
87.04391	9.5
89.02322	1.4
89.06384	0.6
97.06467	1.3
101.02302	0.7
106.04144	1.9
119.08541	7.8
121.10088	0.8
125.02372	0.7
129.06999	0.7
145.06511	1.0
147.08052	86.9
148.08380	4.1
165.09055	1.0
269.24814	1.5
270.25174	1.8
296.50620	0.6
369.86523	0.7
396.88086	0.7
397.13467	1.3
398.14096	1.9
399.13879	2.1
416.15048	0.8
417.30014	0.8
466.50552	0.8
469.72903	0.8
521.36237	0.8
533.36224	2.9
565.38922	22.7
566.39355	5.7
595.40009	63.6
596.40393	13.7
603.40912	0.8
621.41504	9.4
622.41516	2.2
669.43701	12.8
670.43628	4.1
718.04034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.5
57.03318	3.7
59.01250	91.3
61.98701	23.8
69.03322	1.8
71.01250	31.6
72.99184	5.8
73.02815	11.7
75.00731	7.9
76.85790	1.5
78.95785	1.8
83.01263	7.7
83.04933	1.9
85.02818	15.5
85.99981	2.2
87.00743	6.1
87.04382	4.1
88.18921	1.4
89.02328	8.2
95.01257	2.6
96.95889	2.3
97.02807	1.9
98.19749	3.4
99.00751	24.4
100.01543	4.1
101.02326	17.5
101.05956	2.9
108.01980	1.8
111.00760	15.9
112.01537	1.6
113.02321	9.3
113.99475	53.5
115.00275	8.9
119.03372	3.7
119.04932	2.0
121.02837	2.4
124.98701	1.9
125.02328	2.3
125.06029	2.1
128.01056	4.7
129.01843	7.9
136.03937	1.5
137.99521	1.6
146.58719	1.3
147.25797	1.3
151.03925	1.6
156.00539	42.2
157.01215	1.9
161.04417	2.4
174.01610	22.0
241.14413	1.7
269.04651	2.4
283.28128	1.7
342.10910	1.7
363.25204	2.4
381.26724	2.0
521.30670	1.7
523.29321	2.0
525.30511	2.6
537.30670	7.5
539.32495	3.1
543.31934	2.9
551.32434	1.9
555.31702	4.3
565.29950	3.8
567.31702	59.4
568.31958	13.5
569.33252	5.3
570.33752	2.3
581.33203	4.2
583.31116	3.6
585.32831	24.6
586.32892	3.7
595.33496	2.1
621.32849	2.0
623.34302	1.8
625.32166	100.0
626.32635	22.1
637.32391	8.1
638.59167	2.0
649.31702	2.2
667.33282	2.7
669.40472	2.1
685.41864	10.1
686.41516	2.4
729.43109	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	729.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31124	1.4
57.03315	5.5
59.00957	2.5
59.01248	46.3
61.98700	23.9
65.00184	1.4
71.01253	25.3
72.99185	4.2
73.02821	8.8
74.07057	1.5
74.98949	2.3
75.00746	11.2
78.10039	1.3
81.03331	5.3
83.01259	12.3
83.04933	2.1
85.02819	10.7
87.00764	3.5
88.98657	2.5
89.02317	10.6
93.03345	6.8
95.01230	2.8
96.95878	3.1
98.16973	1.4
99.00735	3.2
99.04396	1.5
99.06244	1.5
101.02310	19.1
103.03864	3.9
107.04875	2.7
108.02053	12.9
109.02824	6.3
111.00738	3.2
113.02325	10.0
119.03383	3.0
119.04899	5.6
121.02847	7.4
122.03635	2.1
123.04426	7.0
124.01525	4.3
124.38573	1.5
125.02325	4.0
133.55518	1.3
134.03610	2.8
135.04405	3.3
137.02339	9.7
137.05942	4.4
138.03110	1.7
139.03879	1.2
143.03416	1.8
149.02342	4.7
149.06003	1.7
150.03139	1.9
150.06734	3.9
151.00262	4.5
151.03896	2.8
151.07460	1.9
152.01027	14.1
152.04692	1.9
153.01875	7.1
161.04428	4.6
161.05753	1.6
163.03876	5.2
163.07506	2.9
164.04651	4.4
165.01831	3.5
165.05513	3.4
166.02628	15.9
167.03363	5.0
175.00284	2.8
175.03929	2.3
176.01108	2.2
177.01813	4.8
177.05399	1.4
177.09116	1.7
178.06224	1.7
179.03421	18.5
179.05066	1.8
179.05565	1.6
179.06996	2.5
179.10626	3.0
180.04124	6.2
189.09129	2.3
190.02618	7.7
191.02057	1.2
191.03464	10.7
191.06987	1.5
192.04155	4.5
193.04945	2.6
205.05067	7.2
206.05722	1.6
207.02701	1.7
209.04453	2.0
219.06563	1.8
220.07199	1.6
223.06010	4.6
233.08078	2.7
241.14351	2.2
257.15387	5.1
259.13434	2.7
259.17047	4.2
261.14886	5.6
265.06668	1.7
265.09259	2.3
269.04547	4.0
271.05978	1.8
272.05548	3.7
275.16531	2.2
277.14395	5.9
285.07413	1.9
301.14435	17.1
303.15955	22.0
315.07260	15.7
319.15472	100.0
320.15784	9.7
339.07202	4.4
343.15488	16.7
348.27719	1.5
361.16473	4.1
383.06281	4.1
401.07401	2.2
439.19528	7.0
463.19400	2.0
481.14456	2.3
481.20734	65.5
482.20990	10.1
497.44031	1.4
518.39594	1.5
523.21826	73.7
524.22174	10.5
547.22424	1.6
565.22699	6.2
567.22540	3.9
595.23798	3.1
601.22467	1.7
685.27051	16.9
685.37549	3.2
686.26770	2.7
728.39209	6.0
729.27374	10.0
729.39850	18.9
730.26031	2.4
730.40338	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	729.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.5
59.01251	28.2
60.01568	0.7
61.98705	8.2
67.01767	0.5
69.03308	0.9
71.00850	0.7
71.01255	13.5
71.52496	0.5
71.52873	0.8
72.99154	1.4
73.02803	4.0
75.00740	4.7
81.03339	2.7
83.01257	8.5
83.04871	1.1
85.02822	6.1
86.58727	0.5
87.00732	1.3
89.02300	3.5
93.03333	3.1
95.01261	1.6
95.04842	0.5
96.95882	2.0
97.02854	1.2
98.51968	0.5
99.00742	0.8
99.04398	1.1
101.02325	7.8
107.04909	0.9
108.02041	2.0
109.02834	0.7
111.00770	1.0
113.02315	5.3
119.03378	2.0
119.04888	3.3
121.02843	1.9
122.03589	0.6
123.04412	3.3
124.01533	3.8
125.02333	2.5
134.03619	0.7
135.00829	0.6
135.04411	1.4
136.05200	8.0
137.02342	5.1
137.05919	0.9
138.03075	2.0
139.03870	0.7
145.02864	0.8
147.08066	0.9
148.05162	0.6
149.02338	1.4
149.05963	1.9
150.03084	1.0
150.06734	1.0
151.00253	4.0
151.03975	0.9
151.07558	1.8
152.01024	1.4
153.01883	1.1
160.03955	0.6
161.02328	1.6
161.04468	1.3
161.05963	1.0
162.06741	0.9
163.00151	0.6
163.03888	2.3
163.07542	1.2
164.04723	1.4
164.08290	0.8
165.01813	0.6
165.05443	0.7
165.09146	3.2
166.02632	10.4
167.03320	1.9
171.10074	0.6
175.00185	0.8
175.03838	0.8
175.07631	0.9
177.01910	0.9
177.05399	0.7
177.09056	0.9
179.03413	9.7
179.05054	0.9
179.05615	0.8
179.07068	0.5
180.04123	1.4
189.09180	0.6
190.02644	2.2
191.03394	3.7
191.07082	0.9
192.04178	1.1
193.04822	0.6
195.06540	0.7
203.03502	0.6
205.05048	3.8
217.04964	0.8
217.08698	0.7
219.06543	1.7
221.08131	0.8
223.06032	1.2
229.04970	0.7
233.08188	1.5
233.15378	0.7
241.14442	1.4
245.08124	0.7
257.15540	0.9
259.13278	0.8
259.17096	2.9
261.14951	5.1
265.09042	0.7
269.04559	1.4
271.06146	2.6
273.14880	0.8
277.14471	1.9
286.09286	0.6
289.14447	1.4
301.14450	2.2
303.16003	10.9
304.16376	1.5
315.07724	0.5
319.15442	2.7
327.15875	0.7
343.15421	3.2
355.17514	0.7
395.20691	1.1
419.31552	2.0
421.18686	1.5
433.18317	0.6
435.30969	1.6
437.21945	0.7
439.19724	4.0
463.19650	2.4
463.30478	1.2
481.20844	17.1
481.27084	0.7
481.31604	1.0
482.21237	2.3
514.41083	0.7
523.21814	100.0
524.22186	15.1
547.21710	2.0
565.22778	1.5
625.35260	0.8
639.24408	1.0
643.36523	1.0
685.27014	13.4
685.38141	11.4
686.27301	2.5
686.38025	1.0
729.28009	2.6
729.40063	2.7
730.29315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.1
59.01250	10.8
61.98690	2.1
65.00185	1.3
70.82659	0.5
71.01241	5.3
72.99190	1.0
73.02799	1.7
81.97493	0.6
83.01254	1.5
85.02813	4.6
87.00758	1.5
88.98692	0.7
89.02306	2.6
93.03330	1.9
95.01269	1.0
96.95878	0.6
101.02328	4.4
103.03888	1.1
106.04128	1.6
107.01296	3.0
107.04816	0.5
108.02061	5.9
109.02841	5.6
111.00758	1.4
113.02317	2.4
116.92718	0.8
119.04896	1.3
121.02826	2.2
123.04401	1.2
125.02367	1.4
133.02826	1.3
135.04376	1.8
135.63409	0.5
136.01529	0.8
137.02371	1.8
147.04430	0.7
147.08081	0.9
149.02324	1.3
150.03148	1.0
151.00272	6.8
151.03806	0.7
152.01060	5.4
153.01802	2.6
160.03967	0.9
161.02261	0.8
161.04466	1.5
163.00217	0.9
163.03844	1.1
164.04747	1.1
165.01868	0.7
166.02621	0.6
167.03444	0.8
171.04451	2.0
173.06023	0.7
175.00241	1.5
175.03928	1.6
175.11194	1.0
178.99814	1.3
187.03868	1.0
189.01750	0.6
190.02644	0.9
191.05527	0.7
193.05060	0.5
197.02454	0.7
198.03186	0.9
199.03934	4.4
201.01892	1.9
201.05496	1.1
201.74017	0.5
203.03488	1.1
205.04988	1.2
211.03857	1.4
215.03412	2.2
226.02571	1.7
227.03430	3.7
227.14420	0.8
243.02945	6.1
245.15497	1.6
254.02103	0.9
255.02911	2.7
255.12355	0.9
257.15421	15.1
258.15839	0.7
269.04486	0.7
271.02457	68.8
272.02802	4.8
275.16519	1.7
285.04120	0.9
289.14474	7.5
295.10321	1.4
299.01941	100.0
300.02524	17.2
301.03506	35.6
302.03751	2.7
313.03537	0.9
315.07037	0.9
331.15500	5.3
343.04492	1.0
372.63821	0.7
391.17691	2.8
463.08749	11.5
479.23169	1.6
507.22485	2.8
523.21735	4.1
566.10602	15.4
567.11383	20.3
567.24384	9.5
568.12012	2.3
568.24591	0.7
603.96063	0.7
685.23718	6.8
728.34680	1.0
729.16803	55.3
729.29810	8.7
730.17017	10.2
730.28699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	78.8
59.59728	1.9
61.98697	21.1
71.01236	3.7
71.52596	3.0
73.02822	6.5
75.72126	1.9
79.07963	1.8
80.07712	2.3
83.00617	2.1
91.05400	7.3
96.95874	2.7
106.69814	1.9
117.03349	2.4
119.04901	23.3
145.06482	13.0
163.07506	2.5
171.13809	100.0
172.14165	5.4
181.55917	2.0
197.11833	2.8
217.05008	2.6
247.02173	2.0
269.07050	2.0
335.09241	15.6
343.24869	2.3
391.17838	11.2
433.05664	3.1
442.34668	2.0
493.33154	6.2
505.32599	2.4
519.35156	2.4
575.37170	8.6
593.38580	5.0
601.38922	4.0
623.39435	37.6
624.39594	6.3
649.41028	19.3
650.41162	6.6
652.73053	2.3
667.25983	10.0
668.26556	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	729.1671
Annotation	cyanidin 3-O-glucoside-7-O-(6-O-(p-hydroxybenzoyl)-glucoside)
Peak:m/z	Relative Intensity
55.25896	0.4
59.01245	1.5
60.50477	0.4
62.04348	0.4
65.00185	2.0
65.39138	0.4
66.83017	0.3
67.00074	0.5
69.24034	0.5
69.69850	2.3
71.01244	1.3
83.01244	1.6
83.44222	0.4
85.02820	0.9
87.00722	0.6
93.03327	5.8
95.01284	0.7
96.95880	0.5
98.20535	0.9
101.02294	1.0
107.01267	4.2
108.02049	0.5
121.02798	1.0
123.00690	0.5
136.43068	0.4
136.96959	0.5
137.02332	5.7
143.04994	0.6
151.00256	13.8
163.00243	0.9
164.01018	0.9
167.83008	0.4
169.01309	1.7
169.06473	0.7
169.38689	0.5
175.00273	0.9
179.03387	0.8
183.04422	0.6
185.05959	0.7
185.11195	0.5
187.03818	0.6
211.03902	1.1
213.05508	0.9
227.03470	2.5
229.04955	1.6
239.03439	1.5
239.05635	0.7
240.04196	0.9
241.05058	2.3
255.02963	10.1
256.03442	1.2
257.04599	2.6
257.13965	0.7
281.06677	0.7
283.02478	10.8
284.03238	16.8
285.04010	77.5
286.04428	5.1
327.05142	1.7
402.53519	0.5
566.10449	0.5
567.11395	100.0
568.11743	16.0
609.11951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	14.8
59.09995	0.2
62.20555	0.2
71.01251	1.2
71.09953	0.5
73.02808	0.3
75.00745	0.6
85.02811	0.5
89.02326	1.4
101.02310	1.1
113.02324	0.8
119.03403	0.3
125.09603	0.5
127.11181	1.8
143.03438	0.3
153.09108	0.5
161.04472	0.8
167.02071	0.2
171.10172	100.0
172.10532	4.0
209.11818	0.3
235.08165	1.8
253.09248	5.0
277.21707	47.2
278.22012	4.3
407.19177	2.4
408.19363	0.3
467.34094	0.3
513.30762	0.5
748.81146	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46191	0.3
55.01743	0.4
57.60370	0.4
59.01246	19.9
59.73125	0.4
71.01250	2.1
71.09602	0.5
71.09940	0.4
73.02809	0.5
76.79295	0.4
77.01478	0.4
85.02826	0.7
87.00743	0.5
89.02313	1.4
101.02338	1.8
113.02329	1.1
125.09605	0.7
127.11154	1.2
145.04997	0.4
161.04471	1.0
165.00069	0.4
171.10168	85.4
172.10521	3.7
204.91533	0.4
209.11766	1.2
235.08147	3.2
253.09238	7.7
277.21695	100.0
278.22037	9.7
281.24866	1.8
407.19061	1.0
408.14417	0.4
513.30621	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.9
57.03316	1.5
59.01249	100.0
60.01581	1.1
61.98704	19.9
69.47433	0.6
71.01250	21.1
71.53412	0.8
72.99168	1.6
73.02827	7.4
75.00740	1.1
83.01266	3.4
83.04880	0.7
85.02824	9.2
85.03301	1.0
85.99935	0.9
87.00728	1.1
87.04390	1.6
88.98674	0.8
89.02332	3.3
93.03357	1.1
95.01276	1.9
97.02854	0.7
99.00755	3.4
101.01292	0.7
101.02325	13.7
103.03873	0.7
109.02901	0.8
111.00779	1.3
113.02328	8.4
113.99463	0.9
119.03400	1.1
119.04929	2.0
121.02876	2.1
125.02383	1.0
129.01860	0.7
135.04466	0.9
137.02299	0.9
139.07555	0.8
143.03453	0.8
148.03856	0.6
149.02361	1.6
149.06032	0.8
151.00333	0.6
159.02927	1.5
161.04456	3.8
163.03958	1.2
164.04706	1.2
165.05583	0.8
174.01634	1.5
175.07593	0.7
190.02663	2.0
195.06519	0.7
195.13783	1.0
205.03389	0.8
205.05055	2.8
209.11880	0.8
223.06161	1.6
241.14491	1.3
245.08124	1.0
269.04599	1.1
285.04120	1.4
317.15549	1.3
326.55502	0.6
373.27637	0.9
387.29205	1.1
388.16379	0.6
399.29092	1.8
429.29834	0.8
429.56903	0.6
447.31116	18.6
447.36926	1.1
448.31543	2.8
454.50107	0.6
488.03113	0.7
505.35324	3.1
609.36359	13.0
610.37445	2.6
611.84705	0.6
623.31061	2.3
649.39545	1.5
653.35559	1.4
667.40582	71.5
668.40942	16.2
683.39148	1.4
711.39996	1.9
727.27789	0.6
727.42743	8.1
728.42444	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	726.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.2
61.98701	100.0
62.98428	0.2
70.17517	0.2
71.01257	0.8
71.32230	0.3
73.02859	0.2
74.29401	0.2
85.02833	0.5
99.00745	0.2
101.02364	0.6
113.02370	0.4
151.40358	0.2
160.03911	0.3
161.04543	0.2
201.11243	1.0
216.67543	0.2
233.99532	0.2
262.93390	0.2
289.18176	0.3
309.20734	0.5
577.30042	0.2
663.37506	4.7
663.47827	0.3
664.38226	0.8
740.42749	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32798	0.7
55.23601	0.7
56.76421	0.6
57.03355	1.3
58.00500	0.6
59.01247	12.7
60.01606	0.7
61.64905	0.7
61.98702	5.2
63.02322	0.9
63.94887	0.7
65.00226	1.2
67.93878	0.7
69.33743	5.6
71.01247	8.9
72.99230	1.0
73.02853	3.1
75.00778	1.1
78.71529	0.7
83.01283	1.3
85.02829	3.8
87.00802	2.1
89.02312	4.3
93.03325	5.1
95.01303	1.6
96.95936	1.4
98.38877	0.8
99.00786	1.1
101.02304	5.4
103.03875	1.1
103.75272	0.6
106.04179	1.3
107.01314	1.4
107.04979	1.1
108.02036	4.9
109.02892	2.6
111.00761	0.8
113.02365	2.1
117.03412	2.5
118.97969	1.0
119.03412	1.6
119.04999	0.9
120.99531	3.5
121.02838	0.9
123.04469	0.9
125.02397	1.4
133.02948	0.8
134.03607	0.8
135.04477	1.2
137.02319	5.1
149.02377	1.1
151.00281	4.1
152.01085	6.3
153.01886	3.1
159.04425	1.5
161.04492	0.9
169.01411	0.8
171.04373	1.5
173.00914	0.7
178.02457	0.9
178.99832	1.0
181.04985	0.8
183.04428	4.3
187.03925	1.1
187.11127	0.8
211.03947	3.2
223.05960	0.9
225.84856	0.8
226.02704	0.8
227.03442	8.6
229.05013	0.9
239.03429	1.0
255.02962	55.0
256.03333	4.3
265.09372	1.7
269.04565	1.2
271.06213	1.2
283.02460	100.0
284.03131	24.7
285.04016	93.5
286.04364	5.9
297.04034	1.7
315.07144	1.2
327.05014	5.0
447.09271	48.5
448.09460	4.8
461.19678	1.3
478.20554	2.1
479.20535	2.0
489.10507	4.5
502.20636	1.9
503.21033	2.1
520.21765	5.6
521.22229	9.7
564.12695	12.2
565.12463	4.3
565.26831	2.0
609.14221	1.0
666.36572	1.1
667.38013	2.3
683.28540	2.3
685.39105	1.2
727.18268	32.3
728.18280	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	726.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20301	0.4
52.25665	0.5
53.92065	0.5
57.03326	1.2
59.00958	1.0
59.01250	19.0
59.83613	0.6
61.98698	11.5
69.03308	0.6
69.40336	3.5
71.01251	12.3
72.99172	0.8
73.02816	7.5
79.95576	0.4
82.63562	0.4
83.01263	3.0
83.04906	0.6
85.02815	4.8
86.03133	0.5
87.00741	1.8
89.02316	4.0
93.03332	1.7
95.01254	0.8
96.95865	1.1
97.02807	0.6
99.00752	1.3
101.02317	7.9
103.03858	1.3
106.04118	4.1
107.04891	1.6
108.02082	3.2
109.02830	2.5
111.00755	0.6
113.02316	3.5
115.00230	0.9
118.97903	0.6
119.03388	1.2
119.04915	2.2
121.02842	2.0
122.03625	0.7
123.04458	0.6
125.02318	1.1
129.01793	0.8
131.03419	0.5
131.25859	0.5
134.03622	2.7
137.02313	1.0
137.05893	0.6
138.03114	0.9
143.03400	0.8
145.02834	0.5
146.79434	0.5
147.04413	0.5
149.02316	1.1
150.03159	1.2
151.03990	0.9
152.01077	4.8
153.01825	2.1
159.03104	1.3
159.07990	0.7
161.04451	1.2
161.05898	0.4
161.09579	0.6
163.03938	1.3
164.04654	1.1
165.05284	0.5
166.02599	2.1
175.00278	0.5
175.03743	0.5
175.11218	2.2
176.00996	0.8
177.01604	0.6
182.02122	0.5
187.07558	0.6
187.11157	0.9
190.02629	2.8
191.01842	0.8
191.03358	1.3
198.05481	1.1
199.06177	2.2
205.05083	2.3
206.05373	0.7
213.07753	0.8
223.06020	1.1
226.06326	0.5
227.14334	1.3
229.15967	5.3
233.10197	0.6
245.15388	1.8
254.09340	0.8
255.13998	0.6
265.09296	1.2
269.04535	0.6
271.05933	0.6
271.13409	1.5
273.14957	2.1
280.13394	5.9
282.14960	10.7
283.15417	0.8
289.14279	1.1
298.14459	8.2
299.14725	0.9
300.16052	9.1
301.16229	1.0
315.07193	1.4
367.10104	0.6
368.10608	0.8
389.19684	0.7
407.20847	2.9
433.18567	0.9
460.19690	2.0
461.20331	0.6
475.19608	3.5
478.20892	4.7
479.20120	0.8
502.20950	8.8
503.20905	1.0
520.21844	100.0
521.22144	14.4
565.19312	2.8
565.27673	0.6
571.37701	0.5
596.19080	0.6
622.38373	1.1
650.25470	0.7
665.37335	0.6
667.22504	0.5
667.38873	1.3
685.39368	0.8
726.21564	3.7
726.33386	1.6
727.23608	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	726.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.7
56.52859	1.4
57.03326	3.8
58.00468	2.3
58.01494	1.3
59.01251	69.8
61.98703	27.7
68.99699	1.6
69.03336	1.8
70.55097	4.0
71.01252	41.3
72.01608	1.5
72.99183	5.9
73.02812	12.7
74.58455	1.3
74.98965	1.8
75.00744	3.3
83.01279	6.6
83.04920	1.6
85.02825	15.7
87.00749	5.2
87.04390	4.5
88.66486	1.6
88.98696	1.5
89.02316	13.8
93.03345	6.4
95.01249	3.8
96.95903	2.6
98.19859	1.4
99.00761	5.1
101.02320	22.3
103.03876	2.2
106.04104	5.5
107.04900	4.0
108.02081	6.8
109.02846	5.2
111.00757	2.0
113.02319	14.7
116.92743	14.5
118.97972	2.5
119.03385	6.4
119.04910	4.4
121.02837	5.0
123.04423	3.1
125.02309	4.2
128.49446	1.3
133.02827	1.4
134.03621	1.9
135.04393	3.5
137.02339	5.9
138.03110	1.6
139.00198	1.4
143.03362	3.0
145.02859	2.9
147.04457	2.7
149.02335	2.8
149.04366	1.6
150.03130	2.9
151.00244	2.6
151.03922	2.4
151.07510	1.8
152.01006	5.3
153.01822	3.1
159.03044	1.7
160.03923	5.3
160.05154	1.7
161.04433	6.0
163.03923	2.9
164.04692	1.9
165.05464	1.8
166.02652	2.8
167.03389	2.2
175.03978	1.7
175.11090	3.1
176.01100	1.6
177.01837	1.6
179.05580	2.1
190.02647	1.7
191.03441	1.6
193.01331	1.9
193.05057	3.7
195.06573	5.6
203.06982	1.6
205.05048	4.0
215.14302	2.4
223.06064	2.4
225.07729	2.7
227.14384	4.7
229.12317	1.5
229.16167	2.3
241.14392	2.3
245.15378	1.9
255.02831	1.8
262.03931	1.6
265.09229	4.3
269.04532	6.2
271.13406	2.6
273.14984	5.5
280.13464	3.0
282.15027	8.6
285.04001	3.1
289.14368	4.0
298.14487	24.6
303.50858	1.6
331.15475	2.2
337.08926	1.5
357.11856	1.7
433.18591	2.7
451.19598	1.9
455.71405	1.6
460.19580	6.5
475.19687	14.6
478.20898	3.6
491.20352	1.6
493.20740	7.2
502.20837	100.0
503.21341	13.2
504.22833	1.9
520.21851	11.3
521.23413	2.8
535.21637	2.0
558.22992	1.5
565.26526	4.1
665.37372	2.3
666.37744	3.5
667.39185	1.8
682.27032	14.7
683.27368	3.7
683.38342	2.3
725.38367	2.1
726.25336	4.9
726.41095	2.3
727.28284	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	726.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.2
57.03322	1.0
58.00451	0.9
59.01251	41.1
61.66148	0.6
61.98471	0.6
61.98705	6.4
69.03316	0.8
71.01250	22.0
72.99172	2.5
73.02822	4.5
74.98947	0.8
75.00730	1.2
83.01263	2.8
83.04897	1.5
85.02816	8.0
87.00755	2.3
89.02318	11.3
93.03285	1.5
95.01264	1.9
96.95872	1.4
97.02845	0.8
98.19853	2.0
99.00743	2.3
101.02315	10.2
103.03897	1.4
106.04143	2.8
107.04901	1.7
108.02050	2.1
109.02840	1.1
111.00757	1.8
112.83420	0.6
113.02335	6.7
116.92741	1.3
118.97938	0.8
119.03386	3.6
119.04919	3.3
120.76981	0.7
120.99590	0.8
121.02855	0.9
124.01462	0.8
125.02284	0.9
129.01791	0.9
134.03598	1.4
135.04433	0.8
137.02356	1.6
138.03059	1.7
145.02777	0.8
147.04509	0.8
149.02336	1.7
150.03072	1.3
151.00279	1.1
152.01064	1.1
153.01834	0.9
159.08018	1.4
160.04012	1.7
161.04465	2.2
163.03961	3.4
164.04645	1.4
166.02594	1.9
172.17027	0.7
173.09648	0.8
175.11177	3.5
179.05537	1.1
181.05005	1.0
190.02597	1.3
191.01938	0.9
193.05104	1.1
195.06606	1.0
196.03792	0.7
205.05122	1.3
227.14238	0.7
229.15961	3.2
229.70973	0.7
245.15427	1.4
265.09344	1.7
269.04477	2.3
271.05914	0.8
271.13495	1.4
273.14902	4.9
282.14987	5.9
285.04071	1.3
285.07538	1.4
298.14636	0.9
433.18561	1.3
451.19675	1.6
460.19742	3.1
475.19690	15.4
476.20251	1.3
478.20932	2.4
491.19443	0.8
493.20743	11.3
494.21317	1.6
502.20798	100.0
503.21179	14.9
504.22214	2.6
520.22137	1.7
535.21710	3.0
665.37598	1.5
666.38367	1.0
682.27240	9.5
683.27191	2.9
726.22003	1.2
727.28705	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.3
57.03322	2.3
58.00460	1.2
59.01246	37.0
61.98703	12.4
62.91686	1.1
65.00198	1.8
69.34238	10.6
71.01251	21.8
72.99184	1.6
73.02811	6.3
74.98979	1.4
75.00736	1.2
83.01265	3.5
84.62243	1.1
85.02798	8.8
86.03205	1.0
87.00764	3.9
89.02321	8.3
93.03332	15.0
94.03669	1.5
97.02846	1.2
98.20586	1.9
99.00753	3.1
99.04420	1.4
101.02335	11.4
102.98495	1.3
103.03908	1.4
106.04141	4.9
107.01283	2.6
107.04948	2.3
108.02058	4.5
109.02833	3.3
113.02324	8.4
113.18970	1.0
117.03362	2.2
118.97964	3.0
119.03403	3.6
119.04917	3.1
120.99519	2.1
121.02876	2.0
123.04395	1.5
125.02330	2.8
134.03648	3.8
135.04448	1.2
137.02342	18.7
138.02722	3.5
145.06320	1.0
149.02403	1.9
151.00267	4.7
152.01022	5.1
153.01784	3.6
159.03003	1.1
159.04422	1.6
159.08026	2.0
161.02435	1.2
161.04417	2.0
161.05827	1.1
163.03975	1.8
166.02602	1.8
168.73311	1.1
173.05971	1.6
175.11189	3.2
178.99773	1.0
183.04373	5.6
185.06065	1.3
187.03926	1.3
187.07553	1.9
190.02695	2.0
192.04169	1.1
211.03871	5.6
213.87956	1.0
221.90416	1.3
227.03445	9.4
227.14354	1.6
229.15968	3.5
245.15439	3.1
255.02959	66.3
256.03702	2.2
268.03912	1.3
269.04395	3.4
271.13217	1.5
273.14978	5.1
282.14966	9.4
283.02472	100.0
284.03253	19.0
284.16650	1.4
285.04025	97.8
289.14453	2.9
298.14511	1.3
300.16211	2.5
315.07132	1.8
316.16074	1.4
327.05069	4.9
354.16730	1.2
389.19754	1.3
391.16705	1.2
407.20624	2.2
433.18704	3.7
447.09293	53.6
460.19849	6.2
461.19827	1.5
475.20087	5.7
478.20819	20.4
479.21414	2.1
489.10342	4.7
493.20453	2.2
497.41769	1.1
502.20865	18.3
503.21234	2.5
520.21844	83.2
521.22125	12.7
564.12451	11.4
565.13519	2.8
653.45636	1.3
665.37408	5.5
666.38092	4.8
682.27185	9.6
683.38080	1.8
684.38763	3.3
727.18231	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37348	0.7
57.03310	1.1
59.01249	18.8
61.98689	4.7
69.49733	5.4
71.01250	8.3
71.95161	0.7
73.02818	4.9
83.01225	1.3
85.02827	3.4
87.00741	1.9
89.02317	3.3
92.78404	0.8
93.03334	1.1
97.02802	0.8
101.02318	5.5
103.03881	1.0
105.39159	0.8
106.04118	3.9
107.04923	1.7
108.02055	1.5
109.02844	1.6
111.00770	1.0
113.02322	3.3
119.03374	1.9
121.02847	0.9
134.03590	2.0
137.02373	1.3
138.03041	0.8
143.03424	0.9
152.01060	1.5
153.01860	1.1
159.03101	0.8
161.44753	0.7
166.02652	1.0
175.11221	3.8
179.05496	0.9
190.02557	1.0
192.40596	0.8
195.06448	1.1
223.05945	1.1
225.95256	0.7
227.14279	1.0
229.15953	4.5
245.15370	4.0
265.09308	1.4
269.04639	4.8
273.15021	4.1
282.15060	7.5
283.10315	1.1
284.03152	1.1
285.04001	2.5
289.14441	1.6
295.05502	0.8
300.16016	2.5
312.44940	0.9
389.19592	1.3
407.20679	3.1
433.18488	2.3
447.09137	1.2
451.19553	1.0
460.19656	3.7
475.19385	3.5
478.20724	6.6
502.20868	15.5
503.20963	2.6
520.21838	100.0
521.22205	16.8
665.37579	1.3
666.37640	2.0
684.38538	1.3
727.25262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00955	0.8
59.01249	15.2
60.91843	0.4
61.98712	2.6
69.23008	0.8
69.23415	3.9
71.01258	8.8
72.99180	0.6
73.02811	8.0
75.00742	0.5
83.01250	1.9
85.02818	2.0
87.00784	2.3
87.01202	0.5
89.02316	2.7
93.03331	1.3
95.01259	0.7
96.95868	0.8
99.00779	0.9
101.02321	5.8
106.04108	3.0
107.04895	1.0
108.02031	2.2
109.02828	1.9
111.00782	0.6
113.02312	2.6
115.09509	0.5
116.25285	0.5
119.04884	1.3
121.02842	1.1
125.02324	0.7
134.03600	1.9
137.02333	1.1
141.01799	0.5
147.04459	0.7
149.02394	0.9
152.01094	2.5
153.01785	1.4
159.03107	1.2
161.04497	0.6
161.09558	0.6
163.03926	0.7
166.02592	0.9
175.00317	0.5
182.02199	0.6
187.07520	1.1
187.11163	0.8
188.08246	0.5
190.02585	0.8
198.05533	0.6
199.06303	2.0
205.05008	1.1
212.07092	0.7
213.07877	1.0
217.07281	0.5
225.12778	1.2
227.14362	2.2
229.12320	0.5
229.15947	4.0
245.15417	0.7
255.13985	0.7
265.09308	0.7
271.13431	1.6
273.14932	2.8
280.13400	7.0
281.13818	0.6
282.14993	13.0
283.15161	1.3
298.14471	10.1
299.14883	0.8
300.16061	11.4
301.16388	1.3
315.07248	0.9
316.15414	0.9
317.28113	0.5
339.08633	0.5
389.19626	0.5
407.20758	2.1
433.18512	1.7
460.19513	1.2
475.19788	3.2
476.19757	0.7
478.20682	3.6
479.21271	0.6
502.20865	10.8
503.21170	1.1
505.18066	0.7
520.21844	100.0
521.22186	13.4
557.72791	0.5
565.19415	2.0
608.72839	0.5
666.38263	0.9
667.38904	0.7
685.39801	0.7
726.22101	1.5
727.24615	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	725.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.6
56.39663	0.4
57.03316	0.4
58.00464	0.7
59.01247	100.0
60.01577	1.1
69.03340	0.7
71.01249	15.7
71.52631	0.4
72.76308	0.4
72.99178	1.2
73.02817	11.0
75.00754	0.8
83.01244	5.1
85.02820	5.2
87.00754	1.5
89.02312	6.1
93.03338	1.2
95.01266	0.8
96.95911	0.5
97.02831	0.5
99.00778	1.1
101.02319	15.8
102.02731	0.5
111.00774	1.0
113.02328	6.8
119.03386	3.2
120.68657	0.4
121.02802	0.4
125.02354	1.0
129.01872	0.6
131.03413	1.0
131.62416	0.4
143.03383	1.9
148.04016	0.6
149.02399	0.4
149.04449	3.6
151.00221	0.5
155.03496	0.4
159.02931	0.7
160.03969	1.0
161.04449	6.1
165.05453	0.6
175.02415	0.7
176.07133	0.6
179.05597	0.9
180.06566	0.4
191.01929	0.5
191.05585	1.0
203.05420	0.9
221.06606	1.8
245.09308	0.7
247.11845	0.4
253.09761	0.4
269.09421	0.5
283.10599	0.4
285.12610	0.6
289.13028	0.7
293.04645	0.7
297.09009	0.7
298.09470	0.5
300.02911	0.4
305.15939	3.7
308.68719	0.4
315.05090	0.7
347.17084	5.3
348.17319	0.7
365.06451	0.6
431.62888	0.4
433.97162	0.4
494.15582	0.5
517.26465	0.6
519.11377	0.7
533.17883	0.9
535.27844	0.6
591.19122	0.9
635.16479	0.8
693.24084	0.7
725.22833	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	725.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25290	1.6
57.03312	2.0
59.01249	43.4
61.98702	25.5
64.91758	1.5
71.01250	27.5
71.53105	2.5
72.99163	3.9
73.02814	3.9
80.45035	1.6
83.01240	2.8
85.02821	8.4
87.00743	5.6
89.02310	23.5
95.01221	1.6
97.02814	4.1
98.02276	1.7
101.02319	23.4
113.02322	10.2
119.03377	10.4
121.02844	1.6
125.02327	9.0
140.48637	1.6
143.03401	3.0
161.04465	3.9
179.05476	4.9
209.11806	2.0
235.08226	9.0
252.38075	1.6
253.09354	3.5
256.03796	1.9
267.23267	80.8
267.26135	4.1
268.23663	7.4
287.07648	4.4
305.08884	2.9
323.09497	2.7
397.13467	100.0
398.13931	10.6
415.14523	29.9
416.15009	1.7
665.37518	2.2
705.38574	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	725.2296
Annotation	Naringenin 7-O-(2'',6''-di-O-alpha-rhamnopyranosyl)-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03296	3.0
59.01008	0.8
59.01245	11.4
61.98690	0.8
63.01298	0.9
63.02259	2.1
63.36646	0.9
65.00189	15.9
66.30743	0.7
69.39687	5.1
69.40094	1.8
71.01262	7.2
73.02809	2.4
75.00718	1.3
81.03313	1.6
83.01254	9.3
85.02816	6.2
86.52013	0.8
87.00737	1.5
87.04369	0.8
89.02295	3.0
93.03335	7.3
94.02863	0.8
96.95879	1.7
101.02321	4.6
103.03863	1.6
107.01263	24.5
108.02054	9.4
109.02834	7.8
111.00740	2.0
111.04344	0.9
113.02280	2.3
117.03322	1.7
119.04906	40.6
120.05243	1.6
121.02792	2.2
122.06020	1.2
123.04345	1.3
125.02328	10.5
132.61302	0.9
135.00708	1.0
135.04384	1.6
137.02295	2.2
143.04889	1.1
145.02856	6.2
149.02299	3.1
151.00267	95.9
152.01079	13.8
153.01877	5.0
160.03864	1.1
161.04482	1.9
161.05902	1.8
163.03880	1.9
165.01865	5.5
167.03462	1.6
169.01292	3.8
175.00215	1.6
177.01848	7.4
184.57993	0.8
184.60382	0.9
185.05923	3.1
187.03865	3.5
190.02586	1.2
191.01816	2.1
191.03427	0.9
193.05008	1.0
195.02869	1.5
199.07701	1.7
205.04958	1.4
206.57034	0.9
209.02849	1.8
227.07001	2.7
229.05048	1.9
237.14595	1.0
241.14423	0.9
244.88794	0.9
255.02745	1.0
265.09189	1.5
269.04501	7.0
270.04938	4.3
271.06119	52.2
272.06387	4.3
273.12219	1.0
274.12637	1.1
284.03470	0.9
285.03784	1.4
295.06033	1.1
313.06818	1.1
315.07352	5.2
335.12311	1.8
336.12589	2.5
337.12805	1.5
339.07233	1.7
443.15112	0.8
459.12677	2.6
475.12265	5.1
563.17163	2.4
563.25372	1.5
605.17029	10.3
606.17371	1.7
725.22729	100.0
726.23059	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	725.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	2.0
59.00966	1.5
59.01249	27.2
61.98697	8.6
63.02252	2.3
64.99850	1.3
65.00194	21.9
68.99681	0.9
69.32150	0.8
69.33826	8.9
71.00889	1.5
71.01248	13.7
72.99165	1.5
73.02824	5.6
75.00740	1.7
81.03327	1.6
83.01244	11.9
85.02811	6.5
87.00732	2.2
88.65902	1.0
89.01826	0.9
89.02303	6.2
93.03327	9.7
95.01274	1.5
96.45227	0.9
98.19791	2.2
99.00739	1.2
101.02332	6.0
103.03866	2.7
107.01268	27.6
107.04868	1.6
108.02042	3.0
111.00747	1.4
113.02322	5.2
117.03333	19.5
118.97948	1.3
119.04910	80.6
120.05228	2.6
121.02828	4.5
123.00770	1.2
125.02326	13.9
127.68219	0.9
133.02789	1.2
135.04306	0.9
136.01547	1.2
137.02304	2.7
139.00150	1.1
143.03334	2.0
143.04889	1.3
145.02849	74.1
146.03253	1.8
149.02312	3.5
149.05919	1.2
151.00269	100.0
152.00682	3.3
153.01875	1.6
161.04462	3.0
161.05920	2.0
163.03911	24.0
164.01050	1.4
164.04517	1.4
165.01793	4.6
167.03366	1.3
168.06775	1.0
169.01303	2.1
171.10172	1.4
175.00262	2.6
177.01845	9.3
179.03453	1.5
183.13771	1.2
185.05922	2.7
187.03885	4.2
190.02571	1.6
193.01321	2.5
195.13766	1.2
205.04924	2.8
211.04222	1.0
223.06010	2.7
227.07051	10.1
230.68588	1.1
235.02438	1.2
239.12946	1.5
241.14352	2.3
253.04861	1.1
265.07019	2.4
265.09512	1.2
267.06958	1.2
269.04385	2.8
270.04901	1.1
271.06100	73.9
272.06387	5.4
285.07538	1.6
295.05869	1.0
313.07138	3.2
339.12274	1.8
351.10651	2.2
431.17603	1.3
459.11374	3.3
469.11136	1.3
491.19431	1.6
503.33456	3.2
561.16046	13.3
562.16449	2.2
579.17133	54.9
580.17712	6.6
605.15308	4.9
631.16571	1.2
665.38416	1.6
681.33765	1.2
725.20703	76.3
725.34094	5.4
726.21033	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	725.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01719	2.6
57.03316	4.7
59.01249	34.2
61.98691	20.3
65.00234	1.8
70.21825	2.1
70.66670	1.8
71.01247	43.4
71.52935	2.7
72.99128	2.1
73.02802	11.2
74.98959	2.6
76.08050	2.1
83.01259	6.0
83.42185	1.9
85.02811	19.3
87.00750	5.3
88.37488	1.9
89.02287	9.5
91.01800	2.2
93.03331	15.1
95.01220	3.2
97.02860	2.2
99.00758	2.8
101.02319	18.4
103.03853	6.2
104.35765	1.9
105.63154	2.2
106.04139	3.6
107.01257	2.2
107.04868	2.9
108.02026	7.1
109.02806	5.8
111.00751	3.4
113.02291	11.5
115.00256	15.8
116.92714	5.2
119.01281	3.9
119.03359	3.6
119.04931	22.0
121.02796	8.2
122.05991	3.8
123.00749	3.2
123.04419	2.7
124.01531	8.2
125.02324	3.5
129.01805	2.6
133.02837	19.1
134.03572	6.6
135.04372	5.5
137.02315	6.8
137.05983	54.8
143.03366	3.9
145.02798	2.7
145.06450	3.4
146.03624	4.0
147.00783	3.7
147.04404	15.5
148.01529	3.5
148.05170	3.6
149.02342	26.0
149.05913	4.5
150.03154	9.9
151.00235	2.5
151.03844	3.0
152.00990	6.4
152.07045	4.8
153.01822	4.4
159.04301	3.3
160.05145	4.9
161.02292	4.3
161.04425	14.3
161.05928	10.3
163.03917	13.9
164.04669	20.0
165.01768	3.2
165.05406	3.9
175.00279	30.7
175.07480	3.5
176.01050	27.8
177.01707	2.8
177.05406	3.6
177.97313	2.0
178.02568	2.5
179.03334	2.2
179.06990	5.3
179.32251	2.3
181.05046	2.5
190.02623	90.1
191.01787	2.7
191.03380	36.4
192.03767	2.2
193.04884	3.4
194.02119	2.7
196.06067	3.3
205.04990	100.0
206.05484	4.7
207.06508	3.6
208.03690	3.4
209.02708	2.7
209.04405	7.2
223.06018	21.0
225.05409	7.3
226.04338	3.0
226.06331	31.9
229.15892	5.4
233.04338	3.1
238.06256	7.0
239.07010	9.0
240.07854	2.1
241.08572	11.1
252.07797	7.4
253.08685	33.1
254.09450	46.4
255.09801	4.5
263.09131	7.1
265.09271	6.2
267.10257	18.3
269.04526	3.3
269.11761	20.5
273.14886	2.5
282.14838	3.1
283.09799	2.3
295.10309	2.3
299.11227	9.0
300.15933	9.8
339.07349	2.2
352.08203	2.7
353.08710	16.0
355.13153	2.6
357.09201	2.3
367.10312	53.2
368.10403	4.3
378.14291	2.2
394.67126	2.1
520.21906	45.7
521.33588	2.5
535.27020	2.8
563.21246	2.8
587.13959	3.0
595.18127	11.5
609.19781	5.1
649.25226	4.7
665.37146	4.7
681.21234	8.8
683.38220	3.9
693.24615	3.3
725.20679	98.4
725.31262	3.8
726.21094	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.6
63.02267	0.9
69.18461	4.0
69.18885	3.8
71.01238	2.2
74.71038	0.7
83.01237	1.1
85.02864	1.0
101.02309	0.8
104.08340	0.7
106.79748	0.7
107.01261	1.9
111.00712	1.0
113.02272	0.8
137.02309	1.0
149.99510	0.8
151.00235	5.0
161.04381	0.9
163.03912	0.8
164.01054	1.3
164.07095	1.1
199.03885	0.8
206.08115	2.5
212.08340	0.7
215.03445	0.8
216.04305	0.9
225.89185	0.7
227.03421	1.7
243.02959	3.0
244.03645	1.0
255.02954	2.0
269.04614	2.9
270.02042	0.9
270.04886	1.7
271.02478	33.5
271.05090	1.2
272.02982	3.8
283.02380	1.5
284.03241	1.2
285.03983	1.3
296.03238	1.0
299.01953	66.2
300.02689	45.2
301.03021	3.2
311.05643	1.0
312.02646	2.9
313.03519	5.4
314.04272	17.0
315.05084	49.3
316.05420	4.5
329.06479	1.2
339.05057	0.8
342.03650	3.5
353.06476	0.9
357.06113	13.8
358.06369	1.6
381.06271	2.2
400.57846	0.8
462.07898	1.2
477.10358	17.4
478.10870	1.5
517.10071	1.7
519.11389	100.0
520.11688	14.8
561.12518	6.4
725.20508	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	725.157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43799	0.6
59.01232	2.1
64.00559	0.7
71.01220	1.1
71.23775	1.4
74.46130	0.6
83.01247	0.8
85.02847	0.9
107.01274	1.7
122.71342	0.7
151.00237	4.6
164.00970	0.9
199.03925	1.1
206.08165	1.3
214.02747	0.9
215.03473	1.3
227.03387	2.9
228.04028	1.5
241.01375	1.8
242.02129	12.0
243.02936	17.9
244.03502	1.3
245.00900	2.8
255.02913	4.3
257.04526	4.5
270.01688	20.0
271.02417	19.0
272.02960	1.8
283.02380	2.5
284.03210	2.3
285.04037	17.9
286.04605	3.8
298.01257	4.1
298.51208	0.8
299.02072	6.5
299.05179	1.2
300.02725	20.3
301.03162	0.9
311.05438	1.0
312.02652	1.1
313.03516	47.5
314.04257	28.4
315.05081	53.7
316.05466	4.1
327.05020	1.2
329.06876	1.1
356.05383	1.6
357.06128	6.7
381.06100	2.2
439.72156	0.8
447.09213	3.3
461.07190	2.1
476.09555	8.5
477.10306	18.1
478.10574	2.3
519.11395	100.0
520.11737	14.6
537.34290	0.9
561.12366	12.2
562.12738	2.3
585.12683	2.2
609.14575	2.5
681.16663	40.1
682.16998	6.9
725.19714	2.8
726.19604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53704	0.2
57.03326	0.2
59.01249	100.0
60.01585	0.9
61.98701	10.0
64.70529	0.2
67.01745	0.3
71.01252	1.3
71.53114	0.3
73.02808	0.3
79.95612	0.3
84.48985	0.2
85.02832	0.4
87.00746	0.3
88.98700	0.3
96.95893	0.4
101.02322	0.5
111.47018	0.2
113.02337	0.3
120.11291	0.3
144.97647	0.2
171.10172	0.3
175.37726	0.2
209.11777	0.5
211.13373	0.3
239.01505	0.2
349.31921	0.3
561.55768	0.3
723.38763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.8
57.03315	2.7
57.38081	0.8
58.00457	4.1
59.01250	100.0
60.01574	1.5
61.98696	5.9
62.00740	1.0
69.03325	0.8
70.45787	0.9
71.01251	70.3
71.72653	0.9
72.01573	1.4
72.99174	6.0
73.02816	5.1
74.98917	1.2
75.34075	1.0
83.01242	3.9
83.04863	0.9
83.37028	0.9
85.02824	14.6
87.00739	4.5
89.02316	68.8
93.03331	2.3
95.00729	0.9
95.01234	4.2
96.95890	2.1
99.00723	1.3
99.04389	1.0
101.02318	29.5
102.02671	0.8
103.03896	1.1
104.99953	0.8
108.02029	1.8
109.02862	1.3
111.00754	1.9
113.02330	25.9
116.21712	1.0
118.97952	2.9
119.03384	22.7
119.04867	6.8
120.86262	0.9
121.47676	0.8
125.02306	1.3
131.03360	2.4
143.03378	3.6
145.41725	1.1
149.02325	2.0
149.04459	2.7
150.03046	1.0
151.00224	1.4
152.01015	1.4
153.01747	1.0
160.03934	1.9
161.04398	3.8
163.03906	6.0
164.04666	1.3
169.01300	1.0
179.05464	3.6
181.05052	1.3
190.02623	1.5
200.59839	1.0
201.11160	0.9
205.04959	1.0
209.11665	1.1
223.06094	1.3
229.14317	1.0
243.13341	0.9
253.29422	1.0
265.09113	1.4
269.04477	3.3
315.07565	0.9
335.67783	0.9
356.63129	0.8
356.68365	0.8
375.70554	1.0
387.48346	0.9
397.32303	0.8
415.31448	0.9
424.34024	1.0
431.17218	2.2
449.18082	2.0
463.19696	1.5
473.18213	4.7
491.19138	8.6
492.19131	1.4
505.20984	1.4
533.20123	2.1
664.36499	1.2
725.29620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32938	0.8
59.01249	100.0
60.01602	1.0
61.98701	11.2
69.90913	4.2
71.01259	8.5
73.02827	2.8
83.01262	1.2
85.02842	4.3
87.00813	0.8
89.02354	0.9
99.00759	0.9
101.02320	5.1
113.02316	4.0
121.02727	1.0
143.03450	0.9
161.04442	1.6
201.05608	1.0
419.35492	1.4
563.40076	1.6
575.19397	0.9
581.40723	3.1
582.41296	1.1
592.41327	0.9
593.41052	1.1
621.40222	2.0
623.41663	9.5
624.41888	1.8
635.41962	1.7
663.41638	3.0
664.41187	1.5
679.44476	1.5
723.39209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10232	0.3
54.27889	0.3
57.03324	0.3
57.56304	0.3
59.01241	5.7
61.98691	1.4
69.81200	1.8
70.98651	0.3
71.01243	2.7
72.01713	0.3
72.09548	0.4
73.02818	0.6
78.95788	0.4
80.02535	0.9
81.03323	1.4
83.01237	0.3
83.04897	4.7
84.02039	0.7
85.02834	0.5
87.00739	0.9
89.02310	1.7
90.22588	0.3
95.04913	0.5
98.19887	0.5
101.02299	2.4
109.06438	0.5
113.02312	1.4
119.03351	0.6
123.96396	0.4
125.06001	0.5
133.04909	0.4
135.08080	0.7
153.17520	0.3
161.04486	0.8
163.11203	3.1
165.12766	2.3
175.59113	0.4
179.05510	0.5
181.12157	0.5
191.10674	1.0
207.10213	0.4
209.11761	100.0
210.12112	5.2
211.12961	0.4
224.10234	0.3
227.12833	11.1
235.08188	3.1
245.08293	0.3
253.09251	8.0
266.04904	0.3
277.21707	65.6
278.22052	5.7
279.23209	0.5
434.05609	0.3
445.20978	0.6
477.19272	0.5
692.90417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.4
59.01246	100.0
60.01582	1.0
61.98701	4.1
69.27727	2.4
71.01251	3.9
73.02821	1.4
73.03184	0.3
73.55273	0.3
75.00739	0.3
75.52690	0.3
83.01266	0.7
85.02808	1.4
87.00732	0.3
89.02339	0.6
95.01292	0.4
96.95914	0.7
99.00737	0.5
101.02311	2.3
113.02319	1.7
125.79638	0.3
134.89348	1.6
161.04488	0.9
171.10236	0.4
209.11873	0.3
247.42538	0.2
269.04688	0.5
398.89810	0.3
445.97659	0.3
459.35532	0.4
503.33868	0.4
570.87384	0.3
603.39075	1.7
619.42041	0.3
621.39966	3.3
622.40344	0.5
638.43201	0.3
663.41229	5.7
664.40936	1.2
679.41577	0.4
723.41284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.9
59.01250	37.1
60.15020	0.7
61.98697	8.4
63.97794	0.7
69.03322	0.9
71.01254	18.0
72.99199	1.0
73.02818	18.0
74.03163	1.1
75.00744	1.0
79.62925	0.8
83.01257	5.3
85.02821	3.2
87.00756	1.4
89.02316	5.5
94.79892	0.9
96.95911	2.0
99.00737	1.6
101.02325	12.8
106.28772	0.7
113.02329	4.1
116.92752	1.3
119.03432	1.7
119.31055	0.7
130.62329	0.8
131.03416	0.9
171.10004	0.7
197.11748	4.8
205.05276	0.8
209.11771	8.7
227.12904	1.3
253.09213	1.5
277.21756	7.5
278.22006	0.8
279.23334	3.6
279.26120	1.1
289.18192	1.2
309.12097	0.7
325.18848	0.9
375.29059	10.4
397.13461	4.0
415.14355	1.2
459.38470	3.0
475.37860	1.5
542.68774	0.8
579.29108	1.7
619.41888	2.9
637.43024	4.3
669.01361	0.9
679.44220	100.0
680.44537	20.6
728.81384	0.9
741.95667	0.9
752.12628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	6.4
61.98690	2.5
71.01244	3.1
73.02808	0.6
78.08522	0.4
78.95782	0.4
80.02552	1.2
80.80178	0.4
81.03310	1.0
83.04884	4.8
87.00739	0.6
89.02297	2.0
95.04881	0.7
98.20557	1.0
101.02319	2.2
102.77059	0.4
113.02335	0.8
113.45102	0.4
125.05940	0.5
135.08095	0.7
136.32481	0.4
161.04468	0.8
163.11203	3.4
165.12704	2.4
181.12233	0.6
191.10735	1.3
199.13371	0.5
207.10249	0.6
209.11752	100.0
210.12100	5.7
225.11201	0.5
227.12839	11.7
228.13065	0.6
235.08229	1.5
244.11819	0.5
253.09253	7.6
277.21704	49.4
278.22089	4.2
279.23325	0.6
445.20493	1.1
475.73837	0.6
629.34979	0.4
654.94226	0.5
723.43579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.432
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82178	0.3
55.01754	1.0
57.03320	0.9
59.01247	100.0
60.01580	0.8
61.98701	4.0
70.09213	1.7
71.01249	8.9
71.01620	0.6
72.99173	0.4
73.02826	2.4
80.96429	0.3
83.01263	1.7
85.02816	5.6
87.00761	0.6
89.02327	0.9
90.31590	0.3
95.01276	1.1
96.95920	0.7
97.02864	0.5
98.20425	0.4
99.00769	1.2
101.02319	6.5
113.02322	3.6
113.05156	0.3
117.67919	0.4
120.47350	0.3
125.02380	0.4
143.03369	1.0
146.67665	0.3
159.02914	0.8
161.04460	1.8
197.11737	0.8
209.11909	0.4
211.13416	0.4
228.40108	0.3
309.20776	0.5
402.17303	0.4
427.32358	0.8
436.56705	0.4
439.32010	0.6
459.35275	1.8
503.33838	0.9
603.38965	5.9
603.48108	0.6
604.39417	1.0
621.39978	17.0
622.40417	2.5
653.47083	0.3
663.41052	21.5
664.41425	4.5
744.81744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02186	0.9
55.01759	1.1
55.84867	1.0
57.03308	1.9
59.01249	100.0
61.98425	1.4
61.98703	16.3
67.53842	0.9
69.03315	1.1
69.30749	1.6
69.31147	7.7
71.01252	20.4
72.87483	0.9
72.99181	1.5
73.02823	5.1
75.00748	1.4
75.96503	0.9
79.32679	0.9
80.96368	1.6
83.01241	5.7
83.04906	1.8
85.02832	8.9
87.00735	2.0
88.98690	2.5
89.02326	6.3
93.03337	1.5
95.01277	1.8
96.95863	1.7
99.00781	1.1
101.02312	10.4
102.98436	1.2
103.03874	1.0
103.90269	1.0
107.04879	2.1
109.06470	10.3
111.00781	1.3
113.02338	7.3
119.03367	2.0
119.04907	5.4
119.05664	1.0
121.02811	3.7
123.04438	1.3
123.88934	1.2
125.02325	1.4
133.22221	0.9
135.04503	1.2
137.02303	1.1
139.07416	1.0
145.02849	1.3
149.02406	1.2
151.00314	2.2
152.04749	1.2
159.02975	1.0
161.04434	3.2
163.03896	1.7
167.03320	1.3
169.06348	0.9
171.10179	1.0
174.48621	0.9
190.02621	1.7
191.03352	1.1
195.13785	2.4
205.04895	1.2
228.38184	1.0
239.12871	1.5
241.14432	5.1
253.09277	1.0
269.04562	3.2
355.12003	1.2
367.83173	1.1
575.35693	1.4
593.36963	3.1
605.32599	1.0
635.37726	2.7
645.39862	6.8
663.37408	4.4
679.36908	40.0
680.37390	7.0
723.21075	1.7
723.40460	5.6
724.37976	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87477	0.5
55.01740	0.7
55.55038	0.5
57.03081	0.8
57.03319	7.6
58.00471	1.4
59.01247	30.7
61.98695	3.2
69.03337	0.7
71.01250	19.2
71.53147	0.5
71.53577	0.7
72.99160	1.0
73.02807	2.0
76.38818	0.5
81.03311	0.6
83.01234	1.9
83.04879	1.1
85.02818	21.1
87.00740	1.9
87.04341	0.7
89.02316	10.4
93.03310	1.4
94.82004	0.6
95.01254	1.5
97.02827	1.0
97.06486	0.7
99.00763	1.0
99.04355	0.8
101.02315	9.3
103.03886	51.8
104.04224	0.9
106.18909	0.6
111.00738	1.1
111.08035	1.8
113.02327	5.2
117.05438	0.9
119.03389	4.2
119.04881	2.0
121.02843	2.2
125.02327	1.7
129.05457	0.7
143.03357	1.1
143.04868	1.0
145.04948	2.4
148.23048	0.6
149.02318	1.1
151.00291	0.8
151.11021	0.7
157.04959	1.9
161.02341	3.6
161.04472	1.3
163.03827	0.8
165.12758	18.2
166.13089	1.3
179.05556	0.9
179.14343	0.7
183.13835	31.2
184.14172	1.6
184.58122	0.6
189.12808	0.8
190.02641	1.3
191.10689	0.6
197.15396	2.3
205.05061	1.3
205.12247	0.7
207.13786	2.6
209.11821	4.2
225.14777	1.0
227.12833	19.1
228.13066	1.0
231.13777	0.8
233.11874	0.8
241.14392	1.6
247.08125	3.1
249.14871	1.1
251.12894	5.8
265.09265	43.5
266.09589	2.8
269.04422	2.0
269.13898	1.8
293.13983	2.1
329.15982	1.2
334.95731	0.7
355.11826	1.1
457.20694	13.5
458.20996	0.8
475.21805	17.0
476.22159	1.6
495.67615	0.7
499.21768	0.9
517.23083	3.0
547.24207	1.0
571.35260	0.7
577.25116	5.0
619.26215	0.9
619.77112	0.7
637.27124	9.9
638.27325	1.2
663.37646	1.4
691.35699	0.9
723.30774	100.0
724.31293	19.1
738.14746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.4
57.03313	3.8
58.00456	1.4
59.01249	100.0
60.66710	1.3
61.98688	1.5
67.57690	1.2
69.03325	2.5
69.63076	8.1
71.01252	35.7
72.99168	3.5
73.02813	12.3
75.00732	2.5
83.01256	8.3
84.02023	1.3
85.02820	23.6
87.00742	11.0
89.02321	11.0
93.03320	1.7
95.01264	3.0
96.95865	2.8
97.02811	4.0
99.00748	5.2
101.02322	23.1
103.03899	1.3
108.02033	4.9
109.02797	1.9
111.00743	5.1
113.02327	21.8
118.95898	1.1
119.03313	3.6
119.04883	2.6
119.44933	1.2
120.74087	1.1
121.02857	1.7
123.04375	1.7
125.02330	4.9
129.01781	2.1
135.82428	1.2
136.03818	1.3
136.07542	1.2
137.02309	2.5
143.03424	2.7
152.01039	5.3
152.07050	1.2
153.01865	1.6
161.04417	4.8
163.03847	1.5
164.04637	1.2
167.03377	2.1
175.00099	1.1
175.28731	1.5
179.05539	1.4
190.02521	1.7
191.01862	2.1
191.03375	1.3
204.98343	1.3
205.04984	1.5
227.16446	7.8
229.09787	1.4
234.72668	1.2
235.17082	1.8
265.09265	1.6
265.18140	1.5
269.04529	9.3
269.11572	1.1
273.12415	1.3
317.11365	2.2
335.12442	7.0
355.13110	1.3
357.09576	2.0
371.20584	5.2
389.21735	2.5
409.22366	1.4
515.24957	37.5
516.25073	5.7
530.93170	1.3
533.26013	52.4
534.26501	7.0
535.14026	1.7
551.26947	10.1
552.27032	1.6
561.19946	1.9
575.26984	26.3
576.27179	4.4
593.28131	19.4
594.28534	2.1
635.29413	2.9
723.20490	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	723.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80842	2.4
57.03320	3.4
57.93299	2.3
59.01241	36.2
61.68528	2.1
66.26199	2.6
67.91866	2.5
71.01261	18.4
71.09745	5.4
72.97413	2.3
73.02817	7.2
75.62634	2.6
80.04904	3.1
83.01247	3.3
83.04963	2.0
85.02822	13.3
89.02316	9.1
93.03346	4.3
94.02865	3.1
94.06486	3.0
97.15118	2.1
99.00730	2.5
99.44028	2.4
101.02331	12.1
103.03877	10.1
107.03638	6.5
108.02068	7.8
109.02798	3.5
111.00762	3.9
113.02325	10.2
119.03397	3.5
119.04932	4.2
121.02869	3.5
122.05996	54.3
125.02381	2.9
132.04424	5.2
134.03595	2.7
134.05975	7.7
143.03403	3.4
148.04013	2.7
151.00217	2.9
152.01082	7.9
152.07074	100.0
153.01680	3.2
153.07428	5.8
160.03972	8.3
161.04485	4.3
164.03450	2.7
177.41539	2.6
185.08266	2.2
190.04982	3.4
204.06541	3.9
205.04958	3.5
206.88506	2.1
210.83012	2.4
213.10321	3.1
214.10945	3.1
223.06042	2.8
223.08687	4.4
224.09532	3.3
225.06444	2.8
227.08136	7.3
237.10146	2.6
238.11176	3.1
239.08205	7.0
239.11890	7.4
241.09732	7.4
243.11095	2.9
251.08267	2.7
251.11777	2.7
253.06100	7.7
253.09700	3.6
255.07527	3.4
255.11311	4.3
265.06418	5.0
265.09283	29.0
266.06842	3.4
267.07782	10.8
267.11307	3.2
269.04477	9.2
279.07651	7.6
280.08359	3.8
281.09317	10.8
282.09863	4.7
283.10883	31.7
284.11160	3.7
293.09247	8.1
294.10052	6.7
295.10754	15.2
297.12119	2.8
312.11179	2.7
323.10342	3.6
325.11710	2.7
333.08395	6.5
335.12506	6.5
367.10361	5.6
390.14685	4.6
392.16287	2.8
412.45950	3.2
418.14001	4.8
446.16608	3.9
447.17603	4.3
448.18845	14.2
450.16983	4.1
491.16754	12.1
492.17685	25.2
523.19629	7.9
524.20386	18.4
526.18396	4.5
597.23370	2.7
599.21106	4.9
615.24579	2.9
617.21985	2.9
631.24225	14.5
647.27155	29.5
648.27661	4.6
649.24829	6.0
659.23395	7.1
663.26990	15.0
673.24927	7.7
691.26154	89.4
692.26721	16.9
705.27594	5.7
723.30829	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	723.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43941	0.1
59.01245	1.2
63.02256	1.6
64.54209	0.1
65.00169	0.9
69.35447	0.5
69.35873	0.7
71.01254	0.4
73.02814	0.2
83.01237	0.4
85.02805	0.3
87.00741	0.2
87.09832	0.2
87.73018	0.1
89.02300	0.2
93.03309	0.4
93.78595	0.1
101.02324	0.3
105.03378	0.2
107.01262	1.5
108.04443	0.2
113.02337	0.2
114.10747	0.2
117.03336	3.5
118.94012	0.2
121.02805	0.2
122.06013	0.5
135.04417	0.2
136.03900	0.3
136.07567	0.3
137.04721	0.2
148.01534	0.2
149.02318	0.8
150.05505	0.2
151.00278	0.8
152.07068	0.4
159.04440	1.4
161.02353	0.9
163.03891	0.2
169.06468	0.6
171.04381	0.2
180.05743	0.2
181.06461	0.6
183.04411	0.9
190.04985	0.4
195.04471	0.2
196.05193	0.2
197.05962	0.9
199.03923	0.2
201.05513	0.6
203.03406	0.3
203.96565	0.2
211.03902	0.2
213.05446	0.2
224.04640	0.4
225.05524	1.4
227.03549	0.4
229.09744	0.4
230.11879	0.3
239.03563	0.2
240.04163	0.4
257.09097	0.2
268.03769	6.9
269.04529	100.0
270.04861	7.0
273.12430	0.7
299.10519	0.2
311.05774	0.2
317.11276	0.4
335.12442	3.6
336.12671	0.3
355.12912	1.1
379.54984	0.2
388.13489	0.2
398.92532	0.2
457.11395	0.4
533.25824	0.2
559.14899	0.3
577.15637	0.2
626.14874	0.2
723.21344	50.3
724.21698	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	723.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.8
59.01247	13.1
60.29352	0.6
61.98687	0.9
69.03306	1.0
71.01248	6.2
71.52328	1.0
72.99181	1.1
73.02818	3.2
75.00744	1.3
81.03330	0.8
83.01252	2.4
85.02814	10.5
87.00741	2.0
89.02303	3.1
91.01744	1.0
93.03360	2.5
96.95887	1.1
99.00763	1.3
101.02319	3.5
103.03871	0.9
107.01287	1.3
108.02032	2.7
109.02843	2.0
111.00742	2.4
113.02313	5.1
117.03301	0.9
119.03340	0.8
119.04911	3.0
121.02857	1.3
123.00739	0.8
123.04382	1.3
124.00620	0.7
125.02343	1.3
129.01814	2.1
133.02829	0.7
134.03615	1.3
137.02315	1.0
143.03357	0.7
143.04958	1.2
145.02852	0.8
147.02882	2.1
147.04372	0.7
149.02353	1.0
149.06009	0.8
151.00266	4.4
151.03825	0.9
152.01047	2.6
153.01817	2.7
159.04396	1.3
161.02283	0.8
161.04463	1.7
163.00345	0.8
163.03920	1.5
165.01851	1.2
173.02448	0.7
173.06010	0.9
177.03928	0.9
178.99800	0.9
185.05948	0.9
190.02660	0.9
191.01886	3.7
191.03464	0.8
191.05501	1.4
192.99400	0.7
195.04976	1.5
195.06621	1.0
205.05006	0.8
211.03880	1.7
216.73004	0.6
227.03439	31.8
228.03842	2.4
239.03484	1.2
241.05038	1.2
245.08168	0.8
251.07045	1.2
255.02953	58.5
256.03458	6.2
257.04431	0.8
265.09354	1.7
269.04501	2.3
271.06271	0.7
280.07410	1.3
283.02454	41.6
284.03210	45.7
285.04007	69.3
286.04391	5.1
295.09885	1.9
297.03992	3.3
298.04626	0.9
299.05594	0.8
315.07169	1.5
326.04282	1.5
327.05002	4.2
351.04688	0.8
357.09766	15.4
358.09879	1.2
415.86853	0.7
446.08527	8.5
447.09286	100.0
448.09601	9.1
489.10281	9.6
515.25342	2.5
533.25763	4.3
535.14380	3.9
561.15649	1.4
562.17853	0.8
575.27209	1.9
593.27856	2.0
609.14575	57.5
610.15002	7.2
723.19879	4.8
724.22070	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1921
Annotation	Kaempferol 3-(2''-p-coumaryl-rhamnoside)-7-rhamnoside
Peak:m/z	Relative Intensity
57.03319	0.8
59.01248	10.9
61.98701	3.5
63.02272	1.6
65.00212	1.0
70.62315	0.5
70.62646	0.9
71.01255	5.6
72.61762	0.4
72.99192	0.9
73.02806	1.9
79.95581	0.6
83.01278	1.1
85.02824	2.8
87.00769	0.7
89.02312	1.7
90.39925	0.4
93.03348	1.2
95.01268	0.7
95.26311	0.3
101.02327	3.0
103.03903	1.0
107.01296	2.0
108.02077	0.5
109.02871	0.5
111.00748	0.8
113.02321	2.1
117.03350	16.8
118.97955	1.0
119.04916	17.0
120.05255	0.8
121.02853	1.5
123.04376	0.4
125.02356	0.7
135.04430	0.4
143.03400	0.5
145.02853	24.6
146.03195	1.3
148.01456	0.4
149.02383	1.9
150.03122	0.4
151.00261	2.7
151.03896	0.5
152.01050	0.8
159.04402	1.1
161.02322	1.0
161.04456	1.0
163.03911	9.1
163.05215	0.8
164.04375	0.4
164.40559	0.4
167.03497	0.4
172.05220	0.6
175.00259	0.5
176.01164	0.6
183.04413	0.8
190.02780	0.4
191.03439	0.6
196.05215	0.7
197.05937	0.5
200.04762	0.5
201.05602	0.8
201.11261	0.6
205.04987	0.9
211.03967	0.5
223.06140	0.7
225.05551	1.3
225.63356	0.5
227.03470	0.5
239.03458	1.3
240.04213	1.2
265.09302	1.2
267.02887	0.9
268.00662	0.6
268.03757	39.6
269.04532	100.0
270.04886	6.8
283.06134	0.9
293.04459	0.5
311.05551	0.7
351.10913	0.4
377.60504	0.4
413.08505	1.2
431.09671	2.2
475.21539	0.6
475.29245	0.4
529.33600	0.8
547.35144	0.5
559.14594	10.8
560.14728	1.3
571.34741	1.2
577.15430	1.5
589.35632	1.9
656.33246	0.4
663.35852	1.0
681.36176	0.6
723.19226	57.6
724.19659	11.0
724.30646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55569	0.3
55.38022	0.3
56.08095	0.3
59.01247	1.3
67.69736	0.3
69.44415	0.3
69.59692	2.1
69.67141	0.3
71.01264	0.7
75.00737	0.3
85.02841	0.8
111.00743	0.3
116.04944	3.7
116.23346	0.3
129.52802	0.3
132.04460	0.3
137.02390	0.3
137.50056	0.3
152.04707	0.3
159.03160	0.5
160.03943	100.0
161.04292	5.1
164.07021	0.4
167.39162	0.3
177.01776	0.3
177.05637	0.3
193.04936	0.8
195.04961	0.3
196.03746	0.6
202.05104	0.4
204.02928	2.1
206.08133	0.8
211.06102	0.3
218.04526	0.6
245.00583	0.3
304.08270	0.5
322.09286	2.1
366.08188	1.0
447.23706	0.3
560.13586	0.4
578.87073	0.3
615.78638	0.3
678.20386	0.6
722.19318	14.4
723.19403	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	722.282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65868	0.4
59.01246	20.3
60.01581	1.2
61.01668	0.8
61.98699	100.0
68.82768	0.3
71.01257	1.3
71.52842	0.5
73.02816	0.4
80.02570	0.4
83.04897	1.1
89.02317	0.6
93.14015	0.3
95.04936	0.6
95.29763	0.3
101.02352	1.2
109.06471	1.1
113.02363	0.6
119.03385	0.4
161.04445	0.7
163.11183	1.7
165.12778	0.4
191.10612	0.5
207.10172	2.4
208.10562	0.7
209.11760	29.9
211.13315	4.6
225.11171	3.5
226.11636	1.1
227.12822	2.8
240.06689	0.3
245.08170	1.0
246.08536	0.8
253.09265	3.4
264.82684	0.3
277.21710	19.2
278.22195	1.6
293.21225	2.6
308.80368	0.4
461.20496	0.4
722.42151	1.1
723.33917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	13.0
60.01583	0.8
61.01670	0.7
61.98702	100.0
62.98395	0.4
69.96299	1.2
71.01273	0.4
98.20531	0.3
109.06463	0.6
114.05524	0.3
135.52332	0.3
139.91399	0.3
140.71651	0.3
163.11197	0.3
207.10252	1.3
209.11786	0.7
211.13336	0.3
225.11296	1.9
226.11700	0.6
245.08299	0.4
246.08502	0.4
253.09375	0.4
277.21783	1.6
278.22122	0.5
288.64896	0.2
292.83624	0.3
461.20233	0.4
722.41418	0.3
725.15460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72819	1.1
59.01247	32.8
61.18761	1.1
61.98695	6.4
70.76366	3.3
71.01250	10.1
73.02795	1.4
81.03362	1.3
83.04874	3.0
83.42406	1.1
85.02815	2.9
85.94557	1.2
87.00761	1.7
87.75417	1.1
89.02320	7.5
92.62623	1.1
95.01261	1.6
95.04886	4.1
97.02811	7.0
99.00746	1.6
99.27805	1.2
101.02334	5.9
109.06470	32.9
110.03624	3.0
113.02312	4.2
119.03445	1.3
121.06467	2.0
135.08040	4.5
142.02469	1.0
153.09145	1.4
161.04497	1.7
161.09576	2.8
163.11185	21.0
163.48206	1.2
179.05511	2.0
179.10744	2.6
181.12265	5.3
189.09088	7.2
197.11673	1.7
207.10197	96.8
208.10486	5.3
209.11627	1.9
225.11253	100.0
226.11571	4.8
235.08209	3.6
253.09262	14.0
254.09731	1.3
277.21710	92.8
278.21982	7.6
299.14877	1.6
363.47479	1.0
441.34033	1.3
443.19202	9.9
444.19522	1.3
461.20279	30.1
501.42245	1.3
616.39465	1.2
721.41650	30.0
722.41406	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	721.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95338	1.5
54.79337	1.1
59.01248	25.0
61.98692	4.3
70.34521	3.3
71.01266	6.6
73.02827	1.4
83.01250	1.3
83.04873	1.8
85.02805	1.8
87.00741	1.7
89.02303	4.0
89.97784	1.2
93.77205	1.1
95.04913	5.3
97.02818	3.3
98.20184	2.1
101.02309	6.5
106.04104	1.5
109.06481	4.7
110.03593	2.0
111.04396	1.3
119.03358	1.4
135.08020	1.4
145.04930	1.3
161.04449	1.7
161.09599	1.8
163.11160	8.3
169.12270	1.8
173.22710	1.1
179.05594	2.3
179.10663	2.8
189.09138	7.8
197.11597	1.6
207.10194	23.2
225.11255	100.0
226.11626	4.6
235.08200	7.7
242.33260	1.3
253.09164	11.5
277.21704	70.0
278.22083	4.6
443.19077	10.6
461.20175	14.9
462.20322	2.0
473.37814	1.4
527.33539	1.5
544.63708	1.3
721.41626	9.3
722.41846	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	721.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88768	0.7
55.01774	0.9
57.03312	0.8
59.01248	100.0
60.01585	0.8
61.98705	2.9
71.01250	8.6
73.02806	3.5
79.63661	0.6
83.01269	2.0
85.02811	7.3
85.06454	6.5
87.00785	1.0
89.02316	1.4
93.81036	0.7
95.01275	1.2
97.06467	0.9
99.00745	1.2
99.87980	0.6
101.02322	8.5
113.02318	6.5
143.03455	0.8
161.04489	4.0
210.42921	0.6
213.30040	0.7
214.19095	0.7
375.29099	1.5
501.32126	1.0
507.83011	0.8
519.33417	1.7
549.34723	0.8
617.40588	11.4
618.41223	2.3
635.41504	8.5
636.42554	2.4
677.42645	11.8
678.43457	2.9
729.15485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.0
57.03315	0.8
59.01251	100.0
60.01598	0.8
61.98710	1.8
64.91939	0.6
69.81101	3.0
71.01262	5.4
73.02829	1.9
83.01268	1.0
85.02824	3.9
89.02316	0.9
99.00698	0.6
101.02328	3.7
113.02350	2.2
116.92767	1.6
135.57568	0.5
161.04471	1.1
197.11864	0.9
209.11787	0.9
239.12779	0.6
436.11920	0.6
464.12387	0.5
635.41327	4.9
636.42078	0.8
677.43079	3.6
678.42920	0.7
679.41290	1.1
721.32886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	15.0
61.98692	2.0
67.42209	0.6
69.03313	0.8
69.87735	0.8
69.88148	2.5
71.01251	7.3
72.77933	0.6
73.02807	2.2
74.14669	0.6
80.02521	0.9
81.03334	1.2
83.01226	0.6
83.04891	1.9
85.02820	2.3
87.00757	1.9
89.02322	5.2
95.01263	1.5
95.04904	4.0
97.02831	3.8
97.06429	0.9
98.20692	0.6
99.04377	0.9
101.02331	6.5
106.04180	0.9
109.06474	11.8
110.03600	1.5
111.04380	1.4
113.02323	2.7
114.97376	0.6
116.13064	0.6
116.44810	0.6
119.03370	1.6
121.06495	1.2
127.07526	0.6
133.06450	0.7
135.08051	1.6
142.02705	1.3
145.04950	0.6
149.09608	0.7
161.04448	2.1
161.09622	1.8
163.11195	10.8
179.05544	1.8
179.10785	1.6
181.12273	2.8
189.09105	5.8
197.11797	0.9
207.10207	40.7
208.10548	2.6
225.11275	100.0
226.11591	4.7
235.08177	6.4
253.09277	11.1
277.21716	76.3
278.22012	6.3
305.25421	0.8
398.02866	0.6
443.19211	7.7
444.19501	0.7
461.20303	20.0
462.20651	1.5
627.60065	0.7
703.41364	0.9
721.28845	0.9
721.41577	18.7
722.15057	0.7
722.42010	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	721.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13886	0.2
56.53453	0.2
59.01247	100.0
60.01586	1.2
61.98696	1.3
67.59941	0.2
70.09267	1.2
71.01261	0.5
78.95770	0.3
87.00749	1.1
101.02303	0.3
109.06455	1.3
119.88946	0.2
163.11176	0.7
207.10184	3.4
208.10562	0.5
211.13374	0.3
225.11273	2.2
226.11736	0.3
227.07161	0.6
227.79288	0.3
245.08226	1.2
253.09355	0.4
272.14886	0.3
277.21692	3.3
278.22110	0.5
291.19708	0.5
302.43890	0.3
302.68817	0.3
443.19562	0.5
461.20334	0.6
659.29272	0.3
721.41687	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08628	0.5
55.01746	0.5
57.03323	1.0
59.01250	100.0
60.01593	1.2
61.98697	10.3
69.03333	0.8
71.01252	22.1
71.51691	1.2
72.99184	1.4
73.02814	20.6
74.03173	0.6
75.00751	0.9
83.01261	6.2
85.02815	5.3
85.03231	0.5
87.00757	1.8
89.02312	8.4
95.01263	2.3
99.00771	0.9
101.02319	22.0
113.02324	11.5
113.03066	0.7
119.03410	5.0
119.04866	0.9
125.02364	1.4
129.71289	0.5
131.03383	3.0
143.03418	3.2
149.04427	5.6
151.44797	0.5
161.04466	11.1
161.05862	0.7
171.10162	1.0
179.05585	2.9
187.02203	0.5
197.49620	0.6
203.05598	0.7
221.06577	5.5
247.13390	0.7
305.17743	0.8
349.16541	6.5
605.40533	1.6
635.42395	0.8
647.41559	9.6
648.42407	1.8
661.39362	1.1
677.40143	4.6
678.40814	0.7
721.39075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04592	0.7
55.01750	0.8
55.74956	0.7
57.03316	1.3
59.01249	62.3
61.98701	4.6
67.01755	4.2
67.12125	0.7
69.38986	1.2
69.39344	7.2
71.01251	14.7
72.99181	16.3
73.02818	7.1
75.00757	1.2
75.77000	0.7
75.90845	0.9
83.01265	6.3
85.02819	12.7
87.00750	2.0
88.98658	0.8
89.02323	6.0
93.03329	15.6
95.01258	2.2
96.95910	2.7
97.02815	2.3
98.20551	1.9
99.00781	3.4
99.04371	1.9
101.02324	9.0
103.03896	2.7
108.02065	1.3
109.02835	1.0
111.00761	88.9
112.01084	1.7
113.02324	5.3
115.00267	0.9
115.03880	0.9
116.04965	0.7
119.03397	2.5
119.04913	27.1
120.05215	1.0
121.02816	2.1
122.06016	0.9
123.04404	1.2
125.02326	1.1
129.01831	2.9
132.05713	0.8
133.06497	1.4
134.03642	1.0
137.02345	2.3
143.03416	9.4
145.06485	1.2
149.02304	1.3
149.05960	3.2
150.03140	1.3
151.00290	1.5
152.00972	0.8
154.99754	10.1
160.03938	14.8
161.02321	3.0
161.04359	6.6
161.05641	0.9
161.09766	0.9
163.03903	22.1
163.05199	1.5
169.01320	5.3
169.06516	2.0
171.08037	1.2
173.00824	21.7
175.02321	0.9
182.07269	5.2
183.08000	1.4
185.05931	0.9
187.02394	9.0
187.03918	1.4
190.02596	1.5
195.08083	9.2
196.08852	1.7
197.09630	43.1
198.10005	2.7
205.03456	51.2
206.03760	1.0
209.11778	0.8
211.07678	5.0
211.11212	5.4
213.12761	6.9
237.09547	1.0
239.10724	10.7
245.11819	1.9
249.11386	3.9
257.11774	14.6
258.12109	1.1
265.09235	4.3
268.03635	1.5
269.04456	2.8
283.06424	0.8
283.09720	16.9
284.10205	1.6
293.08862	0.9
301.10788	100.0
302.11133	9.7
327.08829	1.7
345.09741	45.9
346.10138	3.9
349.13959	0.9
366.08475	1.3
369.11365	0.9
393.15616	3.0
419.52756	0.8
429.21417	2.9
446.89651	0.9
447.14804	0.9
448.15088	10.0
464.14240	0.8
478.16293	1.0
479.16757	1.9
492.14279	2.2
515.11786	1.0
524.16595	3.1
533.12885	3.3
559.21570	1.8
586.32880	1.5
587.33661	2.4
605.23773	3.0
613.22925	3.0
633.26331	0.9
645.25342	2.5
689.24670	3.4
721.27863	6.7
722.29297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61755	0.2
53.68906	0.2
53.94175	0.2
57.65342	0.2
58.84733	0.2
59.01249	100.0
60.01581	1.2
61.98701	5.4
62.54237	0.2
71.01252	0.5
71.21793	0.4
78.95792	0.2
89.02282	0.2
101.02323	0.3
109.06464	0.4
111.89616	0.2
134.27812	0.2
163.11230	0.4
172.16286	0.2
175.03970	0.6
180.95660	0.2
184.01619	0.2
206.02205	0.3
207.10170	2.1
210.12125	0.3
225.11261	4.7
225.13307	0.4
226.11603	0.3
227.07101	0.5
229.08710	0.7
232.54086	0.2
235.08229	0.6
245.08138	1.5
253.09358	0.7
263.09305	0.6
277.21695	4.6
277.24460	0.3
278.22116	0.3
293.21307	0.3
313.14557	0.5
337.02365	0.2
419.24121	0.2
443.19333	0.5
448.42682	0.2
461.20206	0.8
466.81937	0.2
479.41647	0.2
559.23749	0.8
572.91919	0.2
589.59613	0.2
593.24438	0.3
593.48578	0.3
692.05847	0.3
721.41461	1.7
722.42822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32277	0.4
59.01242	4.2
59.44512	0.4
61.98700	8.7
71.01234	0.4
75.00714	0.7
85.32816	0.4
87.46493	0.4
90.77645	0.4
93.93568	0.5
121.02854	0.8
132.81569	0.4
152.67477	0.4
165.01830	1.4
178.06543	0.4
189.92467	0.4
198.09160	1.2
222.05571	1.7
241.03720	0.6
244.07425	0.4
250.08632	0.7
254.04555	0.8
263.05811	0.6
264.06558	1.5
265.03763	0.5
266.04559	30.4
267.05246	6.8
278.04703	1.6
278.08209	7.1
279.05264	1.6
279.08865	1.7
290.08212	3.1
292.06143	8.4
293.06464	0.6
306.07687	17.1
307.08472	34.6
308.08749	2.5
311.08035	0.7
316.65759	0.5
322.10812	100.0
323.11151	8.6
339.07431	0.9
464.22729	0.5
587.59479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
60.01583	0.6
61.98703	1.6
63.89537	0.2
66.09353	0.2
73.32474	0.2
78.12524	0.2
117.61465	0.2
118.48717	0.2
143.47801	0.2
152.93973	0.2
174.03175	0.8
175.03886	0.3
183.08131	0.3
201.05550	0.5
206.02225	0.5
227.07077	3.5
228.07275	0.3
245.08150	11.7
246.08540	0.5
329.13831	1.2
457.66290	0.2
557.22003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22996	0.5
53.99778	0.6
55.01756	1.2
57.03321	6.4
58.00441	2.2
59.01250	41.8
59.84933	0.6
60.01593	0.9
61.98677	2.4
68.99676	0.9
71.01252	27.6
71.53457	0.8
72.99168	2.0
73.02816	4.7
75.00718	1.4
78.95750	1.0
81.03311	0.6
83.01243	3.1
83.04881	1.4
85.02818	28.7
87.00729	3.2
87.04367	1.2
89.02317	16.3
93.03327	1.4
95.01250	1.9
95.04924	1.0
96.95866	1.3
97.02818	1.2
97.06453	0.7
99.00743	1.7
99.04373	2.1
101.02326	16.7
103.03887	57.2
104.04213	0.9
107.04919	1.2
111.00709	1.4
111.04379	1.4
113.02317	10.1
113.05920	1.0
117.05441	1.3
118.97979	0.7
119.03403	6.3
119.04897	3.4
120.05694	0.6
123.08078	0.8
125.02324	1.3
125.05889	0.8
127.03896	0.8
131.03355	0.9
133.06482	0.8
135.04424	1.4
135.11678	2.8
137.02386	1.1
143.03386	2.0
143.08549	1.3
145.04930	2.7
149.05945	1.3
149.09615	0.9
151.00275	0.8
152.04674	1.0
157.04935	2.2
159.08035	1.2
159.11679	1.4
161.04402	2.0
161.08444	1.1
161.09631	13.5
163.03902	2.4
163.11163	0.6
171.00505	0.6
175.11179	1.3
177.12708	1.5
179.05486	1.5
179.09349	0.9
179.10718	11.4
180.59486	0.7
185.09584	1.1
187.07623	1.0
193.12238	1.4
203.10689	4.5
205.04988	0.9
205.08566	1.8
221.11874	3.0
223.09639	2.5
229.08565	1.1
239.12735	1.8
247.07927	4.4
265.09229	48.3
266.09659	3.0
269.04498	1.5
271.06042	0.6
285.04004	0.7
323.11044	1.1
387.10706	0.6
425.19373	0.7
427.19714	10.1
428.20071	0.7
453.17670	4.7
471.18762	11.8
471.25711	1.8
472.18820	1.7
507.29657	0.8
513.19714	2.7
513.26996	1.9
525.30457	2.4
543.20428	1.0
543.32080	1.1
544.62421	0.7
549.30841	0.9
567.31726	7.1
568.32025	0.9
573.22046	6.1
579.31793	1.5
585.32678	4.0
615.22711	0.8
633.23834	11.4
634.24414	2.3
676.30072	0.8
701.26471	0.7
719.27600	100.0
720.27924	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63043	0.9
57.03326	8.2
58.00457	1.7
59.01250	43.8
61.98701	9.0
66.78217	0.9
71.01250	32.5
71.04874	1.1
72.99158	1.6
73.02824	6.2
75.00726	1.9
81.03316	0.9
83.01265	5.2
85.02823	34.0
87.00728	4.4
87.04367	1.4
89.02316	15.1
93.03335	1.7
95.01249	2.0
96.95882	1.8
97.02158	0.8
97.02805	3.3
97.06422	0.9
98.19797	2.2
99.00758	1.8
99.04369	1.6
101.01724	1.2
101.02320	19.0
103.03889	65.1
107.04855	1.3
108.02051	5.8
109.02814	3.1
109.06421	1.1
111.00739	1.7
111.04398	0.9
113.02332	10.3
113.05928	0.8
119.03374	7.1
119.04874	3.4
120.99499	1.4
121.02795	3.2
122.99123	1.0
123.04352	1.9
125.02289	2.3
127.03839	2.0
131.03355	1.9
133.02797	0.9
135.04353	2.1
135.11665	1.8
137.02365	1.2
143.03355	1.4
145.04941	2.2
146.07216	1.1
149.02278	1.6
151.00252	1.2
152.01028	5.4
153.01814	2.0
157.04930	2.5
159.08046	5.6
159.11676	1.6
160.03908	1.1
161.02145	0.8
161.04431	2.8
161.08444	1.3
161.09622	16.1
163.03865	2.6
165.05409	1.5
167.03413	1.0
175.02414	1.0
175.03888	1.3
176.01097	1.0
177.01848	1.8
177.12674	1.0
179.05487	2.1
179.10678	13.6
181.05063	1.0
190.02585	1.1
191.03316	1.1
191.06987	1.1
193.04883	1.1
193.12238	1.8
194.67442	1.0
203.10674	3.6
205.04886	0.9
205.08549	2.2
221.11699	2.1
223.09682	4.4
229.08614	1.0
241.14348	1.3
247.07964	5.6
265.09247	51.1
266.09525	3.6
269.04376	1.6
285.03802	1.5
315.07391	4.5
339.07074	2.5
383.05893	3.0
427.19638	8.9
428.19916	1.3
450.84619	0.9
453.17813	8.3
471.12683	1.3
471.18784	16.8
471.25385	1.2
472.18777	1.6
495.18805	1.1
513.20331	4.1
513.26660	1.1
525.30573	1.6
543.20905	1.7
567.31476	1.7
573.21857	6.5
585.32703	7.0
597.32367	1.1
633.24048	12.3
634.23059	1.9
675.27985	9.4
676.28870	1.4
719.27429	100.0
720.27734	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70760	0.2
57.03316	0.4
59.01251	7.6
59.67644	0.2
61.98692	0.7
65.00194	0.3
67.01753	1.1
69.03331	0.2
71.01249	5.2
72.99193	0.5
73.02811	3.1
75.00739	0.2
83.01266	1.1
85.02810	2.2
87.00751	0.6
87.04388	0.3
89.02326	1.4
91.01776	0.6
91.05424	0.2
93.03346	1.2
95.01247	0.3
96.95891	0.8
97.02818	0.4
98.19746	0.4
99.00742	0.7
99.04391	0.4
101.02314	2.8
103.03893	1.0
106.33545	0.2
107.04925	0.3
108.02023	0.6
109.02863	0.3
111.00764	6.2
111.04372	0.2
113.02328	1.7
116.23340	0.2
117.03374	0.3
119.01262	1.4
119.04910	100.0
120.05239	3.6
121.02843	1.0
123.04434	0.4
134.03598	0.5
135.04399	0.4
137.02347	0.7
138.03203	0.2
143.03391	2.4
145.02872	0.6
147.00795	0.8
149.02339	3.7
150.03056	0.7
151.00259	0.4
151.03848	0.2
152.01036	0.7
153.01825	0.5
154.99712	0.4
159.03014	0.2
160.03908	0.3
161.04478	0.7
162.03214	0.4
163.03911	78.3
164.04530	4.8
165.01810	0.6
165.05484	0.5
169.01309	0.5
175.00272	9.1
175.03937	0.3
176.01060	2.1
177.01563	0.3
177.05489	2.9
179.05612	0.3
179.07080	0.9
187.02440	1.1
189.01860	0.3
190.02626	26.3
191.03337	3.8
194.01938	0.3
203.03354	0.2
205.04990	27.7
206.05354	1.7
208.03580	0.5
209.04488	0.7
221.08316	0.3
223.06071	4.0
224.06323	0.3
247.05989	0.3
265.06989	0.3
265.09277	1.5
269.04529	0.3
333.08316	0.4
352.07925	0.5
353.08707	3.7
354.09357	0.4
367.10300	28.7
368.10632	2.0
457.55795	0.3
471.18546	0.4
495.29230	0.3
515.15082	0.3
525.30823	1.6
531.15027	53.4
532.15375	6.6
543.31744	0.6
555.31458	0.4
557.16431	0.3
567.31488	0.4
585.32867	3.1
597.32843	0.8
718.29742	0.3
719.32343	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.3
61.36018	0.3
61.98701	0.6
65.00195	0.7
65.38805	0.3
67.01766	2.0
69.36308	0.5
69.36712	2.3
71.01248	4.0
73.02816	3.4
75.26922	0.3
82.59660	0.3
83.01257	1.0
85.02805	1.9
87.00742	0.5
89.02301	0.4
93.03350	0.9
95.01302	0.6
97.02815	1.2
99.04404	0.8
101.02335	1.7
103.03905	0.8
108.02087	0.3
110.99979	0.4
111.00758	13.0
113.02337	1.4
117.03337	1.8
119.01266	1.1
119.04914	100.0
120.05255	3.8
121.02841	2.3
123.04408	0.6
129.91795	0.3
135.04433	0.5
137.02333	0.5
143.03401	5.0
144.03764	0.3
145.02861	3.3
147.00781	0.7
148.01585	1.6
149.02350	3.9
150.03139	4.7
151.03816	0.3
152.01039	0.7
153.01810	0.9
154.99731	0.4
161.04549	0.4
162.03059	0.8
163.03917	38.1
164.04671	4.1
165.01855	0.4
165.05450	1.9
167.03441	0.4
169.01340	2.5
175.00304	8.0
176.01070	19.4
177.01610	1.1
177.05482	14.5
178.05835	0.7
179.07042	0.9
187.02409	3.5
190.02638	21.2
191.03421	23.5
192.03859	1.3
193.01399	0.4
194.02165	1.4
198.13704	0.3
205.04993	25.7
206.05379	1.3
207.06538	0.9
208.03622	0.7
209.04472	5.1
215.98888	0.4
218.02132	0.4
223.06042	4.2
233.04559	0.4
247.06001	0.4
251.05563	1.2
265.09421	0.8
281.17822	0.3
293.72330	0.3
338.06326	0.6
353.08759	15.3
354.09155	1.3
367.10306	20.8
368.10709	1.6
525.30463	0.4
531.15051	70.0
532.15436	10.1
543.31818	0.7
548.87396	0.4
567.31702	0.7
585.32678	2.7
597.32727	0.5
719.29089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45846	0.2
59.01248	3.6
60.01578	0.6
61.98699	100.0
69.49420	0.2
73.92485	0.2
98.20566	0.5
121.10126	0.4
122.10495	0.2
149.09628	3.0
150.09985	1.6
151.10191	0.4
213.83316	0.2
229.21536	0.2
283.21915	0.2
390.20148	0.4
598.42139	0.7
599.42267	1.6
600.42499	2.7
658.47382	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.2
60.01574	0.4
61.01667	0.3
61.98698	100.0
62.98423	0.1
70.38707	0.5
113.41623	0.2
121.10123	0.5
122.10442	0.3
149.09622	2.5
150.09952	1.5
151.10194	0.4
167.10762	0.2
209.11786	0.4
255.23320	0.5
597.41736	0.2
598.42151	0.7
599.42145	1.8
600.42450	3.0
600.52087	0.2
657.46600	0.4
658.46582	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.3
57.23026	0.8
58.00463	1.1
59.01247	22.9
71.01250	21.1
71.52701	1.3
73.02814	1.8
83.01266	1.4
83.66380	0.8
85.02824	21.7
87.00741	1.8
87.04396	3.2
89.02311	14.0
93.03340	2.9
95.01292	1.4
99.00778	1.3
101.02320	13.5
103.03885	41.1
104.04198	1.4
106.04122	12.9
107.04911	2.8
108.02042	2.1
108.89375	1.0
109.02829	1.4
109.31952	0.9
110.80584	0.9
111.00760	1.3
113.02338	7.3
115.13680	1.0
119.03415	5.6
119.04825	1.7
121.02808	1.0
123.04336	1.0
125.02303	1.1
137.02344	2.1
138.03120	3.2
143.03334	1.2
147.08038	1.8
149.02339	2.0
150.03076	1.6
152.01097	1.0
159.08073	1.0
161.04436	1.4
175.11185	19.1
179.03357	0.9
179.25853	0.9
182.02124	2.2
184.51468	1.0
185.09628	1.9
187.11211	6.3
191.01901	1.7
200.63614	0.8
203.10698	2.6
205.05165	1.0
205.12244	1.2
217.12291	1.4
219.10197	2.1
245.15526	1.0
253.08675	1.4
263.16501	3.6
265.09262	92.2
266.09647	4.9
284.98715	1.0
289.14935	1.3
304.04407	0.9
307.15497	52.8
308.15927	5.2
321.17197	1.6
322.32504	1.0
349.16525	41.9
350.16928	4.2
379.17673	3.9
409.18570	11.0
451.19531	1.1
469.20459	2.6
493.17795	1.0
511.22144	1.9
537.23425	10.7
538.23816	1.9
555.24420	93.3
556.24780	14.3
717.29785	100.0
718.30109	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	717.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08192	0.6
59.01249	100.0
60.01578	0.8
61.98701	12.4
70.10450	0.7
70.27375	2.4
80.91560	0.7
108.17046	0.7
110.42501	0.6
120.09212	0.8
129.17242	0.7
173.54898	0.8
261.64645	0.6
452.11166	0.9
453.11600	1.7
457.18976	1.6
459.16788	2.5
467.13437	2.2
480.14328	0.8
481.10760	3.7
482.12042	1.0
495.17123	1.3
496.13809	13.2
497.14514	10.0
498.14771	2.1
509.14658	1.1
510.15442	4.4
511.15985	10.1
512.17145	3.3
513.17456	4.4
528.12903	1.3
539.18921	2.6
540.18829	0.9
544.16101	5.6
545.16443	2.0
553.17163	1.2
567.18854	9.6
568.19147	1.9
570.17261	2.1
571.18335	10.6
572.18573	2.5
583.18579	1.4
589.18958	1.7
597.19690	2.5
598.20825	3.7
599.21405	35.2
600.21643	8.8
602.16418	2.8
603.16486	1.1
614.19714	0.8
625.19067	1.9
630.19757	2.1
631.20203	1.8
657.22009	18.3
658.22302	5.3
717.24091	76.2
718.24310	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.4
60.01582	0.5
61.01668	0.4
61.98697	100.0
62.98392	0.3
66.84373	0.2
69.29877	2.0
71.01251	0.4
98.19777	0.2
126.23068	0.2
147.08017	2.2
148.08351	2.0
149.08594	0.4
171.10237	0.5
255.23303	0.5
297.38452	0.2
397.13428	1.1
582.76959	0.3
596.40594	0.5
597.40564	2.0
598.40906	3.8
656.45081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	25.4
60.01588	2.0
61.01682	0.9
61.98700	100.0
71.15794	0.5
74.52177	0.3
76.97974	0.3
106.04130	0.6
121.10071	2.0
122.10461	0.4
149.09616	15.3
150.09947	4.7
251.87897	0.4
280.30850	0.4
597.42010	1.9
597.50293	0.5
598.41895	11.7
599.42297	1.1
655.45441	0.6
656.46033	4.6
657.46741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81428	0.3
58.80494	0.2
59.01247	22.9
59.27298	0.2
60.01587	2.0
61.01677	1.6
61.98698	100.0
71.28835	0.5
77.95000	0.3
83.86967	0.3
98.20426	0.3
99.70289	0.3
121.10122	1.0
122.10526	0.3
142.06770	0.3
149.09612	5.6
150.09969	2.1
160.02898	0.2
161.30301	0.3
189.42220	0.3
221.97441	0.3
240.78484	0.3
255.23300	0.3
307.27823	0.3
405.77869	0.3
525.26019	0.3
574.57520	0.3
597.41937	1.0
598.41949	5.1
598.51489	0.3
608.43353	0.5
656.45703	3.5
657.46179	0.3
664.05353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12579	0.2
59.01252	4.1
60.01583	0.5
61.01677	0.6
61.98700	100.0
62.98412	0.2
63.25227	0.2
67.61242	0.2
72.09881	0.2
98.19833	0.4
101.55421	0.2
119.08591	0.5
135.11253	0.2
139.73042	0.2
147.08041	2.3
148.08408	1.4
149.08617	0.4
178.26863	0.2
200.34818	0.2
255.23334	0.2
596.40552	0.7
597.40808	1.9
598.41064	3.1
656.45197	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.2
60.95051	0.1
61.98700	100.0
62.42236	0.1
62.98395	0.1
71.01261	0.1
89.02302	0.1
114.42712	0.1
141.70763	0.1
164.25146	0.1
198.09172	0.1
209.11871	0.1
237.88506	0.1
255.23201	0.1
256.03601	0.1
256.23621	0.2
397.13763	0.1
398.13916	0.1
399.14032	0.3
416.15106	0.1
482.64536	0.1
642.92023	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.4
61.98701	100.0
62.98413	0.1
64.74133	0.1
71.01256	0.2
77.37750	0.1
88.69271	0.1
89.02328	0.1
98.19814	0.1
101.02317	0.1
195.31155	0.1
220.61887	0.1
253.68871	0.1
255.23256	0.2
256.23651	0.2
257.23911	0.1
262.18085	0.1
293.70294	0.1
329.77744	0.1
345.74945	0.1
377.16980	0.1
397.13364	0.1
399.14041	0.2
400.14267	0.2
465.16113	0.1
486.54309	0.1
545.98138	0.1
717.24176	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	83.5
61.98698	1.9
70.12868	5.6
71.56207	1.2
80.02567	1.7
98.20507	1.3
104.85941	1.4
106.04130	3.1
108.71241	1.2
110.14281	1.2
121.10114	14.1
149.09613	89.8
150.09935	6.5
167.10738	1.6
254.34311	1.2
390.62463	1.3
447.31079	1.8
450.79324	1.2
597.41571	100.0
598.41925	16.2
655.45776	24.4
656.46307	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	715.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18814	1.0
55.01762	1.9
57.03326	8.3
58.00470	2.0
59.01250	82.2
61.98704	11.0
64.33218	0.8
67.05441	1.0
69.03333	2.6
69.17265	11.3
71.01250	32.1
72.99187	4.6
73.02824	8.8
75.00751	2.1
79.59747	1.3
83.01282	4.8
83.04909	4.1
85.02822	19.6
85.99961	1.0
87.00768	2.3
87.04395	4.2
89.02313	17.5
93.03339	3.8
95.01274	2.9
95.04908	2.2
96.95894	3.9
97.02839	2.2
98.20558	2.6
101.02321	16.5
102.82901	1.1
103.03884	11.8
108.02052	12.2
108.49512	1.0
109.02863	6.9
109.06472	1.7
111.00787	1.3
111.08028	2.9
113.02336	11.4
119.03410	5.9
119.04909	2.9
120.99550	1.2
121.02846	4.0
122.03634	3.1
123.04355	1.9
123.08039	2.9
125.02361	2.5
129.01816	1.2
133.10056	1.5
134.05869	1.0
135.04425	2.4
136.01585	1.5
136.05168	2.2
137.02336	4.2
137.06056	1.0
143.03377	1.3
149.02365	3.9
150.03105	1.1
151.00294	3.8
151.03903	2.5
152.01060	15.3
153.01851	6.9
161.02359	1.3
161.04459	3.3
163.03955	2.3
163.07607	1.0
164.04686	1.9
165.01813	2.2
165.05487	1.6
165.09161	1.4
166.02692	1.2
167.03366	1.8
175.00246	2.3
176.01105	1.6
177.01855	5.5
179.05507	3.2
181.04991	2.0
190.02661	3.8
191.03452	1.2
195.13853	3.5
201.09232	1.3
205.05002	4.6
206.05594	1.7
223.06123	3.5
233.15428	1.1
239.12973	2.3
241.14406	11.1
245.04469	8.2
245.08139	3.6
245.11845	4.4
261.14960	2.7
263.12982	1.4
265.09271	25.4
265.14185	1.6
266.09628	2.1
269.04547	4.1
271.06317	1.2
286.94705	1.2
301.09357	1.6
305.13977	7.9
315.07214	21.0
339.07126	8.7
347.14880	7.4
371.08780	1.2
383.06119	9.1
401.07025	1.3
403.28790	1.8
407.10086	2.7
407.17065	8.4
408.17212	1.2
447.27719	1.5
449.29050	100.0
450.29382	13.3
467.19086	2.1
475.08838	5.6
475.27051	10.0
476.27039	1.3
493.28128	22.9
494.28372	3.3
509.20587	2.8
535.21661	5.6
535.29187	9.7
553.22565	22.1
553.30243	58.9
554.22998	4.2
554.30560	8.0
595.23212	1.4
595.31500	2.3
611.34332	78.9
612.34869	12.5
655.33289	39.4
656.33569	5.6
671.25757	2.2
715.26294	17.9
715.37927	43.6
716.25873	3.1
716.36023	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	715.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93567	0.8
57.03299	3.3
58.00462	1.7
59.01244	24.5
69.59449	2.4
69.59866	3.6
71.01251	17.8
71.01628	1.8
72.99191	1.5
73.02802	3.0
75.00748	1.1
81.03329	1.4
83.01236	1.0
85.02818	19.9
87.00752	2.6
89.02312	13.3
93.03329	2.4
95.01266	1.4
101.02319	11.2
103.03885	36.4
106.04118	8.4
107.04903	3.1
108.02059	0.9
109.02802	1.3
111.00761	1.5
113.02334	6.3
119.03366	6.4
119.04890	1.2
121.02823	3.0
134.03624	1.2
137.02310	2.4
138.03111	3.7
147.07976	1.8
149.02318	5.0
150.03137	5.3
151.03915	0.9
152.01141	0.9
159.08029	1.4
160.04056	1.0
161.04524	0.9
161.09628	24.2
163.03815	1.4
164.04686	1.5
165.05470	3.5
167.03445	1.4
179.05453	1.2
180.04297	1.0
182.02046	1.6
190.02632	3.4
191.07094	1.1
195.06636	1.5
197.15469	1.0
203.07091	3.1
203.10652	0.9
204.07857	1.7
205.05107	5.0
205.08623	16.5
206.08885	1.4
209.04448	1.1
219.10207	1.0
221.07988	1.0
223.06104	4.5
239.16557	1.5
241.46642	0.8
243.13864	2.0
247.09845	4.8
249.11366	1.3
265.09283	70.8
266.09650	4.6
284.91806	0.9
287.12854	3.3
305.13922	30.1
306.14197	2.8
329.13965	1.4
347.14954	24.5
348.15192	2.2
377.16171	4.0
407.17072	7.7
449.18439	1.3
467.18991	1.8
509.20370	4.9
519.17084	6.9
526.94525	1.1
535.21704	13.5
536.21704	1.5
553.22852	100.0
554.23120	13.4
595.24786	1.1
715.28137	76.9
716.28613	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	715.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.4
57.03320	0.5
58.00477	0.9
59.01248	100.0
60.01582	0.8
60.73175	0.4
61.98705	2.1
66.67176	0.4
67.01760	0.4
69.03339	0.8
70.85955	1.2
70.86999	0.4
71.01252	22.7
72.99178	1.6
73.02814	18.7
74.98917	0.5
75.00739	0.6
81.03341	1.0
83.01254	7.1
85.02816	4.8
87.00747	2.2
89.02311	12.7
89.02831	0.8
93.03311	0.7
95.01266	2.3
97.02821	0.6
98.03384	0.4
99.00761	1.8
101.02319	26.9
103.03865	0.5
106.65081	0.5
108.02065	1.4
109.02798	0.8
111.00769	1.8
113.02317	9.5
115.20291	0.4
119.03387	6.2
119.04828	0.6
121.02839	0.5
125.02324	1.9
129.01865	0.7
131.03348	3.0
137.02361	0.6
138.53508	0.4
139.00291	0.5
143.03391	3.0
147.08034	0.5
149.02438	0.4
149.04459	7.6
152.01109	1.1
153.01801	0.6
155.03410	1.1
159.02998	0.6
160.03987	0.9
161.04453	10.9
162.04781	0.4
163.03900	0.7
166.99788	0.5
167.03444	0.8
173.04596	0.4
177.64998	0.4
179.05553	2.2
181.05090	0.5
190.02657	0.4
191.05556	1.3
195.06560	0.7
203.05563	1.3
209.39618	0.4
221.06575	4.9
247.11966	1.6
249.13414	2.4
257.13947	0.4
265.09122	0.7
287.12903	0.6
289.12885	2.5
305.14081	2.6
315.07263	1.2
327.08643	0.9
347.14874	0.6
373.09561	0.5
381.17587	7.1
382.17856	0.8
509.20163	6.7
510.20395	1.1
528.08600	0.5
648.28772	0.5
715.27325	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.1
59.01244	36.7
59.69028	1.3
61.98695	1.8
63.31104	1.3
70.71326	1.7
71.01248	24.6
71.52998	1.8
72.99161	2.3
73.02812	4.7
83.01232	3.2
85.02822	20.1
87.00777	2.6
89.02312	18.6
95.01266	1.6
95.33215	1.5
96.95870	1.6
101.02325	13.9
102.01815	1.3
103.03881	28.2
106.04165	3.2
107.04911	2.9
113.02325	10.7
116.04913	2.2
119.03384	8.9
119.04879	3.7
121.02848	1.6
122.14059	1.3
125.02393	1.8
129.01791	1.6
137.02330	2.8
143.03418	2.2
147.08028	8.6
149.02328	1.9
150.03130	2.3
152.01015	2.3
160.03949	50.2
161.09592	1.6
163.03883	2.5
173.09634	2.4
182.02136	1.8
187.09593	1.7
191.07101	6.6
195.06609	1.8
205.05028	1.7
205.08640	1.7
219.06520	4.6
225.12772	2.6
233.08095	2.1
241.14357	4.5
261.07645	2.8
265.09274	56.7
266.09732	2.7
269.11725	1.6
287.12918	4.7
303.09280	1.4
305.14008	6.9
329.13812	3.1
347.14886	3.3
349.12906	1.6
389.16107	1.8
407.17340	2.7
449.18027	8.2
467.19220	9.2
468.19806	1.8
493.23587	2.0
509.20242	10.0
535.21942	3.5
553.22717	14.3
554.16382	2.1
554.23584	1.8
715.28223	100.0
716.29541	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.3
59.01245	2.2
60.20474	0.1
61.98698	1.4
65.15988	0.1
66.62070	0.1
69.41001	1.1
71.01246	1.3
72.99162	0.2
73.02798	0.1
75.45767	0.1
79.51611	0.1
80.52704	0.2
82.28625	0.1
83.01229	0.1
85.02808	0.8
87.00742	0.2
89.02314	0.6
91.01747	0.2
93.03321	0.5
95.01262	0.2
96.95877	0.4
100.25185	0.2
101.02312	0.5
106.04115	0.2
107.04919	0.2
108.02042	0.3
111.00787	0.2
113.02316	0.6
116.92686	0.3
119.01277	0.6
119.04916	0.6
121.02840	0.6
125.02322	0.3
127.13123	0.2
130.04105	0.3
135.04385	0.2
137.02377	0.4
145.02844	1.8
146.03619	0.2
147.00739	0.5
147.04411	0.5
149.02338	0.7
149.05959	0.2
150.03114	0.2
151.00288	0.3
161.02312	0.2
163.03900	0.4
164.04691	0.6
165.01849	0.2
165.05397	0.2
173.02327	0.9
174.03125	8.7
175.00276	2.9
175.03897	3.5
175.07622	0.2
176.00797	0.3
178.02629	0.5
183.08084	0.3
186.06758	0.2
190.02628	6.0
191.03114	0.3
195.13840	0.2
199.07564	0.9
201.09174	1.3
205.04977	3.1
206.02126	6.2
207.02484	0.4
212.04707	0.2
223.06140	0.5
226.06233	0.2
227.07065	4.4
228.07378	0.4
229.16057	0.2
230.08978	0.1
239.12645	0.2
241.14430	0.3
245.08139	100.0
246.08490	6.7
246.11111	0.2
269.04526	0.3
271.05731	0.2
273.14923	1.1
315.15906	0.3
350.53052	0.2
469.17059	1.2
470.17773	0.2
553.26538	2.2
554.26508	0.2
715.26056	1.3
716.25763	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.3
57.03320	7.1
59.01251	49.1
61.98706	7.3
68.94735	1.0
69.03317	1.1
71.01252	73.2
72.01579	1.9
72.99173	3.5
73.02808	6.2
75.00722	2.0
75.07323	0.9
81.03307	1.6
83.01257	4.3
85.02821	31.7
87.00755	3.3
89.02314	25.9
93.03319	4.3
95.01255	4.0
96.95882	2.0
98.20617	1.6
99.00742	1.2
101.02317	23.5
102.02664	0.9
103.03887	66.9
106.06544	1.3
107.04905	1.3
108.02051	23.6
109.02863	10.1
111.00768	1.8
113.02331	12.8
115.03918	1.3
119.03385	11.1
119.04865	2.8
121.02840	2.6
122.03617	1.8
123.04398	1.5
125.02287	1.4
129.01834	1.7
131.03386	1.3
133.02893	1.5
134.03590	1.1
135.00705	1.3
135.04449	1.8
136.05177	3.4
136.58911	1.0
137.02325	3.9
143.03351	1.6
147.04395	1.3
149.02339	2.1
149.04510	1.6
149.06012	1.5
151.00266	1.9
151.03857	1.7
152.01053	28.2
153.01839	13.1
157.04967	20.6
158.05249	1.1
160.03931	2.0
161.04436	2.6
163.03870	2.9
164.04642	1.6
165.01901	1.5
165.05423	1.2
165.09059	2.0
167.03397	1.3
175.03897	4.9
176.04730	3.6
177.01851	9.8
177.05472	3.8
179.05495	4.6
179.06911	1.4
179.10510	1.3
181.04863	1.7
186.07013	1.2
190.02608	2.4
191.03477	1.2
191.07054	1.4
193.05014	1.1
195.06494	1.2
195.13817	1.7
203.03429	18.0
204.03751	1.1
205.05093	2.0
220.03596	1.5
223.06029	2.7
241.14371	3.8
243.13713	1.1
247.08183	35.1
248.08632	1.7
261.14969	1.5
263.09009	1.6
265.09277	100.0
266.09662	5.1
269.04626	2.0
305.10260	3.7
305.13925	6.8
306.14145	1.4
315.07208	35.1
316.07629	1.3
339.07117	16.0
340.07617	1.2
347.15057	1.8
383.06244	16.1
401.07162	7.4
509.20041	5.8
511.21503	1.4
511.32660	2.5
535.19348	1.3
535.29193	2.1
539.75153	1.1
553.18976	20.5
554.19556	2.3
571.23322	1.2
671.25201	9.6
672.26300	2.0
715.24738	40.8
715.38470	8.9
716.25317	8.4
716.38538	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	715.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51084	1.4
52.85843	1.4
57.03310	4.2
59.01250	38.8
61.98700	8.8
69.47520	10.7
71.00897	2.3
71.01250	26.6
72.99157	2.0
73.02813	18.2
75.00701	1.7
78.95805	2.6
79.95599	1.5
83.01270	7.9
83.04902	3.0
84.37476	1.6
85.02843	10.3
87.00745	3.3
89.02333	7.8
93.03307	4.3
95.01253	1.4
96.95885	3.4
97.02869	1.4
98.20566	1.5
99.00749	1.6
99.04369	1.6
101.02318	19.8
103.03900	5.8
105.93304	1.3
107.04939	2.3
108.02044	10.8
109.02831	5.5
113.02319	13.0
119.03416	2.2
119.04879	3.8
120.99535	1.8
121.02823	7.6
122.03638	18.3
123.04448	2.7
124.01570	2.1
125.02319	2.9
127.92970	1.4
128.07007	1.4
134.03577	2.6
135.04393	5.8
136.01549	5.6
137.02325	6.1
137.05978	1.5
137.09613	1.5
139.07637	1.5
141.23360	1.4
149.02315	2.0
149.05914	2.4
149.09607	1.7
150.03108	3.1
151.00218	2.3
152.01054	13.8
153.01776	5.1
159.04468	2.8
161.04413	2.6
163.03915	4.5
163.07521	2.0
164.04720	2.9
165.01840	2.2
165.05452	2.5
167.03389	1.9
173.05916	1.6
175.00342	1.9
175.03812	1.4
175.07591	9.0
176.01030	1.6
176.04565	1.7
177.01976	2.1
190.02625	3.1
191.03401	1.8
195.13838	8.5
205.04979	5.6
219.06558	3.7
220.07364	3.9
223.06058	4.1
231.13869	3.3
241.14398	34.8
242.14812	2.0
243.13927	10.1
245.08075	1.9
261.14960	27.8
262.15216	2.7
265.09277	9.2
265.14435	5.7
269.04480	3.3
287.12839	5.1
289.14389	2.6
305.13922	100.0
306.14386	9.0
315.07199	3.4
347.15012	17.6
389.16190	3.0
401.80063	1.6
449.18170	4.1
467.19196	32.3
468.19852	3.5
493.24545	3.9
506.10461	10.2
507.10782	2.4
509.20242	86.8
510.20480	12.8
520.11993	2.5
611.33984	4.2
671.25549	99.4
672.26056	16.5
697.61487	1.5
715.25250	5.1
715.37408	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	715.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	6.9
58.00455	1.7
59.01250	57.9
61.98699	9.0
67.13078	1.6
69.03303	2.7
71.01247	58.8
71.53203	1.6
72.99156	5.1
73.02830	8.1
75.00717	2.2
81.03303	1.9
83.01243	5.1
83.04894	2.0
85.02817	35.1
86.03206	1.5
87.00739	3.6
89.02313	28.6
93.03307	7.0
95.01246	4.1
96.95869	4.5
96.96834	1.7
97.02842	2.0
99.00749	3.5
101.02321	27.7
103.03205	2.7
103.03888	50.8
106.04163	1.6
106.41666	1.3
107.01257	1.6
107.04903	2.5
108.02052	52.7
109.02845	22.0
111.00771	2.8
113.02323	17.2
116.04913	1.7
119.03403	14.4
119.04873	5.2
120.01135	2.1
121.02827	11.0
122.03644	2.2
123.04372	2.9
125.02299	3.8
127.53207	1.2
129.01788	1.5
132.04623	1.4
133.02867	2.7
135.00769	3.8
135.04410	3.2
137.02304	6.3
143.03363	3.4
145.02795	2.6
147.04350	2.6
149.02315	4.5
149.05954	1.9
150.03093	5.3
151.03847	3.9
152.01054	58.8
153.01849	27.6
153.05437	1.6
157.04927	6.6
159.04370	3.4
160.03943	41.4
161.02307	2.8
161.04433	3.5
161.09569	1.2
163.03880	9.8
164.04683	2.7
165.01791	2.1
165.05473	9.3
166.02670	1.4
175.03851	6.3
176.00929	2.1
177.01854	25.5
177.05444	5.5
179.05479	3.0
181.04927	2.9
181.44994	1.5
185.53743	1.4
190.02655	1.8
191.01802	2.0
191.03398	2.7
195.06569	3.1
201.09271	1.3
203.01590	3.0
203.03430	48.5
204.03706	3.2
205.04951	2.3
216.57970	1.4
221.04407	4.0
223.06035	2.8
225.12451	1.5
241.14388	2.5
243.13783	2.6
247.08191	8.8
261.14816	2.2
265.09277	100.0
266.09506	4.8
269.04489	2.8
271.13220	1.3
287.12933	6.0
289.14462	5.4
297.11722	1.9
305.13885	1.3
315.07220	79.0
316.07556	7.0
323.11185	2.7
337.07678	1.3
339.03448	2.6
339.07187	37.2
340.07288	1.7
349.16214	1.6
357.13647	1.5
383.06213	35.7
389.21466	1.8
395.13354	3.0
401.07248	15.3
407.13507	6.7
467.15356	2.2
491.18677	4.3
509.20105	9.7
510.19815	2.0
511.21774	4.4
553.22058	3.8
671.25592	13.5
672.25287	2.5
714.47479	23.9
715.25146	71.4
715.47028	60.7
716.25269	21.2
716.46582	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	714.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83274	0.3
54.09999	0.3
55.77168	0.2
59.01248	15.3
60.01584	1.0
61.01675	0.7
61.98700	100.0
69.87722	1.1
69.88137	0.5
80.56958	0.2
119.08571	0.7
120.08923	0.4
147.08061	6.4
147.09148	0.4
148.08434	2.5
315.24384	0.3
332.04672	0.3
431.90417	0.3
595.39874	2.0
596.40326	7.1
597.41107	1.0
605.41315	0.3
606.41272	0.4
653.44086	0.6
654.44342	2.5
655.45587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30795	0.4
59.01248	35.7
60.01580	3.1
61.00291	0.4
61.01678	1.9
61.98700	100.0
64.89468	0.4
68.17754	0.4
69.55992	3.0
70.54917	0.4
73.02802	0.4
74.50330	0.4
94.98181	0.4
147.08058	8.3
148.08386	2.4
344.56210	0.4
424.34210	0.4
524.37061	0.5
532.14874	0.5
595.39929	2.3
596.40363	8.8
597.41022	0.8
605.41644	0.6
606.41901	1.2
624.42590	0.5
653.43964	1.0
654.44061	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	714.422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75027	0.2
59.01246	8.6
60.01584	0.6
61.01674	0.4
61.98699	100.0
68.79073	0.2
71.00578	0.4
71.01228	0.2
119.08583	0.3
145.46713	0.2
147.08047	3.6
148.08401	1.5
151.24080	0.2
157.08630	0.6
201.11397	0.2
209.11842	0.3
253.21599	0.2
267.23395	0.4
268.23608	0.2
286.06915	0.2
304.31049	0.2
478.18655	0.2
595.39783	1.1
596.40485	3.7
597.41309	0.4
605.41064	0.4
606.41528	0.2
624.42950	0.3
644.42859	0.2
653.44202	0.6
654.43835	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	713.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	43.2
60.07705	11.9
61.98697	100.0
67.48939	10.8
71.52648	20.6
84.85491	10.8
96.95894	14.2
105.39707	13.8
121.02827	18.5
124.66387	11.2
125.09619	30.4
131.03593	17.5
144.04341	14.7
152.99455	14.6
154.64706	12.1
156.80154	11.1
188.15965	13.0
198.09073	13.5
201.11263	33.2
231.10342	18.5
239.96202	13.1
245.08009	12.8
265.07526	16.3
277.07669	19.5
277.21783	26.3
293.21118	18.9
307.08643	47.2
329.23392	11.8
345.13834	35.2
397.13419	37.3
405.16095	47.6
457.19275	18.3
499.49969	12.5
555.26422	17.2
593.27234	21.5
653.33826	46.6
713.35742	41.6
723.25012	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	713.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49975	0.8
59.01247	97.0
60.01564	1.2
61.98693	6.1
71.01243	1.0
71.09733	1.9
73.02801	1.0
74.66606	1.0
97.06456	1.6
106.04082	1.1
119.08552	10.9
121.10139	1.0
132.05682	1.7
143.03987	1.0
146.46333	0.9
147.08051	82.2
148.08353	4.1
149.09618	1.4
165.09076	1.5
277.21652	1.1
364.84549	0.9
368.14624	1.1
373.27502	1.1
388.50534	0.9
447.30820	1.4
565.38385	1.3
577.39142	1.1
589.60565	1.1
595.39984	100.0
596.40277	21.6
653.44208	23.6
653.55701	1.4
654.44385	4.9
673.69287	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
61.54725	6.7
61.98699	59.5
66.91643	7.0
71.01250	7.2
71.66391	6.7
79.95599	17.7
83.04889	6.3
91.59786	5.8
171.10204	13.2
175.03859	19.1
201.11267	9.2
209.11827	8.7
209.51820	6.4
245.08134	40.8
263.09247	17.4
271.09341	8.2
395.74231	6.2
472.01730	6.2
601.79999	7.0
615.75604	6.7
714.39172	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70274	7.4
59.01245	19.4
61.98703	57.4
66.59161	7.4
70.85667	13.6
70.85980	8.7
71.01257	14.2
73.26402	7.6
78.95766	9.4
84.80923	7.6
85.14840	7.2
87.00774	10.3
89.02317	17.4
96.95882	11.3
101.02322	11.6
127.34478	7.5
143.28528	8.5
158.94272	7.7
181.23172	8.5
191.19461	7.0
201.11179	10.7
208.03589	6.7
215.00429	7.4
235.08304	11.0
239.92212	6.9
277.21649	49.5
278.21954	8.6
297.35037	7.2
298.51584	7.8
397.13419	100.0
398.13840	18.1
415.14526	30.3
423.67175	8.2
470.02585	11.0
593.26862	9.5
675.33661	9.4
681.25415	19.0
713.33832	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67608	9.8
56.05079	8.9
59.01249	25.7
61.98706	100.0
71.01269	11.8
71.44432	10.9
74.41026	10.3
78.92693	8.7
79.95595	22.1
87.00742	14.3
89.02323	12.1
98.20571	11.6
121.76412	10.5
122.60928	10.4
147.90092	10.2
149.66920	12.1
157.12192	11.3
198.09221	19.0
245.08170	23.7
267.87299	10.5
293.21439	10.6
300.16095	13.4
335.09088	12.7
358.64142	10.1
432.49771	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	713.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29725	1.0
55.01739	0.9
57.03318	8.4
58.00462	0.9
59.01248	9.4
61.98677	1.4
65.00201	1.4
69.70762	5.5
71.01255	20.1
73.02808	4.0
83.01244	2.9
85.02818	12.9
86.35947	0.9
87.00758	1.4
89.02300	4.6
93.03323	6.0
94.45278	0.8
95.01273	1.1
96.95916	1.2
99.04388	5.9
101.02319	6.8
103.03889	34.2
106.04126	24.6
106.04700	0.5
106.04852	0.8
107.04906	12.7
108.02048	1.9
111.00748	2.0
113.02333	2.5
117.03357	2.9
119.01241	0.9
119.03463	1.3
119.04922	5.6
121.02829	2.3
121.06512	4.9
121.07233	0.9
123.04386	2.0
125.02345	2.3
131.03377	1.0
134.03592	1.4
135.08064	7.1
137.02324	1.5
138.03114	6.6
145.04892	1.0
146.07278	1.3
147.08084	9.3
149.02332	4.1
150.03128	1.9
151.00267	3.7
152.01093	1.5
157.04900	1.8
159.04413	1.1
159.08069	4.2
163.03920	2.4
169.06483	1.5
171.04401	1.5
182.02080	1.6
183.04422	6.2
183.07999	4.3
185.02441	1.3
185.06004	1.4
185.09749	1.0
197.15309	1.7
203.07097	1.1
210.39635	1.0
211.03926	6.1
213.05531	1.0
215.14349	77.7
216.14633	5.5
227.03442	8.8
227.07063	2.7
239.03442	1.4
239.10724	0.9
241.12276	12.4
241.14432	2.3
242.12761	1.1
244.70578	0.9
247.08202	1.7
255.02962	64.0
256.03372	4.3
257.04492	1.8
259.13370	50.8
260.13684	3.4
265.09250	5.6
273.14957	1.4
279.10608	1.2
283.02463	100.0
284.03009	18.8
285.04022	67.2
285.11078	10.1
286.04303	6.3
286.11545	1.5
289.14465	3.5
297.04010	1.4
301.14429	6.5
303.12332	5.4
327.05109	3.7
331.15729	2.2
345.13287	3.8
447.09308	39.3
448.09525	3.3
465.27097	1.1
475.06528	0.8
485.72736	1.0
489.10367	3.5
489.21304	1.1
507.22366	51.2
508.22650	7.1
533.20239	29.0
534.20746	3.3
550.11285	14.9
551.11847	31.0
551.21490	36.0
552.12292	5.7
552.21692	5.7
565.35278	1.1
593.22241	3.7
612.44843	0.9
713.16766	33.9
713.26788	50.0
714.15515	8.2
714.28528	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	713.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51816	0.6
57.03322	0.8
59.01248	22.4
61.98697	14.0
65.00206	1.0
65.88043	0.6
69.03311	0.8
69.03770	0.7
71.01261	5.1
72.99176	2.2
73.02828	1.5
75.00762	0.8
81.03307	1.1
83.01246	4.1
85.02830	2.4
87.00735	1.1
87.04366	0.9
89.02302	3.0
93.06654	0.8
95.01264	1.1
96.95891	2.0
101.02332	3.0
113.02331	4.2
119.03346	1.0
119.04922	0.9
121.02861	1.1
123.04399	3.4
124.01540	1.6
125.02336	1.4
137.02345	1.8
138.03091	1.1
148.79634	0.8
149.05896	0.9
151.00281	1.0
151.03877	0.9
152.64314	0.8
161.04559	1.5
164.04735	1.3
166.02602	6.7
169.01314	0.9
171.10185	3.7
175.03932	3.3
177.05472	1.0
177.12811	1.2
179.03424	15.1
180.04092	1.7
189.09109	1.2
191.03404	2.8
192.04158	2.1
203.03339	1.2
205.05063	1.0
219.06604	1.7
219.10193	1.0
219.13707	0.9
223.00098	0.8
225.11121	0.8
233.08121	1.1
245.08250	0.9
259.17001	7.9
261.14908	5.8
263.09198	3.2
285.14767	1.1
286.06995	0.8
303.15994	100.0
304.16339	9.2
305.17563	1.1
315.15674	1.0
327.15945	16.2
345.16989	3.2
349.16629	1.8
465.21246	27.6
466.21350	3.8
507.22281	17.5
508.22565	2.3
567.04980	0.8
611.25104	1.1
611.35327	2.5
651.31396	1.3
653.40698	2.4
669.40198	0.9
713.31433	2.9
713.42841	4.0
714.31476	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.6
61.98698	0.8
63.02271	0.4
65.00188	0.6
69.16879	2.1
69.17308	2.3
71.01237	1.9
73.02822	1.1
75.61082	0.4
75.87659	0.4
80.84016	0.3
83.01254	1.0
84.82144	0.4
85.02805	1.0
89.02321	0.9
93.03342	2.0
95.01270	0.5
101.02332	0.6
103.03899	0.9
107.01274	1.2
114.48992	0.4
117.03302	1.8
121.02838	0.7
125.02312	0.4
125.39408	0.4
129.85803	0.5
135.00749	0.7
143.04918	0.7
145.05084	0.4
149.02393	0.4
151.00293	2.5
153.01822	0.6
154.04103	0.6
155.04877	0.9
159.04395	1.0
167.04924	0.4
169.06477	1.0
171.04485	0.4
182.03665	0.6
183.04436	4.3
185.02365	0.7
185.05971	1.4
187.03888	0.6
189.05452	0.9
205.04979	0.4
211.03914	3.0
213.05505	1.0
215.03505	0.7
226.02521	0.6
227.03445	8.3
228.03867	0.6
229.04993	1.1
239.03435	1.0
241.04962	0.7
243.02893	0.9
255.02950	54.6
256.03427	3.7
257.04462	1.1
265.09143	0.6
267.03168	0.5
269.04416	1.2
282.01663	0.5
283.02454	100.0
284.03036	15.5
285.04013	64.0
286.04330	4.0
297.04016	0.8
309.04099	0.7
327.05045	2.3
345.13440	0.4
398.65536	0.5
447.09296	29.9
448.09726	3.2
448.14984	0.6
489.10342	2.8
550.11151	14.3
550.23358	0.7
551.11890	24.6
551.24945	0.9
552.12390	2.6
585.13751	0.4
713.17139	37.8
713.35571	2.1
714.17450	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	712.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25850	0.6
51.28963	0.6
54.80949	0.5
57.03326	3.1
59.01249	18.2
60.01591	0.7
61.98703	5.6
66.22728	0.6
71.01250	11.5
71.02374	0.9
72.99166	1.3
73.02822	4.2
73.03943	5.2
75.00739	0.9
83.01253	1.7
83.02381	1.9
84.00772	2.0
85.02828	3.8
85.03930	0.9
87.00741	1.7
87.28145	0.6
89.02312	3.6
89.43916	0.8
90.92070	0.6
93.03323	3.1
95.01262	1.0
95.02370	5.9
96.95876	1.1
98.19835	1.6
99.01869	5.3
101.02328	7.7
103.03893	1.3
107.04933	1.4
108.02041	1.2
109.02877	1.0
111.00733	0.8
111.01914	0.9
111.04337	0.7
112.05037	3.3
113.02314	4.6
113.03446	7.6
113.07090	12.1
114.05452	1.1
115.08651	1.5
116.92730	2.4
117.92734	1.1
118.92504	0.7
119.03379	2.1
119.04905	16.3
120.01171	1.4
121.02859	4.1
122.09652	1.4
125.02363	1.5
125.07072	0.9
130.06087	7.8
133.74731	0.6
134.03592	0.7
134.06052	0.8
135.04471	1.1
136.05202	1.0
137.02315	2.0
137.07106	7.3
137.09659	0.8
138.05516	0.9
140.23195	0.6
141.06590	5.3
146.02383	2.0
149.02324	2.6
149.09680	1.2
150.06712	1.4
151.00261	1.0
151.03897	1.6
151.05040	0.8
152.01091	1.1
153.01828	1.1
153.06575	2.2
153.09132	0.7
154.09595	0.6
156.04030	6.2
157.58644	0.6
161.04398	1.8
162.05511	2.0
163.07523	0.9
164.04659	1.1
165.03897	0.6
165.09129	1.4
167.11760	2.5
169.07202	3.6
170.09242	1.1
172.10886	1.3
177.10254	1.4
179.08144	1.0
181.04797	0.8
187.08282	4.4
194.12689	1.1
195.11275	6.5
195.13840	8.3
196.03633	1.5
198.08810	0.9
200.10866	0.6
202.04942	1.3
208.14450	2.1
210.08727	1.6
212.10280	1.0
212.13974	13.1
224.14058	0.8
236.10437	0.8
239.12823	2.5
240.13252	0.9
241.11948	1.6
241.14401	34.0
244.09628	0.9
251.15160	4.1
252.13455	1.8
265.09351	1.5
265.14398	6.8
265.16650	1.1
268.03885	1.2
269.04794	0.7
269.16138	12.9
283.06070	2.2
283.17712	1.2
285.11380	0.9
285.14798	1.6
287.04495	0.6
287.16556	1.0
291.14594	1.5
293.12476	2.3
303.12531	0.9
303.15936	2.7
309.15616	2.5
309.19070	1.3
322.18744	2.8
326.18295	1.2
366.17508	1.3
375.20395	6.0
383.20584	6.4
399.60718	0.8
445.20828	1.7
447.20297	1.4
465.21338	7.7
471.18658	1.1
472.21997	1.3
489.24719	4.6
490.24609	0.7
507.22394	24.0
509.19147	0.6
509.30554	0.8
521.45477	0.8
551.21411	2.3
562.29584	0.8
571.32495	1.5
628.43414	0.7
651.39703	1.3
652.39960	5.8
668.34100	100.0
669.24805	0.8
669.34296	18.2
670.40826	3.0
703.73212	0.7
712.24817	2.0
712.42670	1.1
713.28113	3.4
713.37524	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	711.432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.3
57.03312	2.8
59.01250	85.3
60.01587	2.1
61.98701	16.0
64.36186	0.8
65.00176	1.0
71.01252	24.6
72.99174	1.3
73.02818	8.0
77.82431	0.7
83.01254	3.9
83.35246	0.6
85.02351	1.2
85.02822	13.6
85.99969	0.8
87.00743	2.6
87.04399	1.4
89.02317	5.0
93.03350	0.8
95.01244	1.7
96.95881	1.9
97.02825	1.5
98.19685	1.3
99.00751	2.7
101.02319	18.0
101.05947	0.8
107.01224	0.8
113.02327	9.9
119.03381	1.4
119.04906	2.9
120.52524	0.8
121.02789	1.8
123.08014	0.8
125.02311	1.8
143.03394	1.3
151.00308	4.2
157.32932	0.7
159.02954	1.1
161.02374	1.0
161.04439	3.8
163.03941	1.1
165.05492	1.2
167.03397	1.0
175.00386	0.7
177.01855	1.0
190.02577	1.8
198.95247	0.8
201.01860	2.4
205.05035	1.3
209.11798	0.8
211.13524	0.9
223.06038	1.1
268.03815	2.2
269.04565	7.2
270.04913	0.9
271.06076	2.4
273.15048	0.8
315.07333	0.9
332.89786	0.8
377.30368	1.3
421.33273	1.0
435.34662	6.5
505.34824	1.0
593.36285	1.1
597.40247	2.7
651.23633	1.3
651.40881	5.8
667.37225	1.0
669.40881	1.5
681.38403	2.1
707.12341	0.9
711.32471	7.5
711.43268	100.0
712.32391	1.0
712.43616	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	711.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29846	1.5
57.13637	1.6
57.49714	1.5
59.01248	20.2
61.98697	19.6
71.01243	5.8
71.53472	2.9
72.09018	1.5
73.02819	11.2
73.75913	1.7
85.02821	8.1
87.04382	16.9
101.03895	2.1
147.04414	66.9
147.10707	1.6
148.04796	2.8
199.33801	1.5
199.96674	1.5
203.07018	1.6
235.31126	1.6
293.21072	2.0
337.59445	1.7
339.03363	1.5
503.31754	8.1
517.33344	4.5
529.33014	7.2
547.34277	44.4
548.34497	6.7
577.35278	100.0
578.35645	21.2
603.36945	18.3
604.37292	4.3
651.39038	35.4
652.39606	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	711.411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.6
58.00458	1.7
59.01252	14.7
60.58798	1.1
61.98700	7.8
64.32477	1.0
69.22652	11.6
71.01250	3.8
73.02818	8.5
85.02791	7.4
87.04386	25.9
99.04348	1.4
101.03799	2.7
102.87917	1.0
103.03858	1.5
117.98000	1.1
119.09238	1.0
124.16262	1.0
131.04941	1.8
147.04416	58.1
148.04753	2.3
503.31232	6.5
504.31940	1.3
517.32880	2.9
529.32953	7.1
530.33502	1.5
541.33032	1.5
547.34296	39.5
548.34723	7.7
577.35315	100.0
578.35571	24.6
603.36877	23.4
604.36841	5.8
651.39105	13.7
652.39142	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	711.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.4
57.03320	3.9
59.01248	93.9
60.01576	2.3
60.86447	1.2
61.98698	26.3
69.03325	1.3
69.30842	3.6
69.31261	8.7
71.01251	21.8
72.99189	3.6
73.02818	8.6
80.53723	1.3
83.01256	4.9
83.04868	1.5
85.02818	12.2
87.00742	3.1
87.04366	1.8
89.02312	10.3
93.03310	3.9
95.01219	1.9
96.95893	2.9
97.02828	1.9
101.02324	17.9
103.03889	2.6
107.04908	1.2
108.02065	2.3
109.02832	2.1
111.00735	2.4
111.04401	1.8
113.02344	10.2
113.05951	1.8
119.03378	4.4
119.04897	4.8
119.39088	1.2
121.02843	3.3
125.02270	1.7
125.09655	1.2
135.04472	1.7
136.01526	1.3
137.02388	2.5
143.03415	1.7
149.05994	6.0
150.06761	42.2
151.00273	2.4
152.01018	2.8
160.04001	1.6
161.04456	5.8
162.06686	1.8
163.03922	2.3
163.07550	8.7
164.08287	5.3
165.05443	1.6
171.10201	1.5
177.05531	2.2
178.09822	1.6
179.10689	12.9
181.05074	1.8
205.05078	1.8
223.06059	1.8
232.62949	1.3
241.14438	3.6
265.09229	1.5
268.03799	3.6
269.04453	5.2
270.04471	1.5
272.06314	1.3
279.23508	1.3
283.06033	1.7
284.03189	1.6
285.04010	2.4
299.05447	1.5
315.07047	2.0
327.21780	3.9
444.32208	1.9
446.30096	6.9
447.30695	1.8
461.32608	8.4
463.34482	1.8
488.31375	2.8
506.32455	3.9
507.33206	18.4
508.33749	2.6
538.53912	1.3
607.36761	1.6
633.37103	1.4
651.40277	9.2
667.36969	1.8
669.38098	1.6
711.39667	100.0
712.39764	22.5
719.59167	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	711.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64707	0.5
59.01247	100.0
60.01582	1.0
60.78434	0.5
69.03340	1.3
69.16500	6.8
71.00860	0.9
71.01250	13.4
73.02818	3.7
74.98933	0.6
81.97994	0.6
83.01273	1.7
85.02792	3.3
89.02321	1.4
97.02820	4.5
99.00761	1.4
101.02319	5.4
113.02351	2.8
115.03903	1.8
116.92736	0.7
125.02364	1.3
129.05431	0.7
129.60095	0.6
143.03375	0.9
160.03952	0.8
161.04456	3.3
179.05493	0.8
203.05528	12.2
247.11856	3.8
250.66296	0.9
259.08145	3.5
271.02405	3.6
289.13077	2.0
299.01941	8.0
300.02866	1.9
301.03717	3.3
301.09332	3.8
317.17496	0.6
320.46826	0.6
327.30466	0.7
329.70963	0.6
401.72879	0.8
413.63852	0.9
462.08249	1.3
463.09006	1.2
667.14941	8.9
668.16010	1.9
711.19983	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79278	0.2
53.02206	0.2
54.88048	0.3
55.01741	0.5
57.03313	0.6
57.61581	0.3
59.01245	100.0
60.01585	1.1
69.94297	1.2
71.01249	9.1
72.99170	0.5
73.02810	3.8
75.00732	0.3
81.87447	0.2
83.01249	1.7
84.27239	0.2
84.57088	0.2
85.02818	5.4
87.00771	0.4
89.02311	1.0
91.24721	0.3
95.01262	0.6
96.77264	0.2
97.02836	0.4
99.00719	1.3
99.92439	0.6
101.02313	8.3
105.91444	0.3
113.02329	4.0
116.92726	3.0
117.92711	0.3
121.02849	0.6
125.02342	0.4
127.73271	0.2
129.01839	0.2
143.03395	0.5
151.00357	0.3
159.02951	1.2
160.03972	0.5
161.04456	5.1
165.05467	0.5
167.03403	0.3
179.07013	0.3
190.02623	0.3
191.03537	0.4
205.05061	0.4
269.10287	10.2
270.10733	0.7
300.03040	0.4
311.11316	4.6
322.25256	0.3
621.18542	0.6
692.78302	0.3
742.16986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	14.4
60.82608	3.3
63.89686	2.9
71.01230	5.6
71.52950	5.1
85.02831	6.1
96.95890	3.0
97.03931	3.3
109.02850	4.0
116.92736	18.7
137.02353	4.5
148.88986	3.1
151.00258	7.3
164.06998	6.5
165.98936	5.7
194.91634	3.2
196.63866	3.6
199.03918	4.4
206.08136	6.1
211.62440	3.0
215.03476	7.5
227.03438	5.6
243.02960	6.5
255.02975	15.3
258.56659	3.5
271.02463	71.7
272.03024	7.8
283.02209	3.5
299.01953	100.0
299.05338	5.6
300.02631	36.0
301.03497	61.1
302.03882	3.9
353.06741	3.9
398.23270	3.2
445.07535	3.9
462.08136	16.6
463.08832	11.1
505.09799	58.2
506.10242	9.5
531.69653	3.1
593.15955	4.1
667.15161	80.7
668.15863	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1412
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
50.28661	0.3
59.01252	0.5
63.02269	0.5
65.00213	0.8
69.80403	0.6
69.80802	1.6
71.01261	0.4
73.28878	0.3
76.25978	0.3
83.01270	0.6
107.01281	1.9
109.02862	1.1
114.03819	0.3
121.02852	1.0
125.02333	0.3
133.02820	0.7
135.00729	0.5
147.00818	0.4
149.02318	0.5
151.00273	6.3
161.02348	0.5
163.00272	0.8
169.01292	0.7
171.04434	0.9
175.00267	1.0
175.03918	0.5
178.99802	1.3
183.04437	0.3
187.03963	0.6
193.12135	0.3
197.02339	0.3
198.03009	0.4
199.03944	3.2
201.01801	1.0
203.03377	0.8
211.03773	0.4
215.03362	2.0
216.89685	0.3
226.02701	1.1
227.03453	3.4
229.01442	0.3
242.02277	0.4
243.02942	5.5
244.03496	0.3
254.02180	0.9
255.02930	1.9
257.04388	0.4
257.42368	0.3
271.02460	62.3
272.02856	5.1
283.02448	0.5
285.04068	0.4
299.01941	100.0
300.02539	17.8
301.03491	34.4
302.03836	2.4
313.03427	1.0
325.03293	0.4
343.04541	0.9
394.07669	0.3
462.08002	17.4
463.08731	9.4
464.09317	0.8
505.09799	11.3
506.10175	0.9
547.11359	0.7
625.14539	1.8
667.15112	75.7
668.15363	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	710.3878
Annotation	Dianthin D
Peak:m/z	Relative Intensity
50.33905	0.2
51.38395	0.2
53.59955	0.2
56.82184	0.2
59.01251	2.8
59.57510	0.2
61.98704	3.2
66.03349	0.7
68.04921	0.7
71.01241	0.6
71.02382	2.7
73.02832	0.3
73.03940	7.5
80.04920	0.6
82.06481	1.3
83.02378	1.2
84.00758	0.7
84.08056	0.4
85.03930	0.7
87.05486	0.4
91.05432	0.3
92.04914	0.5
94.06488	0.4
95.01773	0.5
95.02386	7.5
96.04415	0.3
97.00310	0.6
97.03957	0.3
99.01875	7.3
101.02329	0.5
109.07563	0.4
111.01877	2.3
111.04240	0.5
112.05058	5.6
112.07561	0.4
113.03454	2.9
113.06305	0.4
113.07085	8.2
114.05500	1.5
116.04913	0.6
118.06501	0.4
119.04858	0.2
123.05506	0.4
124.03917	0.6
125.03436	0.4
125.07104	0.3
127.08642	0.6
128.04549	0.7
129.10219	2.0
130.06114	9.8
130.08627	0.5
131.04880	0.5
132.08067	0.4
136.03949	1.1
138.02982	0.6
138.09126	0.3
139.05019	1.4
139.08672	0.8
140.07062	3.8
146.06015	11.0
147.06329	0.4
147.09177	0.2
148.07553	0.4
152.07138	0.2
152.08232	0.3
153.06607	3.7
153.10217	0.3
155.08176	0.7
156.04044	3.6
163.08681	1.5
164.07138	0.3
164.14386	0.6
165.06610	1.2
166.09727	0.6
166.12236	0.5
167.04553	1.2
167.08150	1.4
168.06416	0.3
169.04802	0.3
170.05580	0.8
170.09280	6.7
175.08696	0.5
179.11845	0.2
181.09683	0.5
182.09306	0.6
184.10838	0.7
185.07143	2.1
186.05505	0.4
187.08704	0.4
189.06633	0.6
191.11844	0.3
192.07819	0.3
192.11337	0.4
193.09724	0.7
195.14990	0.3
197.16513	0.8
202.09766	0.5
203.08154	1.0
206.12903	1.0
206.14742	0.2
207.11276	0.3
207.15048	0.5
208.13190	1.2
209.10362	14.2
209.12865	10.3
210.08784	0.4
210.10561	0.5
210.12469	2.2
214.12282	0.7
216.13858	0.4
220.10870	1.5
225.16057	1.5
226.15562	0.4
227.11449	7.6
228.11708	0.3
231.14925	0.3
241.13324	0.3
242.11844	3.3
242.18588	0.4
243.12216	0.3
249.13564	0.3
250.11882	0.7
253.09369	0.5
255.14929	0.3
259.11960	1.2
259.14511	2.7
267.14627	1.4
276.17026	0.4
277.12878	0.4
299.15036	0.8
306.15646	0.9
308.19821	0.6
311.21295	1.8
316.11514	0.3
317.16183	0.4
324.16782	1.9
333.19421	0.4
354.21948	0.5
355.20389	0.3
372.23022	0.7
393.28482	0.4
416.01083	0.3
420.21890	0.3
453.21829	0.4
471.23694	1.3
476.28717	1.2
483.23502	0.3
488.35895	0.3
493.31558	0.7
505.31595	0.4
523.33197	1.3
526.30316	0.4
540.35693	0.3
543.33044	0.5
566.33160	0.6
583.35779	0.6
592.34967	0.3
680.37683	100.0
681.38000	20.0
692.37701	3.3
693.38300	0.5
710.38794	9.7
711.39185	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	709.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.3
58.00466	0.5
58.78093	0.5
59.01249	100.0
60.01587	1.1
61.98705	9.8
71.01250	22.1
71.52494	0.6
72.99184	1.7
73.02822	5.0
75.00743	0.7
75.49741	0.5
78.54453	0.5
78.95776	0.5
80.96374	0.8
83.01277	2.2
83.47608	0.4
85.02824	7.1
87.00753	1.7
87.04366	1.0
88.98679	0.8
89.02315	15.4
93.03408	0.6
95.01309	1.2
96.95886	1.3
97.06490	0.5
99.00774	1.2
99.04385	0.6
101.02325	13.4
103.17027	0.5
108.08585	0.5
111.00835	0.6
113.02325	10.9
116.92735	1.1
119.03400	7.4
119.04926	0.9
121.02855	1.0
122.22285	0.5
125.02284	0.6
125.05944	0.5
131.03442	1.5
143.03391	2.9
149.04489	1.2
150.06645	0.5
159.02962	0.9
161.04480	8.8
179.05519	10.4
179.06940	0.9
195.06635	0.6
212.21777	0.5
221.39153	0.4
451.32245	1.9
487.34616	1.6
591.35626	1.6
649.39557	28.7
650.40063	5.9
667.40814	1.1
709.41345	7.8
710.41943	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	709.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64119	0.6
59.01242	1.5
61.98706	3.4
63.96102	1.5
69.03327	0.9
70.84765	1.2
71.01247	11.2
73.02805	1.8
78.98460	7.6
79.95601	15.4
80.96385	94.3
81.03318	1.1
85.02824	3.2
87.00736	3.2
94.97953	21.0
96.95876	2.3
97.02818	1.6
101.02312	3.3
106.97958	4.6
109.86292	0.6
122.97471	5.1
125.02349	4.1
127.03896	1.2
134.97464	6.5
136.99019	2.5
146.97473	1.0
148.99054	7.8
152.98558	7.6
164.98535	16.2
171.10184	2.3
206.99576	3.2
214.04770	0.6
225.00691	25.1
226.01091	1.3
242.33806	0.7
255.23254	2.1
283.04971	0.8
358.41476	0.6
358.86456	0.7
453.14313	4.6
453.45453	0.6
537.27386	2.2
709.38336	100.0
710.38641	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	709.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	1.4
61.98701	0.6
63.96101	1.9
64.31103	0.6
69.03323	0.8
70.84755	1.5
71.01250	9.6
72.99169	0.6
73.02811	1.7
75.42942	0.5
78.98460	7.8
79.95602	13.6
80.96384	90.7
81.03308	1.0
82.20781	0.5
85.02821	3.8
87.00735	3.2
94.97957	20.3
95.01232	0.7
96.95882	1.4
97.02828	1.5
101.02313	2.6
106.21919	0.5
106.97967	3.9
122.97446	5.0
125.02325	2.3
127.03871	0.8
134.97476	4.7
136.99011	1.5
148.99049	6.0
152.98508	7.8
164.98535	12.5
171.10237	1.4
206.99620	2.3
225.00671	19.7
246.63272	0.6
255.23364	1.7
453.14435	3.3
521.42340	0.8
537.27240	2.0
692.23010	0.6
709.38306	100.0
710.38544	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	709.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63639	4.7
59.01243	97.1
61.98698	100.0
64.08834	5.1
69.96202	13.5
69.96606	15.2
71.01243	18.8
78.95787	6.4
83.04906	5.5
87.04364	10.2
95.63550	5.1
96.95856	9.4
98.20534	6.2
101.02351	7.2
109.06460	7.6
121.02798	8.1
140.01848	5.3
147.04370	7.4
161.04442	7.5
165.12790	7.6
171.10146	10.3
175.03940	29.1
177.01299	5.1
183.13808	39.0
197.11768	5.7
199.09679	18.5
199.48755	5.8
201.05518	36.7
201.11154	5.5
202.06299	12.3
205.05003	9.0
207.10114	9.8
209.11746	21.4
211.13313	79.0
227.03432	7.0
227.07011	8.0
227.12790	8.1
235.08208	6.0
237.44733	5.6
245.08177	38.9
263.09451	8.6
271.09695	27.7
347.14883	11.8
361.16626	7.3
375.17609	6.3
391.12094	7.7
460.83353	5.8
579.29657	15.3
589.24359	15.8
593.23621	13.5
611.30634	8.6
611.80542	5.6
612.13147	6.5
655.33167	7.0
677.29675	21.4
709.31958	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	709.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29823	0.5
55.00821	0.5
55.01765	0.7
55.09220	0.5
57.03324	5.8
58.00461	1.0
59.01247	49.9
60.01560	0.6
61.98705	3.8
71.01248	27.4
72.99169	1.7
73.02810	10.1
74.28758	0.6
78.62799	0.5
83.01243	4.0
85.02818	20.3
86.03134	0.6
87.00747	2.5
89.02310	10.7
93.03360	0.6
94.30857	0.6
95.01254	2.2
96.95878	0.8
97.02851	0.7
97.07566	0.5
98.19667	1.0
99.00738	1.6
101.02319	16.1
103.03883	34.0
108.02087	0.7
111.00728	0.6
113.02328	10.2
119.03384	3.7
119.04905	1.1
124.01585	0.9
125.02337	2.3
131.03387	0.7
137.02318	0.5
143.03326	1.4
151.00255	0.7
151.11206	0.8
157.04901	1.5
161.04460	2.7
169.12234	1.6
172.05199	1.1
179.05519	1.4
195.13844	5.4
213.11226	1.7
213.14897	2.2
241.14301	0.9
247.08177	2.4
265.09293	6.6
357.19104	5.6
358.19962	0.7
375.20212	8.9
376.20544	1.7
399.20282	2.8
417.21262	9.3
418.21503	1.1
441.20184	0.6
461.19873	0.8
487.32791	1.0
547.33044	0.9
621.35315	1.6
623.27887	1.0
649.37952	9.3
665.30176	100.0
666.30457	16.7
667.38873	5.1
709.28094	5.3
709.38934	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	709.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.5
59.01244	17.9
61.98702	2.4
66.27598	1.3
71.01248	8.2
73.02821	4.7
81.02097	1.6
82.02855	1.2
83.01250	2.8
85.02836	8.4
87.00767	2.1
88.94193	1.1
89.02333	3.6
90.03461	1.5
93.03342	5.6
94.02863	2.2
95.01253	1.7
96.61140	1.0
96.95894	2.8
99.00795	1.5
99.04392	1.5
101.02291	7.3
103.03901	6.1
108.02068	2.1
111.00779	2.8
112.23509	1.4
113.02326	4.4
119.04930	3.6
122.06026	5.1
124.03938	3.0
126.05528	2.4
135.04390	2.0
136.03922	1.4
137.02350	10.2
138.05534	1.5
139.10936	1.4
149.02370	2.5
150.05542	2.0
151.00276	2.4
152.07106	2.8
153.01863	2.1
156.06569	3.2
160.03934	4.0
161.04510	1.9
161.53761	1.4
162.05539	1.5
163.03920	3.9
168.06511	2.2
176.07155	2.8
179.03430	2.6
187.06377	1.3
190.02745	1.9
190.08672	2.0
191.05518	3.5
192.05975	1.4
193.05008	2.1
196.06139	3.5
204.06624	3.1
215.08241	3.6
218.08263	1.8
223.43370	1.4
227.08235	1.5
229.66357	1.4
241.14500	1.6
247.08209	1.3
253.13454	2.6
255.07736	1.6
259.07272	2.0
265.09378	3.8
267.11401	3.0
269.04620	1.5
271.02432	8.2
273.08835	3.0
283.10989	2.3
285.08960	3.1
295.10849	4.4
295.13980	1.6
296.11679	3.3
297.12408	5.7
299.02026	11.6
300.02737	1.9
301.03708	3.0
306.12604	1.4
307.10458	5.0
309.12152	2.0
322.15527	1.7
324.13651	1.8
334.15558	2.0
339.13470	2.5
345.06271	1.5
349.12131	1.5
350.11237	1.5
351.13705	2.4
366.14554	30.8
367.14877	3.4
374.11694	2.6
378.14618	17.6
379.14948	1.6
410.13660	4.2
422.13467	3.2
434.75195	1.4
440.14691	2.1
442.16599	2.1
454.16583	2.9
461.62103	1.3
472.17169	7.0
520.17896	1.7
528.20026	2.0
575.19098	2.6
649.25604	1.8
661.25275	2.5
677.24780	5.4
679.26953	3.7
691.26239	14.1
692.26770	1.9
709.27655	100.0
710.28058	20.6
711.98560	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	709.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90113	1.1
57.03280	1.2
59.01252	7.7
61.04037	1.0
61.40805	1.2
68.94137	1.5
70.52656	4.7
71.01257	9.4
73.02806	3.1
83.01237	2.0
85.02825	7.5
87.00758	2.8
89.02307	1.7
91.28660	1.3
93.03320	3.7
93.60038	1.4
95.01234	3.5
96.95851	1.5
98.20459	1.4
99.72468	1.2
101.02301	6.3
106.04128	7.6
107.04897	1.4
108.02052	71.6
109.02180	1.9
109.02847	34.8
111.00711	1.5
113.02295	5.6
119.04899	1.8
121.02799	2.2
122.05985	2.8
123.00696	2.0
123.04398	2.0
133.84352	1.2
135.04369	2.0
137.02303	1.5
138.03056	2.5
149.02316	3.9
151.03905	3.0
152.01053	94.7
153.01845	30.3
154.02190	1.3
161.02238	1.6
163.03873	2.8
167.03366	1.4
169.01265	1.8
175.11208	7.4
177.01715	1.4
187.11177	4.5
205.12282	6.8
249.11302	42.8
250.11656	2.3
255.02884	1.8
283.02466	3.0
288.93362	1.5
295.10773	1.4
297.08704	1.4
297.11935	1.9
298.09369	3.7
315.03915	1.9
315.07214	23.0
316.07327	1.6
335.12445	5.7
365.14850	2.2
393.15466	12.2
394.15582	2.0
404.16077	5.0
416.16138	2.0
434.17194	3.9
447.09351	1.7
452.18018	3.7
478.15649	3.9
496.17059	3.7
503.19177	4.0
510.18503	6.8
528.19922	8.4
547.18176	64.5
548.18512	8.5
589.19238	3.1
640.79761	1.5
659.23077	5.9
673.24579	1.6
677.24200	3.7
691.26428	3.8
709.23340	100.0
710.23663	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	708.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95168	0.1
57.19244	0.1
59.01249	0.4
60.04961	0.1
61.98699	100.0
62.98401	0.2
70.81422	0.2
72.27804	0.1
78.95789	0.3
83.04877	0.1
92.80094	0.1
113.63296	0.1
147.03096	0.1
152.99515	0.1
153.77177	0.1
161.02345	1.2
161.42039	0.1
175.03975	0.2
186.88371	0.1
194.42551	0.1
194.44350	0.1
201.05504	0.4
201.11356	0.2
206.02151	0.1
209.11867	0.2
211.13377	0.2
222.11221	0.1
245.08231	0.3
245.13803	0.1
277.21652	0.2
473.17737	0.1
510.44031	0.1
583.48138	0.1
645.30621	0.8
646.31036	0.3
709.39410	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79378	1.1
55.01757	2.6
55.94392	1.0
57.03317	3.7
59.01249	38.0
60.97403	8.4
61.34828	1.0
61.72997	0.9
61.98699	20.7
63.24462	1.0
67.01749	3.0
68.99672	1.9
69.03326	1.0
69.55133	3.8
69.55555	3.7
70.99474	4.4
71.01250	16.2
71.04895	1.1
72.97503	1.1
72.99180	4.5
73.01041	2.2
73.02814	4.6
75.00743	1.8
76.19585	1.1
81.03302	1.3
83.01263	2.8
83.04895	2.4
84.97414	4.0
85.02811	6.9
85.06456	2.1
86.98997	1.4
87.00753	2.3
89.02304	5.9
93.03345	2.1
96.95924	1.5
101.00543	20.4
101.02325	8.4
101.05957	72.0
102.06285	2.2
103.03871	2.0
106.04163	1.3
108.02086	1.6
109.06474	2.6
111.00771	3.4
113.02319	6.9
114.98488	2.5
117.03690	1.7
118.97982	1.3
119.04917	3.3
120.01128	3.8
120.99479	1.3
121.02850	3.8
125.02325	1.7
130.98036	1.0
131.37065	1.1
135.04462	1.9
137.02333	2.0
149.02370	2.4
151.00214	3.2
151.38255	1.0
152.01016	1.9
161.02200	1.2
161.04422	3.5
163.03905	2.7
164.04587	1.5
165.01791	1.2
171.10246	1.5
172.05217	2.3
175.00253	1.3
177.01756	1.2
179.05466	1.8
189.12671	1.2
190.02666	1.6
201.11214	2.9
205.04990	2.4
209.11768	3.8
210.12096	1.5
211.14851	1.4
214.97760	1.1
227.12793	1.6
229.15819	1.2
239.12737	2.0
239.94777	1.1
249.59109	1.3
260.92093	1.2
265.09390	1.7
267.17493	1.2
269.04501	2.7
292.04816	1.5
349.20142	2.4
366.65692	1.1
375.18051	1.8
393.19150	43.9
394.19199	5.0
415.21304	2.0
431.18909	21.8
432.19345	3.1
475.18008	2.1
477.24951	7.5
498.20563	1.6
499.27127	1.3
502.64694	1.1
503.24875	1.6
515.25916	3.6
533.25671	20.3
534.25739	2.6
543.26007	17.3
544.25885	2.5
545.31000	2.0
549.25006	2.2
577.24677	100.0
578.25122	15.3
586.30225	25.5
587.24567	22.7
588.25385	3.9
602.27924	2.3
646.26514	2.5
649.38416	1.9
664.17096	1.7
664.28009	34.6
665.27728	6.2
667.39301	1.5
708.37408	6.4
709.40253	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.4
57.03314	0.6
59.01250	100.0
60.01577	1.4
61.98704	5.2
67.97772	0.3
69.03342	0.3
69.23966	1.8
69.24390	1.0
71.01253	9.2
72.99184	0.3
73.02816	3.0
78.95798	1.0
83.01273	1.4
85.02821	4.2
87.00760	0.8
89.02346	1.0
95.01269	0.4
96.95878	0.4
99.00761	0.8
99.41677	0.3
101.02326	6.6
113.02332	3.6
125.02367	0.5
143.03427	0.9
152.99586	0.9
159.02908	0.6
161.04462	1.9
170.76920	0.3
211.13376	0.5
244.04135	0.3
275.67960	0.3
277.21997	0.3
315.04987	0.4
411.32834	0.8
423.33127	0.5
492.28455	0.3
539.37634	0.5
587.39447	4.9
587.48218	0.4
588.40216	0.7
595.29907	0.3
605.40515	15.8
606.40833	3.5
647.41650	20.0
648.42004	4.7
648.51813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94557	0.2
57.03303	0.3
59.01248	100.0
60.01569	1.3
61.98701	27.2
62.69017	0.3
69.22783	2.5
71.01254	2.9
73.02827	0.9
75.36632	0.3
78.95792	0.4
80.91470	0.2
83.01240	0.4
85.02816	1.4
88.93922	0.3
89.02309	0.3
96.95909	0.9
99.00759	0.4
101.02309	1.7
111.27953	0.2
112.72824	0.3
113.02345	1.1
161.04514	0.8
180.23001	0.2
304.25851	0.3
322.10803	0.4
347.35364	0.2
372.37399	0.3
384.03244	0.4
430.03033	0.3
435.23438	0.3
587.39142	1.5
605.40466	3.3
606.41016	0.7
647.41583	4.9
648.42328	1.0
726.31696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94814	1.2
59.01249	30.8
61.98703	4.0
71.01254	5.4
71.07727	2.8
73.02833	3.6
78.95775	3.3
80.79867	1.7
84.05917	1.4
85.02816	3.7
87.00767	7.9
89.02326	2.2
99.14734	1.4
101.02314	7.0
115.17728	1.6
119.03380	1.5
149.09613	2.1
152.99451	4.4
171.10159	1.8
211.13336	2.8
225.14865	5.6
277.21701	100.0
278.22107	7.9
279.23264	2.9
369.19208	4.2
387.20291	7.1
453.15213	1.6
471.16553	2.5
593.32233	1.7
597.41797	3.6
707.16791	1.6
707.36426	3.0
708.42834	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	707.402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.9
57.03325	1.6
58.00462	0.6
59.01249	100.0
60.01582	0.8
60.50155	0.4
61.98701	4.7
64.62818	0.4
69.03337	0.7
70.06362	1.6
71.01250	13.0
72.99175	1.0
73.02814	5.3
73.03189	0.4
75.00743	0.4
81.03343	0.4
83.01234	2.2
83.04876	0.4
85.02823	8.1
87.00774	1.7
87.04379	0.6
88.98692	0.6
89.02322	4.5
93.03371	0.6
95.01262	1.1
96.95928	1.0
97.02824	1.1
98.19855	0.4
99.00771	1.1
101.02317	7.1
103.03911	0.5
107.01247	0.4
109.06485	0.5
111.00813	0.7
111.08038	1.6
112.01575	0.5
113.02325	10.8
118.97964	0.6
119.03403	1.5
119.04927	1.2
121.02863	0.8
125.02356	1.5
135.04491	0.8
136.07608	0.6
137.02356	0.5
143.03444	1.1
149.02333	1.0
151.00299	0.7
159.02983	0.7
161.04453	4.8
163.03883	0.9
169.12256	1.1
171.10260	0.7
175.00124	0.4
179.05577	0.9
181.12254	0.6
183.13846	0.4
190.02704	0.8
197.11761	5.5
205.05042	0.7
209.11852	1.1
211.13396	1.4
241.14287	0.4
253.09383	0.6
263.20218	0.4
268.03891	0.4
269.04587	0.5
291.19666	2.4
309.20697	12.2
310.21024	1.0
369.10522	0.4
397.13293	1.9
415.14523	4.4
425.30621	0.4
429.30051	1.0
446.21173	0.4
485.32632	0.5
486.16559	0.5
503.33826	6.3
504.34259	0.9
538.36365	0.4
559.15356	0.4
573.36420	1.4
589.33923	0.9
597.24023	0.4
599.36340	0.6
604.37579	0.5
617.36890	1.2
628.57220	0.4
647.37964	27.0
648.38129	5.3
665.38757	1.9
707.39044	5.3
708.39154	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.3
57.03315	3.2
58.00459	2.4
59.01249	73.8
60.01582	1.2
61.98702	10.0
69.03323	2.2
69.89693	0.7
71.01253	31.2
71.04882	0.9
71.28542	0.7
71.52604	0.9
72.01556	0.9
72.99166	4.1
73.02813	6.7
74.98939	0.7
75.00727	1.3
81.03327	1.3
83.01263	5.1
83.04904	2.0
85.02824	11.0
87.00742	6.1
87.04388	0.9
88.98674	1.9
89.02312	21.1
93.03339	1.5
95.01269	2.1
96.95876	1.5
97.02812	4.1
99.00756	1.8
101.01704	1.4
101.02325	20.4
109.02908	1.0
109.06465	1.4
111.00759	1.2
111.04372	1.1
111.08028	10.1
113.02319	13.2
118.97992	1.7
119.03420	5.8
119.04886	5.2
120.01073	0.9
121.02835	2.7
123.04480	0.9
123.08090	0.8
125.02346	4.7
127.07531	1.7
131.03383	1.4
137.02336	0.8
139.07579	0.8
143.03374	3.2
149.02356	1.4
151.00316	1.3
151.03891	1.1
151.11162	1.5
152.01085	0.9
153.12614	0.8
160.04016	1.1
161.04449	6.6
163.03915	3.3
165.01826	1.0
165.12727	1.0
167.14258	1.0
169.12187	3.9
171.10147	1.9
174.03055	0.9
179.05510	4.9
181.12299	1.2
183.13838	1.3
190.02666	1.3
197.11763	45.0
198.12097	2.9
199.13332	2.8
201.11316	1.0
205.05058	1.1
207.10234	1.2
209.11746	2.1
211.13351	7.3
218.38564	0.7
227.12906	1.2
235.08221	3.7
241.14449	1.7
245.08195	6.7
253.09230	1.7
263.20218	3.0
265.18146	1.1
269.04584	1.4
291.19635	12.8
292.19955	1.2
305.08768	1.2
309.20697	100.0
310.21069	8.1
311.09479	0.8
341.26874	0.9
397.13474	18.9
398.13437	1.2
415.14548	34.3
416.14905	2.5
443.29385	0.9
503.32495	4.4
508.23196	0.9
513.34302	2.7
531.35297	1.4
545.33252	4.6
555.34888	0.8
573.36414	4.8
585.36481	1.8
604.37189	2.0
647.37958	8.5
665.38934	1.6
707.39709	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	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.3
57.03315	3.2
58.00459	2.4
59.01249	73.8
60.01582	1.2
61.98702	10.0
69.03323	2.2
69.89693	0.7
71.01253	31.2
71.04882	0.9
71.28542	0.7
71.52604	0.9
72.01556	0.9
72.99166	4.1
73.02813	6.7
74.98939	0.7
75.00727	1.3
81.03327	1.3
83.01263	5.1
83.04904	2.0
85.02824	11.0
87.00742	6.1
87.04388	0.9
88.98674	1.9
89.02312	21.1
93.03339	1.5
95.01269	2.1
96.95876	1.5
97.02812	4.1
99.00756	1.8
101.01704	1.4
101.02325	20.4
109.02908	1.0
109.06465	1.4
111.00759	1.2
111.04372	1.1
111.08028	10.1
113.02319	13.2
118.97992	1.7
119.03420	5.8
119.04886	5.2
120.01073	0.9
121.02835	2.7
123.04480	0.9
123.08090	0.8
125.02346	4.7
127.07531	1.7
131.03383	1.4
137.02336	0.8
139.07579	0.8
143.03374	3.2
149.02356	1.4
151.00316	1.3
151.03891	1.1
151.11162	1.5
152.01085	0.9
153.12614	0.8
160.04016	1.1
161.04449	6.6
163.03915	3.3
165.01826	1.0
165.12727	1.0
167.14258	1.0
169.12187	3.9
171.10147	1.9
174.03055	0.9
179.05510	4.9
181.12299	1.2
183.13838	1.3
190.02666	1.3
197.11763	45.0
198.12097	2.9
199.13332	2.8
201.11316	1.0
205.05058	1.1
207.10234	1.2
209.11746	2.1
211.13351	7.3
218.38564	0.7
227.12906	1.2
235.08221	3.7
241.14449	1.7
245.08195	6.7
253.09230	1.7
263.20218	3.0
265.18146	1.1
269.04584	1.4
291.19635	12.8
292.19955	1.2
305.08768	1.2
309.20697	100.0
310.21069	8.1
311.09479	0.8
341.26874	0.9
397.13474	18.9
398.13437	1.2
415.14548	34.3
416.14905	2.5
443.29385	0.9
503.32495	4.4
508.23196	0.9
513.34302	2.7
531.35297	1.4
545.33252	4.6
555.34888	0.8
573.36414	4.8
585.36481	1.8
604.37189	2.0
647.37958	8.5
665.38934	1.6
707.39709	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	707.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84453	1.0
57.03316	2.7
58.00465	2.0
59.01249	70.2
60.01601	1.2
60.97390	1.2
61.98698	9.8
68.99669	1.1
69.03336	2.4
71.01251	18.5
71.04866	0.9
71.10201	2.2
72.99183	2.2
73.02811	8.7
81.03313	1.2
83.01242	2.1
83.04896	3.6
84.02051	0.8
84.97404	1.1
85.02814	6.4
86.58454	1.0
87.00752	2.3
87.04384	1.0
89.02315	7.4
93.03335	1.8
95.01250	1.6
95.04900	2.2
96.95877	2.2
99.00736	1.8
101.00551	2.7
101.02324	9.1
101.05944	6.8
102.98457	1.3
107.01305	1.0
107.04906	1.7
108.02032	1.2
108.04432	1.0
109.02804	1.6
109.06471	1.7
111.00759	1.7
113.02350	6.4
113.05936	1.0
115.00171	0.9
117.05474	1.2
119.03391	3.0
119.04919	3.4
120.01139	1.6
121.02856	1.7
123.04352	1.4
126.98709	1.0
131.03369	1.5
133.06575	1.0
136.07561	2.7
143.03424	1.5
147.04456	1.0
149.02429	1.4
151.00278	2.4
152.01047	1.1
161.04424	2.8
163.03905	1.4
164.04457	1.4
165.05464	1.0
171.10168	3.5
181.05014	1.1
190.02629	2.6
190.04808	1.2
195.13829	1.1
201.11140	2.1
205.04897	2.3
209.11777	3.1
219.06590	1.3
223.06058	1.4
239.12794	1.9
240.37604	1.0
241.14465	1.9
245.15506	1.2
265.09158	2.0
269.04657	1.7
271.06116	1.1
285.04050	1.2
289.18066	2.3
297.22272	1.5
301.18219	1.3
303.19757	2.0
333.20639	3.0
335.12506	7.0
339.13593	1.3
345.06125	0.9
349.20059	1.2
357.24347	1.3
363.21838	9.1
364.22025	1.3
393.19235	13.1
393.23901	1.9
399.25421	1.1
415.21161	2.0
429.26422	6.6
431.18814	5.0
441.26160	1.6
459.20944	1.4
459.27417	3.5
460.19849	2.7
477.24957	2.0
501.27582	1.4
503.32492	2.0
519.29449	5.0
533.25806	3.2
543.25470	4.6
559.31885	1.3
561.30640	29.1
562.31097	5.5
577.16028	1.9
577.24670	12.7
577.33832	6.7
586.30310	4.8
587.24799	6.0
601.33972	3.1
619.34778	100.0
620.35156	17.4
647.37024	10.7
663.31464	1.6
664.27734	6.8
665.37256	7.8
666.37433	1.5
707.38208	2.8
708.35236	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42442	2.5
54.84414	2.6
57.03355	4.6
59.01251	80.7
61.02823	2.7
61.98716	3.4
71.01251	25.5
72.99183	4.6
73.02825	9.7
79.95583	3.4
80.04933	8.9
83.01241	4.9
85.02822	24.5
87.00780	3.0
89.02307	15.0
93.03324	8.0
94.02856	28.1
94.06539	4.0
96.95889	19.7
98.19767	5.8
99.00795	2.8
101.02332	21.0
103.03897	14.8
104.04917	3.8
106.06496	5.4
107.03691	8.2
108.02065	8.1
109.02863	6.1
111.00753	11.4
113.02323	15.3
114.60401	2.7
119.03390	4.9
119.04941	9.3
122.05998	47.1
125.02379	3.7
132.26509	3.2
134.05992	12.2
137.02362	10.2
138.05508	9.6
143.03363	4.6
145.02866	5.6
148.03981	5.4
150.05490	7.3
151.00363	3.6
151.03844	2.9
152.01041	5.9
152.07071	100.0
153.07391	4.6
157.50549	3.0
161.04485	5.6
163.03935	10.6
173.00911	3.7
173.04539	3.8
174.05568	4.7
180.06621	4.9
187.11281	3.3
187.21178	2.8
188.07155	4.3
191.05505	5.4
195.06532	3.8
201.10222	7.4
213.10306	6.2
223.13335	5.0
225.10294	4.5
227.11804	5.7
229.09746	10.5
229.13330	3.2
237.10385	4.8
239.11876	5.5
245.12866	7.7
253.09744	5.7
255.11388	9.5
257.13058	4.5
259.10751	3.8
265.09399	28.7
267.11340	3.7
269.04529	4.4
273.12451	4.4
278.06979	4.9
279.07715	7.5
279.11206	3.8
281.09238	3.8
285.04037	3.0
293.09332	18.8
294.10013	7.5
295.10846	16.9
301.11740	13.7
307.11050	5.3
309.12549	5.1
313.11917	8.8
319.12979	46.2
323.10272	3.8
337.08347	10.0
345.14651	3.5
355.13156	4.1
374.15106	10.4
391.15259	4.3
392.16162	12.8
416.15961	6.9
417.16885	6.1
419.18387	3.6
430.13870	3.9
432.19559	4.5
459.17834	5.6
460.18710	7.4
463.17441	6.8
476.18475	4.2
478.19897	5.6
499.25507	7.3
503.17331	4.6
504.17621	10.7
515.21265	26.1
517.26495	17.6
518.19238	12.0
518.26361	4.5
531.26038	3.7
539.22913	7.2
545.22174	6.3
550.21765	27.9
551.22229	5.1
557.23621	15.8
581.23920	7.5
583.21741	8.2
599.25098	47.2
600.25220	8.1
615.24249	13.4
617.24951	7.4
625.22900	9.1
631.27032	4.2
643.23932	59.9
644.24323	12.5
647.27026	12.7
657.25818	8.6
675.26727	75.5
676.26849	19.2
689.28900	15.5
707.30115	63.1
708.29462	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	13.0
67.57740	1.2
68.99634	1.1
69.18431	9.3
69.18841	3.9
71.01244	4.2
80.04914	8.2
82.02855	2.4
85.02816	1.9
94.02860	24.0
94.06503	2.0
101.02299	1.5
104.04941	3.8
106.06517	4.1
107.03640	5.3
108.04420	2.6
120.04460	1.6
122.06001	38.1
123.06332	1.4
124.03957	2.4
124.07578	1.8
130.06514	1.2
132.04474	2.5
134.06020	9.9
136.03954	4.1
136.07571	2.2
137.04736	1.5
138.05495	8.8
139.02682	1.2
146.05986	1.6
147.05510	3.2
148.03966	2.6
150.05484	10.4
152.07069	74.2
153.07413	2.7
160.03918	2.7
161.03391	1.4
162.32980	1.3
172.11252	1.6
174.05533	4.4
175.05037	1.7
180.06577	2.6
186.12770	2.1
188.07108	5.0
190.04999	2.7
191.03120	1.5
201.10294	9.4
211.08698	2.5
213.10332	5.9
215.11945	1.8
217.10025	1.5
223.08690	2.9
225.10226	3.2
226.11021	1.2
227.11848	5.3
229.09743	10.9
229.13367	4.1
237.10297	5.0
239.08211	1.7
239.11850	7.2
245.12930	11.5
247.10947	1.7
250.07426	1.9
251.08176	3.9
251.11798	1.6
253.04985	2.0
253.09727	4.0
255.11267	8.4
257.12933	4.6
259.10837	1.6
263.08160	2.8
265.09744	7.3
266.10416	2.6
267.11450	6.2
268.11942	1.4
273.12405	4.7
277.09741	2.9
278.06946	4.9
278.10516	4.1
279.07681	6.7
279.11331	3.6
281.09180	1.5
285.12476	1.7
289.11795	2.6
291.07776	1.3
292.08383	1.6
293.09320	16.9
294.10153	6.9
295.10931	12.2
296.11343	2.0
297.12451	1.9
301.11935	14.2
302.12207	1.6
305.09344	1.6
306.10104	2.7
307.10873	4.5
309.12442	5.7
311.10260	1.5
313.12082	6.3
319.12973	44.8
320.13361	5.1
323.10327	5.0
325.11969	3.7
327.13382	5.4
332.14017	2.0
337.08337	10.5
338.08716	2.4
339.09702	3.1
351.09982	2.1
355.13095	3.2
360.13446	1.4
374.14975	10.6
377.19943	1.4
384.13342	1.3
386.15186	2.1
388.16470	1.4
391.15622	3.3
392.16150	7.0
416.15918	5.7
417.16516	3.1
428.16125	1.8
432.19293	2.1
434.17172	5.1
446.16852	2.2
458.17148	1.6
459.18079	6.6
460.18542	5.0
461.19107	1.3
462.16632	2.4
463.17529	2.3
469.09506	1.2
474.20050	3.1
476.18063	3.2
503.17239	3.4
504.17709	12.8
505.17816	1.3
518.19250	13.1
519.19806	2.1
539.23010	6.6
550.21851	16.7
551.22211	3.4
557.24182	5.4
571.25208	2.6
581.23981	8.7
582.24463	1.7
583.21979	5.6
599.25031	40.2
600.25696	7.0
615.24463	7.6
625.23041	3.7
631.27441	6.0
632.27881	2.3
643.24036	43.0
644.24377	9.2
647.26990	3.0
657.25464	10.4
658.26013	1.9
663.25793	2.5
675.26666	100.0
676.26996	24.9
689.27728	3.2
707.29315	23.0
708.29712	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	707.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.6
57.03323	1.2
58.00456	0.8
59.01249	100.0
60.01580	1.0
61.98698	0.6
62.98584	0.3
67.01753	0.4
69.03335	0.9
70.24165	1.1
71.01250	31.2
72.01576	0.5
72.99181	1.9
73.02819	17.7
75.00750	0.7
81.03315	0.5
83.01257	6.1
85.02824	9.6
87.00744	2.2
89.02312	13.1
92.46323	0.3
93.03333	1.7
95.01257	2.4
96.95908	1.4
97.02847	0.8
99.00763	0.9
99.04401	0.5
101.02319	18.7
102.02706	0.6
108.02023	0.6
109.02832	0.5
111.00748	2.8
111.04391	0.4
113.01533	0.8
113.02324	16.8
114.02679	0.5
119.03373	4.6
119.04936	1.4
121.02855	0.5
125.02328	2.5
129.01816	0.6
131.03387	1.8
136.04843	0.3
137.02361	0.7
143.03416	3.2
145.02823	0.5
147.02972	0.5
148.04016	0.4
149.04489	1.7
151.03830	0.4
151.07758	0.4
152.01143	0.4
153.01878	0.3
154.99736	0.4
155.03419	1.0
160.04024	0.8
161.02434	0.4
161.04457	8.0
163.03908	0.5
173.00877	0.9
173.04451	2.6
177.01875	0.4
179.05519	3.0
182.07428	0.4
182.97166	0.3
187.02396	0.5
191.03693	0.5
191.05536	5.5
191.07112	0.5
197.09715	1.2
203.05627	1.1
205.03464	0.8
219.10281	0.4
221.06770	1.1
237.14955	0.6
241.08774	0.5
257.11804	0.4
269.04535	0.5
285.04025	0.6
301.03632	0.3
301.10907	1.3
315.07394	0.6
345.09946	1.0
355.21274	0.6
499.25452	7.5
500.26254	1.0
517.26453	19.4
518.26501	1.6
519.15283	1.9
535.27649	5.2
545.20819	0.5
547.57642	0.3
559.27502	9.4
560.28168	0.9
577.28595	9.2
577.37604	0.4
578.29144	1.0
619.30042	1.1
707.23724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44910	0.2
57.98214	0.2
59.01248	100.0
60.01584	0.7
61.98702	4.9
61.99015	0.4
69.20388	0.2
69.38437	0.6
69.38872	1.0
71.01261	0.8
73.02827	0.5
79.39411	0.2
80.96394	0.2
83.01292	0.2
85.02828	0.4
98.19747	0.4
99.00774	0.2
101.02303	0.9
113.02343	0.4
116.92751	0.7
122.91994	0.2
157.89264	0.2
158.52245	0.2
161.04478	0.3
163.00281	0.2
164.17603	0.2
239.63063	0.2
400.82990	0.2
498.63651	0.2
603.38928	0.9
645.40424	0.6
663.37256	0.2
705.40723	1.6
705.82599	0.2
706.41241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	50.4
60.33339	8.7
61.98687	39.7
70.12872	37.6
77.05410	9.5
82.49662	8.5
83.04847	8.8
92.33629	9.2
105.78345	7.5
105.84219	7.8
108.12527	9.6
124.82206	8.9
126.48898	8.3
132.63950	8.6
147.08014	12.0
176.38295	8.5
192.92168	9.0
209.11766	100.0
247.26926	8.5
277.21753	85.1
278.59879	8.6
334.76361	8.9
393.21313	9.9
634.06641	9.9
705.41486	28.5
706.41144	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	705.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.7
59.00954	0.5
59.01250	8.4
61.98704	3.7
62.40417	0.3
64.32130	0.2
69.03326	0.3
70.81403	0.2
70.81740	0.7
71.01247	2.8
71.04857	0.3
73.02822	1.4
79.05402	4.3
80.02541	0.4
83.01268	0.4
83.04887	0.8
85.02811	0.3
87.00824	0.2
89.02277	0.3
92.04923	0.6
93.03339	0.3
95.04895	0.3
97.06467	3.2
98.20486	0.3
101.02316	1.0
109.06516	0.5
111.08038	1.3
113.02302	0.6
125.09648	1.0
127.11095	0.3
128.17023	0.2
131.03625	0.7
132.04510	0.5
137.09587	0.2
143.03453	0.3
144.04466	0.5
146.83173	0.3
149.04504	0.4
149.09650	0.6
151.11176	3.5
153.09074	0.6
153.12758	0.3
155.07324	6.9
155.10689	0.7
156.07642	0.4
157.05269	0.9
158.05937	0.4
161.04456	0.4
163.11223	0.9
165.12758	4.7
167.10646	0.5
168.88882	0.2
169.12256	0.3
170.09659	2.0
171.10147	1.0
178.94521	0.2
179.10741	1.8
180.08125	7.1
181.08485	0.5
181.12267	6.0
182.06003	0.3
183.06831	1.3
185.11728	0.8
191.10683	3.1
191.14328	0.8
195.10243	0.3
196.07698	0.3
197.08380	0.4
198.09175	100.0
199.09508	6.1
203.73610	0.2
209.11768	20.2
210.12125	1.3
211.13306	1.1
213.56120	0.2
227.12794	0.6
239.09402	0.2
245.19055	3.5
246.19318	0.3
252.76552	0.2
263.20181	1.0
277.21603	0.3
279.19592	0.4
289.18073	4.0
290.18408	0.5
307.19107	10.3
308.19553	1.0
324.47723	0.2
339.25876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70039	1.2
55.32635	1.2
59.01248	100.0
61.98704	19.9
64.83762	1.1
67.01759	1.2
69.52752	9.5
71.01251	14.3
73.02807	2.9
80.45292	1.2
83.01255	3.4
85.02811	8.2
87.00732	2.7
89.02278	1.7
93.05204	1.4
96.95865	1.9
99.00751	2.5
101.02338	6.1
105.64845	1.3
113.02317	4.4
120.61395	1.2
161.04445	4.3
163.97105	1.3
169.12331	1.5
171.10204	1.8
209.11726	4.2
233.63968	1.5
427.32156	3.0
453.33929	2.0
571.36279	24.8
572.36493	5.4
589.37366	3.4
601.37244	2.6
615.36072	2.6
619.38232	2.4
631.38550	6.0
661.39600	8.4
705.37292	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	705.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82881	1.0
55.06547	1.2
57.06928	1.1
59.01257	6.0
60.24731	1.1
61.98676	2.6
63.97894	1.3
64.93025	1.3
71.01245	2.8
82.02863	1.3
85.02844	1.9
92.19276	1.2
93.03293	1.3
94.02856	13.0
94.06497	3.1
96.95879	3.7
107.03634	8.5
122.05999	39.7
123.06375	1.3
124.07574	1.7
134.05966	7.0
138.05479	4.3
139.02586	1.9
150.05536	1.8
152.07080	67.6
153.07358	2.8
235.08693	2.1
237.10268	3.2
249.10272	1.5
250.07390	4.8
251.07980	2.3
252.09050	1.7
263.08273	4.4
265.09790	12.0
267.11429	1.5
276.08893	1.6
277.09744	5.1
278.07019	8.5
279.07645	1.2
291.07623	2.9
293.09326	42.7
294.09689	3.5
305.09369	14.0
306.09940	3.0
307.10574	1.5
325.12216	1.5
337.08276	2.6
372.13327	1.7
384.13492	2.0
386.15155	2.3
414.14471	3.1
428.16406	2.3
429.16495	2.5
430.17737	6.3
432.15573	8.3
433.15656	1.8
444.15457	5.9
457.16370	2.2
458.17288	23.1
459.17325	3.1
464.18222	2.0
472.18738	3.4
484.15274	1.5
490.19675	5.1
502.09277	2.3
502.16153	32.8
503.16412	3.5
504.21658	6.2
505.21689	1.8
517.18713	9.7
534.18506	8.1
548.20038	3.7
549.21204	3.7
569.24207	2.2
597.23590	31.2
598.23859	6.2
629.26080	19.0
630.26178	3.5
641.22485	15.5
642.22870	2.2
661.28717	4.4
673.25128	100.0
674.25433	18.1
705.27618	21.4
706.27917	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	705.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.6
60.01545	0.2
61.98685	0.4
64.97977	0.2
69.35278	0.8
69.35705	1.1
71.01254	2.0
71.94756	0.2
72.59193	0.2
72.99191	0.4
73.02808	1.2
79.45771	0.2
83.01257	0.4
85.02815	0.8
87.00723	0.5
89.02323	1.1
93.03314	0.4
95.01249	0.3
96.95897	1.5
98.20523	0.3
99.00708	0.2
101.02322	1.4
103.03904	0.3
107.03637	0.3
108.04416	0.4
109.02855	0.3
110.41618	0.2
113.02312	0.9
119.04884	0.8
121.02846	0.5
122.02312	0.4
122.06002	1.8
123.03112	0.4
123.04401	0.3
124.01476	0.2
125.02327	0.4
134.05977	0.3
136.03957	0.3
137.02315	0.4
147.05496	0.3
149.02324	0.5
149.05820	0.2
150.05507	0.6
151.03922	0.2
152.07054	1.7
161.04449	0.3
186.09145	0.7
190.02583	0.4
190.05017	0.9
200.10667	0.3
201.06659	0.3
205.05023	0.3
213.06618	1.8
214.07393	2.6
214.08969	1.1
215.08145	1.5
216.08731	0.4
216.10472	0.5
218.08263	0.3
219.06621	0.2
223.06081	0.5
226.11044	0.2
227.08191	0.8
227.11763	1.7
228.09055	0.8
229.09749	7.5
230.10214	0.6
231.07602	0.6
231.11336	0.9
243.11340	12.0
244.08566	1.8
244.12112	5.5
245.09352	3.0
245.12045	0.3
246.09811	0.3
255.11353	3.6
256.11563	0.4
257.09296	27.1
258.09619	2.2
259.10849	10.2
260.11533	2.9
265.09396	0.8
271.10785	0.8
272.11642	13.5
273.12280	2.3
275.10370	12.1
276.10690	0.9
277.12033	0.5
287.10468	0.4
288.11127	0.5
289.11954	0.4
290.12708	9.4
291.13000	0.8
303.09930	0.9
316.10648	3.9
317.11090	0.4
325.11569	0.2
331.12946	5.5
332.13132	0.4
334.11700	6.2
335.12143	0.4
339.12225	0.3
349.14023	100.0
350.14322	8.4
355.12906	1.5
356.13644	0.3
357.14481	0.4
364.16888	0.4
380.56668	0.3
430.93600	0.2
541.26489	0.3
597.23645	1.3
598.23590	0.3
613.22675	0.3
629.26123	3.0
630.26257	0.4
641.22223	0.3
645.35083	0.6
661.01208	0.2
663.35913	0.5
673.25299	0.3
705.27472	0.8
719.74176	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.7
57.03303	4.2
57.95220	0.9
58.00460	2.6
59.01249	100.0
60.01564	1.7
61.98426	0.9
61.98700	8.5
67.01742	1.9
68.99684	9.2
69.03294	2.9
69.94447	4.7
71.01252	40.3
71.04857	0.9
72.99187	5.7
73.02443	1.4
73.02815	16.8
75.00721	4.3
76.71946	0.9
79.05382	1.7
79.86413	0.9
81.03335	5.5
81.17915	0.9
83.01254	11.5
83.04861	3.7
85.02821	14.5
85.99964	1.7
87.00751	35.6
89.02314	29.3
93.03314	2.8
95.01257	4.6
95.04914	4.8
96.95868	1.2
97.02834	8.5
97.06419	4.4
98.19872	1.5
99.00737	5.6
99.04379	1.6
101.02318	45.7
102.02568	0.9
105.07000	1.0
106.04089	2.0
107.04856	3.5
109.02835	2.4
109.06416	2.7
111.00742	2.5
111.04366	2.7
111.08000	1.8
113.01625	1.3
113.02328	16.9
115.03862	1.5
119.03387	9.1
119.04858	3.7
120.05700	1.6
121.02782	3.8
121.06480	19.4
122.03569	1.1
122.06744	1.0
123.04425	7.2
123.08006	2.0
125.01556	1.0
125.02332	9.7
125.05927	1.3
125.09626	5.6
125.99419	0.9
129.01819	1.1
129.06999	1.1
131.03360	1.4
131.04907	1.0
133.06499	1.4
134.03629	11.2
135.04410	2.1
135.07974	3.2
137.02391	1.2
137.05992	6.5
137.09624	4.8
139.03819	1.5
139.07521	1.2
141.01834	5.8
143.03326	4.1
143.04288	1.1
145.06490	1.7
147.04434	5.2
147.07971	2.0
148.05116	3.1
149.02348	1.6
149.05991	31.7
150.06197	1.5
151.03786	1.9
153.05472	1.1
159.08070	1.2
161.04379	6.6
161.05756	2.2
161.09671	1.4
163.07492	4.2
163.11214	6.4
165.05460	2.2
165.09053	2.3
165.12701	1.6
167.06996	1.0
167.10666	1.0
171.10123	3.0
173.09470	1.1
175.07497	2.0
176.44945	0.9
177.01822	2.2
177.12715	1.2
179.05507	6.9
179.06894	1.6
179.10643	1.0
181.04893	1.9
181.12170	2.8
182.05760	10.3
185.11758	6.1
189.05406	1.4
191.03445	9.1
191.06996	2.3
191.10684	1.8
191.14326	6.4
193.04861	3.6
197.11617	1.1
199.13228	1.2
203.06976	1.5
205.04900	1.1
205.12216	1.1
207.10248	6.7
209.09940	1.5
209.11755	20.2
211.13304	6.9
217.08778	1.2
219.06468	2.4
221.06436	1.4
225.11246	7.3
227.12737	2.8
233.08006	1.7
235.08197	5.2
237.11269	5.0
238.11781	1.3
243.10106	2.6
243.12364	1.5
245.19073	14.5
253.09126	3.6
259.09866	1.3
263.07535	1.5
263.20044	2.9
271.09659	1.6
271.17139	1.0
281.10803	1.1
281.13797	1.7
281.21283	1.2
287.07559	1.3
289.18082	60.4
290.18393	4.8
305.08633	1.4
306.14795	6.5
307.19125	65.5
308.19623	4.8
323.09436	1.8
386.12137	1.6
397.08447	1.8
397.13440	33.5
398.13748	2.2
399.18024	1.9
409.16299	2.3
411.13840	1.3
415.14606	28.6
415.20361	1.8
416.14960	1.2
425.15936	1.7
439.21136	1.3
443.16562	2.8
499.19659	1.2
501.14642	1.2
501.21292	19.9
501.32361	1.2
502.21213	3.3
539.12305	1.0
539.82471	1.0
573.23206	3.4
603.24054	2.4
607.25610	1.7
645.25006	2.8
645.35931	4.8
663.26147	2.9
673.34503	7.4
674.33771	1.5
687.30524	1.4
705.27258	85.3
706.27905	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	705.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21788	0.8
51.51240	0.9
59.01250	8.4
61.98690	1.3
63.02258	2.7
65.00194	9.2
69.18992	3.3
69.19413	6.0
71.01251	6.8
72.99180	1.2
73.02816	1.9
75.00735	6.8
83.01262	5.3
85.02824	4.2
89.02303	2.8
93.03339	2.6
95.01273	1.1
95.04911	0.9
96.95890	1.3
97.02868	0.9
100.00127	1.0
101.02328	2.7
104.90328	1.0
107.01263	15.9
108.02079	1.5
109.02844	1.1
111.00748	5.7
112.01099	0.8
113.02348	1.2
119.03419	0.7
119.04926	4.1
121.02847	2.0
123.04428	1.1
125.02341	3.0
129.01834	1.5
137.02307	1.4
148.71924	0.9
149.02344	2.2
151.00270	43.1
152.00819	1.9
160.04008	5.2
161.04436	1.6
161.23863	1.1
163.03943	2.9
163.99200	1.1
164.04518	1.1
165.00066	24.7
166.00383	1.2
169.01308	3.4
173.00858	0.8
179.03319	0.9
179.07100	0.9
179.98805	1.1
190.02531	1.0
191.01900	1.1
191.05548	1.9
205.03374	3.7
208.98965	1.0
219.05022	1.9
231.01134	1.0
237.06157	5.6
248.01515	1.1
255.02988	6.2
256.03662	1.2
257.04526	1.1
265.09311	1.1
273.02246	2.0
283.02454	6.2
284.03241	2.0
299.00186	1.8
303.02356	0.9
314.99664	2.6
316.00470	6.8
317.01208	23.0
318.01633	1.1
327.08710	6.6
328.08905	4.8
329.09238	2.1
366.08429	2.1
389.03467	1.6
437.68219	0.9
479.06839	1.8
529.75751	1.0
543.17242	1.6
625.12286	100.0
626.12567	13.0
705.08008	28.9
705.23993	4.8
706.08527	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	704.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98381	0.1
59.01247	6.6
60.01586	0.6
61.01682	0.1
61.98699	100.0
82.39590	0.1
98.19749	0.3
152.99417	0.1
160.32761	0.1
171.96527	0.1
212.11966	0.1
279.23285	0.2
433.94504	0.1
440.13504	0.1
441.13867	0.2
455.15436	0.2
482.15527	0.2
483.15271	0.8
484.15439	1.6
485.15933	0.1
497.16824	0.3
498.17017	0.5
499.18396	0.2
500.18634	0.3
542.16693	0.3
543.17023	0.4
556.18762	0.5
557.18707	1.3
558.19031	3.0
574.15424	0.5
575.15729	0.8
588.17407	0.2
589.17133	0.4
641.22443	0.1
643.22766	0.3
644.22589	1.4
703.24890	0.6
704.24622	4.6
705.24475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.7
61.98693	0.6
69.16524	0.3
69.71294	1.7
71.01251	0.9
72.99171	1.0
73.02824	0.4
74.55034	0.2
74.99001	0.3
79.25403	0.2
83.01259	0.5
85.02829	1.2
87.00766	0.3
89.02302	0.6
93.03339	0.9
96.95893	2.9
97.02861	0.5
101.02313	0.8
108.02081	0.3
111.00066	0.5
111.00762	5.2
112.01093	1.0
113.02360	0.4
116.04936	2.0
118.17078	0.4
119.04916	3.0
120.05296	0.9
123.04430	0.3
129.01924	0.4
137.02286	0.3
143.03442	0.4
152.01071	0.4
153.01692	0.3
154.99767	0.8
157.19110	0.3
159.03143	0.3
160.03949	100.0
161.04298	5.2
163.03920	1.7
164.04276	0.6
169.01353	1.2
173.00832	1.5
187.02379	0.3
202.05089	0.5
204.02960	4.5
205.03455	2.7
206.03867	1.0
228.02991	3.1
229.03447	0.3
237.09283	0.6
239.10632	0.3
265.09229	0.5
283.09854	0.7
284.10031	0.4
322.09344	0.6
327.08698	4.4
328.09036	5.2
329.09363	0.5
366.08267	36.8
367.08646	2.9
380.15421	0.3
390.08301	11.0
391.08508	1.4
394.35654	0.3
434.07370	1.4
457.17032	0.3
551.09198	0.3
704.18994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61304	23.8
59.01247	56.8
59.49865	25.0
61.98702	34.6
89.55499	25.0
171.10144	40.8
209.11774	87.5
210.12070	52.7
255.23250	100.0
256.23657	71.1
507.07379	29.1
515.90521	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.6
57.03319	2.9
59.01250	100.0
61.98705	11.3
65.00204	1.7
68.21331	1.0
69.03320	2.8
71.01251	36.3
71.52206	1.2
71.52643	1.1
72.99170	3.8
73.02814	10.2
75.00732	1.5
79.95630	1.3
80.96381	3.9
81.03311	1.3
83.01274	6.7
83.04907	2.4
85.02822	14.3
87.00751	5.4
87.04379	5.0
89.02319	13.0
93.03374	1.3
95.01219	1.4
95.04911	1.4
96.77565	1.2
96.95878	5.1
97.02803	1.7
97.06496	1.1
99.00740	4.2
99.04400	1.3
101.02326	23.6
101.05971	2.4
103.03865	3.6
107.04897	1.2
108.02088	1.5
111.00739	2.2
111.81475	1.1
113.02334	12.4
116.37617	1.1
119.03387	3.9
119.04884	4.0
121.02814	2.9
122.06030	1.2
123.04415	1.5
125.02346	3.0
127.03883	5.2
135.04443	1.2
137.05983	2.0
139.03850	1.9
139.07491	2.3
143.03374	2.5
149.02237	2.3
151.00313	1.4
152.01041	1.8
152.07069	1.7
160.03954	1.8
161.04463	3.6
163.03899	1.5
163.11298	1.4
165.01817	1.3
165.05490	1.2
190.02672	1.1
209.11723	2.4
223.06030	1.3
265.09277	6.4
269.04398	2.3
365.26953	4.5
415.16016	1.6
499.30270	1.6
509.31241	15.3
510.31747	1.9
527.32080	21.9
528.32642	2.5
539.32373	3.6
551.32288	13.4
552.32642	2.2
569.33264	82.8
570.33514	10.6
581.33167	8.8
592.28516	1.6
605.33649	2.1
639.24200	1.5
643.36963	1.7
650.81274	1.3
659.19159	4.3
659.38959	1.7
701.02661	1.5
703.39630	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	703.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.1
59.01248	38.7
61.98700	10.4
65.00193	1.4
66.39102	1.2
71.01250	19.9
72.99174	2.0
73.02821	4.5
83.01241	2.4
85.02820	9.7
87.00735	2.3
89.02314	7.8
92.34018	1.3
93.03336	3.4
94.02866	15.8
94.06499	6.0
95.01241	1.4
95.70975	1.3
96.95877	3.1
98.20601	2.1
99.00710	1.8
101.02312	9.6
103.03872	2.4
107.03661	3.6
108.02042	2.0
108.04453	2.3
109.02876	1.7
111.00748	3.2
113.02309	6.0
119.03394	3.9
119.04922	15.0
120.01172	1.6
120.04465	2.0
121.02842	3.0
122.06007	34.6
124.00627	1.4
133.59900	1.4
134.05942	3.0
137.02315	3.1
138.05493	4.6
139.02721	2.7
139.03923	2.7
147.04454	1.5
149.02365	3.8
150.05505	17.8
151.00206	2.9
152.01079	1.9
152.07082	35.9
160.03963	1.7
161.04523	3.3
163.03972	9.3
165.01814	1.7
170.48039	1.3
177.05565	1.4
179.06998	1.8
190.02631	2.1
195.13937	2.0
211.08722	2.0
231.73724	1.4
235.08641	4.3
237.10059	1.8
239.12965	1.9
247.08684	1.7
262.07486	2.8
263.08295	7.9
265.09439	8.0
269.04492	2.4
275.08154	3.4
277.09897	3.1
278.07034	4.7
279.07614	3.3
290.06863	1.8
291.07730	8.0
292.08182	1.6
293.09262	12.1
303.07629	1.7
304.08459	1.9
305.09338	4.6
315.10794	2.8
321.08530	1.8
353.12253	1.8
354.12445	5.9
355.13315	1.7
356.14200	1.9
367.13257	2.4
368.10223	4.0
368.14215	3.1
369.15182	2.2
370.11902	4.0
370.15863	2.9
372.13181	2.0
380.10266	2.0
382.11758	9.0
383.12476	4.8
384.13437	5.2
385.14359	1.8
394.11914	2.2
396.09299	3.3
396.13580	6.0
397.14417	9.3
398.15002	9.0
402.14484	2.3
404.49414	1.6
410.10934	7.8
411.11963	7.9
412.12619	3.5
414.14734	2.3
417.13327	1.8
424.13324	1.9
425.13120	2.0
426.14590	28.2
427.15112	6.2
428.16147	7.2
430.13852	6.6
431.14493	2.1
432.15701	4.4
455.14679	3.2
455.23016	1.7
456.15582	26.6
457.16132	5.4
458.17245	4.2
462.16623	4.2
471.17819	3.8
472.18857	2.5
488.18280	4.6
489.18915	1.6
500.14590	5.5
501.15283	2.5
502.19891	6.0
503.20459	2.5
505.19034	2.2
515.16785	3.1
516.17822	3.8
522.18915	1.8
523.20337	2.0
532.17242	3.3
533.18427	1.7
535.20020	2.3
536.20288	3.2
537.21466	4.8
546.18878	4.1
547.19788	5.6
548.20313	2.2
549.17230	2.4
550.18781	3.8
551.18964	1.8
565.20905	16.5
566.21667	4.4
567.22528	4.2
569.33490	1.7
580.18579	1.9
595.21985	100.0
596.22192	18.8
597.23480	14.0
598.24194	2.7
609.19653	2.1
627.24500	47.4
628.24609	10.6
629.26245	1.9
639.20734	9.1
640.21649	2.6
641.22186	5.8
659.27795	2.5
671.23553	55.9
672.24030	12.3
703.25519	15.5
704.25745	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	703.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	3.6
59.00957	1.6
59.01249	25.5
61.98706	7.3
65.00194	1.2
69.03331	1.2
71.01255	16.3
71.22399	2.4
72.99178	51.6
73.02807	4.9
83.01260	3.4
85.02808	9.8
87.00726	2.4
89.02312	7.4
92.18738	1.1
93.03321	1.7
94.97987	1.3
95.01233	1.7
95.04919	1.1
96.95883	4.6
99.00759	2.2
101.02323	9.0
101.88724	1.1
103.03876	7.0
107.04925	1.4
108.02064	2.1
109.02856	1.5
111.00745	2.2
113.02322	6.3
116.92737	1.6
117.03414	1.2
119.01296	1.4
119.03419	2.9
119.04936	4.4
119.08569	1.4
121.02806	5.2
122.03608	3.8
123.04429	6.6
124.01529	1.4
125.02300	2.4
130.92229	1.1
134.03622	4.1
135.04411	8.1
136.05031	1.1
137.02312	4.2
137.05978	1.9
143.03378	1.8
147.00851	1.6
147.04404	2.0
149.02338	12.0
149.05994	2.4
150.02994	1.4
151.00244	2.0
152.00995	1.5
160.04016	2.8
161.02298	2.6
161.04388	2.7
162.03137	2.9
163.03899	2.9
163.11221	2.5
164.04716	7.0
165.01810	1.5
165.09126	2.3
166.02609	6.1
167.03387	1.5
173.06007	6.6
173.09544	1.7
174.06625	2.9
175.00311	8.5
175.03802	1.4
175.07520	1.2
176.01021	4.0
179.05539	2.0
179.07132	1.3
183.10165	1.4
187.07600	7.2
188.08350	1.4
189.09073	1.8
190.02634	25.0
191.03375	5.9
201.09015	1.8
203.10876	1.7
205.04977	19.4
206.02113	3.8
207.10300	1.3
209.04361	1.4
214.06297	3.0
223.06042	5.9
243.13885	1.9
251.09142	4.0
255.13855	2.2
261.14783	4.0
265.09286	10.5
269.04364	1.5
273.14954	100.0
274.15399	9.3
279.81128	1.1
285.04071	2.3
289.14462	35.2
289.17746	1.7
290.14731	4.0
293.10208	6.6
315.16168	1.8
317.13901	62.0
318.14264	5.3
325.09271	3.4
331.15518	3.0
333.08173	1.4
335.11447	1.3
353.08850	7.4
359.15005	4.8
367.10297	10.2
368.10275	2.1
384.82156	1.1
395.13571	2.4
455.15436	1.8
469.66498	1.1
479.19714	1.6
523.18384	1.8
541.19214	17.4
542.19482	2.6
561.11969	1.4
595.22552	1.9
599.30481	5.3
617.31799	4.8
629.26154	4.2
630.26099	1.4
641.26300	1.7
643.23608	4.5
653.21973	1.7
685.25385	4.3
703.25903	75.5
704.26398	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	703.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66668	1.0
57.03306	2.8
59.00955	1.7
59.01245	28.9
59.13345	0.9
61.98690	6.7
65.00196	1.1
69.03307	1.5
69.52294	6.4
71.01250	17.6
71.04847	1.2
72.99176	61.9
73.02806	5.0
73.43032	0.9
74.02363	1.1
75.00762	1.2
81.03318	1.6
83.01253	4.0
83.04866	2.0
85.02813	11.0
87.00747	2.5
88.98645	1.5
89.02305	9.9
91.24469	0.8
93.03339	2.7
94.95438	0.9
95.01268	2.4
95.04906	1.5
95.69504	0.9
96.95868	3.5
97.02802	1.3
99.00747	1.9
101.02335	9.2
103.03886	7.4
107.01231	1.7
107.04956	1.1
108.02025	2.2
109.02814	2.7
111.00748	2.9
113.02301	7.3
117.03378	1.0
119.01253	1.5
119.03384	2.5
119.04889	4.0
119.08522	1.2
121.02092	0.9
121.02831	6.3
121.06429	1.3
122.03602	3.4
122.05969	1.4
123.04412	5.5
124.01530	1.1
125.02328	3.2
128.03456	0.9
134.03633	5.3
135.04402	8.8
137.02328	3.2
137.05977	1.9
137.09642	1.5
140.06342	0.9
143.03400	1.2
147.00824	1.2
147.04437	2.8
147.07973	0.9
148.05150	1.0
149.02335	12.4
149.05971	1.5
150.03094	3.7
150.06673	0.9
151.00259	1.6
151.03838	1.6
152.01010	2.7
152.07056	1.7
153.01775	1.7
159.04373	1.6
159.08075	1.0
160.03967	4.5
161.02304	5.1
161.04385	3.7
162.03143	4.8
163.03917	4.8
164.04713	5.0
165.01718	1.8
165.09087	1.4
166.02621	7.2
167.03400	2.4
173.00873	1.3
173.04568	1.3
173.05969	9.6
173.09586	1.2
174.06763	1.8
175.00272	11.5
175.03783	1.8
175.07664	1.1
176.00966	2.7
177.01831	1.8
177.09125	1.1
178.02589	1.8
179.03419	1.7
179.05576	1.0
179.07066	1.5
181.05029	1.0
187.07578	6.8
188.08319	2.6
189.05502	1.0
189.09087	1.4
190.02617	28.6
191.03297	5.0
203.07002	1.0
203.10741	1.4
205.04988	20.6
205.12167	0.8
206.02107	3.6
206.05800	1.6
207.10141	1.6
214.06288	2.4
221.08115	1.4
223.05980	5.7
231.10201	1.2
232.07176	0.9
241.09810	1.0
241.12242	2.2
241.14589	1.0
243.13857	3.1
251.09230	2.5
255.13879	1.8
261.14838	4.3
265.09323	11.4
269.04507	2.2
273.14935	100.0
274.15256	8.0
278.10977	1.0
283.02591	1.0
285.04031	2.1
287.12894	2.2
287.16507	1.2
289.14447	36.7
290.14789	4.9
293.10196	4.9
297.14914	1.2
303.15857	1.0
313.14313	1.0
315.15967	2.5
317.13898	65.4
318.14337	6.4
325.09198	2.6
327.08572	1.5
331.15436	3.7
333.08282	2.3
335.11279	1.4
353.08716	5.8
359.14978	4.9
360.15329	1.4
367.10312	9.3
368.10373	0.9
395.13376	1.9
409.76608	0.9
447.09616	1.1
449.18292	1.2
479.20901	1.6
523.18250	2.5
541.19275	13.5
542.19427	2.4
595.21899	1.4
599.30353	6.8
617.31689	4.0
627.24200	1.3
629.25964	6.6
630.26367	1.0
641.26459	1.4
643.23413	3.7
643.32996	1.4
653.22296	2.9
657.25659	1.0
671.23718	2.5
685.24890	4.9
703.25970	70.4
704.26215	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01156	0.6
54.53089	0.8
57.08512	0.7
59.01244	1.8
65.00194	1.7
67.01765	3.8
71.01261	0.8
72.99176	16.6
73.02811	4.9
76.30976	0.7
83.01249	4.0
85.02821	6.2
93.03304	4.1
97.02831	3.8
99.00773	2.1
99.04359	0.9
101.02303	2.2
111.00760	86.9
112.01067	2.9
115.03848	0.8
115.11154	0.7
119.04909	39.0
120.05247	1.4
121.02823	1.4
124.70824	0.8
129.01837	2.5
132.05701	0.8
137.02368	0.7
143.03381	6.9
143.04915	1.9
145.06479	1.3
154.99768	11.1
160.03943	3.9
163.03911	19.8
164.04309	0.8
169.01321	16.2
170.01489	0.9
173.00822	28.5
174.01128	0.9
187.02432	3.3
195.04427	1.4
197.06119	1.1
205.03462	70.0
206.03781	2.1
209.06076	0.9
211.07549	0.9
216.65446	0.8
223.07529	1.6
237.09190	7.8
238.09329	0.7
239.10732	5.0
265.08951	1.2
283.09772	11.9
284.09906	1.0
327.08716	100.0
328.09009	8.7
363.09091	0.9
366.08127	1.8
520.97400	0.9
703.01385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01052	0.1
59.01256	1.1
61.98703	100.0
62.98405	0.1
62.99121	0.1
71.01260	0.4
71.52734	0.2
78.90266	0.1
83.01257	0.1
85.02804	0.1
87.00742	0.1
89.02337	0.2
93.03364	0.2
93.89706	0.1
101.02337	0.1
104.57346	0.1
113.02313	0.2
115.88853	0.1
119.04914	0.2
121.02876	0.1
128.03416	0.1
131.24974	0.1
170.02153	0.1
197.11726	0.1
209.11829	0.1
211.13354	0.2
269.04544	0.1
285.07889	0.1
335.47836	0.1
339.58676	0.1
702.30273	0.3
703.36627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.8
65.00187	2.1
66.67734	0.3
67.01747	2.1
71.01257	0.5
71.25928	0.6
72.99174	2.3
73.02809	2.3
76.80875	0.3
82.96215	0.3
83.01262	0.6
85.02838	0.9
88.98666	0.4
93.03312	2.1
97.02821	4.0
99.04393	0.6
101.02315	0.7
108.02097	0.4
111.00759	21.5
112.01084	0.6
117.03327	0.6
119.04910	56.9
120.05267	2.0
121.02837	1.5
121.65118	0.3
129.01865	0.7
130.04193	0.3
132.05696	1.2
133.06421	0.4
136.98720	0.4
137.02347	0.4
143.03392	5.6
143.04916	0.8
145.06493	1.2
152.01132	0.4
154.99782	2.0
160.03929	1.0
163.03909	21.6
164.04251	0.8
169.01329	28.3
170.01680	0.8
173.00824	3.3
176.04735	1.0
177.05522	0.6
187.02400	3.1
187.03954	0.5
195.04474	0.7
195.08133	0.3
197.09488	0.4
205.03448	8.4
209.06142	0.5
211.07516	0.6
221.09642	0.5
223.07518	1.0
224.08308	0.7
235.07571	0.6
237.09184	5.7
238.09747	0.7
239.10799	3.7
245.33452	0.3
265.08688	0.8
283.09720	4.9
284.10199	0.6
309.07758	0.4
327.08710	100.0
328.09073	8.6
333.05862	0.7
366.08356	0.5
536.49902	0.4
541.22925	0.3
703.26855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20477	0.8
57.03320	3.9
57.03540	0.7
58.00440	1.0
59.01248	15.7
61.98681	4.5
71.01247	10.4
71.04874	1.0
71.52421	1.1
72.99164	1.4
73.02811	3.0
74.98943	0.9
75.00741	2.3
81.03340	0.9
83.01251	2.3
83.04889	2.7
85.02816	7.6
87.00739	3.9
88.98689	0.8
89.02325	7.1
93.03329	4.6
95.01266	1.7
95.04897	1.0
96.95882	3.0
97.02818	1.7
97.06469	5.1
99.00776	1.5
99.04381	1.6
101.02321	7.1
101.05991	1.0
103.03883	2.2
107.04898	2.4
108.02037	2.7
109.02782	0.9
109.06475	16.3
111.00757	2.4
111.04403	3.4
111.08044	2.0
113.02321	4.8
119.03423	1.8
119.04914	3.6
121.02857	1.7
123.04407	1.4
123.08034	7.5
125.02331	1.1
125.05966	1.2
125.09581	2.1
127.00201	0.7
127.07578	1.7
129.01842	1.3
135.04381	1.0
135.08052	15.1
136.01595	2.1
137.02309	5.3
138.06779	7.4
141.09087	1.7
143.03464	0.8
149.02370	2.5
149.05998	1.2
150.03079	0.9
150.06766	9.1
151.00183	0.7
151.03909	2.0
151.07549	1.3
152.01060	2.2
153.01825	1.6
153.05524	0.8
153.09117	36.2
154.09482	1.5
159.02911	1.0
160.03923	1.9
161.02345	1.5
161.04477	1.5
162.06802	1.0
163.03871	1.7
163.07552	6.3
164.04689	1.6
164.08186	1.1
165.05426	1.0
167.03421	1.2
177.01796	0.9
177.09106	0.8
179.03407	0.8
179.07011	0.9
179.10660	3.2
181.04984	0.9
187.09679	6.0
190.02631	4.3
191.01782	1.7
191.03371	1.2
199.09605	0.8
205.05032	3.5
217.10747	100.0
218.11104	4.2
223.06055	1.7
236.13754	0.7
241.14436	1.0
265.09256	2.8
269.04547	2.1
285.11465	0.8
289.14392	1.2
306.18381	1.8
315.07227	1.2
320.19852	8.0
321.20621	5.3
367.10324	2.3
451.15704	3.5
478.16974	1.0
494.20978	1.3
495.21277	3.2
520.30133	1.8
521.31171	4.5
538.31458	1.3
539.23151	1.4
589.21307	0.9
657.27130	1.9
683.36334	8.6
684.37012	1.8
701.26886	5.9
701.37585	84.1
702.27576	0.9
702.37994	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	701.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11725	1.2
59.01249	100.0
61.98681	3.4
70.81491	3.3
78.09604	1.2
106.07703	1.3
115.49338	1.1
121.02865	1.9
209.04517	1.4
209.11893	1.5
255.23247	2.2
288.76443	1.1
402.50595	1.5
408.93378	1.1
438.13339	6.2
452.14722	1.4
481.15109	48.3
482.15372	8.9
495.16806	13.6
496.17136	2.2
497.18359	5.3
514.14642	2.2
539.15656	2.4
540.16345	9.6
541.17035	3.0
554.18164	2.5
555.18805	74.3
556.19171	16.1
567.18591	3.6
572.15594	22.0
573.15540	4.0
586.17096	6.2
600.18323	1.6
641.22479	34.0
642.22784	7.5
701.24622	61.6
702.25134	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	701.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
60.01592	1.0
61.98707	0.9
68.33588	0.3
89.86908	0.3
130.64389	0.3
146.58380	0.3
147.15587	0.3
148.65781	0.3
159.45245	0.3
182.42235	0.3
336.54916	0.4
423.11420	0.4
437.12613	0.8
438.13318	3.7
439.13638	1.0
451.14163	0.8
452.14929	2.5
453.15451	1.0
455.10172	0.4
458.97952	0.3
466.12234	0.3
467.13599	1.0
469.11588	0.4
470.12088	0.7
480.14410	1.1
481.15097	31.7
482.15414	8.3
484.13547	0.4
495.16788	10.2
496.17194	2.7
497.18365	5.7
498.18494	0.7
509.14471	0.5
514.14874	3.0
515.15399	0.5
516.14978	0.3
523.15839	0.8
525.14142	1.2
528.16113	0.4
539.15582	1.6
540.16394	8.3
541.16888	1.4
551.19220	0.4
552.76489	0.3
553.17218	0.5
554.18127	2.9
555.18793	53.4
556.19000	10.3
567.18549	0.8
569.19928	0.5
572.15448	14.3
573.15564	2.7
586.16943	5.5
587.17255	1.1
600.18518	0.5
609.19623	1.5
610.19830	0.3
627.20923	1.2
635.46765	0.4
641.22467	27.0
642.22748	6.2
701.24603	60.9
702.24847	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	700.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.9
61.98700	1.9
69.03333	0.5
69.35442	1.7
71.01250	1.2
73.02820	0.5
79.95598	0.4
80.96380	1.4
83.01259	0.5
83.04902	0.3
85.02836	0.6
89.02315	0.4
93.03322	0.6
96.95844	0.4
101.02308	0.5
101.05954	0.3
101.71796	0.2
108.02024	0.2
113.02328	0.4
119.04964	0.3
120.03590	0.3
120.04439	6.5
121.02809	0.3
121.89034	0.2
125.02237	0.3
134.34308	0.2
137.02345	0.5
139.03835	0.3
141.75572	0.2
143.91196	0.2
151.11241	0.2
155.10670	0.3
160.07584	0.5
165.12772	0.3
167.10750	0.6
167.14296	0.7
174.09071	0.3
183.13824	6.8
184.14162	0.3
193.12250	1.6
193.37709	0.2
199.13310	0.7
205.05035	0.3
211.13335	100.0
212.13690	4.6
223.06010	0.3
225.00745	0.2
243.16029	0.8
281.12961	7.4
282.13367	0.5
295.14496	1.1
456.22903	17.0
457.23251	2.5
555.22742	0.4
635.90271	0.2
656.30920	0.4
700.31036	0.3
701.27673	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.9
61.98700	1.9
69.03333	0.5
69.35442	1.7
71.01250	1.2
73.02820	0.5
79.95598	0.4
80.96380	1.4
83.01259	0.5
83.04902	0.3
85.02836	0.6
89.02315	0.4
93.03322	0.6
96.95844	0.4
101.02308	0.5
101.05954	0.3
101.71796	0.2
108.02024	0.2
113.02328	0.4
119.04964	0.3
120.03590	0.3
120.04439	6.5
121.02809	0.3
121.89034	0.2
125.02237	0.3
134.34308	0.2
137.02345	0.5
139.03835	0.3
141.75572	0.2
143.91196	0.2
151.11241	0.2
155.10670	0.3
160.07584	0.5
165.12772	0.3
167.10750	0.6
167.14296	0.7
174.09071	0.3
183.13824	6.8
184.14162	0.3
193.12250	1.6
193.37709	0.2
199.13310	0.7
205.05035	0.3
211.13335	100.0
212.13690	4.6
223.06010	0.3
225.00745	0.2
243.16029	0.8
281.12961	7.4
282.13367	0.5
295.14496	1.1
456.22903	17.0
457.23251	2.5
555.22742	0.4
635.90271	0.2
656.30920	0.4
700.31036	0.3
701.27673	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.7
59.01247	15.6
61.98659	3.1
71.01249	23.5
72.99169	1.2
73.02823	6.3
73.88423	0.7
75.00720	1.7
83.01225	3.1
85.02822	8.4
87.00751	4.2
89.02301	5.1
93.03325	4.4
95.01292	0.8
95.04848	3.2
96.95818	0.8
97.02776	1.2
99.00741	3.7
100.46919	0.7
101.02317	8.3
103.03887	25.7
106.04116	15.2
107.04865	2.4
108.02007	2.1
108.03431	0.8
109.02788	2.0
111.00716	2.8
113.02328	5.2
119.03336	2.5
119.04868	2.7
121.02841	6.5
122.03477	1.1
123.04344	1.1
125.02304	2.0
131.03487	0.8
134.03593	1.7
135.86043	0.7
137.02386	1.4
137.05803	0.7
138.03102	5.7
141.01814	1.1
143.03294	1.3
143.04796	1.0
147.04408	1.0
147.08034	1.2
148.05151	2.9
149.02328	1.8
150.03085	1.2
151.00276	0.9
152.01016	1.2
153.01784	1.4
157.04973	1.7
157.06442	0.8
159.08060	4.1
159.09247	0.9
161.04407	1.4
161.09622	1.4
162.09908	1.0
163.03911	1.2
165.05540	0.8
166.02594	1.1
169.01297	1.1
173.09583	1.8
174.10101	0.8
175.11195	34.2
176.11508	2.4
180.04155	5.1
182.02081	1.3
183.08075	4.2
185.05949	2.2
187.07545	1.1
187.11151	1.5
190.09775	0.9
192.04147	0.9
197.09534	0.9
199.07457	1.5
201.09132	33.0
202.09331	1.7
203.07031	2.0
205.08609	1.2
216.07829	0.7
217.12215	4.2
218.52022	0.7
219.10191	7.7
227.06996	1.2
227.14240	1.5
228.10184	1.3
228.14647	0.8
229.08578	0.9
229.12300	0.8
231.10301	0.9
241.14407	1.8
243.10120	1.9
245.08124	21.0
245.15370	0.9
246.08598	1.3
246.11272	3.2
247.08133	2.5
254.08107	2.9
261.11276	4.5
265.09323	4.6
269.04373	1.3
271.13354	2.2
272.09265	9.8
272.13672	2.1
274.15244	1.4
281.08063	0.8
287.09161	1.3
289.14429	13.7
290.10281	29.1
290.14706	10.1
290.19302	0.8
291.10690	2.1
308.37854	0.8
314.10208	3.0
331.15372	1.5
332.11331	6.9
332.15485	1.5
379.00861	0.7
389.16049	0.7
392.13434	2.3
407.13251	1.0
411.16852	0.8
423.16507	1.9
433.18494	1.0
434.19083	1.5
451.19672	1.8
452.15289	2.2
452.20139	3.1
453.17615	5.9
467.19507	1.3
474.53613	0.8
475.16162	2.7
476.15466	0.9
493.21234	11.5
494.21124	34.2
495.21509	3.0
502.17117	3.0
520.18213	32.8
521.18213	3.9
538.19257	100.0
539.19550	9.9
565.19568	1.8
580.20221	5.1
700.24634	28.6
701.24640	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	699.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62228	0.8
57.03321	5.1
59.01249	21.8
71.01252	18.8
71.21857	0.9
72.99169	1.1
73.02808	1.4
75.86975	0.7
85.02348	1.4
85.02817	17.0
87.00751	1.3
89.02316	13.5
93.03332	3.5
98.20660	1.6
101.02320	8.6
103.03890	34.5
106.04130	9.7
107.04904	2.6
108.02019	0.8
113.02312	5.7
118.83886	0.8
119.03386	5.7
119.04873	1.3
121.02836	1.1
134.03494	0.9
138.03108	2.3
145.04977	1.1
149.02356	1.1
150.03098	1.4
151.82314	0.9
159.08041	2.6
161.09543	1.6
175.11206	1.8
178.18561	0.8
185.12991	0.8
192.35870	0.7
203.07008	2.2
215.14343	3.2
225.12686	1.4
227.14378	4.5
245.15350	5.5
247.08276	1.2
255.81232	1.0
265.09268	70.0
266.09589	2.9
271.13464	1.7
289.14441	42.1
290.14789	2.9
314.62561	0.9
331.15475	30.5
332.15753	3.0
361.16434	2.6
373.72189	0.9
391.17590	9.6
433.18521	1.4
457.86493	0.8
485.45853	1.0
489.36429	0.9
519.22235	14.6
520.22455	2.7
537.23364	100.0
538.23688	16.0
552.06323	0.9
591.35211	0.8
699.28644	81.6
700.29034	18.4
721.59540	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	5.1
58.00465	1.2
59.01248	26.6
61.98692	2.1
71.01250	19.4
71.29408	0.8
72.01596	0.5
72.99179	2.6
73.02810	2.0
75.00808	0.6
83.01262	1.4
85.02819	20.7
87.00755	1.1
89.02312	15.1
93.03336	4.1
95.01279	0.7
96.54163	0.6
96.95894	2.1
101.02317	12.9
103.03886	42.8
104.04217	0.7
106.04116	14.0
108.02068	0.8
111.00716	0.9
113.02323	7.5
117.05452	1.0
119.03387	7.1
119.04964	0.7
121.02831	2.1
123.04351	0.8
123.08060	4.4
124.25403	0.6
131.03336	0.6
134.03716	0.7
137.02301	0.7
138.03111	4.0
143.03456	0.9
145.04965	2.0
149.02359	6.3
150.03131	5.1
157.04964	1.3
157.06291	0.5
159.08038	0.8
161.04448	1.4
163.03918	1.2
164.04739	1.0
167.03438	1.4
172.08934	0.6
179.05478	2.0
182.02086	6.0
187.11186	13.9
188.11519	0.7
189.05510	1.3
190.06377	0.6
191.03458	0.8
205.05013	1.3
225.12785	1.1
227.14392	3.3
229.12268	6.1
231.10194	3.2
232.07512	0.8
245.15462	1.3
247.08211	1.2
265.09262	91.4
266.09595	6.3
271.13419	1.6
288.13739	0.6
289.14444	49.1
290.14691	3.7
291.10748	0.7
303.16016	2.5
304.16132	0.6
331.15485	28.6
332.15802	3.2
361.16519	3.0
391.17520	16.8
392.17953	2.1
433.18777	1.6
438.38528	0.7
489.19336	0.7
493.21027	0.8
511.21991	0.7
519.22308	13.1
520.22632	1.5
537.23376	100.0
538.23639	14.9
579.24530	1.0
619.55060	0.7
644.24658	1.1
699.28638	82.4
700.29022	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63331	0.5
55.01740	0.9
57.03316	3.7
57.51375	0.5
58.00452	1.8
59.01249	30.4
60.01571	0.7
61.98691	2.1
65.00179	1.1
71.01251	17.6
72.01585	0.5
72.99175	1.4
73.02804	2.1
83.01253	2.0
85.02821	19.3
86.03156	0.5
87.00764	2.1
89.02317	16.8
93.03332	5.2
95.01271	1.4
99.00777	0.6
101.01701	1.0
101.02324	13.6
103.03887	29.3
104.61548	0.6
106.04118	4.9
107.01260	1.9
107.04923	0.8
108.02034	1.0
113.02336	7.4
117.03331	0.9
119.03413	6.3
119.04906	3.8
121.02853	1.8
121.73425	0.5
125.02345	2.1
131.03365	0.9
137.02350	4.3
138.03131	0.8
142.61110	0.7
143.03400	0.6
145.02855	2.1
145.04918	1.0
146.07211	0.6
149.02296	1.3
150.03078	1.6
151.00291	6.7
159.08057	4.9
161.04434	1.0
165.01901	0.6
177.01801	0.5
179.05553	1.2
182.02139	1.6
188.87973	0.5
190.02386	0.5
199.86743	0.5
203.07025	1.4
205.04999	0.5
215.14307	0.7
225.12764	0.6
227.14473	2.6
229.15921	1.8
245.15405	3.6
265.09274	41.5
266.09644	2.3
271.06119	3.3
271.10669	0.6
271.13391	2.3
273.14899	3.3
287.13278	0.8
289.14420	2.3
313.14401	0.6
315.15918	1.4
331.15692	0.7
395.43533	0.5
405.97360	0.7
407.20761	2.3
433.18549	4.8
434.18744	0.7
441.20187	0.7
451.19696	12.0
452.20078	2.0
493.20758	13.2
494.21201	2.1
523.21790	1.3
553.14838	0.7
553.22595	2.0
681.28217	0.8
699.19739	4.5
699.28717	100.0
700.19641	0.7
700.28992	19.9
700.41211	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73050	0.8
57.03313	4.3
58.00446	0.9
59.01247	18.4
71.01251	14.9
72.99179	0.8
78.02073	0.7
83.01242	1.4
85.02822	15.3
87.00727	1.0
88.98686	1.3
89.02312	13.4
92.94827	0.7
93.03336	3.8
101.02313	10.4
103.03886	38.3
106.04115	7.6
107.04930	1.8
113.02344	6.3
119.03374	5.2
119.04922	1.2
138.03148	1.9
143.03378	0.9
145.05023	1.4
150.03027	0.9
153.98196	0.7
159.08081	2.2
161.04521	1.0
161.09610	1.0
163.03874	0.8
175.11189	1.9
179.05508	1.1
182.02193	0.9
203.07085	1.5
215.14384	2.8
223.54688	0.7
225.12762	1.9
227.14304	5.6
245.15431	3.9
265.09259	74.6
266.09534	5.1
271.13321	1.6
289.14447	47.2
290.14850	4.8
303.16071	1.4
331.15500	29.4
332.15842	3.1
361.16458	2.6
391.17636	11.4
433.18784	1.5
519.22253	13.0
520.22571	1.7
537.23383	100.0
538.23700	18.9
699.28644	71.8
699.41394	1.8
700.28992	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	699.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
58.00453	1.1
59.00958	1.5
59.01247	25.0
61.98699	0.8
69.03312	0.7
69.31199	3.8
69.31623	2.7
71.01253	15.2
72.01630	0.7
72.99168	2.0
73.02814	8.0
76.77825	0.6
81.45512	0.6
83.01258	4.2
85.02824	4.6
87.00732	1.4
89.02314	9.6
91.29914	0.6
93.03324	2.3
95.01254	1.1
101.02325	10.9
103.03887	2.5
106.04135	5.1
107.04890	1.3
113.02337	5.2
119.03412	3.3
119.04922	1.5
121.02837	1.0
125.02274	0.8
138.03069	1.3
159.08066	2.3
175.11206	0.8
182.02144	1.3
203.07071	1.2
215.14352	1.0
225.12901	0.8
227.14461	4.4
228.14622	0.8
229.15898	3.5
245.15442	6.1
265.09180	4.9
271.13391	6.3
273.14868	5.7
274.15002	0.8
289.14453	2.5
313.14243	1.2
315.16071	1.0
338.18945	0.7
389.19635	0.7
407.20554	4.6
433.18668	9.4
434.19052	1.8
451.19705	100.0
452.20093	13.5
475.19928	1.3
493.20804	20.3
494.21198	2.8
595.23572	1.6
655.25873	10.1
656.26086	2.0
699.28680	11.6
700.28699	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.0
58.50337	0.7
59.01254	22.0
61.98703	3.9
69.03342	0.8
69.29958	4.2
69.30372	3.0
71.01255	14.7
72.99172	1.0
73.02815	19.5
80.40646	0.7
80.84939	0.7
83.01243	5.3
85.02811	3.1
89.02341	1.9
93.03320	1.5
95.01255	0.8
96.95837	0.9
99.00768	0.9
101.02316	8.9
101.05939	1.1
108.01984	1.0
111.00819	0.9
113.02352	4.9
118.81632	0.8
121.02850	2.4
122.02722	1.1
122.03613	22.2
123.04457	1.2
124.01532	3.1
124.69676	0.7
135.04399	1.6
136.01547	7.5
147.08052	1.1
157.06541	1.4
159.04456	1.6
161.05927	0.8
162.06743	1.3
163.07402	0.9
166.02669	0.8
173.06021	1.3
175.07538	10.1
176.08183	0.7
177.09129	2.3
179.03328	1.0
185.10452	0.8
219.06532	4.1
220.07265	1.7
243.13840	1.7
245.15428	42.8
246.15770	3.3
257.15533	1.4
273.14871	1.4
287.16528	1.2
288.13617	1.4
289.14444	100.0
290.14777	8.2
303.16043	1.9
329.64404	0.8
331.15475	19.8
332.15796	1.6
373.16550	2.0
397.42194	0.8
433.18610	3.2
451.19690	29.6
452.20013	2.9
493.20767	89.5
494.21210	12.3
495.21539	1.9
655.26019	75.2
656.26300	12.8
699.28735	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	699.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07119	1.3
51.71045	1.1
57.03318	1.2
59.01250	29.5
69.34654	8.6
69.35083	2.4
71.01250	20.6
72.99168	1.6
73.02810	16.1
75.00729	1.5
83.01253	5.2
85.02827	6.8
89.02303	8.8
93.03342	4.3
95.53593	1.2
97.02789	1.1
101.02308	13.1
103.03900	1.7
106.04116	10.8
107.04905	5.1
108.02001	2.5
109.02843	1.2
113.02325	5.9
115.23151	1.2
119.03363	2.9
119.04945	2.7
121.02827	2.2
125.02402	1.3
137.02319	2.1
138.03085	2.8
147.08000	1.6
150.03142	1.7
152.01035	1.9
159.08037	2.3
160.45024	1.2
161.04323	2.0
167.03444	1.4
175.11188	2.5
182.02107	2.2
195.13806	2.7
215.14392	3.9
222.14027	1.1
225.12900	1.5
227.14394	9.6
228.14561	1.2
229.15854	2.6
241.14459	12.7
245.15398	6.7
254.69650	1.2
265.14459	1.4
267.10263	1.4
271.13388	7.0
273.14871	4.6
283.15601	1.2
284.03119	1.2
289.14453	92.3
290.14807	9.3
303.15955	3.6
331.15558	10.4
361.16721	1.9
391.17657	1.4
407.20654	2.8
433.18597	4.9
451.19714	31.5
452.20020	3.6
467.95819	1.3
493.20773	100.0
494.21237	12.9
520.21625	1.4
537.74890	1.2
538.22693	2.1
699.29773	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07119	1.3
51.71045	1.1
57.03318	1.2
59.01250	29.5
69.34654	8.6
69.35083	2.4
71.01250	20.6
72.99168	1.6
73.02810	16.1
75.00729	1.5
83.01253	5.2
85.02827	6.8
89.02303	8.8
93.03342	4.3
95.53593	1.2
97.02789	1.1
101.02308	13.1
103.03900	1.7
106.04116	10.8
107.04905	5.1
108.02001	2.5
109.02843	1.2
113.02325	5.9
115.23151	1.2
119.03363	2.9
119.04945	2.7
121.02827	2.2
125.02402	1.3
137.02319	2.1
138.03085	2.8
147.08000	1.6
150.03142	1.7
152.01035	1.9
159.08037	2.3
160.45024	1.2
161.04323	2.0
167.03444	1.4
175.11188	2.5
182.02107	2.2
195.13806	2.7
215.14392	3.9
222.14027	1.1
225.12900	1.5
227.14394	9.6
228.14561	1.2
229.15854	2.6
241.14459	12.7
245.15398	6.7
254.69650	1.2
265.14459	1.4
267.10263	1.4
271.13388	7.0
273.14871	4.6
283.15601	1.2
284.03119	1.2
289.14453	92.3
290.14807	9.3
303.15955	3.6
331.15558	10.4
361.16721	1.9
391.17657	1.4
407.20654	2.8
433.18597	4.9
451.19714	31.5
452.20020	3.6
467.95819	1.3
493.20773	100.0
494.21237	12.9
520.21625	1.4
537.74890	1.2
538.22693	2.1
699.29773	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	698.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20340	0.3
59.01245	7.4
60.01578	1.0
61.01679	0.5
61.98701	100.0
70.04715	0.3
99.75697	0.3
131.03719	0.3
134.27263	0.4
141.98915	0.4
144.67220	0.4
147.04419	1.8
148.04752	1.1
149.04979	0.5
176.04758	0.4
183.14026	0.4
201.11328	1.1
209.11790	1.2
253.21703	1.9
277.21768	1.6
278.22131	1.1
505.32648	0.4
577.35162	0.4
578.36255	1.4
579.36072	3.0
580.36224	6.0
637.40607	0.7
638.40527	3.0
681.61658	0.5
698.36670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34606	0.5
58.00459	0.7
59.01247	7.8
60.01593	0.6
61.98700	100.0
68.06999	0.5
71.01273	0.9
71.52685	0.7
78.95770	0.5
79.95615	0.8
80.98730	0.5
89.02284	0.7
92.64508	0.5
101.02287	0.7
111.33081	0.5
127.11241	0.8
137.09662	0.9
141.39455	0.5
143.49394	0.6
147.04431	1.4
148.04791	1.0
149.04994	0.5
153.29004	0.5
200.38905	0.6
201.11256	16.1
202.11601	5.4
234.46376	0.6
253.09378	2.2
254.09708	0.9
277.21725	5.5
278.22018	5.3
311.22296	1.2
392.01236	0.6
414.50797	0.8
578.35522	0.8
579.36255	2.3
580.36017	4.7
638.40314	2.7
645.07617	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.0
57.03325	1.8
58.00467	0.8
58.04485	0.3
59.01248	41.9
60.01571	0.7
61.98699	2.4
68.99696	0.6
69.03338	0.9
71.01250	20.2
72.01605	0.4
72.99167	2.3
73.02818	13.8
75.00745	0.9
77.04178	0.3
78.20294	0.3
81.03346	0.5
82.00256	0.3
83.01256	4.9
83.04913	0.6
84.02097	0.3
85.02818	8.6
85.99995	0.4
87.00757	1.9
87.04439	0.3
88.82355	0.3
89.02309	6.0
92.43202	0.3
93.03339	2.3
95.01250	1.6
97.02830	0.6
99.00767	1.9
99.92423	0.3
101.02319	14.6
102.02652	0.3
103.03885	0.6
106.04125	3.4
107.04926	1.0
108.02068	0.5
109.02830	0.4
111.00776	0.7
113.02322	8.3
113.03055	0.5
118.15625	0.3
119.03381	2.2
119.04935	0.8
121.02809	0.8
125.02354	1.1
131.03418	0.7
135.04465	0.4
137.02339	1.0
138.03139	1.0
143.03421	0.5
143.04959	0.3
145.06462	0.3
147.04483	0.3
149.02271	0.6
150.03142	1.0
151.00284	0.6
151.11241	0.5
152.01039	0.5
159.08034	3.4
161.04465	0.6
161.09695	0.4
163.03944	0.5
166.02689	0.9
175.11238	0.6
176.60707	0.3
181.05077	0.9
182.02177	0.9
187.03885	0.3
190.02750	0.3
191.03375	0.4
195.06487	0.5
203.07042	0.7
205.05077	0.5
210.90149	0.3
210.92029	0.3
215.14384	0.9
225.12854	0.5
227.14360	2.8
228.14722	0.3
229.15872	2.4
229.21407	0.3
245.15405	4.1
257.15466	0.3
258.40433	0.4
263.92834	0.3
265.09229	0.4
269.04666	0.6
271.13351	3.5
272.13773	0.6
273.14978	4.7
274.15405	0.5
279.16119	0.5
287.16467	0.3
289.14484	3.0
290.14694	0.4
313.14807	0.4
315.15952	0.7
323.40582	0.3
331.15469	0.6
353.07071	0.4
373.16873	0.4
389.19775	1.2
407.20670	4.3
408.21115	0.8
417.15515	1.0
429.26297	0.4
431.27771	0.7
433.18652	5.2
433.25095	0.6
434.19000	0.8
449.22452	1.5
449.27603	0.6
451.19736	10.6
451.26135	0.5
452.20361	1.8
475.19772	12.1
475.26913	1.3
476.20169	2.1
491.19006	1.3
491.28525	0.8
493.20770	100.0
494.21097	14.7
535.21777	7.4
535.28015	0.4
536.21735	1.5
591.31995	0.6
593.33112	3.3
594.33063	0.7
595.31415	3.9
596.31732	0.7
598.07819	0.4
613.32599	1.1
637.33075	4.7
638.33221	0.6
655.33679	1.0
697.34839	61.2
698.35333	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	697.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16228	0.2
52.48789	0.2
55.01752	0.2
57.03046	0.3
57.03319	5.1
57.90287	0.2
59.00957	0.3
59.01248	6.8
61.98697	3.1
69.03356	0.3
71.01242	2.2
72.99191	0.4
73.02820	1.4
75.00708	0.2
75.92805	0.2
83.01250	0.4
83.04902	0.8
85.02825	1.2
85.06449	0.3
87.00740	1.4
89.02326	0.7
93.03336	0.2
95.04916	0.2
96.95864	0.4
97.06445	0.5
98.19753	0.4
99.00771	0.3
101.02324	1.4
106.04085	0.2
107.01318	0.2
108.02043	0.4
109.02821	0.3
111.00811	0.3
113.02327	1.0
119.03373	0.3
119.04861	0.3
121.02787	0.2
121.06459	0.4
123.04432	0.2
123.08026	1.3
134.07248	0.2
136.05226	1.2
137.09607	2.8
138.32178	0.2
139.11191	1.0
149.02356	0.2
149.05968	0.5
149.09625	2.5
151.00299	0.5
151.11169	1.2
152.01009	0.2
161.04486	0.6
163.07468	0.2
165.09100	0.5
165.12770	1.9
167.14307	1.2
177.12744	1.7
179.10695	1.0
187.11156	0.2
193.12257	0.2
195.13831	24.2
196.14117	1.3
203.14433	0.3
205.12326	0.3
223.13335	0.7
225.14874	1.3
239.12779	0.5
241.14409	100.0
242.14763	6.7
247.13329	0.7
265.14423	23.7
266.14838	1.9
271.06091	0.5
273.15085	0.3
285.03998	0.4
327.21671	0.3
369.19119	2.4
387.20343	1.0
429.21304	2.8
430.21741	0.3
447.31012	0.3
455.19171	3.3
456.19586	0.3
493.31631	0.6
535.25305	0.7
579.17358	0.4
697.37183	4.2
697.80157	0.2
698.37476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.7
59.01246	91.8
60.01569	2.5
61.98702	41.4
65.03813	2.3
69.17552	1.3
71.01251	17.8
71.39391	3.3
72.99171	1.7
73.02818	6.2
83.01256	3.2
85.02808	6.4
87.00739	4.5
89.02313	6.5
92.04909	1.4
95.01267	1.7
95.04919	1.6
97.06463	2.1
99.00732	1.6
101.02313	10.7
109.06412	1.5
111.00711	1.9
113.02346	6.8
119.03345	2.4
119.04951	1.9
121.02847	3.3
125.02274	2.0
125.09618	8.8
135.08058	3.0
145.04958	1.5
146.92950	1.5
161.04492	3.0
162.06763	6.5
171.10146	6.3
177.09105	5.0
184.94887	1.4
185.11812	2.6
187.14803	4.5
199.14633	1.3
201.12671	2.2
209.11766	11.5
213.12720	3.3
231.13837	12.2
245.08105	2.4
249.14865	2.0
258.07562	1.4
329.24695	1.6
339.23254	1.7
373.23740	2.6
383.22253	11.7
401.23291	9.8
419.24307	4.0
437.49799	1.7
468.70895	1.4
567.29199	1.5
577.38049	2.7
595.24200	2.0
619.31165	100.0
620.31561	14.4
637.30786	10.8
637.42120	7.2
697.42706	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	697.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43131	0.9
55.01753	3.0
57.03321	7.1
58.00457	1.4
58.40581	0.9
59.01249	100.0
60.01604	1.1
61.98700	15.3
69.03323	1.6
70.91577	1.0
71.01248	43.5
71.53096	1.4
72.99179	3.0
73.01123	0.9
73.02819	13.6
75.00731	2.2
83.01248	6.3
83.04888	1.6
85.02821	21.3
87.00762	3.4
87.04400	1.0
89.02313	11.8
93.03352	3.1
95.01269	3.8
96.95879	2.0
97.02824	2.1
99.00733	5.5
101.02316	29.7
103.03882	8.1
107.04893	1.3
108.02071	3.3
109.02886	1.8
111.00782	3.1
113.02323	17.7
113.06013	1.0
116.92744	1.1
119.03398	2.9
119.04908	3.7
121.02834	4.8
123.04418	1.0
124.18523	1.0
125.02339	1.8
134.03618	2.6
135.04430	1.5
137.02370	1.9
143.03432	2.8
149.02371	3.0
149.05988	1.2
150.03081	1.2
151.00270	1.6
151.07603	1.0
152.01018	3.0
159.02921	3.0
160.03976	4.7
161.02382	1.0
161.04456	22.5
163.03946	2.5
164.04707	1.2
165.12746	2.0
175.02376	1.1
175.03911	1.3
177.01877	1.2
179.05521	1.6
181.04984	1.8
190.02698	2.9
191.03265	1.2
191.07172	1.3
193.04901	1.5
195.13824	4.5
197.15428	1.3
203.03470	1.8
205.05017	3.0
221.08232	1.5
223.06131	2.1
239.12871	3.6
241.14426	13.3
242.14818	1.0
255.03168	1.5
265.09363	1.2
265.14502	3.0
269.04608	5.7
283.02359	1.6
285.03952	2.3
287.22342	2.6
392.11514	1.9
403.28537	1.4
431.26846	3.9
449.27527	4.6
451.61075	1.0
455.19232	1.2
475.27084	1.8
509.24301	3.3
549.33472	1.2
587.12329	1.1
593.33264	33.0
594.33948	4.4
607.27899	1.3
637.21448	2.1
637.32147	40.0
638.31995	5.5
653.34680	1.2
697.35571	48.9
698.36237	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	697.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	18.7
58.00470	3.9
59.01250	100.0
61.98703	29.1
69.03330	1.9
69.21610	5.7
69.22033	12.0
71.00847	2.2
71.01252	41.9
71.27913	1.5
72.99181	6.4
73.02816	10.7
74.99006	1.8
75.00737	4.2
79.95597	2.1
80.96378	1.6
83.01263	6.5
83.04934	2.0
85.02821	27.7
87.00745	7.7
88.98678	5.8
89.02302	17.1
90.98470	1.8
93.03327	6.3
95.01276	3.2
95.04888	2.5
96.95889	4.5
97.62073	1.8
98.20585	3.9
99.00750	3.3
101.02317	21.6
103.00237	2.1
103.03887	33.1
105.01815	17.1
107.01212	2.5
107.04943	2.4
108.02064	4.5
109.02863	2.3
111.00758	4.8
113.02328	15.5
117.03310	2.1
119.03376	7.6
119.04922	12.2
120.99532	11.6
121.02815	9.3
122.03635	3.0
122.05970	1.8
123.04479	2.1
123.08031	3.2
125.02339	6.5
131.03360	2.1
134.03549	3.0
135.04417	3.6
137.02344	6.5
137.05984	2.4
137.09642	3.4
139.11182	20.1
143.03398	3.0
145.02827	3.0
147.04422	2.2
148.99095	1.8
149.02348	5.2
149.05980	2.0
149.09608	3.7
150.03070	3.2
151.00282	6.2
151.03900	3.0
152.01009	2.4
153.01831	3.0
160.03961	2.6
161.02339	4.5
161.04440	6.8
161.09677	2.6
161.13214	2.5
163.03864	6.2
164.04678	3.6
165.01833	2.3
166.02512	1.8
175.03944	4.1
177.05495	3.1
177.12688	2.2
179.05492	6.1
181.05034	2.1
181.12311	4.1
183.10181	11.6
187.11227	9.7
190.02644	5.6
193.04959	3.4
195.06534	3.1
195.13828	19.8
201.05769	1.7
201.11256	40.9
205.05006	6.0
205.12268	3.6
209.11850	2.3
211.07690	1.8
215.12813	7.3
221.04411	2.6
223.06154	2.3
225.11189	10.3
237.09657	1.7
239.12849	30.2
241.14502	9.6
243.12328	7.0
247.07957	2.4
247.13245	1.8
263.12827	9.5
265.09467	9.1
265.14334	2.0
269.04559	5.3
269.11633	2.3
271.06082	3.6
283.02628	2.1
285.03876	4.2
287.12848	4.4
289.14517	2.7
291.96542	1.8
303.14651	2.0
320.47433	1.8
329.14050	2.6
389.21863	2.3
391.22403	3.1
405.21307	2.5
431.18655	2.5
447.09195	2.7
449.19830	18.4
449.26682	2.6
491.19940	14.7
491.28119	3.6
493.28143	2.4
507.28537	2.1
518.20001	3.1
535.29065	2.9
536.21228	4.2
551.23370	6.5
579.16565	2.2
593.33722	2.3
611.25293	9.2
653.31958	3.9
697.28149	77.9
697.39679	3.4
698.28979	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	697.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98159	2.1
55.01748	2.7
57.03311	4.7
58.00482	2.6
59.01246	48.3
61.98696	13.9
69.49216	16.8
71.01248	21.9
72.99169	2.6
73.02807	8.4
75.00764	3.2
76.49707	2.0
83.01258	3.7
85.02818	11.7
87.00735	3.4
89.02321	10.6
93.03320	6.4
95.01263	3.2
97.02837	2.8
99.00773	4.0
99.04359	2.2
101.02307	13.9
105.40688	2.0
108.02060	4.2
109.02803	3.6
111.00701	2.9
113.02299	9.1
119.01270	4.8
119.03342	3.4
119.04903	6.2
121.02835	12.1
123.04440	3.5
125.02328	3.7
134.03622	4.1
135.04379	4.3
137.02325	6.4
147.00755	5.2
148.01534	3.2
149.02324	18.9
150.03127	15.1
151.03914	3.1
152.01018	6.5
153.01820	3.4
161.04459	3.6
163.03891	9.7
164.04659	13.5
165.01862	2.4
165.05450	6.6
175.00258	27.5
176.01068	64.3
177.01727	6.1
179.05460	2.8
179.06993	3.5
190.02635	79.9
190.04361	3.8
191.03415	77.8
192.03818	2.8
194.02185	3.9
195.02917	5.1
195.06543	3.3
195.13760	2.9
205.03058	4.2
205.04994	79.1
206.05341	4.3
207.06494	2.9
209.04478	5.9
210.41551	2.4
223.06099	14.7
225.14888	3.0
241.14417	4.6
265.09293	3.3
287.12967	2.6
297.11859	6.5
301.20334	4.2
343.45810	2.4
405.21109	9.2
449.17926	4.1
491.22595	7.1
509.23599	4.2
549.27063	9.5
561.23151	4.8
565.26453	5.8
593.25958	71.0
594.26526	11.1
611.17560	4.5
611.26996	57.8
612.27338	9.0
653.28052	100.0
654.28381	15.3
697.29010	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	697.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.8
57.03317	5.6
58.00445	1.3
59.01248	18.5
61.98693	2.3
69.98563	0.5
71.01250	13.6
72.99166	2.1
73.02812	4.0
75.00744	1.3
83.01238	1.5
83.72900	0.6
85.02818	16.7
87.00754	1.7
89.02306	5.2
93.03314	2.7
95.01237	1.0
99.00739	1.3
101.02313	7.6
101.56675	0.6
103.00217	1.0
103.03887	25.4
106.04103	0.6
107.04903	0.9
113.02349	3.3
113.83154	0.6
119.03399	1.0
119.04887	1.5
121.02832	2.5
124.01558	0.7
125.16840	0.6
129.01828	0.6
130.66830	0.6
137.09631	0.8
143.04895	0.8
145.04987	0.6
149.02319	0.9
153.19255	0.6
157.06403	1.2
158.79726	0.7
159.08018	1.2
173.09654	0.8
183.07933	0.7
195.06512	0.9
195.13806	5.0
201.05560	0.8
205.04901	0.6
210.08783	0.7
225.12770	2.7
226.13397	0.7
227.14322	1.5
241.14409	27.1
242.14706	2.2
243.13869	3.0
247.08150	1.7
258.69940	0.6
265.09225	1.1
265.14386	2.5
269.11688	1.9
271.13412	3.3
283.12878	0.6
285.14810	1.5
287.12802	2.3
313.14520	1.4
329.13824	0.6
385.66110	0.7
395.47986	0.6
405.19278	1.5
429.41000	0.6
431.17093	8.4
449.18155	18.6
450.18329	2.0
463.19733	7.1
491.19266	4.6
492.19608	1.3
509.23779	2.3
577.19415	1.1
697.27020	100.0
698.27362	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27512	0.6
55.01749	1.1
57.03315	1.8
58.00491	0.7
59.01250	29.2
61.98699	10.0
69.03331	1.1
71.01255	16.7
71.33102	1.3
72.99171	1.8
73.02824	5.4
75.00754	0.9
83.01250	3.5
85.02822	9.3
87.00747	1.9
88.98672	3.5
89.02312	7.3
93.03336	3.6
95.01264	1.6
96.95898	1.1
97.02839	0.9
99.00750	1.3
101.02316	12.1
103.03878	2.2
106.04119	2.5
107.04932	1.7
108.02032	1.3
109.02802	1.0
111.00749	1.9
113.02357	6.0
116.92731	1.1
119.03418	1.6
119.04900	4.0
121.02871	4.8
123.04396	1.3
125.02312	1.6
134.03653	0.8
136.05194	19.9
137.02327	1.5
137.05502	0.9
138.22191	0.7
143.04948	1.0
149.02322	1.7
149.05925	1.1
150.03101	0.8
151.00259	1.3
151.03926	0.8
151.07544	38.7
152.01012	1.0
152.07893	2.1
153.01895	0.8
159.08000	2.0
160.03975	1.2
161.02344	0.8
161.04465	2.3
162.03011	0.7
163.03877	2.4
164.04665	1.3
165.05611	0.8
167.03479	0.9
176.01154	1.4
177.05476	7.3
179.05586	0.8
181.04994	0.8
183.08109	0.7
186.92375	0.7
190.02618	2.6
191.03391	1.1
192.06833	0.8
193.04965	1.9
195.06551	57.0
195.13785	0.8
196.06891	2.3
203.07028	1.0
205.04987	2.5
209.04465	0.8
211.11177	0.7
223.05988	1.6
225.12830	5.2
227.14359	2.6
228.14571	0.7
241.14389	0.8
243.13878	3.5
265.09384	3.0
269.04538	1.8
269.11761	2.9
271.05969	0.7
271.13419	4.8
284.03333	0.8
287.12851	5.7
287.22256	1.0
329.13962	0.7
357.11920	15.3
358.12018	1.2
405.19220	2.1
431.16943	4.9
431.26578	1.4
432.17654	0.8
449.18140	100.0
449.28094	3.0
450.18503	11.6
463.19983	1.1
491.19193	13.4
492.19623	2.2
501.47372	0.7
509.23468	0.9
533.20923	0.7
535.21759	2.5
611.26434	1.1
653.29388	3.2
697.22656	10.7
697.38300	1.0
698.23981	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01580	1.0
61.98698	2.0
69.99958	0.1
70.48917	0.1
71.01250	0.6
73.02810	0.2
81.03316	0.2
83.04915	0.2
85.02830	0.2
87.34895	0.2
96.95899	0.2
98.19830	0.3
101.02361	0.3
113.02337	0.2
121.02834	2.0
128.53162	0.1
132.50235	0.2
135.04459	0.3
137.06004	0.2
147.04401	1.3
148.04828	0.3
149.05994	0.2
159.04419	0.3
161.43840	0.2
162.06647	0.3
169.79181	0.1
171.10226	0.9
174.03119	0.3
175.03912	7.8
176.04259	3.3
177.04475	0.8
178.92084	0.2
187.04008	0.3
188.04268	0.2
191.03400	1.0
199.07712	0.1
199.27448	0.1
201.05542	0.2
209.04472	1.4
227.07237	0.3
228.07419	0.2
245.08148	1.3
246.08427	0.9
247.08646	0.3
263.09207	4.8
264.09534	3.6
265.09650	0.9
289.18100	0.2
347.15225	0.2
395.73706	0.2
431.20401	0.1
439.71121	0.1
444.31186	0.1
593.13220	1.0
593.24158	1.0
594.24255	4.9
595.24487	6.5
633.30890	0.2
635.31244	0.2
697.41425	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58539	0.2
58.00488	0.3
59.01247	15.9
60.01582	1.6
61.01681	1.1
61.98698	100.0
69.14561	0.2
69.18692	1.7
69.19114	0.7
71.01258	0.4
73.02818	0.4
98.19788	0.4
102.60696	0.2
115.58852	0.2
125.09624	0.2
127.11183	0.2
147.04428	2.3
148.04742	0.6
148.26398	0.2
152.97765	0.2
171.10402	0.2
183.01009	0.2
199.09773	0.2
201.11234	7.9
205.22467	0.2
235.08263	0.4
241.95775	0.2
253.09206	1.1
269.52612	0.2
277.21707	4.5
311.22369	0.9
329.23544	0.2
405.17712	0.3
414.21671	0.2
437.20126	0.2
461.32751	0.3
506.32523	0.2
512.68854	0.2
530.33807	0.3
577.35706	0.8
578.35645	4.7
579.36060	0.6
588.37244	0.5
630.61102	0.2
634.24579	0.3
636.39630	3.0
637.41260	0.3
665.26428	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14076	0.3
53.57628	0.3
59.01248	28.5
60.01581	3.1
60.38678	0.2
61.01670	2.5
61.98700	100.0
70.09450	0.9
71.01255	0.8
73.02814	0.6
73.34479	0.2
73.61323	0.3
82.07338	0.3
85.43597	0.2
94.95592	0.3
98.20473	0.3
101.02295	0.4
125.09660	0.6
127.11201	0.3
147.04405	2.9
148.04784	0.9
161.04457	0.3
171.10234	0.8
177.89397	0.3
192.30782	0.2
199.09747	0.8
201.11252	10.0
209.11717	0.7
232.34099	0.3
234.51207	0.3
235.08232	0.9
253.09265	2.0
277.21710	8.0
278.22104	0.3
356.54504	0.3
386.37030	0.3
404.76389	0.3
461.33026	0.3
472.51175	0.3
577.35522	1.1
578.35651	6.1
578.44226	0.3
579.36066	0.5
587.36804	0.4
588.37177	0.6
629.47388	0.3
636.39673	3.5
637.40216	0.4
665.58252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12278	0.4
58.39695	0.4
59.01249	100.0
60.01586	0.8
61.98705	8.1
64.53487	0.5
68.48863	0.5
69.29552	0.4
71.01247	11.2
71.52386	0.6
72.99183	0.5
73.02805	3.9
75.00732	0.9
81.03335	0.6
82.58661	0.4
83.01258	1.4
83.04917	1.0
85.02833	4.7
85.06451	3.1
87.04380	0.7
89.02325	1.5
91.05408	0.7
95.01268	1.3
97.06454	0.6
99.00755	1.4
101.02322	9.3
109.02901	0.7
113.02333	4.1
115.00275	1.5
119.04879	0.6
119.06986	0.4
121.02842	0.8
125.67552	0.5
129.01849	0.7
131.04962	0.8
133.06499	0.5
135.04405	2.5
137.06003	1.4
143.03485	1.1
145.02875	0.6
147.04430	8.1
149.06013	1.0
159.02931	1.5
159.04440	3.9
160.05165	0.4
161.02380	0.9
161.04474	8.7
161.05971	2.3
162.03133	1.3
163.04070	0.5
163.07591	0.6
171.10164	0.8
173.05978	3.2
174.03180	1.1
174.06717	0.5
175.03918	47.1
175.07544	1.3
176.04211	2.7
177.09250	0.5
187.03906	2.7
187.07587	1.9
188.04695	1.2
199.07602	1.3
201.05508	2.5
201.09138	1.2
202.06226	1.2
205.08626	4.8
206.02098	0.9
215.07130	0.8
215.10825	0.6
216.00568	0.7
217.08691	1.6
218.09451	1.6
219.10225	1.1
223.09659	0.6
227.07072	3.3
227.10759	0.6
228.07393	0.5
229.08777	0.8
231.10216	2.0
232.10965	1.4
233.11946	0.6
235.09811	0.6
245.08150	11.3
245.11824	2.0
246.08493	0.9
253.09019	0.5
258.08978	1.4
263.09229	34.8
264.09570	2.6
271.09811	1.0
277.14487	1.0
285.14917	0.7
290.08032	1.1
303.16003	6.5
343.15466	2.5
347.14960	2.9
351.12506	2.6
357.28101	1.0
361.16824	0.8
365.14108	0.6
375.28867	0.9
377.14200	0.8
401.78427	0.5
409.16629	2.0
435.18356	0.5
436.18857	1.8
445.24432	0.5
463.17557	1.3
474.23239	0.5
494.23050	1.2
505.18631	0.5
517.18115	0.5
519.33954	0.8
537.34387	1.9
549.34314	1.4
553.21436	0.5
579.29498	4.4
580.29803	1.0
593.23871	42.3
594.24255	9.7
607.32599	0.6
633.30609	4.6
634.30835	0.7
635.41589	27.8
636.41931	5.2
651.31793	0.8
663.24316	1.0
677.29553	8.8
678.29468	2.3
695.30786	19.4
695.43311	3.3
696.31042	4.6
720.87939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4373
Annotation	Cumingianoside B
Peak:m/z	Relative Intensity
52.98735	0.3
55.01749	0.4
57.03312	0.5
59.01249	100.0
60.01590	0.8
61.98704	4.2
65.00193	0.4
68.26196	0.3
69.35963	0.4
69.36370	2.1
71.01251	8.2
72.99207	0.5
73.02813	3.6
78.35440	0.2
78.95764	0.7
81.78178	0.3
83.00820	0.3
83.01260	1.7
85.02817	3.6
85.99985	0.4
87.00760	0.6
88.98689	0.3
89.02304	1.7
90.59238	0.3
95.01278	0.6
96.95941	0.4
98.19817	0.7
99.00756	0.9
101.02322	6.2
107.01286	0.5
108.01981	0.4
111.00754	0.3
113.02323	3.9
116.92724	0.5
117.03342	0.3
119.03459	0.6
119.04932	0.8
121.02837	0.4
125.02373	0.4
135.04352	0.3
136.01544	0.3
137.02370	0.3
149.02422	0.3
151.00267	1.0
161.04459	3.7
162.06728	0.5
171.00566	0.4
171.10184	0.5
177.09097	0.4
179.05571	0.4
223.06123	0.4
241.14583	0.3
269.04523	0.5
271.06158	0.7
391.28522	4.4
392.28888	0.4
491.37195	0.7
503.37650	0.4
535.32849	1.2
553.33850	0.8
595.34906	0.5
635.41595	14.5
636.41980	2.5
651.37732	0.6
652.39459	0.3
653.42383	2.2
654.42804	0.4
679.41003	1.2
695.43829	21.0
696.44189	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	695.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.5
57.03320	21.6
58.03658	0.6
59.01247	15.7
61.98702	3.3
68.99683	0.8
71.01247	5.9
71.52537	0.4
72.99188	0.6
73.02809	2.2
79.27780	0.3
81.03345	0.4
83.01255	1.2
83.04905	2.2
85.02814	3.6
85.06483	0.9
87.00745	3.0
89.02305	1.5
93.03335	0.7
95.04942	0.3
96.95915	0.5
97.02853	0.6
97.06463	1.5
99.00750	0.5
101.02325	4.0
108.01162	0.3
108.02015	0.7
109.02843	0.4
109.06477	0.7
111.00780	0.4
113.02325	2.5
116.92715	0.4
119.03394	0.8
119.04929	0.4
121.02834	0.9
121.06483	1.4
123.08041	5.3
125.02277	0.6
134.07289	0.4
135.08072	0.5
137.02330	0.4
137.09621	9.9
139.07634	0.4
139.11206	3.3
147.11769	0.3
149.09618	10.5
150.10014	0.5
151.00298	0.3
151.07552	0.5
151.11183	2.7
152.01044	0.9
153.01845	0.6
159.02965	0.6
161.04483	1.4
161.09622	1.2
163.03934	0.5
164.43195	0.4
165.05447	0.3
165.12762	5.4
167.14323	2.2
175.11229	0.3
177.12740	5.3
177.36240	0.3
178.13110	0.4
179.10703	2.8
190.02582	0.4
193.12164	0.5
195.13829	57.6
196.14185	3.4
205.05013	0.3
205.12282	0.5
209.15436	0.4
223.13243	0.7
225.14914	3.5
225.89832	0.3
226.15250	0.3
237.14893	0.8
239.12840	100.0
240.13185	7.4
241.14400	17.1
242.14763	1.3
263.12857	32.2
264.13174	3.1
265.14438	3.5
269.04468	1.6
281.17401	0.4
297.17114	1.1
360.19827	0.3
369.19144	5.6
370.19656	0.6
387.20316	3.6
427.19736	0.6
429.21326	6.6
430.21246	0.5
432.22083	0.4
453.10168	0.6
453.17249	0.6
455.19220	5.6
456.19363	0.7
465.20645	1.0
477.03827	0.4
575.13556	0.5
651.32922	1.6
695.33997	2.8
696.34302	0.4
696.40314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14391	0.5
59.01248	100.0
60.01575	1.2
61.98701	0.6
63.96141	0.6
71.00202	1.2
78.95774	12.8
80.96389	1.9
97.88567	0.6
205.15926	1.0
246.71300	0.8
440.17450	0.8
693.64844	0.7
695.30975	50.6
696.31409	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69870	0.4
59.01245	7.6
61.98700	4.2
62.43138	0.4
67.01788	0.5
69.22648	4.2
71.01256	0.8
80.77952	0.4
81.03320	1.5
83.04886	1.2
85.02829	0.4
87.04390	1.1
89.02319	0.6
89.65339	0.3
89.91626	0.4
91.05402	2.0
93.27820	0.3
97.35895	0.4
98.20591	0.8
103.05437	0.5
105.21826	0.3
106.63856	0.4
109.02818	1.0
113.02306	0.4
119.04877	0.5
119.06960	0.5
121.02835	1.1
121.80975	0.4
123.04359	0.5
130.04083	0.5
130.89955	0.4
131.04916	1.4
133.06488	0.4
135.04440	2.3
137.05983	3.0
145.02798	1.2
147.04407	14.8
148.05058	0.9
149.06003	1.2
159.04419	3.7
160.65416	0.4
161.02396	0.6
161.06026	1.2
162.06735	1.2
171.10147	0.8
173.05904	1.8
174.03101	1.9
174.06552	0.5
175.03914	100.0
176.04260	4.0
177.09116	0.9
178.79155	0.4
183.08098	0.5
187.03902	4.0
188.04306	0.4
189.09094	0.5
199.07556	1.8
201.05453	2.8
201.09102	2.0
202.06154	0.4
203.03391	1.1
205.04959	0.7
206.02127	1.4
215.07124	0.5
216.00545	0.7
217.08575	1.9
218.09254	0.5
223.09663	1.0
227.07063	6.3
235.09752	0.9
241.08575	0.7
243.06616	0.6
243.10046	0.4
245.08154	19.1
245.11830	0.9
246.08499	1.2
257.08167	0.5
258.08978	0.7
261.07599	0.7
263.09213	73.7
264.09564	4.2
271.09628	0.6
277.14432	0.6
285.11179	0.6
290.08099	0.9
303.15979	3.2
309.00134	0.4
343.15463	2.6
347.14975	2.7
354.61554	0.4
380.08939	0.4
395.31873	0.4
505.18378	0.9
517.18365	0.6
542.45294	0.5
575.23383	0.7
593.23889	93.7
594.24207	13.1
602.42572	0.4
611.24207	0.4
633.30823	3.0
634.31305	0.6
635.41016	1.5
677.28699	0.7
678.29529	0.5
695.29095	0.7
695.41302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.7
59.01250	10.8
61.98703	16.9
63.99114	0.8
69.69495	0.7
70.43956	1.3
70.44337	1.9
71.01244	2.3
79.95658	0.6
81.03355	0.9
82.39083	0.7
83.04897	1.8
85.02842	0.6
87.04391	6.0
93.03274	0.7
96.95912	0.7
101.02354	0.9
102.15589	0.6
113.02338	0.7
116.92696	1.1
117.06950	0.9
121.02847	0.7
125.02313	1.3
129.06958	0.7
130.04124	2.3
131.04890	0.8
131.08449	0.8
135.95702	0.6
145.02864	9.0
145.06509	1.1
146.03561	2.0
147.04370	2.8
148.05167	1.3
149.05942	1.1
156.05693	2.1
157.06458	2.0
159.04405	3.3
161.05962	1.9
161.42134	0.7
162.06795	0.9
171.10173	3.2
173.02390	4.9
173.05989	7.3
174.01724	1.3
174.03143	16.2
174.06636	1.3
175.03923	58.4
175.07475	6.4
176.04247	2.2
177.09122	1.0
178.02614	1.4
183.08076	0.8
185.06070	1.1
187.03938	7.2
187.07588	5.6
199.07565	1.3
201.05505	64.0
202.05901	3.8
203.03397	2.4
205.08601	0.8
206.02141	14.2
207.02274	0.8
209.11798	2.3
215.06998	2.0
215.10759	0.9
218.09332	0.7
227.07114	7.8
227.10718	1.4
227.12836	0.9
228.07465	1.0
229.08644	2.9
231.10120	1.2
233.11794	6.0
234.12105	0.9
245.08174	24.5
245.11823	1.7
246.08408	1.4
249.14856	1.7
253.09169	1.2
259.09637	2.2
263.09262	9.6
263.12360	0.9
271.09738	1.6
282.62927	0.6
285.14740	0.7
289.10812	3.7
293.30341	0.7
303.15942	2.4
305.17648	1.0
347.14886	1.9
365.15964	2.0
409.16547	1.4
459.96124	0.6
579.29749	1.7
635.41577	0.9
677.29004	0.8
695.30640	100.0
696.30939	18.8
696.42401	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	19.7
61.98697	10.8
62.65063	1.3
69.81219	1.2
71.01244	9.9
71.52452	1.7
73.02802	1.7
81.92649	1.0
85.02793	1.4
85.06435	1.4
87.04389	2.2
93.03339	1.2
97.06471	1.6
102.09696	1.1
115.00248	8.1
121.02788	2.7
123.04420	1.4
133.02821	1.2
134.03629	1.5
135.04393	3.6
139.00238	2.0
141.32571	1.1
143.04927	1.2
147.04420	11.4
148.05034	1.6
149.05908	1.9
159.04378	4.7
160.05194	2.3
161.02359	1.6
161.05937	7.7
162.03082	3.6
166.02615	1.8
171.10173	2.6
173.05992	10.5
174.03090	2.1
174.06662	2.3
175.03894	4.4
175.07582	5.3
187.03888	4.2
187.07556	4.5
188.04692	9.3
189.05252	1.7
189.09088	2.0
191.06963	1.1
192.07915	1.5
193.08719	1.9
199.07457	1.6
201.05482	2.6
201.09120	2.7
202.06358	2.3
203.06961	3.7
204.07841	1.3
205.08612	22.0
213.09099	1.7
215.10716	1.6
216.00609	1.3
217.08606	3.6
218.09450	6.3
219.10216	6.3
225.05490	1.2
227.07170	1.7
227.10730	4.1
230.09261	1.5
231.10202	14.1
232.10883	3.3
233.11696	2.0
245.08122	3.4
245.11795	8.3
253.04765	1.1
257.08194	1.6
258.08905	6.6
259.13528	1.6
263.09097	1.7
266.05783	1.5
267.06470	1.2
273.15155	1.5
277.14432	3.9
285.14777	1.3
287.16644	1.4
303.15994	20.6
324.09888	1.9
338.11499	1.7
347.14828	2.1
351.12366	5.4
365.13858	2.3
409.16504	13.5
410.16611	1.8
435.18018	2.3
436.18845	4.4
437.19293	2.7
463.17572	3.5
489.19421	1.8
494.22839	5.4
562.08112	1.5
579.29608	27.7
580.30164	2.7
607.32635	4.9
633.30603	13.1
634.30811	2.6
635.40674	2.4
651.31616	1.9
667.60193	1.3
677.29596	47.2
678.29852	7.7
695.30664	100.0
696.31067	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	695.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	3.4
58.00461	1.4
59.01247	100.0
60.01592	0.8
60.99195	0.6
61.98702	6.2
69.38448	5.9
71.01252	23.6
72.99181	2.8
73.02818	4.0
83.01270	1.7
85.02824	6.8
87.00763	1.8
89.02311	23.2
89.02836	1.4
93.03367	0.7
95.01264	2.5
96.95920	1.0
98.20693	0.8
99.00779	1.3
101.02326	14.8
101.02929	1.2
107.04919	1.0
109.06435	0.7
111.00790	1.1
113.02333	11.2
115.03899	0.7
119.03388	9.4
119.04909	2.2
121.02859	1.8
125.02306	0.9
131.03436	1.5
137.02293	0.7
143.03419	2.6
149.02374	1.1
149.04501	1.4
149.09560	1.0
151.00287	0.7
159.02927	1.0
161.02371	0.9
161.04495	5.3
164.04646	1.0
165.12828	0.8
170.28011	0.7
171.10231	0.7
179.05540	15.0
180.05914	0.9
195.13846	7.3
223.06050	0.9
239.12840	5.1
241.14412	20.2
242.14780	1.3
263.12875	1.8
263.65012	0.6
265.14413	3.7
267.57724	0.7
269.04642	1.7
271.06134	0.9
273.14996	1.4
421.00922	0.7
593.25891	5.9
594.26337	0.9
617.25970	17.4
618.26050	3.7
619.47040	0.7
635.27271	8.4
635.37848	1.8
636.27319	1.5
651.33777	3.0
695.37573	7.8
696.37708	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	695.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68260	0.7
56.29191	0.7
57.03314	0.8
59.01249	7.6
59.02914	0.7
61.98686	1.3
69.31384	2.5
69.31795	6.1
70.36584	0.7
71.01254	14.9
72.99171	0.8
73.02799	1.6
73.83717	0.8
83.01247	1.3
85.02817	4.3
87.00761	1.2
89.02299	1.6
91.01765	1.1
93.02764	1.7
93.03331	26.8
94.02843	1.1
94.51055	0.9
101.02314	4.4
103.03848	1.0
108.02032	2.8
109.02856	1.4
113.02326	3.3
115.00263	11.0
116.92724	1.7
117.03329	2.0
119.01259	3.7
119.04907	9.2
121.02856	5.1
122.06006	2.2
123.04368	1.4
129.01851	1.6
130.04163	1.2
130.08621	1.0
131.04913	2.3
132.02173	0.9
132.05730	0.9
133.02777	1.0
133.06522	1.3
134.03586	2.2
135.04387	1.6
136.07599	1.1
137.02324	2.4
143.04889	3.0
145.02840	1.4
145.05472	1.4
145.06505	18.7
147.00777	3.9
147.04387	2.8
148.01552	3.1
149.01225	1.4
149.02333	15.7
150.03157	6.9
151.00273	1.9
152.01039	1.6
152.07056	3.2
153.07381	1.0
159.04396	1.3
160.01530	2.6
160.03946	2.9
161.02307	2.1
161.04466	0.9
163.03957	5.4
164.04691	15.5
165.01828	2.0
165.05389	2.8
171.04433	1.4
173.04475	1.7
174.98795	1.5
175.00285	28.7
175.03885	3.1
176.01064	29.6
177.01785	4.8
177.05423	1.6
179.07011	2.3
189.01859	1.4
190.02638	79.3
191.03419	36.9
192.03874	1.8
193.01355	2.0
193.05011	1.6
194.02116	2.6
203.03372	1.5
203.07059	1.1
205.05000	83.8
206.05345	6.2
208.03610	2.9
209.04439	7.3
209.06183	1.6
210.06772	6.1
211.07571	27.8
212.07916	1.2
222.06827	3.5
223.05824	13.4
223.07680	4.8
224.06258	1.2
226.06187	1.6
235.07588	2.4
236.08148	1.5
237.09184	29.7
238.09627	4.8
239.10732	30.3
240.10933	2.0
241.08530	1.0
249.99753	0.9
251.05353	1.1
253.08624	7.3
254.09377	1.3
265.08868	2.8
271.06024	2.0
286.07156	2.3
295.10797	2.2
296.11041	2.0
297.11337	2.4
327.08582	1.3
335.12411	1.4
336.12897	0.8
337.09140	1.2
338.06604	0.9
339.07047	1.7
352.07687	1.0
353.08780	12.1
366.08209	1.0
367.10321	37.3
368.10785	2.8
461.18979	1.6
462.19092	1.1
479.74442	1.1
504.17880	1.5
505.17999	2.9
506.18542	4.6
533.12683	1.0
537.20612	2.0
538.20941	2.8
557.12909	4.7
565.16992	16.1
566.17279	2.0
579.17987	6.3
607.21429	1.7
619.18250	1.9
651.20953	9.1
652.20959	2.7
663.17261	1.5
695.19708	100.0
696.20001	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22247	0.3
59.01241	0.9
62.92344	0.3
63.02292	0.6
65.00226	0.9
69.62657	2.5
78.42673	0.4
83.01257	0.8
85.16782	0.3
93.03339	1.1
96.95911	0.4
98.20515	0.5
99.00737	0.3
107.01281	1.1
109.02825	0.5
111.00800	0.5
113.02380	0.4
115.77140	0.3
117.03377	1.3
121.02850	0.5
135.00774	0.4
137.02345	0.4
147.04488	0.4
151.00249	2.3
154.04185	0.6
155.04868	0.5
159.04465	0.7
164.07024	0.5
165.01913	0.8
167.04958	0.3
169.01314	0.4
169.06493	0.7
171.04433	1.0
173.02367	0.5
182.03612	0.4
183.04443	3.9
185.02309	0.4
185.05931	1.2
187.03958	1.0
189.05493	0.6
206.08189	0.9
211.03969	3.1
213.05586	0.8
214.02704	0.3
227.03471	13.6
228.03926	1.0
229.04993	0.6
239.03421	0.5
241.04921	0.7
255.02969	61.2
256.03491	5.1
257.04541	0.9
268.03665	0.5
269.04568	0.9
281.04721	0.7
283.02475	100.0
284.03149	23.9
285.04028	76.1
286.04434	5.3
297.04056	2.1
299.05753	0.7
326.04175	0.6
327.05133	3.5
446.08554	12.7
447.09232	11.4
448.09512	0.9
489.10352	33.8
490.10660	4.4
501.10208	0.5
513.09991	0.5
519.41046	0.5
531.11432	4.1
532.12030	0.6
555.11237	1.0
609.14685	0.5
651.15607	45.4
652.15887	7.2
695.21637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01584	1.1
60.09858	0.3
65.43092	0.3
71.09956	0.4
71.10282	0.4
73.02823	0.8
78.50375	0.3
78.80621	0.2
83.19049	0.3
89.20558	0.2
91.66277	0.3
98.20339	0.4
118.29521	0.3
120.02380	0.3
147.04410	2.4
312.91226	0.3
336.71451	0.3
462.03525	0.3
503.31573	2.1
504.31415	0.3
515.31744	0.5
551.08398	0.3
559.34430	0.6
585.35822	3.8
586.36072	0.6
603.36737	0.7
604.37671	0.4
633.37891	5.2
634.38470	1.7
692.07159	0.3
696.42957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4219
Annotation	Scrophoside A
Peak:m/z	Relative Intensity
55.01750	0.7
57.03323	1.0
58.00465	0.7
59.01248	100.0
60.01580	0.9
61.98703	4.4
65.44252	0.3
69.03336	0.5
69.34991	2.5
71.01249	19.6
72.99187	2.3
73.02814	4.0
83.01249	2.3
85.02827	6.3
87.00756	2.2
89.02312	12.1
93.03326	0.4
95.01265	1.3
97.02879	0.6
98.20594	0.6
99.00775	1.4
101.02321	11.6
107.04925	0.3
107.57220	0.3
113.02324	9.5
115.77010	0.3
119.03384	5.5
119.04831	0.5
121.02847	0.8
125.02372	0.7
131.03406	1.0
143.03429	1.6
148.39969	0.3
148.73810	0.3
149.04477	1.0
151.00302	0.5
159.02975	0.8
161.04454	7.3
171.10176	6.2
172.10529	0.4
179.05521	7.1
179.06999	0.5
195.13779	0.3
209.11800	0.4
211.13327	5.9
212.13733	0.5
235.08215	0.4
253.09332	0.5
268.20593	0.3
277.21744	0.6
295.22781	3.9
397.13538	0.8
407.19235	0.4
415.14578	0.8
435.32697	1.3
453.33929	0.4
471.34610	0.4
489.36066	0.7
577.37311	4.2
589.37811	0.7
595.38745	0.7
615.39276	0.4
619.29095	0.5
633.40082	22.9
634.40430	4.6
637.39691	1.4
649.39069	0.4
651.40570	0.9
693.42120	8.0
694.43134	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	693.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02241	0.2
56.52006	0.1
57.29524	0.2
59.01248	100.0
60.01307	0.2
60.01577	1.1
61.98713	0.4
65.75826	0.2
69.57629	1.1
71.01269	0.4
73.02838	0.9
73.22382	0.2
82.79690	0.2
85.02846	0.3
103.03897	0.4
124.05133	0.2
147.04410	2.7
150.27441	0.2
209.16142	0.2
276.89038	0.2
304.53470	0.2
388.29523	0.2
411.49310	0.2
503.31567	2.7
504.32483	0.4
515.31439	0.9
529.33240	0.3
543.34900	0.3
559.33899	0.5
573.36267	0.2
580.08679	0.2
585.35785	3.9
586.36298	1.0
603.37085	1.1
633.37842	6.7
634.38275	1.5
693.20032	0.5
694.19995	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	693.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.9
59.01255	6.9
67.52769	0.9
67.88338	0.9
69.43238	5.3
69.43651	1.7
71.01250	4.5
75.00720	0.8
77.48387	0.9
80.04927	5.9
85.02855	1.3
89.02367	1.0
93.03313	1.9
94.02871	6.1
98.19831	1.7
101.02318	1.1
103.03862	0.9
104.04945	2.0
106.06503	3.3
107.03660	3.9
108.04444	3.2
119.04890	1.6
121.45862	0.9
122.06010	21.5
123.06330	1.4
130.06467	2.0
132.04446	1.1
134.02751	0.9
134.06023	10.4
136.04001	1.0
136.05182	1.0
136.07567	5.1
138.05457	1.9
146.05939	1.8
148.03929	2.8
149.04749	1.0
150.05478	2.8
151.03818	1.0
151.07539	0.9
152.07077	45.5
153.07442	2.0
160.03970	4.0
161.04597	1.4
174.05531	1.5
176.01053	2.0
180.06544	6.7
188.07088	18.4
189.07530	1.1
190.02640	0.9
190.05070	1.2
191.03424	2.4
210.07761	1.2
211.08725	3.1
217.27808	0.9
218.08260	0.9
221.08031	1.2
221.92377	0.9
223.12340	1.2
224.09601	1.2
225.10269	5.7
227.11868	5.7
229.09738	1.3
237.10323	1.9
238.07413	2.7
239.11665	1.0
245.12907	2.7
250.07359	1.3
251.08263	2.1
251.11804	2.6
252.08980	2.6
253.09767	9.0
263.08270	1.3
264.08780	1.7
265.09656	4.0
266.10632	1.2
267.11499	4.9
269.04532	1.1
269.12787	1.3
271.09863	0.9
273.12445	1.6
274.12701	1.4
275.13235	1.4
277.09741	3.5
278.10629	1.0
279.08228	4.3
279.11316	3.9
292.08560	1.1
293.09357	3.5
294.10052	3.6
295.10849	35.4
296.11160	2.8
307.10873	12.8
308.11157	1.2
313.11697	1.2
315.05011	3.0
318.11780	1.5
323.10431	2.8
335.12396	5.6
336.12793	7.7
337.13123	4.3
339.09760	2.3
357.11856	1.4
392.19818	1.3
432.19141	1.7
460.18771	34.4
461.18997	4.7
476.17972	2.0
477.18634	1.0
504.17755	100.0
505.18033	14.5
508.20847	1.2
511.20044	1.4
536.20374	76.7
537.20679	11.8
546.74243	1.0
603.30103	1.0
661.24640	1.4
675.26880	1.8
693.27350	3.3
693.48523	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	693.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	6.7
58.00466	1.0
59.01245	30.5
61.98685	3.3
71.01250	21.8
71.04871	1.0
71.32473	1.7
72.99143	2.5
73.02789	2.9
75.00729	1.4
81.03347	1.2
83.01244	3.2
83.04853	0.9
83.21587	0.8
85.02289	1.4
85.02819	28.0
86.03165	0.9
87.00743	2.8
87.04375	1.7
89.02315	14.2
93.03320	1.3
96.95872	3.5
97.02821	1.7
99.00741	1.0
101.02315	13.1
103.03886	56.2
104.04202	1.1
108.02124	1.0
109.02844	2.6
109.06439	0.9
111.00734	2.4
113.02336	7.5
117.05453	1.5
119.03388	6.8
119.04886	2.9
121.02809	1.3
122.28018	0.7
123.04417	1.5
125.02309	2.7
125.05972	0.8
133.06393	0.9
133.10109	1.8
134.03590	1.5
135.08031	5.8
137.02318	1.8
143.03365	1.0
145.04962	1.0
147.04337	0.8
148.05159	0.9
149.02361	1.5
149.05972	0.8
150.02977	0.9
151.00291	1.3
151.11108	1.3
153.09111	14.0
157.04967	2.1
159.02901	0.8
160.03960	1.7
161.02412	0.7
161.04533	1.8
161.05968	5.1
163.03860	2.1
163.07533	0.9
164.04724	1.0
165.05402	1.0
167.10680	2.5
175.04004	0.8
176.04559	0.7
177.09094	3.1
179.05563	1.2
179.07042	2.6
180.04250	0.9
185.05928	0.8
190.02600	2.2
193.08647	1.0
195.10165	2.0
197.08157	3.6
203.07048	1.8
205.04921	2.6
221.08159	2.4
223.06042	2.4
235.06041	1.7
239.09068	1.2
239.12837	2.0
245.08011	1.0
247.08235	4.7
263.09250	0.9
265.09274	56.7
266.09564	2.6
269.04538	2.3
270.04846	0.8
271.06073	0.7
283.02493	1.1
285.03854	0.9
289.07181	0.9
299.11383	1.2
367.10059	1.4
401.18069	6.9
402.18372	1.0
427.10229	3.7
427.16040	6.4
445.17047	13.7
487.18082	2.6
517.19324	1.1
547.20178	7.6
607.22424	11.3
608.22449	1.2
649.27417	1.3
675.24591	1.1
693.26013	100.0
694.26324	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	693.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01590	0.8
61.98704	3.0
66.58624	0.2
70.58161	0.9
71.01251	0.6
73.02809	0.4
98.20188	0.5
100.75539	0.3
101.02305	0.4
113.02336	0.3
117.03388	0.3
119.04820	0.3
127.07642	0.3
137.06046	0.3
144.73877	0.3
173.02420	0.4
174.03130	0.3
175.03915	0.4
187.03934	0.3
201.01836	4.8
201.05659	0.3
213.89000	0.2
227.07036	2.3
235.86606	0.2
245.08183	4.4
253.20888	0.3
303.08777	0.6
531.16632	1.8
633.38757	0.3
657.39972	0.3
675.40625	0.6
693.30804	0.4
693.41547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01589	0.9
61.98700	13.1
65.10995	0.4
71.01247	1.0
71.52614	0.9
78.95760	0.5
93.03400	0.5
96.95918	0.6
98.20325	0.7
127.19073	0.4
134.60376	0.4
157.93013	0.4
175.03938	0.8
187.03993	0.9
201.01840	10.8
227.07085	5.4
240.10643	0.5
245.08147	5.8
246.08630	0.6
263.09338	0.8
315.05307	0.6
343.23068	0.8
471.34827	1.1
489.35892	1.5
501.77405	0.6
531.16492	3.7
627.06281	0.6
693.42133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.4
61.98700	100.0
70.58281	0.5
71.01235	0.3
101.02344	0.3
111.31268	0.2
144.04465	0.5
198.09172	0.3
201.01895	0.3
231.10246	0.4
245.08241	0.9
245.10464	0.1
287.08456	0.2
292.09897	0.7
310.21063	0.2
397.19528	0.2
537.21484	0.2
629.30420	0.7
630.31036	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01585	0.7
61.98700	5.6
63.71709	0.3
67.86198	0.3
71.01264	0.5
77.14986	0.3
77.81137	0.2
78.95780	1.9
96.69451	0.3
109.80081	0.3
111.01464	0.3
113.02341	1.0
116.92750	0.3
124.78215	0.3
125.60120	0.3
144.50240	0.3
152.99539	0.7
196.89388	0.4
201.01939	0.8
245.08209	0.7
277.95239	0.3
325.21753	0.5
343.22845	0.3
356.82300	0.3
473.75974	0.3
531.16687	0.6
575.36304	0.8
633.40234	0.8
693.20203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.0
57.01029	0.5
57.03310	1.2
59.01247	39.2
60.99147	0.6
61.98695	5.6
69.03320	0.6
71.01251	15.0
71.52572	1.0
73.02806	5.2
75.00776	0.5
78.20479	0.6
78.95763	0.7
83.01250	2.8
85.02816	6.3
85.06458	13.4
87.00722	1.9
87.04341	1.0
88.98666	1.3
89.02307	1.6
95.01259	0.8
96.95881	1.7
97.02784	0.6
97.06467	1.5
99.00751	1.8
101.02317	11.0
113.02316	5.7
116.92718	1.5
119.04907	2.0
133.56131	0.6
134.10294	0.5
135.04395	1.5
143.03387	1.0
159.02870	1.1
161.04504	3.0
171.10262	0.7
175.03934	0.8
180.63095	0.6
207.10194	2.3
209.11781	0.9
211.13266	1.1
217.04944	1.9
220.14850	0.6
221.15509	0.9
225.11185	1.0
313.03317	0.5
337.10757	2.9
401.34268	2.3
443.35175	0.7
487.33783	1.1
533.31323	1.9
549.33972	0.6
605.40472	1.7
631.38489	1.6
649.40155	1.4
691.40564	100.0
692.40918	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	691.4057
Annotation	Gagunin B
Peak:m/z	Relative Intensity
53.68010	0.3
55.01758	1.0
57.03323	0.9
58.00467	0.4
59.01247	34.0
59.13861	0.3
61.98706	2.7
65.44633	0.3
69.03327	0.4
70.26953	1.0
70.27361	0.7
71.01249	13.2
72.99182	0.5
73.02811	5.0
75.50178	0.3
83.01244	2.8
85.02822	7.2
85.06457	15.5
85.99962	1.2
86.06772	0.4
87.00748	0.7
89.02327	1.9
95.01257	0.9
97.02831	0.4
97.06457	1.1
99.00742	2.1
101.02319	12.3
111.00762	0.5
111.07521	0.5
113.02321	5.9
119.03368	0.5
120.06469	0.4
125.02347	0.5
143.03366	0.7
144.78969	0.4
148.04019	0.4
153.90469	0.4
159.02888	0.4
161.04443	2.1
179.37749	0.3
209.11794	0.5
268.65619	0.4
345.28113	0.5
357.28055	0.5
369.06393	0.4
401.34134	2.8
443.35196	0.6
487.34146	0.5
533.31476	2.2
534.31128	0.4
549.34418	0.5
587.39404	0.5
605.40973	0.9
612.49585	0.4
631.38135	1.1
649.40070	0.9
691.40558	100.0
692.40887	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17554	0.2
55.01751	0.5
57.03305	0.9
58.00450	0.8
59.01249	24.7
60.01588	0.4
61.98701	3.5
69.03321	1.0
71.01248	17.1
71.52451	0.3
72.99179	1.3
73.02814	2.7
75.00738	0.5
81.03328	0.5
83.01254	2.0
83.04888	0.3
83.11223	0.3
85.02821	3.8
87.00753	3.3
89.02315	12.0
91.03877	0.4
93.03329	0.4
95.01242	1.0
96.26308	0.3
96.95850	0.5
97.02833	2.0
97.06473	0.4
99.00751	1.2
99.04371	0.6
101.02318	12.3
103.03909	0.3
111.00755	0.7
111.08024	0.3
113.02326	6.4
113.06830	0.3
119.03389	3.4
120.29450	0.3
121.02843	0.6
125.02332	3.3
125.05980	0.3
131.03366	0.6
133.04977	0.3
134.05994	0.3
139.03877	0.3
141.01775	0.3
143.03421	2.0
149.04457	0.5
161.04463	2.9
163.03865	0.4
171.10184	1.0
179.05536	3.3
179.14339	0.6
183.10167	0.7
183.13756	0.5
185.04514	0.3
195.13837	7.2
196.14285	0.4
199.09541	0.2
201.11305	0.4
203.14429	0.3
205.12291	0.7
205.15843	0.3
209.11710	1.0
211.13351	1.8
217.07062	0.4
221.06573	1.1
223.13339	5.2
224.13847	0.5
225.11172	0.3
228.13557	0.8
231.21135	0.5
235.08141	3.2
245.06726	0.4
253.09291	1.3
256.13083	0.7
263.07690	0.6
265.21826	0.3
269.04556	0.3
275.20139	3.7
287.07626	0.5
293.21204	100.0
294.21512	8.4
305.08740	1.0
305.21194	0.3
323.09781	0.5
397.13477	22.9
398.13815	1.5
415.14542	25.6
416.14938	1.9
469.33679	0.3
631.38300	1.2
632.39001	0.3
649.38861	0.5
654.27460	0.5
691.40894	2.0
692.41901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13089	0.8
57.11307	0.8
59.01251	8.4
61.98702	12.3
69.15324	0.8
71.01249	1.5
71.04880	3.5
71.52613	0.8
71.53070	1.2
73.58689	1.0
83.04888	5.8
87.00742	0.9
87.04382	7.9
89.02308	1.6
96.95868	1.1
98.06771	0.8
101.02299	1.8
119.04899	0.8
120.27418	0.8
121.05357	0.8
125.02302	1.2
145.02866	9.2
146.03604	1.8
147.04456	1.2
151.07501	1.6
157.06494	2.9
161.02327	1.2
171.04443	2.6
172.05148	1.8
173.02353	8.4
173.05992	2.5
174.03111	5.5
175.03905	12.2
177.05501	1.2
183.08102	1.9
187.03880	1.6
189.09142	2.1
199.03989	1.1
199.07590	5.4
200.04730	10.4
201.01892	2.6
201.05476	8.0
201.09087	2.4
203.06956	2.3
205.04996	58.2
206.02133	3.1
206.05356	3.8
212.08318	1.3
213.01936	1.6
215.07019	1.2
216.07820	2.0
225.09146	1.7
227.07076	30.4
227.10666	2.0
228.07468	2.3
231.06595	8.4
232.03671	5.0
233.04472	2.0
235.08150	1.3
241.08694	1.7
241.12323	1.2
243.10245	2.1
245.04451	5.0
245.08141	20.7
246.08466	1.7
253.08664	2.9
258.08905	1.0
259.09717	2.1
259.13440	1.3
260.06799	2.5
271.09760	47.0
272.10150	3.3
276.09958	10.2
277.10544	1.1
285.11288	4.5
293.24829	4.8
299.12698	1.1
301.14487	10.5
303.12262	3.1
329.13928	42.8
330.14203	3.9
361.16559	100.0
362.16940	8.8
397.13409	3.3
401.15994	5.0
415.14056	1.3
551.74713	0.8
655.48370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.6
61.02670	1.8
61.98698	24.5
69.53733	10.7
69.54136	3.5
70.90969	1.7
71.01244	4.7
87.04388	12.5
89.02315	4.2
96.95892	1.6
96.99158	2.5
121.02849	9.4
129.01810	6.1
129.98225	1.8
145.02777	4.2
145.11090	1.5
147.04391	2.7
148.01605	2.8
157.06482	2.4
161.02313	2.6
173.02284	3.7
175.03917	4.9
189.09088	1.6
200.04669	3.5
201.05489	40.6
203.07039	5.3
205.05003	23.1
205.08574	4.1
209.11615	1.7
217.04901	7.1
219.10170	3.1
226.02681	7.9
226.97113	1.7
227.03389	2.7
227.07053	4.6
229.08569	3.8
231.02994	2.2
231.06499	5.1
232.03632	3.4
232.07094	1.8
237.69363	1.7
245.04520	11.8
245.08101	7.6
253.08641	4.2
257.04471	3.4
257.08218	2.5
265.05051	1.8
271.06711	2.5
271.09702	16.8
272.10458	21.7
273.10745	1.9
276.10031	4.0
277.14352	13.1
285.07642	4.7
285.11072	2.5
289.05038	4.3
293.04663	2.0
293.24695	8.4
297.07629	24.6
298.07993	4.1
299.09152	2.8
301.14609	2.4
303.06607	6.5
316.09409	28.7
317.09772	2.1
329.13818	4.0
333.04214	2.1
336.09970	1.7
343.05054	2.0
343.11911	4.0
347.05493	13.7
348.06128	2.9
357.17136	16.5
360.09827	3.9
361.16592	30.6
362.16788	4.2
363.08633	6.1
373.10678	4.4
374.11652	3.1
383.14868	2.2
397.13412	7.7
401.10382	2.9
401.15985	23.6
409.16437	4.6
415.14523	2.2
418.10449	12.5
419.10815	2.6
434.13635	5.3
435.13748	2.0
445.16766	12.1
461.16101	5.2
489.15506	26.8
490.16116	3.4
503.17133	5.7
529.21875	2.8
530.23120	5.1
574.21991	24.4
575.22357	4.8
579.29517	8.6
606.24640	7.5
647.31946	6.9
659.28564	100.0
660.29236	19.2
691.31085	67.5
692.32214	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	691.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18940	0.2
57.03341	0.2
59.00959	0.3
59.01249	4.5
61.98689	0.3
67.01756	0.3
69.28969	1.5
69.29405	0.8
71.01252	1.3
73.02808	0.4
75.00749	0.3
83.01249	0.6
83.04888	0.8
85.02830	0.7
88.19945	0.2
89.02300	0.3
93.03352	0.3
94.02863	3.0
95.04864	0.3
96.95869	0.3
98.02348	0.6
98.19826	0.4
101.02314	0.8
103.03877	0.4
107.03649	0.5
107.04887	0.4
108.04439	2.3
110.05946	0.3
113.02323	0.7
119.04921	0.3
120.04430	1.1
121.02851	0.3
121.05174	0.3
122.06001	10.3
124.03962	1.5
132.04434	1.0
134.03792	0.2
134.06020	1.6
135.06767	0.8
136.03946	4.1
136.07579	11.1
137.04744	0.7
137.07870	0.4
138.05511	2.8
146.06013	0.3
148.03937	0.7
150.05508	12.5
152.07062	3.3
159.05563	0.4
159.11679	0.5
160.03928	0.6
161.04611	0.5
162.05411	0.2
163.03912	0.3
163.08572	0.4
171.08070	0.3
172.07529	0.3
174.09142	0.8
175.05063	0.3
176.03455	0.6
185.07080	0.4
185.09663	0.4
186.04184	0.4
186.09158	3.9
187.09770	0.3
187.11241	0.6
188.10707	0.4
190.04970	1.0
200.10710	0.5
201.06483	3.0
202.07037	1.8
202.08742	1.2
202.10349	0.4
202.10631	0.3
202.12326	2.2
212.10780	1.4
213.06529	0.7
214.07201	1.1
215.08153	3.2
227.08167	0.5
227.11716	0.3
228.10258	4.1
229.09772	15.7
230.11984	10.0
231.11719	1.2
239.08234	0.9
240.09019	0.7
241.09987	0.3
243.11432	0.5
244.08484	1.0
245.09265	6.0
245.12941	1.0
246.09329	0.4
246.11493	0.6
255.11359	4.5
256.09680	0.5
257.09296	8.9
258.09909	1.8
259.10800	1.4
265.09335	0.5
272.11679	0.6
273.12433	24.4
274.10300	0.7
274.13342	1.3
274.28760	0.3
275.10458	2.4
281.09113	0.3
290.12811	0.6
291.13388	0.5
293.09268	0.7
294.10043	0.6
299.10315	0.9
317.11404	16.4
318.11658	1.3
325.11810	0.3
334.11578	1.2
335.12463	100.0
336.12830	7.7
349.13940	2.2
355.12988	2.1
494.15790	0.5
526.18707	0.3
599.20874	0.5
615.24481	0.3
631.23438	0.5
647.25952	0.3
659.23462	0.7
691.26544	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	691.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55140	0.6
56.31524	0.6
57.03314	4.9
58.00462	2.0
59.01245	41.9
60.01588	0.6
61.98719	0.7
69.03339	0.6
69.22021	1.2
69.22421	5.5
71.01247	67.2
72.01585	0.8
72.99184	1.7
73.02814	1.8
73.05148	0.5
82.29032	0.6
83.01273	1.6
85.02817	23.7
86.03164	0.7
87.00764	2.2
89.02309	26.6
93.03371	0.7
95.01272	2.5
96.95889	2.0
99.00789	0.6
99.04364	0.9
100.18313	0.7
101.02317	19.0
103.03883	71.3
104.04198	0.8
111.00769	1.0
113.02325	8.5
118.04876	0.5
119.03381	12.4
121.02843	1.3
131.03387	1.3
135.04414	0.7
143.03426	2.4
145.04962	1.2
149.02353	2.2
153.01906	0.5
157.04953	12.9
158.05257	0.7
161.04457	1.7
163.03835	2.7
165.05478	2.6
179.05550	9.0
181.05115	0.6
190.02664	0.5
191.03433	5.2
205.05058	0.8
209.04529	1.1
219.10190	0.9
245.08128	1.7
247.08182	32.7
248.08502	1.2
263.09192	8.3
264.09717	0.8
265.09256	100.0
266.09573	6.1
269.04486	1.8
281.10205	3.8
326.99792	0.6
335.12347	0.9
423.64557	0.6
511.17899	3.5
529.19171	31.3
530.19287	2.8
571.19696	0.8
601.27576	0.6
691.24402	71.6
692.24780	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	689.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01445	100.0
78.95773	77.4
81.61560	94.5
91.29123	92.2
94.08307	77.8
136.98950	86.6
138.34389	89.6
145.52803	85.8
148.27124	91.4
206.01131	80.6
209.11653	99.7
284.16751	79.1
689.22894	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51628	28.7
56.28816	27.7
59.01237	100.0
61.98673	32.4
67.80129	25.8
71.52499	29.4
103.94851	28.5
117.55647	26.7
117.81418	26.2
123.08158	28.3
195.64246	27.5
238.11345	26.0
391.63251	27.4
571.39807	48.2
689.42834	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76149	0.9
51.56099	1.0
59.01239	3.4
61.98700	32.3
71.01248	1.3
71.53102	1.1
72.56972	0.9
73.02856	1.2
80.96390	2.4
85.52214	0.9
95.95650	0.9
118.36220	0.9
130.21222	1.1
151.89932	0.9
209.11696	2.7
220.86478	1.1
299.04434	1.1
313.83768	1.1
452.15033	3.1
453.15097	1.1
481.14801	6.5
495.16885	16.6
496.16928	2.4
498.16803	2.0
508.17145	1.3
509.18466	1.9
510.18637	1.2
533.76874	1.3
535.16229	1.6
536.17004	1.5
540.16510	2.7
551.19360	34.5
552.19733	10.7
553.19037	1.7
554.19580	5.7
555.19080	1.4
572.15051	2.1
586.16718	2.6
595.18353	3.9
598.19598	1.9
627.20959	100.0
628.21124	28.3
629.21368	1.8
630.21332	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	689.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68366	71.4
58.68977	84.5
65.71094	69.2
65.89606	71.6
68.47647	68.6
79.08158	72.2
91.41776	70.7
96.69617	88.4
112.98566	84.0
150.70253	84.3
160.87485	72.5
163.33119	66.2
174.76305	87.6
228.80377	88.0
271.71698	83.2
279.79291	100.0
343.94229	93.6
667.78156	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.6
57.03311	1.6
58.00462	1.4
59.01252	50.1
61.98701	13.4
69.03316	1.7
71.01254	26.5
71.04916	1.1
71.52847	1.3
72.99182	1.8
73.02821	4.8
75.00732	1.2
78.26553	0.9
83.01260	2.5
83.04902	2.3
85.02811	6.7
87.00749	4.8
88.98656	1.3
89.02312	17.5
95.01267	2.9
95.04875	1.4
96.95896	5.1
97.02834	3.0
99.00756	3.0
101.02322	17.2
101.05923	1.3
103.03899	1.1
109.06484	1.6
111.08038	9.6
113.02318	10.5
116.92728	1.1
119.03396	5.3
119.04924	1.1
121.02779	1.1
125.02329	3.4
125.09624	1.0
125.87447	1.0
134.50270	0.9
143.03397	3.8
147.00937	0.9
161.04442	4.4
163.11180	1.3
163.22603	0.9
167.10641	1.7
171.10181	3.8
173.32204	1.0
177.12753	3.3
179.05470	3.1
179.10735	2.7
194.52527	1.0
195.13866	6.4
197.11749	1.2
199.13261	1.7
201.11314	1.3
207.10220	3.3
209.11803	12.0
210.12178	1.6
211.13341	2.0
215.12798	1.4
225.11285	4.1
227.12848	3.3
235.08212	5.7
247.20610	2.4
253.09305	2.2
273.18604	2.0
287.07739	2.3
291.19650	100.0
292.20026	8.7
361.10736	1.1
397.13461	39.0
398.13901	2.2
415.14514	21.4
416.15179	1.5
443.19611	1.1
485.32971	1.5
629.36420	2.8
630.37543	1.3
634.06274	1.3
685.44232	1.1
689.38257	5.9
690.36499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68999	0.9
57.03293	0.7
59.01251	9.3
61.98684	1.9
69.25149	1.7
69.25555	6.5
71.01259	5.3
82.02827	0.9
83.04871	0.9
85.02825	1.8
87.00728	1.0
88.16866	0.8
89.02307	1.3
91.39045	0.7
94.02852	9.6
96.95914	0.9
97.02843	0.8
101.02349	1.6
106.06484	1.2
108.04417	0.8
108.08073	6.1
113.02325	1.1
121.05219	6.5
124.03866	0.9
125.02361	1.1
134.06020	2.7
135.03145	0.8
136.07573	100.0
137.07913	3.4
138.05470	4.2
151.00197	0.7
152.03477	1.0
153.04248	3.1
160.01315	0.7
163.11145	1.0
167.10933	0.7
171.10164	2.9
181.12315	0.8
183.13864	1.4
191.94620	0.7
199.13307	1.1
201.11171	0.9
207.10216	1.6
209.11778	8.2
225.11183	2.9
227.12819	1.6
235.08739	2.5
237.10275	1.8
247.08302	0.7
249.10275	2.1
250.07501	3.9
251.08179	1.1
252.08963	1.2
253.09447	1.7
262.07452	1.0
263.08295	3.6
264.08954	1.4
265.09796	9.4
275.08401	1.2
276.08948	1.8
277.09760	6.1
278.06976	6.8
278.09860	1.1
279.07660	0.8
290.06708	0.7
291.07767	6.5
292.08560	0.9
293.09299	32.7
294.09659	2.7
305.09314	14.1
306.09958	4.6
307.11035	0.7
325.12054	0.8
337.08353	1.8
342.12894	0.8
370.11880	1.1
372.13208	1.2
374.18790	1.2
381.09821	2.2
384.13586	1.3
386.10864	1.0
386.15112	2.2
397.14066	1.0
398.15164	1.2
399.16013	1.2
402.14694	1.0
404.16113	0.8
412.16898	1.6
413.17517	1.2
414.13577	1.0
414.18622	7.2
415.18765	1.8
426.14557	1.2
430.14426	0.8
432.15552	6.9
440.15985	1.1
441.16843	1.5
442.17679	23.1
443.18109	3.6
444.15500	4.3
456.19437	2.1
458.17255	1.9
464.18408	1.1
468.15720	3.1
469.16504	0.8
474.20151	4.1
486.16666	33.8
487.16943	4.5
488.21802	4.0
489.22592	1.5
501.19083	7.0
518.19061	4.1
519.19763	1.1
532.20801	2.9
533.21417	2.9
553.24725	2.6
563.23370	1.1
581.24005	19.0
582.24286	2.9
613.26752	14.6
614.27167	3.6
625.23029	10.8
626.23053	1.8
645.29504	3.0
657.25598	77.9
658.25922	15.5
689.27954	14.5
690.28534	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	689.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01005	0.5
57.03315	0.8
59.01252	21.7
61.98689	1.0
69.03313	0.8
69.39598	1.2
69.40013	3.0
70.07451	0.6
71.01254	10.8
73.02823	3.6
81.03324	2.5
83.01258	9.2
83.01728	1.0
85.02831	3.5
87.00751	1.3
89.02338	2.9
91.39115	0.5
93.03326	1.4
95.01237	1.6
95.04884	0.9
97.02827	1.5
99.00758	1.0
101.02325	6.2
108.02061	1.2
111.00768	0.9
113.02335	3.5
119.03407	1.0
119.04885	1.3
121.02830	1.5
121.08620	0.4
122.03642	1.1
122.06018	0.7
123.04428	3.4
124.01550	2.6
125.02332	2.7
129.01843	0.5
134.03618	0.6
135.04433	1.1
137.02347	2.6
137.05959	0.6
138.03120	4.0
139.03888	1.1
141.72520	0.5
149.02350	0.6
150.03123	1.5
151.00174	0.6
151.03912	1.0
151.21532	0.6
153.01868	0.7
163.03920	1.0
164.04684	1.8
165.01862	1.2
165.05338	0.6
166.02641	5.0
167.03441	3.2
169.02640	0.5
177.01842	0.6
177.09105	0.5
179.03436	5.5
180.04208	8.0
181.43463	0.5
190.02609	0.8
191.03423	0.8
192.03949	0.6
193.04912	0.7
196.39258	0.5
203.03371	0.6
205.04958	1.7
208.03696	3.2
221.11632	0.5
227.10391	0.6
233.08192	0.8
241.14450	1.2
306.07562	0.6
315.14874	0.6
321.13736	0.6
371.16928	1.1
380.15622	2.1
397.18695	1.4
399.16534	1.8
413.18060	0.6
423.16501	0.9
441.17657	9.6
442.18439	0.9
448.14209	0.7
453.17657	2.1
483.18683	19.4
484.18942	2.3
485.14532	0.7
488.18597	1.0
495.18585	2.0
513.19727	1.4
522.18823	0.9
523.18201	0.6
525.19727	100.0
526.20074	14.1
527.21564	1.0
534.21210	0.6
537.19910	1.5
555.20801	32.7
556.21222	5.1
567.21161	1.4
585.22998	0.7
597.20923	0.6
627.23065	2.6
645.23889	4.2
671.15411	0.8
689.25806	2.3
690.28406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82800	0.5
57.03302	0.6
59.01249	47.3
60.01595	0.5
67.01752	1.4
69.19888	0.4
71.01247	4.6
71.51906	0.7
71.52284	0.5
72.99174	0.6
73.02818	2.5
83.01260	1.1
83.04906	0.5
85.02814	10.4
85.03296	0.9
87.00720	2.2
89.02316	1.3
93.03334	8.9
99.04381	0.7
101.02306	2.4
104.68892	0.5
106.87814	0.4
108.02028	0.6
109.02821	1.1
111.00761	6.6
111.04379	1.2
111.13401	0.5
113.02318	1.5
119.04906	5.7
121.02828	0.5
123.54659	0.4
127.03947	2.2
131.04909	0.8
133.02809	0.8
137.02374	0.8
138.05469	1.3
143.03430	1.4
143.04919	2.5
154.99692	0.6
155.03392	1.2
160.04030	0.5
161.04445	1.4
163.03885	3.8
171.02893	0.7
171.04324	0.6
173.00836	1.5
173.04469	5.5
177.45450	0.4
187.02425	0.9
191.05533	100.0
192.05910	2.8
205.03487	1.5
211.07602	0.5
235.07597	0.6
237.09138	1.8
265.08627	2.8
269.10321	1.5
283.09818	1.5
309.07599	1.4
311.11169	0.8
327.08704	21.7
328.09146	2.1
337.09067	0.7
402.74948	0.5
501.14166	5.2
502.14346	0.9
527.20404	0.7
631.32892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01005	0.5
57.03315	0.8
59.01252	21.7
61.98689	1.0
69.03313	0.8
69.39598	1.2
69.40013	3.0
70.07451	0.6
71.01254	10.8
73.02823	3.6
81.03324	2.5
83.01258	9.2
83.01728	1.0
85.02831	3.5
87.00751	1.3
89.02338	2.9
91.39115	0.5
93.03326	1.4
95.01237	1.6
95.04884	0.9
97.02827	1.5
99.00758	1.0
101.02325	6.2
108.02061	1.2
111.00768	0.9
113.02335	3.5
119.03407	1.0
119.04885	1.3
121.02830	1.5
121.08620	0.4
122.03642	1.1
122.06018	0.7
123.04428	3.4
124.01550	2.6
125.02332	2.7
129.01843	0.5
134.03618	0.6
135.04433	1.1
137.02347	2.6
137.05959	0.6
138.03120	4.0
139.03888	1.1
141.72520	0.5
149.02350	0.6
150.03123	1.5
151.00174	0.6
151.03912	1.0
151.21532	0.6
153.01868	0.7
163.03920	1.0
164.04684	1.8
165.01862	1.2
165.05338	0.6
166.02641	5.0
167.03441	3.2
169.02640	0.5
177.01842	0.6
177.09105	0.5
179.03436	5.5
180.04208	8.0
181.43463	0.5
190.02609	0.8
191.03423	0.8
192.03949	0.6
193.04912	0.7
196.39258	0.5
203.03371	0.6
205.04958	1.7
208.03696	3.2
221.11632	0.5
227.10391	0.6
233.08192	0.8
241.14450	1.2
306.07562	0.6
315.14874	0.6
321.13736	0.6
371.16928	1.1
380.15622	2.1
397.18695	1.4
399.16534	1.8
413.18060	0.6
423.16501	0.9
441.17657	9.6
442.18439	0.9
448.14209	0.7
453.17657	2.1
483.18683	19.4
484.18942	2.3
485.14532	0.7
488.18597	1.0
495.18585	2.0
513.19727	1.4
522.18823	0.9
523.18201	0.6
525.19727	100.0
526.20074	14.1
527.21564	1.0
534.21210	0.6
537.19910	1.5
555.20801	32.7
556.21222	5.1
567.21161	1.4
585.22998	0.7
597.20923	0.6
627.23065	2.6
645.23889	4.2
671.15411	0.8
689.25806	2.3
690.28406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82800	0.5
57.03302	0.6
59.01249	47.3
60.01595	0.5
67.01752	1.4
69.19888	0.4
71.01247	4.6
71.51906	0.7
71.52284	0.5
72.99174	0.6
73.02818	2.5
83.01260	1.1
83.04906	0.5
85.02814	10.4
85.03296	0.9
87.00720	2.2
89.02316	1.3
93.03334	8.9
99.04381	0.7
101.02306	2.4
104.68892	0.5
106.87814	0.4
108.02028	0.6
109.02821	1.1
111.00761	6.6
111.04379	1.2
111.13401	0.5
113.02318	1.5
119.04906	5.7
121.02828	0.5
123.54659	0.4
127.03947	2.2
131.04909	0.8
133.02809	0.8
137.02374	0.8
138.05469	1.3
143.03430	1.4
143.04919	2.5
154.99692	0.6
155.03392	1.2
160.04030	0.5
161.04445	1.4
163.03885	3.8
171.02893	0.7
171.04324	0.6
173.00836	1.5
173.04469	5.5
177.45450	0.4
187.02425	0.9
191.05533	100.0
192.05910	2.8
205.03487	1.5
211.07602	0.5
235.07597	0.6
237.09138	1.8
265.08627	2.8
269.10321	1.5
283.09818	1.5
309.07599	1.4
311.11169	0.8
327.08704	21.7
328.09146	2.1
337.09067	0.7
402.74948	0.5
501.14166	5.2
502.14346	0.9
527.20404	0.7
631.32892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95059	0.6
57.03308	1.1
59.01249	13.4
59.09030	0.7
60.65919	0.7
61.98349	0.7
61.98697	2.9
63.18375	0.6
66.68750	0.7
67.01768	0.7
68.99682	2.3
69.37461	6.0
71.01250	11.0
72.99191	1.5
73.02809	2.8
75.00719	0.6
78.95789	2.3
79.95602	2.1
83.01250	9.0
85.02821	5.0
87.00737	6.0
89.02318	2.0
93.03326	13.2
95.01218	1.1
96.95885	71.0
96.96774	3.5
97.02824	1.0
98.02332	2.5
99.00753	1.9
101.02306	4.5
103.03880	1.2
107.04941	0.7
108.02058	2.0
109.02823	1.8
111.00748	2.1
113.02326	4.1
115.00254	6.2
117.03324	6.9
119.01255	2.3
119.03500	1.0
119.04904	16.1
120.99530	1.7
121.02827	4.9
121.06457	0.9
123.04418	1.1
125.02287	1.2
127.00311	1.0
130.04105	1.3
131.04907	2.6
133.02855	2.1
133.06468	5.0
134.03609	1.0
135.04382	3.1
137.02330	2.0
143.04916	2.7
145.02844	15.9
145.06474	2.4
147.00777	1.0
147.03300	1.5
147.04419	19.8
148.05034	0.7
149.01236	1.0
149.02344	11.4
149.05980	13.0
150.03117	1.1
150.06590	0.7
151.00352	0.7
151.03944	1.1
152.01065	1.5
153.01752	0.8
156.05791	0.8
157.01302	1.4
157.06494	1.5
158.03607	0.8
159.04424	2.7
161.02357	3.2
161.04634	1.1
161.05951	9.0
163.03911	3.6
164.04688	13.0
165.01820	1.3
165.05522	5.4
169.06549	0.8
171.04404	4.3
171.10187	1.1
173.02238	0.8
173.04590	0.7
173.06001	3.5
174.03072	3.4
175.00266	15.7
175.02394	12.0
175.03903	2.8
176.00909	2.0
177.01797	1.3
177.05486	26.7
178.05930	1.8
179.07085	3.9
185.05992	1.2
187.03934	2.9
187.07602	1.6
189.05475	7.5
190.02621	45.7
191.03397	5.6
191.06947	0.7
193.01315	1.6
193.04988	6.9
195.13713	1.1
197.05943	2.0
199.03944	7.4
199.07520	1.6
200.04546	0.9
201.05412	3.5
203.07069	1.5
205.04993	66.8
206.05536	7.3
207.02892	1.8
208.03749	3.4
209.04494	1.1
213.05487	3.4
215.07018	2.1
217.05000	25.2
218.05223	1.1
219.06584	1.0
221.04491	100.0
221.08078	4.8
222.04834	5.9
223.06059	21.4
224.06445	0.8
229.04996	15.1
231.06602	2.7
233.08147	1.4
237.07651	0.9
239.12784	1.3
241.05061	4.0
247.06206	1.1
250.04871	1.3
255.06613	1.1
259.06100	12.8
260.06558	0.8
261.04019	47.3
262.04324	2.0
265.07007	7.9
265.09491	1.3
266.07355	0.8
268.03693	1.0
269.04523	0.9
273.07855	0.9
277.07132	8.1
278.07388	0.8
283.06116	0.7
295.08182	3.0
298.71570	0.9
303.05090	2.6
319.08344	2.0
321.06122	21.6
322.06348	1.4
325.09317	12.5
326.09625	1.3
338.08157	0.8
344.88647	0.7
353.08661	3.5
367.10309	74.7
368.10623	6.8
385.11182	1.1
390.44562	0.8
434.74414	0.8
472.72754	0.7
543.13556	1.0
543.27594	0.8
585.28656	0.9
603.48627	0.9
645.17816	6.6
681.52667	0.7
688.39856	3.3
689.16522	11.7
689.38995	2.0
690.17505	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	689.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10709	0.3
57.03324	0.5
59.01240	2.3
67.01760	3.0
69.03359	0.7
71.01249	2.1
72.99198	0.5
73.02822	0.9
81.03339	0.9
83.04918	1.0
85.02817	10.3
87.00745	2.0
93.03331	17.8
94.17942	0.3
96.95903	0.5
96.99223	0.4
98.19775	0.8
99.04409	0.4
101.02420	0.5
103.03871	0.4
108.02065	0.5
108.43960	0.3
109.02863	1.2
111.00754	10.4
111.04388	2.6
112.56744	0.3
113.02296	0.7
117.03340	0.9
119.04905	12.8
119.05737	0.8
120.05284	0.5
127.03864	1.9
129.01814	1.0
131.04893	0.6
137.02342	2.1
143.03369	2.3
143.04915	3.0
144.05202	0.5
145.02873	0.5
145.06429	0.3
152.96187	0.4
153.01793	0.5
154.99763	0.9
155.03397	2.6
160.03967	2.2
163.03902	6.3
164.04468	0.4
169.01353	2.2
171.02959	0.4
171.04434	0.4
173.01065	2.2
173.04463	45.2
174.04826	1.0
187.02428	2.3
191.05530	100.0
192.05864	3.8
205.03397	0.7
211.07579	1.2
214.14241	0.3
221.09746	0.4
229.40271	0.3
235.07664	0.4
236.76770	0.4
237.09154	2.4
239.10750	1.1
265.08670	4.0
269.04434	0.4
283.09723	3.6
309.07648	1.1
327.08716	43.6
328.09009	4.2
337.09372	1.7
366.08258	0.7
372.12064	0.4
390.08154	0.8
501.13889	5.1
502.13907	0.7
689.22382	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	689.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.3
59.01244	2.2
61.98687	0.3
67.01754	1.7
69.03316	0.3
71.01247	2.5
71.52162	0.4
72.99168	0.6
73.02814	1.0
75.00735	0.3
80.02575	0.3
80.92387	0.3
81.03314	0.8
83.01243	0.7
83.04881	0.3
85.02821	9.8
87.00745	1.9
87.77915	0.2
89.02321	0.6
93.03331	10.4
94.03657	0.3
95.01266	0.4
96.95911	0.3
99.00753	0.6
99.04403	0.7
101.02341	1.1
106.04166	0.3
107.05025	0.2
108.02061	0.7
109.02847	1.1
111.00758	8.8
111.04404	2.6
113.02352	0.8
115.03927	0.3
119.03541	0.4
119.04909	10.6
119.55047	0.3
120.05232	0.5
121.02826	0.6
123.04393	0.3
125.02323	0.4
127.03900	1.7
129.01830	0.7
131.07056	0.6
132.05614	0.3
133.02849	0.4
137.02342	1.4
143.03413	2.7
143.04939	1.4
145.02829	0.4
145.06485	0.7
151.03822	0.4
152.00951	0.3
153.01875	0.4
154.99754	0.4
155.03394	2.0
160.03917	0.6
163.03918	7.8
164.04251	0.3
164.97063	0.3
169.01311	0.3
171.02916	0.6
173.00841	1.2
173.04463	32.2
174.04773	0.9
187.02420	3.0
191.05530	100.0
192.05893	3.2
193.04996	0.3
205.03423	0.4
205.05212	0.3
211.07581	1.5
229.08664	0.3
233.11128	0.3
234.46309	0.3
235.07799	0.4
237.09134	4.3
239.10709	1.4
243.07907	0.2
253.08636	0.4
265.08743	1.8
283.09747	7.2
284.10016	1.0
309.07651	0.6
327.08713	43.4
328.09085	4.1
328.12692	0.5
337.08755	0.8
416.08243	0.3
422.41302	0.3
483.18369	0.4
501.13992	9.1
502.14224	1.4
526.04639	0.3
527.20795	0.9
689.24500	0.9
690.24200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25823	0.3
57.03316	0.5
59.01253	1.7
59.29260	0.3
63.04870	0.3
64.51160	0.3
67.01768	0.8
69.03339	0.4
71.01253	1.7
71.01863	0.3
73.02802	1.0
80.96791	0.3
81.03334	0.3
83.04871	0.6
85.02824	8.7
87.00736	1.9
89.02328	0.3
93.03336	6.7
94.03658	0.3
96.95905	0.4
96.99193	0.5
99.04408	0.5
101.02334	0.4
108.01984	0.3
109.02840	0.9
111.00745	2.5
111.04400	1.0
113.02347	0.4
115.35934	0.3
119.04913	7.9
120.05261	0.5
121.02840	0.4
123.04445	0.3
124.86998	0.3
127.03924	1.6
131.04927	0.8
133.02866	0.8
137.02347	0.6
143.03374	0.8
143.04950	2.1
145.02817	0.6
160.03923	0.3
163.03915	7.5
171.02899	0.8
171.04364	0.4
173.04454	2.9
177.05640	0.3
184.59178	0.3
187.02391	0.7
191.05533	100.0
192.05876	3.6
202.42891	0.3
211.07619	0.8
221.09822	0.4
235.07480	0.5
237.09222	0.9
239.10806	0.6
265.08722	4.4
266.09024	0.3
278.41998	0.3
283.09839	1.4
309.07635	0.9
327.08716	23.0
328.09018	2.6
337.07834	0.4
363.04730	0.3
501.13947	3.8
529.47095	0.3
611.82098	0.3
689.25098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3959
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
57.03319	1.5
59.01247	17.1
61.98708	3.0
71.01252	9.1
71.52674	1.1
73.02810	2.5
79.95577	0.7
83.01250	1.3
85.02818	4.5
87.00732	0.8
87.04352	0.9
89.02306	6.2
93.03338	1.1
94.97954	3.8
95.01245	0.8
96.00770	0.8
99.04385	1.6
101.02316	5.4
103.03829	0.9
107.04922	0.9
108.02014	3.6
109.02837	1.7
111.00764	1.1
113.02336	5.3
116.92731	2.3
119.03395	1.9
119.04917	1.8
121.02840	1.5
123.04371	1.0
125.02343	0.7
134.03610	0.7
135.04382	0.9
135.08011	1.2
136.05099	0.8
137.02342	1.6
137.05984	1.0
137.09561	0.9
149.02313	0.8
149.05957	4.5
149.09695	0.7
150.06763	37.0
150.97855	0.6
151.00253	1.0
151.07321	1.6
152.01086	4.0
153.01805	1.1
161.02374	0.7
161.04439	2.0
162.06772	0.8
163.03806	0.9
163.07556	7.3
163.11191	0.6
164.08316	6.7
177.09079	0.8
178.09897	2.0
179.05530	1.7
179.10684	17.9
180.11076	0.8
193.45920	0.7
205.04932	0.9
223.06113	1.0
241.14444	0.7
265.09241	1.5
268.03693	0.8
269.04379	1.5
283.06125	0.7
343.24960	1.7
345.22766	4.0
346.22986	0.9
368.20444	0.6
400.33621	0.6
420.63629	0.8
461.32581	0.9
464.31326	5.3
478.32828	1.5
479.33673	8.8
506.32312	1.9
507.33078	1.9
524.33447	2.9
525.21716	1.1
525.34277	28.7
526.34570	4.1
687.39563	100.0
688.27728	1.6
688.39771	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	687.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28981	0.6
57.03312	2.0
58.00435	0.9
59.00959	1.0
59.01249	19.1
61.98698	6.0
69.03350	0.8
69.32325	5.7
71.01256	11.8
71.04891	0.8
72.57075	0.5
72.99179	1.9
73.02809	4.8
73.57789	0.5
75.00730	1.5
83.01253	3.3
83.04896	0.9
85.02821	8.5
87.00737	2.2
87.04385	1.2
88.73339	0.6
89.02318	4.8
93.03320	2.5
95.01250	1.5
96.95870	1.8
97.02804	0.8
98.19810	1.3
99.00738	2.7
99.04397	0.9
101.02314	6.1
103.03892	2.7
107.04901	1.4
108.02052	6.5
109.02852	3.4
111.00036	0.5
111.00754	2.5
111.04359	1.2
113.02308	5.2
113.05922	0.7
113.99480	1.4
114.41288	0.7
115.03853	1.0
115.38136	0.6
116.92696	1.1
118.98042	0.7
119.03372	2.1
119.04920	2.4
121.02831	2.7
123.00750	1.0
123.04398	2.1
123.08038	0.9
125.02318	2.3
129.01794	1.5
134.03587	0.8
135.04388	1.5
135.08049	2.2
137.02318	2.3
137.05962	0.7
137.09581	0.6
143.03427	0.7
149.02357	2.5
149.05969	3.0
149.09662	1.1
150.03137	1.0
150.06763	24.3
151.00221	2.9
151.03922	1.0
151.07213	1.0
152.01067	8.8
153.01898	3.6
153.09090	0.9
156.00549	1.2
160.03957	1.7
161.02290	0.9
161.04358	1.8
161.09653	1.0
162.06790	0.9
162.42770	0.6
163.03854	1.3
163.07545	10.9
163.11148	0.6
164.04662	0.8
164.08316	4.6
165.01869	0.9
165.05440	2.0
165.12769	0.8
167.03458	3.0
167.10619	0.7
171.10153	0.9
174.01636	1.6
175.00388	0.9
175.03848	0.8
177.09090	1.4
178.09872	0.9
179.03314	0.8
179.10690	12.9
190.02617	1.9
191.03310	1.0
193.04947	0.8
195.06537	1.2
201.11154	0.6
205.04962	2.2
209.11847	1.6
217.05203	0.6
223.06116	0.9
241.14470	0.7
255.02783	0.7
265.09256	3.7
269.04422	2.1
271.06235	1.5
273.14597	0.6
285.03912	1.3
286.66418	0.6
289.14417	1.1
301.20001	0.7
315.07111	1.2
315.21640	1.3
343.24878	2.9
345.22821	4.1
417.83194	0.7
462.33401	1.0
464.31372	3.1
478.32773	3.0
479.33914	5.2
495.33118	0.8
506.32269	4.1
507.18399	1.1
507.32956	2.8
524.33594	8.7
525.20490	2.9
525.34259	21.2
526.34698	2.7
583.27209	4.8
627.22736	1.3
651.33411	0.6
687.27301	8.9
687.39563	100.0
688.28143	2.2
688.39935	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	687.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99817	1.4
55.31511	1.4
57.03305	7.0
59.01242	3.1
66.46021	1.7
71.51556	2.6
73.02788	1.8
83.04883	4.2
85.02834	7.8
99.08027	2.2
102.14382	2.0
123.00699	1.5
149.09627	2.2
150.03181	2.1
151.11217	2.4
163.11160	3.0
165.05418	1.7
165.12730	1.7
169.12250	5.6
177.12749	1.8
195.13841	100.0
196.14200	3.6
197.81715	1.8
210.52431	1.8
233.47966	1.5
255.16023	10.3
256.16245	1.8
299.14969	11.4
314.44846	2.0
657.10089	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	687.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	6.0
59.01242	17.6
61.98686	5.6
71.01250	35.3
73.02804	5.1
75.00739	1.5
82.63696	1.2
83.01238	3.6
85.02839	10.0
87.00726	2.7
89.02322	6.7
93.03324	5.8
95.01242	1.8
95.04901	6.7
96.77165	1.1
97.02780	1.2
98.19746	1.9
99.00757	1.6
101.02309	7.8
103.03205	1.8
103.03888	29.1
103.08159	1.2
106.04131	2.4
107.04903	1.5
108.02009	4.3
109.02794	4.3
111.00719	2.7
113.02325	5.4
119.03384	1.5
119.04897	8.4
121.02840	7.3
123.00681	1.7
123.04411	3.2
125.02320	2.9
126.62804	1.2
136.05147	1.8
137.02322	4.8
137.05974	1.2
138.05423	1.2
145.02774	1.6
147.53699	1.1
147.56395	1.3
149.02345	14.0
150.03084	2.4
151.00304	1.3
151.03891	4.7
152.01036	2.9
153.01840	1.5
157.04919	2.5
159.08052	1.9
160.03940	2.2
161.04448	2.1
161.05867	1.4
161.09720	1.3
163.03911	6.5
164.04675	18.8
165.05392	4.3
173.09630	1.4
175.11176	10.2
177.05502	2.0
177.09125	3.3
183.08153	2.3
185.05989	1.9
190.02556	2.4
192.04111	1.4
193.04892	1.4
196.03709	17.4
201.09132	21.0
203.06905	1.6
205.05048	3.0
205.08612	3.3
217.08638	5.7
219.10210	3.3
223.05901	2.2
229.31941	1.3
233.11777	97.6
234.12022	6.0
239.13139	1.3
241.08607	4.4
245.08112	21.1
246.08556	2.1
257.11691	2.0
259.09729	24.3
260.10040	1.5
261.04126	1.3
265.09268	8.2
269.04391	1.9
271.05908	1.3
277.10806	59.6
278.11060	5.8
279.64685	1.1
291.12305	1.9
301.10901	7.2
303.15808	2.1
319.08182	2.8
319.11829	11.8
439.15994	2.9
493.16891	5.1
507.18686	41.4
508.19193	6.9
521.07953	1.5
525.19684	100.0
526.20007	14.5
567.20978	1.8
644.23157	1.5
687.24988	82.1
687.34509	4.1
688.25134	15.1
688.35620	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	686.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07178	0.5
58.02847	17.5
59.01249	18.9
67.55353	0.4
68.63869	0.4
69.37347	4.1
70.02853	4.7
71.01243	4.0
72.00779	2.8
73.02805	1.9
74.25580	0.4
83.01246	0.5
85.02834	1.0
85.65282	0.4
89.02307	1.7
91.05411	1.8
93.19099	0.4
101.02338	2.2
113.02325	2.5
119.03425	1.0
135.04364	0.9
147.04414	18.4
147.71297	0.5
148.04819	0.8
153.01862	0.4
156.67337	0.4
160.03926	1.3
161.04422	0.6
164.07076	57.9
165.07483	2.1
181.51988	0.5
187.13332	1.5
187.50053	0.5
206.08156	100.0
207.08470	5.1
220.64658	0.4
250.07191	0.6
326.68762	0.4
331.17615	6.9
332.17868	0.6
349.18680	3.4
391.19641	6.9
392.20081	0.7
447.60623	0.5
697.71405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	10.4
69.32220	1.2
69.32629	5.1
69.40517	0.7
71.01252	4.7
73.02814	1.5
81.39104	0.6
85.02815	2.0
87.00768	1.5
95.01289	0.9
97.02788	0.7
99.00757	1.6
101.02302	2.5
106.04099	1.3
108.02002	0.6
113.02337	1.2
121.02843	0.9
125.02312	0.9
134.03612	1.7
136.86377	0.6
143.03352	0.7
145.06464	0.6
158.90370	0.7
164.75771	0.7
173.37448	0.6
175.11192	1.9
187.11179	2.1
191.01968	0.7
203.03497	0.6
205.12251	5.2
233.11748	3.6
247.13387	0.9
249.11214	1.4
258.11438	0.8
259.13315	0.7
349.16473	2.7
367.17584	5.3
375.14420	1.1
391.17609	1.5
393.15433	3.3
409.18451	0.7
411.16650	1.0
420.16519	3.0
435.16571	9.3
436.16733	0.9
438.17639	4.3
462.17670	14.7
463.18188	1.8
480.18726	100.0
481.19070	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	685.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	3.1
59.01249	17.6
61.98679	4.0
71.01253	9.6
71.53036	1.2
72.99163	1.8
73.02810	3.3
81.03330	1.8
83.01241	3.4
83.04903	1.3
85.02814	8.0
87.00741	3.9
88.98682	2.5
89.02309	3.5
93.03342	2.1
94.35852	0.8
95.01250	1.3
95.04867	0.9
96.95878	1.9
97.02802	1.1
97.06444	1.0
99.04433	1.2
101.02303	5.2
106.04102	0.8
108.02061	5.1
109.02834	2.9
111.00815	0.8
111.04397	1.4
113.02323	3.0
119.03373	2.3
119.04919	2.2
121.02876	1.9
123.04399	3.2
123.08025	2.0
126.49210	0.9
127.49979	0.9
135.04410	0.8
135.07999	1.2
137.02327	2.3
143.03421	1.0
149.02348	2.0
149.05966	3.1
150.06764	19.8
151.00253	1.4
151.03859	0.8
152.01024	4.2
153.01746	1.4
157.08643	1.9
161.04396	1.3
163.03877	2.2
163.07553	8.7
164.04669	2.3
164.08318	2.9
165.05386	1.4
166.02612	6.7
167.03265	1.3
175.00308	1.1
177.01799	0.9
178.09795	1.0
179.03418	6.9
179.10690	10.5
180.04144	3.1
190.02585	1.3
191.03409	11.6
192.03941	1.7
193.05113	1.2
201.09026	0.9
205.05009	5.5
209.11859	1.2
219.06514	1.5
220.07324	2.3
223.06133	2.2
229.10745	2.7
241.14397	3.3
259.17096	1.0
269.04633	1.2
275.16251	1.4
277.14368	2.6
299.18762	1.1
301.14465	2.2
303.15912	3.5
319.15482	62.1
320.15875	5.7
335.21951	1.0
341.23340	2.4
343.15506	7.9
343.21262	3.4
344.15652	0.9
354.32504	0.9
361.16501	1.4
364.22296	1.1
392.76266	1.0
404.67230	0.8
462.29755	1.0
463.19424	1.1
476.31360	0.9
477.32013	3.6
481.20721	11.0
482.21255	2.0
504.30945	2.6
505.31442	1.8
522.32013	7.9
523.21759	20.1
523.32672	17.0
524.21796	3.8
524.32965	3.6
534.33606	0.9
553.51831	0.8
601.45990	0.9
685.25305	6.9
685.37994	100.0
686.26007	1.3
686.38483	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.38
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26030	0.3
57.03311	0.7
59.01250	5.9
61.98701	2.6
69.50179	2.3
71.01250	2.6
71.04875	0.4
72.99171	0.5
73.02815	1.1
81.03330	0.4
83.01250	0.9
85.02810	2.1
87.00736	1.1
89.02320	1.2
93.03329	0.5
95.01274	0.5
96.95865	0.5
97.06425	1.1
98.20592	0.6
99.00761	0.5
99.04375	0.6
101.02299	1.4
107.04913	0.3
108.02036	0.4
109.02808	0.5
111.04379	0.4
113.02325	1.0
119.03384	0.4
119.04910	0.6
121.02842	1.3
123.04380	1.0
123.08052	1.7
135.08003	0.7
136.05185	0.6
137.02347	0.8
137.05960	0.4
137.09590	0.6
149.05984	1.7
150.06766	33.6
151.00226	0.5
151.07240	1.2
152.01024	0.9
161.04417	0.4
161.09615	0.7
163.03960	0.4
163.07549	6.3
164.04668	0.7
164.08330	5.4
165.09013	0.5
166.02611	1.0
171.10097	0.4
176.08234	0.6
177.09125	0.8
178.09897	1.5
179.03375	1.2
179.10687	16.9
180.11003	1.0
187.09615	0.5
190.02467	0.4
193.04973	0.4
193.08641	0.4
205.05003	0.6
229.10837	1.0
233.08238	0.4
241.14345	0.4
253.05176	0.7
254.05513	0.4
265.09265	0.4
292.20428	0.6
299.18558	0.4
303.16003	0.6
306.18216	0.8
319.15472	4.3
320.15942	0.5
320.20010	1.1
335.22156	1.1
341.23346	0.5
343.15137	0.5
343.21179	4.5
364.22659	1.7
441.30106	0.6
444.28671	0.5
459.31073	1.2
462.29678	1.9
463.19839	0.6
463.30463	0.6
477.32147	5.5
478.32196	1.1
481.20773	1.1
504.30850	1.0
505.31775	2.0
522.31824	2.0
523.21802	5.2
523.32690	24.0
524.22772	0.7
524.32892	3.7
565.23022	2.3
595.23956	0.7
685.38000	100.0
686.38342	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	685.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40814	0.3
57.03314	1.0
59.01242	5.3
60.99184	0.4
61.98686	1.3
69.03341	0.5
69.24737	4.2
71.01252	2.9
72.99186	2.6
72.99512	0.5
73.02817	0.8
79.88725	0.3
81.03321	0.9
83.01247	1.8
85.02813	1.7
86.74958	0.4
87.00726	2.1
88.98684	3.5
89.02310	1.7
91.00234	0.8
95.04877	0.5
96.95903	0.5
97.06454	0.5
98.20528	0.7
99.04382	0.6
101.02312	1.3
108.02014	0.6
109.02886	0.5
113.02312	1.2
113.06017	0.5
119.03424	0.5
123.04371	1.2
123.08022	1.6
125.02328	0.6
135.04404	0.4
135.07999	0.5
136.05223	0.5
137.05946	0.8
149.02345	0.6
149.05965	1.4
150.06766	22.6
151.00200	0.5
151.04008	0.4
151.07175	1.1
153.09073	0.6
157.08588	0.8
161.04472	0.7
161.09601	0.4
163.03908	0.5
163.07547	7.1
164.04639	0.8
164.08305	3.7
166.02625	2.3
167.03267	0.5
176.08380	0.4
177.09093	0.5
178.06349	0.5
178.09911	1.1
179.03395	4.2
179.10686	11.2
180.04121	0.6
180.11002	0.9
186.30725	0.5
191.03387	1.8
192.04144	1.0
192.99567	0.5
205.05014	0.5
208.01898	1.1
223.04182	1.6
229.10745	1.3
233.08153	0.5
277.14380	1.9
285.07584	1.2
299.18579	0.9
306.18332	0.4
319.15460	34.5
320.15811	3.5
320.19812	1.1
329.07224	0.6
330.71802	0.4
335.22150	1.2
341.23340	1.4
343.15567	3.4
343.21204	2.8
361.16565	1.1
364.22552	1.1
367.10312	0.5
403.10638	0.5
441.29953	0.6
444.28491	0.7
459.31238	0.9
462.29926	1.3
463.19516	0.9
463.30356	0.5
476.31476	1.4
477.32114	4.0
478.32300	0.8
481.20685	6.7
482.21011	1.0
491.12341	0.7
500.22864	0.4
504.30817	2.0
505.31479	2.3
521.30450	0.4
522.31989	5.3
523.21790	4.9
523.32690	18.8
524.21954	0.7
524.32574	2.5
593.19104	0.8
625.36261	0.5
685.37994	100.0
686.38324	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	685.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	7.6
57.08713	0.7
59.01239	2.9
60.89008	0.7
64.54800	0.7
69.85339	4.6
70.94827	0.8
71.01245	2.7
73.02822	2.2
80.96379	1.0
83.04891	4.2
85.02822	6.9
85.06468	1.3
86.26070	0.9
87.00749	1.1
99.04391	1.0
99.08040	0.9
110.89639	0.8
113.02313	1.4
123.08038	1.5
137.09575	1.3
139.11147	1.6
149.09566	2.1
151.11147	2.4
155.10680	1.2
161.09616	0.8
163.11166	2.6
165.12819	1.2
169.12233	6.2
195.13835	100.0
196.14172	5.2
209.15350	1.3
213.15045	1.5
217.03467	1.0
253.07085	0.8
255.15984	9.6
257.13840	1.5
289.45398	0.8
299.15018	13.1
341.10721	1.2
423.12839	0.8
521.11194	1.0
597.18420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.4
58.19642	0.6
59.01251	4.8
69.90718	2.5
71.01254	9.8
73.02811	3.6
75.00745	1.0
75.57227	0.5
81.03339	2.0
83.01255	1.9
83.21655	0.6
85.02822	7.3
87.00712	1.0
89.02312	1.7
93.03309	1.5
95.01268	3.4
96.69965	0.5
97.02811	1.4
98.19890	1.0
99.00750	1.4
101.02320	4.0
108.02048	56.7
109.02847	30.9
109.03613	1.0
110.03143	0.9
111.00767	1.1
113.02336	4.3
119.04914	1.0
121.02814	2.2
123.00761	2.1
123.04362	1.8
124.34856	0.6
125.02297	1.1
133.02795	0.8
134.03668	0.5
135.00777	3.0
135.04375	1.5
137.02289	1.5
148.38246	0.6
149.02347	2.9
150.68352	0.6
151.03886	5.3
152.01051	60.3
153.01839	21.7
154.02257	0.7
159.02843	0.9
160.03918	0.9
161.04424	2.3
163.03885	2.7
164.04590	0.6
165.01805	1.3
165.05438	2.4
166.06236	1.7
167.03406	2.6
169.01318	1.6
177.01845	2.1
178.02689	0.8
181.04916	0.9
191.03357	1.0
192.04156	1.9
193.04967	1.8
195.02945	3.8
197.15308	0.7
207.06567	1.1
210.05177	1.9
211.05983	1.7
215.51004	0.7
225.07605	6.8
241.14398	1.2
253.07144	0.7
265.09256	0.6
279.76294	0.6
281.24249	0.6
315.07175	9.9
327.08578	1.2
357.07980	1.4
523.14423	17.5
524.14935	2.2
573.33344	0.7
685.19690	100.0
686.20050	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	683.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	56.4
60.01586	0.6
61.98703	3.8
66.20863	0.3
71.01254	0.6
72.99185	0.6
73.02829	0.9
75.00739	2.0
91.05424	1.1
101.02341	0.4
117.03343	100.0
118.03666	4.1
121.02809	0.4
135.04417	0.9
144.78465	0.4
165.64597	0.4
171.10133	0.6
228.05527	0.4
387.28735	0.5
399.29269	0.7
447.30963	1.3
448.30640	0.5
491.31833	1.6
505.33676	0.9
517.33234	2.8
518.34045	0.5
529.33112	0.6
535.33862	0.5
547.33960	0.8
565.35297	58.6
566.35632	11.5
605.37537	0.5
623.39490	29.8
624.39832	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	683.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82163	0.7
58.50797	0.5
59.01249	58.2
61.98700	2.4
62.33946	0.6
70.20879	1.9
71.01252	1.5
71.33762	0.5
73.02824	1.2
84.96275	0.5
85.02839	0.7
87.04396	0.6
91.05405	0.5
97.06425	0.9
101.05996	0.6
103.32899	0.5
114.12125	0.5
117.03345	100.0
118.03689	3.4
126.30936	0.6
135.04472	0.6
152.99567	0.7
153.77911	0.5
171.10181	0.9
244.93674	0.6
258.81116	0.6
305.85303	0.5
387.25278	1.5
387.29477	1.0
405.26254	0.9
447.31342	0.8
463.60223	0.5
491.31903	2.4
505.33069	1.5
517.33002	2.5
535.34210	0.6
550.01501	0.6
565.35315	59.5
566.35681	9.1
623.40039	25.7
624.40302	5.3
642.66370	0.6
659.38733	0.6
683.27106	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	683.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23206	0.9
57.03314	4.8
57.27713	0.9
59.01240	7.2
61.98698	13.5
71.00922	1.9
71.01265	4.7
83.04872	1.7
85.02824	1.2
87.00742	2.0
87.04384	2.0
97.06459	14.4
97.49905	1.0
101.02306	4.3
113.02310	1.3
120.01134	1.4
123.08045	8.2
125.09606	85.1
126.09930	3.0
134.03549	1.3
161.02347	20.4
161.04416	2.4
162.02675	2.7
169.08560	2.3
173.06111	1.5
174.03107	1.7
175.03931	5.3
187.09673	33.4
188.10028	1.7
201.05510	6.4
202.05785	1.2
206.02153	1.7
216.09990	1.2
227.07230	1.2
235.08176	2.8
245.08145	5.0
246.08586	1.8
253.09203	3.2
277.21716	39.4
278.22064	4.2
316.63474	1.1
405.17667	5.9
423.18402	6.1
623.76190	1.2
641.96655	1.1
645.30591	12.8
646.30988	3.8
647.31104	3.4
683.40076	100.0
684.40247	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37534	0.9
57.03331	4.2
59.01252	7.1
61.98704	3.2
71.01247	7.0
71.52894	1.4
75.72243	0.9
79.52502	0.8
80.22650	0.8
85.02800	0.9
85.17017	0.8
88.35368	0.7
89.02319	3.7
91.15529	0.9
97.06468	12.1
101.02314	3.9
111.92747	0.9
113.02328	2.4
119.03373	1.2
123.08057	7.1
125.09609	100.0
126.09917	3.0
127.32710	0.8
143.10657	2.3
169.08617	2.4
179.05582	1.0
182.20284	0.8
187.09673	67.5
188.10022	3.0
253.09222	1.6
261.13297	1.4
277.21710	15.5
305.93362	0.8
405.17636	5.6
423.18716	15.2
424.18881	1.5
445.16565	0.9
615.97125	1.0
683.40051	99.4
684.40344	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	683.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25075	0.7
54.06365	0.7
54.52137	0.8
55.01736	1.1
57.03323	1.6
59.01247	50.3
61.80833	0.7
61.98694	7.8
69.03315	0.8
70.35577	0.8
71.01249	14.6
71.52944	1.5
72.99175	1.2
73.02806	3.6
75.00729	0.8
83.01234	1.7
83.04873	1.2
85.02831	3.9
87.00748	5.7
87.04389	0.9
89.02318	4.8
93.03313	1.0
95.01272	2.0
97.02824	1.2
99.00764	1.3
101.02329	8.1
109.06476	2.3
111.00711	1.4
111.08017	1.8
113.02299	5.2
115.03821	0.9
119.03404	1.3
119.04989	1.0
121.02800	1.4
124.51492	0.9
125.02306	1.5
129.01804	1.1
133.06462	1.2
135.08002	1.8
137.48135	0.9
145.04939	3.1
161.04417	3.2
171.10179	12.7
179.05484	0.9
203.14336	1.2
211.13232	1.4
213.14815	1.3
231.17514	0.9
235.08185	6.6
239.16364	2.0
247.16913	1.0
253.09178	1.3
275.16501	1.1
277.21487	1.1
293.21198	3.9
315.26819	2.2
325.25259	5.3
341.10812	0.9
341.24680	2.3
343.26547	5.7
351.23221	3.0
359.25812	7.8
360.26343	1.4
361.27478	1.8
369.24371	9.7
377.26547	1.1
387.25406	31.6
388.25613	3.7
405.26389	24.1
406.26645	2.8
479.30200	1.4
595.34851	1.5
605.33667	1.5
623.34259	100.0
624.34534	19.2
683.27112	1.0
683.40430	1.0
688.06598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	4.5
58.00466	0.9
59.01245	21.3
61.98700	1.8
70.36532	0.2
71.01250	18.2
71.04904	0.4
72.01573	0.4
72.99178	1.4
73.02826	1.6
75.00764	0.6
76.83968	0.3
77.25674	0.3
77.63801	0.3
81.03312	0.3
83.01265	1.3
85.02819	18.5
87.00735	1.4
87.04379	0.3
89.02313	11.4
93.03328	0.5
95.01250	1.1
96.95882	0.4
97.02784	0.4
99.00742	1.2
99.04396	0.8
99.82229	0.3
101.02317	10.4
101.05995	0.3
103.03886	41.6
104.04205	0.4
106.04119	14.7
107.04922	7.4
108.02034	0.5
112.85484	0.3
113.02325	6.5
117.05467	0.4
119.03387	5.6
119.04896	2.9
121.02818	1.4
123.00714	0.3
125.02332	0.7
131.03391	0.5
134.03630	0.7
137.02335	0.5
138.03113	3.4
143.03351	1.0
145.04967	1.4
146.07275	0.5
147.08049	0.4
149.02332	0.9
150.03136	0.7
151.00310	0.7
157.04987	1.0
158.63693	0.4
159.08041	1.8
161.04468	1.1
161.09631	2.5
163.03954	0.6
164.04752	0.4
179.05518	1.2
182.02107	0.7
195.06526	0.4
203.07060	2.7
229.04967	1.2
229.15933	21.5
230.16309	1.6
231.13718	0.6
247.08220	0.9
257.15503	0.4
265.09265	71.8
266.09601	2.9
269.04599	0.4
271.17114	0.8
272.14249	1.0
273.14938	54.4
274.15302	5.1
285.14957	1.3
287.16583	1.9
315.15973	27.1
316.16245	2.8
345.17142	2.3
357.16644	0.5
375.18091	17.4
376.18512	1.5
397.16696	0.3
417.19211	2.0
418.19678	0.4
435.20212	0.9
447.31219	0.5
461.28497	0.5
477.25095	0.5
503.22836	15.2
504.22974	2.6
521.23877	100.0
522.24213	15.3
563.25220	1.3
575.59302	0.3
609.36383	0.7
623.31671	0.5
682.38928	0.4
683.29089	59.1
683.38171	3.2
684.29443	13.4
684.41333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	4.7
58.00464	1.0
59.00959	0.7
59.01246	13.5
61.98686	2.1
70.85840	1.4
71.01253	12.5
72.01550	0.6
72.99174	1.3
73.02816	2.9
74.83454	0.5
83.01257	1.3
83.04903	0.7
85.02823	13.7
87.00726	1.7
89.02326	3.9
93.03305	1.2
95.01266	0.7
95.04860	0.7
95.47771	0.5
97.02789	1.0
97.06470	2.6
99.00720	0.6
99.04362	0.7
101.02321	6.9
103.03889	35.9
104.04179	0.8
106.38115	0.5
107.01239	0.5
108.02042	2.8
108.02660	0.5
109.02811	1.9
111.00763	1.2
113.02329	3.8
119.03391	1.5
119.04890	1.1
120.99470	0.7
121.02855	1.2
123.04395	2.4
123.08022	1.3
125.02335	1.0
125.09611	33.3
126.09908	0.9
137.02319	2.0
139.07504	0.6
143.03300	0.7
149.02377	2.5
149.06001	0.6
149.09587	0.8
151.00269	0.8
152.01035	2.9
155.10658	1.2
157.04974	1.5
161.04475	0.8
161.20613	0.5
163.03946	0.9
165.05455	0.7
167.10701	3.6
169.08629	1.0
183.10153	1.0
187.09682	51.0
187.94969	0.5
188.09988	1.9
190.02608	0.8
201.11227	5.8
205.04984	0.6
208.81488	0.5
211.09689	17.0
212.10167	0.8
215.12811	1.6
223.06009	0.7
225.11182	1.3
229.10751	8.5
235.09740	0.7
241.14381	0.7
247.08205	2.2
253.10799	0.9
257.15002	0.6
259.11862	1.0
265.09274	8.1
269.04477	1.2
271.02405	0.8
271.11877	2.1
285.04224	0.7
289.12823	3.9
299.01895	0.8
300.02747	1.6
301.19894	0.6
315.04849	1.4
349.14972	1.4
417.17575	5.5
435.18674	26.3
436.18991	3.1
477.19754	12.8
478.20419	1.4
495.22220	2.5
503.20999	2.6
507.20749	1.3
537.22052	6.0
579.23151	1.1
597.15118	0.9
597.24084	11.5
598.24457	1.0
639.28302	2.2
665.26910	1.3
683.27631	100.0
684.28009	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	683.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16415	0.5
55.01749	0.8
55.77573	0.5
57.03316	0.6
59.01251	22.6
60.16648	0.7
61.98686	2.2
62.49418	0.5
63.44352	0.5
68.99647	0.5
71.01253	16.5
71.32423	1.0
72.99165	1.1
73.02817	18.3
75.00732	0.7
78.73940	0.5
83.01257	4.7
83.04911	0.6
85.02831	3.6
89.02328	3.0
93.03308	0.9
95.01248	1.6
96.95856	1.1
97.02814	1.0
99.00761	1.0
101.02319	10.5
106.04115	11.1
107.04916	6.7
108.02079	0.6
113.02339	5.8
119.04916	2.4
119.10336	0.5
121.02818	1.2
125.02306	1.2
135.04483	0.6
136.05234	0.9
138.03101	2.4
139.10924	0.5
148.05128	0.6
149.02362	0.9
150.03102	2.4
159.08023	2.0
161.04518	0.8
161.05879	0.5
161.09625	0.9
163.03886	0.9
182.02057	1.2
191.80440	0.7
193.05013	0.5
203.07043	1.0
210.03572	0.5
229.15930	22.0
230.16255	1.5
257.15430	0.9
269.15512	0.7
271.17215	0.8
272.14340	0.8
273.14938	100.0
274.15234	7.0
285.03995	0.9
285.14926	0.9
287.16531	2.6
315.15961	14.7
316.16312	1.9
326.52026	0.6
345.16846	0.8
357.17099	1.6
375.18155	0.9
417.19043	5.3
435.20303	7.1
436.20496	0.7
477.21262	88.1
478.21533	11.0
484.04968	0.6
683.37396	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	683.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	15.7
59.01247	26.7
60.09398	0.8
69.03371	0.8
69.81180	5.2
69.81571	1.9
71.01258	1.4
73.02825	1.2
75.81760	0.8
80.28761	0.7
83.04892	1.2
85.02826	4.5
99.04386	2.8
107.50255	0.9
108.65605	0.8
109.06464	9.9
111.04356	5.1
116.58367	0.9
121.06456	1.1
123.08026	2.1
135.08029	11.9
137.09605	11.0
138.06717	1.2
149.09639	2.6
153.09106	4.4
163.11189	6.9
167.10713	8.3
177.09099	18.2
178.09422	0.9
191.10689	5.9
193.12260	100.0
194.12613	6.9
203.96979	0.8
206.27084	1.0
211.13330	52.1
212.13698	2.8
217.12355	3.7
235.13351	32.7
236.13708	2.7
253.14410	31.2
254.14740	1.5
255.12378	3.2
259.09036	1.0
263.36182	0.9
297.13382	16.4
298.13727	1.5
300.32834	1.1
367.22119	1.0
370.87241	0.8
371.57260	1.0
605.11139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1824
Annotation	Chrysosplenol C 6,4'-diglucoside
Peak:m/z	Relative Intensity
58.77885	0.5
59.01242	8.5
59.04033	0.6
69.03367	1.0
69.35103	4.8
71.01248	3.6
73.02879	1.5
79.01759	0.6
81.03364	1.3
83.01306	0.6
85.02877	2.4
89.02361	1.1
93.03372	1.1
95.01314	1.2
97.02898	0.9
99.00790	0.7
101.02303	2.8
103.00332	0.6
104.42523	0.6
108.02047	57.4
108.98875	0.6
109.02848	17.7
110.03201	0.8
111.00891	0.6
113.02382	1.5
113.30408	0.6
121.02847	2.8
123.00835	1.2
123.04446	1.3
125.02396	0.9
135.00864	2.6
135.04448	0.8
148.01669	1.0
149.02332	7.0
150.03157	2.7
151.03984	1.8
152.01050	67.2
153.01840	15.6
154.02246	0.6
157.83070	0.5
161.02365	0.9
163.03880	2.9
164.04666	5.4
165.01932	2.0
165.05527	1.7
166.02670	1.4
167.03394	2.8
175.00272	7.2
175.03879	0.8
176.01050	16.1
177.01834	2.2
181.01456	0.6
186.86514	0.6
190.02632	22.8
191.03404	24.6
192.03905	1.3
194.02206	2.0
195.02972	1.3
205.03078	1.1
205.04993	21.2
206.05466	1.7
207.03021	0.9
208.03790	1.8
209.04448	4.4
217.01428	0.9
223.06079	4.4
233.04509	0.9
235.06233	0.7
240.04257	0.6
243.03021	0.9
251.05667	1.2
263.11490	0.6
273.07599	0.8
302.14026	0.6
305.12808	0.6
315.07184	11.6
316.07666	0.7
327.05157	0.9
339.07306	1.1
350.97186	0.6
353.08719	4.0
367.10388	2.6
383.06015	1.1
477.14090	1.3
489.10269	1.6
517.13385	2.2
521.12970	100.0
522.13287	11.5
563.13934	4.5
683.18158	46.9
684.18878	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	682.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34256	0.4
57.03318	0.5
59.01248	17.2
61.98701	2.5
69.03307	0.8
71.01244	8.6
71.52573	0.7
72.99180	0.9
73.02821	6.4
79.95598	0.7
83.01262	2.2
85.02827	3.1
87.00741	1.8
89.02327	2.7
93.03330	2.0
93.90791	0.5
95.01270	1.1
95.95097	1.0
96.95884	4.5
97.02807	0.5
99.00762	0.6
101.02318	6.5
103.03886	1.3
106.04129	3.3
107.04878	1.2
108.01997	0.8
111.00806	0.4
113.02336	3.1
119.03395	1.1
119.04890	1.5
121.02813	1.1
123.04441	0.4
125.02269	0.8
125.09614	0.8
127.62156	0.4
134.03615	2.8
137.02342	1.0
138.03110	0.8
143.03387	0.5
149.02347	1.0
150.03116	0.7
151.03897	0.6
152.01074	0.8
153.01816	0.7
159.03125	1.4
159.08055	0.7
160.03911	0.5
163.03880	0.6
165.05418	0.5
166.02589	1.8
181.05031	0.7
182.02203	0.5
187.07582	1.4
187.09641	0.6
187.11232	0.7
191.01921	0.7
198.05536	1.2
199.06218	3.0
213.07843	0.9
219.61967	0.5
225.12787	1.4
227.14336	2.8
229.15962	4.9
245.15536	0.6
265.09125	0.7
271.10022	0.4
271.13351	1.5
273.14996	1.8
280.13428	8.2
281.13834	0.7
282.14987	17.0
282.18179	0.8
283.15298	1.4
298.14490	9.6
299.14996	0.6
300.16000	12.2
301.16226	0.9
325.91086	0.5
407.20612	1.0
433.18732	0.8
460.20145	2.2
475.19659	4.0
478.20871	4.4
479.21008	0.5
493.21259	0.9
502.20795	11.9
503.20947	1.2
520.21844	100.0
521.22241	12.9
638.27203	1.0
682.24390	3.5
683.27863	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	682.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.3
56.22991	0.2
57.03302	0.5
59.01250	12.9
60.85486	0.2
61.98703	1.5
64.06261	0.3
68.99645	0.3
71.01252	7.6
71.52680	0.5
72.99167	0.6
73.02812	3.0
75.00732	0.5
75.20465	0.2
77.49194	0.3
83.01247	1.1
83.04887	0.3
85.02824	2.7
85.99982	0.3
87.00747	1.7
89.02309	2.1
93.03322	0.8
95.01257	0.6
96.95911	0.4
97.02799	0.3
99.00750	1.2
101.02326	3.2
101.16826	0.2
103.03852	0.4
106.04124	3.6
107.04908	2.2
108.02056	0.6
108.96600	0.3
111.00747	0.5
113.02340	1.8
119.03384	0.6
119.04887	0.9
121.02876	0.6
123.04386	0.3
124.01505	0.4
125.02324	0.4
129.01787	0.4
134.03619	1.9
136.02428	0.3
137.02292	0.5
138.03110	1.0
143.03340	0.5
147.04420	0.4
147.08029	0.5
149.05858	0.3
150.03133	0.4
152.01009	0.5
159.03131	0.7
159.08069	1.5
161.04498	0.3
161.05826	0.3
163.03964	0.4
165.01886	0.3
166.02675	1.3
167.03281	0.4
173.09589	0.4
175.11201	3.9
182.01987	0.3
187.07524	0.7
191.02005	0.3
198.05548	0.4
203.07144	0.3
205.04973	0.3
213.07890	0.8
215.95107	0.3
227.14284	1.2
229.15950	3.6
245.15477	3.2
255.13857	1.2
255.82974	0.3
269.04446	0.5
271.13324	0.6
271.16965	0.3
273.14960	4.2
274.15268	0.3
280.13412	0.6
282.14972	7.3
283.15231	0.6
289.14432	1.0
298.14407	0.8
300.16025	3.3
301.16531	0.3
316.15570	0.6
371.18759	0.4
389.19656	1.0
407.20648	3.2
408.21637	0.3
415.17551	0.9
417.19232	0.3
433.18655	3.0
434.19138	0.3
442.18674	0.7
449.21472	0.4
451.19690	1.1
460.19827	4.8
461.19995	0.6
475.19629	4.0
476.20071	0.6
478.20755	5.9
479.21133	0.6
493.20645	0.9
495.21835	0.4
502.20786	17.5
503.21198	2.2
520.21832	100.0
521.22168	13.2
609.29102	0.3
638.27997	0.3
683.20490	1.0
683.38593	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01580	0.9
61.98706	2.2
70.01971	1.1
71.01236	0.5
73.02827	0.9
78.95784	1.1
85.02829	0.5
111.08068	0.3
112.94559	0.4
117.03340	10.9
118.03658	0.5
124.05217	0.3
127.11107	0.3
137.91690	0.3
147.79967	0.3
152.99513	1.3
156.58395	0.3
158.36804	0.3
164.73808	0.3
171.10159	8.3
172.10574	0.3
198.09125	0.8
199.09621	0.4
253.09361	0.4
279.23383	0.8
280.23523	0.7
291.19617	4.4
292.20172	0.5
444.09555	0.4
491.31888	1.6
503.31781	0.9
573.35693	4.6
574.36133	0.6
591.37012	1.5
596.29108	1.5
606.17004	0.4
621.37927	6.7
622.38647	1.4
681.26178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45293	0.7
53.59566	0.7
55.01740	1.2
55.33752	0.8
58.00452	1.9
58.66076	0.7
59.01248	42.7
61.98679	1.3
67.04490	0.8
68.99696	0.9
69.03309	3.0
71.01251	37.8
71.52440	1.2
72.01543	0.7
72.94006	0.8
72.99163	3.3
73.02809	5.1
75.00749	0.9
76.89338	0.6
78.10444	0.6
81.03329	1.3
83.01256	5.6
85.02823	8.4
85.74690	0.6
87.00735	8.8
89.01759	1.7
89.02311	31.0
93.03379	0.7
95.01239	2.3
97.02829	7.1
99.00744	2.4
101.02316	29.2
109.02905	0.8
111.00756	0.8
111.04392	0.7
113.02322	13.8
115.03835	1.1
119.03372	9.4
121.02848	0.9
125.02329	12.2
131.03386	1.0
133.04988	1.0
139.03960	1.0
141.01756	0.8
143.03398	7.0
149.04503	1.1
158.99104	0.8
161.04462	6.3
179.05521	6.1
198.09247	1.1
200.34618	0.7
221.06577	2.6
229.02809	0.8
235.08188	15.1
245.06653	1.2
253.09219	3.4
263.07724	1.5
268.49359	0.7
277.09299	0.9
277.21628	0.8
283.26404	100.0
284.26755	8.7
287.07657	3.4
305.08823	4.5
323.09833	2.2
397.13474	94.7
398.13818	6.5
415.14563	34.5
416.14990	2.1
448.46030	0.8
584.09943	0.9
637.94135	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01595	0.8
60.75892	0.3
61.98693	1.2
65.31461	0.3
71.01270	0.8
73.02802	0.6
78.95780	1.4
78.97041	0.3
82.53696	0.3
96.96836	0.4
98.19833	1.0
117.03335	8.7
118.03702	0.4
120.46074	0.3
126.43391	0.3
130.27249	0.3
152.99495	1.2
171.10210	1.8
198.09167	0.4
241.01065	0.4
262.58469	0.3
279.23376	0.4
280.23740	0.7
291.19821	1.0
373.27518	0.4
463.64151	0.4
491.31427	2.1
503.31876	0.8
517.33527	0.7
573.35889	3.4
574.36090	0.7
591.37653	1.2
596.29132	2.1
621.37781	6.6
622.38593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92601	0.2
57.03314	0.5
59.01251	5.8
60.99176	15.5
61.98700	2.0
65.00152	0.3
69.19502	1.4
69.19936	1.7
69.68882	0.3
70.14467	0.3
71.01255	3.3
72.99171	0.8
73.02796	0.7
74.93111	0.3
83.01259	0.6
85.02826	1.6
87.00755	1.9
88.00282	1.0
88.98675	100.0
89.02314	10.0
89.99027	1.0
92.62083	0.3
92.62664	0.3
93.03360	0.6
95.01258	0.5
96.95877	0.7
101.02332	1.3
103.03899	0.4
104.81172	0.3
108.02048	0.9
111.00774	0.6
113.02323	1.4
118.97974	0.5
119.03371	0.4
119.04914	2.9
120.99511	0.3
121.02864	0.9
124.01546	0.4
125.02357	0.4
132.71291	0.3
137.02312	0.5
145.02805	0.3
151.00323	0.7
152.01073	0.5
161.04463	0.6
163.03918	2.1
164.04443	0.4
190.02632	0.4
195.13853	0.4
265.09308	0.5
268.03668	1.8
269.04611	0.7
283.06058	3.2
284.06216	0.6
285.03928	0.4
540.60736	0.3
681.35773	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54453	0.3
53.36563	0.3
57.03326	1.3
59.01249	100.0
60.01593	1.1
61.98700	3.6
69.03327	0.8
71.01254	3.8
71.01633	0.5
71.32353	0.8
72.99171	0.4
73.02818	6.5
73.03201	0.6
78.89120	0.4
83.04899	1.3
83.89144	0.4
85.02830	1.4
86.62542	0.4
87.00755	0.3
87.04391	0.5
89.02314	0.6
95.04897	1.0
96.95911	0.4
101.02332	1.2
101.05991	0.4
111.04436	0.5
111.08060	1.5
113.05979	1.0
117.05485	0.9
119.04937	0.5
121.02833	0.5
151.00296	0.4
152.00940	0.3
160.03983	0.5
161.04521	0.5
205.01587	0.3
214.16083	0.3
223.06021	0.4
255.17189	0.3
269.04453	0.5
297.22339	0.8
310.56912	0.4
315.23309	1.0
327.23215	0.9
355.26456	0.4
357.24243	0.5
373.27432	0.9
375.25681	0.4
385.27621	1.1
397.27316	0.6
415.28491	1.4
427.28751	0.6
433.29507	6.9
434.29950	0.9
445.29706	0.7
457.29547	0.4
475.30609	73.7
476.30942	9.7
476.37369	0.7
515.33954	0.4
519.29547	8.8
520.29926	1.5
533.34918	3.3
534.35004	0.8
559.32660	0.4
577.33929	4.1
595.34607	2.4
596.35443	0.5
602.52484	0.4
637.35730	2.6
654.83002	0.4
681.38208	8.5
682.38544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1665
Annotation	Isorhamnetin 3-(6'''-acetylglucosyl)(1->3)-galactoside
Peak:m/z	Relative Intensity
52.44060	0.8
54.73568	0.8
55.57944	0.8
59.01239	6.2
64.29660	0.9
71.01233	3.5
71.52201	1.0
83.01246	1.7
85.02798	2.0
87.95979	0.9
89.02277	1.9
93.03324	1.3
93.94201	1.0
101.02311	2.0
107.01258	2.0
113.02303	1.4
135.04347	1.0
142.35609	1.2
147.04384	1.6
149.02290	1.0
151.00290	6.1
164.07045	1.9
165.01889	0.9
186.03172	1.1
193.01323	1.1
198.03169	1.0
199.03905	1.6
205.04909	1.0
206.08118	3.2
214.02663	2.8
226.02637	1.7
241.01292	3.5
242.02153	23.1
243.02921	7.8
245.00859	7.3
255.02850	3.0
257.04471	2.6
270.01672	35.8
271.02426	14.2
272.02893	2.0
285.04010	15.2
286.04504	2.6
298.01141	7.2
299.01950	10.1
299.05179	1.2
300.02716	25.7
301.03073	2.2
312.02887	1.1
313.03519	100.0
314.04114	18.6
315.05081	69.9
316.05405	5.7
327.05118	1.2
339.05124	1.1
350.16867	1.0
357.06036	5.7
421.76886	1.0
459.08524	1.4
461.07104	2.5
476.03391	1.2
476.09622	21.4
477.10281	18.2
478.10733	2.3
509.08499	1.0
519.11389	45.5
520.11609	5.3
561.12555	3.6
681.16486	39.8
682.17053	7.3
701.61639	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.2
60.01568	0.2
60.97751	0.2
61.98701	100.0
71.01257	0.8
73.02817	0.3
75.00744	0.6
78.95755	0.2
79.61047	0.2
83.17760	0.2
85.02837	0.3
89.02340	0.2
96.95890	2.9
98.20521	0.4
101.02321	0.5
106.56259	0.2
113.02365	0.5
121.02867	0.3
194.63985	0.2
209.04437	0.2
216.00552	0.2
245.08202	0.3
306.77255	0.2
335.09253	0.7
401.63461	0.2
620.40228	0.3
663.24957	0.3
680.40942	0.5
681.25513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.3
61.98704	3.2
67.82917	0.5
69.03317	4.9
71.01254	1.2
71.52748	0.7
73.02824	1.4
78.95775	0.9
79.05405	1.6
87.04388	1.2
89.02313	0.7
92.04932	2.3
93.03358	1.1
97.06498	1.7
115.07587	0.8
116.04939	5.6
120.44604	0.6
129.05733	0.6
131.03664	17.4
132.04398	0.9
144.04446	100.0
145.04779	3.8
152.99443	1.0
155.07315	1.8
157.05215	3.9
158.05959	1.5
166.06549	0.9
166.62030	0.5
167.06055	8.4
170.06018	1.9
171.06804	1.0
171.10182	0.5
179.07277	0.5
180.08064	2.9
182.04779	1.7
182.09657	3.6
182.43982	0.6
184.07613	0.6
185.08398	1.6
194.09647	1.2
196.11295	1.8
197.08385	1.7
198.09167	35.1
199.09500	2.4
199.82837	0.5
200.10559	0.6
203.93404	0.6
206.09660	1.5
208.07433	0.8
208.11275	0.9
210.09218	1.1
220.55028	0.5
241.07663	3.7
243.09271	1.3
255.09274	1.0
259.08734	12.6
260.09186	1.2
266.15533	3.4
268.06372	4.4
269.07181	2.2
270.07620	1.1
271.08713	0.9
279.23032	0.6
281.10715	1.0
281.24866	1.0
282.25146	1.7
283.08685	0.9
285.06699	1.8
285.10324	1.9
287.08234	17.5
288.08542	1.9
299.11844	2.8
309.14020	0.9
325.13385	1.1
327.14993	2.0
336.12598	0.8
337.13327	0.9
339.14938	1.1
349.13174	0.7
359.14011	14.3
360.14410	2.3
364.15762	1.1
379.18259	1.8
382.53809	0.6
383.17694	1.3
395.17709	0.7
397.19165	51.0
398.19537	5.8
399.17084	3.7
401.18613	1.6
425.18488	1.2
427.20224	5.8
428.20471	1.4
437.18442	0.9
439.20126	1.5
502.52454	0.7
545.38776	0.9
546.38745	1.8
547.29907	1.4
570.24060	2.0
580.29639	1.2
595.29004	1.5
620.42157	0.7
644.32520	1.7
662.33667	1.3
680.34857	27.1
681.35754	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86206	0.2
51.68028	0.3
55.01744	0.9
57.03316	1.0
58.00454	2.0
59.01249	32.1
61.98689	1.4
68.99657	0.5
69.03313	1.6
71.01251	34.5
72.01559	0.4
72.99170	3.0
73.02818	5.6
75.00726	0.8
81.03331	1.4
83.01255	3.3
85.02820	7.2
85.99976	0.4
87.00747	8.6
89.02314	30.3
91.03887	0.6
93.03301	0.5
95.01256	2.2
95.04915	0.3
97.02828	5.1
98.20646	0.6
99.00751	2.2
99.04382	0.3
101.02319	27.4
102.02667	0.4
103.42881	0.3
109.02810	0.5
111.00752	0.7
111.04380	0.8
113.02334	12.3
115.03870	0.6
115.89240	0.3
119.03379	8.7
121.02838	0.6
122.01033	0.3
123.04357	0.3
124.01563	0.3
125.02335	11.5
126.02646	0.3
127.03929	0.4
131.03419	1.3
133.04970	0.9
139.03868	0.8
141.01784	0.7
143.03407	5.7
149.02347	0.3
149.04446	0.8
161.04440	6.4
163.03914	0.4
167.03421	0.8
169.04941	0.5
171.02977	0.4
175.30775	0.3
179.05518	5.9
185.04471	0.6
198.09174	0.9
199.06120	0.7
203.05498	0.4
217.07097	1.0
219.05034	0.6
221.06584	2.1
235.08191	13.4
235.19348	0.3
236.08502	0.6
245.06601	1.1
253.09274	3.1
263.07669	1.5
276.07892	0.3
277.09268	1.1
281.24841	100.0
282.25211	9.3
287.07703	3.4
295.26376	0.6
305.08762	3.9
306.09088	0.5
323.09741	1.4
361.11301	0.6
379.12369	0.9
397.13470	83.5
398.13791	6.7
401.06619	0.3
415.14545	30.7
416.14841	2.9
577.81378	0.3
619.41730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.9
57.03331	0.9
59.01248	100.0
60.01580	0.9
61.98698	1.0
69.03324	0.2
71.01252	10.8
71.04867	0.3
72.99187	0.6
73.02816	4.7
75.00730	0.3
83.01253	1.7
85.02821	6.7
85.06481	0.6
85.99992	0.7
87.00764	0.6
87.04394	0.3
89.02329	1.0
95.01273	0.9
97.02831	0.5
98.20564	0.5
99.00763	1.9
101.02316	9.4
112.01523	0.3
113.02325	5.1
113.03065	0.3
114.56747	0.2
119.03391	0.3
123.60783	0.2
143.03424	0.4
145.70200	0.2
159.02911	0.8
161.04439	2.8
281.11615	0.2
347.29813	0.6
386.19696	0.2
389.34546	0.3
401.34045	0.2
419.35294	4.3
420.36038	0.4
503.37286	0.4
563.39429	3.6
564.40381	0.8
575.39374	1.0
581.40607	10.2
582.40967	1.6
589.37543	0.2
593.40625	2.3
594.40637	0.5
619.42334	0.6
623.41571	8.8
624.42035	1.9
625.40100	0.6
635.42224	0.6
637.43365	0.4
679.45465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13147	1.4
57.03309	2.3
59.01254	16.4
61.47652	1.6
64.14030	1.3
67.42631	1.3
71.01252	12.7
71.52171	2.1
72.99187	3.7
73.02808	5.0
75.00733	1.6
75.17686	1.6
82.30608	1.3
83.01259	2.8
85.02824	6.1
89.02303	4.2
93.03327	8.9
93.69310	1.4
95.01263	3.0
96.95872	1.8
101.02324	6.3
108.02018	2.6
109.02878	1.8
111.00783	2.8
113.02294	6.6
117.03341	11.2
119.03383	1.8
119.04897	5.6
121.02847	1.8
123.04390	2.1
123.59618	1.6
125.02303	4.0
135.04393	6.3
137.02330	3.1
149.02327	4.5
151.03847	1.5
159.04437	2.9
161.02342	5.6
161.04454	3.3
161.05858	2.1
163.03912	4.3
175.03836	3.5
177.01788	1.8
177.05452	2.0
179.05472	2.4
182.19861	1.5
189.01878	1.7
190.02711	2.6
191.03329	2.9
203.03421	4.0
205.04971	4.2
221.04495	2.5
247.15453	1.5
267.06598	2.0
271.02539	1.6
282.05328	4.6
283.06006	4.9
293.04471	3.3
295.06107	9.9
296.06741	6.5
296.66632	1.5
297.07657	43.3
297.10904	1.8
298.08090	4.1
307.06158	5.5
309.07672	5.9
311.05566	4.6
323.05499	6.4
325.07123	15.5
326.07477	2.1
328.05826	5.8
335.05457	4.8
337.07138	5.0
353.06628	75.7
354.06918	4.9
365.06644	9.1
383.07672	42.9
384.08008	3.1
395.07544	4.9
413.08530	4.7
425.08600	2.1
437.08951	2.1
455.09653	4.5
473.10803	22.1
474.10919	3.4
503.11682	8.7
515.11963	9.6
572.64624	1.8
575.13904	6.4
593.15045	57.9
594.15558	4.6
635.16113	100.0
636.16534	16.9
679.25531	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71098	1.0
57.03313	2.8
57.68208	1.0
59.01252	100.0
60.01575	1.3
61.98702	12.4
71.01256	8.4
71.53252	1.5
72.99178	1.2
73.02825	6.2
74.66246	1.3
82.65695	0.9
83.01259	1.8
83.04901	1.7
85.02818	5.2
87.00725	1.1
88.98699	1.7
89.02310	1.1
96.95880	1.1
99.00772	1.2
101.02319	7.0
113.02341	4.2
116.92754	1.6
117.05412	1.0
119.03410	1.1
119.04879	1.3
121.02856	1.4
135.78923	1.1
161.04492	3.5
171.10138	5.2
185.08214	1.2
197.11757	3.5
235.82228	1.2
269.04364	1.2
417.26367	2.0
430.61426	1.1
435.27374	5.1
459.27127	2.0
477.28528	13.2
478.28751	1.4
501.28354	2.0
519.29675	7.5
520.30170	1.6
561.30762	30.9
562.30804	5.3
587.36700	1.2
619.38489	9.4
620.38428	1.7
679.39923	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	679.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13147	1.4
57.03309	2.3
59.01254	16.4
61.47652	1.6
64.14030	1.3
67.42631	1.3
71.01252	12.7
71.52171	2.1
72.99187	3.7
73.02808	5.0
75.00733	1.6
75.17686	1.6
82.30608	1.3
83.01259	2.8
85.02824	6.1
89.02303	4.2
93.03327	8.9
93.69310	1.4
95.01263	3.0
96.95872	1.8
101.02324	6.3
108.02018	2.6
109.02878	1.8
111.00783	2.8
113.02294	6.6
117.03341	11.2
119.03383	1.8
119.04897	5.6
121.02847	1.8
123.04390	2.1
123.59618	1.6
125.02303	4.0
135.04393	6.3
137.02330	3.1
149.02327	4.5
151.03847	1.5
159.04437	2.9
161.02342	5.6
161.04454	3.3
161.05858	2.1
163.03912	4.3
175.03836	3.5
177.01788	1.8
177.05452	2.0
179.05472	2.4
182.19861	1.5
189.01878	1.7
190.02711	2.6
191.03329	2.9
203.03421	4.0
205.04971	4.2
221.04495	2.5
247.15453	1.5
267.06598	2.0
271.02539	1.6
282.05328	4.6
283.06006	4.9
293.04471	3.3
295.06107	9.9
296.06741	6.5
296.66632	1.5
297.07657	43.3
297.10904	1.8
298.08090	4.1
307.06158	5.5
309.07672	5.9
311.05566	4.6
323.05499	6.4
325.07123	15.5
326.07477	2.1
328.05826	5.8
335.05457	4.8
337.07138	5.0
353.06628	75.7
354.06918	4.9
365.06644	9.1
383.07672	42.9
384.08008	3.1
395.07544	4.9
413.08530	4.7
425.08600	2.1
437.08951	2.1
455.09653	4.5
473.10803	22.1
474.10919	3.4
503.11682	8.7
515.11963	9.6
572.64624	1.8
575.13904	6.4
593.15045	57.9
594.15558	4.6
635.16113	100.0
636.16534	16.9
679.25531	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4265
Annotation	Kahiricoside III
Peak:m/z	Relative Intensity
55.01753	1.3
57.03321	1.2
58.00468	0.3
59.01247	100.0
60.01587	0.9
61.98700	0.3
68.99680	0.1
69.03327	0.3
70.39029	0.4
71.01250	13.8
72.01591	0.1
72.99186	0.5
73.02816	4.9
75.00734	0.2
83.01259	2.5
85.02818	7.5
85.06456	15.5
85.99982	0.5
86.03172	0.2
86.06776	0.2
87.00739	0.6
87.04388	0.2
89.02310	1.6
95.01248	1.3
95.04916	0.2
97.02808	0.6
97.06464	2.2
99.00755	2.2
101.02322	10.2
102.02654	0.2
112.01559	0.3
113.02323	6.9
119.03403	0.4
125.02312	0.6
129.01852	0.3
131.03433	0.1
143.03366	1.2
159.02872	1.4
161.04454	8.2
162.04788	0.3
180.21172	0.1
205.03435	0.3
206.78712	0.1
245.08093	0.4
314.93793	0.1
329.24799	0.2
345.27951	0.3
347.29367	0.2
357.27911	1.2
375.29050	1.9
376.29413	0.3
387.28979	0.4
393.30099	0.2
419.28503	0.1
441.29309	0.1
473.36322	0.4
501.32202	0.5
519.33179	1.5
520.33215	0.3
531.33124	0.5
537.34229	2.0
538.34662	0.2
549.34381	2.0
550.34320	0.3
561.34253	2.7
562.34601	0.3
569.38800	0.1
579.35321	1.7
580.35706	0.3
581.33179	0.2
591.35284	0.3
617.40546	3.4
618.40808	0.6
623.33765	0.2
635.41595	9.9
636.41858	1.9
677.42615	7.0
678.42950	1.5
679.40021	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.2
55.73493	0.1
57.03311	0.2
59.01248	100.0
60.01587	0.8
61.24249	0.1
61.98701	0.2
69.72163	0.1
70.63551	0.4
70.63920	0.1
71.01247	2.0
71.01605	0.1
72.99223	0.1
73.02821	0.8
75.00783	0.1
83.01266	0.3
85.02822	1.0
86.46664	0.1
87.00761	0.4
89.02317	0.2
95.01283	0.2
98.11152	0.1
99.00774	0.1
101.02326	1.4
101.30773	0.1
101.68079	0.1
113.02295	0.7
150.39989	0.1
158.67833	0.1
161.04440	1.0
163.26366	0.1
170.65897	0.1
171.10185	0.2
209.11885	0.2
343.39627	0.1
635.41602	1.5
636.42792	0.3
677.42487	0.6
679.40637	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77692	0.3
54.53833	0.3
55.01761	0.9
57.03322	1.2
58.00464	2.4
59.01249	44.1
60.01594	0.5
61.98697	0.9
68.99693	0.3
69.03320	1.9
71.01250	33.5
72.01608	0.4
72.99189	2.9
73.02818	6.5
73.03196	0.5
73.91299	0.3
75.00746	0.7
81.03336	2.0
83.01257	4.5
85.02819	7.4
85.03294	0.5
85.99992	0.5
87.00745	8.3
89.02314	29.2
91.03864	0.7
95.01271	2.5
97.02822	5.7
97.03398	0.5
98.19666	0.5
99.00748	2.4
101.02318	27.3
102.02640	0.5
103.03870	0.5
109.02826	0.7
111.00775	0.6
111.04382	0.5
113.02324	14.2
114.02677	0.3
115.03866	0.6
119.03381	9.7
121.02864	0.7
123.00832	0.3
124.01539	0.3
125.02327	10.9
126.02724	0.4
127.03908	0.5
129.01865	0.6
131.03386	1.4
133.04974	1.0
137.02393	0.4
139.03925	0.9
141.01828	0.6
143.03397	5.9
149.04433	1.0
149.70752	0.3
152.99522	0.3
161.04454	5.6
162.20274	0.3
167.03333	0.7
169.04956	0.6
171.02863	0.5
179.05519	6.4
179.06992	0.5
185.04500	0.6
199.06065	0.7
217.07092	1.5
219.05038	0.4
221.06599	2.4
229.14330	0.4
235.08173	12.2
236.08508	0.8
245.06567	0.6
253.09219	2.9
261.22330	0.6
263.07617	1.7
277.09320	0.8
279.23267	100.0
280.23602	8.9
287.07693	3.0
305.08716	4.2
323.09836	1.8
350.80942	0.3
361.11359	0.6
361.16556	0.4
379.12424	1.0
397.13461	77.5
398.13779	5.2
415.14545	31.1
416.14862	2.1
435.92365	0.3
626.49933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.1
57.03332	1.4
59.01248	63.3
60.01569	1.1
60.68330	1.1
61.98701	10.1
69.62395	1.2
71.01247	7.3
71.52306	1.9
72.99178	2.5
73.02820	4.6
78.95791	2.3
81.01440	1.1
83.01276	1.5
85.02821	2.9
88.98684	1.6
89.02309	1.6
96.95888	2.1
97.06456	2.0
101.02320	4.2
113.02312	3.2
116.89971	1.1
119.04935	2.2
120.04433	44.2
120.05287	2.5
121.04829	1.9
128.12886	1.2
133.06471	1.3
152.99530	2.3
160.07585	2.8
171.10188	2.9
209.11806	2.4
211.13405	1.5
217.04884	1.4
241.84683	1.2
281.10428	0.8
281.12936	59.1
282.13187	6.8
295.14484	6.2
367.11771	3.4
456.22839	4.4
617.31091	100.0
618.31567	22.5
635.38440	2.8
659.27185	1.7
677.39221	48.1
678.39734	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	677.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
57.03325	1.1
58.00463	1.6
59.01247	37.0
60.01569	0.5
61.98705	1.2
67.01736	0.3
68.99680	0.3
69.03322	1.9
71.01250	35.0
71.08147	0.7
72.01598	0.5
72.99174	2.8
73.02818	5.2
75.00746	0.9
76.93932	0.2
78.95778	1.4
81.03326	1.4
83.01256	3.9
83.04909	0.3
85.02821	8.0
85.99987	0.4
87.00745	8.6
89.02311	28.5
90.02641	0.5
91.03888	0.4
93.03316	0.3
95.01256	2.9
95.04851	0.3
96.03439	0.3
97.02822	6.2
99.00752	2.0
99.04416	0.8
101.02317	28.3
102.02629	0.5
103.00269	0.4
103.03907	0.5
107.04903	0.3
109.02814	0.6
111.00753	0.7
111.04395	1.3
113.02325	13.7
115.03889	0.5
119.03378	8.7
119.04860	0.6
121.02867	0.9
123.00770	0.4
124.01595	0.4
125.02329	11.6
126.02695	0.4
127.03912	0.4
129.01831	0.3
131.03403	1.2
132.12822	0.3
133.04977	0.9
137.02380	0.4
139.03874	0.8
141.01814	0.7
143.02347	0.6
143.03406	6.3
147.04375	0.4
149.04510	0.9
152.99492	1.9
161.04462	6.6
161.05811	0.4
163.03902	0.9
167.03441	0.9
179.05513	6.4
185.04434	0.4
199.06044	0.4
203.05536	0.4
217.07104	0.9
221.06612	2.6
225.92981	0.3
235.08186	12.6
236.08452	0.5
241.01234	0.8
245.06456	0.5
253.09204	2.9
258.08884	0.3
263.07709	1.6
271.09772	0.3
275.06445	0.3
277.09348	1.3
277.21793	0.4
279.23270	100.0
280.23624	8.1
287.07727	3.5
303.15900	0.4
305.08762	4.1
323.09799	1.9
361.11493	0.8
379.12448	1.0
384.84006	0.3
397.13464	77.5
398.13837	5.4
415.14532	32.7
416.14938	2.2
567.22968	0.3
595.28845	2.8
596.29486	0.4
633.30951	0.8
677.29126	0.4
677.41846	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.7
59.01249	17.5
61.32578	0.5
61.98700	8.7
70.61190	0.6
71.01247	1.5
71.52553	1.1
73.02816	0.7
78.95770	0.6
83.04879	1.3
85.02810	1.0
87.04420	0.7
89.02342	0.7
91.62931	0.5
93.32875	0.5
101.02311	0.8
101.05966	0.6
108.02018	0.7
113.02289	0.9
119.07025	1.7
119.17606	0.5
121.02832	0.6
130.04126	0.6
131.04926	0.5
145.02831	2.4
145.03851	0.6
147.04416	2.1
149.34700	0.5
150.78734	0.5
157.06509	0.9
159.04414	0.8
161.02313	0.7
161.06004	0.7
173.02327	1.8
173.06009	0.6
174.03134	12.0
175.03923	21.7
176.04292	0.7
178.02528	0.9
183.08089	2.3
187.03902	1.9
199.07564	2.0
201.05521	2.0
201.09149	1.8
206.02074	6.4
212.04771	0.6
218.09517	0.6
227.07091	29.0
228.07448	1.9
229.08583	0.9
245.08147	100.0
246.08473	5.6
263.09235	14.2
266.05814	0.8
279.06610	0.8
280.07440	1.2
303.15869	1.1
304.55951	0.6
329.13809	1.2
329.30466	0.6
338.11536	0.9
347.14987	1.6
348.48395	0.6
350.11310	0.7
351.12421	5.2
365.13843	0.9
377.13733	1.0
409.16516	5.2
410.16840	0.6
435.17987	1.5
436.18814	2.2
489.78714	0.6
494.23160	2.6
575.22675	7.4
576.23035	1.1
579.29559	22.2
580.30450	2.9
617.40497	2.1
633.30823	2.7
661.23773	0.7
677.29620	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	677.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07916	0.8
55.01742	1.6
57.03317	2.2
59.01250	100.0
59.84685	1.1
60.49630	0.8
61.98701	33.1
71.01247	18.5
71.53265	1.5
72.99181	1.3
73.02820	5.2
75.00742	1.4
78.95780	1.7
83.01265	3.7
85.02824	8.8
87.00741	12.7
88.00279	2.1
88.98681	1.0
89.02322	5.7
93.03359	1.0
95.01291	1.5
99.00771	1.8
101.02321	9.9
113.02318	8.3
119.03382	2.4
119.04875	1.2
121.02856	1.0
161.04445	2.6
171.10191	2.0
209.11699	1.4
269.96893	1.0
312.66602	0.8
322.55685	0.9
323.07779	1.0
324.26810	1.1
338.10477	1.5
490.81543	0.9
517.31830	1.2
594.58142	1.0
617.25952	64.8
618.26379	10.8
635.41455	1.8
677.41113	12.5
678.38916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40631	0.7
59.01228	2.7
61.98665	2.4
71.01226	0.9
71.04893	0.9
71.07806	1.3
71.08134	1.0
73.80823	0.7
78.51849	0.7
83.04882	3.8
87.04387	10.7
92.96803	0.7
98.00980	0.8
119.04907	1.0
121.02837	1.9
129.01793	2.6
130.04132	1.5
145.02849	14.3
146.03580	2.2
147.04411	6.7
157.06433	2.7
159.04408	2.6
161.02341	1.3
163.00217	2.2
163.98628	0.7
171.04373	1.0
173.02345	8.3
173.05923	5.6
174.03130	22.8
175.03911	31.4
175.07535	1.8
178.02467	0.8
183.08115	1.8
187.03905	5.6
191.03343	0.9
199.07616	2.6
200.04715	3.4
201.05498	41.5
201.09164	3.4
202.06107	2.7
203.07265	0.8
205.04971	15.3
206.02130	11.8
206.05333	1.3
211.07510	1.2
212.08427	1.4
216.00574	0.8
217.08722	1.5
218.09352	1.7
227.07086	19.0
227.10715	2.4
228.07515	1.0
229.08636	2.1
231.06502	1.8
232.03615	1.3
241.08559	1.3
243.02898	1.6
245.08148	100.0
245.11983	2.7
246.08437	7.4
259.09634	2.1
263.09317	4.3
271.09729	21.2
272.10144	1.6
276.10052	1.1
285.11282	2.4
285.14783	1.3
287.01779	0.8
301.14496	1.0
303.16104	4.6
329.13837	3.8
330.13959	0.9
345.03885	1.2
347.14941	3.3
361.16525	16.5
362.16849	2.0
379.07919	1.0
387.10904	0.9
431.20709	1.2
560.17108	1.7
565.24567	3.0
592.19446	1.0
599.03040	1.0
619.22247	1.4
633.30774	1.9
645.23523	2.7
659.29205	0.9
677.29590	59.9
678.29956	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	677.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.2
57.03315	13.2
59.01247	70.4
60.01572	1.5
61.98690	7.0
69.03301	1.7
69.38224	3.8
69.38631	8.0
70.98101	1.4
71.01248	40.0
71.04909	1.9
71.55560	1.2
72.99163	5.0
73.02814	14.6
75.00736	4.7
81.03326	6.3
83.01250	12.7
83.04882	14.5
83.26005	1.5
85.02814	34.4
86.59184	1.3
87.00739	5.0
89.02312	18.7
93.03327	4.0
95.01270	3.0
95.04902	3.0
96.95876	8.6
97.02811	2.9
99.00733	4.1
99.04375	3.4
101.02306	23.8
103.03874	49.0
105.06933	1.7
107.04880	1.7
109.06490	3.1
111.00751	3.2
111.04385	1.4
113.02309	17.2
115.03888	3.4
119.03391	9.2
119.04864	7.3
121.02792	1.8
121.06429	2.3
123.04430	1.7
125.02283	3.4
128.03453	1.4
131.03305	1.7
135.04382	1.8
137.02426	1.7
138.03128	2.2
138.06726	6.5
139.03929	6.8
143.03387	3.8
149.02336	1.8
149.04492	1.7
151.00253	1.8
152.00996	2.2
152.06966	1.8
153.01898	1.7
153.09096	13.2
161.02319	2.1
161.04424	5.6
161.09560	5.3
161.13205	3.6
163.03891	5.0
163.11172	4.1
164.03430	1.6
165.05516	1.8
167.03319	1.8
176.01024	9.8
179.05530	2.5
180.06546	1.5
181.04991	1.6
187.11169	7.7
189.09079	4.0
190.02760	1.7
191.01784	2.3
191.03416	16.9
192.03755	1.4
197.04489	2.1
203.10680	1.6
205.04996	3.8
205.12210	6.2
207.10150	4.2
211.13319	4.1
223.13290	8.6
225.16011	8.2
237.06084	4.9
241.14346	1.7
247.08022	2.1
249.11212	4.3
255.12305	20.4
256.12607	2.5
265.09259	67.1
266.09601	3.1
267.12241	5.9
269.04410	2.6
277.09210	8.1
279.12415	3.6
285.04147	2.2
289.09238	1.7
301.09335	11.9
307.10388	2.2
342.11789	1.8
369.15768	1.7
451.32684	3.8
453.21201	4.0
455.19498	6.9
471.22229	5.2
497.20352	14.8
515.21301	100.0
516.21667	14.9
550.44525	1.5
557.22522	8.8
587.23065	4.0
617.24353	21.8
618.24451	3.8
633.25592	3.2
677.26605	52.7
677.49481	64.6
678.26752	8.4
678.49982	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	675.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.8
57.03314	1.8
58.00452	1.9
59.01250	54.6
65.67258	0.5
66.88630	0.6
69.03324	3.3
71.01252	40.6
71.32986	0.7
71.33297	0.8
71.77888	0.6
72.99174	3.1
73.02818	9.3
73.71067	0.5
74.93627	0.6
75.00742	0.8
81.03313	2.4
82.17027	0.5
83.01261	4.7
85.02330	0.5
85.02813	8.9
87.00755	10.2
87.04382	0.7
89.02316	37.7
91.03883	1.8
93.03305	0.8
95.01261	2.6
97.02831	6.9
99.00752	2.4
101.02322	34.1
111.00745	0.5
111.04366	1.1
113.02332	18.9
114.02671	0.5
115.03870	1.0
119.03381	9.5
121.02837	0.9
125.02338	13.4
127.07461	0.6
129.01782	0.6
131.03389	2.2
133.04974	1.1
139.03859	1.7
141.01825	0.6
143.03380	7.2
143.25349	0.6
144.59818	0.5
149.04424	0.9
150.34915	0.5
161.03214	0.8
161.04459	8.0
167.03313	0.9
171.02852	0.6
179.05551	7.2
185.04427	0.7
194.89470	0.6
217.07169	1.0
219.05122	0.5
221.06619	3.9
235.08179	14.6
235.10455	1.1
245.06511	0.8
253.09291	4.6
263.07697	1.6
275.20032	0.9
277.09299	1.3
277.21701	100.0
278.22018	8.8
287.07764	2.6
305.08786	4.8
323.09787	2.2
349.75415	0.6
361.11475	1.1
379.12531	1.2
397.13474	82.0
398.13690	5.6
415.14536	33.8
416.14899	2.1
483.91635	0.8
699.25549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.7
57.03313	1.6
57.68659	0.2
58.00462	2.4
59.01248	53.7
60.01577	0.6
61.98699	0.7
67.01750	0.4
68.99693	0.5
69.03325	2.6
71.01250	44.2
72.01597	0.6
72.99179	2.8
73.02814	7.5
75.00748	1.3
78.95779	0.9
81.03316	2.0
83.01251	4.9
85.02818	9.4
85.99964	0.3
87.00742	10.4
87.04384	0.2
89.02312	37.0
90.02657	0.6
91.03890	0.8
93.03311	0.5
95.01264	3.1
95.04902	0.3
97.02827	7.9
98.20562	0.7
99.00755	2.7
99.04392	0.9
101.02319	33.7
102.02690	0.7
103.03864	0.4
109.02838	0.9
111.00752	0.8
111.04399	0.9
112.01550	0.3
113.02325	16.9
114.02645	0.4
115.03891	0.8
115.80515	0.3
117.01956	0.2
119.03382	10.9
121.02852	0.8
123.00766	0.3
123.04406	0.4
124.01514	0.5
125.02329	14.3
127.03903	0.6
127.07576	0.3
129.01746	0.3
131.03387	1.8
133.04974	1.3
135.33984	0.3
137.02261	0.4
139.03865	1.3
141.01846	0.8
143.03389	6.6
149.02359	0.6
149.04434	1.1
151.03909	0.3
152.99471	1.1
156.15207	0.3
161.04459	7.6
167.03375	1.1
169.04974	0.7
171.02983	0.2
179.05519	7.1
181.05006	0.4
185.04449	0.6
199.06050	0.5
203.05450	0.4
217.07121	1.0
219.05127	0.5
221.06584	2.6
233.22705	0.5
235.08179	15.5
236.08601	0.6
245.06691	0.9
253.09227	3.7
259.08093	0.3
259.20660	0.8
263.07614	1.6
265.24011	0.3
265.26770	0.3
275.20096	0.7
277.09317	0.9
277.21698	100.0
278.22034	9.8
287.07654	4.0
291.23224	0.5
305.08740	3.9
323.09805	1.9
330.03870	0.3
361.11331	0.5
379.12570	1.2
397.13452	77.0
398.13794	6.0
415.14539	33.9
416.14893	2.8
593.27295	1.0
599.45532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54466	0.4
53.49774	0.5
57.03239	4.1
58.00399	0.8
59.01168	22.8
59.01500	3.0
70.38369	1.2
71.01163	34.0
72.99097	1.2
73.02773	0.8
73.46738	0.5
83.01202	0.8
85.02723	16.1
87.00656	0.8
89.02210	14.8
95.01157	1.2
97.05688	0.4
101.02317	10.3
103.03885	47.4
104.04134	0.9
113.02316	5.8
117.05370	0.8
119.03397	7.7
119.08485	0.6
121.02645	0.5
129.93370	0.4
131.03273	0.6
133.97809	0.5
134.33167	0.5
143.03256	1.1
143.38445	0.5
145.04852	1.0
149.04256	0.7
157.04961	7.4
161.04364	1.1
161.05693	0.6
163.07533	10.8
164.07837	0.6
179.05405	2.1
187.07376	0.8
189.05412	1.2
203.10637	0.6
205.08492	0.9
221.11746	2.3
247.07800	12.5
247.10028	1.9
248.08250	0.5
252.96774	0.5
265.09094	62.2
266.09421	2.9
288.53595	0.5
289.10721	0.8
427.15839	1.8
513.19763	13.2
514.19971	1.5
675.24988	100.0
676.25232	16.4
676.36798	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2665
Annotation	11-epi-Azadirachtin D
Peak:m/z	Relative Intensity
52.12577	1.4
57.03299	2.2
59.01247	31.2
61.98706	8.8
71.01252	16.0
71.10078	3.1
72.99151	1.7
75.00752	1.9
81.03291	1.8
83.01208	3.2
85.02830	9.7
87.00734	2.6
88.98627	2.3
89.02288	5.5
92.33541	1.3
93.03291	3.5
94.17681	1.3
101.02324	8.5
103.03843	3.7
106.06468	1.4
107.03709	1.5
107.04858	2.2
108.00629	1.2
108.02003	2.9
108.04364	3.8
108.08062	20.1
113.02225	4.7
113.05873	2.5
119.03315	2.1
119.04838	4.2
121.02851	6.3
122.03064	1.9
122.06009	14.6
123.04327	1.4
127.03783	1.9
130.02768	1.4
132.04436	14.5
134.05904	5.7
135.64194	1.4
136.03844	1.6
136.07468	4.8
137.02226	2.9
143.80144	1.4
145.02788	1.8
148.22462	1.4
149.02258	2.0
150.03036	2.2
150.05505	24.4
151.00212	2.1
152.00911	1.4
152.06982	5.4
156.81291	1.5
158.02277	4.4
160.02779	1.3
160.03943	15.8
161.04485	1.9
161.09520	2.2
162.05440	3.7
163.03821	1.7
165.05360	1.6
167.03343	1.6
176.03406	7.1
176.06963	3.2
177.01721	1.6
180.03925	1.4
184.07385	1.6
190.02545	1.9
190.05013	23.4
191.05582	1.5
192.06493	1.6
195.06429	1.7
205.04901	2.1
205.08553	1.9
209.11658	3.9
211.12202	2.4
215.11658	4.0
223.05914	1.3
223.08572	2.0
224.09421	6.3
225.10020	2.1
226.07195	2.3
227.08047	3.0
229.13400	1.7
237.10089	2.2
239.07957	2.3
239.11827	21.2
240.10066	4.0
241.09839	6.7
241.13470	1.9
243.11166	4.0
244.12059	2.1
253.06221	14.5
253.09079	2.2
253.13261	1.4
255.07469	2.7
255.11314	7.0
257.09125	6.0
259.10614	4.0
265.09378	6.8
266.07629	1.6
267.07651	8.0
268.08554	9.2
269.04514	2.1
271.14471	8.9
272.11392	4.3
275.10098	4.8
281.09296	8.5
281.11899	1.8
283.10864	100.0
284.11240	6.5
290.12524	1.9
309.08731	16.2
315.13419	3.2
325.11847	2.9
327.09824	11.8
327.80133	1.5
334.11298	2.7
341.11349	7.5
349.13962	25.8
350.14072	2.3
359.12424	14.7
385.09756	1.6
418.17303	2.3
525.30072	2.1
539.22717	2.1
581.23993	7.8
583.21393	5.1
585.31421	5.8
599.24158	4.7
615.24432	16.2
616.24316	3.0
625.23065	22.0
626.22626	3.7
631.26801	4.8
643.24054	10.5
644.23651	3.0
657.25519	64.2
658.25787	14.4
675.25964	52.8
676.27032	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	675.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	4.5
59.00957	1.5
59.01246	24.0
59.65349	0.9
71.01254	29.1
71.52479	1.8
72.01564	1.2
72.99178	2.2
73.02813	1.8
83.01266	1.8
85.02822	20.7
85.41933	1.1
87.00761	2.6
89.02316	13.1
93.03322	2.1
93.21592	0.8
94.50298	1.0
95.01225	1.1
95.03979	1.1
96.95878	1.4
99.04361	0.9
101.02320	11.8
103.03885	42.1
106.04093	1.0
108.02041	2.3
109.02844	1.6
111.00747	1.3
113.02337	7.7
119.03415	6.6
119.04897	1.3
121.02828	2.0
134.03674	1.1
135.00735	0.9
135.04353	1.2
137.02309	1.4
145.04965	2.0
149.02385	5.6
149.05957	3.1
152.01105	2.2
153.01762	1.3
157.04951	3.6
163.07520	3.6
164.04640	4.1
175.11185	2.3
177.01801	1.1
177.04053	1.1
187.07549	1.4
190.02637	1.2
197.57301	0.9
205.05061	2.2
205.08699	6.1
221.11807	12.7
223.06038	9.4
245.11768	3.3
247.10045	12.8
248.98175	1.0
265.08923	40.3
266.09604	3.4
289.10904	4.5
306.74689	1.0
315.07275	2.6
357.01126	1.0
427.15961	2.9
451.32690	1.6
453.13495	1.0
471.14993	9.7
472.16016	1.1
504.41388	1.1
513.20056	5.7
675.24969	100.0
676.25165	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	673.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.2
56.16130	0.2
57.03307	0.3
58.00456	0.2
59.01251	5.1
61.98697	0.8
66.54652	0.2
69.03345	0.3
69.59528	0.3
69.59934	1.0
71.01247	3.0
71.08214	0.2
73.02808	0.7
75.00738	0.2
80.02532	0.8
81.03328	1.2
83.01257	0.6
83.04894	4.3
84.02036	0.8
85.02812	0.8
87.00741	0.4
89.02304	1.6
89.75457	0.2
93.03357	0.4
94.93922	0.2
95.01293	0.3
95.04907	0.7
96.95890	1.0
97.02855	0.3
97.06446	0.2
99.00767	0.3
101.02312	2.1
109.06448	0.4
109.70338	0.2
111.00766	0.3
113.02317	1.1
117.03454	0.2
119.03413	0.6
119.04910	0.3
121.02785	0.2
122.03611	0.2
123.08070	0.2
125.02319	0.2
125.05950	0.4
125.09622	0.5
135.08046	0.7
139.03897	0.2
143.03328	0.2
145.04990	0.2
151.00250	0.2
160.03903	0.2
161.04459	0.8
163.11191	4.1
165.12746	2.2
169.12315	0.2
171.10170	2.6
179.05595	0.2
181.12233	0.5
185.11755	0.4
191.10640	1.0
199.13307	0.4
207.10092	0.3
207.71257	0.2
209.11763	100.0
210.12099	5.2
211.13370	0.9
221.11719	0.2
223.13135	0.2
225.11278	0.5
227.12833	13.3
228.13138	0.7
235.08200	1.9
247.13351	1.5
253.09248	5.6
253.11903	0.3
254.09508	0.2
265.14429	0.4
269.04507	0.3
305.13953	0.5
401.23013	0.3
419.24692	0.3
445.20663	0.9
463.21359	0.3
509.17834	0.2
511.19714	0.2
611.30670	0.4
613.35962	0.2
629.30646	0.2
631.37878	0.2
637.32117	0.9
655.33337	0.7
673.24054	0.5
673.33978	0.6
673.41058	0.3
674.24359	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3801
Annotation	MK 7924
Peak:m/z	Relative Intensity
57.03323	3.7
58.00443	0.9
59.01249	21.9
61.98699	16.3
71.01255	11.2
71.52721	1.1
72.99174	1.2
73.02810	4.8
75.00755	1.4
78.95695	0.7
79.75152	0.7
81.03326	0.8
83.01266	2.5
83.04901	2.3
85.02814	6.0
85.74029	0.7
87.00747	1.7
89.02313	4.3
93.03330	2.9
95.01268	1.9
96.95881	2.2
97.02824	2.3
99.00748	1.3
99.04404	1.1
101.02323	7.3
103.03887	2.1
106.23251	0.7
107.01273	0.9
107.04938	1.1
108.02053	2.1
109.02814	2.3
111.00742	2.2
111.04404	1.6
111.40098	0.7
112.64656	0.7
113.02327	4.4
113.05975	1.5
113.48582	0.7
116.92739	1.1
117.67137	0.7
119.03367	2.2
119.04911	2.2
120.99513	0.8
121.02832	2.6
121.06470	1.5
121.33810	0.6
121.70003	0.7
122.03617	1.4
123.04399	1.6
123.08031	1.5
125.02289	1.0
127.11167	0.8
134.03647	1.3
135.04413	2.5
136.05197	33.9
137.02321	3.1
137.05707	1.0
137.09592	2.0
143.03404	1.2
145.02785	0.8
147.08047	1.8
148.05182	0.9
149.02353	1.8
149.05966	6.4
149.09572	1.4
150.03090	1.8
150.06735	3.2
151.00346	2.0
151.03802	1.0
151.07632	1.0
152.01053	1.4
152.07042	1.0
153.01872	1.2
155.10654	0.9
160.03906	0.9
161.04491	2.2
162.06755	1.7
163.03964	1.3
163.07558	1.5
164.04701	1.9
164.08351	2.9
165.05463	1.6
165.09116	28.0
165.12772	1.1
170.34512	0.7
174.05536	1.7
175.00328	0.8
175.07507	1.0
179.07082	1.0
181.04979	1.5
184.07562	1.4
185.08017	0.8
190.02690	1.8
195.06656	1.5
195.13879	3.2
205.05083	1.4
209.11783	14.0
210.12120	1.4
223.06117	2.2
227.12846	2.7
239.10797	0.9
239.12755	4.4
241.14397	2.9
253.09218	1.3
261.18530	1.1
265.09396	1.6
269.04510	5.8
270.04819	1.4
271.06110	1.9
305.14053	3.7
327.08246	0.9
337.20087	0.8
345.22763	5.6
450.29532	1.6
465.32162	11.9
466.32712	2.3
492.30963	1.8
493.31992	4.0
510.31949	2.6
511.32739	27.7
512.32861	4.4
523.29077	1.7
541.30090	1.3
565.30261	3.0
570.18683	0.9
577.15784	2.1
583.30988	2.5
673.38062	100.0
674.27649	1.0
674.38391	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	673.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	66.8
61.61097	1.6
61.98689	8.7
68.30052	2.1
69.17424	1.8
71.01257	23.8
71.52679	2.7
72.99217	2.1
73.02808	7.4
75.00739	2.0
81.03344	3.6
83.04894	7.0
85.02814	7.0
87.00739	3.8
89.02304	8.3
90.82695	2.1
92.82187	1.9
93.03337	3.3
95.01247	2.2
95.04904	2.2
97.02818	4.8
99.00771	2.7
101.02303	11.7
101.05951	3.3
109.02807	2.2
109.06483	9.7
111.08141	2.2
113.02309	8.2
119.03371	4.5
119.04921	2.6
121.02859	2.5
125.02325	3.4
125.05962	2.8
125.09582	4.1
133.05026	1.8
134.58888	1.8
135.02890	4.4
135.08064	4.0
139.07567	2.8
160.03859	2.3
161.04431	4.1
163.11211	10.3
165.12723	4.2
171.10139	18.9
181.12173	2.5
183.13826	24.3
193.12196	2.8
199.09656	27.1
199.13319	5.3
201.11246	12.3
207.10204	25.1
209.11757	100.0
210.12111	4.5
211.13335	87.9
212.13652	7.0
215.12830	5.7
223.13258	1.9
225.09285	2.5
225.11270	28.2
226.11604	4.1
227.12819	20.5
235.08186	8.8
243.12511	2.2
253.09259	16.5
300.95538	2.0
326.92612	2.3
383.22559	5.2
401.23184	8.3
408.13089	2.2
419.24136	4.0
435.18460	5.0
443.19110	4.2
445.20639	3.8
447.22278	5.3
461.20102	8.4
463.21539	3.1
593.30145	3.1
611.30444	6.4
613.37585	3.0
619.31195	31.2
620.31567	4.8
629.31433	5.4
637.32245	18.4
638.32391	3.0
655.33203	17.0
656.33850	4.7
673.33978	26.4
674.33893	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	673.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00456	1.5
59.01247	60.7
61.98680	4.0
68.04333	1.2
70.34357	3.5
70.34759	2.8
71.01250	17.8
73.02812	6.8
73.24321	1.5
78.95699	1.4
81.03329	1.9
83.01259	1.8
83.04877	4.7
85.02805	4.5
87.00764	1.3
89.02298	5.7
93.03325	2.1
93.64732	1.2
95.04889	1.8
97.02822	2.1
97.06425	1.9
99.04357	1.5
101.02319	11.2
101.06004	1.2
107.01279	1.4
109.06458	5.7
113.02325	6.6
119.03408	2.6
119.04889	1.4
122.06026	1.4
125.02350	1.4
125.09624	2.4
132.55246	1.2
137.09613	1.7
152.07074	1.4
155.10620	1.2
161.04440	4.1
163.11156	4.8
165.12767	3.2
171.10185	10.5
172.75757	1.3
181.12247	1.6
183.13797	18.8
185.11797	1.5
193.12221	2.8
199.09685	15.1
199.13292	4.0
201.11221	6.2
207.10191	18.2
208.10492	1.5
209.11768	58.0
210.12140	3.1
211.13332	100.0
212.13640	5.3
215.12793	5.0
223.13309	1.5
225.11255	17.8
226.11615	1.7
227.12849	14.4
235.08195	8.4
241.14410	2.7
245.08183	2.3
247.13226	1.5
248.97968	1.3
253.09265	10.6
283.15289	1.4
352.32147	1.7
383.21954	3.1
401.23254	4.7
417.17554	1.8
419.24329	2.6
435.18588	2.1
443.19128	1.5
447.22345	6.8
461.20081	3.9
468.32248	2.2
469.33017	1.9
593.29291	4.3
599.70593	1.6
611.30518	6.9
613.37012	4.3
629.31610	4.9
637.32117	11.3
655.33331	14.0
673.24359	2.7
673.33801	12.2
674.34747	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	673.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	2.6
59.01247	15.3
61.98704	7.7
69.03287	1.1
70.85819	2.0
71.01250	47.9
72.44404	0.9
72.99151	1.5
73.02818	4.2
75.00725	0.8
76.46078	0.8
78.95757	1.4
79.39548	0.9
80.02546	1.4
81.03317	2.7
83.01252	2.5
83.04897	5.3
85.02805	2.8
87.00734	2.6
89.02299	5.1
95.01257	1.5
95.04893	1.5
97.02819	3.3
99.00745	3.4
101.02325	10.0
107.04914	0.8
109.06483	6.7
110.03544	0.9
111.00755	1.0
111.04343	1.1
113.02340	5.5
119.03413	0.8
121.02869	0.9
121.39404	1.1
125.09583	3.2
131.03400	1.0
135.07948	1.0
139.46414	0.9
145.04924	1.0
153.12692	1.1
155.10712	1.7
155.14330	1.0
161.04463	3.2
163.11177	9.0
165.12738	3.5
171.10182	11.0
171.13788	1.2
181.12274	5.0
183.13820	11.5
185.11734	3.9
191.10637	1.4
193.12263	1.6
197.11703	1.3
198.09099	1.9
199.09547	1.4
199.13324	28.4
200.13692	1.8
201.11275	8.6
207.10213	24.4
207.13763	1.4
208.10658	1.0
209.11758	75.4
210.12102	4.4
211.13324	100.0
212.13676	5.3
215.12810	2.0
225.11275	22.9
227.12836	80.5
228.13240	5.2
229.14389	2.6
235.08156	5.4
235.13245	1.9
243.12367	1.9
245.13730	2.0
247.13367	2.3
249.14949	1.3
253.09256	14.2
253.14542	2.1
265.14291	1.2
277.09106	1.2
339.23352	1.0
357.89639	1.0
373.23782	2.0
383.22330	2.1
391.24942	2.2
401.23175	6.9
408.61404	0.9
419.24277	4.5
437.24869	1.0
443.19049	1.1
445.20645	1.6
447.22263	2.1
453.20911	1.0
461.20331	4.0
463.21805	14.7
637.32245	9.1
638.32068	1.5
655.33380	11.5
656.33539	3.0
659.37537	1.0
673.34229	19.4
674.34882	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	673.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	0.8
57.03323	1.6
58.00451	0.6
59.00954	1.2
59.01251	23.9
60.01591	0.6
61.98704	8.8
64.91153	0.5
69.22035	2.0
69.22452	4.3
71.00860	0.7
71.01247	12.1
71.04885	0.6
72.99172	1.8
73.02811	5.4
83.01262	2.3
83.04909	0.9
85.02818	6.0
87.00725	2.2
89.02322	5.3
93.03352	1.6
95.01279	1.4
96.95901	0.8
97.02814	0.8
99.00746	0.8
101.02328	7.9
103.03848	1.1
106.04104	0.6
107.04899	1.2
108.02032	1.6
109.02837	1.3
111.00797	1.1
111.04379	0.6
111.98676	0.6
113.02310	4.0
115.00182	0.7
119.03382	2.3
119.04886	2.1
120.99542	0.7
121.02838	2.6
123.00752	0.8
123.04451	0.7
125.02348	2.6
129.01828	1.2
134.03506	0.7
135.04402	1.3
137.02336	2.5
143.03468	0.6
145.02943	0.9
149.02351	6.1
149.05919	0.7
150.03000	0.8
151.00325	1.1
152.01054	1.5
161.04437	0.8
163.03885	1.3
164.04684	6.2
165.05258	0.6
175.03896	1.1
175.11145	1.0
181.04951	2.4
187.11182	0.7
190.02739	1.0
195.06587	1.0
196.03731	5.8
233.11826	0.7
235.05992	0.8
241.14381	0.8
245.11807	6.1
246.12166	0.9
255.12473	1.3
261.14972	0.6
263.12851	15.1
264.13162	1.3
265.09384	1.5
265.80679	0.6
268.03421	0.7
269.04626	0.9
276.88953	0.7
305.13870	1.1
334.12796	0.7
393.15533	1.4
407.09695	1.0
407.11801	0.8
407.17062	7.3
425.18176	41.8
426.18402	5.0
467.19211	100.0
468.19556	13.1
475.19388	1.1
477.50262	0.7
523.28790	0.7
583.31128	1.1
673.23535	3.4
673.46375	1.4
674.24506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.3
59.01244	13.0
61.67668	1.2
61.98692	6.2
71.01259	6.6
71.36028	1.3
71.53104	1.2
72.99162	1.3
73.02795	4.1
75.06883	1.1
78.91753	3.4
83.01219	2.4
85.02808	3.8
89.02308	4.0
92.06087	1.1
93.03326	2.2
94.06478	5.9
96.95905	1.5
101.02305	3.5
106.06473	2.0
107.03642	18.0
107.04846	1.4
108.02038	3.2
109.02820	2.4
113.02331	2.5
115.76669	1.4
119.03296	1.6
119.04865	1.5
120.04445	2.1
121.02824	3.6
122.06001	81.9
123.06290	2.3
124.03878	3.9
134.06024	6.1
135.04384	2.2
136.03889	5.6
139.02693	6.2
149.02289	2.1
150.05460	3.5
151.00189	1.5
152.00972	3.3
152.07074	100.0
153.01836	2.5
153.07413	2.7
163.03938	2.0
170.42856	1.5
177.01805	2.1
205.04866	1.6
209.11774	13.0
227.12779	2.1
241.14279	1.6
242.14719	1.5
263.08093	1.7
265.09302	5.3
269.04468	2.3
276.09088	1.7
277.09637	2.4
289.09540	1.4
305.13809	1.8
315.07236	4.7
330.12131	1.8
339.06992	2.6
342.12518	3.2
356.10141	2.8
356.14218	2.1
357.11179	1.6
358.11761	1.6
359.13840	1.8
371.12695	2.4
372.13385	3.3
383.06058	2.6
384.13565	2.4
385.14368	2.0
386.11249	4.6
386.15079	5.6
398.11005	1.9
399.11929	1.6
400.12939	2.0
401.13660	1.9
402.14420	3.7
404.16113	3.7
414.14426	8.6
417.13229	5.8
426.14438	4.2
430.13989	2.7
432.15567	30.9
433.15952	4.7
442.17535	2.1
444.15500	11.5
445.15851	2.5
445.93021	1.5
463.17926	1.5
464.18155	6.6
553.24164	2.4
567.22583	1.9
569.23657	5.7
597.23505	99.5
598.23816	17.3
629.26141	55.1
630.26392	9.8
641.22449	53.0
641.31293	1.0
642.22900	9.1
673.25067	57.5
674.25269	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	671.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73737	0.4
56.02063	0.4
57.00091	0.4
59.01240	1.7
59.76895	0.3
61.05993	0.3
61.98689	0.3
71.01238	2.0
71.52182	0.6
73.02820	3.4
80.02523	1.4
85.02813	5.4
87.04385	19.6
97.06483	0.7
99.04380	0.6
106.04112	2.9
121.10113	14.3
122.10455	0.4
149.09613	100.0
150.09941	4.6
167.10649	1.9
183.09256	0.5
250.93570	0.4
296.89514	0.4
373.27414	2.3
387.29028	0.8
399.29147	0.5
417.30139	0.5
447.31198	0.8
523.37555	2.4
524.38428	0.6
535.37744	3.2
536.38544	1.0
549.39618	1.4
567.40515	21.6
568.40759	4.6
579.39978	0.7
597.41565	63.9
598.41895	13.1
605.42383	0.7
623.33380	0.8
623.43140	12.8
624.34143	0.4
624.43207	2.3
671.45612	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	672.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88021	0.1
57.03322	0.2
59.01244	1.4
61.98701	100.0
62.98404	0.2
71.01254	0.7
71.53173	0.2
73.02827	0.3
77.43051	0.1
79.95580	0.3
83.01280	0.1
85.02833	0.7
87.00780	0.2
89.02319	0.4
93.03346	0.2
96.95896	1.1
101.02335	0.5
103.03889	0.3
106.04226	0.1
108.02081	0.2
113.02351	0.3
119.03424	0.1
119.04954	0.2
121.02840	0.2
125.02361	0.1
129.01849	0.2
137.02368	0.4
144.27538	0.1
149.02322	0.2
151.00250	0.2
151.03871	0.1
153.09114	0.2
160.04015	0.1
161.04463	0.2
161.09735	0.1
162.66812	0.1
164.04666	0.2
165.01917	0.1
175.00342	0.3
181.04922	0.1
190.02643	0.8
191.01944	0.2
192.23488	0.1
205.04955	0.9
223.06145	0.3
241.14621	0.1
255.12372	0.2
269.04477	0.2
416.83365	0.1
513.59167	0.1
576.52362	0.1
609.25647	1.0
643.24365	0.2
644.25763	0.3
672.27704	0.5
673.25763	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55763	0.3
54.39929	0.3
57.03327	0.2
59.01251	4.3
61.98705	2.2
71.01254	4.3
71.52332	0.3
73.02809	1.4
75.00739	1.2
83.01250	0.3
83.04886	0.6
84.02032	0.3
85.02820	0.4
89.02279	0.7
96.95921	0.3
97.02830	0.3
97.06447	0.3
99.00747	0.7
99.92455	10.0
99.93085	0.5
100.92472	0.3
101.02322	1.1
101.05975	0.3
105.67010	0.2
109.06457	0.7
113.02357	0.6
114.05515	0.3
114.93325	0.3
115.03889	0.4
116.92739	100.0
117.01822	1.3
117.05465	0.5
117.92744	5.0
135.08052	0.3
161.04471	0.4
163.11211	0.8
165.12703	0.7
171.10240	1.5
181.12254	0.5
183.13815	1.1
199.09694	0.5
199.13382	2.3
201.11256	0.9
207.10262	2.3
209.11763	8.8
210.12227	0.3
211.13309	7.9
225.11230	2.5
227.12845	5.7
235.08224	0.7
247.13327	0.3
253.09274	1.3
277.79745	0.3
328.75967	0.3
401.23257	0.5
419.24298	0.4
461.20029	0.4
463.21887	0.9
570.16962	0.4
602.16095	1.8
613.37628	0.4
637.32629	0.5
655.33624	1.4
673.33630	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	671.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22795	0.3
58.00474	0.4
59.01244	1.6
61.98695	0.6
64.61648	0.3
67.01752	0.4
69.61997	0.6
69.62408	1.4
71.01250	2.4
73.02439	0.6
73.02819	5.9
77.81017	0.3
79.05402	0.5
80.02551	1.5
85.02821	4.7
87.04388	9.4
97.06490	0.5
98.19750	0.3
99.04412	0.4
106.04111	3.1
115.47559	0.3
119.08526	0.4
121.10117	14.6
122.10485	0.3
131.08620	0.3
146.37900	0.3
149.09618	100.0
150.09943	4.0
162.56590	0.3
167.10713	1.7
209.11751	0.6
351.77682	0.3
373.27338	2.3
387.28815	0.7
399.29028	1.2
401.31818	0.3
417.30096	0.6
447.31110	0.7
523.37915	3.2
524.38519	0.6
535.38025	3.3
536.38373	0.5
537.39886	0.4
542.75659	0.3
549.39679	1.4
550.40045	0.4
553.38953	0.8
557.57629	0.3
567.40497	23.7
568.40753	4.4
579.40558	0.9
597.41571	66.2
598.41895	13.5
605.41931	1.7
623.43182	7.1
624.43500	1.7
671.45325	6.4
672.45160	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	671.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79606	0.3
57.03326	0.4
59.01245	2.2
61.98685	0.6
69.03342	0.3
69.32229	3.1
71.01250	2.8
73.02817	5.3
79.05398	0.4
80.02546	1.5
85.02820	4.3
87.04384	13.5
87.41690	0.4
87.94979	0.4
97.06454	0.9
98.19813	0.7
99.04401	0.5
106.04118	2.8
119.08522	0.5
121.10114	15.9
122.10469	1.0
124.05199	0.3
147.08093	0.4
149.09616	100.0
150.09956	4.7
167.10724	1.9
196.54936	0.3
199.09615	0.4
253.21667	0.9
313.59717	0.4
332.59683	0.3
358.83441	0.3
373.27466	2.6
387.29050	0.8
399.29010	1.1
405.58521	0.4
411.29233	0.5
417.17096	0.4
417.30087	0.5
447.31186	0.9
448.31152	0.4
523.37885	3.2
524.38086	0.6
535.37927	4.4
536.38593	0.7
537.38635	0.5
540.88226	0.3
549.39429	1.2
561.39227	0.5
567.40485	23.7
568.40839	4.7
579.40430	0.8
597.41583	66.3
598.41888	14.1
598.51477	0.4
605.41901	1.0
623.43140	10.5
624.43585	1.9
671.45111	3.8
672.45282	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.401
Annotation	Guineamide D
Peak:m/z	Relative Intensity
51.00374	0.3
57.03321	0.8
59.01244	2.7
61.98706	0.7
69.80049	1.3
69.80460	0.5
71.01230	1.6
72.60889	0.4
73.02789	0.4
83.04873	0.4
85.02819	1.2
87.00752	0.8
89.02278	0.3
99.04391	0.4
101.02329	1.1
109.06509	0.4
113.02322	1.0
115.57539	0.4
117.70681	0.3
127.11161	0.5
135.08032	0.8
136.05229	0.8
137.09572	0.6
139.07518	0.3
149.05981	5.8
150.06766	39.0
151.07178	1.6
155.10670	0.8
161.09645	0.7
162.06801	0.8
163.07562	8.9
163.11134	0.4
164.08348	6.1
165.08913	0.3
171.10159	0.4
176.08331	1.5
176.15474	0.3
177.09102	0.9
178.09909	2.9
179.10693	12.5
180.11086	0.5
185.94675	0.4
193.08623	0.5
207.10153	0.8
209.11737	1.8
225.11295	0.9
271.05856	0.4
327.25311	0.9
329.23337	5.2
430.30841	0.9
445.33221	0.8
448.31848	7.8
448.82385	0.4
449.32117	1.3
462.33383	1.2
463.34274	11.8
464.34445	1.7
490.32965	2.5
491.33670	2.9
508.34000	2.8
509.34778	27.8
510.35272	4.1
595.22369	0.4
671.40118	100.0
672.40369	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.1
58.51855	0.5
59.01255	6.9
61.98705	4.6
69.26823	4.4
71.01248	4.4
72.99199	0.9
73.02798	1.7
78.91747	1.1
83.01228	0.7
85.02821	4.0
86.00185	0.5
87.00727	1.5
89.02316	2.2
93.03333	1.2
95.01263	0.7
95.04901	0.6
96.95866	0.6
97.06468	1.5
98.19805	0.9
99.04430	0.6
101.02311	2.6
108.02062	0.9
109.02851	0.6
109.31097	0.4
109.35759	0.5
111.00760	0.5
111.04382	1.1
113.02309	1.7
119.03440	0.8
119.04892	0.8
121.02859	1.3
121.06458	0.8
122.03619	0.7
123.04369	1.0
123.08068	1.5
125.02328	0.6
127.17767	0.4
135.04411	1.5
135.08035	0.5
136.05202	22.7
137.02344	1.5
137.05704	1.1
137.09642	0.7
147.08029	0.9
148.05124	0.5
149.06017	4.3
150.06781	3.4
151.00249	0.9
161.04439	0.6
163.03897	0.9
163.07524	1.2
164.04655	1.2
164.08409	2.3
165.09132	21.3
166.09441	1.1
176.01057	0.6
179.10614	0.7
182.96202	0.4
190.02698	0.9
191.01869	1.2
205.04962	0.7
209.11595	0.7
223.06042	0.8
225.11238	0.5
229.10765	1.3
241.14392	0.8
265.09222	0.6
269.04352	0.9
271.06491	0.5
285.04193	0.6
306.18274	1.3
321.20718	2.4
343.21194	5.2
344.21414	0.8
350.20941	3.4
427.28534	2.6
429.29828	0.7
430.27155	0.5
445.29446	2.0
457.66714	0.5
463.30637	7.0
464.30920	0.9
465.11847	1.4
467.09628	0.6
491.19598	0.5
491.30316	2.7
492.29590	0.6
495.12997	0.7
508.30438	3.5
509.24335	0.9
509.31146	24.7
510.31522	4.7
565.51886	0.5
671.36456	100.0
672.36798	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	671.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.5
59.01251	11.6
61.98702	6.1
63.69492	0.5
63.72530	0.5
69.03313	0.5
69.17863	3.7
69.18267	0.8
71.01249	6.8
71.04905	0.5
72.99186	0.5
73.02811	1.8
75.00734	0.5
82.51116	0.4
83.01244	1.2
85.02805	3.9
87.00752	1.5
89.02338	2.2
93.03337	1.1
95.01254	0.5
97.06448	1.0
101.02322	4.0
103.03868	0.8
107.04898	0.8
108.02047	0.9
109.02847	0.8
109.03955	0.4
109.09314	0.5
109.20300	0.4
111.00717	0.8
111.04393	0.9
111.08017	0.8
113.02343	2.5
115.03870	2.5
119.03374	1.1
119.04890	1.3
121.02866	1.0
121.06455	1.2
122.03609	0.6
122.22078	0.6
123.08064	1.2
134.03571	1.3
135.04396	1.3
136.05196	26.2
137.02303	0.7
137.05992	0.8
137.09601	0.8
147.08031	0.8
148.05165	1.5
149.02322	0.6
149.05991	5.2
150.06755	2.8
151.00374	0.5
151.07423	0.5
152.01105	0.8
153.01834	0.8
161.04466	2.0
162.06715	1.3
163.03909	0.6
163.07526	1.0
164.08334	3.2
165.09116	26.2
166.09396	1.8
169.91959	0.5
171.10132	0.5
179.07045	1.0
189.09076	4.2
190.02692	0.5
205.04907	1.1
207.10197	0.6
209.11769	0.5
219.64059	0.5
223.05981	0.7
229.10693	0.9
231.10210	8.6
232.10410	0.7
233.10229	0.7
239.12923	0.7
241.14482	0.9
247.75253	0.5
248.14154	0.4
249.11215	0.5
261.18597	0.5
265.09250	1.6
269.04553	0.9
277.09280	4.1
285.04141	0.5
299.18622	0.5
306.18188	0.6
307.19055	1.2
321.20740	1.6
335.87045	0.4
343.21246	6.3
350.20917	2.8
427.28543	2.0
431.64426	0.6
445.29596	1.8
448.28146	0.6
463.30594	8.6
464.30563	1.4
490.29248	0.8
491.30179	2.4
508.30368	3.0
509.31122	28.9
510.31424	4.5
551.32861	0.6
567.35413	0.6
611.34467	1.1
671.36438	100.0
672.27081	1.0
672.36798	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54949	1.0
55.01758	1.9
56.23383	1.0
57.03316	3.1
59.01248	65.5
61.98691	3.9
68.25454	1.0
69.03319	1.1
70.90643	3.3
71.01249	26.9
72.99170	6.4
73.02821	7.3
75.00740	4.1
83.01237	5.5
83.04871	2.3
85.02820	10.5
85.99944	2.4
87.00733	3.3
89.02310	5.9
93.03365	1.7
95.01241	3.1
97.02839	2.3
99.00755	25.0
100.01520	2.4
101.02310	17.1
109.06486	1.3
111.00751	9.7
111.04384	1.4
113.02328	8.7
113.99465	58.3
115.00232	5.2
117.01814	1.2
119.03372	1.7
121.02846	1.2
125.02361	2.2
128.01050	3.0
129.01814	5.6
134.05969	5.1
138.06708	2.8
139.80998	1.0
151.07512	5.2
153.09105	8.4
155.99310	1.9
156.00533	29.1
161.04448	1.9
163.11179	1.5
171.10240	1.4
174.01622	24.4
174.03130	1.9
175.02283	1.8
179.05461	1.2
181.12187	1.7
207.10182	4.7
209.11757	10.7
211.13358	2.7
225.11298	9.2
227.12842	1.8
243.12320	1.6
245.08160	3.4
255.12399	8.4
279.12244	2.4
283.10715	2.0
319.22876	1.7
461.20419	2.0
463.27036	1.6
467.26483	3.7
469.28027	1.4
479.26147	6.7
481.28070	3.5
485.27377	2.3
497.27301	3.7
507.25906	3.3
509.27530	49.4
510.27673	4.2
511.29013	4.6
523.28998	3.2
525.27002	2.9
527.28558	18.5
528.28717	3.0
549.27094	1.5
565.30280	1.8
567.28052	100.0
568.28351	14.6
579.28180	6.8
609.29089	2.8
611.36847	1.4
612.35229	1.3
639.21466	2.7
671.39203	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	671.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87221	0.4
57.03307	0.8
57.54227	0.4
59.01252	3.1
69.03326	1.1
69.20789	0.5
69.21093	4.9
71.01253	6.1
73.02810	1.3
81.03339	1.4
83.01247	1.2
85.02818	6.1
89.02320	0.6
93.03355	0.8
95.01263	3.0
96.95855	0.5
97.02848	0.5
98.20608	0.7
99.00773	1.2
101.02315	2.7
107.30285	0.4
108.02049	60.1
109.02849	30.4
109.03616	1.0
110.03171	0.6
111.00784	0.9
113.02331	2.3
121.02819	2.1
122.03630	2.7
123.00782	2.4
123.04411	1.3
124.01588	1.0
125.02342	2.1
133.02867	1.1
135.00754	2.9
135.04404	0.8
136.01584	2.6
137.02351	7.4
138.02884	0.4
149.02316	2.7
150.03125	9.0
151.03918	7.9
152.01053	68.9
152.04626	1.8
153.01846	26.1
154.02199	0.7
159.02841	0.5
163.03905	1.4
165.01839	1.9
167.03333	2.8
177.01849	10.4
178.02625	29.7
179.03426	4.3
181.04947	0.6
193.04988	21.0
194.05341	1.1
195.02950	3.5
196.03668	5.5
206.08180	1.1
211.06059	2.2
314.78900	0.4
315.07217	15.6
316.07581	0.8
357.08182	1.2
449.17920	0.8
509.13028	8.5
510.12863	1.2
567.20233	0.5
594.28235	0.4
599.51385	0.6
671.18213	100.0
672.18573	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	671.256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18103	0.7
55.01744	2.6
55.37013	0.8
57.03321	13.3
59.00964	1.2
59.01250	22.3
61.98695	5.4
65.03860	0.9
68.99682	1.2
71.01249	16.4
71.53031	0.9
72.99145	2.6
73.02817	6.2
74.98940	0.8
75.00729	4.4
83.01249	4.6
83.04858	1.0
84.02018	3.5
85.02823	100.0
86.03160	1.0
87.00735	2.5
89.02319	5.6
93.03336	20.5
95.01289	1.2
96.95865	2.0
97.02792	0.9
99.00768	2.1
101.02309	5.4
103.00267	1.7
103.03889	1.2
107.04913	1.8
108.02074	3.9
109.02842	3.0
109.06468	0.8
111.00758	6.3
113.02345	4.4
115.00222	1.7
119.03366	2.0
119.04903	3.5
121.02837	3.2
122.03589	3.0
123.00753	1.0
123.04429	1.2
125.02301	2.5
129.01833	14.5
134.03583	1.3
135.04393	1.5
135.78809	0.8
137.02341	36.0
143.03326	1.6
147.01794	1.2
147.02898	21.0
147.08015	3.6
149.02255	2.4
150.03108	2.2
151.00230	1.0
152.01021	2.6
153.01799	2.3
160.03876	1.9
160.05136	0.9
161.04388	2.2
161.05853	0.9
163.03867	2.8
164.04689	1.6
165.05447	1.7
169.01218	1.1
173.00777	2.4
174.80771	0.7
175.03885	2.7
175.07564	2.0
177.01805	1.8
177.09056	3.6
190.02565	2.5
191.01891	66.5
192.02162	2.6
193.04941	1.7
195.06630	1.1
201.04140	1.6
203.03667	0.8
205.04961	2.7
209.02946	1.1
216.06563	2.0
221.08264	1.3
223.06046	1.4
241.14474	1.7
243.13795	1.8
260.05386	1.3
261.14966	1.0
265.09158	1.9
269.04367	1.8
284.03040	0.8
285.03906	2.8
305.13968	8.3
306.14093	1.1
347.14865	2.3
467.19382	4.2
468.19080	0.9
479.22891	4.8
509.20255	11.1
510.20438	1.7
551.21503	1.2
567.21234	1.1
609.25391	1.3
611.22839	1.0
627.23193	0.8
653.24445	1.6
671.25293	29.2
671.36206	1.5
672.25629	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	670.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36362	0.6
59.01249	56.8
60.01588	6.3
61.01670	4.5
61.98701	100.0
68.74632	0.5
71.52693	0.7
73.02818	1.5
73.63493	0.5
81.03326	0.5
121.02837	10.9
122.03193	1.7
124.67773	0.6
209.11674	0.6
297.18253	0.5
339.02713	0.5
360.45538	0.6
383.68436	0.5
422.21262	0.5
504.32065	0.9
534.33313	0.6
551.33905	3.9
552.34100	10.6
553.34381	0.9
561.35455	1.0
562.35529	1.4
609.37726	1.8
610.37994	7.8
611.38824	0.9
670.97253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28304	0.5
59.01247	37.7
60.01583	3.6
61.01668	2.8
61.98698	100.0
69.22951	4.7
71.01272	0.6
73.02809	0.6
98.19889	1.6
98.20571	1.0
121.02834	8.3
122.03201	1.9
152.99556	0.5
165.09126	0.7
167.89786	0.4
189.23448	0.4
203.33176	0.5
338.57639	0.5
412.85300	0.5
478.30585	1.1
504.32596	0.5
551.33636	2.7
552.34180	9.4
560.34546	0.5
561.34918	0.7
562.35236	0.7
609.37573	1.6
610.38013	6.3
611.39111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52586	0.3
57.03321	0.6
58.00449	0.3
59.01246	6.1
61.98688	0.5
65.03838	1.7
67.01775	0.6
71.01253	4.5
73.02812	6.6
80.02554	0.7
83.04893	0.3
85.02824	5.2
87.03853	0.6
87.04389	12.7
88.04749	0.4
89.02311	0.7
93.03323	0.7
97.06489	1.4
99.04410	0.4
106.04106	2.1
113.02316	0.4
117.07014	0.6
118.75373	0.3
119.08549	11.2
119.13772	0.3
120.08936	0.3
121.10133	1.4
124.05232	0.4
131.04916	0.4
132.05704	1.2
145.06462	1.0
147.08060	100.0
148.08415	4.1
149.09633	1.3
165.09145	1.2
171.10201	0.5
221.11699	0.4
277.21707	11.1
278.22070	1.3
279.23260	0.4
293.21222	0.5
349.18173	0.5
373.27591	1.6
387.29065	1.2
399.29031	0.8
411.28955	0.5
417.29971	1.3
447.31058	1.5
517.89337	0.3
521.36285	2.5
533.36243	4.0
534.36932	0.5
535.37531	0.6
547.29425	0.3
547.37842	1.2
551.37311	0.5
563.37927	0.4
565.38971	28.4
566.39355	4.1
577.38812	1.2
595.39996	71.9
596.40393	12.3
603.40613	1.6
621.41571	9.0
622.41821	2.0
651.42322	0.4
669.43665	6.3
670.43976	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07428	0.3
56.23190	0.3
57.03312	0.5
59.01255	2.4
61.98697	1.5
65.03823	1.3
67.01746	0.4
70.90596	1.0
71.01245	2.1
73.02816	5.1
78.71751	0.3
79.05376	0.4
80.02542	0.4
85.02819	5.9
87.04387	19.2
88.04716	0.3
93.03336	0.4
97.06474	1.5
99.04382	0.7
103.03882	0.4
104.03378	0.4
105.06998	0.3
106.04112	2.1
119.08546	11.7
121.10102	1.0
131.04863	0.5
132.05722	1.1
145.06487	1.2
147.08052	100.0
148.08385	4.8
149.09631	0.9
165.09030	0.8
171.10074	0.5
198.84283	0.3
221.11714	0.6
277.21646	0.6
279.23260	0.4
373.27444	1.2
387.29065	0.9
399.28918	0.8
417.29968	1.3
422.97943	0.4
447.31137	1.3
521.36029	3.1
533.36414	6.2
534.36688	0.8
547.37811	0.7
551.37079	0.9
565.38940	29.1
566.39233	4.6
577.38690	0.8
595.40009	79.7
596.40338	12.2
596.49713	0.8
603.39874	0.6
621.41577	14.9
622.41425	2.6
633.41119	0.4
669.43506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02347	0.5
59.01250	6.8
61.98701	1.8
63.72731	0.5
65.03839	0.9
67.01752	0.5
71.01257	3.8
71.52789	0.8
73.02810	6.0
76.40071	0.5
79.05428	0.7
80.02551	0.8
81.03351	0.5
85.02823	6.4
87.04388	16.0
89.02325	0.7
97.06448	1.4
99.80495	0.5
101.02301	0.9
106.04140	2.6
107.30097	0.6
113.02309	0.8
119.08545	10.5
121.02831	1.6
121.10073	0.9
129.06932	0.5
132.05679	1.3
145.06483	1.1
147.08052	100.0
148.08388	4.5
149.09605	0.7
165.09116	0.7
167.20276	0.6
171.10204	1.1
221.11678	0.5
227.48383	0.5
252.64555	0.6
269.24747	1.8
270.25241	1.2
271.25436	1.0
373.27585	1.3
387.29114	1.2
398.13840	1.0
399.13971	1.4
399.28925	0.9
407.09247	0.6
415.14624	0.6
417.30063	1.9
447.31061	1.0
521.36371	2.3
521.45178	0.6
533.36249	4.9
551.35028	0.6
565.38959	28.7
566.39447	4.5
577.38824	0.9
595.39990	71.8
596.40283	11.9
603.40527	1.3
621.41455	8.7
622.41797	1.2
669.43823	5.2
670.44263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53278	1.2
55.92533	1.4
56.08370	1.2
59.01248	90.7
61.98706	12.1
65.55170	1.3
71.01258	2.8
73.02818	3.4
97.98208	1.1
98.19777	3.2
107.04921	1.7
121.02835	66.8
122.03202	2.7
168.99727	1.2
174.30933	1.2
278.49384	1.5
293.87292	1.5
296.60294	1.3
327.31763	1.2
477.30087	5.1
491.31674	4.7
503.31406	8.6
515.32043	3.0
521.32831	2.9
522.81470	1.3
533.32898	1.8
551.33728	100.0
552.33960	16.4
609.27924	2.5
609.37885	51.5
610.38275	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	669.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00498	1.0
58.75540	0.8
59.01249	97.8
60.01593	1.2
61.98700	7.1
67.01765	1.3
69.48138	0.6
70.32906	1.7
70.33302	1.4
71.01264	2.0
72.99200	1.2
73.02816	3.2
78.57522	0.7
78.95773	0.8
78.96271	0.6
81.03336	1.9
93.03367	1.1
107.04920	1.6
111.04410	0.9
121.02842	69.1
122.03178	2.3
163.07524	2.2
165.09126	1.7
188.39325	0.6
188.82962	0.6
191.54837	0.6
203.15302	0.6
292.01297	0.8
459.67996	0.7
460.26044	0.7
477.30042	5.0
491.31693	4.7
492.31766	0.8
503.31689	7.3
504.31927	0.7
515.33258	4.0
521.32813	3.0
533.32404	1.2
551.33759	100.0
552.34143	17.4
573.36969	0.9
609.37915	49.3
610.38208	10.9
611.39319	0.7
669.43158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3852
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03320	1.6
59.01252	5.0
61.98695	2.5
70.54861	1.1
71.01260	2.7
72.99166	0.4
73.02814	0.8
85.02823	1.5
86.30221	0.3
87.00732	0.8
89.02319	1.3
93.03311	0.6
96.95963	0.5
99.04385	0.6
101.02311	1.3
111.08027	0.8
113.02326	1.0
113.05972	0.6
119.03378	0.7
119.04855	0.3
125.02340	0.3
125.80019	0.3
132.79906	0.4
135.08051	0.5
136.05183	0.7
137.05954	0.9
137.09613	0.4
143.03452	0.4
149.02373	0.4
149.05984	5.5
150.06764	41.7
151.00278	0.4
151.07277	2.0
153.09091	1.0
155.10608	0.6
157.08603	0.9
161.09712	0.7
162.06766	0.8
163.03905	1.0
163.07550	8.9
164.08350	5.9
169.12233	0.7
171.10173	0.6
173.06065	0.3
176.04631	0.5
176.08371	1.8
176.09662	0.3
177.09068	0.9
178.09906	2.9
179.10683	12.0
180.10959	0.8
191.06995	0.8
193.08633	0.7
194.14172	0.3
207.10211	0.4
209.11801	0.4
225.05811	1.1
257.27185	0.3
263.20172	0.6
269.04489	1.1
279.23209	0.8
281.21194	1.0
283.18954	0.6
325.23746	0.8
327.21744	4.1
328.22141	0.4
386.45026	0.3
397.29160	0.3
402.06680	0.3
428.29434	1.5
443.31705	0.8
444.32523	0.6
445.32959	0.4
446.24582	0.7
446.30328	8.1
447.30685	1.0
452.66705	0.3
460.32147	1.6
461.32703	10.3
462.33124	1.9
488.31497	1.8
489.32111	2.2
490.32571	0.5
506.32431	2.6
507.33194	24.9
508.33667	4.5
567.15204	0.8
567.64685	0.9
627.37189	0.5
669.38513	100.0
670.38855	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52134	12.0
59.01247	100.0
61.98692	54.8
64.37395	12.7
72.27308	13.9
78.95774	24.7
96.95905	12.5
121.02836	45.4
125.09606	17.4
125.86444	11.5
126.79433	11.5
130.88481	15.3
147.08015	17.7
152.99551	12.0
153.81317	11.6
171.10207	45.6
172.10474	30.5
209.11745	27.5
277.21689	17.4
290.55917	12.6
293.21329	13.6
502.38742	13.2
536.01569	15.5
551.33527	84.2
584.96826	12.9
609.37708	24.4
647.80585	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	669.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60537	6.2
59.01245	85.8
61.98689	19.6
71.52553	12.0
73.02805	6.7
74.06817	5.4
78.95760	12.2
96.95899	13.0
103.36380	6.4
104.23028	5.3
121.02830	63.2
128.88219	5.4
141.42914	6.7
171.10161	18.2
209.11861	6.6
551.33691	100.0
552.34186	10.4
609.37970	42.6
609.47247	7.9
610.38525	7.4
647.80048	7.2
669.30170	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	669.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17978	0.5
55.01750	0.6
57.03319	2.4
59.01249	15.2
61.98705	6.0
64.39498	0.5
71.01254	6.9
71.53257	0.8
72.99173	0.9
73.02807	2.4
83.01253	1.2
85.02806	3.6
85.66839	0.6
85.99936	0.6
87.00745	1.9
88.98657	1.0
89.02318	2.5
93.03352	1.2
95.01279	0.8
96.95918	0.6
99.00743	0.8
101.02326	3.7
106.04109	0.6
107.04858	0.7
108.02032	0.8
111.00729	0.8
113.02333	3.0
116.92699	0.6
119.03400	1.1
119.04886	1.3
121.02772	1.6
123.04394	1.2
133.06500	0.8
134.03624	0.6
135.04373	1.0
135.08040	0.9
136.05199	1.8
136.19801	0.6
137.02341	0.6
137.05948	0.5
149.02299	0.9
149.05960	4.0
150.06763	25.7
151.00264	1.1
151.07413	2.2
152.00974	0.8
153.09103	1.2
155.10645	0.8
157.08604	1.3
161.04414	1.4
162.06802	1.5
163.07545	14.4
163.11171	0.7
164.08339	3.8
169.12218	0.6
169.60674	0.5
171.10156	1.1
176.08319	1.5
177.09142	1.1
178.09880	1.5
179.03403	0.7
179.05467	0.5
179.10683	9.3
191.06972	0.6
205.05019	1.4
207.10147	0.7
209.11696	1.6
223.05852	0.8
225.11269	1.3
241.14421	1.6
261.27817	0.6
279.23331	1.5
283.19202	0.6
285.04022	0.8
291.52069	0.6
308.77087	0.5
325.23825	2.4
327.21765	3.4
428.29263	0.6
443.31024	0.7
444.32565	0.6
446.30295	4.8
460.31616	3.0
461.20602	0.6
461.32751	7.8
462.33347	1.5
463.34790	0.7
488.31210	5.3
489.32175	2.2
506.32513	8.4
507.33246	20.5
508.33417	2.9
609.25037	1.0
609.36383	1.0
627.37140	1.0
669.38568	100.0
670.28247	1.2
670.38898	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	669.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03069	0.5
55.01749	1.4
57.03310	2.2
58.00460	1.1
59.01249	24.8
61.98698	6.4
66.81781	0.5
68.99670	0.6
71.01251	20.7
71.04890	1.1
71.52382	0.7
71.52750	0.7
72.99168	1.7
73.02808	4.8
75.00738	0.9
83.01259	3.5
85.02821	8.4
87.00735	1.5
88.98677	1.1
89.02319	9.5
93.03342	2.0
95.01248	1.5
96.95901	1.0
97.02810	0.6
99.00745	1.9
101.02319	12.8
102.02617	0.7
103.03893	0.7
103.84166	0.6
107.01309	0.6
108.02089	1.2
109.02831	0.8
109.06483	0.6
111.00736	0.8
113.02336	6.6
119.03370	3.3
119.04882	2.4
121.02830	1.8
121.06460	0.6
123.04370	0.8
125.02303	0.6
129.01801	0.6
134.03551	0.8
137.02293	1.3
149.02353	1.1
149.06007	0.5
151.00233	1.5
151.07523	0.5
152.01036	1.5
159.02904	0.6
161.04442	2.1
163.03870	1.2
163.11086	0.7
164.04683	0.8
165.05449	0.8
177.01833	3.6
190.02667	1.0
209.11676	0.8
255.02873	0.6
269.04520	1.1
299.05563	1.6
301.07373	1.1
327.21771	0.8
387.29053	1.6
445.33105	0.6
463.34415	4.8
464.34033	0.6
465.21313	0.8
481.21957	0.7
590.03790	0.7
609.37360	0.7
625.30005	0.8
625.39398	5.1
626.40265	1.0
669.38556	100.0
670.28601	1.2
670.38879	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	667.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73211	0.1
53.71378	0.1
58.95537	0.1
59.01248	100.0
60.01585	1.0
61.98703	0.4
71.01251	0.6
71.21591	0.4
73.02816	1.2
85.02814	0.3
87.04408	0.2
103.03924	0.2
121.02838	5.2
121.03677	0.3
124.05234	0.3
162.92070	0.2
218.63148	0.2
273.42386	0.2
435.11401	0.2
437.31277	0.2
477.30048	2.9
478.30811	0.4
489.19849	0.2
489.30569	0.3
517.33661	0.5
533.33142	0.3
559.34296	4.9
559.42725	0.3
560.35193	0.7
577.35504	1.4
607.36328	6.6
607.45892	0.3
608.36688	1.1
635.25665	0.7
636.25891	0.2
639.95374	0.2
667.28021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01583	0.6
69.20866	1.9
69.21291	1.7
71.44793	0.4
73.02831	0.7
121.02832	3.4
164.28340	0.3
171.10216	1.5
200.90356	0.3
250.88135	0.3
277.21802	1.0
283.64584	0.4
435.37466	0.4
477.30005	2.1
489.30234	0.4
559.34406	4.6
560.34283	0.8
577.35858	1.0
607.36316	6.6
608.37018	1.2
609.38275	0.5
670.43115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38627	1.1
55.01757	1.8
55.85920	1.2
57.03304	2.7
58.00431	1.4
59.01246	46.0
61.98704	14.8
67.27220	1.0
68.99688	1.5
69.36488	7.4
69.36895	2.6
71.00855	1.6
71.01248	31.7
72.99166	3.7
73.02812	8.8
75.00745	3.4
81.03323	2.9
83.01250	4.3
85.02818	15.2
87.00731	3.1
88.98710	1.3
89.02302	11.7
89.18253	1.2
91.01767	1.9
93.03338	6.1
95.01248	3.6
96.95871	2.6
97.02803	1.9
99.00749	2.6
101.01712	1.7
101.02315	20.0
103.00240	4.3
103.03849	2.9
107.01267	2.1
107.04902	2.4
108.02048	98.1
109.02856	25.7
111.00766	3.8
113.02314	10.8
116.92734	2.3
117.03293	1.8
119.03397	4.7
119.04897	7.1
121.02809	7.7
123.00783	2.5
123.04385	2.5
125.02306	3.3
133.02774	1.9
135.00743	1.7
135.04358	3.6
136.01601	1.3
137.02313	5.2
138.25546	1.2
142.97433	1.2
143.03398	1.7
145.02785	2.0
149.02332	11.5
149.05911	1.8
151.00252	4.4
151.03902	1.9
151.63330	1.2
152.01048	100.0
153.01836	25.6
160.03908	4.0
161.04384	2.7
163.03929	5.9
163.07570	1.4
164.04697	9.6
165.01822	4.1
165.05389	1.7
167.03358	4.2
173.02299	1.3
174.03075	3.9
175.00336	1.8
175.03883	2.2
179.05479	1.3
179.07007	1.6
180.04153	1.3
187.11180	1.7
190.02661	3.8
195.06586	2.8
196.03685	5.9
197.04396	1.3
202.02611	1.2
205.04968	3.0
211.03955	1.3
215.14192	1.7
217.04939	2.4
217.08553	1.5
223.05927	5.8
231.10275	1.2
233.06003	1.4
237.05516	2.8
239.12901	1.3
249.05530	2.3
249.11310	1.2
251.06953	2.6
255.02902	1.7
265.05032	2.4
265.09109	4.3
267.06656	4.5
269.04510	3.0
271.02341	2.3
271.06027	1.2
271.09900	1.4
277.05014	2.7
278.05722	1.6
279.06537	3.4
280.07306	2.6
283.09744	2.4
284.03076	2.1
285.03986	2.1
285.14975	7.6
286.03912	1.3
287.16452	12.1
289.04938	1.3
293.04520	3.4
293.08194	1.8
294.05228	4.7
294.08801	2.8
303.12674	1.9
303.15826	8.3
306.05261	2.8
308.06940	3.2
309.07596	9.0
310.07712	1.5
315.07220	16.9
320.06906	2.6
321.07599	3.5
323.05734	2.0
323.09143	6.5
324.06339	1.9
327.08820	1.7
333.11856	3.1
339.08432	3.5
341.10245	1.4
353.10153	4.7
447.20410	5.6
465.21240	30.3
466.21347	2.8
471.12811	2.0
483.12451	3.6
507.22354	47.8
507.35162	3.4
508.22876	5.6
515.15570	1.3
533.13220	9.8
543.31128	1.7
549.20129	2.8
577.14337	1.7
580.24811	2.4
625.26520	1.9
639.17114	34.1
640.17767	5.6
651.17072	39.0
652.17725	8.5
668.38971	1.5
669.18085	74.6
669.41431	29.5
670.18427	14.2
670.41644	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	667.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
57.03319	4.0
58.00465	1.4
59.01250	33.3
59.90120	0.7
60.01596	1.0
61.98699	3.5
71.01253	22.2
71.40231	1.0
72.01575	0.7
72.99168	2.3
73.02811	4.1
74.22785	0.6
76.31543	0.6
78.95780	1.8
83.01262	3.9
83.04865	0.7
85.02820	8.8
87.00734	1.6
88.98666	1.5
89.02319	10.7
91.17857	0.6
95.01263	1.9
96.95881	1.6
99.00758	1.6
101.02316	15.1
107.04887	1.9
109.06471	14.7
111.00768	0.9
111.80798	0.6
113.02339	7.9
119.03374	2.7
119.04892	1.0
121.02853	1.1
122.67875	0.6
128.84996	0.6
129.01855	0.7
131.07024	0.7
146.05013	0.6
149.02298	1.0
151.00275	0.8
152.01007	0.8
159.02919	0.8
160.03987	0.8
161.04478	1.2
163.03960	0.8
169.50655	0.6
171.00511	0.7
179.05455	0.8
183.63095	0.7
191.03375	0.7
195.13872	3.6
205.04884	0.6
237.07654	1.4
241.14401	15.4
242.14703	0.9
265.09158	1.2
265.14301	3.0
313.25430	0.9
385.27121	1.1
399.17157	0.8
443.31522	1.0
452.00171	0.6
461.32602	2.3
606.38171	1.3
607.38971	5.1
623.38019	11.0
624.38495	2.8
625.38641	1.2
667.37006	100.0
668.26227	1.0
668.37433	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	667.3698
Annotation	Cilistol pm
Peak:m/z	Relative Intensity
55.01733	1.3
57.03323	6.0
57.52250	0.8
58.00451	3.0
59.01247	77.6
60.01558	0.9
61.98703	8.1
63.43251	0.7
65.57879	0.7
67.88260	0.8
69.03320	1.4
71.01250	52.1
72.01582	1.4
72.99173	5.6
73.02827	4.3
75.00726	1.5
83.01250	3.8
85.02827	13.8
85.99953	1.0
86.03217	0.8
87.00752	4.9
88.98653	2.3
89.02313	55.0
93.03324	2.9
95.01241	3.4
96.95866	2.5
97.02788	0.9
98.19786	2.0
99.00753	2.3
101.02316	35.2
102.02654	0.8
107.04906	2.3
108.02022	1.8
109.02853	1.5
109.06471	17.4
111.00786	1.4
113.02325	21.8
114.02563	0.9
119.03387	25.1
119.04829	4.4
120.03677	0.8
121.02814	2.9
123.04346	0.9
125.02335	1.3
131.03372	4.1
135.04414	1.0
137.02351	1.2
143.03395	7.6
149.04442	2.7
150.06648	0.9
151.00246	2.0
152.01080	1.2
160.03958	1.7
161.04472	8.5
161.05766	1.6
163.03926	1.5
165.05325	0.8
179.05530	24.2
191.07130	1.1
193.08688	1.2
195.13770	1.8
241.14433	4.3
252.75775	0.9
265.14465	1.3
269.04480	1.9
271.06119	1.2
286.07239	1.0
299.05429	1.1
313.25333	2.5
315.06744	1.2
327.27100	1.3
341.28354	1.6
359.24670	0.9
367.26089	2.3
389.30548	2.5
419.26608	1.9
443.31653	4.0
461.32730	13.5
462.33041	2.0
505.31586	17.4
506.32184	1.2
547.33160	1.2
625.37756	1.2
667.36969	100.0
668.37305	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	667.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30596	0.4
55.01735	1.1
57.03308	1.2
58.00451	1.8
59.01249	41.9
59.84190	0.5
61.26540	0.5
61.98697	1.8
71.01251	24.4
71.04891	1.0
72.99170	1.9
73.02811	1.7
75.00742	0.8
83.01254	1.5
85.02816	6.2
85.97105	0.4
86.03148	0.5
87.00771	0.7
88.98618	0.5
89.02316	20.6
93.03354	0.7
95.01279	2.6
96.95869	0.8
99.00751	0.8
101.02319	15.3
102.02680	0.6
103.03887	0.5
107.04903	0.7
108.02042	1.1
109.06461	0.9
111.00762	1.2
113.02335	9.4
116.92693	0.5
119.03398	7.6
119.04895	4.3
120.99472	0.5
121.02809	0.8
121.12009	0.5
129.01846	0.5
137.02350	1.0
139.00288	0.8
143.03383	0.8
145.02907	0.6
149.02351	0.6
151.00249	1.0
152.01048	1.1
153.01868	0.9
160.03906	0.6
161.04463	0.9
163.03914	2.2
169.04929	0.5
178.32022	0.4
187.02444	0.5
188.46620	0.4
190.02689	0.8
195.13783	0.7
205.05154	1.0
223.06061	0.7
241.14366	1.7
269.04565	0.5
271.05984	0.5
279.77533	0.4
284.03214	0.7
299.05582	0.6
385.27594	1.2
391.15927	0.6
399.32645	0.8
404.28311	0.5
443.31601	6.0
444.31781	0.9
479.12955	2.2
479.22778	3.9
487.30444	1.1
667.36963	100.0
668.37396	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	667.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04841	0.4
55.01757	0.9
57.03311	1.2
58.00456	1.1
59.01249	25.1
60.04854	0.4
65.00182	1.6
67.01751	2.6
68.99686	0.4
69.39173	1.2
69.39594	2.3
71.01250	17.5
72.99170	1.5
73.02814	5.6
83.01267	2.2
85.02824	5.2
87.00765	1.0
89.02314	15.3
93.03335	0.9
95.01250	1.9
96.95792	0.4
97.02833	3.3
98.20538	0.6
99.00760	1.3
99.04392	9.5
101.02318	13.4
108.02045	1.6
109.02846	0.9
111.00755	12.3
113.02318	7.1
119.03386	6.9
119.04885	4.0
121.02866	0.8
129.01836	0.4
132.05710	3.3
135.04350	0.7
137.02357	0.5
143.03401	5.8
145.06474	0.5
148.39302	0.4
150.03142	0.4
152.01019	1.5
154.99715	0.6
161.04462	0.7
163.03896	0.8
165.05464	1.2
169.01332	11.1
178.68416	0.4
179.05580	0.5
187.02393	2.9
190.02678	0.5
194.24725	0.4
199.11191	2.5
201.12871	1.2
217.12263	14.0
218.12575	0.9
269.04489	0.6
299.16425	1.5
301.17896	1.3
315.07300	0.7
317.17499	1.7
361.64777	0.5
379.17609	8.5
380.18051	0.9
473.04883	0.4
479.22839	100.0
480.23154	10.8
505.22937	0.8
542.76294	0.5
552.23572	0.5
590.64221	0.5
667.28497	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	667.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
57.03319	0.8
58.00460	1.3
59.01250	25.9
60.01579	0.5
61.98700	0.7
67.01748	1.0
71.01250	17.7
72.99186	2.9
73.02818	3.0
75.00754	0.8
81.03375	0.4
82.67577	0.4
83.01254	1.7
84.74286	0.4
85.02821	4.8
89.01759	0.6
89.02313	11.5
93.03324	1.0
95.01260	1.4
96.95853	0.6
99.00760	0.7
101.02323	10.6
103.03876	0.7
108.02007	0.7
109.02818	0.5
111.00762	8.8
113.02328	5.8
119.03448	4.3
119.04906	14.6
121.02769	0.6
125.02303	0.5
131.03487	0.4
135.11728	2.7
137.02303	0.7
139.00188	0.4
143.03416	2.7
147.08057	13.6
148.08388	0.8
151.07513	0.7
152.01039	0.7
153.01840	0.4
161.04456	0.8
163.03911	20.3
164.04326	1.0
169.01334	1.3
187.02396	3.1
187.11183	0.4
245.08095	0.5
265.09241	1.5
269.04501	0.5
299.05511	0.4
299.16495	5.3
300.16684	0.5
301.10745	0.5
301.17990	4.3
317.17416	1.7
331.13992	0.5
479.22845	100.0
480.23148	11.1
505.33490	0.5
667.29364	0.8
667.39551	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	667.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.0
57.03316	1.1
58.00451	1.4
59.01249	26.9
59.41773	0.3
61.98698	2.8
65.00180	1.4
67.01768	2.2
69.03352	0.4
71.01252	17.8
72.01596	0.4
72.99178	2.5
73.02819	5.1
74.03137	0.3
75.00752	0.8
83.01242	2.8
85.02819	6.1
87.00745	1.2
89.02313	13.8
93.03324	1.5
95.01261	1.7
96.95927	0.4
97.02822	3.0
98.20532	1.0
99.00739	1.4
99.04395	9.0
101.02318	12.7
103.03876	1.2
108.02043	1.8
109.02828	3.8
111.00758	12.4
113.02331	7.9
115.03885	0.4
119.03403	4.4
119.04884	4.3
120.01134	0.5
121.02851	1.7
123.04397	0.6
125.02331	0.6
129.01834	0.4
131.03419	0.3
132.05698	4.2
134.03604	0.6
135.00829	0.4
135.04434	0.5
137.02330	1.1
143.03394	6.0
145.06485	0.9
147.08080	0.6
149.02345	1.2
150.03099	1.3
151.03812	0.5
152.01054	1.4
153.01837	4.7
161.02415	0.4
161.04427	1.3
163.03954	0.8
164.04649	1.1
165.01888	0.5
165.05453	1.4
169.01328	9.9
170.01721	0.4
177.01753	0.4
177.05394	0.5
179.05594	0.5
179.07068	0.4
181.04842	0.5
187.02368	3.6
190.02589	0.7
191.03433	0.4
193.04956	0.4
195.06549	0.6
199.11183	2.3
201.12799	0.9
205.04964	1.0
217.12276	10.4
218.12576	1.0
221.08240	0.3
223.06099	1.3
229.66063	0.4
241.14223	0.4
255.17693	0.5
265.09409	2.0
267.10776	0.6
268.03696	1.1
269.04422	0.9
283.06143	2.3
289.14682	0.4
299.16550	1.0
301.17630	0.6
315.07205	0.7
317.17566	1.2
339.07193	0.5
356.49252	0.3
367.10339	0.4
379.17554	10.0
380.17911	1.2
401.10718	0.5
419.09631	2.9
429.70529	0.4
470.14230	0.4
471.15036	1.4
479.22824	100.0
480.23154	14.4
505.23410	0.4
667.20386	2.7
667.38330	0.5
668.20386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.5
57.03316	0.7
58.00457	1.1
59.01249	21.8
61.98693	0.7
67.01759	0.9
70.37825	0.2
70.38148	0.6
71.01252	13.1
72.99185	1.1
73.02809	2.0
83.01240	1.3
85.02816	3.4
87.00725	0.5
89.02315	9.5
93.03319	0.4
95.01247	0.6
97.02802	0.5
99.00791	0.5
99.04420	0.3
101.02325	8.1
106.71495	0.2
107.08485	0.2
111.00755	7.9
112.01052	0.3
113.02317	4.5
119.03426	3.2
119.04907	10.5
121.02878	0.4
126.30496	0.2
129.01831	0.2
130.51685	0.2
131.03389	0.3
135.11708	1.8
143.03398	3.3
147.08051	13.5
148.08356	0.8
151.07520	0.8
152.00992	0.2
154.99736	0.5
161.04462	0.3
161.97943	0.2
163.03914	15.6
164.04364	0.8
169.01309	1.1
179.05556	0.4
187.02423	3.0
190.02579	0.3
213.12300	0.2
242.02551	0.2
255.17683	0.4
269.04596	0.5
299.16522	6.6
300.16806	0.6
301.18060	3.8
314.21185	0.2
317.17340	1.1
331.13968	0.3
479.22824	100.0
480.23145	15.2
480.30273	0.5
480.33420	0.3
625.28479	0.3
667.40308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01587	0.8
64.16962	0.8
71.01254	20.4
72.99154	1.4
73.02819	18.5
75.00723	0.9
83.01254	5.3
83.99059	0.7
85.02811	2.8
87.00772	1.2
89.02312	13.2
95.01259	1.3
101.02319	20.2
113.02332	9.8
114.87453	1.0
119.03381	3.9
131.03395	1.8
143.03369	1.9
149.04465	3.4
161.04475	5.9
179.05493	1.6
187.46706	0.8
221.06598	2.6
230.11679	1.1
247.11702	1.3
276.40179	0.9
289.12927	1.4
371.99176	0.9
660.38257	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.5
57.03323	0.6
58.00456	0.9
59.01249	25.9
67.01744	1.0
71.01253	13.7
72.99178	1.6
73.02816	2.4
83.01250	1.0
85.02827	3.6
87.00748	0.4
89.02315	10.7
93.03345	0.4
95.01264	1.3
97.02812	0.4
99.00745	0.4
99.04415	0.5
101.02321	8.3
103.03845	0.3
107.08545	0.6
108.02052	2.0
108.86279	0.3
109.02851	0.7
109.84758	0.3
111.00763	7.9
113.02329	4.7
119.03436	3.9
119.04910	11.1
121.02833	0.7
131.03389	0.3
135.11697	1.9
136.12070	0.3
137.02298	0.4
143.03401	3.3
147.08054	15.8
148.08368	0.4
151.07582	1.4
152.01065	1.8
153.01833	1.1
154.99835	0.7
161.04471	0.8
163.03920	14.6
164.04218	0.4
169.01332	1.0
179.05550	0.4
187.02415	3.1
198.03163	0.3
199.11247	0.3
228.81256	0.4
241.14497	0.8
254.46150	0.3
255.17519	0.6
265.09158	0.3
299.16537	5.6
300.16971	0.4
301.18082	3.0
317.17456	0.7
419.09747	1.6
479.22839	100.0
480.23163	10.7
493.13242	0.3
516.67834	0.3
624.31213	0.8
667.18219	1.7
667.38776	1.4
668.19647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.3
59.01250	19.0
60.75815	0.8
61.98697	6.3
69.03291	1.0
69.70715	3.7
69.71145	2.1
71.01249	12.6
72.99149	2.2
73.02802	3.1
73.05093	0.9
75.00741	1.0
83.01257	1.6
85.02821	14.6
87.00764	2.5
89.02318	7.8
93.03329	4.9
95.01221	1.7
96.95836	0.9
97.02770	1.2
99.00703	0.9
99.04395	1.0
101.02302	8.1
101.05939	0.8
103.03883	26.4
108.02050	4.5
109.02816	3.9
111.00732	2.1
113.02336	5.2
117.03294	1.1
119.03358	3.2
119.04948	4.5
121.02865	4.3
122.03625	10.0
123.04381	2.1
133.02751	1.2
134.03598	2.2
135.04350	3.1
136.01482	1.3
137.02292	3.0
145.02826	1.2
145.04956	0.9
147.04327	1.1
149.02338	26.9
149.05951	1.7
150.03127	71.2
151.03929	5.4
152.01050	7.9
153.01645	3.4
153.05435	1.4
160.03902	1.7
161.04468	1.3
161.37946	0.8
162.03130	1.0
163.03900	7.0
164.04697	16.6
165.01775	1.7
165.05475	69.7
166.02553	2.0
166.05783	2.6
169.05006	1.0
175.00221	3.2
176.00984	2.7
177.01833	2.0
177.05461	2.1
178.06142	1.1
179.07051	11.7
180.04193	5.7
181.04968	7.2
184.07617	2.1
190.01254	0.9
190.02647	12.0
191.03412	10.1
193.01254	3.1
195.06543	20.5
203.07008	1.1
205.05005	14.1
206.05742	8.9
207.02834	3.8
207.06171	1.1
208.03708	7.8
217.04860	0.9
221.08127	9.5
222.05220	2.9
223.06053	24.8
224.06383	1.4
227.12827	1.5
235.02361	0.9
237.07594	1.9
241.04869	1.0
241.14458	1.8
247.08138	1.6
250.04715	1.8
265.06964	13.2
265.09213	33.4
266.09622	2.3
267.06561	1.1
271.09421	0.9
295.08173	2.1
297.11215	2.1
315.07199	2.2
325.09128	3.1
333.08267	1.5
384.94928	0.9
419.13168	2.2
456.12567	1.4
461.13849	1.3
470.14160	8.6
471.14978	28.1
472.15152	2.7
485.16309	3.1
525.15759	1.2
667.22211	100.0
668.22430	17.6
675.31927	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	8.6
58.00462	1.6
59.00963	1.3
59.01247	22.1
61.98690	2.7
69.03306	1.4
69.41795	9.0
69.42220	1.6
71.01253	13.5
73.02800	2.6
75.00737	1.6
83.01227	2.1
85.02815	18.8
87.00748	1.9
89.02337	5.5
89.02772	1.0
93.03327	5.6
95.01247	2.1
96.95866	2.9
101.02324	8.3
103.03888	34.5
107.04877	2.8
108.02052	6.4
109.02818	3.8
111.00780	1.9
113.02318	5.0
119.03359	3.0
119.04887	3.4
121.02802	7.1
122.03632	8.9
123.04370	3.7
124.01573	1.2
125.02338	1.5
128.07059	2.9
133.02803	1.8
134.03609	2.6
135.04367	3.3
136.01575	2.1
137.02333	2.9
139.00230	1.3
140.59752	1.1
143.03291	1.3
144.10629	1.1
145.05017	1.7
147.00644	1.3
147.04442	1.4
149.01245	1.8
149.02351	27.7
150.03123	71.0
151.00235	1.3
151.03891	8.8
152.01050	5.6
153.01741	3.7
163.03922	8.0
164.04692	17.7
165.01839	2.7
165.05475	59.6
166.02600	1.2
166.05821	2.9
167.03329	2.8
175.00249	4.2
176.01022	5.0
177.01805	2.1
177.05452	3.1
179.05624	2.0
179.07036	11.2
180.04187	6.3
181.04979	10.4
189.05458	1.7
190.02631	11.2
191.01854	1.6
191.03407	8.4
193.01297	3.3
195.05043	1.6
195.06558	15.7
195.13780	5.0
197.04445	2.7
205.05000	13.9
206.05748	8.4
207.02911	2.8
208.03702	10.2
209.04420	1.5
221.08122	8.6
222.05252	2.1
223.06068	27.2
224.06419	1.1
239.12856	10.7
245.08009	1.3
247.08118	1.3
250.04774	5.2
265.07040	15.2
265.09268	20.6
271.19250	1.2
277.07050	1.2
305.41815	1.2
315.07202	3.3
325.09369	2.6
333.18912	1.3
371.10883	1.6
383.06107	2.2
413.11984	1.4
419.13434	6.1
461.14673	2.1
461.23462	1.7
470.14047	4.3
471.15021	24.0
471.74457	1.2
472.15225	1.6
485.16586	4.2
525.16858	1.6
563.27094	2.3
619.20215	2.2
623.28949	4.9
649.20776	1.9
667.22308	100.0
668.22565	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	667.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43032	0.6
54.49224	0.6
56.66793	0.7
57.03323	1.7
58.00457	1.3
58.19936	0.7
59.01252	13.3
61.98700	1.3
67.64536	0.7
69.03332	1.3
69.39902	5.7
71.01250	9.3
71.64002	0.7
72.99187	1.1
73.02819	2.4
74.75899	0.7
75.00739	1.6
81.03337	1.6
83.01239	1.5
85.02811	10.0
86.44987	0.7
87.61092	0.8
88.96812	0.7
89.02308	5.3
93.03326	3.3
95.01249	2.1
96.95881	1.2
97.02827	1.9
98.20637	0.9
99.00750	1.2
101.02304	5.4
103.03876	7.6
107.01286	1.4
108.02045	100.0
109.02859	24.7
111.00736	1.8
112.03433	0.7
113.02310	3.6
119.03359	2.5
119.04893	2.5
121.02831	15.1
123.00780	1.5
123.04404	3.2
125.02331	1.6
129.01837	1.6
133.02881	1.1
135.00781	3.5
135.04405	1.6
137.02373	3.7
147.08066	1.5
149.02342	4.3
150.03113	4.0
151.00293	1.5
151.03932	4.1
152.01050	75.7
153.01834	48.1
154.02182	2.0
161.04442	1.4
163.03915	5.1
165.01822	2.1
165.05502	5.1
167.03409	5.9
179.03329	0.7
187.11127	0.8
191.03386	2.6
195.02966	3.3
195.06531	2.9
195.13800	1.3
206.01900	0.8
241.14366	4.8
247.08069	0.9
251.05347	0.9
253.36841	0.7
265.09247	6.7
268.10242	0.7
269.04358	1.2
284.03479	0.7
285.04187	0.7
289.14456	0.9
297.06097	3.4
315.07269	3.3
345.79199	0.7
397.07794	0.9
401.10794	5.1
419.09802	56.8
420.10175	4.5
461.10782	2.8
479.22897	9.4
480.23596	0.8
505.33994	1.3
515.23199	0.9
521.13049	0.9
545.15009	1.8
567.25708	0.9
607.23956	2.3
624.31317	2.2
667.18689	85.7
667.36670	7.8
668.18787	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	666.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44431	0.1
53.50982	0.1
59.01251	2.1
61.98700	100.0
63.46366	0.1
66.60184	0.1
70.09569	0.7
71.01264	0.3
85.07336	0.2
98.20454	0.2
101.02369	0.2
108.09250	0.1
132.77121	0.1
156.45688	0.2
198.09172	0.2
199.09544	0.2
223.13443	0.3
225.11139	0.2
269.54056	0.2
280.18597	0.2
666.37939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.4
60.36951	0.3
61.98700	100.0
67.21319	0.2
69.37235	1.4
71.01267	0.5
88.98653	0.5
98.20615	0.5
101.02338	0.4
112.57642	0.2
129.84473	0.2
143.70416	0.2
251.13737	0.2
272.48401	0.2
648.71405	0.3
665.38409	0.7
666.38416	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81940	1.3
58.00447	1.7
59.01245	18.5
61.98686	7.9
65.02267	1.1
67.01759	1.3
68.48452	1.1
71.01244	5.3
71.10357	3.8
73.02817	10.1
83.04894	48.8
85.02805	6.2
87.04384	17.5
97.06448	3.5
101.05958	28.3
112.53460	1.2
276.22366	1.6
281.59079	1.5
308.51352	1.2
373.27258	3.0
387.28897	3.0
399.28952	2.8
411.28934	3.2
417.29987	5.0
429.29984	2.7
433.09109	1.6
457.33148	7.6
458.33655	2.4
471.34558	3.5
483.34943	8.4
484.35144	2.1
501.35831	40.9
502.36014	6.7
521.34937	1.3
531.36890	100.0
532.37170	16.4
539.37604	2.6
557.38361	17.0
605.40601	56.3
606.40912	11.0
627.20721	3.7
629.21106	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	665.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.5
57.03303	0.9
59.01248	5.7
61.98706	2.2
66.82910	0.4
67.01801	0.3
71.01250	8.2
71.07974	0.8
72.64644	0.3
72.99165	0.6
73.02821	2.7
75.00745	1.2
83.01257	0.9
85.02815	4.2
85.06464	1.8
85.99956	2.1
87.00742	1.1
87.04370	0.7
89.02322	1.0
95.01265	1.0
96.03877	0.3
96.95894	0.8
97.02846	0.5
99.00745	0.9
101.02323	4.0
101.05944	0.7
113.02348	3.0
116.92727	0.4
126.09211	0.3
137.09631	0.4
161.04416	0.5
191.21428	0.3
192.91373	0.3
225.87755	0.4
299.20239	0.4
343.22906	0.5
359.25806	0.7
359.29849	0.5
361.24097	0.4
369.27917	0.6
371.25812	0.5
373.31131	2.6
387.29050	4.4
399.28839	0.9
403.32141	6.4
404.32596	0.7
415.32376	1.2
429.30017	1.7
431.27948	1.1
447.31036	8.1
448.31378	1.0
459.31061	2.0
591.35114	1.6
609.36395	15.7
610.37122	2.0
621.36249	4.1
622.36584	0.6
665.39032	100.0
666.39398	14.6
666.50635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94413	1.9
55.01749	3.1
57.03318	7.7
58.00483	3.2
59.01245	100.0
61.98700	6.7
69.03313	3.4
69.50938	16.3
71.01251	84.2
72.01587	2.1
72.99188	6.3
73.02819	16.0
75.00742	2.8
77.27412	2.4
83.01250	11.3
85.02821	34.3
87.00757	8.7
89.02309	32.2
93.03347	5.1
95.01261	10.6
96.95892	6.7
97.02824	2.8
97.06414	2.4
99.00747	5.8
99.04346	2.0
101.02316	38.7
103.03885	9.2
106.06569	2.4
107.04879	3.0
108.02056	12.5
109.02824	7.7
111.00786	6.3
113.02334	40.1
114.02702	2.0
119.03387	13.5
119.04869	10.1
121.02857	3.1
125.02322	9.6
125.12991	2.0
127.00244	3.4
129.01776	2.9
133.02808	2.2
134.03587	4.4
137.02330	5.5
139.00288	3.7
143.03395	6.2
149.02322	3.6
149.53297	1.9
151.00276	3.7
151.03932	3.2
152.01015	8.5
153.01794	4.0
153.09117	2.1
160.01608	5.7
161.04428	12.0
163.03889	6.8
165.05493	5.1
175.00247	2.3
175.03947	5.8
176.04747	4.1
179.05637	3.4
180.47852	1.9
181.04958	3.8
182.40649	2.0
190.02585	3.7
191.06978	4.7
191.57825	2.2
193.04944	4.6
205.04962	6.0
223.05988	2.2
235.06146	2.6
265.09332	10.0
267.11493	4.7
269.04526	4.4
321.07614	4.4
325.09094	5.1
399.23932	5.7
417.24771	5.7
517.17578	2.7
527.25098	3.1
557.25708	3.7
561.29150	82.7
562.29163	11.7
575.17914	4.9
579.30194	58.1
580.30554	7.9
621.18512	2.3
621.31219	11.5
622.19080	3.1
622.31396	2.8
665.16980	6.5
665.27716	12.7
665.36774	2.7
666.25793	4.9
666.40497	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	665.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.5
57.03316	3.1
58.00468	1.3
59.01248	53.3
61.98699	10.4
69.03318	1.0
69.57948	5.4
69.69324	0.8
71.01250	28.3
72.26115	0.7
72.99169	3.1
73.02809	4.5
75.00739	1.1
82.64423	0.6
83.01241	2.9
85.02815	9.8
87.00735	2.6
89.02311	16.5
89.93807	0.6
93.03336	2.4
95.01259	3.4
96.95882	2.8
98.95399	0.6
99.00764	1.9
99.04396	0.7
99.70980	0.7
101.02321	17.2
101.05937	1.2
103.03886	1.4
107.01221	1.2
107.04891	4.1
108.02044	1.9
109.02840	1.1
109.06477	12.6
111.00757	1.9
113.02324	9.2
116.92725	3.2
118.97993	0.9
119.03382	6.4
119.04867	4.3
120.01131	2.1
121.02837	3.0
123.04443	0.7
125.02357	1.2
131.03433	0.8
136.01569	0.8
137.02316	1.3
143.03435	0.7
149.02327	1.7
151.00249	1.9
151.03922	2.0
152.01074	1.2
153.01802	1.1
161.02290	0.9
161.04436	2.0
163.03925	2.1
164.04758	0.8
165.05386	1.1
181.04968	0.9
187.41185	0.8
188.07124	1.2
188.17514	0.7
190.02650	1.4
193.04961	1.8
193.08713	0.9
195.13786	3.4
205.04974	3.1
223.06021	1.6
239.12799	1.5
241.14433	12.6
265.09219	1.9
265.14444	1.2
269.04590	2.7
271.06036	2.4
311.23758	4.2
312.24197	0.8
339.27054	2.2
383.25888	7.1
394.19226	1.0
441.30252	1.2
482.19553	3.7
503.17386	1.6
503.25580	0.7
503.33344	0.8
540.89252	0.8
561.13873	0.8
577.32996	3.6
578.24158	1.3
578.33081	0.8
587.29840	1.4
621.36334	5.2
622.36157	1.3
649.43890	0.8
665.35492	100.0
666.25311	1.0
666.35791	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.0
57.03302	1.9
59.00961	1.3
59.01249	21.6
61.98705	4.2
67.01746	0.8
69.03312	0.8
71.01257	8.3
71.52431	0.9
71.52789	0.9
72.99184	0.8
73.02801	3.5
75.00748	0.7
77.45512	0.7
81.03326	1.1
83.01232	1.7
85.02818	8.6
87.00740	1.6
89.02302	5.0
91.96426	0.8
93.03328	2.8
95.01237	3.1
97.02825	0.9
99.00790	1.0
101.02316	6.1
103.03886	7.3
107.04951	0.9
108.02048	58.4
109.02843	35.0
110.03150	0.9
111.00760	1.4
113.02334	4.7
119.03384	2.0
119.04890	2.5
121.02814	2.1
123.00751	1.7
124.04726	0.7
133.06473	1.0
135.00766	0.8
135.04401	1.9
137.02321	1.6
137.33844	0.7
139.00238	0.8
139.07617	0.7
147.04370	1.3
149.02362	1.1
150.03012	0.7
151.03932	1.0
152.01054	59.3
152.07079	0.9
153.01845	18.2
159.02922	0.8
160.03947	1.1
161.04413	1.0
163.03879	2.7
163.07602	5.1
165.01813	1.0
165.05376	1.2
166.69162	0.7
173.04439	1.5
175.03911	0.8
175.07503	1.0
179.03389	0.8
184.07596	35.4
185.07910	2.4
187.07603	1.0
189.05432	1.8
190.02579	1.5
193.05013	1.0
195.06593	0.7
205.05017	1.3
205.08621	1.4
207.06522	6.9
228.39488	0.8
247.09647	2.3
265.09000	21.7
266.09320	1.0
267.11417	1.2
269.04602	1.4
315.06891	1.1
316.07932	1.6
333.08105	2.8
362.54233	0.7
501.27249	1.1
517.70172	0.8
519.27631	1.4
560.81042	0.8
561.29382	2.8
579.29602	1.5
621.20825	2.9
622.21582	1.0
665.24481	100.0
666.24835	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.5
57.03321	5.2
58.00450	0.6
59.01247	44.8
61.98689	1.7
63.02256	0.5
65.00169	0.9
69.03303	1.5
69.61722	2.2
69.62133	1.0
71.01250	23.5
71.04908	0.6
72.99169	1.1
73.02398	0.6
73.02811	9.4
75.00737	0.6
77.21582	0.5
81.03290	0.6
82.23425	0.6
83.01259	3.3
85.02820	17.8
87.00739	2.2
87.04388	0.6
89.02306	6.6
93.03309	1.0
95.01227	1.4
97.02804	1.5
99.00753	1.3
99.04372	1.1
101.02317	13.3
103.03887	31.4
104.04218	0.9
107.01247	1.3
107.04896	0.5
108.01960	0.5
111.00711	0.7
113.02320	8.0
116.92714	1.0
118.85787	0.5
119.03370	3.2
119.04869	1.6
121.02885	0.7
123.04411	0.6
124.01488	0.6
125.02303	1.8
131.03435	0.7
137.02351	0.6
139.44395	0.5
143.03369	1.4
145.04988	0.5
149.02313	1.5
149.05963	0.7
151.00293	3.4
152.00925	0.5
157.04965	0.9
161.02400	0.6
161.04466	1.6
163.03909	0.9
164.04666	0.7
195.13837	7.1
205.05032	1.0
209.15385	0.8
213.14928	3.0
240.19359	0.5
247.08209	1.8
253.23859	0.4
257.92227	0.5
265.09354	3.9
266.09543	0.6
268.03671	1.2
269.04520	14.4
270.04688	2.3
271.05731	0.9
286.07227	0.7
287.69858	0.6
301.19788	0.6
357.19095	5.7
375.20233	9.3
376.20667	0.9
399.20007	2.3
417.21231	8.0
418.21844	0.8
461.43503	0.6
481.19022	6.4
481.68954	2.3
482.19293	0.9
517.30096	0.9
531.28564	0.8
535.31543	1.5
577.16260	1.0
577.32184	4.5
578.16681	0.6
579.16986	0.6
621.35217	0.7
665.30157	100.0
666.30609	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	665.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24921	1.3
57.03308	2.0
58.56123	1.1
59.01245	13.1
68.99672	1.5
69.03295	1.4
71.01257	13.6
73.02810	2.9
81.03338	2.0
83.01231	2.9
85.02814	9.9
87.00737	2.3
89.02296	5.2
93.03320	8.0
95.01265	3.2
96.99175	1.1
97.02766	1.6
98.19670	2.1
101.02344	7.9
103.03883	3.9
106.04099	4.7
107.01274	2.5
108.02052	81.5
109.02848	40.4
111.00745	1.6
113.02309	8.3
115.00241	1.7
117.03316	1.2
119.03379	1.7
119.04894	7.7
119.13644	1.2
121.02807	5.3
123.00751	1.4
123.04456	1.5
127.59329	1.3
131.30367	1.2
132.02014	5.0
133.02785	2.4
133.15950	1.1
134.03639	8.2
135.04385	2.7
137.02338	2.2
145.06439	3.0
149.02296	2.5
149.06013	1.7
151.00237	3.2
151.03905	2.2
152.01056	100.0
153.01836	26.3
160.01564	19.8
161.02391	9.1
161.04469	1.4
161.09627	18.3
163.03897	4.3
163.07410	1.6
166.02495	1.3
167.03322	1.2
175.03931	21.8
177.01799	1.1
179.03310	2.6
190.02609	1.5
193.04965	7.0
195.02850	1.6
205.04930	3.4
205.08652	25.7
206.05307	2.0
206.08838	2.3
211.07529	5.0
223.07747	1.6
237.09081	5.4
239.10724	5.9
259.09732	1.2
265.06961	1.3
265.09299	14.0
271.06009	6.1
295.66418	1.3
313.83347	1.2
315.07205	18.2
316.07684	1.8
323.07611	1.7
333.08151	2.0
337.09244	6.6
349.12918	12.4
459.16333	3.2
503.15558	76.6
504.15814	10.3
535.15778	2.4
545.16772	4.7
621.19684	1.2
652.53455	1.3
665.20313	97.4
666.20691	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	665.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.0
59.01251	35.0
61.98695	3.4
63.02273	2.5
65.00190	14.3
66.72424	2.2
71.01253	24.4
71.52326	2.3
71.52751	2.6
72.99192	3.1
73.02813	6.5
83.01237	10.9
85.02829	14.4
87.00768	5.4
89.02291	11.4
93.03330	12.7
95.01296	3.0
96.95909	4.7
101.02296	12.9
102.98444	3.1
103.03891	6.1
107.01265	21.0
108.02076	4.4
109.02842	4.6
111.00755	9.8
113.02322	9.6
117.03228	2.5
119.03500	3.4
119.04916	72.6
120.05244	6.0
121.02862	4.7
125.02324	10.4
134.03688	3.0
134.17545	2.0
137.02328	5.1
144.33820	1.9
145.02812	6.7
148.37033	2.1
149.02354	4.2
150.05518	2.5
151.00272	100.0
152.00708	4.6
153.01860	3.0
154.29237	2.1
161.04507	3.7
163.03902	16.4
164.04543	3.2
165.01820	4.5
173.00822	5.6
175.03932	3.3
177.01837	10.3
179.05458	2.9
191.05554	3.0
201.59959	2.6
205.05028	4.8
223.06079	4.4
225.13730	2.5
227.06995	3.4
244.77388	2.3
265.09229	9.1
269.04590	3.4
271.06097	47.5
272.06403	4.5
310.94162	2.3
459.11847	2.4
475.12720	2.7
477.12555	3.1
501.12650	21.2
502.12582	3.3
527.25482	3.2
561.28986	4.4
579.16559	3.3
579.30023	4.0
621.18103	83.3
621.28180	4.3
622.18683	10.6
665.25995	7.1
665.37769	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	663.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47754	1.0
58.00445	1.0
59.01252	94.3
61.98698	6.1
70.04317	1.8
70.04663	4.5
71.00893	1.8
71.01256	19.0
72.99191	1.0
73.02818	4.2
78.95786	2.8
82.95924	1.0
83.04897	6.1
85.02816	3.2
87.00750	1.2
89.02310	9.3
97.02834	1.8
99.00750	1.2
99.50282	1.2
101.02316	9.5
101.05962	16.4
110.98385	1.3
113.02305	4.1
119.03390	3.9
125.02340	4.0
129.01871	1.3
147.08179	0.9
161.04413	3.0
163.00241	1.7
175.03961	1.2
179.05516	1.6
179.93065	1.1
216.00569	3.2
235.08150	4.5
245.50264	1.0
265.21729	32.0
266.22104	3.3
283.57843	1.2
287.07684	1.6
343.22858	1.4
361.16632	1.5
383.26175	1.4
385.23465	1.6
397.13474	26.2
398.13803	2.1
401.27054	3.7
403.24734	2.8
407.25690	1.1
413.26871	3.5
415.14545	10.6
425.27011	3.0
431.27954	2.2
443.28192	7.6
461.29102	29.1
462.29172	4.8
471.31119	3.1
485.32788	1.8
497.32712	1.4
545.34814	100.0
546.35150	15.3
603.39008	52.6
604.39551	6.9
663.24329	2.4
663.41010	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	663.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29203	1.1
59.01247	93.6
60.15863	1.1
61.98686	1.9
71.01237	1.9
71.07716	2.9
73.02818	3.1
78.32746	1.1
78.95787	1.5
97.06464	33.6
98.06785	1.9
108.02858	1.2
115.07511	18.5
115.08241	2.0
229.43819	1.3
387.28943	2.9
399.28906	3.1
400.29266	1.5
411.28885	2.7
417.30099	2.9
429.30133	1.9
471.34860	3.9
485.36441	2.0
497.36234	5.2
515.37274	2.1
545.38464	100.0
546.38763	16.3
603.42682	49.5
604.42828	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	664.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92361	1.9
59.01244	22.2
61.98692	5.5
69.41198	5.1
69.41614	14.1
71.01255	15.5
73.02806	3.5
75.00731	3.9
82.56564	2.1
83.01244	5.3
85.02806	5.8
89.02313	6.0
93.03294	2.6
95.01292	2.3
97.02823	2.3
98.20654	2.0
99.00712	2.2
101.02322	9.1
109.02837	3.0
111.00774	3.0
113.02304	7.9
114.37079	2.2
118.74048	2.1
119.03331	3.5
121.02842	3.4
123.00724	3.1
123.04391	3.6
125.02314	4.2
134.02348	2.5
135.04407	3.0
136.40575	2.3
137.02336	4.8
150.03117	3.1
151.03955	4.1
160.03929	4.2
161.92664	2.2
163.03911	6.1
165.01820	3.4
167.03380	4.1
175.03865	3.8
176.03404	3.4
177.01729	5.1
177.04192	5.4
179.03386	5.1
190.04901	3.2
191.03360	4.8
195.02975	4.6
200.03319	3.0
203.03409	3.5
205.01556	2.8
205.03696	9.3
206.04361	3.4
207.03043	4.0
207.04875	2.4
209.04318	3.2
219.02708	4.1
235.02339	3.5
265.09204	2.2
295.06039	6.2
296.06772	17.4
297.04041	5.0
297.07208	2.7
311.05502	3.1
312.06180	2.6
323.05353	4.2
336.23929	2.2
341.06488	4.1
351.08450	2.7
353.06528	2.6
364.08197	2.9
367.08133	18.5
368.09769	49.2
369.09921	4.1
396.10916	5.2
397.09290	13.1
406.09290	3.9
409.09137	3.3
424.10278	10.6
426.11792	3.3
454.11093	3.6
457.20807	3.3
475.21375	10.9
487.12332	9.9
488.13785	12.3
503.12027	6.1
517.13538	3.2
526.13519	5.4
544.14655	42.8
545.14990	4.0
556.14392	2.7
574.15552	6.2
607.16791	37.9
608.16980	6.6
616.16339	3.4
623.16254	8.0
632.15704	5.0
646.17462	7.2
664.18774	100.0
665.18903	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	665.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.0
59.01251	35.0
61.98695	3.4
63.02273	2.5
65.00190	14.3
66.72424	2.2
71.01253	24.4
71.52326	2.3
71.52751	2.6
72.99192	3.1
73.02813	6.5
83.01237	10.9
85.02829	14.4
87.00768	5.4
89.02291	11.4
93.03330	12.7
95.01296	3.0
96.95909	4.7
101.02296	12.9
102.98444	3.1
103.03891	6.1
107.01265	21.0
108.02076	4.4
109.02842	4.6
111.00755	9.8
113.02322	9.6
117.03228	2.5
119.03500	3.4
119.04916	72.6
120.05244	6.0
121.02862	4.7
125.02324	10.4
134.03688	3.0
134.17545	2.0
137.02328	5.1
144.33820	1.9
145.02812	6.7
148.37033	2.1
149.02354	4.2
150.05518	2.5
151.00272	100.0
152.00708	4.6
153.01860	3.0
154.29237	2.1
161.04507	3.7
163.03902	16.4
164.04543	3.2
165.01820	4.5
173.00822	5.6
175.03932	3.3
177.01837	10.3
179.05458	2.9
191.05554	3.0
201.59959	2.6
205.05028	4.8
223.06079	4.4
225.13730	2.5
227.06995	3.4
244.77388	2.3
265.09229	9.1
269.04590	3.4
271.06097	47.5
272.06403	4.5
310.94162	2.3
459.11847	2.4
475.12720	2.7
477.12555	3.1
501.12650	21.2
502.12582	3.3
527.25482	3.2
561.28986	4.4
579.16559	3.3
579.30023	4.0
621.18103	83.3
621.28180	4.3
622.18683	10.6
665.25995	7.1
665.37769	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	663.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01587	0.8
60.82750	0.4
61.98699	8.6
70.73324	1.4
71.01247	4.7
73.02818	1.7
78.95817	0.8
83.01268	1.2
84.86011	0.5
85.02837	1.6
87.00756	1.2
88.98688	1.3
89.02285	1.2
93.03329	0.8
95.01273	0.8
96.95881	0.9
101.02332	2.5
101.05959	3.2
103.98929	0.5
113.02335	1.1
115.31002	0.6
116.24879	0.5
119.04937	1.0
121.02842	0.9
145.95052	0.5
163.03952	0.8
164.22334	0.5
171.10207	0.7
271.06247	1.1
329.14871	0.6
397.31265	1.4
424.29437	0.5
441.30188	1.1
443.20804	1.1
459.30951	21.4
460.31299	3.2
473.33087	1.5
501.32367	5.4
502.32825	0.7
515.26196	0.8
527.26782	1.6
543.25989	0.9
571.25494	4.9
603.38953	2.2
619.26648	0.8
621.40051	2.4
663.38123	12.7
664.37579	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	663.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16266	1.9
51.49223	1.9
52.34468	2.1
52.92181	2.0
54.98568	2.0
59.01252	100.0
61.98428	2.9
61.98703	37.5
69.03317	2.4
71.01247	11.8
72.43623	2.0
73.02821	7.6
83.04905	7.9
84.46722	2.5
85.02788	2.5
87.04398	2.4
91.56612	2.2
100.94201	2.1
101.02333	3.3
101.05961	46.3
113.02332	2.8
121.02810	2.2
134.02333	3.9
201.05481	2.4
211.13351	3.5
230.08629	2.3
293.06189	2.4
369.24194	5.2
383.26044	3.3
387.25314	7.2
397.12817	2.2
401.27182	5.4
413.27173	3.8
425.26773	2.8
429.26605	2.4
431.28040	2.8
433.29309	4.5
443.27936	9.0
461.23083	2.5
461.29120	37.1
462.29495	4.3
524.92236	2.6
545.34845	82.6
546.35016	15.1
555.36420	2.8
603.29065	2.6
603.38928	49.0
604.39215	9.2
621.40277	2.9
627.27997	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	663.3746
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
55.01739	1.2
57.03316	1.4
58.00465	0.5
59.01247	11.9
59.13396	0.3
61.98711	1.6
69.27805	2.6
71.01250	13.0
72.99197	0.6
73.02820	5.0
75.00745	0.4
83.01240	1.9
84.02035	0.3
85.02821	7.7
85.06455	11.4
85.99969	1.9
86.06779	0.4
87.00748	2.3
87.04359	0.3
89.02305	0.9
95.01254	1.1
95.04872	0.3
97.02821	0.4
97.06470	1.7
99.00735	2.0
101.02319	9.2
101.05967	1.6
111.00752	0.5
113.02328	6.1
129.01816	0.4
137.09583	0.3
159.02873	0.6
161.04460	1.9
164.07999	0.3
175.40945	0.3
197.65372	0.3
257.97333	0.3
313.21573	0.4
327.19699	0.6
327.23224	0.4
329.25061	0.4
341.24814	0.3
343.22726	2.4
355.22690	2.8
356.23068	0.3
359.25900	2.6
361.23865	0.9
371.25842	3.2
372.26306	0.4
385.31189	0.7
397.23462	0.3
399.28925	2.7
400.29349	0.6
415.32181	4.5
416.32382	0.6
423.28748	0.5
439.31915	0.4
441.29962	2.7
442.30762	0.3
443.27478	0.3
457.33160	3.4
458.33475	0.6
461.28830	0.9
483.31033	0.6
485.28839	0.9
501.32251	0.9
545.34839	3.5
603.38672	2.0
604.39459	0.4
663.37457	100.0
664.37805	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	663.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75898	0.3
59.01247	100.0
60.01582	1.1
60.87444	0.3
61.98700	2.4
65.35314	0.2
69.31108	0.3
70.08273	1.2
71.01250	3.1
72.99185	0.3
73.02825	0.7
85.02835	1.1
89.02314	1.7
94.16618	0.2
95.01295	0.3
99.40086	0.3
101.02298	1.8
101.05949	2.1
113.02334	1.1
119.03381	0.6
122.11105	0.3
128.41608	0.3
131.44627	0.3
139.07478	0.3
143.03453	0.4
161.04503	0.5
201.11174	0.3
415.37900	0.3
439.32187	2.6
440.32495	0.3
443.20346	0.7
459.35300	0.4
515.26752	0.4
527.26648	0.9
543.25830	0.6
571.25482	3.1
572.26129	0.6
603.28857	0.3
603.38995	1.0
621.39996	2.3
622.40900	0.4
663.38312	2.4
664.40070	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08748	0.3
57.03330	0.4
59.01250	100.0
60.01601	0.6
61.98705	3.6
71.01257	2.6
71.04883	0.4
72.99178	1.6
73.02827	1.2
76.52632	0.4
77.32589	0.3
78.95770	1.2
80.96429	0.5
81.61721	0.3
83.01240	0.4
85.02833	1.2
87.00732	0.4
87.04359	0.5
89.02290	0.6
89.55669	0.3
96.95934	0.4
97.02821	0.5
98.19839	0.8
99.00751	0.6
101.02345	1.7
101.05964	1.5
109.06490	0.4
113.02286	0.9
116.92776	0.7
119.04885	0.5
123.04396	0.6
125.06009	0.7
134.03639	0.4
145.12219	0.4
171.10277	0.4
175.00177	0.4
221.55725	0.3
245.08142	0.7
345.43872	0.4
394.12473	0.5
559.32703	5.3
560.33386	1.0
571.25970	0.9
577.34375	0.9
603.28265	0.6
619.34729	1.6
621.39679	0.6
663.41882	10.5
664.41516	1.0
684.06146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.4
59.01247	100.0
61.98703	11.8
64.02010	1.1
71.01251	11.1
71.52666	1.9
72.01598	1.1
72.99177	4.4
73.02806	5.9
74.13709	1.0
74.98988	1.2
83.01254	4.2
83.04893	2.9
85.02823	8.2
87.00750	2.0
88.06856	1.0
89.02332	5.7
93.03333	1.6
95.04938	1.3
96.95872	2.2
97.02850	1.1
101.02306	9.3
108.02045	1.3
109.02850	1.4
111.00780	1.9
113.02320	6.3
116.92738	3.6
119.04887	2.6
120.01129	1.7
121.02852	2.2
121.52054	1.1
123.08028	1.2
125.02296	2.1
137.02312	2.0
143.07014	1.1
145.02788	1.1
149.02336	1.8
151.00320	2.4
155.77234	1.3
161.04448	2.6
163.03934	1.6
164.04559	1.7
175.00255	3.1
179.05435	1.1
190.02600	6.4
191.03152	1.3
197.09689	1.9
205.05009	7.2
213.12794	1.2
221.21494	1.3
221.34482	1.1
223.06044	2.8
265.09433	1.9
269.04584	3.4
271.05994	1.0
283.47269	1.0
403.27042	1.3
429.29910	3.1
448.29837	1.3
449.27621	2.4
457.25974	1.5
459.30981	4.5
475.27325	2.7
513.34399	1.5
531.35272	3.0
559.28888	15.4
560.29211	3.1
573.36188	4.4
577.30029	7.5
599.91083	1.2
604.37170	11.1
619.31616	6.3
620.31256	1.8
622.38806	1.3
663.33691	11.0
664.32843	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	663.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.3
60.92753	0.2
61.98699	1.1
71.01254	0.3
71.52615	0.3
72.99189	0.3
75.00730	2.6
75.71892	0.2
87.72683	0.2
91.05401	0.6
101.47047	0.3
106.04134	0.3
117.03408	0.3
119.07051	0.4
121.02853	1.2
123.04448	0.3
131.04919	0.7
132.02049	0.8
133.02844	11.6
134.03629	11.8
135.04475	1.4
137.06027	0.5
146.85379	0.2
147.04387	3.4
149.02318	3.4
158.68887	0.3
161.02341	20.9
161.05956	0.5
162.02652	0.7
162.06764	0.6
174.03105	0.5
175.03912	67.1
176.04291	3.3
178.02615	2.2
187.03915	1.7
187.07535	0.7
203.03436	0.4
206.02043	0.3
227.07098	3.7
228.07642	0.3
245.08151	14.2
246.08516	1.5
261.07703	1.0
263.09213	100.0
264.09555	7.3
271.16995	3.1
297.14984	1.1
315.15994	9.3
316.16238	0.8
337.03918	0.3
417.22632	0.3
561.24890	8.2
562.25214	1.8
619.32227	0.3
663.31659	14.8
664.32043	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	663.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06505	0.7
50.69389	0.7
57.03318	1.2
57.65414	0.7
58.20917	0.6
59.01249	100.0
60.01583	1.1
61.98706	10.4
64.17642	0.7
67.91573	0.7
68.99688	1.7
69.03331	2.2
69.51391	0.6
71.01252	7.0
71.04903	0.8
71.52546	0.8
71.52941	0.6
72.99172	5.9
73.02829	2.2
80.96445	0.8
83.01260	1.0
83.04916	1.8
85.02822	3.3
87.00768	0.7
89.02325	1.9
91.05415	1.8
93.03342	0.8
95.01241	3.6
95.04940	1.0
96.95904	1.2
97.02845	2.2
99.00763	1.5
101.02325	3.3
101.05959	16.7
107.00508	0.6
107.04958	1.6
108.02114	0.7
109.02865	1.5
109.06469	6.0
111.04497	0.9
113.02334	2.2
113.05973	0.8
116.92775	1.8
119.03378	1.0
119.04888	1.2
119.83733	0.6
121.02853	1.1
121.06449	0.8
123.04417	2.2
123.08070	0.7
125.05983	1.9
127.00232	1.0
134.03627	0.7
135.04445	1.6
137.02322	0.7
139.07599	1.0
147.06648	0.7
147.07993	0.6
149.02361	0.7
153.05562	1.1
160.03999	2.0
162.03244	0.8
163.03990	2.2
164.04674	0.8
175.11317	0.7
187.91573	0.6
191.03471	0.7
201.09216	0.6
203.10753	0.9
209.11763	1.1
211.09726	1.9
215.60970	0.6
231.10300	1.0
245.08156	1.2
247.09682	0.8
288.59668	0.8
340.92853	0.7
345.17032	0.7
389.19913	1.6
397.20425	0.8
415.21475	1.2
425.19696	1.7
431.20795	1.0
443.20703	5.6
463.97171	0.9
473.25430	0.8
481.25919	0.8
483.27734	1.2
487.20639	1.7
501.32343	1.2
515.26483	11.4
516.26648	1.4
527.26563	10.8
528.26825	1.3
543.26105	4.1
544.26715	1.1
571.25494	21.5
572.25488	3.4
603.27991	10.1
603.38043	1.4
604.28876	1.7
618.91394	0.7
621.40363	2.3
663.41522	18.5
664.41864	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	661.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01580	0.9
61.98705	1.1
64.94625	0.4
71.01258	1.0
71.52582	0.7
73.02815	1.0
76.12675	0.4
78.95776	3.9
84.31398	0.5
87.04401	1.6
95.04918	1.1
97.06454	2.3
115.07540	1.1
142.88089	0.5
145.02855	1.3
147.04466	0.7
152.99530	1.8
171.00581	1.3
173.02402	0.9
174.03172	1.7
175.03946	4.8
187.04012	0.7
199.07671	0.5
205.05032	1.7
206.02223	1.8
227.07112	2.2
245.08165	16.7
246.08484	1.2
263.09302	1.9
271.98624	0.5
276.10159	1.4
373.27435	0.4
471.34686	3.1
481.26141	0.5
483.35187	0.8
527.37738	0.6
543.37085	1.5
553.38837	5.1
554.39343	0.8
571.40491	1.5
592.23492	0.9
601.41260	8.0
602.41284	1.4
661.29620	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31114	1.3
57.03308	2.2
59.01251	16.0
61.98705	2.1
71.01249	14.6
71.21143	3.2
72.54990	1.4
72.98151	1.6
72.99181	4.1
73.02814	3.3
75.00744	1.5
85.02811	5.1
87.00752	2.3
89.02306	5.2
93.03326	3.2
96.53937	1.2
96.95886	4.3
99.00731	1.3
101.02321	3.7
103.03922	2.1
108.02033	1.5
109.02829	1.6
111.00723	2.3
113.02348	3.5
115.00227	7.0
119.03438	1.7
119.04935	3.3
119.08574	1.6
123.04417	1.6
133.01344	2.7
135.04425	8.7
137.02370	1.7
139.04018	1.3
149.06087	2.4
150.06789	1.8
151.03882	1.6
151.07544	42.5
151.08748	2.1
152.01088	2.4
152.07925	1.9
155.03416	1.5
161.04507	1.5
163.03975	2.9
163.07567	25.6
167.03418	1.7
177.05466	15.2
177.09143	1.3
193.04932	1.7
195.06552	2.3
205.04948	4.7
207.06592	5.1
223.06123	2.2
223.09688	2.5
230.25935	1.7
239.12857	5.6
247.09668	2.0
265.10953	13.8
269.04532	1.4
283.11884	8.3
297.13406	5.3
367.17465	4.3
385.18665	100.0
386.19046	11.1
400.57248	1.5
483.18854	3.0
501.19748	5.5
547.23926	26.2
548.24249	3.6
663.25195	17.2
664.25024	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	661.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61427	0.3
59.01249	100.0
60.01607	0.5
61.98709	0.9
70.81720	0.5
70.82052	0.6
71.01259	0.5
73.02845	0.8
78.95770	4.1
80.80062	0.3
97.06445	1.7
107.50764	0.3
108.60619	0.4
113.23965	0.3
115.07543	1.0
152.99492	2.4
171.00600	1.3
176.27754	0.4
227.03288	0.4
245.08180	0.4
254.43071	0.4
373.27686	0.5
471.34967	1.6
481.26575	0.4
553.38910	3.9
554.39850	0.4
571.40375	1.1
601.41022	7.0
602.41675	1.3
661.27905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01576	0.6
61.01556	0.2
61.98701	1.8
64.06783	0.2
71.01225	0.2
73.78123	0.2
92.04933	1.4
96.48346	0.2
115.11031	0.2
120.04485	0.4
133.02913	0.3
135.04413	0.2
146.02417	0.6
148.03943	2.1
155.63899	0.3
161.02338	5.5
162.02704	0.3
174.03288	0.2
175.03957	0.8
194.80235	0.2
196.65753	0.2
198.09189	0.6
201.05505	1.1
201.11203	0.3
209.11909	0.3
227.07169	0.3
245.08076	1.4
313.14719	0.4
353.31433	0.3
570.40668	0.3
661.29614	1.6
680.46387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17130	0.4
55.01749	0.8
57.03098	0.4
57.03318	5.3
58.00466	1.0
59.01248	20.9
60.01595	0.5
61.98701	6.5
67.01754	0.5
69.03333	0.9
71.01250	20.6
71.04880	1.2
71.52790	0.5
72.99157	1.6
73.02815	5.0
75.00719	1.1
78.95771	0.7
79.95621	0.5
83.01241	3.3
83.04886	0.5
85.02820	22.6
86.03129	0.8
87.00724	2.1
87.04367	0.6
89.02321	5.9
93.03311	1.2
95.01266	2.7
96.95895	4.3
97.02827	1.2
99.00750	2.0
99.04382	1.0
101.02316	10.8
103.03886	28.9
104.04181	0.6
107.04946	0.9
108.02004	0.5
111.00777	0.9
113.02322	8.6
117.03297	0.8
117.91506	0.4
119.03358	1.5
119.04913	2.4
121.02830	1.1
123.04361	0.9
123.67719	0.5
124.01515	0.6
125.02316	1.5
127.03844	0.8
129.01787	1.3
133.02802	0.6
133.06390	0.6
137.02322	1.1
140.01137	0.5
143.03377	1.0
145.02827	0.8
147.04471	0.5
149.02347	0.8
150.03075	0.7
151.00276	1.2
157.05019	0.6
159.02890	0.8
159.04297	0.6
161.04448	2.0
163.03897	1.2
164.03445	1.2
165.01784	0.6
165.05409	0.7
176.08151	0.5
190.02638	1.0
195.06522	0.7
197.11789	0.6
201.11105	0.4
205.05017	1.1
209.11774	1.1
227.03403	1.0
229.09702	0.6
235.16959	7.0
236.17259	0.5
239.12724	0.5
241.14543	0.7
245.04320	0.5
247.08078	0.7
247.17056	0.5
249.18559	1.5
251.16508	2.5
255.02933	3.4
256.03146	0.5
265.09137	3.8
265.17987	1.0
269.04443	2.0
270.04376	0.5
271.02432	0.7
273.15182	0.5
275.16568	0.8
277.18085	3.3
278.18390	0.6
283.02365	3.6
284.03214	2.8
285.04028	12.9
286.04330	1.2
311.05646	0.5
327.05078	0.8
335.12585	0.7
338.10040	0.5
395.20728	7.3
396.21310	1.0
413.21765	9.4
414.21909	0.9
427.23212	0.9
444.76437	0.5
447.09210	4.6
448.09543	1.0
455.22751	2.1
456.22604	0.6
483.26016	3.8
484.26007	0.6
601.32422	0.5
661.30707	100.0
662.31122	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	659.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.6
61.98695	2.9
62.49908	0.6
64.81538	0.6
71.04875	3.8
71.30080	0.7
71.52545	0.9
78.95777	2.2
83.04903	7.1
85.06484	1.2
87.04386	78.7
88.04715	1.8
97.06429	0.7
101.05949	1.9
119.07008	0.7
127.88171	0.7
128.80318	0.6
145.02850	2.7
147.04381	1.9
152.99478	1.4
157.06467	2.6
161.02344	1.1
170.07132	0.6
173.02277	1.8
173.05991	1.4
174.03123	9.3
175.03874	3.3
178.02647	1.0
181.06528	1.4
183.04428	1.4
183.08080	7.5
184.05144	1.4
185.05966	1.0
186.06697	1.3
187.03923	4.6
199.07574	8.1
200.04736	6.8
201.01848	1.9
201.05453	3.5
201.09155	4.2
202.06219	0.9
206.02107	6.0
209.11775	1.2
212.04672	1.5
227.07076	100.0
228.07445	6.7
241.08609	3.3
244.07420	0.8
245.08142	49.2
246.08481	3.0
253.08774	1.3
271.09732	59.2
272.10040	3.6
303.15997	1.1
329.13879	9.1
330.14099	1.1
347.14908	12.6
348.15085	1.1
414.70273	0.8
431.20834	1.1
498.83105	0.8
601.24530	2.9
657.68915	0.7
659.28790	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	659.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	7.5
61.48289	0.4
66.14540	0.3
69.03307	0.7
69.55810	0.4
70.39228	0.8
71.01246	0.5
80.51380	0.4
81.22818	0.4
83.04909	0.6
85.02854	0.4
93.03305	0.5
95.04906	2.4
97.02834	2.3
101.02325	3.0
107.04893	0.5
109.06467	5.0
111.04408	0.9
113.05971	0.4
123.08057	0.9
126.06752	0.5
135.08052	6.2
136.05228	0.5
137.05980	0.7
137.09593	3.4
138.06755	26.0
139.07329	0.8
149.09628	0.4
151.07509	0.7
152.08284	0.8
153.09113	67.0
154.09445	2.9
163.11226	0.5
165.12720	0.6
175.11176	1.5
177.09187	1.0
183.13844	2.6
193.12271	9.2
211.13326	24.1
212.13647	1.3
212.98958	0.5
255.12352	100.0
256.12729	6.7
273.14886	0.6
313.11569	0.5
374.93454	0.5
599.51898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19343	0.1
51.11129	0.1
58.17247	0.1
59.01241	0.6
61.98702	1.6
71.52789	0.2
76.60513	0.1
78.95764	0.3
82.71844	0.1
86.79787	0.1
87.04327	0.2
103.40681	0.1
108.02062	0.2
119.07047	0.2
123.07874	0.1
130.04141	0.4
131.04881	0.1
134.07076	0.1
145.02856	2.5
146.03586	0.5
147.04413	0.4
161.02304	0.2
173.02350	1.6
174.03131	12.5
175.03902	5.2
175.07507	0.3
176.04347	0.3
178.02635	0.6
183.08051	0.4
186.06764	0.2
199.07591	1.5
201.09142	1.7
206.02133	8.3
207.02365	0.3
212.04771	0.4
217.08632	0.2
219.67653	0.1
227.07083	7.1
228.07420	0.5
245.08145	100.0
246.08496	6.9
327.29385	0.1
329.13852	0.2
454.60062	0.1
575.22858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00840	0.8
57.03306	3.1
58.00456	1.1
59.01249	28.3
61.98711	0.8
71.01250	17.8
72.99171	2.0
73.02817	2.0
74.98949	0.7
83.01237	1.2
84.77557	0.9
85.02351	1.4
85.02825	17.2
87.00748	2.4
89.02317	15.0
93.03352	1.2
95.01272	1.7
96.95891	1.1
98.19797	2.2
99.00781	1.4
101.02330	10.1
103.03884	27.1
106.04110	2.4
108.02032	0.9
113.02322	8.2
119.03386	6.5
119.04809	1.1
125.02320	1.1
133.02876	0.7
137.02304	1.4
138.03021	0.7
145.04988	1.2
161.04404	1.2
175.11168	2.2
176.06967	0.8
179.05447	1.0
187.11307	3.6
205.12320	6.7
231.10242	2.4
233.11853	0.9
249.11266	2.5
255.46550	0.7
265.09274	41.3
266.09659	1.9
268.00940	0.7
286.30948	0.8
291.12622	1.1
305.30072	0.9
342.67355	0.9
367.17810	4.7
393.15619	8.0
411.16586	16.2
412.16904	1.6
453.17624	19.9
454.17783	2.3
513.20026	1.5
653.48865	1.0
659.25513	100.0
660.26001	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83145	1.0
57.03309	5.6
59.00956	1.4
59.01246	23.8
61.98705	2.3
68.82764	1.1
69.31197	11.1
71.01251	21.2
73.02817	1.8
73.66293	1.3
78.95755	1.5
83.37572	1.1
85.02818	21.2
87.00760	2.4
89.02306	11.9
96.95904	1.7
97.02817	1.6
97.60030	1.2
99.00745	1.4
101.02310	10.9
103.03886	42.6
106.04121	17.2
107.04924	1.5
111.00739	2.6
113.02308	7.8
119.03386	7.4
119.04880	1.9
137.02345	1.3
138.03159	1.8
143.03465	1.5
149.02367	1.8
150.03087	2.8
153.09218	1.2
163.03943	1.6
164.34770	1.2
169.01273	1.5
173.04504	2.1
175.11189	16.2
177.05409	1.5
178.99811	1.3
179.05542	1.6
182.02135	1.1
187.11209	8.4
191.05537	1.6
205.12263	13.6
217.49875	1.2
247.08295	1.5
249.11281	70.2
250.11658	3.3
263.12927	1.8
265.09268	100.0
266.09616	5.2
291.12350	38.9
291.15604	2.1
292.12738	3.5
321.13373	3.7
323.11481	1.6
351.14465	22.3
370.20334	1.2
387.51239	1.5
393.15561	2.9
479.19308	12.4
480.19693	1.6
497.20279	90.7
498.20728	12.3
659.25537	67.3
660.25745	14.3
669.20703	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	12.5
61.98698	7.3
71.01254	4.4
71.52988	1.0
72.99161	0.7
73.02834	1.0
80.96391	1.0
83.01283	1.3
83.04884	0.6
85.02837	2.2
88.31873	0.6
89.02325	1.7
93.03331	5.0
95.01254	0.5
95.04938	0.5
96.95908	1.9
97.02823	0.7
101.02317	3.1
107.04938	0.8
108.02081	0.9
111.00813	0.6
113.02367	2.0
114.05504	0.9
114.93372	0.5
117.03365	0.7
119.03394	0.8
119.04909	0.7
121.02866	1.2
123.04452	0.6
125.02349	0.6
129.06960	0.7
132.02113	2.5
133.02864	0.7
136.07544	0.6
139.03906	1.7
145.02875	1.0
149.02367	1.0
149.06026	1.3
151.00270	0.7
155.05072	0.7
157.06532	2.5
159.04492	1.0
161.02261	0.6
169.12198	1.0
171.10156	1.3
173.05965	4.4
175.03911	0.9
176.00980	0.6
179.05576	0.6
185.06027	3.8
185.11745	1.0
187.03920	1.3
188.04706	0.8
189.05577	1.0
191.07135	0.6
195.04489	0.8
196.05258	0.7
199.03902	1.5
201.05501	3.5
205.05034	0.6
209.09842	1.0
209.11725	6.3
210.12099	2.3
211.03957	1.9
211.13441	3.1
212.13683	2.2
213.11250	0.8
214.02710	0.5
215.03427	1.6
215.11885	1.2
215.63379	0.7
217.05008	3.8
219.08150	2.2
223.04073	0.6
224.04713	2.2
226.02731	0.6
227.03459	0.8
227.12903	1.3
229.05069	3.5
233.09691	0.7
235.07564	1.6
235.11171	1.1
237.09160	1.6
239.03436	2.4
249.05585	1.1
249.09171	0.8
251.03438	1.2
253.08951	0.9
258.20212	0.6
262.06302	0.8
263.07108	8.3
264.07843	2.4
267.02972	6.3
268.03452	1.4
272.05722	1.3
277.05554	0.8
277.08621	4.4
278.09247	0.6
279.03134	2.7
279.06998	1.2
279.10190	6.1
280.03806	0.9
291.06638	3.7
293.05093	0.5
293.08200	2.1
295.02441	1.8
295.09790	1.4
304.07336	0.9
305.08231	1.6
307.06131	2.3
307.09662	1.2
321.07599	2.3
322.08435	0.7
323.09244	7.4
335.05597	0.9
338.44342	0.6
350.07907	53.6
351.08673	80.2
352.09073	8.3
438.91653	0.6
461.66797	0.8
527.32074	1.2
547.25195	1.7
555.36426	0.6
569.33289	1.5
659.19702	100.0
659.32410	3.2
660.20160	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.4
57.03307	1.1
59.01247	7.9
60.41647	0.3
61.98706	2.7
65.00179	0.5
69.95280	0.3
71.01253	3.7
72.99183	0.4
81.03316	0.4
83.01253	1.3
83.04881	0.5
85.02824	1.5
87.00748	0.7
89.02303	1.3
93.03316	0.6
93.83324	0.3
95.01254	0.4
97.02813	0.6
98.20557	0.9
99.04406	0.7
101.02338	2.0
102.81699	0.3
103.03876	0.3
107.01247	1.0
107.04856	0.4
108.02059	0.9
109.02851	0.6
111.00743	0.4
111.04368	0.4
113.02303	1.5
119.04904	1.2
121.02831	0.9
121.06494	1.0
122.03656	0.8
122.05994	0.3
123.04375	0.5
123.93176	0.3
125.02319	1.6
127.11147	0.4
135.04401	3.3
136.05191	32.7
137.02316	0.6
137.05864	1.3
137.09598	0.4
139.03889	0.7
147.08054	1.0
147.14264	0.3
148.05167	0.7
149.02338	0.7
149.05977	7.1
150.05614	0.4
150.06757	6.7
151.00264	2.1
151.07437	0.5
152.01021	1.0
152.07161	0.3
155.10548	0.5
159.04514	0.3
160.03937	0.5
161.02316	0.6
161.06035	0.4
162.06750	2.4
163.07574	1.9
164.04774	0.4
164.08316	4.7
165.05444	0.5
165.09108	15.7
166.09442	0.7
167.03358	0.6
171.10150	0.5
177.01837	0.4
179.07056	0.4
179.10715	1.3
190.02640	0.7
190.05096	0.5
193.04886	0.5
206.27219	0.3
209.11777	1.8
211.13330	2.3
214.12378	0.5
233.08020	0.3
241.14398	0.6
242.10573	1.0
245.04527	7.2
245.07056	0.4
246.05025	0.3
249.20593	0.3
257.12909	4.1
258.13226	0.5
265.21716	0.9
271.06113	0.9
273.14951	0.5
283.22614	0.5
285.04184	0.3
299.10489	0.5
300.10242	0.4
301.11908	4.9
313.07233	2.9
313.29660	0.3
315.15948	1.3
315.21762	1.3
327.25415	0.4
329.23331	5.4
330.23535	0.8
343.08124	1.7
349.12982	0.4
373.09280	0.5
375.18079	1.0
416.29178	0.4
431.31485	1.6
432.32388	0.4
433.33295	0.4
434.30325	4.2
435.30905	0.5
448.31714	1.0
449.32660	16.7
450.33075	2.1
462.08481	0.3
476.31433	1.3
477.32086	3.9
478.32541	0.7
494.32458	4.0
495.33243	31.8
496.33630	5.2
507.29678	0.6
525.30792	0.9
549.30591	1.2
559.18469	0.7
563.22882	0.5
567.31952	1.7
581.23474	0.6
657.38531	100.0
658.38873	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	657.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	21.6
59.90075	1.1
61.98711	1.7
69.51646	3.1
69.52073	3.8
71.01257	12.2
72.99197	1.8
79.16705	0.9
81.03342	1.4
83.01280	1.9
85.02829	4.1
87.00779	1.1
89.02322	8.9
93.03337	2.0
95.01256	1.2
97.02843	1.1
99.00770	1.2
101.02313	8.3
105.03345	1.2
108.02068	2.8
109.02859	2.5
111.00778	1.3
113.02348	3.7
119.03388	1.7
119.04973	1.4
119.40429	0.9
121.02834	7.4
122.03617	6.0
123.04462	1.9
125.02378	3.2
133.02853	1.3
135.04425	1.6
137.02321	2.0
139.00285	1.0
149.02336	16.2
150.03140	6.9
151.03908	1.5
153.01825	2.3
161.02350	8.6
163.03912	2.0
164.54922	1.0
165.01936	1.7
167.03458	2.5
175.03951	1.5
177.01852	1.9
179.03467	2.9
182.02203	1.4
189.05536	1.5
190.06293	1.8
191.03403	2.3
193.01346	1.1
195.02937	1.1
205.01385	1.3
207.02991	2.1
209.04494	5.6
219.02997	2.4
223.02463	1.3
235.02431	2.2
239.05519	1.8
241.05106	1.1
243.13875	4.4
245.15564	1.7
255.98450	1.0
261.14951	4.5
265.03458	1.7
271.13345	6.3
273.14938	27.5
274.15424	1.8
284.03381	3.5
285.03928	8.2
286.04431	6.2
289.14417	4.6
296.06836	1.9
303.07394	1.7
311.05557	1.2
353.06882	1.8
367.08414	2.6
371.07800	1.1
383.07864	1.3
387.06635	1.1
399.07370	2.6
401.08832	1.0
403.21521	1.0
417.08411	1.1
423.20200	15.4
424.20972	1.9
429.08078	1.4
447.08997	1.7
449.13177	1.8
451.19751	100.0
452.20096	13.0
473.11182	1.1
477.17572	4.9
478.17599	2.2
487.11746	1.1
495.18768	20.0
496.18555	5.7
507.11600	1.8
519.11536	1.4
520.12158	1.2
535.10840	1.0
537.12585	1.7
593.15161	2.7
594.15375	15.8
595.16010	1.8
607.16846	2.8
608.17255	1.3
639.16083	1.3
640.17780	1.3
657.24384	36.8
658.24921	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	656.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72695	0.2
56.83166	0.1
57.03327	0.2
59.01249	1.6
61.98700	100.0
62.04285	0.1
62.19888	0.1
62.98386	0.3
71.01252	0.9
73.02808	0.4
78.95797	0.2
83.01270	0.2
85.02841	0.5
87.04450	0.1
88.98700	0.2
89.02337	0.6
93.03328	0.3
96.95914	0.2
100.83277	0.2
101.02351	0.5
103.03902	0.4
109.02881	0.2
113.02328	0.4
119.03387	0.3
119.04916	0.2
121.02859	0.3
130.81697	0.1
137.02313	0.3
151.00290	0.2
152.01070	0.2
152.99548	0.2
153.01770	0.2
161.04457	0.2
163.03918	0.3
171.34848	0.1
175.00380	0.2
184.07652	0.2
195.13892	0.3
205.05034	0.3
223.06111	0.2
230.43445	0.2
241.14438	0.6
261.21442	0.1
265.09232	0.9
269.04489	0.1
285.04092	0.2
333.08389	0.2
350.62781	0.1
657.29456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20333	1.3
57.03314	2.2
59.01250	23.0
61.98692	2.7
67.01756	2.4
68.99696	2.5
69.03315	2.6
71.01249	19.8
72.99157	2.7
73.02010	1.6
73.02444	1.5
73.02854	3.8
75.00753	1.6
78.24338	1.0
81.03326	3.6
83.01252	7.5
85.02806	8.0
87.00779	2.3
89.02302	7.3
93.03339	4.4
95.01247	5.1
95.04921	2.2
97.02802	8.0
98.19843	3.0
99.00751	2.1
101.02316	9.3
102.93060	1.1
105.20428	1.5
107.01225	3.3
107.04901	2.4
108.02024	10.4
109.02902	11.4
110.03186	1.4
111.00747	4.9
111.04363	1.4
111.37274	1.2
113.02331	7.4
119.03365	1.9
119.04935	2.6
121.02857	12.7
122.03596	5.0
123.00755	3.7
123.04415	11.7
125.02345	14.7
129.01834	1.6
131.03380	1.5
133.02800	4.7
134.03615	1.6
135.04390	4.3
136.01607	1.4
137.01453	1.5
137.02333	10.8
137.06007	1.5
139.03929	6.3
145.02785	1.6
147.04385	3.5
149.02362	22.8
149.06039	2.5
150.03117	8.8
151.00232	2.0
151.03889	10.6
152.01070	8.3
153.01842	9.2
161.02315	11.6
163.00294	3.0
163.03885	5.6
163.16171	1.5
165.01799	7.6
165.05437	2.2
166.02542	3.0
167.03419	13.6
174.03206	1.8
175.03876	3.9
176.01057	2.1
177.01845	8.2
179.03462	9.7
182.02074	2.8
183.02925	3.2
189.01845	2.4
189.05490	2.3
190.02614	1.9
191.03406	9.8
193.01373	5.7
193.04918	2.4
195.02907	7.9
199.97813	1.3
201.02007	1.5
203.03358	3.3
205.01328	6.7
205.04967	1.6
206.02037	1.7
207.02983	8.7
209.04482	30.1
218.01978	2.2
219.02882	11.5
221.00806	4.6
221.04417	2.8
223.02400	7.4
224.03033	1.4
225.03972	2.6
233.04463	4.0
235.02403	10.2
237.03894	2.8
238.06168	1.6
239.05487	7.1
241.04919	2.3
243.06482	1.7
243.13831	4.3
245.15306	2.0
247.02458	2.3
249.03915	4.8
251.01863	3.8
251.05591	1.6
253.03333	2.1
255.06767	2.1
261.04065	2.6
261.14890	4.9
265.03381	6.7
271.06100	3.2
271.13470	6.0
273.14935	29.0
274.15274	1.7
279.05121	1.5
282.05231	3.0
282.59378	1.6
283.06165	2.6
285.04001	2.4
285.07593	1.7
289.14459	4.2
295.06003	2.1
296.06946	9.1
297.04169	1.6
297.07492	4.8
299.05524	1.4
303.07242	3.6
311.05554	3.8
313.07254	1.9
315.08087	2.2
323.05713	1.2
325.06790	2.0
327.04996	2.6
329.09332	8.2
339.04657	1.8
341.06427	2.4
343.07385	3.9
353.06656	5.7
355.07297	1.8
357.06348	2.7
359.07568	1.9
367.08331	11.3
369.06143	6.5
371.07474	5.2
373.09372	1.9
381.05978	2.2
383.07767	6.3
385.05475	2.2
387.07108	4.5
397.09058	4.9
399.07092	9.6
400.07602	2.5
401.08676	3.5
413.08618	3.2
415.06567	2.1
417.08221	5.0
423.20309	16.3
429.08206	5.4
447.09311	5.0
449.13052	11.1
451.19794	100.0
452.20007	9.5
463.11966	1.6
473.10989	3.0
475.11343	1.5
477.10648	3.7
477.17755	4.1
478.17386	2.1
487.11270	11.4
488.11533	1.4
489.10287	2.7
495.18924	20.2
496.18610	3.9
501.10715	1.9
505.10422	6.6
507.11270	11.7
508.11850	1.6
519.11426	18.9
520.12006	8.4
531.11444	2.4
535.10956	3.7
537.12518	11.8
538.12775	2.5
549.12347	3.1
567.13336	6.9
583.16675	3.7
593.14954	10.9
594.15106	2.8
595.16547	1.5
607.16608	17.1
608.16821	3.4
609.14661	4.4
611.15521	1.6
623.16016	3.2
625.14093	7.9
639.15466	8.7
640.15881	6.2
656.19067	1.9
657.16187	22.3
657.24036	25.8
658.15991	2.2
658.25128	2.9
665.35461	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	656.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67862	0.9
56.77354	0.7
57.03317	0.9
58.00451	1.0
59.01250	8.6
61.64544	0.7
61.98699	20.5
69.17532	4.3
69.17958	4.7
71.01257	6.9
73.02824	2.3
75.00754	1.0
78.58228	0.8
83.01250	1.2
85.02839	4.4
87.04389	0.9
89.02311	2.4
93.03335	2.5
97.06481	2.8
98.20602	2.0
99.00793	1.1
101.02333	4.5
103.03866	4.2
104.04200	0.8
107.01251	2.2
109.02863	1.8
111.00755	1.1
113.02328	1.4
119.03423	1.2
119.04868	1.3
121.02883	0.9
123.00780	2.7
125.02335	1.6
129.23769	0.9
135.00774	1.2
139.00307	0.8
143.04851	1.1
146.73882	0.8
149.02345	1.7
149.99500	0.8
151.00291	3.4
152.01035	1.2
154.99725	1.0
159.06577	4.0
160.06990	1.1
161.02289	1.1
163.00255	1.6
165.01799	1.4
167.03401	2.1
168.00473	1.6
171.04352	1.3
183.06516	0.9
185.05997	1.3
187.03864	2.4
189.05336	1.4
199.97807	1.9
201.05431	1.2
211.03932	1.6
213.05476	1.3
223.06058	1.3
227.03442	20.5
228.03835	1.9
229.04991	8.6
239.03508	1.3
243.03000	1.0
255.02956	34.8
256.03378	5.0
257.04434	4.7
265.09235	2.8
271.02521	1.1
271.13184	1.4
273.14902	3.5
283.02359	1.5
284.03256	51.0
285.04013	68.2
286.04379	5.5
370.68506	1.0
407.15509	1.4
417.16467	1.2
423.20425	1.5
434.19250	0.9
451.19666	8.5
493.20605	4.0
494.21149	9.3
495.19025	2.9
537.12463	1.3
593.15063	100.0
594.15442	13.9
612.25836	1.4
655.24652	1.4
656.24689	8.4
657.11517	2.7
657.24646	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	656.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51593	0.1
54.26772	0.1
55.29360	0.1
59.01239	1.0
61.98699	100.0
62.98421	0.1
68.05879	0.1
71.01263	0.4
73.02796	0.1
80.97630	0.1
81.10091	0.1
83.01283	0.1
85.02847	0.2
89.02306	0.2
93.03328	0.2
96.95897	0.1
101.02341	0.3
106.22846	0.1
113.02309	0.1
119.03456	0.1
121.02843	0.1
125.02219	0.1
127.45673	0.1
136.07581	0.1
137.02409	0.2
151.00275	0.3
152.99516	0.2
161.04454	0.1
171.01294	0.1
205.04910	0.2
209.11722	0.1
241.14502	0.1
265.09244	0.1
273.34674	0.1
285.03061	0.1
285.07718	0.4
286.08109	0.3
287.08395	0.2
419.78619	0.1
490.60754	0.1
494.20245	0.2
595.18982	0.1
596.19391	0.6
657.28851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.2
57.89843	0.1
58.00450	0.4
59.01246	2.7
61.98707	0.4
62.49822	0.1
67.01744	0.3
69.03335	0.3
69.81612	0.6
69.95947	0.1
71.01247	0.8
71.04872	0.1
72.99191	0.5
73.02795	0.9
78.95776	1.2
79.05404	0.4
80.02543	1.8
84.02037	0.2
85.02818	0.3
85.06425	0.2
87.04400	0.2
93.03308	0.2
95.04890	0.2
97.06448	1.3
99.04375	0.2
99.08018	0.2
101.05968	0.4
104.26958	0.1
106.04118	3.1
107.08498	0.2
119.08557	0.4
120.05725	0.3
121.10111	17.0
122.10420	0.8
147.08028	0.7
148.01767	0.1
148.08409	0.4
149.09612	100.0
150.09952	4.1
150.11137	0.2
151.11214	0.2
164.23312	0.1
167.10681	2.0
181.12070	0.2
351.21420	0.1
373.27359	1.5
387.29184	1.1
388.29312	0.2
399.29031	1.4
400.29254	0.2
411.29092	0.4
417.30334	0.4
447.31027	2.1
448.31357	0.2
523.37885	2.0
524.38000	0.4
535.37683	0.9
537.39441	1.2
538.39789	0.2
549.39569	1.2
550.40485	0.2
561.39380	1.0
565.38977	0.3
567.40552	0.8
568.40210	0.2
579.40417	1.5
580.40662	0.2
595.39709	0.4
596.39954	0.2
597.41541	88.5
598.41858	16.2
619.43353	0.7
637.44543	0.5
655.30951	0.6
655.45709	7.4
656.46130	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.2
58.00461	0.5
58.08554	0.1
58.41347	0.1
59.01248	2.9
67.01763	0.1
69.03303	0.2
70.83960	0.3
70.84288	0.3
71.01252	0.8
72.99167	0.4
73.02819	1.2
74.49959	0.2
78.39599	0.2
78.95770	1.6
79.05396	0.4
80.02543	1.7
80.96206	0.2
81.03335	0.2
83.04866	0.2
84.02088	0.2
85.02804	0.3
85.06464	0.2
87.04379	0.3
95.04922	0.2
97.06471	0.9
99.04382	0.2
99.08015	0.3
101.05947	0.5
106.04114	3.0
113.03835	0.2
119.08524	0.2
121.10113	16.3
122.10450	0.6
149.09615	100.0
150.09956	4.9
167.10687	2.2
169.66037	0.2
241.09682	0.2
242.18477	0.2
373.27475	1.2
381.27948	0.2
387.28995	1.0
397.27072	0.2
399.29004	1.4
400.29330	0.2
411.28976	0.4
417.29938	0.4
447.31088	2.0
448.31567	0.2
523.37921	2.0
524.38422	0.3
535.37799	0.6
537.39453	1.0
538.38782	0.2
549.39600	1.3
561.39307	0.7
562.40265	0.2
565.38129	0.2
567.40509	0.8
579.40405	1.2
580.41150	0.2
597.41559	78.8
598.41876	16.2
607.44391	0.2
619.43469	0.7
637.44440	0.3
655.30927	0.7
655.45703	6.7
656.46069	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3697
Annotation	Russelioside A
Peak:m/z	Relative Intensity
57.03310	1.6
59.01247	8.7
61.98698	5.3
71.01249	3.4
72.99158	0.6
73.02811	1.6
81.03338	0.5
83.01256	0.7
83.04868	0.6
85.02798	2.2
87.00767	0.8
89.02305	1.4
93.03332	0.5
96.95857	0.6
97.02871	0.4
99.04397	0.9
101.02311	1.7
103.03864	0.5
107.04900	0.5
108.02051	0.5
109.02875	0.4
111.04409	0.8
111.08067	0.5
113.02309	1.5
113.05968	0.4
119.04928	0.8
121.02849	0.9
121.06459	1.3
122.03613	1.1
123.04389	0.7
125.06052	0.4
135.04402	2.8
136.05193	39.4
137.05580	0.9
147.08023	0.8
148.05142	0.6
149.05980	8.2
149.09474	0.4
150.06764	5.5
151.00317	0.8
151.07515	0.5
152.01044	0.6
153.09132	0.9
157.08585	1.0
162.06750	2.7
163.03896	0.6
163.07487	2.5
164.04688	0.7
164.08324	5.5
165.09114	19.6
166.09451	0.9
171.10098	0.7
179.06975	1.0
179.10707	0.7
195.13731	0.7
205.05011	0.5
207.10194	0.7
209.11736	1.9
211.13315	0.9
225.11238	0.5
227.12904	0.5
229.31259	0.5
241.14340	1.1
263.20074	0.7
269.04599	0.8
271.04437	0.5
273.14828	0.6
281.21268	1.2
313.20410	0.7
327.21759	5.9
328.22177	0.6
401.22983	0.7
407.22226	0.4
414.27942	0.6
429.30377	2.0
432.28870	3.8
433.29303	0.9
446.30231	0.9
447.31100	16.4
448.31439	2.5
474.29507	1.0
475.30505	3.7
492.30969	3.0
493.31631	31.4
494.32050	3.7
535.32819	0.5
567.31976	0.5
637.32245	1.3
655.36951	100.0
656.37262	17.4
664.86371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	1.4
57.03315	5.2
57.86900	0.8
59.01249	41.0
61.98702	6.2
65.46141	0.9
69.03318	3.5
71.01250	21.3
71.52277	1.4
72.99194	2.5
73.02811	5.1
80.02551	2.3
81.03334	2.7
82.02857	1.8
83.01252	4.5
83.04892	5.7
84.04443	0.9
85.02824	9.1
86.23531	0.9
87.00746	5.0
89.02313	11.9
90.00520	0.8
91.05394	1.0
93.03356	1.6
94.02850	1.4
95.01249	2.0
95.04916	4.5
96.04435	8.3
97.02835	7.9
97.06476	2.3
99.00760	2.3
99.08028	1.1
101.02301	14.6
101.05956	3.8
106.04204	1.1
107.04915	1.5
109.02853	1.2
109.06470	24.9
110.02366	1.4
110.03622	1.8
111.00752	1.4
113.02316	7.8
119.03390	3.1
119.04903	2.7
121.02847	2.1
121.06442	2.2
121.70028	0.8
123.04380	1.5
123.08073	1.6
125.02361	2.3
125.09600	4.0
127.03864	1.0
135.08058	2.5
136.05226	2.0
136.07622	1.4
137.09621	1.5
142.02708	1.4
143.03452	1.5
145.04947	3.3
149.09654	3.0
151.00311	1.3
151.07533	3.4
161.04460	4.3
161.09663	3.0
163.07523	1.2
163.11182	15.2
164.07112	2.1
165.12718	2.5
171.10165	19.3
177.12743	1.1
179.05479	4.3
179.10660	1.3
181.12288	4.4
182.08142	1.7
183.10167	1.5
183.13834	10.4
185.11748	6.9
187.09659	1.0
189.09163	3.2
193.12297	1.7
195.13818	9.7
199.09747	1.5
203.14302	1.8
205.12314	2.2
207.10202	62.1
208.10570	2.2
209.11766	97.1
210.12070	5.0
211.13326	100.0
212.13591	5.2
213.14867	1.3
221.15492	2.1
223.13371	2.6
225.11273	57.2
226.11670	3.7
227.12685	6.2
229.14316	1.1
235.08162	10.1
236.08606	1.2
237.14932	3.7
239.12817	14.2
247.13423	6.3
251.12915	2.6
253.09248	16.4
263.16504	1.3
265.14392	3.0
275.16318	1.5
329.24799	1.6
339.23203	4.4
345.17041	1.4
355.22736	2.6
357.24420	2.8
373.23917	5.8
375.25507	1.6
383.22260	12.7
391.24826	8.3
401.23312	25.3
402.23627	3.8
409.26108	1.6
419.24390	11.1
437.24915	1.1
443.19278	7.1
447.22284	3.5
451.34348	1.3
461.14221	1.7
461.20264	15.3
462.20395	1.4
475.27216	1.2
475.34167	1.2
493.28040	1.5
510.24881	1.4
572.25195	1.3
595.38104	2.2
609.32996	5.1
611.31696	1.4
613.38904	1.4
619.31396	7.7
620.31116	1.6
627.33887	3.8
637.32263	49.8
638.32532	7.3
655.32343	45.0
656.31122	27.3
684.01044	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95451	1.4
57.03320	3.0
59.01249	13.8
69.20335	10.7
69.20753	4.1
83.04885	5.4
97.06475	2.9
137.09615	1.5
163.11177	6.9
165.56020	1.5
179.14319	2.9
195.13832	17.8
223.13356	14.9
236.11009	1.5
241.14430	100.0
242.14717	6.2
250.80644	1.5
283.15497	54.7
284.15921	4.3
336.10391	1.5
502.79898	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35450	1.6
59.01249	100.0
61.98696	11.5
68.96005	1.5
71.01247	2.9
71.52834	2.8
76.28693	1.6
78.95763	3.2
81.96938	1.6
83.43491	1.6
91.11496	1.6
97.02810	6.6
102.98780	1.7
109.06409	1.9
117.00394	2.0
124.73354	2.4
141.01602	65.5
142.04980	4.2
146.39587	1.5
152.99452	2.1
156.31668	1.5
158.89148	2.4
164.28999	1.7
171.94505	4.0
173.02965	2.1
201.02585	2.6
207.10187	4.7
211.13405	5.0
257.05115	3.4
275.06207	13.8
277.21674	6.1
307.21158	1.8
317.07272	3.7
339.00125	5.0
359.21417	2.6
391.19580	8.0
392.20038	2.5
416.52695	2.0
535.27783	13.9
536.27515	2.0
595.29218	6.5
637.32330	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	655.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66972	0.4
51.79692	0.3
53.43614	0.4
55.01753	0.6
56.24537	0.3
57.03316	1.5
58.00452	1.1
59.01248	29.9
61.19912	0.3
61.98692	1.4
68.38029	0.3
69.03316	0.6
69.44066	1.8
69.44482	0.9
71.01251	18.9
72.99166	1.4
73.02814	10.7
83.01257	3.5
83.04912	0.6
85.02821	4.9
87.00731	1.8
89.02312	7.5
93.03342	2.3
95.01258	1.2
96.95896	0.5
97.02828	0.6
99.00769	1.2
99.04388	0.5
101.02317	11.8
103.03912	0.6
106.04111	4.7
107.04906	1.4
108.02034	0.9
109.02842	0.6
111.00736	0.4
113.02316	6.6
119.03384	3.0
119.04887	1.8
120.99570	0.4
121.02826	2.1
121.37756	0.3
125.02319	1.5
129.01779	0.5
131.03348	0.4
131.34953	0.4
135.04378	0.5
137.02359	0.6
137.58502	0.4
138.03096	1.3
143.03391	1.0
147.08014	0.5
149.02318	1.3
150.03101	0.9
151.00339	0.5
152.01009	1.1
159.08069	3.2
160.03922	1.5
161.04373	1.3
163.03941	1.0
164.04642	0.6
165.05464	0.5
166.02615	0.5
167.03418	0.5
173.09601	0.4
175.00317	0.7
175.11168	1.1
182.02103	1.5
190.02649	2.0
191.03468	0.4
195.13829	0.9
203.07072	1.4
205.04945	1.8
209.11801	0.8
211.07449	0.6
215.14331	1.3
221.39775	0.3
223.06117	1.2
225.12781	0.9
227.14381	4.7
229.15891	3.9
230.59946	0.3
239.12776	1.5
245.15437	6.5
257.15356	0.4
265.07227	0.4
267.34412	0.4
269.04550	1.0
271.13403	4.8
273.14929	6.4
274.15335	0.4
285.15027	0.4
289.14410	4.0
313.14423	0.7
315.15881	0.5
325.09146	0.5
331.15527	0.9
407.20724	5.6
408.21030	1.0
433.18652	10.0
434.19083	1.3
451.19690	100.0
452.20010	11.8
465.21753	0.5
475.19675	2.7
493.20758	46.6
494.20923	4.7
535.21637	2.7
536.22516	0.6
539.27563	0.4
565.22949	1.6
595.23694	2.2
595.32288	0.8
611.26227	0.6
634.51764	0.3
655.24963	8.1
656.26813	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	655.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.3
57.03349	1.5
59.01249	7.8
61.98688	1.4
69.03310	1.8
71.01250	14.9
71.52496	1.2
72.99193	1.3
73.02820	4.0
75.00722	1.2
81.03294	2.2
83.01254	3.2
85.02814	11.5
87.00768	2.0
89.02315	2.5
93.03344	4.2
95.01271	5.3
97.02837	1.6
99.00748	2.3
101.02327	7.2
103.03896	1.7
107.01286	1.7
107.04890	1.0
108.02051	74.8
108.85751	0.9
109.02841	47.2
110.03140	1.2
113.02336	7.1
118.98007	0.9
119.04881	1.2
121.02819	4.3
123.00789	6.3
123.04398	3.1
125.02305	3.6
129.21320	0.9
135.00793	4.1
135.04364	1.2
137.02345	3.8
139.03920	0.9
145.02756	0.9
149.02354	5.3
149.05994	0.9
151.03891	2.6
151.07539	2.1
152.01053	79.6
153.01843	31.9
153.09096	1.6
154.02437	1.0
155.98738	1.8
161.02335	0.9
161.04433	2.5
162.03116	1.4
163.00354	0.9
163.03940	2.7
164.01125	1.0
165.01822	3.3
167.03403	3.1
168.00558	0.8
175.03845	0.8
177.01859	1.7
177.05486	2.0
179.03358	0.8
181.96716	1.4
189.01927	1.2
191.03378	1.9
193.01285	1.2
195.02939	6.0
195.06621	2.9
199.43082	0.8
199.67198	0.8
199.97701	1.9
225.03894	1.4
235.02493	1.7
255.12238	1.1
265.09317	1.7
296.06998	0.9
311.05228	1.0
315.07178	22.2
316.07568	1.7
357.08301	1.7
367.08026	1.0
417.26404	1.3
449.11148	0.9
464.75244	0.9
493.13556	17.1
493.20401	1.7
494.13763	1.1
503.11578	0.9
507.29169	2.1
519.11255	1.1
535.10712	1.2
655.18732	100.0
656.20135	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	655.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	19.5
61.98692	3.3
69.03329	0.4
69.76296	0.7
69.76699	2.6
70.55208	0.4
71.01250	14.2
72.99183	0.8
73.02818	17.1
75.00772	0.8
83.01254	4.6
85.02806	2.2
87.00753	1.2
89.02319	1.7
93.03354	0.9
95.01247	0.6
96.95907	0.8
97.02814	1.0
98.20543	0.6
98.21796	0.5
99.00761	0.8
101.02321	8.9
108.02082	0.8
109.06474	0.9
113.02332	4.5
121.02844	1.8
122.03622	18.6
123.00748	0.8
123.04372	0.8
124.01556	2.0
124.50171	0.4
125.02364	1.1
131.03365	0.5
131.08504	0.9
135.04445	0.9
136.01558	6.6
138.03108	0.9
139.03918	0.5
143.03419	0.6
147.08054	1.6
150.03169	0.5
152.79985	0.5
153.01846	0.5
155.03453	0.5
157.06500	1.1
159.04384	2.5
160.05206	0.9
161.04489	1.1
161.05960	1.3
162.06708	0.9
163.11118	0.7
165.01845	0.5
173.05992	0.9
175.07561	9.8
177.09175	2.2
183.13826	0.7
185.11758	0.6
198.01524	0.7
203.07004	0.7
205.05037	0.7
207.10181	2.1
209.11748	2.5
211.13336	3.7
219.06621	3.2
220.07324	1.7
225.11209	2.3
243.13876	2.7
245.15425	40.2
246.15875	3.1
253.09238	1.2
271.13412	0.6
273.14941	1.2
276.49808	0.5
285.14954	1.5
287.16269	0.9
288.13721	0.8
288.17050	0.5
289.14438	94.4
290.14792	8.3
301.14288	1.0
303.15976	1.6
311.49304	0.5
313.14322	0.6
331.15512	16.3
332.15845	1.6
356.23010	0.5
373.16656	2.8
383.22214	0.7
391.17621	0.4
399.69638	0.5
401.23145	1.6
419.24454	1.1
433.18500	3.0
451.19699	33.0
452.19974	3.9
461.20282	0.5
473.78311	0.4
493.20779	100.0
494.14343	0.9
494.21100	12.6
509.40115	0.5
595.23761	0.7
637.32501	4.3
638.32806	0.7
655.25861	59.1
656.26257	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	654.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46914	0.1
59.01245	0.4
61.98701	100.0
62.98390	0.1
69.89916	0.5
94.26924	0.1
108.52222	0.1
185.50903	0.1
202.92157	0.1
268.03854	0.4
269.04230	0.5
270.04504	0.3
283.06140	0.6
284.06470	0.6
285.04092	0.1
285.06644	0.6
286.07095	0.2
398.84473	0.1
438.83728	0.1
593.82397	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	653.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.2
58.00457	0.7
59.01247	3.1
61.34512	0.2
61.69727	0.2
63.69352	0.1
65.03822	0.9
67.01751	0.3
69.03329	0.2
71.00835	0.3
71.01249	1.1
72.99187	0.2
73.02805	1.2
77.44464	0.2
78.28579	0.2
78.95772	14.2
79.17117	0.2
80.02530	0.6
80.26711	0.2
82.74246	0.2
85.02822	0.3
85.06416	0.2
87.04377	0.3
91.05389	0.3
93.03321	0.4
93.06988	0.2
97.06454	1.1
99.04366	0.2
101.05962	0.5
105.06989	0.2
106.04134	1.8
115.07526	0.5
117.06998	0.5
119.08546	12.7
120.08885	0.4
121.10126	1.3
129.06990	0.2
130.04118	0.2
131.04950	0.4
132.05704	1.1
138.03133	0.3
142.64622	0.2
145.06458	0.9
147.08049	100.0
148.08394	4.4
149.00000	0.8
149.09590	1.2
165.09148	1.4
179.10706	0.2
193.80853	0.2
205.15956	0.3
219.38412	0.2
285.12616	0.5
355.17218	0.2
373.27383	0.8
385.17920	0.2
387.29160	1.1
399.29160	1.0
411.29160	0.2
415.28839	0.2
417.30096	0.6
429.30377	0.3
447.13412	0.9
447.31052	1.8
448.31461	0.3
521.36322	1.8
522.36609	0.3
533.36475	0.8
535.37982	1.2
536.38312	0.2
547.37793	0.9
559.37720	0.6
563.37378	0.4
565.38898	2.1
567.40326	0.4
577.38898	2.1
578.39417	0.3
579.67780	0.2
593.38013	0.3
595.39990	94.7
596.40338	20.7
617.41833	0.7
635.43011	0.6
636.43152	0.3
653.18970	0.4
653.30072	7.3
653.44092	6.3
654.30548	1.6
654.44336	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	653.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.2
58.00471	0.5
59.01249	2.6
61.98717	0.5
65.03834	1.2
67.01756	0.4
67.48625	0.2
71.01250	1.3
71.04899	0.3
72.99200	0.3
73.02816	1.6
73.33659	0.2
78.95776	15.1
80.02537	0.5
85.02813	0.4
87.04384	0.3
93.03323	0.3
93.66203	0.2
97.02772	0.3
97.06463	1.0
98.20551	0.6
99.04403	0.4
101.05966	0.6
106.04117	1.7
113.82135	0.2
115.07567	0.5
117.07018	0.3
119.08552	12.0
120.08897	0.6
121.10129	1.6
130.04172	0.3
131.04964	0.3
132.05717	1.0
145.06520	0.9
147.08064	100.0
148.08394	5.9
149.00003	0.8
149.09627	1.0
157.08582	0.6
165.09117	1.0
205.15964	0.5
277.21762	0.8
285.12598	0.5
355.16739	0.5
373.27521	1.0
385.22885	0.2
387.28986	1.0
399.29147	1.2
411.28891	0.4
417.29883	0.6
422.73392	0.3
429.30258	0.4
447.13300	1.0
447.31265	1.3
448.31339	0.3
473.82315	0.2
521.36377	2.0
522.36884	0.5
523.37170	0.5
533.36224	0.5
535.38086	1.3
536.38013	0.3
547.37958	0.9
559.37524	0.5
565.39038	2.0
566.39673	0.5
577.38971	1.8
578.39691	0.3
595.39996	92.4
596.40320	19.2
605.41284	1.4
617.41968	0.7
623.42188	0.3
629.63531	0.2
635.42969	0.6
641.48663	0.3
653.30054	7.5
653.43958	9.0
654.31311	1.5
654.44128	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	653.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
55.75039	0.3
57.03316	0.9
58.00465	2.1
59.01249	38.6
60.01567	0.4
61.98697	1.6
68.99685	0.6
69.03332	2.3
71.01250	35.9
72.01594	0.5
72.99169	2.9
73.02816	6.1
75.00758	0.8
81.03329	1.7
83.01250	4.0
85.02821	7.6
85.99979	0.3
87.00746	9.3
87.04454	0.3
89.02311	30.7
90.02663	0.6
90.18699	0.2
91.03898	0.3
93.03329	0.4
95.01252	2.5
97.02824	6.7
99.00751	2.1
101.02320	28.9
102.02660	0.5
103.00240	0.3
103.03887	0.4
107.03389	0.3
109.02840	0.7
111.00753	0.6
111.04395	1.2
112.61201	0.3
113.02322	13.5
114.02672	0.4
115.03893	0.7
119.03385	10.2
120.03675	0.2
121.02843	0.6
123.00779	0.4
124.01556	0.4
125.02330	13.0
126.02676	0.3
127.03912	0.4
131.03381	2.0
133.04933	0.9
137.02295	0.5
139.03897	1.2
141.01787	0.6
143.03400	6.1
144.03766	0.3
149.02396	0.2
149.04427	0.9
161.04457	6.6
162.04626	0.2
167.03369	0.8
169.05026	0.5
177.39064	0.3
179.05516	6.3
180.06158	0.3
185.04462	0.7
199.06044	0.5
203.05576	0.3
209.04510	0.3
217.07072	0.8
219.05025	0.4
221.06602	2.5
229.66573	0.3
235.08183	13.9
236.08484	0.6
245.06645	1.1
253.09256	3.9
255.23253	100.0
256.23605	8.3
259.08157	0.3
263.07651	1.4
269.24829	0.8
277.09253	1.0
287.07718	3.5
288.07971	0.3
297.24338	0.3
305.08777	4.0
323.09763	1.8
333.82446	0.2
358.09851	0.2
361.11261	0.6
379.12479	0.9
397.13461	87.5
398.13828	6.8
415.14536	33.5
416.14896	2.4
653.38141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.4
57.03326	1.1
58.00474	2.1
59.01249	40.7
60.01590	0.4
60.71789	0.2
60.95450	0.2
61.98694	2.0
67.01748	0.4
68.99694	0.6
69.03328	2.5
71.01251	37.5
72.01599	0.4
72.99175	3.0
73.02819	6.4
75.00749	1.0
81.03332	1.6
83.01260	4.5
83.04911	0.3
84.02045	0.2
84.16907	0.2
85.02821	8.0
85.99951	0.2
87.00748	9.3
87.04381	0.2
89.02316	31.5
90.02654	0.5
91.03882	0.6
93.03361	0.2
95.01267	2.8
95.04899	0.3
97.02823	6.4
99.00759	2.2
99.04408	0.5
101.02321	29.1
102.02666	0.5
103.03858	0.3
107.04961	0.3
109.02832	0.8
111.00749	0.6
111.04382	1.1
113.02327	14.9
114.02642	0.3
115.03889	0.7
116.04917	0.3
119.03387	9.7
121.02830	0.8
123.00739	0.4
123.04366	0.3
124.01553	0.6
125.02335	13.1
126.02672	0.7
127.03913	0.6
129.01765	0.2
131.03384	1.3
133.04962	1.0
137.02347	0.4
139.03931	1.1
141.01863	0.7
141.05493	0.2
143.03397	6.1
149.02362	0.3
149.04427	1.1
152.00212	0.2
157.05063	0.3
161.04457	6.7
162.04764	0.2
167.03397	0.7
169.05016	0.5
171.02869	0.4
172.08937	0.2
174.40280	0.2
179.05519	6.0
180.05930	0.2
181.04961	0.4
185.04492	0.8
199.06010	0.6
203.05583	0.5
217.07085	0.9
219.05026	0.5
221.06615	2.5
221.69588	0.2
235.08179	12.9
236.08543	0.7
237.22269	0.2
245.06580	0.9
253.09229	3.5
254.09572	0.2
255.23257	100.0
256.23602	8.7
256.26373	0.2
263.07684	1.4
269.24866	0.7
277.09338	1.2
279.23257	0.2
287.07684	3.3
288.08191	0.4
297.24249	0.3
305.08752	4.1
323.09866	1.6
324.10101	0.2
361.11322	0.5
379.12509	1.1
380.13339	0.2
397.13480	78.2
398.13806	6.9
407.17596	0.2
415.14560	29.7
416.14996	2.4
534.07758	0.2
579.36627	0.3
653.25543	0.4
653.37610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.4
59.01250	100.0
60.01585	1.1
61.98706	1.2
70.54716	0.8
71.01256	1.1
73.02820	0.3
75.00735	0.2
75.56895	0.2
76.36330	0.2
83.04883	0.3
85.02842	0.7
87.04416	0.2
89.02309	0.3
93.03345	0.2
101.02343	0.7
113.02379	0.4
119.04932	0.5
121.02865	0.5
122.03671	0.3
135.29027	0.2
149.02393	0.2
152.01024	0.3
160.03831	0.2
161.04427	0.2
181.04932	0.3
190.02698	0.3
205.05106	0.5
247.39900	0.2
255.54597	0.2
269.04654	0.2
271.04898	0.2
285.04016	0.3
286.07297	0.3
287.12939	0.2
308.72803	0.2
319.15430	0.2
327.22824	0.2
355.94495	0.2
385.88754	0.2
403.28613	0.3
445.29898	0.6
463.53448	0.2
473.29520	0.2
517.28064	1.5
549.30640	5.4
550.31714	0.4
567.31561	1.0
593.37201	0.2
609.33124	0.5
646.00659	0.2
651.02319	0.2
653.30957	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2817
Annotation	Taxumairol L
Peak:m/z	Relative Intensity
50.30458	0.5
55.01763	0.9
57.03320	0.9
58.00434	0.7
59.00958	0.9
59.01251	15.1
61.98686	1.0
65.00194	1.1
68.99697	0.7
71.01253	9.5
72.99169	1.5
73.02817	2.9
75.00751	0.7
80.86862	0.5
83.01263	2.6
85.02812	5.2
85.99978	0.7
87.00751	1.1
89.02328	2.4
91.01756	1.2
93.03332	3.6
95.01263	0.9
99.00753	1.7
101.02319	5.3
107.04901	1.5
108.02032	1.2
109.02840	1.2
111.00764	2.2
113.02312	3.6
115.00258	0.7
119.01269	4.8
119.03402	0.6
119.04922	6.4
120.99548	2.4
121.02837	6.1
123.04344	0.7
124.79058	0.5
125.02345	1.4
126.83828	0.6
131.01285	0.8
133.02843	1.1
134.03621	3.4
135.04419	2.5
137.02332	1.5
143.03409	0.8
145.02948	0.7
147.00798	5.9
147.04457	1.0
148.01575	5.0
149.02342	20.5
150.03133	9.6
151.03928	3.0
152.01024	3.0
153.01855	4.4
155.03418	0.7
159.04503	0.7
160.03943	1.4
161.02357	1.3
161.04453	0.9
162.03227	0.8
163.03938	10.3
164.04694	13.3
165.01823	1.9
165.05515	3.4
167.03505	0.9
169.04985	1.6
173.00784	1.0
175.00272	26.3
175.03876	1.0
176.01067	57.7
177.01736	4.4
178.02580	0.6
179.07068	1.6
181.04970	0.6
189.01785	0.9
190.02635	82.9
191.03416	71.3
192.03839	3.8
193.01334	1.9
193.05028	0.8
194.02150	4.0
195.02867	3.4
197.15404	0.8
205.04996	76.7
206.05362	4.0
207.02817	0.9
207.06451	0.6
208.03729	1.7
209.04512	5.8
223.06050	10.1
224.06508	0.6
225.14896	1.8
237.04030	1.6
243.15942	0.6
251.05542	1.3
265.09479	0.8
309.07312	0.5
327.67596	0.6
348.44531	0.6
355.06610	1.2
387.20139	1.4
405.21317	9.3
406.21530	1.0
436.19177	0.6
447.22369	2.7
465.17621	1.0
491.22900	0.9
519.21967	0.8
534.24390	1.2
549.26941	10.6
550.26965	1.7
551.24670	1.2
561.23260	5.2
565.26508	8.6
566.26843	1.0
575.25220	1.0
579.24792	0.8
593.26019	65.7
594.26251	8.7
596.25153	0.7
604.97491	0.6
611.27032	53.8
612.27472	7.4
653.19153	3.9
653.28137	100.0
654.18903	0.7
654.28448	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	14.5
58.00453	0.5
59.01250	16.1
61.98703	3.7
65.19801	0.4
67.07133	0.3
69.48248	0.9
69.48656	1.9
71.01250	7.0
72.99187	1.4
73.02811	2.2
81.03329	1.2
83.01269	1.4
83.04861	0.5
85.02812	3.7
87.00747	0.9
87.04408	0.4
88.98676	0.6
89.02305	3.2
91.05402	0.4
93.03349	1.4
95.01286	0.5
96.95915	0.4
99.00729	0.7
99.04397	14.6
100.04703	0.4
101.02319	8.6
103.03888	2.3
107.04905	0.8
108.02080	0.7
111.00765	2.8
113.02298	2.5
116.92698	0.4
119.03384	0.8
119.04889	2.7
121.02853	1.0
125.02326	11.7
126.02744	0.5
130.93376	0.4
131.04915	1.3
135.04442	0.6
137.02388	0.6
137.05978	1.0
143.03412	1.1
145.02829	0.4
147.04414	4.6
149.02379	0.4
150.25473	0.3
151.00253	0.5
151.03915	0.5
152.01050	0.9
153.01828	0.4
153.05449	0.4
154.99838	0.5
160.03896	1.1
161.04472	1.3
161.05771	0.4
163.03943	1.6
164.04634	0.3
166.04883	0.4
173.00847	1.0
174.03139	0.7
175.03918	73.7
175.84875	0.4
176.04312	4.1
177.01782	0.3
187.03935	1.7
190.02689	0.9
199.13319	0.8
205.03348	0.6
205.04999	1.7
223.06126	0.7
225.14978	0.4
227.07048	3.6
233.10207	0.7
241.14430	0.5
245.08153	12.4
246.08501	1.0
255.02911	0.6
260.61325	0.4
261.07529	0.6
263.09216	100.0
264.09540	7.1
265.09216	2.1
269.04575	1.6
271.05957	0.4
275.11365	0.6
285.03995	0.6
287.13037	0.6
295.10394	3.6
405.20938	0.6
449.18079	1.1
457.52176	0.4
465.15765	1.8
473.18613	0.6
491.18976	5.0
505.28171	1.6
611.26440	0.5
653.30493	5.9
654.31995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34848	0.2
59.01258	1.2
61.98706	1.4
64.64504	0.2
71.01235	0.3
78.95772	5.8
79.95603	3.0
81.56835	0.2
94.97964	0.2
96.95884	100.0
96.96788	8.9
98.02357	0.3
145.42583	0.2
182.63170	0.2
209.11766	0.8
223.13347	0.3
225.11501	0.3
251.03676	0.2
269.85483	0.2
283.11185	0.2
302.99521	0.2
653.43243	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34848	0.2
59.01258	1.2
61.98706	1.4
64.64504	0.2
71.01235	0.3
78.95772	5.8
79.95603	3.0
81.56835	0.2
94.97964	0.2
96.95884	100.0
96.96788	8.9
98.02357	0.3
145.42583	0.2
182.63170	0.2
209.11766	0.8
223.13347	0.3
225.11501	0.3
251.03676	0.2
269.85483	0.2
283.11185	0.2
302.99521	0.2
653.43243	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.1
59.01250	23.2
61.25223	0.9
61.98683	2.3
63.02245	1.4
65.00194	2.2
67.01776	1.5
69.03297	1.8
69.36615	8.0
71.01257	11.2
72.99159	3.0
73.02805	5.2
75.00751	1.8
79.01736	1.6
81.03329	10.6
83.01259	5.4
85.02825	10.3
85.96819	0.9
87.00761	2.7
89.02309	4.8
91.05392	2.3
93.03327	5.8
95.01266	2.1
95.04900	11.4
96.95885	2.4
97.02805	5.5
99.00777	1.9
99.04391	4.9
101.02309	8.1
103.00191	1.2
103.03890	1.8
105.03320	2.3
107.01251	3.7
108.02030	3.9
109.02815	4.0
111.00767	22.9
111.04396	1.1
111.08009	1.0
113.02322	5.2
117.03335	3.9
119.01276	1.4
119.03404	1.2
119.04910	28.6
120.05227	1.7
120.99529	4.5
121.02838	5.7
122.03705	1.1
123.00743	1.3
123.04401	10.0
125.02353	12.7
129.01759	1.9
131.01282	1.4
133.02843	5.3
134.03630	1.0
135.00723	1.5
135.04396	3.5
137.02332	4.8
139.03874	3.0
143.03300	1.5
147.00761	1.7
147.04361	1.6
147.08092	1.2
149.02359	8.7
149.51656	1.0
150.03101	3.5
151.00278	6.4
151.03809	1.8
152.01012	3.2
153.01834	3.2
154.99724	3.4
157.06459	1.2
159.04411	4.3
160.03926	7.5
161.02324	1.7
161.04433	1.9
163.00293	2.3
163.03914	27.7
164.04591	1.8
164.89401	0.9
165.01851	3.7
165.05423	1.9
167.03412	51.6
168.03784	2.3
171.08052	1.2
173.00845	12.2
175.00313	9.5
175.03946	3.2
175.07555	1.4
176.01060	11.2
177.01842	2.5
179.03284	1.3
179.05492	1.2
179.06960	1.1
185.05960	1.1
189.01915	2.1
190.02641	16.1
191.03424	15.2
193.01399	4.4
193.04971	1.3
194.02097	1.5
197.04422	2.2
197.06029	2.3
199.03938	2.1
199.07567	4.6
201.05540	2.0
205.05019	12.7
209.04512	2.6
213.09113	5.9
215.07103	2.2
217.08569	1.2
221.91434	0.9
223.06046	3.5
227.07170	1.1
239.07120	1.3
241.04915	2.1
241.08693	5.1
241.14185	1.2
243.06570	7.2
255.02930	1.4
255.06604	7.9
256.03635	1.0
256.07440	4.6
257.08099	1.0
265.09167	3.3
267.06601	7.7
269.04443	2.0
269.08224	1.4
271.05948	1.4
281.08215	1.8
283.02591	1.0
283.06082	1.9
284.03284	26.2
284.06360	1.3
285.04016	60.5
285.07651	89.1
286.04349	3.9
286.07938	7.4
297.07565	3.8
299.05676	13.2
309.07648	22.8
310.08035	1.5
315.08798	7.0
327.08624	4.7
333.20456	1.2
339.08569	3.3
351.08899	1.0
353.08929	6.4
387.10660	1.0
405.11697	1.8
405.20511	1.1
417.21451	3.0
429.11905	2.4
447.12961	100.0
448.13275	10.6
465.17218	3.4
477.14059	10.8
479.22995	2.5
491.22537	1.8
495.25812	2.5
537.27020	4.0
549.27466	1.2
565.26263	4.3
567.17023	2.1
593.26050	5.6
609.17609	3.5
609.25500	3.2
611.26935	5.5
653.15063	35.2
653.27887	15.3
654.15198	7.1
654.26300	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	652.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	13.8
60.01585	1.4
61.01667	1.4
61.57670	0.3
61.98699	100.0
70.90723	1.0
71.01247	2.8
73.02824	0.6
80.99760	0.3
83.04878	2.0
84.05230	0.7
85.02799	0.4
87.00727	0.7
89.02314	1.8
92.96294	0.3
97.02844	0.5
97.21479	0.3
101.02312	1.8
101.05976	1.8
102.06293	0.6
113.02328	1.0
119.03389	0.4
125.02389	0.7
161.04524	0.6
182.75354	0.4
235.08267	1.0
255.23222	6.9
277.21774	1.9
305.09253	0.4
397.13556	5.7
402.31033	0.3
415.14386	1.9
485.36002	0.5
532.37585	1.6
533.37531	3.7
534.37799	6.1
590.41504	0.8
591.42004	1.1
592.41949	4.4
653.26544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76186	0.6
57.02059	0.6
57.70114	0.7
57.76693	0.6
59.01246	5.1
64.62478	0.5
67.01750	2.0
69.03316	1.2
71.01248	6.2
71.52657	0.6
72.99170	2.5
73.02797	2.5
83.01255	2.6
85.02820	16.7
89.02317	1.4
93.03323	1.7
95.01244	2.6
97.02864	0.6
99.00742	1.4
101.02312	4.6
102.73914	0.6
103.03873	0.9
107.01276	0.9
108.02043	62.0
109.02845	26.4
110.03161	1.4
111.00757	59.3
112.01070	1.0
113.02345	2.1
119.04921	1.5
121.02824	3.1
123.00771	1.9
123.04408	1.5
125.02290	1.6
129.01842	5.0
132.01979	0.6
133.02855	2.6
135.00784	3.9
135.04428	1.1
143.26091	0.6
149.02348	0.9
151.03918	2.2
152.01047	77.9
153.01839	34.3
154.02145	1.0
154.99751	8.1
159.02849	0.8
161.04362	0.9
163.03928	3.0
165.01828	2.4
173.00816	34.0
174.01114	0.9
176.01170	0.9
177.01840	31.7
178.02103	1.1
191.03477	1.0
195.21870	0.7
225.04010	1.0
244.30673	0.6
248.19807	0.6
248.22324	0.6
265.09262	1.1
269.04498	2.0
283.06137	0.9
315.07196	100.0
316.07529	7.9
339.07184	49.3
340.07443	3.5
383.06168	41.4
384.06619	3.1
401.07251	15.3
402.07462	0.8
574.99701	0.7
577.15912	0.8
653.16583	5.1
653.24982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.2
59.01247	3.7
60.01590	0.4
61.01676	0.2
61.98698	100.0
62.99129	0.1
69.45462	1.0
71.01261	0.3
78.95789	0.7
85.02826	0.2
89.02322	0.3
97.06503	0.1
101.02328	0.4
101.05962	0.4
135.04341	0.1
153.09030	0.2
171.00520	0.1
181.06415	0.1
188.29755	0.1
200.48299	0.1
217.07362	0.1
255.12384	0.3
263.09219	0.2
264.83035	0.1
489.32129	0.3
490.32758	0.6
574.25922	0.3
589.26831	0.2
652.36060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.2
59.01249	62.2
60.01551	1.6
61.98701	19.8
69.03323	2.0
69.17310	1.7
69.17711	9.0
71.01249	27.4
72.99165	4.4
73.02808	6.8
81.03279	1.3
83.01252	2.7
85.02818	8.1
85.99982	1.2
87.00734	8.3
88.98652	1.3
89.02293	3.2
90.69430	0.9
93.03316	1.8
95.01259	1.8
96.95855	1.3
97.02812	1.6
99.00735	2.9
99.04352	1.0
101.02318	7.7
108.02042	1.7
109.02856	1.0
111.00719	1.9
113.02347	5.8
119.03378	1.6
119.04890	3.5
121.02823	5.6
121.06518	1.2
122.03597	1.1
123.04371	1.3
124.01508	1.5
125.02316	4.6
128.49730	0.9
133.02834	3.6
134.03609	1.5
135.04417	2.3
143.03438	1.6
147.04384	3.9
149.02327	1.3
149.05873	1.3
151.00188	2.7
151.95638	0.9
152.00952	1.7
157.06476	1.0
159.04318	1.3
160.03912	2.1
161.02298	1.8
161.04376	2.9
163.03873	2.9
166.02463	0.9
171.10199	1.3
173.05954	2.2
175.03880	2.7
175.07520	3.3
177.01804	3.1
178.02402	1.1
187.07477	1.7
189.09058	2.1
191.03427	0.9
205.05034	1.5
206.02124	1.3
213.09085	1.1
217.08624	1.4
233.11710	2.6
241.08717	1.3
245.11700	2.4
247.09993	1.2
255.02948	1.4
261.11288	2.4
265.09204	1.1
268.03690	2.1
269.04565	6.1
270.04840	1.1
271.13623	1.0
273.11246	6.2
273.14944	1.8
275.13138	1.3
283.02393	2.1
284.06213	1.2
285.03992	2.8
289.10751	2.3
290.11542	1.1
299.12808	1.5
313.14294	2.4
315.15982	5.9
315.19525	2.5
333.20767	6.3
341.17548	2.4
343.18985	1.5
357.20642	1.7
359.18558	5.2
361.20184	1.3
369.20776	1.2
371.22223	3.6
383.22369	1.6
385.20053	1.0
387.21655	2.9
399.21536	2.4
413.19681	2.7
431.20563	1.7
441.22864	2.2
447.09079	1.6
459.23880	6.1
460.24088	1.3
467.20383	2.3
495.25925	2.0
503.22812	5.1
510.36160	1.1
519.26270	6.8
521.23914	3.0
545.23932	5.6
546.24359	1.1
563.24915	100.0
564.25232	15.8
565.29199	1.4
566.25757	5.4
590.26062	10.9
591.26196	2.8
608.27075	94.5
609.27368	16.5
651.36835	1.2
652.38251	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	652.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87231	0.2
57.03305	0.2
59.01251	4.6
59.17054	0.2
59.33016	0.2
60.01594	0.2
61.98701	100.0
71.01260	1.3
71.52386	0.4
73.02837	0.3
78.95773	4.5
80.64235	0.2
85.02826	0.5
89.02313	0.6
96.96812	0.5
101.02328	0.6
101.05984	0.3
108.02061	0.3
109.06532	0.2
113.02349	0.7
119.04958	0.3
121.02798	0.3
152.99521	0.9
161.26498	0.2
164.20944	0.2
171.00551	1.0
198.62775	0.2
209.11830	0.3
268.09460	0.3
283.06177	0.3
334.97861	0.2
574.26300	0.3
592.35376	0.5
609.64001	0.3
652.34399	3.1
653.36664	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91997	0.2
54.61923	0.2
58.98156	0.2
59.01244	2.7
61.98701	100.0
71.01262	0.6
71.33011	0.2
71.33355	0.2
73.02824	0.2
78.95773	8.7
85.02831	0.4
87.00732	0.2
89.02318	0.2
96.96849	0.8
101.02316	0.4
101.05968	0.6
112.76592	0.2
113.02303	0.2
119.04978	0.2
152.99490	1.8
171.00554	1.6
176.62950	0.2
203.20770	0.2
209.11763	0.3
268.09637	0.4
273.14978	0.3
470.09695	0.2
545.27356	0.3
574.26178	0.3
652.34619	5.7
653.35437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.5
59.01244	2.3
61.98706	0.3
64.36928	0.2
65.03825	0.8
67.01765	0.5
71.01248	5.0
71.04876	0.3
73.02814	9.6
74.03172	0.2
78.95835	0.2
80.02543	0.5
81.03321	1.0
83.04908	0.3
84.02023	0.2
85.02814	1.5
87.04377	1.1
88.36472	0.1
91.05418	0.3
93.03326	0.4
94.95187	0.1
95.04881	0.2
97.02834	0.3
97.06450	1.6
98.03604	0.3
99.04402	1.0
102.30672	0.1
103.03873	1.4
106.04119	1.7
117.07001	0.4
119.04980	0.2
119.08546	12.5
120.08887	0.5
121.10114	1.9
123.04379	0.2
124.05194	2.7
129.07011	0.3
131.04953	0.3
132.05678	1.1
138.03168	0.3
145.06487	1.3
147.08055	100.0
147.88463	0.2
148.08385	4.6
149.09618	0.8
164.08441	0.2
165.09109	1.4
228.47012	0.2
355.26385	0.3
373.27448	3.5
374.27765	0.4
385.27429	0.3
391.28616	0.4
397.27429	0.3
399.28879	0.3
411.29120	0.3
413.30673	0.7
419.29636	0.3
429.30307	0.3
437.30453	0.8
455.31577	3.0
456.32068	0.5
473.32693	0.5
503.33456	1.2
503.71365	0.2
521.36310	15.2
522.29230	0.2
522.36737	2.7
533.36298	7.3
534.36591	1.4
535.37384	0.3
547.37885	3.5
548.38287	0.5
559.37842	1.2
560.38458	0.2
561.39148	1.1
562.40057	0.2
563.37506	0.7
577.38928	5.6
578.39423	1.3
585.39056	0.9
591.40363	0.7
603.40479	30.2
604.40802	6.2
615.40546	0.3
621.41534	11.1
622.41687	2.3
633.41498	0.6
651.42572	47.6
652.42883	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	651.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	26.4
59.01240	3.9
69.51558	12.1
69.51964	3.2
71.01266	3.5
72.02016	2.9
82.20767	1.8
83.04889	25.2
87.04382	70.5
95.04890	2.5
97.06455	16.3
98.19855	3.7
113.05978	9.5
121.06430	2.6
137.09607	14.5
139.07526	2.0
149.09616	3.0
151.11130	2.1
153.09114	13.6
161.20627	2.1
165.12718	5.8
169.67140	2.0
177.12845	2.6
195.13829	29.9
196.14102	3.0
219.13774	3.9
237.14919	100.0
238.15364	8.6
239.12781	7.5
243.22267	2.1
281.13947	27.2
282.14182	2.8
340.50113	1.9
683.90570	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	651.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.6
59.01248	1.9
59.58886	0.2
65.03823	0.9
67.01758	0.5
69.77061	1.2
71.01251	5.3
73.02814	9.4
78.95799	0.3
80.02551	0.5
81.03345	1.1
83.04890	0.3
84.02061	0.4
85.02824	1.6
85.06456	0.3
87.04407	1.0
88.27992	0.2
91.05452	0.2
93.03369	0.5
93.07004	0.2
95.04939	0.2
97.02827	0.4
97.06465	1.5
98.03641	0.3
99.04382	0.9
100.86665	0.2
103.03873	1.2
106.04124	1.9
106.45238	0.2
114.05524	0.2
117.06995	0.3
119.04908	0.2
119.08548	11.6
120.08875	0.4
121.02810	0.3
121.10120	1.8
123.04400	0.4
124.05195	2.8
129.07004	0.3
131.04924	0.3
132.05702	1.8
138.03041	0.2
145.06497	1.0
147.08052	100.0
148.08397	4.1
149.09627	0.7
149.67166	0.2
164.08322	0.2
165.09103	1.4
209.51482	0.2
246.00925	0.2
296.39334	0.2
373.27435	3.8
374.27652	0.4
385.27490	0.4
391.28458	0.3
397.27649	0.2
411.29022	0.4
413.30914	1.0
419.29718	0.3
429.30344	0.2
437.30576	0.8
455.31628	2.9
456.32104	0.4
473.32709	0.3
503.33997	1.0
521.36316	14.4
522.36609	3.0
533.36353	7.1
534.36810	1.5
547.37939	3.3
548.38135	0.7
559.37897	1.1
560.38635	0.3
561.39471	0.9
563.37433	0.8
575.38312	0.2
577.38849	5.5
578.39178	0.8
585.39252	1.0
591.40173	0.7
592.41248	0.2
603.40497	29.5
604.40906	5.9
621.41516	11.1
622.41956	2.3
633.41718	0.7
651.42596	46.7
652.42957	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	651.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.8
61.98707	0.3
62.82985	0.2
63.02305	0.2
63.30865	0.2
69.20799	1.4
69.21227	0.8
69.33025	0.2
72.99158	0.2
73.55919	0.2
76.42464	0.2
89.02286	0.2
89.19118	0.2
99.20279	0.2
101.02374	0.3
103.24642	0.2
107.01288	0.4
126.44469	0.2
135.85001	0.2
151.00293	0.8
171.04436	0.2
180.69031	0.2
239.03392	0.3
239.13136	0.2
240.04239	1.0
259.12845	0.2
267.02954	0.5
268.03745	50.2
269.04117	4.2
283.06091	100.0
284.06442	8.7
285.04666	0.2
285.07651	1.5
651.19299	0.6
651.37421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94817	1.1
56.85390	1.1
57.03313	2.4
59.01249	64.5
61.98709	5.9
69.03342	1.6
71.01250	21.5
72.99172	2.0
73.02820	4.9
75.00739	2.2
78.95773	1.6
83.01263	3.9
83.04897	1.9
85.02825	11.1
87.00732	2.1
88.98679	1.6
89.02325	7.2
93.03342	3.2
93.60467	1.2
95.01270	3.6
99.00793	3.5
101.02318	12.4
108.02052	68.6
109.02841	39.1
111.00764	3.8
113.02329	8.5
119.03381	2.6
119.04916	5.5
121.02841	3.5
123.00759	1.8
123.04414	4.4
125.02406	2.0
135.04407	2.1
137.02364	2.7
143.03426	1.3
146.89084	1.1
149.02252	1.4
151.00288	3.2
151.03906	3.2
152.01057	100.0
153.01843	31.6
153.05511	5.6
154.02193	1.1
160.03940	2.8
160.05261	1.4
161.04471	3.6
161.13350	1.3
163.03932	4.2
165.01891	2.2
165.12642	1.4
171.10216	1.9
179.03409	1.7
179.05438	1.2
181.05055	1.3
187.11243	5.6
190.02574	2.0
195.13896	3.6
201.11282	1.6
203.10561	1.3
205.04991	2.2
221.04619	1.3
223.06035	2.0
241.08762	1.4
241.14441	18.6
242.14737	3.2
251.11320	2.4
251.53137	1.4
255.02951	1.2
265.09241	2.0
265.14380	3.0
268.03821	3.8
269.04562	2.0
271.06186	1.6
283.06039	7.5
315.07217	24.1
316.07751	1.5
503.19232	82.2
504.19620	10.3
531.68341	1.2
547.18256	26.2
548.18658	3.6
565.19238	5.3
607.20319	51.3
607.29547	4.6
608.20697	8.7
650.41217	2.6
651.28052	4.5
651.38593	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	651.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	13.4
59.01247	16.4
61.98696	1.9
65.00188	1.0
70.45322	0.7
71.01252	9.9
72.99154	1.3
73.02821	2.8
75.00741	1.1
83.01250	2.1
83.57979	0.8
85.02812	6.3
87.00747	1.5
88.98676	0.8
89.02324	4.0
93.03334	2.3
95.01263	1.7
96.67553	0.7
96.95882	1.1
97.02826	1.1
98.20683	1.4
99.00740	1.3
99.04398	2.7
101.02318	7.6
103.03845	3.4
107.04904	2.4
108.02055	1.6
109.02837	1.0
109.99998	1.4
111.00753	3.2
113.01512	0.6
113.02313	3.4
119.03393	1.5
119.04927	5.9
121.02839	3.1
123.08100	1.0
125.02313	3.0
128.03377	0.8
134.03691	0.8
137.02359	1.5
137.09584	1.1
139.00298	1.6
143.03410	0.8
149.02357	3.8
149.09688	1.2
151.00302	2.3
152.01028	2.2
153.01784	0.9
160.03795	1.0
161.02377	0.8
161.04462	1.2
163.03920	4.5
163.07584	1.0
164.98212	2.7
165.05273	0.7
165.12755	0.9
165.99054	4.0
171.04422	1.4
173.00940	1.1
174.03114	1.0
175.00311	2.1
175.03836	1.0
177.98940	0.8
178.99815	1.0
179.10747	0.9
181.05000	8.3
190.02737	0.8
190.05014	0.9
195.13861	5.6
199.03923	0.8
201.01787	0.8
205.05009	1.2
215.03477	1.9
223.05945	1.0
230.02118	1.8
231.02850	1.4
239.12837	10.9
239.83833	0.7
241.01515	0.8
242.02196	1.7
243.02931	2.4
256.02499	2.9
257.00983	1.0
258.01645	5.1
259.02432	2.7
263.12903	2.9
265.09338	2.4
267.06702	0.9
269.04712	1.3
269.17917	0.8
270.01669	1.8
270.04141	2.4
271.02359	1.4
271.04895	8.7
283.02573	1.4
285.03973	2.3
286.01236	10.8
286.07193	20.0
286.10187	1.3
287.01978	38.6
288.02341	2.7
297.00214	0.8
300.02649	1.0
301.03543	6.1
302.04260	3.4
305.08496	0.8
314.00705	4.7
314.03741	0.8
315.01474	35.8
316.01877	2.7
325.09357	0.8
329.03040	29.4
330.03778	61.4
331.04163	5.8
344.05310	8.0
345.06131	100.0
346.06461	7.6
353.10193	2.7
356.13406	0.8
365.57861	0.8
403.19644	1.4
448.12659	6.0
478.31192	0.8
489.19894	5.0
490.13550	4.7
493.10330	0.9
507.11423	17.0
508.11395	1.8
520.90448	0.9
543.32166	0.8
549.12457	25.7
550.12720	3.7
575.19366	0.9
589.15778	3.1
607.33344	1.4
621.22351	1.5
633.22247	2.2
650.36646	0.9
651.15851	6.3
651.25879	3.3
652.15839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1554
Annotation	Kaempferol 3-(6''-acetylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
58.02848	0.5
59.01250	1.1
60.27187	0.6
63.02268	0.6
65.00238	0.9
67.01787	0.5
70.87067	0.5
71.01269	1.0
72.74301	0.5
83.01273	0.8
91.05421	0.5
93.03371	1.6
96.25821	0.5
101.02323	1.2
107.01291	1.2
109.02808	0.6
117.03376	1.4
123.00753	0.7
123.04423	0.5
129.01822	0.8
133.02827	0.6
135.04408	3.8
147.07985	0.5
149.02336	0.7
151.00302	2.6
151.03787	0.5
153.05522	1.4
154.04134	0.5
155.04958	0.7
159.04442	1.7
161.02367	0.6
163.03926	4.2
164.07053	0.7
169.06526	0.9
171.04538	0.7
173.02345	0.6
179.03531	0.7
179.05466	0.5
181.04951	8.3
182.03526	0.8
183.04422	3.7
185.05936	1.1
187.03990	1.0
199.03999	0.7
206.08167	2.3
211.03934	3.3
213.05367	0.9
215.03448	0.7
227.03458	6.0
228.03734	0.7
239.03380	0.7
241.04944	0.8
253.04678	0.6
255.02956	54.5
256.03348	4.3
269.04489	0.6
283.02460	100.0
284.03009	13.8
285.04013	90.1
286.04401	6.7
297.04004	1.6
299.05405	0.7
309.03979	0.7
326.03986	0.6
327.05023	4.7
328.05234	0.9
351.05069	0.7
368.09613	0.8
369.05896	0.6
369.10028	0.9
411.08661	0.7
441.09891	0.6
446.08524	25.0
447.09229	21.1
447.15479	1.0
448.09375	2.2
448.15314	0.5
489.10324	33.2
490.10663	3.8
501.10880	0.7
530.12750	0.7
531.11792	3.7
532.11694	0.6
552.97723	0.6
593.14313	0.5
594.15411	2.2
623.69946	0.6
651.15558	62.0
652.15894	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	650.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15778	0.4
51.35336	0.3
59.01247	3.0
61.98699	100.0
67.01757	11.8
68.99686	3.3
69.27595	4.0
71.01262	0.8
72.99178	0.4
80.09575	0.4
81.03347	0.4
87.66389	0.3
101.05958	45.3
101.99720	0.4
102.06266	0.7
111.00740	0.7
122.57437	0.4
127.07532	0.5
131.84193	0.4
132.92484	0.4
188.01004	0.6
190.20621	0.4
201.01839	0.6
216.00545	3.5
217.00937	2.0
347.18652	0.9
371.18530	0.5
415.21277	0.6
431.24240	0.6
499.26913	3.0
521.93970	0.4
543.25952	52.2
544.07037	0.4
544.26385	7.6
587.24847	2.0
588.24426	0.4
649.39795	1.2
650.40271	0.8
651.30182	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	650.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79915	0.6
59.01249	74.5
60.01583	7.7
61.01675	5.7
61.98701	100.0
70.09520	2.7
73.02847	1.7
83.04897	6.7
84.05243	1.3
97.06479	1.2
101.05953	6.7
101.95757	0.7
102.06258	0.8
108.49835	0.7
117.77111	0.7
121.02844	0.9
149.24710	0.7
326.48264	0.7
388.28915	0.8
400.29556	1.0
458.33676	1.0
472.34927	1.2
484.35364	1.5
492.29535	0.8
531.36816	5.2
532.37201	25.8
532.44910	1.3
533.37842	2.3
542.38702	2.1
589.40906	2.4
590.41211	19.2
590.50439	1.3
591.42041	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	650.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63241	0.4
57.03323	1.0
59.01255	3.4
61.98703	100.0
67.01759	7.9
68.99690	2.1
69.03315	0.5
70.05291	2.1
83.01285	1.1
88.38512	0.5
98.19833	0.7
100.93021	0.4
101.05964	30.4
102.06333	1.0
105.46412	0.4
109.06477	1.1
111.00757	3.5
111.35889	0.4
112.01125	0.4
127.85450	0.5
127.97089	0.5
133.06509	0.5
141.00446	0.5
153.05411	0.5
170.57684	0.5
320.74625	0.5
345.16937	0.7
347.18796	2.9
371.18695	1.5
376.07050	0.6
389.19791	1.1
397.20099	1.3
415.21106	2.3
459.20285	4.0
460.21204	0.6
473.25214	0.6
499.27057	2.8
543.25970	39.2
543.69104	0.5
544.26410	5.2
587.25250	5.9
588.26001	0.7
590.27728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.2
57.03306	5.4
58.08008	1.4
58.15465	1.7
59.01248	62.3
60.01607	2.1
60.97398	6.2
61.98693	7.9
67.01768	3.2
68.99676	2.8
69.03310	2.0
69.30444	14.2
70.99485	4.5
71.01248	22.9
72.99171	3.8
73.01046	2.7
73.02810	8.2
74.99005	1.5
75.00745	2.8
83.01255	5.4
83.04878	3.9
84.97411	8.3
85.02822	17.4
86.98991	2.1
87.00757	3.9
88.98663	2.1
89.02302	7.2
93.03327	10.8
94.03625	1.6
95.01265	2.0
96.95874	7.6
99.00745	3.0
99.04356	1.8
101.00544	25.3
101.02328	9.0
103.03891	11.9
107.04913	3.3
108.02055	1.9
109.02831	4.2
111.00727	7.3
113.00578	2.0
113.02313	8.4
114.98515	3.7
115.03886	1.5
119.03443	2.1
119.04887	7.3
120.01124	23.4
121.02847	4.0
122.06021	2.4
123.04410	5.2
125.02371	3.2
128.03450	2.5
133.02802	1.9
134.03665	7.1
135.04417	3.2
135.08044	1.6
137.02356	13.9
137.05984	3.0
138.02756	2.9
139.03918	1.8
143.03374	2.7
145.02849	2.4
147.00723	1.4
147.04440	1.8
149.02353	4.2
149.05994	3.3
149.09601	1.9
151.00285	5.6
151.11195	35.7
152.01027	2.6
153.01808	2.3
160.01575	2.8
160.03946	2.8
161.02327	3.5
161.04402	3.2
163.03905	1.9
163.07579	2.5
164.04709	3.6
165.05487	2.9
167.28348	1.6
175.00262	2.4
175.03928	5.3
176.04659	5.0
176.25626	1.5
177.01907	1.9
178.02625	3.5
179.05444	3.1
190.02708	7.1
191.03473	2.0
191.07095	4.1
193.01443	1.6
193.05025	11.2
195.13866	2.5
205.05003	7.5
209.11716	3.8
223.06004	4.5
227.03203	1.5
235.06058	7.8
239.13007	3.3
259.20599	2.4
262.79175	1.8
265.09332	8.1
268.03815	2.0
269.04507	10.9
270.04871	2.3
271.06100	3.3
283.02515	1.5
285.04062	3.8
289.21780	1.8
315.01294	2.8
315.19708	3.8
330.03851	5.5
331.19199	3.9
333.20734	14.9
345.06076	4.2
377.19659	98.6
378.20010	9.5
385.18863	3.6
399.21777	2.1
415.19443	49.4
416.19794	6.2
419.20795	18.2
440.16492	2.0
441.13889	3.5
441.22379	2.0
442.25558	2.1
443.20743	3.4
446.21472	3.3
455.15063	3.5
457.21237	2.7
459.18918	2.2
475.21597	25.4
476.21976	2.8
484.27145	5.2
485.21997	12.8
485.28296	2.8
488.23184	3.2
507.11429	2.3
519.20557	100.0
520.20709	13.2
528.25952	49.0
529.20184	22.9
529.26941	4.6
530.21039	3.9
544.23541	3.2
549.12823	2.0
579.17365	1.8
588.23029	1.8
606.23700	42.7
607.24103	6.5
650.20667	3.1
650.40710	4.6
651.21838	14.4
665.95404	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	650.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33785	0.4
53.36051	0.5
53.58888	0.5
59.01243	1.0
59.98061	0.5
65.00202	0.6
69.60049	3.0
71.01257	1.5
73.02830	0.5
80.51880	0.4
83.01263	1.5
83.14748	0.4
85.02824	0.9
89.02334	0.7
93.03329	1.2
101.02325	0.8
107.01270	1.1
109.02846	0.6
113.02296	0.7
117.03357	1.6
119.04933	0.5
121.02800	0.7
123.04427	0.8
125.02293	0.6
132.68706	0.4
133.02852	0.6
134.02356	0.7
135.04367	2.1
137.02351	1.4
141.03415	0.6
143.04903	0.5
147.04359	0.8
150.03091	0.5
151.00226	2.2
151.03925	0.5
153.05453	0.7
159.04428	1.7
160.03932	0.8
161.02386	1.0
163.00276	0.7
163.03944	1.7
164.07047	0.5
167.03406	0.6
169.06464	0.5
171.04422	1.2
173.02386	0.5
175.02487	0.5
175.03909	0.7
176.03375	0.7
177.01784	0.7
177.04184	0.6
179.03415	1.6
181.04997	2.8
183.04456	2.9
185.06007	0.9
187.04001	0.7
189.01881	0.6
189.05525	0.6
191.03391	1.0
193.01343	0.7
193.04898	0.5
200.03592	0.5
203.03625	0.5
205.03752	1.9
206.08168	0.9
209.04433	0.7
211.03925	2.8
213.05397	0.8
227.03462	7.1
229.04922	1.0
239.03377	0.7
241.05060	0.5
243.02942	0.6
253.04980	0.6
255.02968	53.0
256.03760	0.8
257.04575	0.9
269.04340	1.0
281.04507	1.0
282.01697	0.6
283.02466	100.0
284.03281	7.5
285.04034	82.3
286.04184	0.5
297.03983	1.5
297.07657	1.6
298.04816	0.8
299.05655	0.7
307.05801	0.7
309.04141	0.8
311.05566	1.0
312.06351	0.7
313.06866	0.5
325.07193	0.8
326.55438	0.6
327.05075	5.2
330.92981	0.5
337.06940	0.5
339.04990	0.6
353.06647	3.1
363.32309	0.5
368.09952	7.0
369.06155	1.9
369.10431	0.5
381.05936	0.6
382.09518	0.8
383.07715	2.5
392.07617	1.5
399.07285	1.3
410.08704	2.9
412.10263	1.0
422.08762	1.1
429.08026	0.7
440.10052	3.0
441.09726	0.6
446.08533	19.8
447.09268	15.3
459.09457	0.6
470.10635	1.2
473.10803	1.5
488.14331	3.0
489.10330	29.3
503.11673	0.6
512.11761	1.6
530.13049	8.0
531.11627	2.9
542.12756	0.9
553.28241	0.5
560.13934	1.9
593.14960	5.1
594.15924	0.8
609.14044	1.2
632.15906	2.2
650.17120	23.3
651.15637	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46753	0.3
59.01247	4.0
61.98697	7.0
71.01260	1.5
71.01566	0.3
71.53122	0.4
73.02812	0.8
75.00754	0.5
83.01231	0.4
85.02812	0.5
89.02335	0.4
90.18343	0.3
96.32033	0.3
101.02322	0.5
103.23762	0.3
113.02325	0.4
113.19978	0.3
204.58789	0.3
216.00682	0.5
287.29895	0.3
370.05402	0.3
445.33191	100.0
446.33557	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42432	1.1
59.01245	40.0
60.76322	0.9
61.98691	2.2
71.52487	1.5
73.02805	3.7
78.95787	1.4
83.04396	1.7
83.04887	24.5
85.76204	1.1
97.06467	2.2
101.05952	20.5
152.95132	1.0
152.99477	1.4
354.59198	1.1
387.28983	2.2
399.28806	1.7
411.28864	1.5
417.30084	1.3
429.29959	1.8
457.33167	2.9
463.29855	1.2
471.34689	4.5
483.34808	5.1
495.34512	1.3
501.35687	4.2
513.36249	1.2
531.36841	100.0
532.37170	16.5
589.40973	14.8
590.41559	2.5
596.92871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.0
59.01247	100.0
60.01582	1.9
61.98693	5.6
67.01768	1.3
69.03326	2.0
69.55193	5.8
71.01248	11.1
72.99174	3.5
73.02813	2.9
83.01286	2.5
85.02814	6.4
85.06462	1.0
87.00738	1.5
89.02303	4.3
91.05406	1.7
91.22707	0.9
93.03354	1.6
95.01233	4.5
95.04911	1.2
96.95890	3.3
97.02837	1.8
97.14928	0.8
98.09398	0.8
98.20522	1.9
98.56759	0.7
99.00757	2.1
99.04384	1.0
99.05515	1.1
101.02316	7.1
101.05958	19.6
103.03911	0.9
105.01798	0.8
107.04896	2.2
108.02074	2.3
109.02824	2.4
109.06470	6.1
111.00767	3.2
113.02340	5.4
116.92742	0.9
118.98017	0.8
119.03416	1.0
119.04916	3.3
120.37418	0.8
121.02821	2.5
123.04399	1.9
123.07990	1.0
125.02299	1.1
133.06500	2.1
135.04420	1.3
137.02318	1.8
139.07526	1.7
149.02319	1.1
149.69395	0.7
151.00294	2.5
151.03905	1.3
152.01118	1.9
153.01752	1.2
153.05409	1.2
161.04422	1.7
163.03857	2.5
175.03792	0.9
189.05443	0.9
190.02650	1.3
195.13838	1.2
201.05605	1.1
203.10748	1.0
205.04887	2.0
239.12785	1.1
241.14388	5.1
265.09335	1.1
269.04611	2.0
271.06183	1.8
297.69571	0.8
306.07608	1.0
347.18787	0.9
359.18561	1.3
389.19891	1.2
393.19104	8.4
415.20959	1.5
425.19870	1.4
443.20731	8.0
445.22495	0.9
481.26010	1.2
487.19388	2.1
499.26593	1.1
515.26373	1.3
527.26459	9.2
528.26581	2.1
543.25806	5.6
545.27490	2.2
563.33643	1.0
571.25433	23.1
572.25867	4.6
579.17218	1.2
589.26086	8.1
590.27008	1.3
605.35620	3.8
649.37219	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	649.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.9
57.03318	1.2
59.01248	100.0
60.01558	1.1
61.98700	2.8
67.01776	1.1
68.99675	2.2
69.03318	1.6
69.70659	4.4
71.01246	3.2
72.99162	3.5
81.03349	0.8
85.02805	3.3
95.01269	4.1
95.04880	1.9
97.02805	1.2
99.00743	1.8
99.04357	0.8
101.05961	23.9
107.04911	1.4
109.06461	3.5
113.02335	1.1
116.17993	0.8
123.04424	1.0
125.05949	2.8
127.00240	1.0
139.07538	2.7
151.03911	1.1
153.05437	0.8
211.09669	1.7
347.18530	2.2
349.20261	1.0
377.77359	0.8
389.19507	2.6
393.19293	7.4
397.20197	2.4
411.14310	1.6
415.21112	1.9
425.19983	1.8
425.30579	8.4
431.20612	0.8
439.31982	1.2
443.20694	9.8
443.31168	5.4
444.21201	1.0
459.20078	2.7
473.25278	2.4
477.24893	1.5
481.25748	1.6
487.19351	2.1
487.30627	38.6
488.31073	4.2
499.26660	1.1
515.26129	1.4
527.26459	12.2
528.26703	1.6
543.25848	11.4
545.27478	2.0
571.25421	40.4
572.25934	6.8
589.26447	11.4
590.26318	1.4
649.35797	8.3
650.36176	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01592	1.5
61.98700	0.4
66.54407	0.4
67.01746	0.5
68.99688	1.1
69.03330	0.5
70.78323	1.6
71.01254	1.2
72.99197	2.3
77.31366	0.5
84.72425	0.5
85.02843	1.4
86.81635	0.4
87.04401	0.8
95.01288	0.8
96.87218	0.4
98.19916	0.5
101.05961	15.1
109.02832	0.6
113.02325	1.0
131.42374	0.4
138.97643	0.5
139.07643	1.1
154.49474	0.5
177.25449	0.5
267.02271	0.5
275.98526	0.5
291.20309	0.6
393.19104	3.2
409.14899	0.6
411.14557	2.6
443.20566	2.7
469.22574	1.1
473.25571	0.8
477.24805	1.2
488.77878	0.5
513.21680	1.4
515.26764	1.4
527.26385	4.8
528.26837	1.0
543.25989	6.3
544.26489	1.1
545.27789	1.3
571.25470	17.5
572.25928	3.1
589.26416	7.6
590.27301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.0
57.03304	2.4
58.00461	1.2
59.01250	48.0
61.98692	2.7
67.01762	0.9
69.03312	1.3
69.26767	6.9
71.01250	30.2
72.99171	1.8
73.02817	7.2
75.00721	1.9
83.01249	4.3
83.04900	1.0
84.69566	0.7
85.02821	11.4
87.00742	2.7
89.02318	17.4
93.03362	2.1
95.01250	2.8
96.95897	2.0
97.02829	1.2
98.20567	1.5
99.00735	1.5
101.02325	19.3
108.02040	1.5
109.02808	1.3
111.00745	2.5
113.02332	11.5
119.01251	2.5
119.03397	6.8
119.04895	5.8
121.02845	6.4
121.06445	0.9
125.02332	2.2
131.03397	1.1
134.03499	0.8
135.04437	1.9
137.02353	1.8
143.03433	1.7
147.00829	2.5
147.04420	2.3
148.01527	0.9
149.02342	31.0
150.03020	2.7
151.03835	1.2
151.06056	3.7
151.07483	0.9
152.01015	2.3
153.01878	1.8
160.13077	0.7
160.86356	0.8
161.04448	2.4
161.13298	1.7
163.03894	4.2
164.04701	20.6
165.01810	1.3
165.03926	1.6
165.05330	1.7
165.87663	0.7
175.00281	15.7
175.06078	1.2
176.01079	11.1
177.01793	2.5
179.07042	1.4
187.02348	1.0
187.11214	2.5
189.01837	1.2
189.12750	1.3
190.02644	39.4
191.03400	11.8
193.01422	1.0
195.06538	0.8
203.14302	0.9
205.05005	35.0
205.12260	3.2
206.05473	1.6
223.06053	20.8
224.06494	1.7
241.14561	1.3
255.02911	1.3
265.06940	1.3
265.09360	1.6
269.04520	2.3
283.02466	1.2
284.03253	1.9
291.10498	0.9
295.10428	3.7
299.05640	2.3
307.06024	1.1
307.70822	0.8
313.11450	12.0
349.53629	0.8
367.10068	1.0
379.84476	0.8
425.18256	1.6
443.19189	100.0
444.19589	9.2
457.66025	0.9
461.10718	1.1
501.23502	1.9
529.30371	1.2
531.15405	1.7
545.22485	3.2
605.25299	10.7
606.26239	1.9
617.22314	1.5
649.25073	61.3
650.25403	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	647.416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36148	0.3
56.88743	0.3
57.82896	0.3
59.01247	100.0
60.01579	1.2
61.54688	0.3
71.30068	0.4
73.02811	1.3
83.04881	1.9
87.04436	0.5
101.05963	2.0
120.41561	0.3
124.05209	0.4
135.25418	0.3
421.85956	0.3
423.07883	0.4
455.31573	0.5
457.33218	3.2
458.33795	0.4
469.33258	0.4
539.37476	5.1
539.45203	0.4
540.38068	0.7
557.38397	1.7
558.39209	0.3
587.39508	8.5
588.39862	1.5
654.50702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87075	0.3
59.01249	100.0
60.01595	0.7
69.81865	1.6
70.64774	0.3
73.02830	0.9
83.04905	1.2
91.66496	0.3
98.20454	0.5
101.05986	0.8
104.41418	0.3
129.40517	0.3
140.16191	0.3
246.15504	0.4
254.71771	0.3
339.81546	0.3
457.33261	2.5
458.33862	0.4
479.38687	0.3
539.37512	3.4
540.38300	0.8
557.38953	1.0
587.39539	6.9
587.48138	0.5
588.40057	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41978	0.6
55.01761	0.8
57.03300	0.8
57.27547	0.6
59.01247	100.0
60.01579	1.0
63.13416	0.6
65.13139	0.6
69.85262	3.0
71.01247	14.4
71.01617	1.0
72.99177	1.2
73.02812	4.3
82.95066	0.6
83.01281	1.8
85.02813	5.7
87.00756	0.7
89.02310	10.8
95.01273	1.5
96.55909	0.6
96.95885	0.7
98.20495	0.9
99.00764	1.8
101.02319	12.6
108.15002	0.6
113.02322	7.4
118.70154	0.7
119.03363	3.1
131.03342	0.7
155.28381	0.6
161.04443	5.6
179.05537	5.2
180.83282	0.7
191.05534	1.5
221.10251	23.7
222.10477	0.7
263.11310	14.6
264.11703	1.2
265.09262	1.0
307.10425	1.1
341.10855	17.8
342.11279	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.6
56.02573	1.0
57.03318	3.9
58.00467	3.0
59.01250	100.0
61.42625	1.3
61.98692	3.4
65.82183	1.1
68.11623	0.9
69.03310	1.3
69.19692	0.9
69.19986	11.2
71.01254	61.2
72.01581	1.2
72.99157	2.7
73.02816	15.4
75.00735	1.1
83.01261	6.7
85.02822	24.2
87.00743	3.8
89.02319	32.0
95.01262	6.0
96.95841	1.3
97.02825	2.7
99.00768	4.1
101.02325	33.4
102.02670	1.2
111.00744	2.3
113.02330	38.4
114.02670	1.3
119.03394	15.2
119.04876	2.1
121.02843	1.5
125.02338	2.1
131.03404	2.7
137.02281	1.0
143.03386	5.6
149.02359	1.4
159.02826	1.4
161.04454	12.9
165.05507	1.1
169.35794	1.2
179.05551	8.5
206.21515	1.1
223.06056	1.7
269.04449	2.4
285.04037	1.3
381.22534	1.7
399.23834	3.4
469.74017	1.1
543.28088	56.6
544.28455	7.7
561.29132	41.6
561.37006	1.0
562.29669	7.6
603.30115	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	647.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52328	0.3
52.97274	0.3
54.78337	0.3
59.01252	6.8
61.98698	2.3
66.66158	0.3
69.98499	1.4
71.01254	1.7
73.02792	0.8
78.54473	0.3
85.02797	0.4
92.04904	0.6
96.29077	0.3
101.02302	0.7
113.02290	0.4
143.03387	0.4
148.03920	1.4
216.31964	0.3
243.26680	0.3
302.03400	0.3
304.66895	0.3
311.67630	0.3
399.14996	0.4
413.30573	83.2
414.30920	9.4
427.32306	0.4
443.31622	100.0
444.31973	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	647.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38034	0.4
53.28655	0.4
53.49791	0.4
57.03312	2.0
58.00447	0.8
59.01249	23.4
61.98698	0.5
65.40684	0.3
66.90125	0.4
67.35221	0.4
69.03298	0.6
71.01251	15.0
71.04872	0.4
71.52972	0.6
72.99180	1.2
73.02807	1.1
80.68388	0.4
83.01257	2.4
85.02818	13.9
87.00768	1.1
89.02319	12.3
91.01781	0.8
92.07755	0.4
93.03321	2.1
95.01245	1.5
96.95836	0.5
97.02814	0.5
99.00780	0.5
99.04332	0.4
101.02315	9.6
101.06025	0.4
103.00275	0.5
103.03886	27.7
104.04224	0.5
113.02330	6.7
117.05418	0.4
119.03394	5.6
119.04937	0.4
121.02837	1.5
125.02315	1.3
127.00264	0.5
127.03903	2.2
131.03389	0.6
137.02324	1.8
143.03403	1.1
145.04985	1.1
149.02312	0.7
151.03908	9.6
152.04379	0.6
157.04955	0.9
161.04463	1.1
179.05589	0.8
187.02502	0.4
191.07109	0.4
205.05005	0.6
241.04819	0.5
247.08209	1.2
265.09277	100.0
266.09634	4.0
269.04602	0.5
271.09872	0.6
289.09338	2.6
292.13507	0.4
333.08261	22.4
334.08649	1.4
357.08438	2.0
358.08905	0.5
367.10388	0.5
387.09552	0.6
409.57758	0.4
417.10446	0.6
495.13641	1.2
647.17706	7.6
648.18347	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.6
55.40234	1.6
57.03304	2.9
59.01248	100.0
60.01604	1.5
61.98703	15.7
70.16756	1.5
71.01251	28.0
71.52515	2.9
72.99194	2.2
73.02831	10.0
75.00745	2.6
80.96375	3.9
83.01252	7.1
85.02819	17.3
87.00766	4.9
89.02312	7.8
93.03329	3.2
94.96619	1.9
95.01257	4.5
96.95890	2.5
97.02823	3.1
99.00751	5.6
101.02309	21.2
107.04943	2.4
108.02032	2.1
109.02848	2.3
111.00749	6.4
113.02348	14.6
119.03409	2.5
119.04913	14.1
121.02848	6.7
125.02345	5.4
125.09606	1.8
131.03438	2.2
137.02379	2.3
149.02333	2.8
151.00272	4.1
159.02956	1.6
159.08121	1.7
161.04434	4.5
163.03909	11.8
164.04607	2.0
169.01288	4.1
171.10271	2.2
197.11729	1.9
199.09709	2.6
205.05070	2.6
209.11772	5.5
218.05713	1.9
227.17505	1.8
244.19745	1.7
269.04480	5.6
344.05084	1.9
404.60150	2.0
451.27029	18.8
452.26953	2.6
469.28085	27.7
470.28149	3.6
481.27808	2.4
493.28033	19.1
505.27319	2.6
511.29095	64.2
512.29626	9.1
523.29144	5.3
542.11145	2.0
639.85828	2.0
645.23871	6.5
646.27753	2.2
646.39282	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	645.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56916	0.2
59.01225	0.4
61.44487	0.2
61.98693	1.2
64.65643	0.2
71.23429	0.3
78.95776	0.2
97.50635	0.2
130.04132	0.2
132.02087	0.4
133.02809	0.5
134.03593	0.6
145.02850	1.9
146.03546	0.4
161.02336	3.2
162.02637	0.3
165.67198	0.2
173.02385	1.0
174.03122	9.7
175.03894	4.0
175.07581	0.3
176.04231	0.3
178.02603	0.4
183.08086	0.6
186.06860	0.3
199.07536	0.9
201.09119	1.5
206.02135	6.8
207.02530	0.3
212.04842	0.2
227.07074	5.7
228.07397	0.4
245.08147	100.0
246.08479	6.9
271.16971	0.3
315.16052	0.6
324.95953	0.2
645.30939	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.2
57.03319	2.0
58.00474	0.6
59.01249	100.0
60.01585	1.2
61.98701	0.9
68.99689	0.2
69.03332	1.1
69.69790	1.4
71.01252	27.1
72.01598	0.4
72.99178	1.6
73.02818	6.6
75.00757	0.6
81.03335	0.4
83.01257	4.1
84.02065	0.3
85.02821	13.0
85.99973	0.6
87.00740	2.3
89.02314	8.5
93.03346	0.8
95.01260	3.6
96.95898	0.8
97.02823	2.3
99.00755	2.7
99.04358	0.3
101.02321	14.5
102.02663	0.3
103.03901	0.4
107.04887	0.2
108.02053	0.5
109.02849	0.9
111.00777	1.4
112.01580	0.8
113.02328	19.4
114.02674	0.4
115.03905	0.5
119.03384	3.2
119.04926	0.9
121.02864	1.0
121.58586	0.2
123.00784	0.5
123.04403	0.3
123.08037	0.2
124.01552	3.3
125.02339	5.5
126.02676	0.2
129.01834	0.7
131.03398	0.7
132.04517	0.3
134.03610	0.2
135.04385	0.4
137.02330	0.9
137.05988	0.3
139.00229	0.3
141.01790	0.3
142.02626	0.5
143.03389	4.5
149.02303	0.4
149.04457	0.3
150.03044	0.3
151.00256	0.4
151.03889	0.3
153.01796	0.6
155.03514	0.2
159.02917	0.8
161.04454	4.6
163.03946	0.7
164.04655	0.3
165.05444	0.2
167.92520	0.2
174.05484	2.3
174.06746	0.3
175.00317	0.2
175.03867	0.3
179.05629	1.2
179.06947	0.3
190.02679	0.9
195.13846	1.0
201.11201	0.3
205.04996	0.8
209.11746	0.5
216.00635	1.1
223.06149	0.6
227.12845	0.3
237.18611	0.3
239.12778	0.3
241.14394	4.6
252.49263	0.3
255.02985	0.3
265.09314	0.9
265.14456	0.8
269.04559	0.8
271.05984	0.4
284.03177	0.4
285.04178	0.5
319.08237	0.6
323.09302	0.3
365.85486	0.3
369.28421	0.2
381.22852	2.4
382.23026	0.4
399.24088	1.9
423.23584	0.4
433.70477	0.3
441.25311	0.4
451.23325	0.5
465.24945	0.3
477.25357	0.2
479.26529	0.5
483.21542	0.3
489.24823	1.1
507.26120	1.1
508.26395	0.4
525.27020	13.2
526.27368	2.0
543.28082	47.6
544.28485	7.0
561.29150	15.6
562.29663	2.0
585.29169	4.3
586.29425	0.6
593.15363	0.4
603.30243	7.2
604.30719	1.3
609.25854	0.5
639.47083	0.3
645.24219	1.1
645.38300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.0
60.99173	15.5
61.98695	2.6
63.26707	0.7
68.39104	0.7
70.56506	0.7
71.52373	1.1
77.81500	0.7
87.00760	4.6
88.00275	10.3
88.98676	100.0
89.02314	55.0
89.99016	1.1
90.02635	1.1
105.11493	0.6
106.85087	0.7
147.83775	0.7
159.60158	0.8
198.09273	0.9
209.11731	0.8
229.08548	1.2
245.08183	0.8
345.03937	1.8
361.03668	1.5
389.02789	3.4
460.07730	5.3
461.08731	0.9
487.10312	2.6
543.16669	3.2
545.14294	1.8
572.16833	1.6
587.19153	2.9
627.29242	0.8
645.23468	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	645.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72910	0.9
54.73184	0.9
59.01253	9.3
60.99173	16.1
61.98688	4.1
65.74569	0.9
87.00764	5.1
88.00275	15.5
88.19961	0.9
88.98672	100.0
89.02310	68.5
98.20428	4.3
188.31444	1.0
199.09650	1.0
209.11726	1.4
294.38913	1.2
371.99435	1.0
401.02808	1.2
645.22211	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85348	0.2
57.03318	0.9
59.01251	0.6
61.98684	0.2
81.03339	0.2
83.04896	2.8
87.04382	7.3
87.04893	0.4
89.03841	0.3
91.05391	0.3
101.05975	0.3
102.32458	0.2
108.02068	0.3
115.05420	0.3
117.03389	1.0
121.02859	0.3
123.04409	0.5
130.04182	0.8
131.04886	0.5
132.02068	2.2
133.02844	6.2
134.03636	3.5
134.88776	0.2
135.00801	0.3
135.04384	0.6
137.05928	0.2
145.02852	3.1
145.06516	0.6
146.03506	0.4
147.04480	1.0
149.02385	0.6
153.01797	0.3
156.05664	1.0
157.06512	1.0
159.04391	1.3
161.02347	100.0
162.02699	3.7
163.07538	0.3
168.88875	0.2
173.02336	1.7
173.06015	2.5
174.03142	6.3
174.06262	0.2
175.03915	21.4
176.04262	1.0
178.02681	0.8
183.04347	0.2
183.08058	0.7
185.06041	0.3
187.03943	3.4
187.07600	0.6
199.07550	0.4
201.05501	32.3
201.09344	0.7
202.05838	1.7
203.03447	2.1
203.07079	0.8
206.02129	4.1
212.04807	0.3
227.07074	5.4
228.07483	0.4
229.08626	1.4
241.08691	0.3
245.08148	23.0
246.08414	1.5
259.09711	1.6
261.07703	0.6
262.08432	1.0
263.09207	5.0
264.09680	0.2
271.16998	3.1
285.15021	0.3
297.15027	1.1
303.16016	0.3
315.15891	1.7
341.17325	0.2
347.14929	1.0
399.21664	2.9
400.22064	0.3
437.33255	0.2
442.30362	0.2
509.11066	0.2
509.18213	0.8
645.30566	19.3
646.30896	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	643.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59195	13.9
58.05661	14.7
59.01249	80.9
61.98701	100.0
70.90920	29.3
78.91752	18.9
78.95782	15.9
84.50690	16.2
119.64896	14.3
128.23328	14.9
138.72615	17.3
305.13904	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	643.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72309	17.6
59.01244	64.3
61.98685	78.4
76.55573	19.1
90.25261	19.9
98.19865	58.9
98.20551	54.2
139.07507	100.0
140.76006	18.5
175.03941	19.7
195.97890	21.5
200.64575	22.5
245.08147	77.6
293.21204	57.5
362.31381	20.3
362.36499	21.4
495.44312	21.3
643.41925	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	643.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78475	0.7
57.03316	1.6
59.01250	4.3
61.98690	2.3
69.64717	1.3
69.65128	3.7
73.02796	0.6
94.18446	0.7
97.02828	0.8
98.19950	1.9
113.09599	8.1
121.10104	5.3
125.09667	0.9
139.11198	1.3
153.29539	0.7
158.91594	0.6
163.27582	0.6
165.82794	0.7
167.10614	0.9
171.10165	17.3
172.10434	1.0
179.10567	0.8
183.10159	0.8
185.11708	1.0
187.60374	0.7
195.13853	1.4
196.98157	0.7
199.89616	0.8
201.05466	1.2
231.21126	1.4
245.08057	1.2
249.22194	1.3
275.20135	25.3
276.20432	2.4
293.21204	100.0
294.21548	9.6
295.13333	2.0
313.21643	0.9
331.22714	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25933	0.3
57.03292	0.6
59.01248	4.3
59.97066	0.3
61.98699	32.5
61.99002	1.5
63.99095	0.6
66.00797	1.0
67.01718	0.5
70.72488	0.3
70.72828	0.7
71.01254	2.7
72.99177	5.1
73.02771	0.8
79.95554	0.5
80.96350	0.6
81.03288	0.4
83.01251	0.7
85.02780	1.3
87.00717	0.8
89.02271	1.4
93.03296	1.2
95.01239	0.6
95.95062	0.6
96.95827	1.5
99.00749	0.4
101.02303	1.9
103.03828	0.4
106.04147	0.3
108.02038	2.8
109.02845	2.2
111.00713	1.4
113.02290	0.9
119.03356	0.9
119.04816	0.5
121.02837	1.7
122.03593	1.1
123.04366	1.9
129.01759	0.4
133.88388	0.3
134.03555	1.2
135.04408	8.8
136.05112	1.5
137.02295	1.3
139.00209	0.4
140.00951	0.3
143.03384	0.4
147.04369	1.2
148.05188	1.6
149.02376	0.7
149.05959	0.5
151.00215	0.9
151.03836	0.6
152.01039	2.6
153.01775	1.6
161.02257	0.4
161.04408	0.6
161.45822	0.4
162.03117	0.6
163.03876	0.5
166.02628	1.6
169.01300	0.5
173.05901	2.5
174.06735	0.8
175.07480	1.0
176.01048	1.2
177.01775	0.7
178.02530	0.6
179.03273	0.4
187.07581	3.1
188.08240	1.2
189.08890	0.6
191.03409	2.2
193.04898	0.6
195.13879	0.4
206.02083	0.5
213.09245	0.4
229.15817	0.6
241.14297	0.4
245.15446	5.2
246.15776	0.5
255.13728	1.0
257.15427	100.0
258.13156	0.6
258.15775	7.9
259.16995	0.4
269.04431	0.7
270.04800	0.3
273.14908	1.5
275.16501	16.2
276.16928	1.5
277.14496	0.7
299.16568	0.4
301.14383	3.8
306.07425	0.4
319.15482	1.5
320.15878	0.3
343.15454	0.6
407.20663	0.7
419.20929	2.8
437.21741	11.2
438.22098	1.5
463.19763	0.8
481.20749	17.3
482.21167	2.6
519.11768	0.4
580.16833	0.7
607.16638	0.8
643.25842	18.4
644.26208	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	643.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27300	0.7
59.01237	2.3
61.98683	3.3
70.16779	3.3
73.02831	1.7
81.97986	0.7
85.64023	0.7
98.20299	1.8
159.49600	0.8
226.58018	0.8
236.06825	0.7
247.63928	0.7
250.48259	0.7
276.69385	0.8
284.42557	0.8
453.11618	1.3
455.17078	1.0
459.16656	1.0
466.16318	1.1
473.18671	1.9
479.17374	1.1
480.18222	1.3
481.11325	1.6
481.18344	1.2
495.16959	1.6
496.13254	5.8
497.14957	3.3
507.16623	2.4
508.17426	3.9
510.15222	5.2
511.15820	12.3
512.16486	2.8
513.17780	2.3
523.20197	3.6
538.15070	2.8
539.15674	1.8
540.16638	1.9
544.16888	4.2
552.17584	0.8
553.17169	1.9
567.18738	1.8
570.17554	2.1
571.17914	5.6
572.19141	1.8
583.18188	2.6
616.18121	1.1
643.20416	100.0
644.20642	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	643.2429
Annotation	Cineracipadesin F
Peak:m/z	Relative Intensity
51.79548	0.4
57.03310	0.6
59.01249	5.3
63.54267	0.5
71.39433	0.9
79.95605	12.2
80.90845	0.4
85.02857	0.4
87.00745	3.2
95.95103	19.2
96.95885	85.4
136.99026	2.3
143.82025	0.5
195.03232	0.9
315.12613	2.7
316.53772	0.5
327.12534	0.6
341.14224	1.9
379.15305	0.6
381.17181	0.6
393.17294	2.5
394.17368	0.6
399.25314	0.8
405.17334	1.4
409.20352	0.9
419.19037	2.4
420.19498	0.5
421.16983	0.7
435.22192	2.1
437.16129	1.0
443.24313	1.1
449.16278	0.9
451.21533	2.5
453.19485	0.6
477.28253	0.5
479.21158	4.6
480.21219	0.6
495.20108	1.0
495.25024	0.7
505.18985	0.5
511.23611	5.9
512.23523	0.8
523.19836	1.0
539.23230	5.0
540.23749	0.9
541.21313	0.6
555.22552	12.4
556.23175	2.1
557.24139	0.5
583.22034	4.9
584.22284	1.1
599.24817	0.7
601.23187	15.7
602.23578	2.2
615.24664	2.8
616.25024	0.6
643.24219	100.0
644.24597	20.0
648.48975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	3.5
59.01256	20.6
61.98697	7.3
65.00180	4.3
67.01752	3.0
68.99665	4.4
69.03297	3.5
71.01256	14.8
73.02827	4.4
75.00734	3.3
76.49963	2.5
79.01727	3.8
79.78195	2.7
81.03309	11.8
83.01263	16.1
85.02815	8.6
87.00745	3.3
89.02338	4.5
90.13419	2.7
92.99623	2.9
93.03323	19.2
95.01270	7.3
95.04899	6.5
97.02819	12.1
97.84743	3.1
97.94604	2.6
98.19705	5.9
99.00726	7.5
99.04367	3.3
101.02303	7.8
105.03347	4.0
107.01237	8.2
107.04905	6.2
108.02055	4.2
109.02844	18.8
109.61496	3.1
111.00725	10.1
111.04372	9.1
113.02349	3.7
114.30860	2.8
117.03304	10.5
119.04889	8.1
121.02850	22.1
123.00723	8.5
123.04420	36.2
125.02343	44.5
127.00289	3.6
128.03395	4.3
131.04935	4.0
133.02812	10.4
135.04422	18.2
137.02347	29.7
137.05974	6.1
138.03079	4.1
139.03860	12.4
139.49570	3.2
140.43314	2.8
141.01743	4.5
145.02785	4.6
147.04350	11.8
149.02321	17.5
149.06042	3.9
150.03081	4.9
151.00240	10.4
151.03896	21.8
151.07593	3.5
153.01843	20.4
153.05553	4.2
155.03456	4.2
159.04391	4.0
161.02318	12.3
163.00299	7.8
163.03941	17.2
163.07530	4.6
164.01038	3.1
165.01884	20.6
165.05438	6.3
166.02533	7.2
167.03416	30.5
175.03879	13.4
176.01064	4.4
177.01843	30.9
177.05440	6.7
178.02528	3.8
178.99722	3.0
179.03406	32.2
180.04144	12.8
181.01288	7.6
181.04872	4.4
182.02075	3.7
183.02869	10.2
185.43893	2.9
187.03862	3.8
189.01845	10.5
189.05470	4.0
190.02592	6.2
191.03404	29.0
192.03944	3.8
193.01428	20.8
193.04967	3.6
195.02922	28.3
196.99397	9.5
197.04446	6.9
201.01794	5.5
201.05467	3.0
203.03369	10.7
205.01393	18.2
205.04987	10.7
206.01843	3.0
206.08104	4.4
207.02959	33.1
207.06644	3.1
208.03613	5.4
209.04465	66.3
210.05005	4.1
217.01396	5.9
218.99419	3.4
219.02908	42.2
220.03452	6.3
221.00876	15.1
221.04460	9.4
223.02419	19.1
225.03938	12.3
227.03439	4.6
229.04930	4.6
231.02792	4.7
233.00894	7.1
233.04453	7.3
235.00360	3.0
235.02460	32.5
237.03836	15.1
239.05455	21.5
241.04988	4.9
243.06451	5.0
245.04413	5.1
247.02422	11.4
248.03212	3.1
249.04004	23.7
251.01796	11.6
251.05606	4.8
253.03439	9.7
255.06758	3.8
257.04541	3.6
257.08136	3.5
261.04016	8.3
263.01959	7.1
265.03491	23.0
266.04034	4.5
267.04993	9.3
269.04364	3.9
269.06863	6.0
270.05139	4.8
271.06085	5.2
277.03470	10.8
279.05035	11.9
283.05878	4.6
285.07593	4.0
287.05298	4.3
293.03046	4.8
295.04605	10.6
296.06656	3.8
297.04190	3.8
297.07553	23.1
298.04852	5.7
301.06952	5.1
303.07358	16.4
306.07486	8.1
311.05539	9.0
312.06284	3.8
313.06958	7.7
315.04935	6.0
323.05359	3.4
325.06934	5.9
326.07300	3.3
327.04950	6.4
329.08701	11.4
337.06912	3.5
339.04700	5.2
341.06573	20.8
343.07153	8.7
353.06635	38.0
354.06976	4.5
355.07031	5.3
357.06107	10.4
367.07031	4.9
369.05984	14.8
371.07492	12.8
373.05515	4.2
383.07605	24.9
385.05295	21.8
386.06363	5.0
387.07089	9.1
389.08472	4.0
399.07166	6.6
401.08835	4.0
403.06555	9.1
404.07187	3.5
415.06711	13.9
433.07516	4.9
445.07324	4.1
449.12531	15.8
459.09796	7.2
461.10791	12.4
462.11224	3.3
465.11642	4.0
473.10712	17.1
475.08984	5.7
477.10345	8.4
481.11691	4.2
487.10809	34.3
488.10941	6.3
489.10431	12.5
493.09778	21.9
503.11368	5.4
505.10034	53.4
506.11206	28.9
507.11417	4.0
517.09668	4.6
518.10742	3.9
519.11542	4.1
523.10840	21.4
535.10724	6.9
569.15033	5.7
582.16119	5.6
593.15076	83.9
594.15369	12.6
608.13660	11.6
609.14575	35.2
610.14532	5.0
625.13855	14.5
626.14691	18.6
627.15027	5.0
643.15009	100.0
643.31219	4.4
644.15509	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	642.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22633	0.1
59.01237	0.2
61.98699	100.0
62.98398	0.2
65.00214	0.1
73.02827	0.1
85.02838	0.1
89.32375	0.1
93.03336	0.1
98.20645	0.2
103.25735	0.1
111.00768	0.3
116.66271	0.1
119.04910	0.3
143.03423	0.2
151.00238	0.5
160.27629	0.1
229.73822	0.2
239.10745	0.1
271.06152	0.3
293.01019	0.1
305.23038	0.1
307.96887	0.1
311.91052	0.1
327.08871	0.3
328.09268	0.1
332.39914	0.1
431.90182	0.1
513.47266	0.1
525.93127	0.1
579.17108	0.8
580.17883	0.2
643.07233	0.1
643.28198	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	642.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.3
57.59611	0.3
58.00467	0.4
59.01250	12.3
61.98698	1.6
69.03316	0.3
69.62991	1.8
71.01250	5.3
72.99180	0.8
73.02812	1.7
80.96355	0.4
83.01231	0.8
85.02808	1.8
87.00751	2.2
89.02324	1.8
89.02811	0.3
93.03311	0.6
94.31030	0.3
95.01275	0.5
97.02808	0.7
99.00751	1.5
101.02336	2.5
106.04109	1.7
107.04919	0.4
108.02061	0.4
111.00752	0.3
111.04450	0.3
113.02306	1.9
118.97990	0.3
119.03381	0.7
119.04893	0.4
121.02833	0.6
123.04477	0.5
124.01495	0.7
125.02325	1.5
128.85841	0.3
134.03613	1.4
137.02312	0.4
138.03125	0.5
138.79198	0.3
147.04443	0.3
150.03108	0.4
153.01927	0.4
159.08060	1.0
161.04558	0.4
166.02505	0.4
167.03447	0.4
173.09613	0.6
175.11153	1.8
187.07549	0.8
187.11189	2.5
201.09166	0.4
205.12282	5.9
209.04523	0.4
229.12259	0.4
231.10193	1.1
233.11790	3.3
247.13332	0.7
249.11241	1.9
259.13379	0.4
261.11349	0.5
275.12881	0.4
291.12357	0.4
331.15372	0.6
349.16455	3.3
367.17596	5.5
375.14456	1.0
377.16141	0.7
383.08627	0.3
391.17542	1.3
393.15524	4.1
394.15738	0.5
402.09045	0.5
402.15442	0.4
409.18625	0.7
411.16595	1.2
420.16577	4.8
421.16974	0.3
435.10605	0.6
435.16577	10.9
436.16965	1.2
438.17636	4.6
439.18069	0.7
453.17642	1.0
462.17691	17.2
463.18045	1.5
480.18726	100.0
481.19049	13.1
522.13312	0.4
642.16785	0.7
643.26605	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	642.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.2
60.43221	0.1
61.98701	100.0
62.98405	0.2
69.28602	0.4
69.29028	0.6
71.01253	0.1
79.86517	0.1
93.03336	0.1
101.02339	0.1
107.01273	0.1
111.00744	0.2
119.04938	0.2
143.03511	0.1
151.00229	0.5
181.24658	0.1
185.75337	0.1
257.15533	0.3
270.04584	0.1
271.06247	0.2
327.08878	0.1
579.17139	0.9
580.18372	0.2
643.25122	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	640.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.9
61.98700	100.0
62.40932	0.1
64.50233	0.1
71.01259	0.4
71.09863	0.4
72.99203	0.3
73.02818	0.3
75.90972	0.1
80.31290	0.1
83.01221	0.2
85.02817	0.2
87.00687	0.2
89.02313	0.2
93.03333	0.2
107.01273	0.3
108.86052	0.1
111.00768	0.6
117.03382	0.2
119.04932	0.5
125.02319	0.2
133.19748	0.1
140.39459	0.2
142.62172	0.2
143.03436	0.3
149.02365	0.2
151.00323	0.6
159.04440	0.3
163.03920	0.3
169.01364	0.6
203.87149	0.1
225.05606	0.2
239.10771	0.2
265.09286	0.2
268.03745	3.4
269.04535	16.4
270.04871	1.9
283.09662	0.2
327.08813	1.0
483.85052	0.2
577.15564	12.3
578.16071	1.9
640.18542	0.2
641.26190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.5
59.01251	32.2
60.01579	1.3
61.98695	4.9
69.03315	0.9
71.01253	7.9
71.52547	1.1
72.99180	2.3
73.02824	2.1
75.00741	0.7
79.95593	1.7
80.96386	4.6
83.01264	2.6
83.04881	0.8
85.02836	2.9
87.00742	1.2
87.04395	0.6
89.02310	1.6
93.03308	0.7
95.01313	0.5
95.04890	0.6
96.95889	2.2
99.00745	4.1
100.01559	0.6
101.02331	3.9
107.04952	0.7
108.02065	0.6
111.00758	1.2
111.08070	1.0
113.02328	3.0
113.05962	0.5
113.99477	14.7
114.42198	0.6
115.00288	0.9
119.03375	0.8
119.04899	1.8
121.02845	1.7
122.97485	0.6
123.04405	0.6
125.02243	1.2
129.01840	0.9
130.93631	0.5
137.02309	0.6
143.03383	0.6
148.99120	1.0
149.02299	0.9
151.00272	1.1
152.01001	0.7
156.00536	9.5
161.02280	0.7
161.04437	1.1
164.98555	0.9
165.05363	0.8
174.01611	100.0
175.02078	3.4
179.03441	0.8
191.03392	0.6
197.04491	0.5
205.05035	0.7
209.11769	0.5
223.05930	0.5
225.00746	1.5
227.12839	1.4
245.15329	0.6
269.04581	1.3
273.15057	0.5
288.95111	0.6
289.14606	0.6
317.13870	0.6
340.58896	0.6
402.27054	0.6
405.29193	0.8
450.29834	0.7
479.23315	4.0
491.30115	8.2
492.30496	19.9
493.30777	27.8
494.31131	1.4
497.23828	2.0
519.22107	2.9
536.29681	1.6
537.22961	4.0
537.30267	3.1
597.32025	2.3
641.28656	9.2
642.28302	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72955	0.8
55.01728	1.5
57.03307	3.2
58.00456	1.9
59.01248	38.8
61.98697	12.8
65.03819	2.1
69.77634	1.5
69.78036	4.5
71.00842	1.6
71.01244	29.5
72.99167	3.8
73.02817	6.9
81.03323	1.6
83.01263	4.3
83.04887	10.1
85.02816	8.2
85.06444	2.2
85.99957	1.1
87.00743	11.8
87.04392	1.4
89.02314	11.8
91.03873	1.1
91.05406	1.8
93.03320	2.0
95.01236	3.4
95.04889	2.2
97.02842	1.8
97.06452	5.9
99.00757	2.0
101.02319	17.5
103.03858	1.2
105.06975	1.0
107.04896	2.4
107.08534	0.9
109.06456	4.3
111.00697	1.5
111.04417	1.7
111.08047	6.6
113.02322	11.3
119.03364	3.1
119.04891	2.4
121.02821	1.2
123.08011	2.5
125.02331	2.4
125.09607	15.0
133.04926	2.0
135.08047	2.2
137.09573	3.4
143.03352	1.5
145.04979	5.9
151.11221	1.5
152.99565	0.9
153.09105	1.3
159.07924	0.9
161.04530	4.9
161.05791	1.4
163.07545	1.1
163.11133	1.4
171.10172	80.1
172.10489	3.8
177.12769	0.9
179.05511	1.6
183.13863	1.4
185.11705	1.2
187.14870	2.5
189.16393	1.5
197.13380	1.3
201.12708	1.4
203.14462	1.3
205.15904	6.3
207.13785	2.3
209.11755	15.8
211.11259	1.2
211.13310	19.0
215.14368	11.6
219.10043	0.9
221.15363	2.8
229.16008	1.2
231.13873	5.9
233.15408	40.4
234.15738	3.4
235.08212	12.4
235.13255	1.8
237.14856	1.7
239.16418	1.6
247.13225	1.1
247.16913	1.5
249.14917	42.3
250.15327	3.9
251.16403	2.0
253.09265	6.4
263.16721	1.1
268.03726	1.0
269.04529	1.4
272.50156	0.8
273.14932	1.6
283.19318	1.6
288.96933	0.9
291.15839	1.2
309.20871	1.2
313.25256	1.5
323.23663	1.2
331.26343	2.1
339.23102	1.5
341.24896	6.9
349.21735	1.0
357.24124	1.5
359.25986	2.4
367.22629	5.5
368.23032	1.0
375.25369	6.0
377.27054	1.9
385.23831	33.9
386.24057	4.3
393.26334	2.5
403.24850	59.7
404.25031	6.6
407.19089	2.9
417.25632	0.9
421.25912	19.2
422.26254	1.4
459.27499	1.3
467.22980	1.1
485.23923	3.8
495.29575	1.7
541.06525	1.0
542.23309	1.0
611.34442	4.4
621.32739	100.0
622.33051	20.1
639.33807	71.4
640.24280	1.8
640.34058	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	639.232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	3.2
58.62024	0.6
59.01249	24.8
59.76274	0.7
61.98702	20.4
63.02272	1.1
65.00176	1.5
68.93874	0.8
71.01253	10.6
71.77999	0.7
72.99163	1.0
73.02807	3.7
75.00747	1.3
81.03322	2.3
83.01251	4.2
83.04898	1.0
85.02821	6.1
87.00736	1.6
88.98660	2.4
89.02314	4.9
93.03331	2.5
93.58825	0.7
95.01254	1.5
95.04914	1.1
96.95870	2.1
97.02830	1.3
98.19862	2.5
99.92456	1.1
101.02310	5.7
102.07206	0.9
103.03913	0.9
107.01250	2.2
107.04864	1.8
108.02049	1.9
109.02814	1.6
111.00766	1.9
113.02332	5.2
115.91959	1.1
116.92753	4.1
117.03348	2.0
119.03370	2.2
119.04900	4.4
120.99636	0.8
121.02837	19.8
121.06433	1.5
123.04409	26.6
125.02312	5.3
135.04379	1.4
137.02332	2.3
137.05896	1.2
137.09621	1.2
145.02809	1.5
147.04413	1.1
149.02339	6.5
149.05879	0.9
149.09639	1.1
151.00304	5.3
151.03891	1.2
152.01074	1.2
160.03882	2.9
161.04410	2.5
162.15126	0.9
163.03867	3.2
164.04674	3.3
165.05418	0.9
167.03409	100.0
168.03732	3.5
171.10100	0.9
175.00267	4.8
175.03885	1.5
179.03426	1.1
181.04936	2.5
190.02664	12.6
191.01730	1.6
191.03424	28.8
192.03706	1.4
193.01323	2.9
193.04964	1.3
195.06589	1.1
195.13805	6.4
205.05000	10.2
205.12268	1.2
206.01938	0.8
206.05585	1.3
207.02844	1.0
209.04477	7.1
209.11678	0.9
211.13342	0.9
221.04535	2.0
223.06042	7.0
225.39325	0.8
233.04630	0.9
235.02397	2.7
241.14426	20.6
265.07062	2.0
265.09531	1.1
265.14432	16.8
266.14902	1.7
269.04535	19.5
270.04868	15.6
271.05154	12.0
272.05847	1.2
285.04071	2.2
325.09067	1.2
329.08771	12.8
371.09769	14.1
372.10037	1.5
383.27667	1.0
397.07745	38.9
398.08228	3.7
415.08624	6.0
491.29959	1.3
514.09076	0.9
579.32300	1.3
638.38293	1.0
639.16876	2.2
639.30286	11.1
640.31177	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	639.2458
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
57.39967	1.2
59.01245	8.8
60.54953	1.0
61.98703	12.5
71.32468	1.2
71.32801	1.2
108.04399	1.5
109.02881	1.0
110.34924	1.0
117.03358	1.2
121.02917	1.3
121.88553	1.3
123.83907	1.1
134.02411	1.5
134.06010	1.0
136.03931	8.4
179.20261	1.2
213.10269	4.0
265.09656	1.1
281.09293	1.3
299.13974	1.7
313.32013	1.4
317.61139	1.3
339.10004	1.5
340.10651	1.2
384.13541	1.3
419.11609	1.5
426.34583	1.3
433.12888	1.4
434.14075	2.1
435.14575	2.1
449.16272	3.0
462.13425	1.6
463.14258	4.7
477.15759	11.2
478.15817	2.4
491.17810	1.8
492.18466	1.9
493.18771	14.3
494.19534	2.5
505.15216	19.9
506.15601	3.5
519.16614	2.9
520.17236	4.1
521.18140	1.5
537.17798	3.1
552.20178	30.5
553.20660	8.3
607.21912	5.7
639.24591	100.0
639.41241	2.7
640.25098	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	639.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.6
57.58493	0.3
59.01249	28.8
60.01572	0.4
61.98682	0.6
63.93103	0.3
69.03316	0.9
69.52290	0.4
71.01237	1.2
72.99175	0.8
73.02802	0.5
75.00741	0.3
83.04874	0.8
85.02811	0.8
87.00735	0.7
87.04385	1.8
95.04897	1.4
98.20554	0.8
101.02306	0.5
101.25999	0.3
111.08043	1.5
113.02304	0.5
113.05973	1.0
113.39268	0.3
121.02828	1.3
134.08931	0.3
149.02290	0.3
160.03951	2.2
160.34578	0.3
161.04256	1.0
163.41811	0.3
165.25882	0.3
178.08777	0.3
178.72125	0.3
190.02565	0.6
205.05016	0.7
223.06059	0.5
269.04663	0.4
274.48267	0.3
297.22256	0.5
301.21652	0.3
315.23364	0.4
345.24564	0.6
362.95999	0.4
384.57541	0.4
385.27414	0.5
403.28485	1.8
431.28101	0.8
435.36780	0.4
443.27765	0.5
449.28873	1.8
473.29181	0.4
491.30112	100.0
492.30505	15.8
492.36765	0.3
493.28195	0.8
535.29022	9.1
536.29358	1.6
553.30316	1.3
595.31140	5.6
596.31543	0.9
639.30518	3.5
640.30780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51614	1.2
57.03324	14.5
59.01247	32.2
61.98702	12.6
69.03323	1.9
69.41091	8.4
69.41493	3.9
71.01251	31.7
72.99179	3.2
73.02814	7.8
74.92847	1.2
74.98964	4.8
75.00740	3.8
78.95734	2.0
83.01245	5.4
85.02815	23.7
87.00722	3.8
88.98685	1.7
89.02313	10.4
90.02700	1.3
93.03321	4.5
94.92170	1.3
95.01256	8.3
96.95888	2.0
97.02821	1.5
99.00771	2.9
101.02333	12.4
103.03204	2.1
103.03885	35.1
107.01236	1.5
107.04891	3.8
108.02046	22.6
109.02833	65.1
111.00745	4.6
113.02328	9.5
116.92771	1.7
118.97965	12.0
119.03405	3.8
119.04906	5.0
120.99543	2.5
121.02836	5.0
121.06378	1.3
123.00748	3.6
123.04387	1.8
123.08033	1.9
125.02331	3.5
128.03392	2.4
135.04395	3.6
136.99005	1.7
137.02299	4.6
137.09569	1.8
143.03352	1.5
145.02881	2.3
147.04433	1.7
149.02316	3.7
149.09590	3.0
150.03214	1.6
151.00285	2.4
151.03821	1.5
152.01041	2.3
153.01807	2.5
155.58752	1.4
157.05118	1.3
160.03972	3.0
161.04456	3.2
161.05849	1.5
163.03841	3.6
164.04536	2.2
165.01886	1.9
165.05443	1.8
167.03355	2.8
169.04991	2.1
175.00250	2.5
175.07370	1.6
179.06967	1.5
185.05994	54.2
186.06323	2.0
190.02609	5.6
195.13834	14.5
205.04980	4.7
215.07056	1.8
223.06017	3.8
229.05011	88.0
230.05313	5.9
237.06081	3.3
239.12854	28.2
240.13000	1.6
241.05087	2.2
241.14438	10.2
243.06586	51.4
244.06819	1.6
263.12802	3.1
265.09195	5.2
269.04498	4.6
270.05042	1.6
271.06082	32.6
272.06433	3.6
282.14926	5.2
330.49796	1.4
331.07678	1.8
338.55151	1.6
391.10364	2.4
433.18668	3.7
437.35736	1.5
441.17590	2.9
459.13092	6.6
460.19760	12.0
477.14099	30.5
477.20569	2.3
478.14401	2.9
478.20728	5.8
639.19098	100.0
639.29224	12.4
640.19067	15.6
640.28198	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	639.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38094	0.4
59.01254	2.4
65.00212	0.6
67.85773	0.5
70.27014	1.5
71.59933	0.5
73.74774	0.5
83.01272	0.8
85.02835	1.0
87.00792	0.5
88.98676	0.7
89.02328	0.7
98.20540	0.6
101.02284	0.6
107.01270	1.8
108.02052	1.4
109.02805	0.5
113.02312	0.7
119.04907	0.5
123.97620	0.4
125.02305	0.9
135.57915	0.4
137.02271	0.5
148.01558	0.8
149.99475	0.6
151.00244	5.9
152.00946	0.8
161.02394	0.5
163.00262	1.0
164.01035	1.2
165.01817	0.6
169.01280	0.8
172.01654	0.5
175.00366	0.5
186.03052	0.6
189.01837	0.9
198.03082	0.7
199.04008	0.9
206.99327	0.6
214.02629	2.9
215.03389	0.5
216.04251	0.6
226.02760	1.1
227.03407	1.4
241.01372	2.4
242.02165	21.2
243.02965	8.5
244.03589	0.9
245.00890	6.4
254.02057	1.0
255.03003	1.8
256.03674	0.6
257.04535	1.4
268.03452	0.5
270.01675	36.2
271.02423	12.0
272.03055	0.7
273.00464	0.6
276.89218	0.5
282.01642	0.6
283.02432	1.0
285.04022	13.8
286.04794	2.3
298.01129	8.7
298.04242	0.4
299.01935	9.0
299.05234	0.8
300.02734	29.6
301.03149	2.1
311.05475	0.7
312.02594	0.9
313.03528	100.0
314.04172	19.5
315.05084	77.5
316.05417	6.7
327.05215	1.5
329.06558	0.7
356.05402	0.8
357.06140	4.9
358.06354	0.8
461.07382	3.5
462.07550	0.5
476.09567	17.4
477.10345	88.3
478.10748	10.4
489.10349	0.7
519.11377	6.0
535.27582	0.6
639.15631	36.9
640.15839	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	637.432
Annotation	Gynosaponin TN-1
Peak:m/z	Relative Intensity
55.01725	1.4
58.58419	1.1
59.01245	21.0
61.98701	9.5
62.49724	1.1
69.26336	9.5
71.01244	14.1
72.99176	2.0
78.95782	2.6
80.91557	5.4
80.96373	2.4
85.02816	4.3
89.02305	7.0
95.01275	1.3
101.02325	7.7
113.02290	3.7
119.03333	2.5
152.99460	2.5
171.10065	1.2
178.39690	1.1
182.34142	1.1
193.62421	1.0
196.61133	1.1
276.97470	1.2
336.08746	1.0
375.29025	7.0
431.21719	1.6
458.08786	1.1
459.38220	3.4
475.37811	3.2
524.47083	1.3
577.26733	1.9
637.43152	100.0
638.43488	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29951	0.8
57.03313	1.0
57.60152	1.0
59.01247	11.7
65.00180	1.2
69.22601	9.8
71.01263	5.8
73.02817	2.6
81.03331	3.0
83.01257	2.7
85.02811	2.4
87.00772	1.3
89.02305	2.6
93.03321	1.7
97.02831	3.8
101.02347	5.4
107.01277	1.9
108.02010	1.2
109.02835	1.3
113.02329	2.6
119.03408	1.1
119.04899	5.6
121.02837	4.9
125.02321	19.6
134.03593	1.6
139.47406	0.9
143.04919	2.9
145.02864	10.0
147.04373	1.5
149.02330	2.6
151.00291	2.4
153.09079	1.1
155.08531	2.2
157.06464	2.3
161.06018	2.3
163.00237	1.7
165.01826	1.9
165.05522	1.4
167.03477	1.4
175.00282	1.6
175.03958	1.8
177.01836	1.6
178.99890	1.8
183.08170	1.1
184.05215	1.9
185.05942	5.9
191.03514	1.4
193.01314	3.9
196.95909	1.2
197.11763	1.2
199.07584	8.1
201.05533	1.2
203.07050	2.4
205.05008	1.0
209.06039	1.8
211.13449	1.1
225.05482	1.0
227.07027	7.3
229.05038	7.6
230.40744	1.0
241.05109	6.4
242.05727	1.8
243.06482	4.5
253.04961	5.3
255.06590	1.4
265.09357	1.5
267.06555	2.4
271.06100	100.0
272.06418	7.6
283.05838	1.4
295.06125	10.5
301.07184	5.1
313.07156	5.9
315.07385	1.4
325.07211	1.5
331.04672	2.2
333.19254	1.0
343.08301	2.3
373.09119	1.6
443.15475	2.7
475.12393	75.8
476.12964	9.1
505.13669	3.4
535.27283	2.5
553.28430	2.1
595.16309	2.7
595.46307	1.0
639.14740	2.5
639.25275	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	637.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08243	0.2
55.01748	0.8
57.03319	1.7
58.00468	0.7
59.01249	17.4
61.84651	0.2
61.98705	2.8
65.03825	3.1
67.01754	0.4
68.99656	0.3
69.03320	2.2
71.01249	12.6
71.04905	0.4
72.99171	1.1
73.02812	2.5
75.00753	0.5
78.95751	0.3
79.05398	0.4
80.02512	0.3
81.03322	0.9
83.01245	2.2
83.04891	1.8
85.02818	3.9
85.95676	0.3
85.99977	0.4
87.00748	4.4
87.04403	0.3
89.02309	5.4
89.02840	0.4
91.03883	0.3
91.05406	2.4
93.03323	1.1
95.01263	1.1
95.04901	1.5
97.02824	1.0
97.06462	2.8
99.00738	0.7
101.02316	7.4
103.03867	0.3
103.05418	0.5
105.06951	0.7
107.04903	1.1
109.06451	1.8
111.00711	0.3
111.04396	0.3
111.08040	0.7
111.87862	0.2
113.02322	4.5
115.03908	0.3
115.05419	3.0
117.03413	0.3
117.06968	0.8
119.03374	1.3
119.04891	1.4
119.08537	0.4
121.02842	0.7
121.06425	0.3
123.08060	1.4
125.02319	1.0
125.09608	11.9
129.06992	0.6
131.04915	0.5
131.08549	0.5
132.05685	0.4
133.04927	0.5
133.06451	0.7
133.10121	0.7
135.04387	0.5
135.08058	1.8
137.09572	0.7
143.03474	0.4
143.04903	0.4
145.04948	1.8
147.08093	0.4
151.11186	0.5
153.09206	0.4
157.06488	0.4
157.10101	0.7
159.11613	0.5
161.04454	2.2
161.05602	0.3
161.09575	0.4
163.11191	0.9
165.12703	0.4
171.10207	0.9
175.11133	0.5
177.12759	0.4
179.05568	0.7
179.10634	0.3
181.12244	0.4
183.10274	0.3
184.96123	0.3
185.09851	0.5
185.11722	4.6
185.13219	0.5
187.09647	1.6
187.11136	0.4
187.14815	4.6
189.12852	0.3
191.10654	1.2
195.11671	1.3
197.11708	0.5
199.14832	0.3
201.12772	0.8
203.10760	0.3
203.14362	0.6
205.12231	1.1
205.15994	0.3
207.10188	0.8
209.11758	12.7
210.12138	0.5
211.11270	0.6
211.13321	0.8
213.12793	7.2
214.13246	0.6
215.10713	1.1
221.15393	0.6
223.13341	0.4
225.11115	0.4
227.14330	0.7
229.12267	0.4
231.13846	13.2
232.14168	0.8
233.11740	1.6
233.15433	0.4
233.57874	0.3
235.08171	3.0
235.13358	1.3
237.14943	0.5
245.15317	0.5
247.13350	1.0
249.14949	1.9
251.16403	0.3
253.09224	1.2
261.14923	1.2
269.15274	0.4
273.14844	0.9
285.14911	0.9
287.16486	0.5
287.19873	0.3
289.14508	0.3
289.17569	0.3
299.16531	0.3
303.19659	0.4
311.23712	0.4
313.17932	0.3
321.21964	0.4
329.24890	1.3
331.19333	0.4
339.23190	2.2
355.22952	0.8
357.24283	1.2
365.21115	2.0
373.09726	0.3
373.23721	2.4
383.22229	14.0
384.22812	1.5
391.24957	1.1
401.23300	14.4
402.23431	2.2
405.17719	0.4
419.24402	3.9
420.24808	0.7
445.20932	0.5
457.25543	0.6
461.20062	0.3
475.26636	0.4
567.28162	0.3
609.32825	1.0
619.31177	100.0
620.31519	18.9
637.31897	18.0
638.32324	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	637.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03276	2.0
58.00456	3.0
59.01249	100.0
60.01583	2.4
61.98700	32.7
71.01246	45.9
71.51835	2.2
71.52311	3.6
72.99165	2.8
73.02811	5.3
75.00728	2.0
80.16296	1.9
83.01248	2.0
85.02837	10.4
87.00743	3.9
89.02310	49.9
95.01269	2.6
95.04936	2.0
96.95924	2.0
101.02320	31.5
107.01174	2.2
109.06487	18.5
113.02324	22.4
119.03374	24.7
119.04855	3.1
121.02800	3.7
125.02426	2.5
131.03403	3.6
143.03358	7.1
149.04518	2.0
152.99428	2.9
161.04459	9.3
171.10170	5.7
179.05527	20.2
209.11819	3.9
210.79797	2.1
235.08365	2.0
247.13400	1.9
268.69821	2.0
269.04419	3.2
359.29437	6.4
371.29434	3.2
383.22195	3.4
401.23300	6.3
413.30368	5.5
419.24109	2.7
431.31439	14.4
432.31827	3.5
472.72189	2.4
475.30460	16.5
579.55591	2.2
595.38141	3.4
613.98901	2.3
619.30994	11.1
637.36115	60.6
638.36566	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	637.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57421	1.3
55.01754	3.6
57.03314	4.8
59.01247	67.3
59.62597	1.2
69.03341	2.0
69.35555	4.7
69.35979	8.7
71.01247	54.1
72.99164	3.5
73.02810	16.8
75.00719	1.4
83.01249	10.0
83.04904	1.4
85.02822	24.6
85.99986	1.6
87.00740	16.5
89.02303	11.1
94.06504	2.7
95.01278	3.5
96.95878	1.4
97.02818	3.1
98.09500	1.4
99.00791	6.8
101.02309	35.0
103.03902	1.9
108.02023	4.2
109.02859	1.6
111.00743	4.7
113.02319	24.6
119.03367	5.6
124.07539	2.3
125.02313	4.1
129.01793	1.6
132.04436	8.4
137.02336	1.8
142.28499	1.3
142.95374	1.4
143.03423	3.3
151.03874	1.3
152.01018	1.8
159.02884	3.4
161.04440	8.5
168.06566	5.5
176.03387	1.6
179.05611	1.8
185.11729	2.4
189.09378	1.4
193.04997	2.2
202.68240	1.5
227.16449	8.9
237.10304	4.6
245.13791	3.4
250.72247	1.5
267.11084	2.1
269.12772	3.0
281.09326	1.6
295.10974	2.3
311.10361	4.4
313.11810	5.5
315.07407	1.7
339.09943	2.9
357.10565	3.6
363.15155	1.5
371.20639	4.3
385.60873	1.5
389.13232	1.5
389.21707	8.3
427.23981	1.8
517.18433	3.0
517.26257	3.0
533.25952	100.0
534.26093	13.5
535.27240	2.8
551.27020	52.0
552.27490	10.0
561.17188	21.4
562.17493	4.7
577.28650	3.0
593.20050	3.0
593.28198	19.5
594.28369	4.2
615.94794	1.7
628.89923	1.5
637.21240	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	637.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	7.8
58.00469	0.9
59.00961	1.2
59.01247	18.6
63.10696	0.9
68.61347	0.9
70.69938	2.0
70.70283	1.3
71.01244	12.1
73.02799	2.3
79.95599	13.1
80.96379	3.9
83.01254	2.1
85.02822	22.3
86.81180	0.9
87.00742	2.1
89.02311	8.5
91.58381	1.0
93.03321	3.6
95.01257	1.8
99.00730	1.0
99.04404	1.0
101.02315	6.7
103.03205	1.7
103.03884	30.1
104.04206	0.9
105.03357	1.0
111.00736	2.3
113.02306	5.1
119.03365	3.0
119.04858	1.6
121.02819	7.3
122.03599	6.7
123.04398	4.6
124.00626	53.2
125.02305	1.5
129.01785	1.0
132.02036	2.2
133.02809	4.0
134.02669	1.5
134.03635	22.8
135.04362	1.8
136.01529	1.4
137.02304	3.8
139.03871	1.3
147.03014	1.2
147.04366	3.8
148.05157	1.9
149.02353	15.0
149.05995	6.0
150.03125	52.4
151.00314	1.2
151.03923	13.2
153.05426	1.5
160.01588	12.2
160.03877	1.7
161.02364	6.5
161.04398	1.4
163.03836	1.5
164.04675	3.4
165.05489	41.4
166.05800	1.5
175.03922	16.4
176.04688	9.5
177.01843	1.7
178.02599	5.8
179.05496	0.9
179.06985	1.4
180.04172	3.3
181.04964	10.8
189.05464	1.1
190.02548	1.9
191.01866	3.9
191.03383	1.3
191.07057	8.5
192.04175	3.8
193.01349	1.0
193.04988	19.8
195.06569	11.9
205.04953	1.5
207.06509	1.5
209.02945	1.6
220.03673	2.3
220.11891	0.9
221.06093	1.0
223.05882	1.2
235.06000	12.7
244.56036	0.9
247.08252	1.4
265.09274	24.5
267.06622	1.1
269.03983	2.0
270.04327	6.5
282.05963	1.1
282.08832	5.2
292.75748	1.0
295.08209	3.5
341.10251	7.6
355.11807	1.3
383.11304	2.6
389.12332	3.4
423.12799	1.5
431.13611	1.5
432.09567	8.3
440.13168	3.2
441.13962	23.1
442.14371	1.9
455.15527	6.1
517.26666	0.9
577.28723	1.1
589.19525	6.7
593.22186	1.1
619.19861	1.7
629.39362	0.9
637.21283	100.0
638.13696	25.2
638.23511	6.7
643.15594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.2
57.64595	0.1
58.67670	0.1
59.01250	4.0
60.99173	0.3
61.98701	1.2
63.02261	1.9
65.00163	0.8
68.28178	0.1
71.01253	2.1
72.99157	0.3
73.02826	0.6
75.00739	0.5
78.86590	0.1
83.01243	0.6
83.04892	0.2
85.02821	1.3
86.77694	0.1
87.00750	0.4
88.98666	1.4
89.02344	0.6
93.03340	0.8
95.01270	0.2
95.04864	0.1
96.95890	1.3
97.02809	0.3
99.00769	0.2
99.04370	0.2
101.02307	1.6
103.03867	0.3
105.03323	0.2
107.01271	1.4
107.04946	0.1
108.02080	0.2
109.02821	0.2
109.46760	0.1
110.39869	0.1
111.00758	0.3
113.02324	0.9
117.03340	3.1
119.01285	0.2
119.03316	0.2
119.04903	0.7
121.02861	0.8
121.06493	0.1
125.02302	0.2
133.02806	0.2
135.04405	0.3
137.02304	0.4
143.03337	0.2
147.00746	0.3
147.04445	0.2
149.02335	1.5
151.00269	1.2
151.03947	0.2
152.00980	0.2
153.01863	0.1
155.04926	0.2
159.04399	1.5
160.03932	0.6
161.02391	1.0
161.04413	0.4
161.05940	0.1
163.03900	0.3
164.04660	0.5
165.05452	0.2
167.03334	0.2
169.06520	0.5
171.04355	0.2
171.10129	0.2
173.05942	0.2
175.00304	1.1
179.05641	0.2
180.05728	0.2
181.04988	0.1
181.06461	0.4
183.04454	0.9
184.71852	0.1
185.06091	0.1
190.02620	2.6
191.03371	0.2
195.04445	0.2
196.05162	0.4
197.05989	0.7
199.03874	0.3
201.05495	0.5
201.11287	0.2
203.03281	0.2
205.04982	1.9
206.05263	0.1
209.11778	0.4
210.03101	0.2
223.06044	0.7
224.04646	0.3
225.05496	1.2
227.03467	0.6
229.57401	0.1
241.14528	0.2
268.03815	1.2
269.04529	100.0
270.04861	7.5
271.06152	0.2
283.06058	0.9
285.03970	0.3
286.04257	0.1
301.14984	0.1
314.07880	0.1
367.10278	0.4
413.08914	0.3
431.09763	0.3
475.23822	0.2
491.29837	0.2
577.32422	1.1
581.80566	0.2
595.33282	0.8
636.42303	0.4
637.15631	3.7
637.27667	1.1
637.36066	1.0
638.15887	0.6
642.70703	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.416
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	1.7
58.30325	1.6
59.01247	100.0
60.01570	2.0
60.04596	1.2
61.98702	7.4
68.51412	1.4
69.03321	7.3
69.48598	4.5
69.49020	6.4
71.01260	2.1
73.02827	3.2
79.95620	1.8
80.96400	3.5
83.04909	2.3
87.04390	22.2
98.19815	3.0
101.05959	2.3
116.92745	3.4
121.02867	2.0
142.01691	1.6
173.99890	1.8
429.30249	2.5
443.31589	3.3
457.33041	2.8
469.33093	6.9
475.17468	1.5
481.32684	1.7
487.34180	2.9
517.35266	86.0
518.35498	14.5
531.36871	5.6
575.39453	56.8
576.39813	10.4
577.26685	4.9
589.40594	4.3
635.25281	9.2
636.25409	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	636.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33904	0.3
55.97627	0.3
57.03331	0.4
59.01252	6.5
61.98701	100.0
64.87404	0.4
66.26595	0.3
67.01760	5.9
68.24478	0.3
68.99689	1.4
71.01243	1.5
71.52499	0.5
71.52909	0.5
72.99184	0.4
73.02822	0.5
76.04616	0.3
78.95790	0.7
83.01244	0.3
85.02817	0.5
87.04387	23.4
88.04720	0.5
89.02349	0.5
101.02343	1.1
106.53650	0.3
111.00772	1.1
113.02326	0.6
114.00748	0.4
119.04938	0.4
123.00807	0.3
135.07982	0.3
161.04413	0.5
168.66238	0.3
171.10208	0.4
209.11754	3.0
210.12184	1.3
227.12831	0.5
231.10303	0.4
347.18506	0.6
383.22479	0.5
415.21204	0.7
485.25790	1.5
518.02661	0.3
529.24377	22.6
530.24786	4.6
573.23486	2.7
574.24286	0.5
635.38269	0.4
636.38824	1.3
637.31165	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11840	1.0
55.01749	0.9
58.02845	14.8
59.01238	3.8
60.99170	1.7
70.02844	7.5
71.01245	3.4
72.00765	3.6
73.02790	1.2
82.35046	1.1
85.02822	2.3
88.98675	8.8
89.02338	1.8
90.49331	1.2
91.05412	4.1
101.02293	2.1
113.02296	1.8
121.02910	1.1
135.04417	1.4
147.03297	1.9
147.04408	26.2
148.04808	1.3
162.09109	1.0
164.07072	68.1
165.07416	2.0
176.73018	1.0
206.08151	100.0
207.08554	5.5
230.20088	1.2
247.35030	1.0
362.22159	1.0
533.25195	1.5
562.13977	1.3
589.21759	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80313	0.3
57.03323	0.7
59.01254	4.2
61.98699	1.0
63.02261	1.4
65.00214	1.0
65.07538	0.2
69.19909	2.9
71.01260	2.5
71.87806	0.2
73.02808	0.7
75.00758	0.4
83.01240	0.6
83.04898	0.2
85.02831	1.4
87.00769	0.5
89.02316	1.1
91.01785	0.4
93.03323	0.8
95.01270	0.4
99.00816	0.3
101.02340	1.2
103.03905	0.9
105.03340	0.6
107.01270	1.9
107.04903	0.3
108.02090	0.4
111.00767	0.3
113.02330	1.1
117.03347	4.1
118.97944	0.4
119.01287	1.1
119.03427	0.3
119.04954	0.3
121.02829	1.0
129.01820	0.2
135.04442	0.6
137.02406	0.5
146.02385	0.6
147.00774	0.8
147.02792	0.2
148.01668	0.4
149.02333	2.9
150.03088	1.0
151.00256	1.3
151.03941	0.3
152.01045	0.4
158.03677	0.3
159.04369	1.3
161.02374	1.2
161.04483	0.6
163.03941	0.5
164.03426	1.7
164.04713	1.3
165.01804	0.4
165.03831	0.6
165.05469	0.4
165.12779	0.7
169.06474	0.4
171.04457	0.3
173.02357	0.4
175.00279	5.9
176.01062	2.4
179.07130	0.3
180.05634	0.3
181.06459	0.5
183.04474	0.9
183.13817	0.7
189.01746	0.3
190.02634	11.0
191.03391	3.3
194.02097	0.6
195.04578	0.3
195.13850	2.0
196.05260	0.3
196.14149	1.0
197.06042	0.6
201.05513	0.7
205.05005	6.5
206.05406	0.5
209.04440	0.8
223.06006	1.7
223.65428	0.3
224.04681	0.6
225.05531	1.3
227.03409	0.4
227.12845	0.6
239.03513	0.4
240.04109	0.6
241.04703	0.3
241.14430	8.2
242.14757	6.0
251.05499	0.6
265.09372	0.4
265.14474	0.7
266.14822	0.8
268.03757	19.4
269.04538	100.0
270.04868	8.4
270.07642	0.5
283.06107	33.9
284.06473	2.7
293.04459	2.5
293.06818	0.2
302.65146	0.3
311.05444	1.3
330.77444	0.3
353.08759	12.4
354.09024	0.8
367.10153	1.5
413.08771	1.8
419.84158	0.3
431.09766	1.6
439.45062	0.3
457.20816	0.4
465.26871	0.4
475.21600	2.0
487.37704	0.3
549.28979	0.8
593.33191	0.6
607.16858	0.3
636.43152	0.3
637.15631	18.4
637.27344	2.3
638.15955	4.1
638.25635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62196	0.6
55.60331	0.7
57.03344	0.8
59.01248	100.0
60.01580	1.0
61.98711	1.2
68.99681	1.2
70.38804	1.4
70.39194	2.2
71.01260	4.0
72.99184	2.9
73.02830	2.2
78.95775	0.8
81.48399	0.7
85.02835	2.5
87.04389	15.0
89.02337	0.9
93.03358	1.0
93.58664	0.7
96.95908	0.7
97.02782	1.1
99.00775	0.9
101.02330	2.0
107.04881	0.9
109.02901	1.1
113.02346	1.8
116.92725	1.0
121.02860	1.0
125.05979	0.7
135.04402	1.2
160.03954	10.3
393.19223	2.8
411.14624	3.1
443.20758	2.0
499.19757	1.5
501.25598	1.0
513.25165	4.1
526.29211	0.9
529.24316	4.4
557.23828	15.6
558.24524	2.6
575.24878	9.4
575.33612	1.2
576.25946	1.0
634.42468	1.3
635.32849	3.7
635.42108	1.6
636.31177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25272	0.2
57.03313	0.4
58.00460	1.2
59.01250	4.4
61.98698	0.4
69.03314	0.3
71.01251	1.8
71.04922	0.3
72.99181	0.7
73.02818	4.2
78.95784	0.3
83.04890	0.5
84.02039	0.4
85.02838	0.6
85.06452	0.2
87.04391	0.3
95.04882	0.3
97.02854	0.2
97.06470	1.3
99.04400	0.3
101.03841	1.4
101.05929	0.8
109.06412	0.2
119.04942	1.0
123.08051	0.3
125.09608	0.2
128.17749	0.2
131.04945	1.6
135.04628	0.2
147.04413	53.7
148.04739	1.9
161.05949	0.4
173.09674	0.2
174.80951	0.2
240.95261	0.2
258.59177	0.2
276.90256	0.2
295.92795	0.2
349.87207	0.2
355.26306	0.3
357.27960	0.2
363.26843	0.2
365.24976	0.2
369.27988	0.6
373.27399	0.3
381.27948	0.7
383.26059	0.2
385.27542	0.5
387.29053	0.6
393.27643	0.2
398.45172	0.2
399.29178	0.4
409.27911	0.2
411.28897	0.4
503.24591	0.4
503.31662	4.4
504.32077	0.6
511.32004	0.3
515.31653	0.9
517.33185	3.6
518.33508	0.5
519.35059	0.3
529.33136	5.8
530.33295	1.0
541.33081	1.8
545.32385	0.3
547.34259	2.4
548.34674	0.3
557.35724	0.2
559.34650	2.2
560.34222	0.4
575.33759	0.4
577.35278	100.0
578.35645	18.0
585.32629	0.3
599.37793	1.1
617.38245	0.4
633.37787	0.3
635.39447	9.0
636.39832	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	635.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68208	1.1
53.45235	1.0
55.01788	1.0
56.57611	0.9
57.03320	7.8
58.00462	2.0
59.01249	43.9
61.98690	3.2
71.01252	41.8
71.52903	1.1
72.89927	1.1
72.99172	3.5
73.02817	14.3
75.00739	1.4
83.01252	8.5
85.02817	27.0
87.00742	4.7
89.02310	18.7
95.01266	2.3
96.95892	1.5
97.02850	1.3
99.00733	1.6
101.02323	16.6
103.03889	58.1
111.00752	1.4
113.02342	13.3
116.92740	2.5
117.05438	1.0
119.03410	8.8
119.04890	2.1
121.02806	1.0
123.00717	1.4
123.04397	2.0
125.02355	1.0
131.03354	1.6
137.02336	2.4
143.03395	2.4
149.02345	1.3
150.03210	1.1
151.00244	1.2
151.03891	17.3
157.04961	6.3
160.03943	1.2
161.04471	2.9
163.00285	1.1
165.05504	6.9
165.37889	1.1
166.06212	9.6
175.03925	4.5
177.01819	2.4
178.02591	1.4
179.05569	2.3
190.02576	1.4
190.06239	3.3
191.03403	1.0
192.04272	2.3
193.04910	3.1
195.02951	1.8
205.05031	1.3
205.08665	1.9
207.06557	4.6
210.05249	11.1
211.06010	2.2
219.02962	1.0
223.06091	1.9
225.07634	45.2
226.07997	3.2
234.05174	1.2
239.09174	7.1
241.14392	1.7
247.08136	5.7
249.07677	6.4
265.06448	2.0
265.09271	37.1
266.09598	2.2
267.08664	17.6
276.96439	1.0
281.10303	2.8
369.12039	1.3
387.12854	5.4
455.09641	1.3
455.15485	4.1
473.16605	45.6
474.16934	5.1
515.25226	1.9
531.24463	2.9
533.26202	2.4
549.25616	1.3
552.81683	1.2
635.21912	100.0
636.22382	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	635.2507
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
59.01244	1.2
61.98685	2.5
69.29062	0.9
71.01220	0.9
71.23089	2.1
78.95780	2.3
97.66437	0.8
110.14369	0.8
123.60447	1.0
148.55574	0.8
195.13928	1.3
255.23335	1.2
277.21915	1.1
299.75208	0.9
375.20145	1.4
415.15683	1.3
419.18793	1.8
430.13705	1.1
431.18747	4.6
433.20233	1.8
434.20963	1.5
443.14688	1.1
445.16202	2.7
457.20178	1.1
458.17203	4.3
459.18689	2.2
461.23151	1.1
473.21039	4.1
474.16727	12.2
475.17468	5.9
487.17618	2.4
488.18365	8.5
489.19348	6.8
490.20206	8.8
491.20160	2.0
501.19370	2.9
505.22641	7.6
516.18250	1.5
529.19086	1.7
548.20770	2.4
549.21558	7.0
560.20447	2.5
575.22900	17.6
576.23621	13.4
577.24377	1.9
593.90887	1.0
603.22986	2.7
635.25067	100.0
635.40015	4.0
636.25439	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	635.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55859	0.9
57.03322	1.8
59.01250	100.0
60.01575	1.3
61.98699	6.7
63.49995	1.0
68.99680	1.4
71.01253	8.9
71.52331	1.5
72.99171	4.5
73.02821	3.1
83.01254	2.5
83.04901	1.6
85.02814	5.2
87.00775	1.6
87.04392	14.1
88.98713	1.2
89.02308	2.5
95.01247	2.0
96.95898	2.7
97.02835	1.4
99.00712	1.0
99.04467	1.0
101.02303	5.2
103.03886	0.9
107.04899	1.5
108.02065	1.3
109.02888	1.0
109.06456	1.3
113.02318	3.5
113.52803	1.0
115.91964	1.1
116.92725	0.9
119.03369	1.1
119.04916	1.7
121.02840	1.7
134.03600	2.0
135.08022	0.9
137.05965	1.0
143.03453	1.3
145.02914	1.1
151.00241	2.3
154.97919	1.2
160.03952	10.3
161.04456	1.3
163.03918	1.5
164.04678	1.2
174.05539	1.5
175.00406	1.3
190.02623	1.7
190.60501	1.0
193.04961	2.7
205.04964	1.6
215.69656	0.8
223.05978	1.4
269.04526	4.2
286.01016	1.5
329.03152	1.0
344.05182	2.0
393.19183	1.8
411.14700	1.2
443.20566	3.3
471.20239	1.1
473.14215	1.3
499.19669	2.1
501.25162	1.2
506.10733	2.6
513.24628	4.9
514.24615	1.0
515.32178	2.4
529.24091	4.5
531.25494	1.8
557.23816	15.7
558.24207	3.7
575.25201	8.4
575.33459	1.9
576.24933	1.1
591.33795	1.4
634.42462	2.1
635.31714	3.9
635.41638	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	634.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17582	1.0
52.73655	1.0
57.80679	1.2
58.00824	1.0
59.01249	10.1
60.01592	1.2
61.01676	1.4
61.98702	100.0
70.34650	3.7
104.90884	1.0
116.92731	2.7
125.84695	0.9
133.26912	1.0
173.02338	2.2
174.02873	1.2
201.01842	3.0
202.02116	1.4
206.12802	1.0
216.00597	1.4
232.03758	2.3
233.04236	1.3
345.68951	1.0
576.15509	1.7
657.99689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04421	0.3
58.24366	0.3
59.01249	3.3
61.98701	100.0
62.98415	0.3
63.67978	0.3
71.01238	0.7
71.53442	0.4
78.95788	0.5
96.95911	0.4
101.02299	0.3
101.05969	0.9
102.05334	0.3
113.05986	0.3
119.04917	0.3
136.34528	0.3
146.93892	0.3
152.99510	0.8
211.13405	0.3
512.27246	0.3
574.27533	0.9
642.00793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52225	0.3
51.96959	0.3
56.69408	0.3
57.03313	0.7
59.01248	7.0
60.69415	0.3
60.95728	0.3
61.31212	0.3
61.98702	2.6
63.02257	1.0
63.93904	0.3
65.00186	4.5
67.62415	0.3
68.99678	0.5
70.92260	1.0
71.01246	1.9
72.99184	0.6
73.02819	1.1
74.21996	0.4
74.32494	0.3
83.01249	4.2
85.02818	1.0
90.72849	0.3
93.03326	1.0
96.95907	1.8
99.04411	0.5
101.02308	1.2
103.03854	0.5
107.01267	6.4
108.02074	2.3
111.00733	0.4
113.02302	0.9
114.12733	0.3
119.04922	2.4
121.02844	0.4
123.00760	0.8
124.01517	0.5
125.02325	1.7
133.02834	0.5
136.01521	2.5
137.02324	1.1
137.06000	0.5
149.02309	0.9
151.00269	19.4
152.00716	0.5
156.05746	0.4
157.06447	0.5
158.03603	0.5
159.04436	0.7
161.04465	0.4
162.55553	0.3
163.00333	0.5
163.03807	0.5
164.01057	12.3
165.01402	0.6
165.09190	0.5
169.01277	0.5
169.06357	0.3
171.04352	0.5
171.10164	1.4
175.00281	0.9
175.03915	1.5
175.07590	3.7
177.01860	1.8
183.04424	1.0
184.05190	1.0
185.02359	0.4
186.03140	3.5
187.03857	1.2
190.02582	0.7
196.00056	8.9
197.00417	0.4
197.05977	1.4
198.06773	2.6
199.07561	2.0
201.05531	5.0
201.11229	0.5
202.06068	0.6
205.05092	0.7
205.98535	0.3
209.11684	0.7
213.05460	0.5
215.07144	0.5
217.08600	2.3
225.05486	0.7
226.06258	2.5
228.04189	0.7
241.05069	2.1
241.08658	6.9
243.06572	3.6
245.08125	1.0
250.23404	0.3
255.06519	0.8
256.07303	0.6
269.04471	2.5
270.05298	10.1
271.05917	1.6
283.06131	0.5
284.06787	0.7
285.07660	100.0
285.41983	0.4
286.07971	7.5
297.04047	0.6
297.07620	0.6
309.07755	1.7
311.09290	0.5
326.04419	0.7
327.05176	0.7
327.08734	1.8
327.12234	0.4
329.06570	0.4
431.13248	1.0
471.13065	0.6
473.14447	3.8
489.13675	0.6
520.50677	0.4
554.58185	0.4
575.17792	3.2
576.18213	0.4
591.34131	0.4
593.18774	5.1
594.18933	0.8
634.42120	1.1
635.19757	71.9
636.20062	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	633.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84984	0.6
59.01247	100.0
60.01583	1.0
60.14815	0.6
61.98706	8.5
64.60918	0.6
69.03331	0.7
70.40023	0.6
71.01254	1.1
71.52677	1.2
73.02807	0.9
75.00737	1.3
76.30331	0.5
78.95731	0.8
85.02858	0.7
87.04388	4.2
98.17612	0.7
113.02338	1.6
126.05873	0.6
145.02988	0.8
171.10172	1.0
175.03976	0.9
201.01830	5.6
216.00562	0.7
273.42392	0.7
303.08920	1.1
319.59265	0.7
400.18521	0.7
443.31436	3.0
515.34161	2.5
525.35944	5.0
526.36279	1.3
543.37195	1.3
573.37805	8.0
574.38757	1.5
575.35925	1.2
633.22974	1.0
633.40265	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	633.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38284	0.2
58.71178	0.2
59.01248	100.0
60.01591	1.0
61.98700	1.2
69.03344	0.4
71.01255	0.6
71.52625	0.6
73.02831	1.0
78.95795	0.6
87.04356	1.9
94.97274	0.3
98.50753	0.2
153.10968	0.3
154.17015	0.3
201.01939	0.3
216.00604	0.4
216.75763	0.3
234.30092	0.3
261.24435	0.3
298.84985	0.3
321.92529	0.3
346.37189	0.3
443.31680	2.0
499.34805	0.5
525.35815	3.6
525.42786	0.4
526.36133	0.8
543.36945	1.1
573.37915	8.3
573.46417	0.5
574.38379	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	634.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46280	0.8
59.01245	7.6
61.98676	1.1
68.88649	0.7
71.01248	0.9
71.36653	0.7
72.99174	2.3
73.02801	1.1
74.84562	0.8
76.15183	0.7
85.02847	1.6
96.95872	2.9
98.19764	1.8
100.16385	0.9
101.02319	1.8
113.02337	0.9
116.36433	0.7
151.00246	1.0
205.44165	0.9
223.12970	0.9
268.03748	2.6
269.04312	1.3
282.99469	4.7
283.06070	4.1
284.06482	2.0
285.07437	0.9
310.98917	42.4
311.99579	8.9
326.01251	100.0
327.01816	18.1
341.03613	17.4
342.04355	10.5
370.00238	17.8
371.00479	1.9
385.02582	46.9
386.03064	10.4
387.04358	1.2
493.11316	0.8
546.10492	2.4
548.08612	25.6
549.08875	3.8
550.56445	0.9
590.09674	63.0
591.09985	10.0
616.07605	2.7
634.08752	6.0
635.09039	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	634.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	9.2
60.01582	0.7
61.98701	100.0
68.37504	0.2
69.93484	1.3
70.17598	0.2
71.01257	0.3
78.95791	0.5
83.15871	0.2
101.05968	1.4
101.06550	0.3
111.00802	0.3
116.94250	0.3
211.13326	0.4
333.92374	0.3
414.16519	0.5
458.62769	0.2
573.96161	0.3
574.27502	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.98703	28.8
68.99692	1.9
69.03313	1.6
71.01250	11.2
71.52496	1.7
72.99202	2.1
73.02804	2.9
74.93185	1.2
76.26540	1.2
78.95791	2.6
80.25223	1.3
82.00729	1.3
83.01269	2.3
83.04897	1.5
85.02814	3.5
87.00767	1.7
88.98666	2.7
89.02311	2.4
93.03275	1.3
95.01286	2.6
99.00740	1.6
101.02312	2.7
101.05959	11.8
107.04887	1.5
111.00766	1.6
111.04394	1.3
113.02338	2.9
119.04880	2.0
125.09623	1.7
137.06000	2.5
139.07538	1.8
144.04414	1.5
151.11223	3.0
152.99442	2.4
161.04442	1.7
163.03960	2.2
171.10136	3.2
181.23587	1.5
194.06480	1.5
208.59410	1.5
211.13339	2.5
233.71407	1.5
250.27440	1.6
269.04379	1.4
300.16104	3.0
373.20090	2.0
377.19604	6.9
427.21179	5.6
429.22809	2.3
471.31049	1.6
511.27023	8.9
527.26489	4.5
529.27917	5.9
555.25867	18.0
556.26074	4.4
573.26892	6.1
633.29425	1.6
633.38300	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	633.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82586	0.4
59.01250	100.0
60.01584	1.3
61.98702	5.5
69.52568	3.2
71.01265	0.6
78.95802	0.5
82.07214	0.4
101.02338	0.8
101.06001	0.9
121.02841	11.5
122.03221	0.5
144.04544	0.5
152.16653	0.4
166.94333	0.4
174.03162	1.2
175.03984	0.6
194.19841	0.4
198.09314	0.7
201.01822	0.5
245.08182	4.6
246.08357	0.5
294.09662	0.5
413.40253	0.4
531.16956	0.5
535.23492	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25018	0.6
59.01250	2.9
67.01762	0.8
69.46421	1.8
69.46839	2.2
71.01231	1.9
73.02798	0.5
75.91420	0.5
89.02327	1.5
101.02320	1.2
113.02317	0.7
119.08535	0.9
123.04406	1.8
135.02824	0.6
135.04398	9.3
147.04308	0.6
149.05962	0.8
150.06783	1.2
151.07542	45.1
152.07875	2.1
157.04314	0.6
163.07545	26.6
164.07893	1.5
175.03854	0.6
177.05473	13.2
187.07539	0.9
189.05409	1.3
194.05644	0.6
195.06567	3.3
203.10660	1.6
205.05040	0.9
207.06581	5.9
208.06758	0.6
211.09695	0.8
221.11830	1.4
223.06065	1.5
223.09630	1.5
226.04758	1.1
239.12813	7.4
240.13116	0.8
247.09743	2.4
253.14398	1.0
265.07922	1.0
265.10822	10.3
266.11069	0.7
283.11880	8.0
297.13403	4.2
341.19666	2.0
367.17487	2.4
385.18646	100.0
386.18973	11.4
427.19415	0.6
432.28854	0.6
471.14816	1.6
547.23492	0.7
589.24884	8.2
614.29486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	3.0
59.01244	12.2
60.84422	0.4
65.89869	0.4
69.03281	0.4
69.19936	3.3
69.20335	0.7
71.01251	13.6
71.04884	0.4
72.99166	0.7
73.02769	1.2
75.00718	1.0
76.78085	0.4
78.49039	0.4
83.01241	0.6
85.02821	9.6
86.03142	0.5
86.99268	0.4
87.00709	1.4
89.02309	7.1
93.03281	1.2
95.01210	0.9
96.95872	0.6
99.00711	0.6
101.02318	6.2
103.03886	22.1
111.00696	1.0
113.02333	4.0
119.03389	3.5
119.04886	3.5
121.02802	1.8
123.04310	0.8
125.02297	0.6
127.03822	0.4
131.03398	0.4
134.03621	3.2
135.02866	3.0
135.04370	1.2
137.02306	1.0
143.03383	0.5
145.04903	0.8
148.01546	0.5
149.01259	0.7
149.02351	10.8
149.04283	0.5
149.05933	0.5
150.02763	0.6
151.03856	0.8
152.01004	2.3
153.05524	0.5
157.04903	1.1
161.04364	1.0
163.03896	5.0
164.04710	10.1
165.05299	0.8
167.03348	0.8
169.04948	0.5
175.00279	2.5
176.01089	3.5
177.05446	1.1
179.05496	1.0
179.06990	2.6
180.04004	0.5
181.04958	0.5
190.02635	12.6
191.01761	0.5
191.03410	7.4
192.03740	0.6
193.01309	2.4
195.13795	0.9
201.41502	0.4
205.05000	23.8
206.05690	4.0
207.02908	3.4
208.03717	7.7
209.04309	1.1
211.07553	0.7
221.06435	0.4
221.08151	4.4
222.05196	1.4
223.06059	26.8
224.06386	1.7
235.02318	1.0
237.07591	1.4
239.12849	1.8
250.04765	4.8
251.05266	0.7
263.12912	0.8
265.06982	11.4
265.09232	35.3
266.07361	1.2
266.09634	1.3
295.08029	1.1
299.48633	0.4
325.09235	2.2
327.08670	3.4
345.93259	0.4
367.10043	1.0
445.11368	1.6
453.13965	27.0
454.14349	3.7
456.12424	0.8
471.15021	100.0
472.15353	12.3
513.16046	0.9
633.20355	22.8
634.20905	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	633.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.6
58.00459	0.5
59.01242	10.1
69.23215	0.5
69.57948	3.5
71.01251	9.9
71.01617	0.7
72.99181	0.8
73.02834	1.4
83.01222	0.7
85.02818	14.4
86.03167	0.5
87.00779	1.4
89.02303	5.3
93.03328	1.0
95.01259	0.8
99.00764	0.8
101.02312	5.4
103.03883	28.5
111.00768	0.7
113.02327	3.4
117.05448	0.7
119.03403	2.9
119.04884	1.3
121.02854	2.3
130.31207	0.5
133.02834	0.5
135.02878	1.2
135.04431	1.8
135.90833	0.5
145.04977	0.7
147.04446	0.7
149.02336	19.3
150.03009	1.6
151.03990	0.7
151.07512	2.6
152.01076	2.0
153.05528	1.3
163.03886	3.6
163.07545	1.4
164.04691	23.4
165.05171	0.9
166.02631	1.6
169.04955	1.0
169.57356	0.4
175.00333	2.7
176.01065	4.9
177.05441	1.8
179.05536	1.0
179.07036	8.4
180.07494	0.8
181.04965	0.6
183.06551	0.5
189.00204	0.5
190.02638	9.9
191.03409	13.1
192.03888	1.0
193.01331	2.5
193.05029	0.6
194.14337	0.5
205.04984	16.3
205.06833	1.1
206.05739	8.9
207.02965	1.6
207.06380	0.7
208.03711	12.1
209.04436	1.1
221.08134	10.7
222.05177	0.8
223.06056	36.6
224.06448	1.9
235.02512	0.7
237.07698	1.3
247.06003	0.5
247.08249	0.9
250.04758	3.2
253.44077	0.5
265.07043	12.4
265.09308	36.5
266.09662	2.0
277.09305	0.7
295.08218	1.5
325.09271	4.2
327.08740	0.8
367.10294	0.9
385.18707	4.6
453.13953	12.8
453.20450	0.6
454.14240	1.6
456.12363	1.2
471.15033	100.0
472.15460	11.3
633.20319	32.0
634.20905	4.0
637.88220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	5.2
59.01250	91.8
61.98702	15.2
69.03282	2.6
69.19389	18.4
69.19815	9.5
69.65202	2.4
71.01254	29.6
72.99168	7.1
73.02826	9.7
75.00728	4.3
83.01256	6.6
85.02834	18.5
87.00753	9.1
87.04382	6.2
88.98677	3.2
89.02305	9.5
93.03345	6.3
95.01256	6.0
96.95876	9.5
99.00764	4.4
101.02319	14.6
103.03895	5.5
108.02032	4.8
109.02837	4.0
111.00714	2.9
111.08095	2.8
113.02332	14.7
114.05447	2.4
116.04930	16.6
116.92714	6.3
119.03386	4.7
119.04890	8.4
120.01126	4.3
121.02813	9.6
123.04371	3.1
125.02314	2.9
125.09668	3.0
134.03598	3.9
135.04385	6.1
137.00633	2.6
137.02359	6.3
139.43190	2.6
147.04478	2.9
149.02307	7.5
149.05907	3.2
151.00238	5.9
151.07550	7.0
152.01021	2.6
157.08504	2.3
158.89638	2.3
160.03929	5.9
161.04506	5.3
161.05826	2.7
162.03027	2.4
163.03932	4.8
164.04662	7.1
165.03917	7.5
167.03316	3.1
171.10162	10.5
175.00182	4.5
175.03944	4.3
177.09105	5.3
179.03230	3.5
181.05013	2.5
190.02637	14.7
201.11255	3.9
203.10718	3.7
205.04968	17.0
205.08591	7.6
209.11653	3.8
220.10973	10.2
221.11766	24.9
223.06035	7.5
225.11230	3.8
231.10216	5.5
247.09691	3.9
247.13327	12.4
264.09860	4.3
268.03955	5.2
269.04431	7.8
271.06058	6.5
283.02582	2.9
283.05896	5.1
285.03995	5.2
286.03436	2.8
289.14334	3.3
305.17612	26.9
310.99036	12.0
326.01184	23.3
331.15436	11.6
341.03473	2.7
349.12253	4.9
349.16528	100.0
350.16714	7.9
367.10330	3.3
370.00238	6.6
385.02591	10.0
385.14206	64.0
386.03525	4.0
386.14450	7.6
511.28754	5.9
513.30988	4.2
529.30096	3.2
553.22784	14.4
554.23578	3.6
589.20117	4.0
589.32245	9.3
590.09540	15.2
632.40088	6.3
633.24036	9.0
633.32532	4.8
633.41119	3.6
634.19336	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	633.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
57.03318	0.6
59.01248	9.7
61.10009	0.4
61.98697	2.6
67.01755	1.2
68.99685	0.4
69.26901	3.6
71.01250	9.8
71.77014	0.4
72.92701	0.4
72.99165	0.9
73.02813	3.0
74.98985	0.6
83.01256	2.2
85.02821	4.1
87.00761	0.9
89.02312	3.5
93.03333	17.5
93.03928	0.9
95.01266	1.5
95.04945	0.4
96.95875	0.9
96.99194	0.8
99.00749	0.8
99.04395	0.6
101.02327	5.2
103.03862	0.8
104.19126	0.4
107.04910	0.8
108.02036	7.8
108.02718	0.5
109.02828	3.4
111.00758	6.9
113.02320	4.6
116.92710	0.5
119.04912	89.1
120.05238	3.6
121.02833	2.4
123.00758	0.4
123.04409	0.8
125.02377	0.7
131.37372	0.3
133.02814	1.2
133.06470	0.4
134.03607	1.4
135.04382	0.9
136.01540	1.4
137.02342	28.5
138.02715	0.5
143.03403	3.5
145.02834	1.1
147.04419	1.2
149.02325	0.8
149.05960	0.8
151.00264	0.7
151.03928	1.1
152.01057	7.9
153.01854	3.6
160.01550	1.8
160.03796	0.4
161.04510	0.7
161.05969	0.5
163.03914	62.9
164.04260	2.8
169.01295	0.6
175.03905	3.2
177.01874	2.8
177.05565	0.5
179.03444	0.9
179.05479	0.6
181.04977	0.4
187.02455	2.3
187.11156	0.4
191.03398	1.0
193.04964	1.4
195.06415	0.5
195.13950	0.5
201.55019	0.4
203.03409	0.7
205.05026	3.2
205.12282	0.5
215.06985	0.5
221.04482	0.7
223.06062	1.0
235.06081	0.8
241.14421	1.1
255.02980	0.4
259.06134	0.6
265.09393	1.0
269.04633	0.8
269.40668	0.5
281.06662	17.9
282.06949	1.2
295.10342	1.8
297.11856	1.3
315.07220	8.8
315.10648	0.8
316.07404	0.6
337.09241	1.4
339.07153	5.4
383.06125	5.2
385.22162	0.5
401.07193	2.2
409.11499	2.3
427.12549	0.6
445.11362	100.0
446.11685	10.3
471.18488	0.8
513.19891	0.5
543.31781	1.7
589.25360	0.7
632.23993	0.7
633.21277	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	631.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71147	0.2
59.01248	5.3
61.98699	0.7
62.76333	0.2
64.09010	0.2
71.01233	0.4
72.99169	1.8
73.02821	0.7
74.02345	0.3
75.00742	100.0
76.01086	0.8
78.03358	0.2
98.20535	0.6
101.05972	1.2
128.63318	0.2
188.01151	0.2
198.09145	0.3
211.13379	0.3
216.00552	0.7
306.31473	0.2
341.49158	0.2
361.17862	0.3
411.14633	0.2
451.17593	0.3
527.26813	0.4
553.24512	0.5
571.25909	0.5
602.16461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
57.03312	0.7
59.01249	10.0
61.98689	0.9
63.39085	0.2
65.00169	0.4
67.01753	0.8
68.99691	0.4
69.03306	0.4
69.34333	1.7
69.34751	0.7
71.00908	0.2
71.01254	7.1
72.99178	0.8
73.02815	2.6
81.03332	0.4
83.01261	1.6
85.02818	3.5
87.00747	0.6
89.02319	3.1
93.03329	14.1
94.03664	0.5
95.01264	0.9
96.14828	0.3
96.95890	0.9
96.99189	0.8
97.02823	0.4
99.00746	0.5
99.04453	0.5
101.02321	6.4
103.03900	0.6
107.04921	0.4
108.02053	1.4
109.02843	0.6
111.00764	6.5
113.02316	3.6
115.03914	0.3
117.03350	0.5
119.04913	95.3
120.05246	3.9
121.02860	1.6
123.04386	0.6
134.03624	0.7
135.04405	0.9
135.06508	0.7
136.01537	1.5
137.02339	32.4
138.02704	0.9
143.03413	2.5
145.02873	0.9
146.02394	0.4
147.04411	0.6
149.02357	0.6
151.00266	0.8
151.03903	1.1
152.01033	1.8
153.01859	0.6
154.99733	0.5
161.02271	0.3
161.04437	1.2
161.05728	0.3
161.13283	1.2
161.46458	0.3
163.03914	43.9
164.04254	1.6
169.01308	0.5
175.03906	0.7
177.01836	0.6
179.03444	1.0
179.05525	0.7
181.02908	0.3
181.04881	0.3
187.02393	3.2
187.11214	1.1
191.03377	0.6
193.04918	0.5
203.03468	2.2
205.04961	0.9
205.12300	2.2
221.04523	0.6
223.06151	0.5
239.05615	0.4
265.09320	0.9
269.04556	0.7
271.06302	0.5
279.10785	0.5
281.06644	28.6
282.06964	2.3
297.11948	4.1
298.12207	0.4
315.07233	1.3
339.07266	0.9
341.22968	0.3
383.06027	0.6
401.07346	0.3
401.12286	0.9
445.11371	100.0
446.11722	14.8
446.16907	0.3
471.18640	0.4
485.23782	1.1
499.25610	0.4
529.23083	0.9
529.30310	0.5
543.32080	0.8
579.17181	0.6
589.24860	1.4
633.22369	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01603	0.7
61.17125	0.4
61.98700	0.6
64.77673	0.4
64.94975	0.3
65.74431	0.4
67.01758	0.4
68.99679	0.8
69.03329	0.7
69.41731	3.2
71.94922	0.4
83.04902	0.5
85.02782	1.0
95.01276	0.7
101.05962	11.3
121.10894	0.4
139.00310	0.6
139.07570	1.3
143.22289	0.4
265.15933	0.5
411.14404	3.6
443.20764	2.7
459.20749	0.5
469.22546	1.1
513.20691	2.1
527.26617	4.7
528.27124	1.0
543.26093	2.7
544.26361	0.8
571.25464	8.9
572.25928	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	631.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84261	0.2
57.03337	0.3
59.01248	100.0
59.62168	0.3
60.01582	1.1
61.98700	1.1
69.24915	2.5
85.02816	0.5
96.95918	1.1
101.05958	5.4
109.03998	0.3
111.00763	0.6
178.36115	0.2
187.03960	0.4
188.01033	0.5
216.00598	3.3
218.34343	0.3
229.25171	0.3
245.08267	0.8
267.17004	0.3
281.54715	0.3
283.16556	0.3
293.81888	0.3
349.14453	0.3
365.17996	0.5
389.17993	0.3
407.18762	1.5
411.14542	0.8
469.18597	2.3
513.21710	0.3
525.92157	0.3
618.66168	0.3
624.32306	0.3
632.38300	0.4
635.05121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22975	0.9
57.03301	1.1
59.01248	17.1
61.98698	7.1
62.76423	1.0
62.76752	0.9
69.95151	4.5
71.01230	1.5
72.99171	2.1
73.02821	6.1
75.00742	100.0
78.95781	1.1
83.04865	1.6
96.95889	1.0
98.20197	2.7
101.05911	1.6
132.16069	1.0
168.41565	0.9
175.03809	1.0
188.01036	4.4
201.01790	2.0
216.00562	2.7
245.08109	3.1
287.05484	2.1
458.81631	1.2
546.15125	4.6
547.15479	1.3
631.38794	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.3
59.01249	100.0
60.01573	1.1
63.05198	0.7
66.49264	0.7
67.01773	1.1
68.99686	4.7
69.03322	2.6
70.00025	4.2
71.01244	5.0
72.27267	0.8
83.01240	1.2
83.04879	1.2
85.02858	1.5
91.05378	1.0
95.01254	6.3
95.04890	2.4
97.02813	1.8
98.19844	1.1
99.00764	1.9
101.05952	21.3
107.04906	1.2
109.02843	1.7
109.06487	4.4
111.04376	0.9
111.08054	2.0
115.53182	0.8
127.00253	1.1
135.08032	1.0
137.02318	0.9
139.07547	3.4
147.07980	0.9
149.09644	1.0
151.03883	0.8
163.03876	1.7
198.08922	0.7
211.09665	3.8
218.64294	0.8
227.14125	1.2
247.09673	1.1
267.13864	1.1
285.15054	1.1
295.17014	0.8
347.18677	2.2
389.19647	7.1
395.14771	1.1
397.20062	3.5
407.18546	2.0
411.14471	0.9
415.21103	1.7
425.19565	5.6
441.19168	1.6
443.20648	17.5
444.20953	1.7
459.20184	2.2
473.25311	3.6
481.25653	2.7
487.19702	3.0
499.27060	1.4
527.26465	16.5
527.33868	1.6
528.26764	3.1
543.26099	9.6
544.26184	1.3
571.25476	25.1
572.26141	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	631.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	11.1
60.57235	0.4
61.90600	0.4
61.98703	3.7
71.52391	0.6
71.52829	0.8
72.99168	2.4
73.02828	0.9
75.00744	100.0
76.01082	0.8
97.02702	0.4
101.05965	1.6
127.92099	0.5
146.02333	0.5
198.09337	0.7
216.00662	1.2
443.20862	1.7
602.16376	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.4
59.01247	100.0
60.01594	1.1
60.74878	0.3
64.07370	0.3
67.01775	0.4
67.17225	0.4
68.99693	1.6
69.03333	0.8
71.01263	1.4
71.07579	0.3
71.07912	0.8
83.01240	0.4
83.04914	0.5
85.02815	0.5
91.05419	0.6
95.01266	2.7
95.04900	0.7
97.02814	0.9
98.05828	0.3
101.05288	0.7
101.05956	14.2
102.06226	0.5
107.04953	0.4
109.02828	0.6
109.06521	1.4
111.08121	0.4
121.06487	0.4
127.00224	0.5
135.04440	0.8
137.63361	0.3
139.07567	1.1
152.10277	0.4
163.03902	0.4
165.05571	0.4
199.07452	0.5
295.16885	0.4
323.16602	0.7
347.18845	0.4
389.19806	1.4
397.20096	0.6
411.14355	2.9
415.21350	0.5
425.19824	1.2
443.20676	5.2
444.21371	0.4
459.20361	1.3
469.22446	1.2
473.25595	0.5
487.19586	0.6
513.21179	1.8
514.21423	0.4
527.26428	7.3
528.27106	1.3
543.25873	4.4
544.26477	0.8
571.25439	10.7
572.25421	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	631.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.5
58.00445	0.4
59.01254	6.4
61.98711	1.4
64.84434	0.3
65.00196	1.6
67.01757	0.8
69.99545	1.2
71.01244	2.1
72.99181	0.8
73.02824	2.4
78.82672	0.3
83.01266	0.8
85.02827	1.3
87.00764	0.5
89.02339	0.9
93.03336	1.7
95.01225	0.3
96.95925	0.4
97.02833	3.1
97.06484	0.3
99.00763	0.7
99.04416	0.6
101.02335	1.5
101.15356	0.3
102.54111	0.3
105.87312	0.3
108.02049	0.7
111.00768	7.0
113.02338	1.1
116.92747	0.8
117.03340	0.5
118.86573	0.3
119.04917	94.7
120.05246	3.2
121.02863	0.6
123.04450	0.4
125.02353	0.5
129.01904	0.4
137.02322	0.5
139.03944	0.4
143.03394	3.8
149.02385	0.6
149.06030	0.3
149.09612	0.4
151.00253	0.4
151.03867	0.4
153.01848	0.6
160.03992	0.4
163.03920	100.0
164.04251	3.5
165.03918	0.6
169.01337	12.7
169.02805	0.6
170.01711	0.6
175.00229	0.4
175.03934	0.4
176.04739	0.6
187.02390	2.5
190.02655	1.0
195.13802	0.5
205.05025	1.0
241.14352	1.6
265.14215	0.4
269.04489	0.8
271.06195	0.4
285.04184	0.3
308.65271	0.3
325.09268	2.1
355.56918	0.3
443.13461	5.1
444.13809	0.7
527.25647	0.6
587.30994	0.4
602.39966	0.3
631.24963	1.0
632.34045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30640	1.0
55.01739	1.1
57.03313	3.7
57.97697	1.2
59.01247	18.8
69.03309	1.6
69.22034	0.9
69.22575	11.0
69.22899	1.5
71.01247	17.7
71.38395	1.1
72.99165	2.1
73.02803	3.0
83.01265	1.5
85.02822	15.9
87.00739	1.4
89.02306	5.8
93.02763	2.2
93.03330	27.6
94.97974	1.1
95.01253	9.3
99.00748	2.0
101.02314	9.1
103.03883	22.5
106.04149	1.3
107.04896	3.2
108.02045	61.0
109.02850	26.5
113.02319	6.4
119.03374	1.7
119.04916	1.0
121.02824	2.8
123.00739	1.6
123.04375	1.8
125.02296	1.6
133.02853	2.4
135.00739	4.3
135.04417	3.1
136.01552	30.7
137.02341	30.4
151.03838	4.1
152.01054	68.0
153.01842	29.2
159.08051	3.0
160.03905	2.6
161.04428	1.3
163.03860	2.9
165.01828	2.3
166.16623	1.2
175.11140	2.6
177.01830	26.7
177.09058	2.2
178.02220	1.7
179.03401	38.2
180.03693	1.8
203.07082	6.8
217.08569	1.7
239.05475	2.6
247.08018	2.1
265.09314	6.3
285.04166	1.8
291.32248	1.0
307.15393	5.6
315.07181	77.1
316.07718	5.3
339.07187	40.8
340.07547	2.9
349.16418	2.6
383.06158	38.2
383.13318	5.4
384.06268	2.3
401.07278	8.7
402.07083	1.5
451.16086	4.9
495.54196	1.2
587.23932	1.2
615.82532	1.1
628.36353	1.1
631.22314	100.0
632.22858	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	11.0
61.98706	5.8
65.03819	1.1
70.06778	4.6
71.67793	1.1
79.05410	7.1
92.04926	12.8
93.03344	4.5
98.20126	2.9
101.02262	1.5
101.05943	2.8
107.04897	2.1
116.04941	4.8
130.04120	2.0
131.03644	29.1
131.04558	2.3
132.04472	8.9
136.03967	2.4
144.04442	93.1
145.04768	5.1
145.06490	2.2
147.08043	1.3
150.05508	4.1
155.07297	6.7
156.04474	2.9
156.05748	1.2
157.05211	2.0
157.06401	1.5
158.06009	9.2
159.23283	1.1
167.05994	7.6
170.06006	2.8
170.09618	3.3
171.08034	1.4
172.07561	2.6
175.07579	2.9
176.07082	2.4
180.08087	8.0
182.04645	1.7
182.06078	2.1
183.08157	1.6
184.07509	5.5
185.08334	6.3
190.08614	1.8
194.05959	5.9
196.07614	8.6
197.08325	1.9
198.09160	96.9
199.09488	14.0
202.08624	2.1
208.07545	2.3
210.09160	1.8
214.08655	6.5
218.08130	2.0
220.07518	1.3
222.86664	1.1
224.07066	2.8
224.10703	3.2
226.08553	2.1
230.08096	2.4
231.10217	4.7
232.09712	15.5
234.05487	2.6
236.07141	2.2
238.12236	1.3
246.11230	2.3
247.06248	1.3
248.07124	17.8
249.07848	12.3
250.08186	1.3
252.06531	1.4
254.08090	1.6
256.09778	1.2
266.15424	7.4
268.06329	6.8
269.06973	4.6
270.08160	1.4
275.08347	4.9
279.05334	1.3
281.06906	33.5
282.07324	3.6
287.08215	26.1
288.08450	1.6
292.09647	5.2
293.09302	100.0
294.09610	8.1
296.09326	1.8
304.08615	1.2
305.09399	1.8
305.14325	1.4
306.10342	1.6
307.10794	4.5
309.10132	1.7
310.14536	1.8
312.10117	2.0
314.11734	2.2
316.36310	1.4
318.09824	1.2
321.10141	1.7
323.11823	2.7
325.09818	1.7
327.11465	2.2
329.12924	1.8
330.11362	2.9
331.11044	2.3
345.12634	2.1
347.14008	2.1
349.13141	2.1
357.12634	6.1
358.12698	2.7
359.14139	6.1
364.15781	4.2
369.12634	1.3
375.13480	24.1
376.13956	3.2
377.15009	3.3
379.18155	7.9
380.18457	2.7
387.13425	2.6
389.14847	2.1
397.19183	49.2
397.24463	2.3
398.19501	8.7
401.18817	2.0
413.18478	2.8
431.19687	6.9
435.20676	1.3
449.22412	2.7
467.23422	4.0
469.25043	2.7
479.23456	1.8
490.17874	2.7
497.24194	1.6
502.17221	1.8
520.19000	7.7
521.19214	1.7
527.26373	1.9
548.40308	1.4
571.25159	5.3
582.27570	8.7
583.27814	4.2
594.27594	4.7
600.28442	8.3
601.28595	2.7
612.28668	5.3
613.29034	2.4
630.29626	32.4
631.29956	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	629.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.6
59.56444	0.4
61.98689	2.1
65.03828	1.1
71.52338	0.5
71.52701	0.8
77.80473	0.4
79.05403	1.7
85.49448	0.6
87.31355	0.5
88.42312	0.4
92.04936	3.7
109.02872	0.4
113.68647	0.5
115.04645	0.5
115.05420	0.8
116.04935	1.5
120.04425	0.5
121.95292	0.5
130.04112	2.9
131.03647	8.8
131.04881	1.4
132.04449	1.9
142.06468	0.5
142.66678	0.5
143.04900	2.9
144.04453	27.9
145.04770	0.9
145.06480	1.6
149.06042	1.1
154.06514	0.7
155.07277	2.1
156.05695	1.4
157.05261	1.2
157.06474	1.1
158.05980	2.9
167.04922	1.1
167.06122	5.1
170.05957	1.1
170.09674	1.0
171.08076	1.1
171.10165	1.2
172.07498	0.9
180.08122	2.4
181.05118	0.9
182.04703	0.8
182.06087	1.5
183.08125	3.0
184.07516	1.0
185.08304	1.4
185.09724	1.1
194.05887	2.3
195.06505	0.7
195.08109	1.7
196.07550	3.7
197.08066	0.6
197.09700	0.6
198.09175	29.5
199.09584	2.2
201.09238	0.8
207.08218	1.0
208.07632	0.8
211.13373	1.8
213.09160	3.5
217.08679	0.8
225.09105	0.7
227.10753	0.7
229.08604	0.8
231.10223	12.5
232.10576	1.0
235.07443	0.6
237.09290	0.6
241.07706	1.0
245.08417	0.7
245.11734	1.0
246.09244	1.4
253.08682	0.7
255.06836	1.5
256.07678	6.3
257.08133	0.8
259.06311	1.0
266.15439	2.1
266.76642	0.6
268.06488	3.5
269.07214	1.7
270.07901	0.8
273.07947	0.6
274.08740	12.2
275.09030	1.5
287.08243	13.5
288.08731	1.3
290.08344	1.0
292.09790	100.0
293.10110	11.0
305.71606	0.5
306.11325	0.9
309.10449	0.6
326.11746	0.6
328.13422	1.0
330.11411	0.7
338.11996	0.8
340.13257	1.5
344.12878	1.9
356.12851	3.7
357.13239	0.6
358.14407	2.0
364.15778	0.9
370.14175	0.9
372.12524	0.7
374.13916	6.7
375.14468	0.7
376.15656	1.1
379.18250	1.1
380.13391	0.5
386.14050	1.2
388.15558	1.3
397.19232	8.2
398.19281	1.3
400.19409	0.6
401.19159	0.6
466.23950	1.2
489.18158	2.0
501.18094	1.6
512.45758	0.5
519.19305	6.3
520.11542	0.5
520.19720	1.8
569.28333	1.2
581.27704	1.4
599.29456	2.9
611.29065	1.7
629.30151	13.1
630.30597	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	629.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61491	1.3
59.01246	95.6
68.83366	1.3
98.19777	3.3
110.66933	1.4
111.52812	1.1
119.07014	4.7
131.04880	2.8
147.04388	5.3
174.03146	3.1
175.03917	68.2
176.04289	4.4
203.03308	2.4
206.02156	2.3
209.80911	1.3
227.07021	3.8
229.08664	3.4
245.08211	7.1
405.63269	1.6
413.01306	1.6
449.26923	1.7
451.74481	1.6
467.27985	100.0
468.28366	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	629.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25336	1.4
59.01241	2.6
61.98706	3.2
65.03830	1.5
70.86349	2.9
75.00736	2.1
79.05398	3.6
80.50568	1.3
92.04938	10.1
101.05952	3.6
115.05411	2.3
116.04915	1.8
119.04939	1.6
130.04123	6.0
131.03654	17.8
131.04863	5.2
132.04417	4.7
133.06538	1.7
136.03978	1.5
143.04913	4.1
144.04457	67.4
145.04802	1.5
145.06474	3.9
149.05959	3.9
155.07318	5.9
156.05699	1.9
156.52080	1.3
157.05302	3.2
157.06511	2.9
158.06007	6.4
161.84055	1.5
166.06583	1.6
167.04813	2.5
167.06044	5.9
170.09581	2.6
171.08054	3.6
172.07578	4.0
173.05922	1.7
175.07597	1.8
178.69604	1.4
180.08109	6.5
181.06488	2.5
182.06026	2.9
183.08064	10.3
184.07608	3.0
184.64217	1.3
185.08310	3.2
185.09763	2.8
194.05978	6.7
195.08075	5.3
196.07616	6.5
198.09163	69.6
199.09532	5.0
207.08150	1.9
208.07904	1.7
211.13309	1.9
213.09113	10.1
217.08829	2.9
224.10712	2.8
226.08754	1.5
231.06750	2.1
231.10193	38.5
232.10503	2.9
236.10864	1.8
237.09181	2.1
251.07301	1.5
255.10332	1.7
256.07565	7.2
266.15503	3.5
268.06503	4.8
269.07144	2.4
274.08737	11.3
275.09143	1.8
287.08267	18.1
288.08255	1.7
288.28131	1.4
290.08237	3.7
291.13943	1.7
292.09805	100.0
293.09787	11.4
296.10947	2.1
303.09070	1.9
305.10629	2.9
306.11472	2.5
309.15109	2.1
320.13177	1.8
325.10031	2.0
328.13385	2.1
330.11139	2.3
338.11749	2.1
339.12155	2.0
340.13342	4.0
344.12921	4.6
356.12961	9.9
358.14297	2.2
364.16031	2.8
368.12967	1.6
370.14200	1.9
374.13983	14.2
375.14175	2.9
376.15433	2.8
379.18475	6.9
397.19156	37.3
398.19452	4.4
399.18500	3.0
400.19461	3.5
411.92813	1.7
412.19019	2.8
429.19101	1.9
430.19891	8.8
431.20337	2.0
466.23868	3.1
478.23798	2.4
489.18369	3.0
496.24869	3.2
501.18143	2.3
519.19086	10.5
569.28119	3.1
581.28137	5.5
582.26923	2.1
593.27618	2.3
599.28931	7.0
600.29706	2.1
611.29016	6.1
612.29584	1.9
629.30048	30.4
630.30591	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	628.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88753	1.4
58.02847	24.6
59.01245	15.7
70.02847	2.9
70.85665	4.1
71.01251	5.0
72.99198	1.8
75.50803	1.4
83.32357	1.4
84.64449	1.6
85.02827	4.1
101.02293	3.4
138.60608	1.6
147.04443	11.6
164.07076	45.8
165.07359	1.9
170.30936	1.6
179.03467	1.9
180.04007	1.7
195.06595	2.7
206.08151	100.0
207.08513	6.8
265.09180	2.6
508.11441	2.2
628.19684	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	627.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.7
56.21224	1.2
57.03325	5.8
58.00470	2.0
59.01250	90.6
59.46464	1.3
61.98710	7.0
65.00210	1.6
69.03305	1.7
69.32570	4.1
69.32996	6.8
71.01252	32.3
72.99184	10.9
73.02814	8.7
75.00751	3.9
78.95770	16.2
83.01259	9.5
85.02815	18.6
85.99973	3.7
87.00746	3.5
89.02327	3.9
93.03347	2.3
95.01269	2.9
96.55166	1.1
96.95888	1.8
96.96843	3.3
97.02794	2.1
98.99796	1.4
99.00753	34.2
100.01540	2.7
101.02319	19.4
111.00756	17.6
111.04408	2.0
111.86662	1.4
113.02342	8.5
113.99472	66.8
115.00243	4.1
117.01831	2.0
119.03387	2.8
119.04917	1.4
121.02843	2.1
124.01595	2.0
125.02312	3.5
128.01039	3.9
129.01854	13.1
131.18153	1.2
143.03448	1.9
147.02840	2.6
151.00204	1.5
151.04027	1.2
152.01105	1.2
152.99474	22.5
156.00546	33.8
157.01001	1.9
161.04413	1.6
171.10155	2.4
174.01614	33.7
174.03120	2.1
175.01962	2.0
183.13828	1.4
197.11749	3.3
199.13345	3.3
209.11728	6.1
211.13310	4.9
223.00032	1.3
241.01070	6.1
245.08134	5.6
269.04391	1.7
293.21140	3.8
311.22266	8.6
315.04828	3.4
316.47327	1.4
317.20923	1.9
319.22800	3.2
323.22195	1.9
421.25839	1.6
437.25299	1.4
439.26892	1.9
440.43594	1.4
449.25134	2.6
451.26730	1.6
463.27008	3.7
467.26486	6.1
469.27921	4.2
479.26416	7.0
481.28342	5.4
485.27573	2.5
493.27762	3.1
497.27420	8.9
505.28268	1.9
507.26016	3.9
509.27521	66.5
510.27863	9.2
511.29282	3.8
523.29211	4.7
525.26953	2.6
527.28583	30.6
528.29004	4.8
547.28729	1.5
549.26801	1.7
567.28052	100.0
568.28314	16.0
579.28192	7.7
584.28680	1.9
591.28180	2.5
609.29291	3.0
627.27698	31.8
627.37244	3.6
628.28638	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	627.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.7
61.98683	1.1
70.39040	1.5
70.39434	1.6
71.01243	2.0
77.58579	0.7
79.05399	1.6
81.00592	0.6
82.32058	0.7
92.04919	3.9
93.03342	0.9
96.45108	0.7
96.60312	0.6
96.65024	0.7
98.19872	0.7
131.03673	3.8
132.04463	0.7
143.04929	2.4
144.04469	7.4
147.04425	4.6
147.18649	0.6
155.07320	1.5
156.05736	1.2
158.05992	2.4
160.05190	11.3
161.05807	1.4
167.06050	1.4
169.06474	3.0
170.05983	1.7
171.04413	1.1
171.08051	1.5
173.05977	4.3
180.05742	2.6
180.08081	2.2
181.06531	2.4
182.07332	1.3
183.08092	1.2
184.05238	2.7
184.07631	1.2
185.06030	0.8
186.06776	2.2
187.07574	1.8
192.04202	7.9
194.06006	1.5
196.07570	1.6
197.06026	7.5
197.11787	0.9
198.09164	15.5
199.07608	8.6
199.09351	0.8
201.09245	5.2
201.10962	1.1
208.07401	0.7
209.06039	0.9
210.06873	1.3
211.07590	3.7
211.13362	0.7
214.06271	1.1
215.06989	1.3
216.51266	0.6
223.04076	0.6
223.07599	1.7
227.07083	1.7
229.08650	100.0
230.09004	6.6
244.07608	1.8
251.07280	1.3
253.08641	2.8
266.15488	0.9
268.06454	0.9
272.07123	3.8
285.06891	0.8
287.08200	5.3
288.06619	1.8
289.07120	0.6
290.04938	1.6
290.08224	32.2
291.08624	3.1
292.09818	1.8
302.08041	1.0
303.09012	1.5
304.09787	1.3
311.54825	0.7
316.06250	0.8
328.09705	0.8
336.10321	1.2
344.12357	0.7
346.10776	1.0
354.11411	2.8
355.11819	0.9
356.12811	2.3
372.12378	6.0
373.12778	1.1
374.13821	0.9
379.18234	1.2
384.12262	1.8
385.12723	0.8
397.19382	3.6
427.17819	2.5
428.18338	3.3
454.20303	1.0
464.22775	0.8
466.23624	0.9
476.21829	0.7
487.16711	2.4
494.23209	0.8
499.16891	1.6
517.17804	6.4
518.18250	0.9
551.25671	0.8
579.26465	1.7
591.26538	1.0
597.27472	3.2
609.27466	4.3
623.49103	0.8
627.28357	20.3
628.28748	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	627.2095
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
59.01261	1.0
59.46417	0.4
65.15117	0.3
69.52267	1.1
69.52707	1.3
73.02840	1.3
113.90060	0.3
120.77601	0.3
121.02866	0.8
122.03118	0.4
207.29277	0.3
210.69569	0.4
272.14865	0.4
357.21030	0.4
437.12192	1.8
438.13037	2.2
439.13699	0.5
450.13443	0.5
451.13968	1.6
452.14908	5.3
453.15128	1.3
455.09967	0.4
465.15744	1.2
466.16296	1.3
469.11426	0.7
479.17215	1.0
480.14606	1.2
481.14981	11.6
482.15378	2.6
484.13699	0.8
493.15308	1.6
494.15784	0.8
495.16754	21.0
496.17145	4.6
502.14740	0.4
507.16995	1.4
508.17328	2.4
509.18335	2.3
512.13446	1.3
519.16357	0.5
521.14624	1.4
522.15204	0.9
523.16614	1.2
524.18823	0.5
525.14478	0.5
526.14795	1.0
533.18182	0.7
535.16138	2.8
536.16962	3.0
537.17346	0.7
539.15820	0.8
540.16864	4.7
541.16516	0.7
544.16003	0.5
551.19366	50.5
552.19672	12.0
552.33362	0.7
553.17224	0.9
554.17371	1.2
555.19122	1.6
568.15405	0.8
569.16895	0.4
572.15710	2.5
573.15814	0.9
583.21960	0.4
586.16919	2.4
587.16974	0.5
595.18372	10.3
596.18378	2.4
600.18475	0.5
627.20929	100.0
628.21198	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	625.263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.5
59.01249	24.0
60.01593	0.8
61.98701	24.9
67.04292	0.9
69.03303	1.4
71.01250	8.0
71.53554	1.7
72.99158	2.2
73.02810	1.4
78.95771	57.4
83.01241	1.6
83.04884	1.4
83.25660	0.8
85.02825	4.0
87.00748	1.4
88.98668	1.0
89.02303	1.9
93.03313	1.5
96.96848	10.0
101.02313	4.1
108.02045	1.7
109.02848	1.0
109.06493	1.0
111.08047	8.8
112.93600	1.5
113.02328	2.5
119.04895	2.1
121.02821	1.7
149.02339	1.4
149.05962	1.0
150.98030	0.8
151.11166	1.6
152.01031	2.7
152.99492	63.3
153.12750	1.1
155.78073	0.8
160.03938	1.2
161.04504	1.2
164.04707	1.4
169.12282	4.4
171.00562	2.3
171.10167	0.9
173.09633	1.0
175.00230	1.2
181.12216	1.6
191.03381	0.8
195.96283	0.8
197.11761	41.6
198.12030	3.0
199.13264	2.3
205.05060	1.4
209.11732	3.2
211.13338	4.4
223.00055	6.7
227.07071	3.0
227.12852	1.4
240.98810	1.7
241.01157	25.1
259.02267	1.8
263.20084	1.8
291.19647	4.7
291.22546	1.1
309.20706	17.5
310.21069	1.6
315.04843	7.9
333.05997	1.5
390.36447	1.0
397.14395	1.1
581.23981	2.0
625.26141	100.0
625.33704	4.8
626.26495	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.6
59.01248	25.2
61.98699	17.7
69.03310	1.3
71.01247	8.8
71.52599	1.0
71.53014	1.2
73.02795	2.5
74.50029	1.0
74.98955	1.4
75.00732	0.9
78.95773	59.5
79.95605	1.3
80.96368	1.6
83.01244	2.6
83.04854	1.8
85.02809	3.6
87.00733	1.8
89.02285	3.1
93.03316	2.2
96.95870	3.9
96.96845	9.8
97.02805	1.3
99.00739	1.3
101.02293	4.3
107.04884	1.3
108.02045	1.9
109.06407	1.6
111.08041	11.4
113.02275	3.8
119.03384	1.3
119.04906	3.4
121.02855	1.7
125.02321	1.0
137.02332	1.1
149.02287	1.2
151.00275	1.4
152.00948	1.4
152.99490	69.1
153.01553	2.1
153.12769	1.5
161.04364	1.2
163.03870	1.0
165.05276	1.0
169.12231	3.8
171.00479	1.5
171.10182	1.2
183.13805	1.3
197.11751	43.7
198.12050	1.9
199.13206	1.3
209.11745	5.4
211.13272	4.2
217.05081	1.0
223.00105	5.7
227.12863	1.2
241.01134	22.4
255.88737	1.0
259.02188	2.0
263.20123	1.3
265.18195	1.1
273.14804	1.3
291.19556	3.8
309.20703	17.6
310.20770	1.8
315.04834	11.2
333.05920	1.4
359.46658	0.9
421.16302	1.2
625.26074	100.0
626.26306	15.5
626.34729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16949	0.8
59.01251	11.5
60.86702	0.9
61.98698	10.6
63.42863	0.9
66.34484	0.9
67.60005	1.0
68.89322	1.0
70.49227	3.4
71.01239	2.9
73.02824	1.2
78.95777	61.7
80.91527	1.0
81.03320	1.5
83.01248	4.2
83.04897	2.6
91.81245	0.9
96.95875	1.1
96.96827	9.1
97.02779	1.1
97.06487	2.2
101.02347	1.6
119.04890	3.6
121.02865	2.1
123.04439	1.5
123.08013	2.1
125.05975	1.2
125.09642	5.7
139.11183	4.2
143.03360	1.0
147.08133	1.1
151.00305	1.0
151.11282	1.1
152.99490	63.8
161.04233	1.0
163.11192	4.7
165.12749	7.2
167.10654	1.9
171.00522	1.6
171.10173	1.5
181.12228	2.6
191.10670	2.4
193.15910	2.2
199.26215	1.1
201.11261	1.8
207.10129	1.5
209.11768	21.5
210.12042	1.5
211.13310	1.8
223.00021	6.7
228.72694	1.1
241.01154	21.9
247.20667	5.0
252.04997	1.0
259.02133	1.8
271.06097	1.9
281.21246	1.1
283.09723	1.9
291.19650	23.7
292.19949	2.8
309.20728	13.9
310.21063	2.3
315.04819	11.6
333.06021	2.3
393.20950	1.0
421.16437	2.4
428.62674	1.0
530.46661	1.0
559.01569	1.2
625.26202	100.0
626.26544	16.2
626.36249	1.3
648.94653	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.9
57.03294	8.8
58.00443	2.0
58.35769	1.9
59.01248	78.3
60.01562	2.5
61.98700	72.0
62.98369	1.8
64.56466	1.7
71.01250	44.7
71.52709	3.8
72.99176	3.0
73.02819	11.1
74.98952	4.7
79.95554	2.5
80.96382	4.6
83.01227	6.4
83.98991	3.2
85.02822	15.3
87.00728	5.4
89.02320	25.2
93.03339	13.1
93.03823	2.6
95.01232	5.7
96.95824	1.9
99.00743	3.6
101.02320	25.1
103.03887	2.1
109.02827	4.1
111.00743	3.3
113.02322	16.6
119.03391	9.9
119.04897	4.4
121.02792	8.1
122.03475	2.3
125.02305	3.0
125.09559	2.3
125.44306	2.1
134.03696	2.2
135.04375	5.8
136.99019	2.6
137.02325	4.9
137.05916	2.5
143.03395	2.5
145.81801	2.2
147.04395	2.7
148.01479	2.2
149.02333	21.8
150.03062	3.8
150.20789	2.0
151.00272	3.5
151.03923	3.4
151.11115	3.1
152.01031	4.1
153.01884	2.3
153.05344	2.1
160.03865	3.1
161.04393	7.1
163.03841	4.6
164.04694	16.8
165.05354	4.2
175.00208	7.2
176.01085	9.9
177.01656	2.3
177.12784	24.5
179.06998	2.6
190.01241	2.6
190.02626	26.8
191.03409	13.7
191.05052	2.7
195.13719	4.1
204.01042	6.8
205.05003	26.8
206.05643	2.3
208.03687	2.6
221.11649	2.0
223.06119	18.9
225.14899	2.7
239.12758	5.9
241.14241	4.0
265.06940	2.8
268.03662	2.4
269.04364	5.7
271.02313	2.0
281.79721	2.2
284.03625	2.8
285.03534	2.4
287.16504	4.5
297.11685	2.8
299.01834	2.9
301.03220	2.5
307.01871	2.1
333.11707	3.3
353.10535	2.7
387.16318	2.3
401.18085	19.3
419.13840	3.4
419.19208	60.0
419.50259	1.9
420.19357	7.0
504.32632	2.2
505.33670	20.1
509.23608	3.3
523.34595	2.6
581.22931	2.5
607.24042	4.9
625.24805	100.0
626.15698	3.5
626.24908	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.98701	54.6
70.34569	2.4
70.34916	6.9
71.01250	10.7
72.99155	2.4
73.02814	4.7
78.95775	9.5
79.95584	2.2
83.01246	2.4
83.04913	3.0
85.02838	4.4
89.02309	4.7
96.95889	3.1
99.00764	2.5
101.02351	5.2
104.39425	2.2
113.02319	4.1
119.04891	3.1
121.02848	4.3
125.09574	2.5
126.16850	2.2
133.05980	2.3
152.99461	7.1
163.11140	3.6
169.12181	3.1
171.10170	7.9
179.15935	2.2
182.56577	2.1
197.11746	33.4
201.11171	2.8
209.11787	33.6
235.13368	4.6
241.01112	3.4
253.09174	3.5
284.24448	2.2
299.01636	3.1
305.17575	2.7
329.51172	2.2
332.44202	2.3
371.22061	2.8
371.51794	2.5
389.23450	5.3
607.30823	7.2
625.24390	19.8
625.34674	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	625.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98703	69.3
71.01246	13.0
71.52597	2.5
73.02821	4.1
75.97572	2.3
78.95778	9.0
83.01274	3.0
83.04904	2.9
84.20728	2.4
85.02812	6.1
89.02306	4.6
96.95870	3.0
96.96812	3.5
97.06441	3.1
99.00744	2.4
101.02324	11.4
101.05996	2.4
113.02300	5.8
119.04875	4.3
125.02391	2.5
125.09605	3.0
152.99481	6.9
161.04448	4.8
163.11118	2.7
169.12151	4.1
171.10179	12.2
173.62234	2.7
190.02614	2.5
197.11760	43.8
201.11250	5.7
209.09949	2.7
209.11792	41.4
211.32451	2.2
235.13319	5.4
253.09380	4.3
264.59888	2.9
270.04141	5.2
296.73264	2.8
366.64832	2.4
367.92343	2.4
381.23117	2.4
389.23181	5.6
457.01935	2.4
467.47791	2.4
607.31635	4.8
625.24664	17.0
625.34802	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	625.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	9.7
59.01252	55.4
61.98695	8.6
69.03308	3.0
71.01251	24.3
72.99192	4.0
73.02815	6.2
75.00712	2.0
83.01260	3.3
85.02827	16.6
87.00744	5.7
89.02308	7.6
93.03323	8.9
95.01259	5.6
97.02824	2.7
101.02322	12.1
102.98441	1.9
103.03889	4.2
108.02051	63.0
109.02868	26.8
111.00785	3.1
113.02338	12.8
119.03386	2.6
119.04913	6.6
121.02840	5.8
123.00752	4.2
123.04387	12.2
125.02322	3.4
133.02876	6.1
134.03583	2.7
135.00780	4.9
135.04431	4.8
137.02325	8.8
137.09618	2.6
145.02850	2.7
149.02338	3.4
150.03094	4.2
150.72168	2.2
151.03874	4.4
152.01050	85.2
153.01840	39.1
153.05453	21.5
160.03986	3.2
161.04433	3.3
163.03888	5.5
163.07607	2.0
165.01801	3.7
165.05519	4.1
165.12857	3.6
173.04504	2.6
177.01854	38.2
177.12698	2.5
177.31978	1.9
178.02158	2.6
179.07092	2.2
189.09085	4.8
190.02631	3.2
191.03397	2.1
195.13835	25.0
205.05017	5.8
205.12148	2.2
241.14406	82.0
242.14734	4.6
247.13539	3.8
265.14334	13.4
269.04584	6.6
284.99084	2.1
315.07211	100.0
316.07547	6.5
339.07172	60.5
339.10791	1.7
340.07529	3.9
347.95969	2.4
357.08154	5.9
357.12146	4.1
359.27939	2.2
361.29437	3.3
383.06149	62.4
383.09897	3.1
384.06555	6.1
401.07126	24.9
419.24835	2.2
505.33847	20.6
521.33154	6.4
523.34790	4.7
553.30255	10.4
579.45557	2.4
581.29681	9.6
625.28107	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.8
65.00179	2.1
71.01239	3.6
71.07871	2.3
80.32642	1.1
83.01216	1.3
85.02851	1.5
85.61599	1.0
85.92554	1.1
89.02283	1.9
93.03363	1.4
99.01830	1.1
100.75558	1.1
107.01234	1.1
108.57997	1.0
109.02811	1.8
109.99960	1.1
111.00754	2.2
113.02281	1.2
121.02861	1.2
123.04333	1.5
125.02322	1.8
133.02824	1.4
137.02271	1.7
139.00256	2.9
151.00281	6.1
152.01006	1.9
161.64206	1.0
163.00226	1.7
164.12521	1.2
165.01727	1.1
165.99025	2.5
166.99738	1.6
178.99744	3.6
193.01384	1.5
199.04021	1.7
201.05377	1.3
209.11726	1.3
215.03442	2.4
227.03374	4.5
243.02963	11.3
254.02026	1.5
255.02968	16.2
256.03494	2.2
270.99460	1.5
271.02460	55.2
272.03085	9.9
299.01941	59.9
300.02704	46.6
301.03494	49.2
302.03821	4.7
338.36493	1.0
462.08075	14.2
463.08786	100.0
464.08954	11.4
489.50031	1.2
503.54309	1.2
505.09726	3.0
625.13989	47.0
626.14319	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	625.1409
Annotation	Gossypetin 3-rutinoside
Peak:m/z	Relative Intensity
57.03316	2.2
59.01247	19.3
61.98681	1.3
63.02262	3.7
65.00191	9.6
67.01735	2.4
71.01252	12.3
71.52477	1.5
72.99169	1.7
73.02814	5.5
75.00705	1.1
83.01270	5.4
85.02831	5.7
87.00740	2.4
89.02312	5.0
93.03330	8.2
94.61124	1.0
95.01250	5.0
96.95879	1.6
98.33109	1.4
99.00761	2.2
99.04344	1.0
101.02318	7.4
103.03854	1.8
106.00449	1.1
107.01272	10.5
107.04914	1.1
108.02042	3.0
109.02818	3.1
110.00003	1.5
111.00758	14.7
113.02350	4.6
117.03362	5.5
119.03413	1.2
119.04912	2.2
120.99522	1.2
121.02845	3.8
122.03588	1.3
123.00758	6.2
123.04408	1.5
124.01517	2.7
125.02343	7.3
131.04865	1.7
132.02081	2.0
133.02818	3.1
135.00768	3.1
135.04391	3.2
137.02328	4.3
137.99442	1.8
139.00264	15.3
140.01057	1.4
143.04893	4.1
145.02823	5.7
149.02332	2.6
149.99481	3.2
151.00284	27.3
151.03926	1.7
152.01076	5.9
153.01794	4.3
153.98972	1.3
154.99715	2.6
155.04959	2.5
157.02853	2.2
158.03610	1.7
159.04379	7.0
161.02362	2.6
161.05969	2.1
163.00264	3.1
163.03923	1.8
164.00975	2.4
164.98227	3.0
165.01738	1.3
165.05499	1.1
165.98895	2.1
166.99742	4.4
168.00461	1.6
169.01323	4.8
171.04433	6.7
173.02409	1.1
174.03099	4.5
175.03874	3.0
177.98979	5.4
178.99774	29.0
180.00256	1.7
181.02977	1.3
181.04915	2.0
181.77638	1.2
182.03589	1.7
183.04431	4.4
185.05939	1.6
187.03932	7.4
189.01811	1.3
189.05455	3.9
191.33542	1.1
193.01346	2.6
194.99301	2.4
197.15382	1.3
198.03160	1.3
199.03955	8.0
201.01805	1.9
201.05495	1.4
203.03415	3.3
206.99234	3.1
208.00035	1.9
209.00900	2.3
209.11752	2.0
213.01866	1.7
214.02646	3.6
215.03401	6.3
216.04037	3.1
217.04990	16.6
219.02887	1.5
227.03444	10.5
229.01372	1.8
229.05006	2.0
231.02950	5.5
239.12718	1.3
241.01372	2.1
241.14337	1.2
242.02126	3.9
243.02942	14.2
244.03639	2.2
245.04495	3.5
255.02956	26.3
256.03397	3.6
259.02405	9.0
265.09341	2.0
270.01697	5.8
271.02454	50.7
272.03085	9.1
273.04074	10.4
283.02466	5.4
284.03174	7.2
285.03934	10.3
287.02011	14.4
288.02615	2.6
289.03522	1.9
289.14331	3.1
295.10303	3.2
298.01157	2.3
299.01944	77.5
300.02505	10.2
301.03546	9.8
315.01547	2.2
315.07181	1.6
316.02197	38.2
317.02924	24.0
447.09033	1.4
505.12158	2.5
513.12323	5.0
517.12244	2.7
520.31732	1.2
521.33118	7.3
525.16064	4.7
565.22693	5.1
579.13666	1.6
581.14874	3.7
581.35016	1.7
583.23340	3.1
597.14594	3.0
607.13037	7.6
608.13837	2.6
625.14044	100.0
626.14532	14.5
626.25531	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.14
Annotation	Gossypetin 3-rutinoside
Peak:m/z	Relative Intensity
55.01760	1.6
57.03309	2.6
58.00456	1.4
59.01249	21.2
59.07227	1.1
63.02259	4.2
65.00197	10.8
67.01759	2.1
71.01244	16.0
71.52850	1.1
71.53297	1.8
72.99171	4.5
73.02811	4.4
73.50010	1.1
75.00732	3.0
75.69026	1.2
76.53264	1.2
81.03315	1.2
83.01260	7.7
83.04839	1.2
83.33915	1.2
85.02821	8.7
86.02333	1.4
87.00751	2.8
89.02307	7.1
92.80026	1.4
93.03349	8.7
95.01249	7.0
97.02811	2.0
99.00746	3.6
101.02319	8.8
103.03873	2.5
107.01262	13.0
108.02045	4.1
109.02836	4.2
109.99965	1.8
111.00755	16.5
113.02303	5.2
117.03361	8.2
119.03387	2.0
119.04908	3.9
120.99393	1.4
121.02818	4.5
123.00776	6.9
123.04404	2.6
124.01574	3.1
125.02362	8.3
129.05455	1.5
132.02078	3.0
133.02838	3.8
133.06508	1.4
135.00757	3.1
135.04407	1.9
136.01581	1.2
136.06595	1.2
136.98619	2.7
137.02318	7.6
139.00266	20.2
139.03915	1.3
140.00916	1.6
141.01828	2.9
141.03333	1.7
143.04909	5.0
145.02863	8.1
147.04419	2.1
149.02361	2.0
149.99481	4.5
151.00272	41.7
151.03911	1.7
152.01123	7.5
153.01802	5.7
154.99767	2.3
155.04898	4.2
157.02841	3.1
159.04425	8.0
161.02348	3.2
161.04474	1.7
161.05905	2.5
163.00233	3.6
163.03851	2.6
164.01006	4.1
164.98149	4.3
165.01799	4.1
165.98959	4.7
166.99739	3.3
168.00526	2.9
169.01297	7.0
171.04388	11.4
173.02286	1.9
174.03056	6.2
175.03891	4.6
177.01811	1.7
177.99007	7.4
178.99774	34.0
180.00229	1.4
181.04979	2.3
183.04440	5.4
184.04535	1.4
185.02309	2.7
187.03925	9.0
188.04643	3.3
189.01778	2.8
189.05438	6.1
191.03404	2.0
193.01297	3.9
194.99240	2.2
195.06592	1.9
198.03169	1.7
199.03937	9.1
200.04510	1.4
201.01848	2.0
201.05630	1.9
203.03474	6.1
205.04932	1.6
206.99261	5.0
207.99982	3.3
209.00807	4.6
209.11742	3.5
211.03917	2.6
213.01878	2.2
213.05531	1.6
214.02634	4.3
215.03423	9.7
216.04129	4.9
217.05003	16.3
227.03421	12.0
229.04919	3.8
231.02940	6.1
233.04395	1.5
241.01329	2.8
242.02133	4.8
243.02966	13.8
244.03635	4.1
245.00807	1.8
245.04492	6.1
255.02943	31.4
255.10121	1.7
256.03433	3.6
259.02426	13.0
260.02795	2.1
265.09262	1.7
270.01639	6.4
271.02454	64.8
272.03104	11.0
273.04059	10.3
281.06683	1.6
283.02658	6.2
284.03125	10.9
285.03979	12.6
287.01932	15.2
288.02573	4.8
289.03363	3.5
289.14420	3.3
297.03983	1.4
298.01187	2.9
299.01953	84.6
300.02527	13.6
301.03464	11.1
313.03339	1.4
315.01309	2.1
316.02182	50.6
317.02930	27.8
318.03174	2.8
415.14322	1.3
421.18591	3.8
472.02814	1.3
505.11758	1.6
513.12604	4.1
516.10272	1.5
517.11926	3.4
521.33368	8.9
525.15906	4.2
565.23022	8.6
581.15338	4.5
583.24133	4.8
597.14746	3.8
607.13208	7.6
608.13568	2.0
625.14063	100.0
625.24951	7.8
626.14111	13.9
626.23291	1.6
639.79034	1.6
645.83801	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.1
59.01245	8.1
61.98687	2.5
65.00175	1.4
71.01238	5.9
71.52967	1.2
72.45666	0.8
72.99174	0.9
73.02799	1.5
74.06104	0.9
83.01211	1.4
85.02809	3.6
87.00729	1.4
89.02304	3.0
95.01224	1.6
101.02312	3.0
103.03851	1.7
107.01250	2.5
108.02031	1.6
109.02824	4.0
109.99963	5.4
111.00761	4.0
113.02317	2.3
117.03291	0.9
121.02877	1.1
123.00750	4.0
123.04386	1.0
124.01511	1.0
125.02296	2.4
133.02849	0.9
135.00757	1.1
135.04433	0.9
136.98677	1.6
137.02330	1.4
137.99428	2.4
139.00278	8.5
143.04605	0.9
145.02850	1.3
149.02353	2.1
151.00264	7.8
152.01007	3.9
153.01839	1.9
161.02338	2.3
161.04460	1.4
163.00253	3.5
163.03836	0.9
164.01028	2.1
164.98289	1.1
165.01820	1.0
165.04105	1.0
165.05466	0.9
165.98969	9.2
166.99762	6.1
169.01451	1.0
171.04405	1.2
174.03078	1.7
175.00258	1.5
176.01030	1.3
177.02052	0.9
178.99760	11.0
182.99207	0.8
183.04427	0.9
186.03131	1.2
187.03914	2.8
189.01855	1.9
190.02513	1.1
194.99283	1.1
195.13831	1.6
197.02228	1.1
198.03140	1.2
199.03967	4.3
201.01807	2.8
203.03371	3.3
205.08611	1.2
206.99164	2.0
208.00014	1.2
211.03879	0.9
214.02583	2.2
215.03468	2.1
216.04089	2.1
221.11642	1.4
226.02620	1.1
227.03474	5.7
229.01407	1.0
230.01967	1.4
231.02971	2.5
241.01337	1.2
241.14452	7.2
242.02161	3.2
242.14705	4.7
243.02888	9.0
243.15012	1.2
244.03586	2.5
245.04509	1.6
255.02951	8.1
259.02396	3.5
260.03119	1.4
265.09177	2.6
266.14603	1.2
270.01675	5.7
271.02457	37.4
272.03055	6.0
273.04080	2.4
287.01938	15.3
288.02524	6.3
289.03241	1.4
293.04520	4.5
298.01044	1.7
299.01926	35.7
300.02411	6.5
301.03430	2.3
315.01401	3.2
316.02185	58.8
317.02945	34.0
317.06680	1.7
318.03323	3.0
521.33209	1.5
563.13953	2.5
607.13202	2.5
625.14050	100.0
625.24152	3.2
626.14178	15.5
626.24097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.3
59.01237	4.8
69.03313	1.6
71.01252	6.8
71.17936	1.0
72.99174	1.2
75.00726	3.0
81.03320	1.3
83.01255	2.6
85.02819	2.8
87.00744	2.7
89.02328	2.3
93.03328	8.8
95.01267	3.0
95.04890	1.4
97.02805	2.0
98.20532	2.0
99.00761	1.7
101.02298	2.8
107.01280	2.6
107.04929	2.7
108.02072	1.5
108.83479	1.2
109.02830	7.6
111.00736	2.1
111.04386	1.4
113.02316	1.7
117.03336	10.2
119.04902	2.1
121.02837	5.1
123.00753	3.1
123.04366	5.8
125.02351	7.4
129.01817	1.2
133.02829	4.6
134.03596	1.3
135.00716	1.6
135.04408	5.2
137.02325	11.8
139.00288	1.6
139.03870	3.5
145.02866	2.6
147.04427	2.3
149.02338	7.5
151.00291	3.3
151.03883	6.9
152.01089	2.2
153.01851	5.9
159.04396	1.4
160.04042	1.8
161.02263	6.2
161.04352	1.6
162.03256	1.5
163.00238	3.2
163.03914	7.2
164.01007	1.3
165.01854	7.9
166.02493	1.9
167.03442	7.5
168.00174	1.2
169.06551	1.2
173.06087	1.5
174.03049	1.4
175.03870	4.8
177.01839	11.1
177.05444	2.9
178.02556	1.5
179.03404	6.4
180.00439	1.5
183.02902	1.8
185.06020	1.5
187.03905	2.5
189.01846	5.7
190.02602	2.7
191.03378	8.7
193.01353	6.5
193.05011	2.1
195.02882	2.1
195.04874	1.5
197.06071	1.6
199.03807	1.5
201.01884	1.5
201.05489	2.6
203.03398	4.4
203.92932	1.3
204.00600	1.5
205.01340	7.4
205.04959	3.9
206.02121	2.9
207.02950	6.1
207.04744	1.4
209.04445	3.6
209.11742	1.5
215.03523	2.9
215.71263	1.8
217.01416	3.3
217.05011	2.9
219.02911	7.1
221.00920	1.9
221.04515	3.3
222.01665	1.8
231.02832	2.0
233.00874	1.5
233.04388	3.1
235.02396	9.2
237.03937	3.0
241.05067	1.9
243.06534	1.5
245.04457	2.5
247.02397	4.5
249.03917	2.6
253.05069	2.2
255.03043	1.9
256.03912	1.3
257.04456	3.8
259.06100	1.8
261.04022	3.4
265.03479	4.5
267.06711	1.8
269.04465	4.6
270.05121	2.1
271.02347	1.4
271.06104	3.2
277.03561	5.9
281.04404	2.4
282.05243	2.5
283.06241	6.4
285.04001	6.0
285.07019	1.4
287.05530	2.7
291.05261	1.3
295.04391	3.5
297.04031	4.7
297.07544	9.4
298.04758	1.5
299.02237	1.5
299.05582	3.5
301.03558	2.9
307.04715	1.9
309.04248	1.4
310.04745	1.5
311.05612	8.7
313.03516	2.6
313.07056	1.9
314.04272	4.9
315.04965	4.2
323.05630	5.0
325.06995	4.3
327.05078	4.2
328.05673	3.4
329.06644	2.6
337.03372	2.3
339.05042	9.7
341.06555	4.2
342.03641	3.3
343.04639	5.4
351.04926	2.4
353.06641	23.8
355.04572	4.6
357.06009	5.5
359.08038	1.4
367.04666	2.8
369.05923	8.9
373.05478	2.3
381.06213	2.3
383.07666	6.9
385.05405	14.9
386.06235	1.7
387.07214	4.1
397.05463	2.8
399.06433	3.1
415.06635	11.5
416.07108	1.9
417.08383	1.5
435.10699	1.2
445.07709	5.5
447.09125	1.5
457.07751	1.8
459.09372	8.2
461.11041	2.8
462.07932	1.8
463.09048	2.1
473.10876	22.7
474.10974	2.6
475.08810	2.3
477.10175	2.1
487.08896	4.9
489.10440	3.0
505.09830	43.9
506.09949	5.8
517.10077	2.1
535.10126	6.1
591.13220	9.5
592.14111	11.7
607.12964	5.0
625.14069	100.0
626.14343	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	625.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90631	0.7
59.01236	0.8
60.66319	0.7
65.00199	1.5
66.42831	0.7
69.58833	5.5
73.13913	0.8
74.15371	0.8
83.01234	1.1
94.03698	0.7
98.16534	0.7
107.01235	1.9
109.02804	1.4
121.02844	1.6
138.01324	0.8
151.00264	9.9
160.03989	1.1
163.00233	1.5
171.04353	1.4
173.02448	0.8
175.00294	1.2
175.03848	1.0
178.99773	2.1
187.03951	1.4
199.03900	5.3
201.01804	2.3
203.03358	1.0
211.03926	1.0
215.03445	3.4
226.02727	1.4
227.03439	5.0
242.02097	0.9
243.02980	6.5
254.02248	1.3
255.02960	3.9
271.02469	89.7
272.02820	6.2
299.01950	100.0
300.02499	18.6
301.03503	47.4
302.03824	3.1
451.47729	0.9
455.14322	0.8
462.08060	24.1
463.08798	35.4
464.09009	3.7
522.93848	0.9
625.14069	71.4
626.14307	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	625.1408
Annotation	Gossypetin 3-rutinoside
Peak:m/z	Relative Intensity
58.16903	0.6
59.01249	6.9
61.98703	1.8
65.00191	2.4
68.99699	0.7
71.01253	5.3
72.99178	1.3
73.02824	1.4
75.00764	0.7
83.01252	1.6
85.02818	3.0
87.00738	1.2
89.02308	2.0
93.03319	1.1
95.01266	2.7
95.74726	0.6
98.19756	1.5
99.00734	2.3
101.02318	2.4
102.02547	0.6
103.03902	1.5
107.01267	3.2
108.02033	1.9
108.16465	0.7
109.02857	3.8
109.99976	7.4
111.00787	4.3
113.02310	1.5
119.03398	0.7
119.04874	1.2
121.02828	1.1
123.00784	4.9
123.04367	1.1
124.01562	2.3
125.02317	2.3
133.02922	0.9
135.00809	1.4
136.01506	0.8
136.98689	2.0
137.02315	1.6
137.99463	2.9
139.00273	10.1
143.04939	0.8
144.81897	0.7
145.02849	1.0
147.00735	0.8
148.01587	1.1
149.02341	1.4
150.03043	0.7
151.00262	9.1
151.07530	0.9
152.01074	5.5
153.01799	2.2
159.04346	1.7
161.02371	1.9
163.00258	2.8
163.03838	1.3
164.01044	2.1
165.01851	1.2
165.98970	10.7
166.99731	4.1
171.04379	1.9
173.02409	0.9
174.03151	0.7
175.03883	2.0
177.01855	1.0
178.99786	12.2
183.04385	1.8
185.02315	1.1
186.03174	0.8
187.03903	3.4
188.04463	0.8
189.01868	1.5
190.99702	1.5
191.03383	1.0
192.00467	0.7
193.01328	1.0
193.98407	1.0
194.99261	1.0
195.13817	2.4
197.02315	0.9
198.03151	1.6
199.03973	4.7
200.04578	0.7
201.01846	2.8
201.05516	0.8
201.35744	0.6
202.02631	0.7
203.03407	3.2
206.99231	2.9
208.00055	1.5
209.00821	1.0
211.04086	0.9
213.01790	0.9
214.02615	3.5
215.03394	4.3
216.04092	2.4
217.01450	1.0
217.05025	1.3
219.02937	0.9
221.11711	1.5
226.02596	1.5
227.03442	6.6
229.01396	1.3
231.02896	3.9
232.03700	1.0
241.01376	2.0
241.14392	7.8
242.02179	4.2
242.14684	4.4
243.02917	7.3
243.15030	1.9
244.03606	1.9
245.00908	0.7
245.04539	2.7
255.02956	7.0
256.03458	0.9
257.01071	0.7
257.13968	1.1
259.02441	4.5
260.03168	2.0
265.09204	2.6
265.14371	1.0
269.00720	0.7
270.01672	5.7
271.02463	39.4
272.03134	5.2
273.04059	3.4
282.01743	0.9
282.73788	0.7
287.01971	18.5
288.02649	8.6
289.03241	1.4
293.04453	2.5
298.01166	2.1
299.01947	38.9
300.02527	5.1
301.03381	2.8
301.06891	1.1
315.01624	3.1
316.02209	62.8
317.02942	37.4
318.03357	2.7
333.08386	1.0
392.92856	0.6
413.08722	1.1
489.12515	1.5
517.11365	0.8
521.32965	0.8
563.14142	2.2
581.14917	1.3
607.12915	2.1
625.14026	100.0
626.14325	18.4
626.24500	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.1
59.64204	1.4
61.98697	1.6
65.46895	1.3
73.02823	2.5
77.48367	1.3
91.66349	1.4
98.19774	2.8
105.46243	1.4
117.03349	100.0
118.03682	3.8
121.11755	1.3
161.19737	1.4
210.26205	1.3
229.80791	1.8
308.39334	1.6
342.62296	1.6
517.33459	3.2
565.35278	56.2
566.35663	12.6
623.38654	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	623.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.6
57.03318	8.3
58.00458	1.8
59.01249	100.0
60.82470	1.7
61.98700	1.9
70.72735	2.5
70.73065	4.0
71.01250	29.9
72.99172	1.9
73.02827	10.3
75.00741	4.4
83.01258	5.7
85.02821	19.7
87.00755	4.4
89.02332	13.3
91.08679	2.2
93.03320	3.0
95.01270	2.8
96.95914	3.8
101.02323	13.2
108.02081	3.2
109.02851	2.6
109.64967	1.9
111.00748	2.0
111.08012	2.6
113.02320	16.5
115.33818	1.9
119.03371	3.6
121.02869	4.7
123.04405	1.9
123.08081	2.5
125.02234	1.8
129.01790	1.9
137.02289	3.1
137.05927	2.1
143.03386	3.6
143.10588	2.6
144.54582	1.8
149.02362	3.7
149.09602	5.1
151.00235	3.6
151.03961	2.1
152.01012	4.1
153.01891	1.8
155.10625	1.8
161.04517	5.9
164.04674	2.1
166.02573	2.6
167.10655	4.6
167.20934	1.9
170.23767	1.9
177.01935	2.1
177.91104	2.2
181.04985	3.1
187.13327	3.8
190.02589	5.4
195.05080	4.6
195.13766	4.1
201.14891	2.0
205.04988	4.1
213.14899	2.5
231.15976	60.8
232.16325	4.9
239.12860	3.0
267.11597	2.5
269.04184	2.0
269.12927	5.3
271.02591	3.8
285.03992	3.9
295.10806	3.9
299.01813	3.3
300.02710	7.6
304.83044	2.0
313.11874	2.8
315.04593	10.4
327.08234	2.7
339.07126	2.8
347.17078	3.1
357.26398	5.6
375.27533	7.9
383.06137	3.1
419.15829	3.9
475.17395	8.6
509.10925	2.0
519.31763	74.0
520.32288	10.5
533.17896	3.8
537.32556	11.6
579.33868	5.0
623.15082	3.5
623.24731	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17183	0.5
54.67833	0.5
55.01736	0.7
57.03079	0.6
57.03320	5.6
58.00453	1.3
59.01250	29.5
61.98695	3.2
62.41684	0.4
69.03327	1.2
71.01252	22.8
71.04872	0.5
72.99175	2.2
73.02809	2.8
73.61682	0.4
73.72642	0.4
75.00751	0.7
78.95758	0.9
83.01253	2.1
83.04884	0.7
85.02826	15.7
87.00733	1.5
87.04373	0.5
89.02311	14.6
93.03337	1.3
95.01254	1.9
97.02824	0.6
98.20564	1.0
99.00767	0.7
99.04397	0.6
101.02321	12.3
101.05994	0.5
103.03889	26.9
104.04236	1.0
107.04896	0.6
108.02058	0.7
109.02838	1.2
111.00769	1.0
113.02334	8.9
119.03381	5.5
119.04885	0.8
121.02858	1.2
124.01582	0.5
125.02377	1.4
125.09621	0.5
135.04411	0.6
137.02344	0.6
139.00273	0.8
143.03381	1.0
145.04912	0.6
146.53551	0.5
149.02379	0.7
151.00325	1.0
152.01122	0.6
153.01843	0.6
157.04915	0.9
161.04437	1.2
161.44894	0.4
165.03882	0.5
175.00247	0.8
177.01828	0.5
183.13814	0.7
190.02652	2.4
195.13837	5.9
205.05067	1.5
209.15483	0.6
213.14868	2.5
223.06062	0.9
241.03705	1.1
241.14447	1.3
247.08206	1.3
256.06064	2.2
265.09271	4.8
265.14337	0.5
269.04715	0.6
285.03986	0.7
299.05359	0.5
300.02676	0.6
304.05099	0.6
321.18875	0.5
357.19186	6.5
358.19861	0.7
375.20206	14.4
375.27637	0.8
376.20700	1.0
399.20157	0.5
417.17361	1.1
431.27106	0.5
475.22113	0.5
503.32501	1.7
579.33801	2.4
623.29242	100.0
624.05817	0.6
624.29547	18.0
624.39166	1.0
649.47760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	5.4
59.01250	8.7
61.98668	0.5
63.02262	0.5
69.54239	0.9
69.54649	2.2
71.01251	4.0
72.99178	0.6
73.02821	2.9
83.01273	1.0
83.04898	0.6
85.02825	2.5
87.00764	1.0
89.02328	2.3
99.00723	0.4
101.02305	3.2
113.02332	1.8
119.03396	1.0
120.21281	0.4
121.02867	0.4
121.06513	0.8
123.08027	1.3
133.04929	0.9
135.31677	0.4
137.09639	2.1
139.11154	0.8
149.09641	2.3
151.00256	0.9
151.06061	1.1
151.11212	1.2
152.93082	0.4
161.04504	0.7
165.03986	0.7
165.05441	0.6
165.12706	2.1
167.14270	1.1
175.00237	0.5
175.06091	1.0
175.43423	0.4
177.12730	1.0
178.99590	0.5
179.05475	0.5
179.10732	1.1
187.03931	0.8
195.13838	23.5
196.14174	1.9
205.12427	0.5
223.06042	0.5
227.14484	0.5
241.14409	100.0
242.14777	6.8
243.02953	0.8
247.13510	0.7
257.00677	0.7
261.00391	0.6
265.14426	22.5
266.14777	1.8
269.00827	0.8
271.02460	0.9
277.09396	0.5
286.01254	0.6
287.01978	3.3
295.10406	2.7
297.00528	1.1
299.01910	0.7
300.02658	0.8
301.03384	0.8
315.01434	3.2
337.11380	0.8
355.12369	5.9
381.10339	2.3
419.16843	0.5
421.14474	0.4
463.09027	0.5
511.31522	0.5
519.31610	1.9
537.33130	0.5
563.21448	2.3
581.22510	1.4
595.12872	0.8
623.12354	2.3
623.25458	5.6
624.26331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.6
57.03322	2.2
59.01250	10.7
60.52054	0.5
61.98693	2.2
61.98969	0.5
69.03308	0.6
69.37607	2.3
69.38030	2.0
71.01248	3.5
73.02815	0.6
75.00735	0.5
77.90252	0.4
78.95772	60.9
80.02544	0.7
81.03334	1.5
82.23716	0.6
83.01250	2.6
83.04869	1.0
85.02823	2.2
87.00742	0.5
89.02283	0.8
93.03343	1.1
94.92805	0.4
95.01285	0.8
95.04880	1.3
96.95902	0.6
96.96835	10.4
97.02832	1.8
97.06445	3.3
98.19804	1.0
101.02321	1.7
107.04944	0.7
108.02058	0.9
109.02819	0.8
109.06487	1.4
113.02332	1.0
116.92765	0.9
119.04906	1.0
119.08619	0.5
121.02839	10.3
121.06454	1.4
121.15034	0.5
122.03184	1.7
123.03588	0.6
123.04372	3.4
123.08035	1.5
125.02308	0.8
125.09612	4.4
135.08028	1.0
136.05118	0.6
137.02335	0.8
137.05928	0.5
137.09618	3.4
142.02612	0.6
142.78329	0.5
149.09605	0.8
150.97897	0.7
151.11195	1.0
152.99483	67.0
153.99811	1.4
161.06096	0.5
163.11186	5.5
165.01880	5.3
165.12769	1.7
166.02226	2.1
167.03429	2.4
167.10651	0.7
171.00508	2.4
171.10179	0.7
177.12859	0.7
179.10641	1.3
181.12288	1.8
185.11699	3.5
191.10704	1.6
191.12785	0.5
191.14276	3.1
207.10141	4.0
209.11746	12.6
210.12070	0.6
211.13370	0.6
217.15881	0.7
223.00067	6.9
225.11276	4.0
226.11938	0.8
232.45741	0.5
241.01149	24.1
241.27417	0.5
245.19067	5.7
259.02258	1.4
271.17184	0.7
289.18069	11.3
290.18338	0.8
307.19147	10.2
315.04840	9.7
316.04901	0.6
333.05756	1.4
387.56998	0.5
397.13147	1.0
541.35883	0.5
623.24695	100.0
624.25073	14.9
624.34772	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	3.6
57.03316	5.1
57.99985	1.4
58.00467	1.6
59.01247	79.2
69.38208	14.1
71.01250	41.9
72.01598	1.5
72.99164	4.1
73.02817	14.6
75.00739	2.9
76.23293	1.6
83.01255	8.1
85.02829	17.5
87.00735	5.5
89.02312	13.1
93.03346	3.5
95.01247	5.6
98.19781	1.9
99.00745	2.6
101.02309	21.7
108.02044	8.6
109.02831	3.4
111.00771	3.6
113.02324	14.0
113.97632	1.6
115.02913	1.9
115.03813	3.0
117.52544	1.4
119.03419	4.0
121.02834	4.5
123.00761	11.8
123.04522	1.5
124.01528	4.2
135.04433	2.9
137.02367	6.7
138.03120	25.7
139.03911	6.2
143.03387	2.0
144.07747	1.8
150.03142	2.0
151.03815	1.8
153.05470	17.2
159.04251	1.5
161.04405	4.3
163.04004	1.6
175.03864	2.8
181.04942	1.7
187.03938	9.3
188.04741	3.6
189.05354	1.9
195.13821	4.6
197.04477	1.8
201.05428	1.8
202.06244	7.4
203.07082	3.1
205.04941	3.8
206.05771	2.1
217.08527	1.7
221.08211	3.6
233.08185	5.8
241.14375	10.5
255.12308	3.2
265.14474	5.3
280.03677	5.2
281.04349	1.7
290.36371	1.6
293.04422	2.2
298.04913	3.0
308.03250	16.1
309.03748	2.2
310.50574	1.6
311.05463	2.9
312.06146	2.4
313.07175	4.4
323.05545	10.1
325.07172	5.0
326.08246	1.9
327.08615	5.5
340.09326	4.3
341.06561	3.0
341.10339	6.1
343.08282	4.3
343.12131	2.7
344.08865	4.0
355.12003	9.5
355.15527	1.5
356.08755	2.2
356.12784	2.1
358.10440	10.3
359.11276	16.6
367.89124	1.5
371.11392	14.4
373.12979	22.5
374.13379	1.8
381.10294	3.6
386.13708	4.6
388.11169	2.3
389.12299	6.6
401.16010	7.0
404.14835	11.8
405.15274	2.6
419.17068	23.6
420.17587	2.3
443.09802	11.8
503.19357	1.8
548.19556	3.9
563.21246	100.0
564.21588	17.5
581.22296	49.6
582.22571	8.4
615.67065	1.7
623.23950	15.5
624.25018	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	623.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96067	2.3
57.03340	2.2
59.01250	100.0
61.98704	35.9
67.01753	14.7
67.38688	2.6
68.83528	2.2
68.99639	2.0
69.89693	1.9
70.06634	2.1
71.01244	15.1
72.99202	3.3
73.02792	3.5
73.50499	2.1
78.95770	4.5
83.01244	7.8
85.02814	5.3
87.00741	3.1
94.60620	2.2
97.06439	3.3
98.70044	2.7
99.00739	2.6
101.02301	10.5
101.05952	60.9
101.18397	2.4
107.04897	2.4
111.00795	13.1
111.04374	2.8
113.02354	6.6
161.04416	4.1
161.20714	2.8
171.10254	3.2
206.64569	2.4
207.10143	4.3
209.11732	2.9
211.13235	3.7
224.56578	2.8
225.11250	4.8
235.08037	3.8
279.13922	3.7
325.25000	3.5
369.24280	5.7
387.25470	21.6
405.26382	13.0
425.17032	3.3
459.20294	5.3
479.33185	2.8
499.26996	4.9
543.18408	2.0
543.25928	59.9
544.26135	7.4
587.25049	36.4
588.25409	7.2
622.40656	7.6
623.24432	4.6
623.33612	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	623.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71479	1.7
57.03325	2.7
59.01248	100.0
65.28719	2.2
69.20376	20.8
71.00854	2.3
71.01247	45.9
72.99182	3.9
73.02444	3.1
73.02818	40.0
83.01246	13.6
85.02823	14.1
87.00726	2.4
87.04365	1.8
89.02304	14.1
95.01273	3.5
99.00750	3.2
101.02317	43.4
111.00745	2.2
113.02344	17.6
119.03352	6.6
119.04892	2.4
125.02300	4.3
131.03407	2.8
135.04391	2.3
137.02351	2.8
138.03085	1.7
143.03366	4.2
149.04396	4.0
151.00267	3.2
151.03929	3.4
161.04463	12.6
175.03871	6.0
187.03966	3.3
188.04349	2.1
190.06120	2.3
203.07083	4.2
205.04953	7.6
217.14346	2.6
220.07385	3.6
229.70253	2.1
235.09657	6.2
315.05032	3.4
323.05594	3.5
331.17810	4.2
338.70245	1.9
341.10202	7.7
345.19193	2.6
356.12668	2.5
391.19897	2.0
401.16055	44.2
402.16266	4.9
430.69583	2.0
501.30377	4.5
519.31763	23.9
520.31940	3.6
533.17627	2.3
537.32788	6.8
563.21307	6.7
579.33679	3.0
581.22314	2.1
623.16687	8.1
623.26178	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	623.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12070	0.7
57.03332	8.1
59.01252	22.3
61.98690	2.6
65.00184	2.5
69.03324	0.7
69.18137	8.9
69.18459	0.8
70.85001	0.8
71.01252	12.4
72.99181	1.7
73.02806	3.0
75.00721	0.7
81.03316	1.4
83.01261	3.6
85.02825	6.5
87.00769	1.3
89.02309	2.5
92.98308	0.8
93.03333	4.0
95.01241	2.8
96.95866	2.2
97.02809	1.0
99.00740	1.3
101.02322	6.1
106.04093	0.9
107.01259	3.8
108.02051	70.7
109.02847	32.1
110.03152	1.1
111.00763	0.8
113.02345	6.0
113.03033	0.8
113.03420	1.1
113.68588	0.8
119.03444	1.1
119.04908	8.5
120.05241	1.8
121.02854	4.0
123.00732	2.9
123.04365	2.0
123.08022	1.4
125.02302	2.6
131.03308	0.8
133.02844	3.4
134.03659	0.7
135.00803	5.9
136.01477	0.9
137.02350	1.7
137.09599	2.1
139.11171	1.4
145.02847	1.2
149.02304	2.1
149.09584	2.7
151.00253	11.9
151.03882	3.5
152.01057	81.5
153.01845	39.3
153.09081	1.5
154.02145	1.4
161.02325	0.9
161.04445	1.8
163.00230	1.4
163.03928	1.6
164.04671	1.4
165.01839	3.5
165.05472	0.9
165.12677	1.5
175.00259	0.8
175.03958	0.8
176.01016	2.3
177.01848	40.1
177.12706	1.3
178.02306	2.5
179.03252	1.0
190.02612	1.3
191.03452	1.3
193.04956	2.3
195.13840	11.8
196.14067	1.2
205.04921	2.6
219.02795	0.9
223.06056	2.5
233.00961	0.8
239.12851	10.1
240.13173	1.5
241.14275	1.1
245.08241	1.2
263.12756	3.0
271.06061	4.1
272.06354	3.8
273.06659	2.1
308.03214	1.0
315.07220	100.0
316.07486	7.5
323.05573	3.1
339.07181	74.5
340.07523	5.9
357.08261	13.1
361.42664	1.0
383.06171	66.4
384.06473	6.9
401.07233	25.3
402.07257	2.2
443.09598	1.6
449.18106	1.2
459.29535	1.3
502.12589	1.5
503.13071	5.0
519.32037	8.6
520.32104	1.0
537.32703	2.3
556.17590	0.9
567.78485	0.9
579.33594	1.7
623.18054	18.7
623.28284	1.0
624.17493	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	623.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54272	0.4
55.33541	0.4
59.01252	1.1
76.02718	0.4
83.01241	0.4
83.15669	0.4
85.83345	0.4
100.56570	0.4
103.38565	0.4
107.01278	0.8
125.02368	0.4
145.02895	0.7
151.00296	3.6
163.00311	0.6
169.01361	0.6
173.41811	0.5
178.99791	0.8
183.04428	1.2
199.03905	2.6
201.01862	0.7
203.03534	0.6
215.03394	1.4
226.02739	0.5
227.03448	3.7
229.01396	0.5
242.02179	1.8
243.02940	17.2
244.03549	2.0
253.47125	0.5
254.02271	0.7
255.02930	11.4
256.03470	1.8
257.04581	2.3
259.06091	1.2
270.01660	2.7
271.02451	32.6
272.03098	5.9
285.04019	5.6
286.04892	2.1
287.05417	2.7
299.01953	37.3
300.02704	37.7
301.03186	2.9
313.03418	0.8
314.04291	34.8
315.05069	100.0
316.05435	7.9
357.05960	1.1
450.30222	0.5
454.73279	0.5
519.31458	0.8
550.48315	0.6
623.16125	76.9
624.16510	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	623.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50343	0.4
57.03318	0.7
59.01245	4.8
71.01252	4.6
71.52706	0.6
72.99181	0.8
73.02817	1.4
75.00750	0.5
82.62431	0.4
82.91705	0.4
83.01256	0.8
85.02807	2.0
87.00774	0.6
89.02321	3.7
93.03326	0.5
93.05894	0.4
95.01246	0.6
96.95842	0.5
101.02297	2.6
103.03851	1.1
108.02025	2.0
109.02821	0.8
111.00741	1.6
111.04433	0.6
113.02322	1.8
117.98685	0.5
119.03361	0.6
119.04858	0.9
120.01080	0.5
121.02792	0.5
123.08070	0.5
125.02262	0.5
129.10867	0.5
132.02068	0.6
133.02844	3.6
134.03601	1.7
135.04367	0.6
137.02338	1.2
139.11166	1.8
145.02823	1.9
147.04341	1.0
149.02303	0.8
150.03062	1.1
151.03833	0.6
151.05960	0.5
152.01038	2.3
153.01790	0.8
159.04378	1.0
160.03984	0.9
161.02341	1.0
163.03900	0.9
165.05452	0.8
175.03903	1.5
176.00961	0.6
177.01886	2.7
178.02568	1.4
179.03348	1.0
189.01851	1.0
191.03450	1.1
192.64160	0.5
193.04951	1.0
195.90379	0.5
197.15393	7.6
201.01730	0.5
203.03424	1.6
204.00635	0.5
239.06926	0.5
240.93347	0.4
241.14413	12.0
242.14676	0.7
255.06552	0.9
265.09290	1.1
265.14413	4.4
266.05814	0.6
267.06638	0.7
267.80667	0.5
283.06042	2.0
284.06616	0.9
295.10309	1.3
297.04086	0.7
298.04770	3.6
299.05597	2.3
309.04099	0.7
311.05579	17.0
312.06384	54.3
313.06747	4.6
313.10349	0.6
313.11496	0.5
321.04056	0.8
322.04996	1.0
323.05685	4.1
324.06116	1.4
325.06943	0.8
326.07764	1.2
327.05060	1.4
327.08578	0.8
338.04272	0.9
339.04987	5.2
340.05746	1.0
341.06735	3.2
344.05426	2.7
351.05060	0.7
353.06607	1.8
354.07590	0.7
355.04434	0.9
355.08154	4.2
355.12393	2.3
356.08649	0.8
358.06888	0.7
365.06622	1.3
368.05295	1.8
369.06229	1.3
370.06741	0.6
381.05911	0.8
381.10370	0.6
383.07697	37.5
384.08005	5.1
385.09518	0.9
386.06213	0.8
395.07983	2.7
413.08759	20.5
414.09052	2.3
425.08920	2.8
427.10263	0.6
443.09680	1.7
455.09937	1.1
457.10867	0.6
461.10767	1.1
503.11929	20.1
504.12164	2.2
533.13013	2.9
563.21014	0.9
605.14746	0.9
623.16089	100.0
624.16504	14.8
624.25690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24032	1.0
57.03313	1.3
59.01249	13.4
65.17021	1.1
69.03337	1.4
71.01250	8.2
73.02809	1.8
75.00732	3.7
77.52863	1.2
79.64857	1.3
83.01227	1.3
85.02808	5.1
87.00734	2.0
89.02285	3.4
93.03318	3.8
95.01255	1.7
99.00723	1.5
101.02345	5.7
108.55019	1.2
109.02850	2.1
111.00739	3.7
113.02315	4.7
117.03318	4.6
119.04871	2.0
121.02808	1.9
122.36117	1.1
123.00668	1.2
123.04404	1.8
125.02309	1.8
129.01837	2.5
133.02855	1.8
135.04396	2.6
137.02318	7.1
138.03078	1.7
138.06697	1.5
147.04427	1.9
149.02322	4.8
149.05997	1.4
151.00262	2.0
151.03932	3.9
153.05420	2.0
153.09073	2.8
160.01550	1.8
161.02306	3.7
163.00243	1.7
163.03905	4.7
164.01021	4.3
165.01756	5.5
175.03894	4.4
177.01851	9.7
179.03419	5.7
181.04964	1.7
182.53238	1.2
189.01872	1.9
189.03781	1.2
190.02565	2.6
191.03401	2.4
193.01295	1.1
193.04953	2.4
195.02908	2.6
197.06097	1.7
203.03369	1.3
207.02884	5.8
207.05016	7.7
207.89394	1.2
209.04520	1.6
219.02974	2.9
223.05876	1.4
237.03787	1.5
243.52632	1.3
252.04245	4.1
253.04640	1.4
255.12363	2.2
267.06445	2.7
268.03821	1.3
268.07358	1.4
269.04541	9.9
273.62689	1.2
282.05222	3.0
283.05978	3.3
284.03177	2.1
294.05362	1.5
295.06088	7.9
296.06882	2.2
297.04022	29.6
297.07269	1.7
298.04639	8.0
299.05447	4.2
309.07547	1.4
311.05530	4.4
312.06378	32.8
313.06882	3.9
321.07388	1.6
322.04691	3.0
323.05441	2.1
324.06287	1.3
325.07001	3.2
327.04904	1.7
335.05426	1.9
337.07144	1.4
339.04593	2.7
340.05780	16.3
341.06573	15.0
342.07013	1.9
343.12738	1.6
344.05215	5.3
353.06631	4.8
365.06824	1.8
367.07913	2.3
383.07684	14.6
389.15930	3.7
395.07626	2.5
413.08810	9.6
473.10785	3.7
503.11917	100.0
504.12192	11.6
533.13385	5.7
563.21307	8.3
564.20935	2.0
574.29523	1.7
581.22198	5.5
605.14581	1.8
623.15991	53.0
623.24603	3.5
624.16254	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	621.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67310	0.1
54.16185	0.1
57.03332	0.3
59.01249	100.0
60.01574	1.0
61.98706	0.4
69.59660	0.3
69.60075	0.6
71.01260	0.5
85.02834	0.3
87.04372	0.2
88.63557	0.1
89.02309	0.2
93.03358	0.2
96.72159	0.2
101.02339	0.3
111.08064	0.2
113.02372	0.2
143.40073	0.1
149.02348	0.2
152.01059	0.2
189.98511	0.1
190.02690	0.5
205.05104	0.5
209.11815	0.2
223.06145	0.3
233.15465	0.2
372.91214	0.2
403.28400	0.4
445.29858	0.3
473.28781	0.2
495.65216	0.2
517.27991	5.9
518.28278	0.9
535.28925	1.5
542.40326	0.2
577.29932	1.2
621.29126	1.5
644.59149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32605	1.0
61.98701	100.0
69.19808	2.1
69.20219	7.9
71.19721	0.8
71.23399	0.9
79.62154	0.9
84.08515	1.0
102.59121	0.9
110.98420	1.4
117.29468	0.8
124.95047	1.0
172.74455	0.9
207.65463	0.9
310.83203	1.0
416.35660	1.2
622.40710	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99142	1.3
57.00486	1.4
57.03319	8.6
59.01249	88.1
60.99565	1.2
61.98696	2.2
63.48005	1.2
69.03323	6.0
69.26102	9.0
69.26523	3.7
71.01254	6.8
72.99171	2.8
73.02831	4.3
79.28587	1.2
83.01167	1.3
83.04874	6.9
85.02823	7.4
87.00751	5.4
87.04385	14.6
89.02335	1.7
91.01787	1.6
93.03326	1.6
95.04903	1.2
97.02835	6.7
98.20527	2.5
101.02330	3.2
113.02293	2.1
119.01239	3.0
119.04900	2.1
119.08622	1.6
121.02874	3.0
137.02275	1.6
137.09572	1.5
147.04411	3.2
147.84929	1.3
148.01520	4.3
150.49100	1.3
151.00284	2.6
152.01057	2.9
163.00255	15.1
164.04662	1.5
165.01869	1.4
167.03462	2.0
173.05867	2.6
173.13245	1.4
175.00319	1.7
175.03886	1.9
181.01344	11.6
190.02594	3.3
191.03380	4.0
191.07106	3.4
205.05042	2.1
217.04950	3.8
219.02934	2.1
223.06123	1.9
234.05292	12.7
235.05997	5.5
269.04590	2.2
297.22226	2.0
323.23727	6.3
335.23898	2.5
353.24854	2.9
373.25821	3.5
397.23798	4.8
399.26880	1.4
417.15619	1.5
425.23376	2.4
429.26462	7.8
457.25912	100.0
458.26135	11.2
487.30536	11.9
488.31357	2.1
501.24915	88.8
502.25266	13.5
517.27832	6.6
561.27008	64.1
562.27191	13.5
577.33557	10.4
603.17328	2.3
621.18274	30.0
622.18866	7.1
622.28052	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	621.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53273	2.6
57.03328	4.0
58.00480	3.1
59.01248	100.0
59.88747	1.8
61.84152	1.9
69.75198	3.9
69.75603	8.5
71.01252	47.5
72.99178	3.2
73.02818	8.5
78.46362	2.0
79.95631	2.3
83.01266	5.6
85.02821	18.8
87.00726	4.1
89.02314	42.6
93.03303	3.7
95.01280	2.5
96.95901	2.0
100.69297	1.9
101.02324	23.6
107.01257	3.3
108.02027	4.7
111.00747	2.6
113.02324	25.2
119.03371	14.8
119.04890	12.6
121.02870	2.8
123.00745	2.5
124.37604	2.1
125.02361	4.3
129.35399	2.1
131.03433	2.2
137.02344	5.0
140.19785	2.0
147.42032	2.1
148.13829	2.1
149.04460	3.7
150.03108	2.2
151.00256	18.0
151.03871	2.4
152.01086	3.0
153.01451	2.3
154.06152	2.0
161.04443	9.2
165.03981	3.1
166.02611	8.3
177.01801	2.7
179.05499	6.7
179.06967	2.7
181.04988	9.7
190.02533	2.7
191.03387	4.4
195.13828	2.0
205.04970	2.8
241.14394	3.9
271.06137	6.5
415.13522	3.1
417.15466	10.5
501.12506	4.4
517.26428	30.5
518.26904	4.4
535.27502	19.6
577.28894	4.6
621.16302	14.1
648.21161	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	621.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.9
55.38302	0.8
57.03305	2.4
58.00458	3.2
59.01247	100.0
59.28990	0.8
61.98708	1.1
65.00190	1.6
71.01249	52.9
71.48166	1.0
71.53106	1.2
72.01602	1.0
72.99173	4.9
73.02815	7.6
75.00735	1.6
83.01260	5.1
85.02819	17.0
87.00748	4.8
89.02312	49.9
93.03329	3.2
95.01244	4.9
96.19036	0.9
96.95893	1.3
99.00747	1.6
101.02319	25.9
101.02993	1.3
107.01247	2.6
107.04930	1.7
108.02062	2.3
109.02808	2.3
111.00745	2.7
113.02325	29.3
117.03307	0.9
118.97955	1.9
119.03387	19.2
119.04886	8.2
120.43354	1.1
121.02793	2.7
125.02315	5.1
125.35932	0.8
131.03404	2.2
133.02870	1.6
134.03609	1.5
135.04379	1.3
137.02304	3.4
137.60315	1.1
139.03882	1.2
143.03386	5.0
145.02817	2.2
147.02953	1.1
147.04318	1.8
148.19594	0.8
149.02344	1.4
149.04449	3.5
149.05956	1.7
151.00275	9.2
152.01041	1.8
159.04463	1.0
161.04462	8.8
163.03906	2.3
164.04572	1.1
165.03961	1.6
165.05409	1.4
165.87041	0.9
166.02586	3.5
167.03384	1.2
172.73752	0.9
175.00218	1.8
175.03761	1.1
177.01826	1.3
179.03989	1.4
179.05534	11.3
179.07019	1.5
181.04965	7.0
190.02551	1.9
191.03386	2.4
191.05324	1.1
193.04849	0.9
196.20450	0.9
205.04970	1.7
211.07582	1.2
215.03453	2.9
223.05984	1.8
225.48921	0.9
239.12704	1.5
241.14377	3.1
253.07182	1.3
265.09149	1.4
271.05994	3.5
271.09210	1.1
327.08688	0.9
357.04541	1.6
368.48175	1.1
379.09973	1.2
387.09244	2.8
388.10178	1.1
417.15594	6.5
501.12430	1.3
517.26514	34.7
518.26886	4.4
535.27557	21.7
536.28040	4.1
548.56311	1.0
577.29041	6.4
621.15601	6.6
622.14825	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.3
57.03318	1.1
58.00445	1.2
59.01249	100.0
61.98703	6.9
68.23103	1.0
68.99665	1.3
69.82214	1.0
70.65837	3.8
71.01246	9.9
72.99189	1.4
73.02825	3.7
78.95802	1.3
83.01257	2.6
85.02823	4.9
87.00769	1.1
88.40324	1.2
89.02327	3.7
90.63869	1.1
93.03334	2.3
95.01283	1.9
95.04874	1.4
97.02776	1.2
99.00760	1.3
99.04412	2.0
101.02295	8.7
106.04150	1.5
107.04941	1.7
108.02049	2.5
113.02354	4.8
117.24174	1.2
119.01337	1.3
119.04907	3.2
121.02824	2.8
123.04409	1.4
125.02297	1.7
135.04401	1.7
137.02362	1.9
147.00758	1.3
147.04413	1.4
149.02330	4.6
151.00250	2.7
152.01086	1.7
160.03946	4.7
161.04408	1.3
161.05922	1.2
164.04683	3.2
165.05473	2.2
166.02644	1.4
167.03412	3.5
171.10260	2.0
175.00275	10.3
190.02631	27.0
191.03220	2.4
205.04993	22.4
206.05360	1.6
219.95811	1.1
223.06105	8.0
251.07622	2.8
253.07153	2.6
269.04507	2.0
271.06052	1.4
273.14941	2.7
385.29596	1.3
456.73044	1.3
459.11749	2.3
473.21759	2.7
485.22009	2.0
501.30792	2.8
529.20685	8.7
577.33856	1.4
599.73029	1.3
620.40131	5.3
621.29395	26.8
621.40472	3.8
622.29639	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	621.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03372	0.4
57.03320	20.6
58.00459	0.4
58.47032	0.4
59.01249	13.1
59.01538	0.8
67.89185	0.4
68.66007	0.4
69.29088	1.1
69.29506	3.0
71.01251	6.1
73.02811	4.5
73.68273	0.5
79.99300	0.4
83.01282	0.5
83.04896	2.0
85.02825	3.1
85.06478	0.5
87.00726	0.7
89.02314	4.6
93.03323	0.6
97.06464	0.9
97.38052	0.5
99.00777	0.8
101.02317	6.3
113.02335	2.2
119.03366	2.7
119.04942	0.6
121.06496	0.4
123.08047	4.5
125.02277	0.5
133.04982	1.8
134.07249	1.2
137.09608	5.7
139.11223	3.2
149.09624	8.7
151.00278	0.5
151.06044	3.2
151.11201	1.9
151.12349	0.4
154.63699	0.5
161.04463	1.4
161.09657	0.6
165.12762	4.5
167.14362	1.6
175.06041	2.0
177.12784	4.0
178.13133	0.7
179.05635	0.6
179.10742	2.3
181.04971	0.8
193.04996	0.7
193.12219	0.9
195.13844	57.7
196.14143	2.9
208.07547	0.4
219.08815	0.4
228.22141	0.6
237.15158	0.4
239.12856	100.0
240.13190	6.3
263.12869	28.5
264.13232	1.6
265.09454	0.5
269.04544	0.5
277.09351	0.9
295.10339	6.6
296.10739	0.6
313.11459	3.5
337.11319	0.6
355.08121	0.8
355.12442	14.4
356.12915	1.1
381.10272	3.7
399.10916	0.6
503.15912	0.4
621.24500	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	621.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.3
57.03318	1.1
58.00445	1.2
59.01249	100.0
61.98703	6.9
68.23103	1.0
68.99665	1.3
69.82214	1.0
70.65837	3.8
71.01246	9.9
72.99189	1.4
73.02825	3.7
78.95802	1.3
83.01257	2.6
85.02823	4.9
87.00769	1.1
88.40324	1.2
89.02327	3.7
90.63869	1.1
93.03334	2.3
95.01283	1.9
95.04874	1.4
97.02776	1.2
99.00760	1.3
99.04412	2.0
101.02295	8.7
106.04150	1.5
107.04941	1.7
108.02049	2.5
113.02354	4.8
117.24174	1.2
119.01337	1.3
119.04907	3.2
121.02824	2.8
123.04409	1.4
125.02297	1.7
135.04401	1.7
137.02362	1.9
147.00758	1.3
147.04413	1.4
149.02330	4.6
151.00250	2.7
152.01086	1.7
160.03946	4.7
161.04408	1.3
161.05922	1.2
164.04683	3.2
165.05473	2.2
166.02644	1.4
167.03412	3.5
171.10260	2.0
175.00275	10.3
190.02631	27.0
191.03220	2.4
205.04993	22.4
206.05360	1.6
219.95811	1.1
223.06105	8.0
251.07622	2.8
253.07153	2.6
269.04507	2.0
271.06052	1.4
273.14941	2.7
385.29596	1.3
456.73044	1.3
459.11749	2.3
473.21759	2.7
485.22009	2.0
501.30792	2.8
529.20685	8.7
577.33856	1.4
599.73029	1.3
620.40131	5.3
621.29395	26.8
621.40472	3.8
622.29639	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	621.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98687	1.3
69.38708	8.9
70.03475	1.3
71.27225	1.1
87.04395	1.3
98.20586	2.3
99.93538	1.3
104.25838	1.3
122.69955	1.1
138.27240	1.1
160.58293	1.3
185.12216	1.3
311.22284	1.9
326.71658	1.5
387.31686	1.3
415.19238	2.3
416.16803	1.6
429.17047	1.9
431.19083	1.6
442.17661	2.5
443.18661	5.1
444.19360	4.1
445.20773	8.6
446.21161	6.8
447.21463	2.3
457.20337	6.5
458.21259	7.7
459.14075	1.8
459.22354	12.7
460.22626	3.5
461.16727	2.2
461.23413	8.8
463.22467	1.3
471.18112	5.2
473.23380	7.0
474.21503	15.4
475.21350	3.1
485.19864	12.6
486.20541	34.4
487.21460	6.7
488.18521	5.0
489.18900	11.1
489.23074	13.4
490.24060	2.4
499.21414	2.7
501.22952	100.0
502.23297	14.4
503.20389	2.7
504.21930	1.8
513.19318	1.7
516.18048	12.5
517.17670	1.5
518.23163	19.5
519.23260	2.3
520.16876	1.5
527.20776	8.6
528.21112	1.8
533.26117	27.5
534.26141	6.6
535.19781	2.4
544.21259	5.2
545.21906	55.2
546.22369	11.1
548.20673	19.1
549.19940	2.6
549.25220	1.9
559.23340	14.9
560.23798	3.6
561.21271	3.8
562.22131	11.0
563.22076	2.7
577.24524	17.4
578.24902	4.4
621.23401	22.1
622.23169	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	621.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	9.4
59.30714	0.8
61.49096	0.7
61.88290	0.7
63.66996	0.7
64.35174	0.7
66.79865	0.7
69.44275	6.7
71.01253	4.9
73.02807	1.9
77.41248	0.8
81.82397	0.7
83.04938	0.8
84.41839	0.7
85.02808	3.3
89.02317	2.2
93.03316	0.9
95.25932	0.8
96.95880	0.9
101.02325	2.9
107.01246	1.2
108.02063	6.8
109.02827	4.5
113.02319	3.0
119.03334	1.1
119.04886	3.1
121.02797	1.0
123.00738	2.9
125.02305	1.8
137.02333	10.0
137.12878	1.0
149.02351	2.3
150.03116	1.4
151.00262	21.4
151.03787	1.4
152.01060	10.7
152.04674	2.0
153.01779	3.3
161.02388	1.0
163.03871	0.8
164.04655	1.1
166.02623	63.3
167.03214	3.8
175.00299	0.9
175.03929	1.2
177.01834	3.5
179.03386	1.2
181.04977	80.3
182.05298	3.8
184.03670	1.6
190.02600	2.4
190.06276	1.4
191.03409	1.9
192.04199	1.8
193.04990	1.1
205.04951	3.1
205.08620	1.4
207.06598	1.3
209.04491	0.9
231.72281	1.0
269.04501	1.4
270.04669	1.0
271.06137	8.1
315.07416	1.8
323.14941	1.5
371.15118	0.9
373.26053	1.2
387.10822	17.8
388.11130	2.0
402.13156	8.8
417.15527	100.0
418.15985	12.5
517.30042	1.3
558.20313	0.9
561.28918	1.8
577.22729	1.0
579.29950	2.3
621.21881	11.5
622.22437	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	621.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	9.4
59.30714	0.8
61.49096	0.7
61.88290	0.7
63.66996	0.7
64.35174	0.7
66.79865	0.7
69.44275	6.7
71.01253	4.9
73.02807	1.9
77.41248	0.8
81.82397	0.7
83.04938	0.8
84.41839	0.7
85.02808	3.3
89.02317	2.2
93.03316	0.9
95.25932	0.8
96.95880	0.9
101.02325	2.9
107.01246	1.2
108.02063	6.8
109.02827	4.5
113.02319	3.0
119.03334	1.1
119.04886	3.1
121.02797	1.0
123.00738	2.9
125.02305	1.8
137.02333	10.0
137.12878	1.0
149.02351	2.3
150.03116	1.4
151.00262	21.4
151.03787	1.4
152.01060	10.7
152.04674	2.0
153.01779	3.3
161.02388	1.0
163.03871	0.8
164.04655	1.1
166.02623	63.3
167.03214	3.8
175.00299	0.9
175.03929	1.2
177.01834	3.5
179.03386	1.2
181.04977	80.3
182.05298	3.8
184.03670	1.6
190.02600	2.4
190.06276	1.4
191.03409	1.9
192.04199	1.8
193.04990	1.1
205.04951	3.1
205.08620	1.4
207.06598	1.3
209.04491	0.9
231.72281	1.0
269.04501	1.4
270.04669	1.0
271.06137	8.1
315.07416	1.8
323.14941	1.5
371.15118	0.9
373.26053	1.2
387.10822	17.8
388.11130	2.0
402.13156	8.8
417.15527	100.0
418.15985	12.5
517.30042	1.3
558.20313	0.9
561.28918	1.8
577.22729	1.0
579.29950	2.3
621.21881	11.5
622.22437	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	621.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87456	0.5
57.03319	1.1
59.01245	12.2
61.98695	0.8
63.02263	2.1
64.79506	0.5
65.00192	14.8
69.29801	1.3
69.30225	3.4
71.01252	4.6
73.02824	1.6
81.03329	0.9
83.01256	8.9
85.02826	1.8
87.00726	0.6
89.02330	1.2
93.03336	6.2
96.95922	0.7
98.19833	1.2
101.02312	2.7
107.01268	26.2
108.02056	1.9
113.02303	2.4
117.03334	1.6
117.26363	0.5
119.04913	47.3
120.05236	2.1
121.02802	1.0
125.02308	5.1
133.02866	0.8
136.01576	1.0
137.02324	0.7
143.04921	1.9
145.02837	6.5
146.03073	0.6
149.02310	1.2
151.00269	100.0
152.00580	3.3
161.02428	0.7
161.04362	0.8
161.05960	1.0
163.00211	0.7
163.03903	0.6
164.01044	1.4
165.01898	3.8
166.02637	0.5
166.99622	0.5
169.01297	1.7
170.58946	0.5
175.00258	1.7
177.01852	7.2
181.05025	0.6
185.06013	2.5
187.03894	3.7
193.01408	0.8
195.99942	0.8
203.07013	0.5
217.01512	0.5
227.07054	2.7
229.05052	0.5
269.04419	3.1
270.04929	2.1
271.06107	50.3
272.06509	3.8
286.53201	0.6
300.02643	1.2
313.07013	1.1
315.04993	1.1
339.07224	1.9
361.96323	0.6
438.37094	0.6
459.12891	2.3
475.14087	0.7
501.12506	22.1
502.12680	2.2
517.30103	1.6
519.11395	0.7
561.15814	0.9
561.28912	0.7
577.32343	0.7
579.17072	2.1
621.18097	69.7
622.18372	10.5
622.27966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.98704	6.1
65.44650	0.9
70.04674	3.0
70.05084	2.1
71.01257	6.4
75.00720	3.2
85.02814	2.6
87.00729	1.2
89.02304	1.1
93.35863	0.9
96.95884	6.1
97.06432	1.0
98.20546	1.2
101.02345	2.2
101.05963	1.9
113.02309	1.6
160.59988	1.1
161.04419	1.1
175.19197	1.2
260.59439	0.9
295.22720	0.9
328.77121	1.0
375.07520	1.5
383.22128	3.2
390.09824	2.6
401.22900	1.8
451.88232	1.2
542.52240	1.2
575.08636	1.1
619.29974	11.5
620.15491	2.1
620.31311	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	621.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22649	0.5
57.03315	10.8
58.69132	0.5
59.01246	13.5
59.18010	0.6
65.00182	1.3
66.60956	0.6
71.01252	3.9
71.32455	0.9
71.32782	0.6
72.99157	0.6
73.02812	1.3
83.01247	2.0
85.02818	1.7
87.00749	0.7
89.02308	2.0
93.03317	1.2
95.01256	0.8
99.00696	0.6
99.04381	2.5
101.02316	3.3
107.01260	3.0
108.02072	3.5
109.02845	1.3
113.02311	1.7
119.03362	0.7
119.04919	3.1
125.02326	2.5
126.74984	0.6
131.61554	0.6
137.02333	1.4
143.04948	0.9
145.02861	1.0
148.01526	0.7
151.00270	12.5
152.01025	2.0
153.01816	0.9
159.04422	0.7
161.04471	1.2
161.05876	1.3
163.00244	1.0
163.04018	0.6
166.02620	4.5
169.02843	0.6
171.04469	0.6
178.99750	0.7
181.05000	6.3
183.04445	1.5
185.02304	1.0
187.03915	0.8
189.01752	0.7
199.03931	5.7
203.03416	0.7
205.05046	0.8
211.03760	0.9
215.03386	2.5
219.06619	0.9
227.03439	6.8
228.03917	1.0
242.02158	1.8
243.02951	26.6
244.03293	2.9
254.02222	1.4
255.02942	19.4
256.03369	1.7
257.04477	2.4
259.06174	1.2
269.04492	2.0
270.01746	1.1
270.04669	1.7
271.02469	47.9
271.05942	5.8
272.03018	7.2
285.04065	5.2
286.04700	1.3
287.05634	2.2
295.08417	0.6
299.01944	64.1
300.02673	47.6
301.03238	3.4
305.08835	1.5
314.04300	61.3
315.05063	100.0
316.05466	8.3
357.05875	1.0
364.87326	0.7
386.51489	0.6
387.10846	1.0
417.15466	5.9
477.10355	36.2
478.10574	4.7
501.12332	0.7
517.30524	0.8
519.11420	43.2
520.11627	5.1
559.14502	13.7
560.14777	2.6
561.29230	1.5
579.17126	0.9
579.31055	0.9
621.15076	4.8
621.22565	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	619.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.2
59.01247	100.0
60.01587	1.5
61.98685	1.1
64.40465	0.5
69.03319	0.6
69.89199	1.3
69.89618	1.9
71.01248	1.1
72.67455	0.6
72.99174	0.8
73.02809	4.7
75.00758	1.4
83.02828	0.5
83.04902	1.2
85.02837	2.0
96.40983	0.5
101.05991	2.3
110.87970	0.5
113.05975	2.1
117.05467	1.7
149.14021	0.6
158.44946	0.5
203.87222	0.6
230.36136	0.5
254.13832	0.5
317.21317	0.8
357.24423	0.6
377.23404	1.1
403.25220	0.9
407.28320	0.8
417.26691	1.4
435.27368	7.8
436.27740	0.8
445.26279	1.2
459.27328	2.7
477.28513	24.2
478.29007	3.8
501.28500	3.7
514.88477	0.6
517.21143	1.0
519.29584	11.4
520.29993	2.5
561.30646	19.6
562.30627	3.4
587.25110	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64111	0.2
57.03321	1.2
59.01249	100.0
60.01589	1.1
61.98705	2.1
69.03318	0.2
69.15539	0.2
69.31893	2.1
71.01266	2.1
72.99179	5.2
73.02831	1.0
78.95798	0.3
83.01279	0.5
83.04897	2.3
85.02831	0.9
89.02349	0.9
90.98484	0.5
93.03374	0.3
95.01304	0.3
99.00751	0.4
101.02329	1.2
108.02075	0.9
109.02918	0.4
113.02348	0.6
113.05931	0.3
119.03407	0.4
119.04951	0.9
120.05401	0.3
121.02857	0.5
134.03593	0.3
143.03426	0.3
149.02390	0.5
151.00293	0.4
151.11212	0.8
152.01094	0.8
152.99471	0.3
153.01869	0.3
163.03932	0.3
165.01941	0.3
171.10260	0.4
175.00246	0.3
177.01930	0.4
190.02696	0.6
205.05013	0.7
219.06682	0.7
223.06126	0.3
228.02788	0.2
261.15115	0.3
265.07031	0.3
268.03967	0.4
269.04504	0.7
315.07361	0.7
339.07199	0.4
339.12393	1.3
375.21957	0.4
387.25293	0.4
389.26642	0.2
413.26718	0.4
415.24792	1.2
429.26996	0.3
431.28070	0.3
433.25726	1.1
439.24948	0.4
457.25912	1.3
475.26996	2.2
499.28735	1.3
508.09845	0.3
517.28644	1.0
541.27692	0.3
559.29059	19.6
560.29370	3.4
575.31592	0.5
577.29980	1.6
578.30634	0.4
619.31000	3.7
619.40332	0.4
620.31335	0.6
620.40503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.4
57.03312	2.7
59.01249	100.0
60.01563	1.0
61.98701	5.0
69.03315	1.5
69.27285	9.2
71.01256	20.0
72.58105	1.1
72.99181	3.5
73.02811	7.4
78.95763	2.1
83.01269	5.7
85.02829	11.4
87.00756	1.2
89.02322	3.0
95.01277	2.1
97.06487	1.1
99.00744	3.3
101.02320	16.3
103.03874	1.6
107.04948	1.1
108.02000	1.1
113.02347	8.2
119.04855	1.3
121.02810	1.8
125.02349	1.5
131.03355	1.2
139.03938	1.4
143.03357	1.9
149.02385	1.1
161.04454	2.0
164.04686	1.2
171.10175	3.1
190.02715	2.0
205.04926	1.2
209.11826	1.4
210.12129	1.5
213.12675	1.1
267.19562	1.5
268.03891	1.9
269.04416	2.2
285.20721	2.8
327.25473	2.1
416.37384	1.1
429.24915	7.8
429.29889	1.2
447.20319	1.6
447.25934	15.5
448.26514	1.5
471.26007	22.8
472.26358	3.4
489.26993	41.6
490.27625	4.1
531.28064	63.7
532.28290	8.4
575.34338	6.7
619.29944	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	619.2558
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.06726	0.6
51.74472	0.7
52.27457	0.7
55.19976	0.7
71.10136	1.7
73.60407	0.7
107.39683	0.7
111.95450	0.8
121.20381	0.7
213.99141	0.7
317.80896	0.7
401.14136	1.9
415.15680	3.8
416.16428	13.2
417.16766	2.4
429.17319	1.4
430.17752	2.7
431.18542	1.3
434.17426	1.2
444.15869	1.2
458.17633	1.4
459.18253	100.0
460.18558	17.3
473.19763	13.9
474.20352	6.1
487.17706	1.4
501.18927	1.8
503.17310	3.9
512.18896	1.2
517.18469	1.2
518.19586	46.8
519.19928	9.8
527.21240	0.8
532.21021	8.4
533.21912	97.0
534.22180	18.4
543.20947	1.0
544.21021	1.0
563.51892	0.9
587.23187	6.6
588.23724	1.2
619.25592	69.6
620.25897	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	619.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79807	1.6
59.68713	1.7
61.98694	3.7
68.84543	1.6
70.21596	1.8
71.23296	4.0
77.09637	1.6
100.40047	1.7
105.52193	1.8
122.83937	2.8
226.42807	2.1
401.13702	3.1
415.15652	4.5
416.16342	15.4
430.17676	2.6
459.18207	100.0
460.18314	11.6
473.19754	14.6
474.20410	7.5
503.17383	2.8
511.66437	2.2
518.19580	42.8
519.19983	7.8
521.97253	2.0
532.21130	7.5
533.21899	82.6
534.21991	15.1
569.88623	2.2
587.22943	4.3
611.14368	2.2
619.25592	67.7
620.25928	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	619.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14811	0.9
57.03318	6.1
58.00443	1.0
59.01247	26.4
61.98685	2.1
69.24823	7.3
71.01250	16.3
72.99162	1.5
73.02798	2.8
83.01246	1.5
85.02817	24.4
87.00740	1.8
89.02312	12.7
93.03331	1.1
96.95879	1.9
98.20590	1.8
99.00719	1.0
101.02315	10.5
103.03886	45.7
104.04196	1.1
108.02027	2.9
113.02306	6.0
116.68887	0.9
119.03394	5.4
119.04887	3.4
121.02821	3.5
123.04395	1.8
123.07703	1.0
124.10710	0.9
125.02327	1.4
136.97821	1.0
137.84019	0.8
143.03459	1.3
145.02809	2.2
145.04935	0.9
148.88313	0.9
151.00253	3.7
161.04477	1.6
173.02356	1.9
174.03151	6.3
175.03705	1.1
202.02663	2.7
205.04962	1.9
206.02147	1.3
207.08081	0.9
211.07541	1.2
215.03438	2.6
216.04015	1.3
217.04916	2.8
229.05002	2.8
235.07738	1.2
237.05519	2.2
247.08153	1.7
249.05324	2.1
250.06387	3.1
251.07059	5.4
261.05551	1.8
262.06323	1.3
263.07068	3.6
264.07831	2.9
265.04874	3.0
265.09250	57.6
266.05566	1.3
266.09558	2.9
267.06601	6.4
268.03717	1.4
268.07217	1.0
269.04492	5.9
271.06143	4.8
277.05011	3.3
278.05811	2.7
279.06601	10.0
279.10236	4.0
280.07358	2.1
281.08167	1.3
282.08899	3.7
283.09546	1.2
289.04776	1.2
292.07431	1.9
293.04623	4.3
293.08139	2.7
294.05450	2.3
294.08939	6.2
295.06290	1.9
295.09384	1.6
297.11252	1.6
305.04477	2.5
306.05246	2.5
307.06210	1.6
308.06885	8.3
309.07651	5.5
309.10962	1.3
310.08344	2.0
320.06976	2.2
321.07608	6.1
321.10898	1.3
322.08322	4.4
323.05524	8.1
323.09222	23.1
324.06094	1.1
324.09717	3.2
326.07751	1.9
335.05396	1.0
335.09204	5.0
336.09879	1.3
337.07108	2.0
338.07932	10.5
339.08527	1.9
339.12228	2.0
341.10245	7.0
353.10266	53.4
354.10535	4.7
364.09244	2.3
365.06619	3.7
371.24609	1.0
380.08926	4.3
383.11575	4.5
395.11267	17.1
396.11557	1.0
437.12650	0.9
443.13480	2.1
455.13312	2.8
455.19019	2.2
483.15002	6.9
484.15222	1.4
518.72937	1.0
569.16656	1.2
579.17157	4.2
589.11072	0.7
589.19165	40.8
590.19342	5.9
601.19196	100.0
602.19537	13.8
619.20282	33.6
619.32166	1.3
620.20276	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	619.2029
Annotation	Masutakeside I
Peak:m/z	Relative Intensity
53.14811	0.9
57.03318	6.1
58.00443	1.0
59.01247	26.4
61.98685	2.1
69.24823	7.3
71.01250	16.3
72.99162	1.5
73.02798	2.8
83.01246	1.5
85.02817	24.4
87.00740	1.8
89.02312	12.7
93.03331	1.1
96.95879	1.9
98.20590	1.8
99.00719	1.0
101.02315	10.5
103.03886	45.7
104.04196	1.1
108.02027	2.9
113.02306	6.0
116.68887	0.9
119.03394	5.4
119.04887	3.4
121.02821	3.5
123.04395	1.8
123.07703	1.0
124.10710	0.9
125.02327	1.4
136.97821	1.0
137.84019	0.8
143.03459	1.3
145.02809	2.2
145.04935	0.9
148.88313	0.9
151.00253	3.7
161.04477	1.6
173.02356	1.9
174.03151	6.3
175.03705	1.1
202.02663	2.7
205.04962	1.9
206.02147	1.3
207.08081	0.9
211.07541	1.2
215.03438	2.6
216.04015	1.3
217.04916	2.8
229.05002	2.8
235.07738	1.2
237.05519	2.2
247.08153	1.7
249.05324	2.1
250.06387	3.1
251.07059	5.4
261.05551	1.8
262.06323	1.3
263.07068	3.6
264.07831	2.9
265.04874	3.0
265.09250	57.6
266.05566	1.3
266.09558	2.9
267.06601	6.4
268.03717	1.4
268.07217	1.0
269.04492	5.9
271.06143	4.8
277.05011	3.3
278.05811	2.7
279.06601	10.0
279.10236	4.0
280.07358	2.1
281.08167	1.3
282.08899	3.7
283.09546	1.2
289.04776	1.2
292.07431	1.9
293.04623	4.3
293.08139	2.7
294.05450	2.3
294.08939	6.2
295.06290	1.9
295.09384	1.6
297.11252	1.6
305.04477	2.5
306.05246	2.5
307.06210	1.6
308.06885	8.3
309.07651	5.5
309.10962	1.3
310.08344	2.0
320.06976	2.2
321.07608	6.1
321.10898	1.3
322.08322	4.4
323.05524	8.1
323.09222	23.1
324.06094	1.1
324.09717	3.2
326.07751	1.9
335.05396	1.0
335.09204	5.0
336.09879	1.3
337.07108	2.0
338.07932	10.5
339.08527	1.9
339.12228	2.0
341.10245	7.0
353.10266	53.4
354.10535	4.7
364.09244	2.3
365.06619	3.7
371.24609	1.0
380.08926	4.3
383.11575	4.5
395.11267	17.1
396.11557	1.0
437.12650	0.9
443.13480	2.1
455.13312	2.8
455.19019	2.2
483.15002	6.9
484.15222	1.4
518.72937	1.0
569.16656	1.2
579.17157	4.2
589.11072	0.7
589.19165	40.8
590.19342	5.9
601.19196	100.0
602.19537	13.8
619.20282	33.6
619.32166	1.3
620.20276	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	619.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82104	0.2
56.97649	0.2
57.03324	0.4
59.01247	9.8
59.01529	0.5
61.98714	0.4
63.02258	1.7
65.00184	1.1
69.03317	0.3
69.25941	2.2
69.26349	0.5
71.01249	4.0
72.99178	0.3
73.02824	1.3
81.03373	0.2
83.01280	1.0
85.02807	1.7
89.02321	2.0
93.03375	0.3
95.01299	0.4
96.95912	0.6
97.43068	0.2
101.02311	2.0
102.67374	0.2
103.03903	0.3
105.03335	0.3
107.01262	2.1
108.02073	1.0
109.02843	0.7
111.00768	0.4
113.02316	2.3
116.92747	0.3
117.03347	3.7
119.03421	0.9
119.04934	0.9
121.02858	0.5
122.03634	0.3
123.04410	0.4
125.02323	0.5
135.04457	0.8
137.02365	0.4
138.64610	0.3
140.99332	0.2
143.03375	0.4
149.02344	1.2
151.00272	1.8
152.01039	1.9
153.01848	0.5
157.06404	0.2
159.04433	1.6
160.03908	0.3
161.02332	1.0
161.04489	0.7
163.03857	1.3
167.03448	0.6
169.06517	0.7
171.04454	0.4
172.05209	0.3
179.05479	0.5
181.05025	1.2
181.06468	0.5
183.04446	0.8
190.02585	0.4
194.12907	0.2
196.05223	0.7
197.06012	0.9
200.04671	0.4
201.05513	0.7
203.03552	0.3
205.04979	0.5
207.02957	0.3
211.03987	0.6
223.06053	0.3
224.04655	0.3
225.05563	1.4
227.03358	0.4
239.03459	1.2
240.04347	1.5
241.14461	0.5
265.09283	0.5
266.09634	0.4
267.02948	0.6
268.03757	22.1
269.04532	100.0
270.04901	7.8
293.10217	1.4
294.28064	0.3
309.12030	0.5
315.07391	0.4
323.11359	0.9
333.11774	0.9
345.43726	0.3
353.12445	0.3
368.16510	0.2
413.14502	0.4
431.16833	0.3
455.09521	0.6
473.10983	0.4
481.20261	0.3
499.29211	0.3
504.28140	0.3
517.26678	0.3
559.14478	0.6
559.28052	1.1
575.30035	0.6
577.15546	2.3
577.28455	0.6
618.34741	0.9
619.16534	47.1
620.16833	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	618.255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33253	0.2
59.01249	1.3
59.21453	0.2
61.98700	100.0
66.11627	0.2
70.90449	0.6
71.01230	0.2
82.92788	0.2
101.05962	4.6
116.92718	0.3
191.18742	0.2
202.85568	0.2
234.55247	0.2
235.15190	0.3
303.09842	0.2
391.34055	0.2
452.86545	0.2
527.36554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	21.6
60.01581	3.8
61.01680	2.8
61.98698	100.0
62.33190	1.2
63.27868	1.1
64.76594	1.1
71.29716	2.1
82.27679	1.3
96.25481	1.1
98.20419	1.3
108.97511	1.2
130.36690	1.2
135.31998	1.2
159.68512	1.1
268.59259	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	619.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
59.01250	7.1
61.51646	0.2
61.98711	0.3
63.02266	2.1
65.00230	1.0
70.34340	0.8
71.01244	2.8
73.02816	1.2
76.36855	0.2
81.03366	0.3
83.01251	1.6
85.02833	1.2
87.00764	0.4
89.00206	0.3
89.02317	1.7
93.03382	0.7
95.01292	0.6
96.00460	0.2
96.95927	0.4
99.00777	0.2
101.02323	2.0
103.03904	0.5
107.01275	2.2
108.02095	1.6
109.02853	0.5
113.02325	1.4
117.03347	3.7
119.03414	1.0
119.04945	0.9
121.02867	0.6
123.04452	0.3
125.02395	0.6
129.71718	0.2
135.04422	0.8
143.03378	0.3
148.01553	0.4
149.02325	1.3
149.04494	0.2
151.00266	2.2
152.01088	1.8
152.07135	0.4
153.01865	0.4
156.53310	0.2
159.04471	1.5
161.02371	0.9
161.04414	0.4
163.03941	0.9
167.03426	0.7
169.06456	0.5
171.04459	0.5
181.04996	1.4
181.06424	0.4
183.04460	0.8
191.03403	0.4
195.04469	0.4
196.05219	0.8
197.05939	0.8
199.03880	0.2
201.05574	0.8
205.05034	0.4
209.04474	0.3
211.03992	0.9
212.04691	0.5
224.04828	0.4
225.05525	1.3
227.03500	0.8
239.03453	1.3
240.04309	1.3
241.14478	0.3
265.09189	0.4
266.09344	0.3
267.02982	0.8
267.09766	0.5
268.00748	0.3
268.03754	22.2
269.04529	100.0
270.04892	8.4
293.10236	0.9
309.11841	0.4
315.07407	0.3
323.11414	0.8
333.11707	0.4
413.09140	0.3
455.09622	0.7
473.10553	0.4
536.30597	0.3
559.14410	0.7
559.27130	0.5
577.15576	2.7
577.28186	0.5
578.15509	0.4
618.34802	0.6
619.16516	45.4
620.16852	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	618.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88918	0.3
59.01246	4.4
61.98699	100.0
62.01988	0.3
66.12757	0.3
69.21072	3.2
69.21404	0.4
79.61004	0.3
105.71996	0.4
110.81356	0.3
176.31828	0.3
203.90770	0.3
211.97128	0.3
446.48721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95786	0.6
57.68255	0.6
59.01249	38.1
59.16682	0.6
60.01586	5.2
61.01667	4.6
61.98700	100.0
70.81973	1.6
99.92046	0.6
106.18639	0.8
119.04918	0.9
120.86320	0.7
149.70985	0.6
237.75288	0.7
246.01665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.7
60.01591	0.3
61.01675	0.3
61.98699	100.0
62.98404	0.1
64.75997	0.1
69.99783	0.6
98.20320	0.2
110.69722	0.1
115.14753	0.1
136.75130	0.1
137.23134	0.1
173.36079	0.1
179.56915	0.1
188.61115	0.1
220.60019	0.1
264.29471	0.1
462.35541	0.1
617.37354	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	618.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	41.4
60.01587	5.2
61.01675	5.5
61.98702	100.0
71.10392	1.1
72.36603	0.6
85.04048	0.5
93.30653	0.5
101.05936	1.2
122.71331	0.5
171.47012	0.6
184.44481	0.5
375.06635	0.6
619.13525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	18.3
69.03323	0.7
69.46614	0.7
70.87474	0.7
71.01249	9.1
72.99170	1.1
73.02779	0.9
73.47355	0.9
83.01254	1.3
85.02808	2.8
87.00739	1.5
89.02315	8.9
96.95865	2.1
99.00752	1.5
101.02320	7.9
108.02016	2.2
109.02827	1.8
113.02312	3.0
119.03395	2.2
121.02811	4.2
122.03632	5.5
125.02341	1.1
131.03326	1.0
135.04402	1.0
136.01570	0.9
149.02354	4.3
150.03065	5.4
161.02324	3.4
172.21335	0.8
181.05042	0.8
189.05452	1.1
201.29341	0.9
203.10693	4.2
203.74751	0.9
221.11797	7.4
231.10194	4.8
249.11235	6.7
288.07190	0.8
383.12341	1.7
383.17047	17.6
384.17490	2.2
409.15192	1.6
411.16574	100.0
412.16904	10.8
437.14713	4.2
455.15521	18.3
456.15833	2.8
617.20819	34.9
618.20911	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	617.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83055	0.4
57.15755	0.4
59.01248	100.0
60.01575	1.2
61.72728	0.4
61.98698	1.4
62.16636	0.3
62.36406	0.4
68.99688	1.4
69.03321	0.5
71.01252	1.8
71.52573	0.6
72.99239	0.3
73.02808	0.4
83.04922	0.6
85.02821	1.3
87.04386	12.5
87.04895	0.6
88.98668	0.5
89.02322	0.7
90.98458	0.4
95.01249	0.9
97.06492	0.8
101.02321	1.3
109.02824	0.5
109.06516	0.5
113.02343	0.8
119.04930	0.7
121.06495	0.4
125.05982	1.2
135.04390	0.7
153.00418	0.4
163.03812	0.5
171.10184	2.1
185.06149	0.3
201.11284	0.6
209.11760	2.3
211.13509	0.4
227.12729	0.6
255.12357	0.8
411.14441	2.3
443.20535	2.3
455.20776	1.0
499.19849	2.1
513.25000	4.4
514.25439	0.6
529.24420	3.3
557.23798	8.0
558.24744	1.0
617.33630	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01579	0.8
61.98701	1.7
68.99700	1.2
69.03313	0.4
69.35002	0.8
69.35418	1.9
71.01254	2.5
72.99170	0.4
73.02827	0.7
81.03323	0.4
83.01297	0.5
83.04901	0.7
85.02842	1.4
87.04385	13.9
88.98669	0.8
89.02331	0.5
89.79261	0.3
92.24200	0.3
93.03346	0.4
95.01291	1.1
97.02824	0.4
97.06490	0.9
98.19731	0.3
99.00787	0.5
101.02326	0.7
107.04939	0.4
109.02866	0.6
112.01601	0.4
113.02325	0.6
119.03354	0.3
119.04932	0.4
121.02863	0.6
125.05978	0.7
125.09612	0.4
135.04422	0.3
151.03931	0.4
163.03966	0.8
171.10150	3.0
175.95531	0.3
183.13803	0.8
203.07097	0.5
209.11742	2.4
227.12851	0.4
229.68672	0.3
237.07613	3.8
245.10742	0.4
255.12411	0.4
303.82947	0.3
399.17981	0.4
411.14572	2.7
443.20575	2.3
444.21194	0.4
455.20938	1.0
459.24252	0.4
477.77975	0.4
499.20105	1.5
513.24915	4.4
514.25409	0.8
529.24603	2.2
530.25043	0.6
557.23859	6.8
558.24530	1.6
617.23022	0.6
617.32947	2.5
618.33154	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.4
57.03328	0.5
58.00463	0.3
59.01249	6.5
61.98416	0.2
61.98695	1.6
65.00192	11.1
66.81102	0.2
67.01761	5.5
71.01254	3.6
72.99180	6.2
73.02818	8.8
74.99004	0.3
83.01257	4.8
83.04871	0.5
85.02812	2.2
87.00742	0.7
89.02311	1.2
91.05392	0.2
93.03323	2.1
95.01229	0.3
95.28880	0.3
96.95856	0.7
97.02827	23.5
98.03176	0.5
99.00756	1.5
99.04389	1.7
101.02322	1.8
103.03895	0.8
107.04905	0.5
108.02050	0.5
109.02847	0.3
111.00761	22.7
111.04392	0.3
111.08050	0.3
112.01090	0.6
112.98689	0.5
113.02328	1.7
113.05950	0.4
115.00206	0.3
115.03888	1.1
116.05447	0.2
117.03337	0.8
119.04912	100.0
120.05230	3.6
121.02837	3.8
123.04410	0.6
125.02290	1.1
134.03671	0.3
135.04382	0.6
136.98703	2.2
137.02332	0.3
143.03398	20.4
144.03683	0.5
145.02835	0.4
148.05029	0.3
149.02284	0.6
151.00266	0.5
152.01033	0.6
153.01828	0.6
154.99759	0.4
160.03969	1.4
161.04428	0.9
161.05904	0.4
163.03914	64.6
164.04248	3.3
169.01331	81.3
170.01711	2.2
171.10214	0.9
175.00255	0.3
177.01762	0.3
187.02374	2.2
190.02658	0.6
193.06625	0.4
195.08058	1.9
197.06027	0.7
205.04997	1.2
209.11801	0.9
223.07628	10.1
224.07913	0.9
225.10268	0.3
227.12827	0.3
230.08195	0.9
231.08463	0.5
241.14438	0.3
249.11275	0.8
259.05786	0.3
265.09357	0.5
269.04489	1.1
285.04071	0.4
305.13898	0.3
369.22775	0.3
429.11877	22.1
430.12222	2.9
449.17969	0.4
467.26450	0.4
485.27457	0.5
509.27664	0.7
527.28491	0.3
599.24823	0.6
617.22583	0.7
617.32416	0.7
628.93726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	0.5
59.84658	0.2
63.75091	0.2
65.00190	1.2
67.01423	0.2
67.01749	1.2
70.13988	0.8
71.01251	0.4
71.32095	0.2
72.99170	0.4
73.02824	1.5
83.01259	0.4
85.02822	0.2
93.03337	0.6
97.02825	3.0
99.04389	0.4
101.02347	0.3
111.00755	6.7
112.01105	0.3
117.03404	0.2
119.04909	96.4
120.05237	3.3
121.02835	0.5
136.98685	0.2
143.03389	4.0
147.04393	0.2
162.08464	0.2
163.03908	100.0
164.04254	4.2
169.01328	12.1
170.01682	0.3
180.59622	0.2
187.02347	2.0
192.63441	0.2
193.71335	0.2
205.04906	0.2
223.45146	0.2
324.33926	0.2
411.13882	0.2
429.11856	6.0
430.12155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	10.3
61.98695	1.8
63.02261	2.5
65.00195	1.0
68.99678	0.5
69.23694	4.6
71.01260	3.0
73.02824	1.0
83.01254	2.1
85.02830	2.0
89.02328	1.3
93.03323	0.8
100.51221	0.4
101.02302	1.3
103.03882	1.1
107.01283	3.2
108.02049	0.8
111.00713	0.5
113.02338	0.8
117.03334	4.0
119.04917	2.1
121.02827	1.4
125.02348	0.9
135.04433	0.9
135.75102	0.4
137.02304	0.7
139.03882	0.9
143.03299	0.6
146.02382	3.0
147.02705	0.8
148.01549	0.6
149.02324	1.8
149.99452	1.0
150.36128	0.6
151.00246	3.7
159.04407	1.1
161.02264	0.6
161.04471	0.7
163.03873	1.3
164.03401	1.3
171.04372	1.3
171.10181	7.9
172.05219	0.8
175.00342	1.2
177.01875	2.3
178.99733	1.2
183.04445	0.9
185.02335	0.6
190.02576	1.0
195.04385	0.6
196.05153	1.4
200.04628	0.9
201.05437	0.9
205.04906	0.6
209.11748	6.5
211.03918	2.7
212.04565	0.8
224.04607	0.8
225.05458	1.2
227.03383	1.0
227.12785	1.0
239.03438	4.2
240.04175	5.3
253.09410	0.6
267.02966	2.2
268.03748	100.0
269.04431	27.7
270.04788	1.7
283.02441	1.0
295.02481	2.0
296.03241	18.5
297.04010	39.3
298.04276	2.3
351.08722	0.8
513.13751	0.8
531.14716	0.7
573.16089	69.3
574.16547	8.8
617.34064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01575	0.9
60.19049	0.2
69.17947	1.6
83.14854	0.2
87.20663	0.2
98.20015	0.8
101.05956	3.7
150.49632	0.1
179.74875	0.2
193.72458	0.1
395.15259	0.2
525.25507	0.3
555.25885	1.5
556.26727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30027	0.3
59.01248	100.0
60.01581	1.1
71.39317	0.7
101.05937	3.1
103.97538	0.3
418.06699	0.4
471.20309	0.8
555.26208	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01584	1.0
61.09934	0.2
61.98711	0.3
69.17618	0.8
69.18046	1.5
76.95461	0.2
84.54738	0.2
93.47113	0.2
101.05955	1.0
370.88855	0.2
555.26099	0.3
586.49927	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01603	0.7
69.61250	3.1
98.20533	0.9
101.05958	2.6
189.13019	0.4
302.39902	0.5
395.14920	0.7
497.21802	0.7
555.26770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00213	0.5
50.76767	0.4
54.95996	0.4
57.03324	4.2
57.92287	0.4
57.97432	3.8
58.00460	0.5
59.01252	18.4
59.45107	0.5
61.98693	2.0
62.71573	0.4
67.01781	0.7
69.20973	0.4
69.32210	3.8
71.01254	12.3
71.04874	0.6
72.99168	1.1
73.02821	9.7
75.91120	0.4
77.16559	0.5
83.01260	4.0
83.99004	3.8
85.02821	14.5
87.00740	1.1
87.04369	0.4
89.02321	3.2
93.03344	2.3
95.01250	1.1
96.95892	0.7
99.00736	0.7
99.04373	0.8
101.02328	6.6
103.03886	26.1
107.04893	0.6
108.02047	1.5
108.82731	0.4
109.02802	0.6
111.00789	0.6
113.02348	2.9
117.05451	0.6
119.03377	1.4
119.08503	0.6
121.02801	1.3
121.62783	0.4
123.04397	1.1
128.84377	0.5
135.04443	3.1
137.02356	3.3
141.99562	0.6
145.04939	0.6
147.04443	2.2
149.02350	0.6
151.00197	0.4
152.01067	1.3
152.07156	0.5
160.03940	2.5
161.05952	0.6
163.03897	0.8
163.07545	10.0
164.04684	0.5
164.92683	0.4
165.05423	0.7
174.01570	0.9
175.00215	1.1
187.07555	3.2
189.05516	3.5
190.02647	1.8
193.08669	1.1
203.10735	1.5
204.01183	10.7
205.05026	2.3
205.08658	5.4
207.04695	0.7
207.06566	8.9
208.06824	0.8
209.00391	0.5
221.08139	0.8
223.06129	0.7
229.08545	0.8
231.06621	2.3
247.09805	9.1
248.00241	1.7
262.01767	1.3
265.11118	13.7
266.11380	0.6
279.12354	3.0
285.03867	0.6
289.10779	2.9
303.01846	0.4
307.11868	18.4
308.12167	1.9
319.11896	0.6
349.16559	0.6
353.08453	0.5
367.09946	0.7
367.17532	4.6
391.17517	0.7
409.07443	0.5
409.18488	2.1
495.19034	0.8
513.19519	1.1
543.89771	0.5
572.13666	1.7
572.21716	0.5
615.26550	100.0
616.26923	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	615.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	8.3
61.98695	1.6
69.51582	4.6
69.52022	3.1
71.01239	5.0
73.02786	1.1
73.68567	1.0
85.02842	2.2
87.04385	4.5
89.02333	2.0
93.31651	1.1
96.95889	1.5
98.03542	0.9
98.99655	1.2
101.02320	2.7
113.02306	1.4
121.02776	1.3
123.04381	2.5
125.05910	1.4
135.04381	2.1
149.04456	1.3
149.05966	1.7
151.07541	22.4
162.03087	1.2
163.03928	1.1
171.47794	1.1
177.12746	1.6
193.08632	3.9
193.12263	2.1
203.10693	3.1
205.08609	13.9
220.11087	1.6
221.11761	43.6
222.12021	2.3
247.09703	7.9
265.10864	10.4
346.18024	1.2
349.16580	2.1
367.17581	100.0
368.17871	10.7
571.24249	5.2
572.24646	1.4
615.19806	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	613.483
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31914	0.2
68.35693	0.2
69.70026	1.4
84.59699	0.2
87.44001	0.2
95.28864	0.2
228.43011	0.3
261.22180	0.6
261.43448	0.2
279.23267	100.0
280.23608	8.8
280.26727	0.4
292.47623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03328	1.1
58.00473	1.4
59.01246	27.0
61.98700	12.5
69.03339	1.2
69.81776	5.6
71.01252	18.7
72.01595	1.4
72.99175	2.3
73.02826	3.5
75.00726	1.6
83.01258	3.6
85.02820	6.2
87.00748	3.2
89.02297	7.1
93.03315	3.5
96.95881	5.0
99.00748	3.4
101.02328	7.5
101.85607	1.1
103.03867	2.3
107.04902	1.5
109.02824	1.9
111.00719	1.7
113.02311	5.1
119.03374	3.7
119.04890	1.6
121.02792	1.4
123.04438	1.4
133.04935	4.3
135.04379	1.6
137.02338	1.1
151.06044	6.6
152.01041	2.2
152.07040	1.6
153.01834	1.3
159.03174	5.8
161.04570	2.6
162.01860	1.0
163.35690	1.0
172.03990	4.1
174.05519	6.0
175.06052	3.7
182.59784	1.3
185.04601	1.4
186.01913	10.1
187.02126	1.2
187.06331	9.4
197.04715	1.6
200.03424	3.7
200.07091	3.9
201.04178	1.6
202.08719	2.7
204.06667	2.3
210.05602	3.1
213.04176	1.6
214.05026	8.9
214.08565	1.5
215.05812	13.3
220.06079	1.3
224.07065	2.0
226.05171	1.4
226.08664	2.5
227.05811	1.3
228.06735	2.6
229.07492	1.3
230.04605	1.9
230.08142	16.6
239.05814	5.5
240.06590	2.1
241.07269	1.1
242.04573	10.9
242.08171	2.8
243.05222	2.8
244.03741	1.8
244.05911	5.4
244.09642	1.6
248.09224	3.2
254.08180	15.5
255.05226	7.8
256.06094	4.7
256.09818	4.2
257.06866	4.1
258.07663	23.1
259.08188	1.8
260.09268	2.8
265.09247	2.2
270.04984	1.6
270.07715	9.2
272.05606	2.9
272.09253	5.8
274.07175	43.2
274.10269	2.4
275.07474	2.4
286.07336	2.6
288.08743	5.6
295.10287	8.9
296.09412	3.2
298.07294	3.0
300.08759	8.9
301.05783	2.1
304.08405	1.3
312.08771	1.8
314.10382	7.7
316.08231	100.0
317.08612	9.0
328.08102	2.1
340.08212	4.0
346.09262	2.2
358.09314	17.6
359.09525	1.6
376.10349	35.5
377.10632	3.8
411.16492	1.7
453.17404	3.3
472.61758	1.2
492.54080	1.1
570.18176	6.7
614.16724	2.6
614.27051	2.0
615.22650	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	613.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
61.98692	5.2
96.69145	1.5
104.81886	1.6
118.08560	1.5
121.02827	5.3
137.18909	1.5
163.16080	1.4
165.09212	1.5
178.74837	1.6
189.21909	1.5
330.11307	1.6
335.18964	1.9
346.55679	1.4
365.85773	1.5
410.90222	1.5
427.21533	3.7
471.20233	5.2
613.31763	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.9
59.01246	19.9
61.98703	5.6
69.41604	5.8
71.01242	4.9
72.99191	1.0
73.02789	1.9
79.95606	6.8
80.12419	0.6
83.01260	1.5
83.04901	0.8
85.02840	3.9
87.00716	1.1
89.02309	2.3
93.03369	1.7
95.95107	13.1
96.04426	1.2
96.95886	52.4
101.02343	4.0
107.01237	0.8
107.04901	1.4
108.02036	1.3
109.02831	0.8
113.02304	3.5
116.20037	0.6
117.03366	0.6
119.03388	1.2
119.04896	2.9
120.01123	0.8
121.02802	2.5
122.03638	1.2
123.04388	0.8
125.02301	1.1
130.04115	1.1
134.03613	0.7
135.04353	1.3
136.99039	0.8
137.02330	1.6
145.02785	1.4
149.02304	1.2
150.03146	1.1
151.00215	1.0
152.07065	1.8
153.01761	0.8
154.08672	0.8
159.07965	0.8
160.03934	1.4
161.02335	1.5
161.04578	0.9
163.03922	1.9
164.04622	0.9
165.01752	0.9
165.05461	1.6
168.20676	0.6
179.03453	0.8
179.05432	0.6
181.04990	1.2
184.56265	0.7
190.02693	1.2
195.06461	1.1
205.04955	1.0
216.91191	0.8
227.14331	0.9
241.14330	1.8
242.14400	0.7
245.04475	1.1
245.15517	1.3
269.04550	2.1
271.06195	0.8
271.13315	1.9
289.14398	9.7
315.07022	0.8
315.12631	9.8
341.14362	1.1
378.66769	0.8
449.23819	0.8
451.19748	2.6
493.22784	5.6
509.25937	2.7
553.24713	33.6
554.24921	5.0
613.26843	100.0
614.27057	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	613.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15488	0.8
57.03310	0.9
59.01250	100.0
61.98695	3.0
69.29233	8.6
71.01244	0.8
74.96056	0.9
79.49048	0.9
85.02797	1.2
94.31704	0.7
99.04410	4.0
101.05969	7.4
128.88370	0.8
133.00681	0.8
144.84625	0.9
152.99536	1.7
159.01834	4.5
160.56944	0.8
171.10237	1.2
296.75540	1.0
315.39023	0.8
394.78217	1.0
419.99930	0.8
427.21365	2.0
456.04132	1.0
471.20108	3.6
472.20343	0.9
553.24414	0.9
613.21338	1.4
613.29633	1.6
613.38275	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44967	0.3
59.01249	100.0
60.01591	0.5
61.98702	8.7
69.22732	2.6
77.78072	0.3
89.19667	0.3
98.19775	0.5
195.34540	0.3
490.72046	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	8.8
58.00469	2.4
59.01247	100.0
61.98709	24.5
67.69174	1.9
68.62641	2.4
69.03352	2.6
70.54244	4.8
71.00893	4.3
71.01254	45.8
72.99178	9.6
73.02810	14.3
75.00715	2.8
77.09577	2.4
77.40866	2.2
79.95632	2.8
83.01246	5.6
83.04892	3.5
85.02825	26.5
87.00733	5.5
89.02299	11.9
89.16320	2.2
93.03337	9.1
95.01248	6.2
96.95879	6.5
99.00751	5.4
99.04375	4.2
101.02310	27.1
103.03882	4.9
106.04143	3.4
107.04919	5.7
108.02057	7.2
109.02831	5.6
111.00735	2.2
113.02339	18.5
115.03889	13.5
116.92709	2.8
119.03377	6.0
119.04922	24.4
120.01108	2.7
121.02858	15.9
122.05972	3.5
123.04385	3.4
125.02306	7.6
128.03406	7.2
129.01836	2.3
135.04401	5.6
137.02342	7.3
139.07518	3.0
143.03409	3.8
143.04535	4.8
145.02849	2.5
149.02260	5.5
150.03107	6.4
151.00276	6.5
151.03880	3.0
152.01006	5.5
153.01840	4.0
160.03951	29.9
161.02354	3.5
161.04425	10.9
161.09546	2.4
161.13223	5.8
163.03903	10.0
164.04579	3.3
165.01799	2.9
165.05542	3.0
172.96387	2.2
174.01517	5.4
175.00420	2.8
175.03954	2.9
181.04861	3.1
184.07596	4.0
187.11206	21.9
190.02663	3.8
195.06541	2.8
195.13826	7.6
205.05042	5.9
205.12247	22.9
209.11858	2.8
223.05986	3.8
224.13780	2.5
227.03424	3.2
233.10252	5.5
239.12888	14.1
241.14490	5.0
245.08217	2.6
254.07872	3.9
257.15509	5.9
263.12909	3.0
265.09317	4.9
269.04483	7.9
271.06253	3.2
272.08792	4.9
277.09335	21.9
285.03937	3.7
289.14511	9.3
305.14005	3.0
319.11093	2.6
351.09079	2.2
433.18417	2.5
449.17853	5.5
451.20038	3.1
465.21188	7.1
509.20123	4.4
569.22528	6.7
613.23688	22.5
614.24420	2.2
614.29993	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	612.3174
Annotation	Chasmaconitine
Peak:m/z	Relative Intensity
53.52116	0.6
59.01256	3.9
61.09464	0.6
61.98691	2.6
71.01255	0.6
71.52917	1.1
77.03868	0.7
118.17284	0.6
121.02836	100.0
122.03172	3.9
144.04448	0.6
171.10217	0.5
180.05699	1.9
181.06487	7.1
198.09189	0.6
225.05527	7.6
269.04449	0.5
275.08215	1.4
305.72800	0.6
313.07159	15.3
314.07410	1.8
357.06128	9.0
358.06314	0.6
378.99149	0.6
612.31702	50.5
613.31830	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	613.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.6
59.01251	8.7
61.98708	1.9
63.02275	1.9
63.26757	0.4
65.00193	13.1
65.00526	0.8
69.03344	0.5
71.01259	4.8
71.52673	0.6
72.99185	0.4
73.02834	1.8
81.32086	0.5
82.07700	0.4
83.01257	6.9
85.02831	2.3
87.00791	0.5
89.02333	1.9
91.01794	0.4
93.03334	7.1
95.01290	1.3
95.04893	0.6
96.95901	1.5
97.02845	1.1
98.83653	0.4
99.00802	0.5
100.59264	0.4
101.02341	2.6
103.01762	0.5
103.03912	0.9
107.01265	17.8
108.02095	0.6
108.99191	0.4
109.02848	1.3
111.00793	0.7
113.02335	1.4
117.03340	4.8
119.01316	0.7
119.04914	1.9
121.02839	2.7
122.96034	0.4
123.00803	0.6
123.04417	1.2
125.02337	18.9
131.01285	1.1
132.71565	0.5
135.04410	5.9
136.01646	0.6
137.02351	1.8
139.03909	1.3
145.02890	0.8
145.06522	0.5
149.02335	3.6
150.03072	1.7
151.00272	42.9
151.03844	0.9
152.00809	1.5
153.01807	0.8
157.06497	0.7
158.03625	0.6
159.03117	0.8
159.04390	5.4
160.03885	2.1
161.02351	14.0
161.04373	0.7
162.02887	0.5
163.03920	1.2
164.04715	1.6
165.01842	1.8
165.05496	0.8
166.02617	0.5
167.03453	0.8
169.01347	1.5
173.06035	1.2
174.01631	0.6
175.00275	8.4
176.01103	2.7
177.01628	1.2
177.05492	3.7
178.02722	0.4
181.04959	0.6
185.06128	0.5
190.02647	5.4
191.03419	4.3
192.03706	0.5
193.01402	1.5
201.05502	8.8
205.05008	3.8
206.05627	0.9
207.06682	0.5
209.04503	0.9
215.07047	0.5
223.06058	2.7
229.05077	0.7
243.02888	1.7
244.03809	0.9
245.04514	100.0
246.04828	6.4
251.05446	0.6
257.04541	0.5
259.06097	12.1
265.09363	0.9
269.04535	13.4
270.04880	1.6
271.06015	0.8
283.06094	0.6
284.03061	0.6
285.03986	4.8
286.04300	0.7
287.05609	7.6
299.05557	0.7
305.14078	0.7
311.05487	0.6
325.09326	1.0
353.08777	4.6
367.10242	1.7
451.19434	1.5
493.13434	2.9
493.20175	0.8
519.11145	0.8
568.39417	0.5
569.23346	0.6
570.23358	0.6
612.27496	1.4
613.15479	33.6
613.26282	4.1
614.15881	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	611.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.9
59.01246	6.3
61.98702	2.6
71.01252	1.2
73.02831	0.4
78.95774	55.5
80.96352	0.5
85.02812	0.6
96.96838	9.9
97.06470	0.8
101.02342	0.9
113.02322	0.7
113.09607	1.4
150.97903	0.8
152.99489	65.3
153.99849	1.0
171.00540	2.1
179.14314	1.0
181.12270	0.6
195.13826	18.0
196.14177	1.0
209.11836	0.8
211.28748	0.5
223.00076	7.1
225.11415	0.6
241.01151	21.6
242.01538	0.6
245.08072	3.3
247.02310	0.4
251.99004	0.5
257.43213	0.4
259.02295	1.4
277.21722	16.0
278.21951	1.2
295.22778	52.1
296.23059	4.5
315.04868	8.4
333.05869	1.1
345.64569	0.4
357.20731	0.8
375.21567	0.9
449.23230	0.6
593.29785	0.6
611.28326	100.0
612.28711	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	611.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87480	0.3
57.03329	0.3
59.01245	5.4
61.98701	0.6
71.01246	1.3
73.02833	0.3
85.02817	0.8
87.00723	0.4
89.02306	0.6
90.57700	0.3
93.03338	0.5
95.01251	0.3
95.43911	0.3
100.34234	0.3
101.02319	1.1
108.02060	0.4
113.02247	0.4
121.02789	0.7
124.20080	0.3
139.91090	0.3
145.02827	2.3
147.04323	0.3
149.02339	0.7
151.00357	0.3
163.03802	0.3
164.04655	0.9
173.02328	1.1
174.03137	12.5
175.00281	0.9
175.03896	3.9
176.01042	0.8
177.01718	0.3
178.02538	0.4
183.08058	0.5
190.02612	2.8
191.03337	0.5
199.07591	1.0
201.09163	1.7
205.05029	2.1
206.02142	5.9
206.05534	0.3
207.02654	0.5
223.06041	0.9
225.07661	0.4
227.07095	5.4
228.07362	0.4
241.14381	1.1
245.08147	100.0
246.08458	7.0
265.07098	1.0
288.44220	0.3
343.57080	0.3
378.57001	0.3
403.23212	0.3
507.22910	0.3
593.64575	0.4
611.27039	4.1
612.26910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.2
58.00457	0.6
59.01247	11.8
61.98693	2.4
67.54810	0.5
69.39149	2.9
69.39558	0.9
70.65290	0.4
71.01254	6.6
72.99181	1.0
73.02813	1.7
75.00731	0.9
83.01221	0.8
83.83611	0.4
85.02822	2.5
87.00758	1.1
89.02285	2.4
91.01784	1.1
93.03328	2.4
93.04386	0.5
95.01297	0.7
96.95891	0.8
99.00762	0.8
101.02322	2.9
103.03874	0.8
107.04880	0.7
108.02045	0.8
109.02802	1.0
113.02316	1.9
119.01259	3.9
119.03453	0.9
119.04974	0.7
121.02824	2.8
123.04380	0.6
125.02372	0.5
134.03609	1.1
135.04404	2.1
137.02361	2.7
147.00760	3.6
147.04427	0.8
149.02328	12.9
149.06061	0.5
150.03117	0.8
151.00311	0.6
151.03905	0.7
152.01033	1.8
153.01775	0.8
154.06143	1.9
161.04318	0.5
162.03123	0.8
163.03894	2.8
164.04703	12.9
165.01820	1.3
165.05264	0.9
167.61993	0.5
169.04973	1.0
175.00279	22.3
176.00803	1.0
177.01874	0.7
177.05530	1.1
179.03470	0.6
179.07036	2.4
181.04964	1.0
188.04704	0.4
189.01920	0.9
190.02631	61.4
191.03226	4.5
192.04185	0.7
193.01344	0.5
194.02086	0.4
203.07042	0.4
205.04991	56.2
206.05602	4.5
207.02916	1.8
208.03683	1.1
209.04536	2.5
221.08145	4.3
223.06062	19.9
224.06427	1.1
237.07628	1.6
250.04854	1.0
265.07144	10.7
266.07407	0.8
289.14554	0.6
295.08221	1.4
311.07690	0.9
325.09280	2.6
353.42749	0.5
463.23468	0.5
507.22311	1.5
525.23212	1.1
567.24414	0.5
581.22723	0.6
596.24451	1.2
611.27020	100.0
612.27429	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	611.1612
Annotation	Flavoplatycoside
Peak:m/z	Relative Intensity
51.74466	2.4
53.43914	3.1
57.03319	4.0
59.01244	19.2
60.72200	2.7
61.98685	3.5
65.00196	18.5
66.43879	2.9
69.03353	4.4
69.37452	19.4
69.37863	7.9
71.01249	9.7
72.60007	2.7
73.02812	6.0
74.98962	3.1
83.01250	11.4
85.02826	6.1
87.00732	3.8
89.02295	4.2
92.17229	3.0
93.03333	6.6
95.01265	6.7
96.95838	4.1
96.99169	4.9
99.00752	4.8
101.02322	8.0
107.01266	13.0
107.04910	5.2
108.02084	3.8
109.02849	7.1
111.00777	13.8
111.21606	2.7
113.02335	5.5
119.04917	20.3
121.02820	5.1
123.00751	7.4
123.04398	4.3
124.01586	3.9
125.02336	64.2
126.02664	3.4
131.62558	3.1
133.02831	11.6
135.04413	12.8
136.04703	2.7
136.98767	9.2
137.02280	13.7
139.00270	24.6
143.04942	5.5
145.02859	5.7
146.66473	3.0
149.02385	7.0
151.00270	63.3
151.03920	51.8
153.01852	15.6
156.00539	7.2
163.03900	4.6
164.98206	11.0
165.01834	8.2
166.99783	7.7
167.03391	6.7
169.06396	3.0
171.04359	3.9
175.00363	5.9
177.00279	5.6
177.01840	92.6
178.02222	4.4
181.01363	21.5
185.06000	5.4
187.03972	3.5
190.02644	5.7
191.03471	3.8
192.00526	6.2
193.01352	7.9
195.04474	3.8
199.03784	3.8
201.01938	3.5
205.05008	10.6
213.05510	7.9
213.12186	2.8
215.03400	5.6
217.04993	3.9
229.04965	3.5
239.03313	3.6
241.05075	25.0
243.06612	3.2
256.03909	6.0
257.04459	11.3
258.05267	4.5
259.06146	7.8
260.67889	3.1
267.02808	4.1
271.06058	4.2
284.03207	25.5
285.04019	62.0
286.04547	9.4
302.04001	3.4
303.05045	9.3
433.13800	4.4
449.13373	3.5
456.73593	3.5
459.11508	22.1
475.10864	10.2
485.12839	5.7
489.12564	14.5
499.15140	3.7
501.12531	7.7
506.35678	3.5
593.15009	57.7
593.23718	5.7
594.15588	7.5
611.16077	100.0
611.24854	5.8
612.07629	3.6
612.16418	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	609.452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.2
63.76833	1.0
69.93076	4.2
74.84533	1.2
76.37531	1.0
92.87848	1.2
101.41975	1.1
122.51349	1.3
124.99670	1.1
232.92639	1.1
277.21701	100.0
278.22162	9.1
329.51447	1.4
526.42413	1.3
563.13080	1.3
630.19464	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	610.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.4
60.30983	0.3
61.98700	100.0
70.27956	0.4
71.01261	2.1
71.52531	0.5
85.02829	3.1
86.03167	0.5
89.02306	0.8
96.95930	0.4
101.02358	1.0
103.03891	0.8
113.02339	0.8
119.04799	0.4
129.01926	0.4
137.02354	0.5
151.07576	1.7
163.07588	1.3
167.03529	0.4
177.05540	0.6
191.01906	1.4
209.02956	0.4
265.09131	0.7
298.04700	0.5
302.03955	0.4
310.04596	0.4
324.75952	0.3
385.18640	8.4
385.23471	0.5
386.19211	0.7
418.12445	1.1
522.62482	0.4
547.24017	2.7
548.23895	0.5
551.27319	0.5
610.14886	1.9
611.15735	0.5
611.25787	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	611.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74466	2.4
53.43914	3.1
57.03319	4.0
59.01244	19.2
60.72200	2.7
61.98685	3.5
65.00196	18.5
66.43879	2.9
69.03353	4.4
69.37452	19.4
69.37863	7.9
71.01249	9.7
72.60007	2.7
73.02812	6.0
74.98962	3.1
83.01250	11.4
85.02826	6.1
87.00732	3.8
89.02295	4.2
92.17229	3.0
93.03333	6.6
95.01265	6.7
96.95838	4.1
96.99169	4.9
99.00752	4.8
101.02322	8.0
107.01266	13.0
107.04910	5.2
108.02084	3.8
109.02849	7.1
111.00777	13.8
111.21606	2.7
113.02335	5.5
119.04917	20.3
121.02820	5.1
123.00751	7.4
123.04398	4.3
124.01586	3.9
125.02336	64.2
126.02664	3.4
131.62558	3.1
133.02831	11.6
135.04413	12.8
136.04703	2.7
136.98767	9.2
137.02280	13.7
139.00270	24.6
143.04942	5.5
145.02859	5.7
146.66473	3.0
149.02385	7.0
151.00270	63.3
151.03920	51.8
153.01852	15.6
156.00539	7.2
163.03900	4.6
164.98206	11.0
165.01834	8.2
166.99783	7.7
167.03391	6.7
169.06396	3.0
171.04359	3.9
175.00363	5.9
177.00279	5.6
177.01840	92.6
178.02222	4.4
181.01363	21.5
185.06000	5.4
187.03972	3.5
190.02644	5.7
191.03471	3.8
192.00526	6.2
193.01352	7.9
195.04474	3.8
199.03784	3.8
201.01938	3.5
205.05008	10.6
213.05510	7.9
213.12186	2.8
215.03400	5.6
217.04993	3.9
229.04965	3.5
239.03313	3.6
241.05075	25.0
243.06612	3.2
256.03909	6.0
257.04459	11.3
258.05267	4.5
259.06146	7.8
260.67889	3.1
267.02808	4.1
271.06058	4.2
284.03207	25.5
285.04019	62.0
286.04547	9.4
302.04001	3.4
303.05045	9.3
433.13800	4.4
449.13373	3.5
456.73593	3.5
459.11508	22.1
475.10864	10.2
485.12839	5.7
489.12564	14.5
499.15140	3.7
501.12531	7.7
506.35678	3.5
593.15009	57.7
593.23718	5.7
594.15588	7.5
611.16077	100.0
611.24854	5.8
612.07629	3.6
612.16418	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	609.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.7
61.98698	11.0
71.01263	1.1
71.53306	0.8
82.79306	0.6
95.04899	35.5
96.05228	0.9
109.06436	0.6
113.09632	0.8
149.81702	0.5
150.02856	0.6
152.99426	0.7
160.61952	0.5
171.10202	1.4
177.12903	0.6
179.14349	1.2
189.05299	0.9
195.13835	9.7
196.14421	0.9
197.11775	0.9
205.12151	1.3
209.11703	1.0
211.13342	1.1
223.13351	12.9
225.11253	0.9
228.13693	0.8
231.21164	0.8
246.12331	12.0
254.04636	0.8
256.02570	2.0
256.06119	1.4
256.13126	1.5
266.04596	3.1
270.04099	2.7
271.04898	3.2
275.20114	3.2
278.11334	65.0
279.11682	4.0
284.05692	3.2
285.06317	0.6
286.07150	2.4
293.21213	100.0
294.21503	8.0
300.02652	1.6
301.03470	0.8
315.19394	26.0
316.19745	2.3
329.23318	1.6
572.32019	5.1
573.32532	1.0
594.16449	1.3
609.19330	3.5
609.41754	10.2
610.17407	1.0
610.41632	2.9
631.87097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.8
57.03322	1.9
59.01249	98.5
59.70897	0.6
60.01575	0.8
61.98700	100.0
69.03309	0.8
70.07935	2.2
71.01250	14.3
72.99189	0.7
73.02822	3.9
74.98939	0.7
80.96380	1.1
82.43787	0.5
83.01243	2.0
85.02821	6.9
87.00740	1.3
89.02306	2.8
93.03316	1.6
95.01244	1.5
96.95880	0.6
97.02821	1.0
99.00735	1.9
101.02317	6.9
103.03889	0.6
107.04899	0.8
108.02042	1.1
111.00751	0.8
113.02332	8.1
114.05476	0.9
119.03342	1.6
119.04892	2.1
121.02870	2.7
125.02286	1.2
135.04410	0.9
137.02306	1.5
143.03336	1.5
145.02852	0.8
149.02290	1.7
150.05487	0.7
151.00229	1.3
151.03822	0.8
152.00998	0.9
153.09050	1.4
159.02873	0.8
161.04453	3.7
163.03799	1.9
164.04564	0.6
179.03323	0.6
179.10564	0.8
185.96358	0.7
190.02475	2.3
193.04831	0.6
195.06299	0.7
205.04826	2.4
223.05841	1.4
225.14676	0.7
241.14473	5.9
255.02701	1.2
265.06516	0.7
265.14066	0.8
269.04263	1.0
271.02280	0.6
271.05719	0.9
273.14819	0.8
283.02209	0.8
285.03625	1.9
299.25531	1.4
300.02441	2.4
301.02979	0.8
305.17276	1.0
329.51428	0.7
345.29874	3.5
346.30048	0.6
349.15976	2.4
385.13980	3.0
387.16290	0.7
406.03955	0.6
447.09033	1.0
489.34293	35.3
490.34439	5.0
495.32224	0.6
505.33905	3.2
507.35349	11.0
508.34500	1.6
511.21323	0.8
547.18860	0.9
549.36475	3.9
550.35736	0.8
579.14905	0.6
609.13446	1.5
609.25262	4.2
610.31989	0.8
633.91681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81764	1.2
57.03321	7.6
59.01249	84.9
60.01609	1.3
61.25402	1.1
61.98676	1.5
70.06165	5.1
71.01244	25.7
72.99181	1.3
73.02818	6.0
83.01250	2.7
85.02820	16.2
87.00758	1.9
89.02309	5.3
93.03319	3.5
95.01247	2.7
96.95898	1.0
99.00730	3.2
101.02320	11.1
106.73695	1.3
110.54930	1.2
110.83583	1.2
111.20401	1.1
113.02328	18.1
119.03378	3.5
119.04835	1.6
121.02808	1.5
125.02327	2.0
137.02335	3.1
137.05965	5.0
137.09547	1.4
143.03366	1.7
149.02362	1.7
151.00179	1.3
161.04440	2.6
164.04811	1.2
167.03398	2.4
171.13782	1.6
175.00296	1.5
190.02614	3.8
195.13826	9.8
197.04477	1.8
205.04964	4.7
213.43254	1.5
223.06171	1.6
223.62283	1.2
226.04791	2.5
235.36461	1.2
241.11940	2.7
241.14412	55.6
242.14720	2.8
256.33237	1.1
265.07037	1.9
265.14420	6.6
269.04291	2.0
272.22769	1.3
359.27890	1.8
361.29416	10.9
367.10446	1.6
402.18936	1.3
469.31247	1.5
505.33804	100.0
506.34198	16.2
523.34900	21.7
524.34753	2.6
565.36243	7.2
609.26154	3.7
610.26270	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	609.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68821	0.1
51.80925	0.2
58.00466	1.8
59.01249	5.0
61.98693	0.3
64.36537	0.1
64.76804	0.1
69.03322	0.3
69.85498	0.8
71.01249	1.8
71.04852	0.2
72.99170	0.6
73.02818	5.2
78.95782	0.6
83.04886	0.4
84.02028	0.2
85.02814	0.5
87.04370	0.3
88.38621	0.2
90.46118	0.1
93.03339	0.3
95.04868	0.3
97.02802	0.2
97.06472	0.2
98.03595	0.2
99.04397	0.2
101.05947	0.5
121.02839	86.9
122.03171	2.7
124.89355	0.1
135.04379	0.3
152.99493	0.7
162.21707	0.2
214.87546	0.2
241.01138	0.2
293.21301	0.2
293.24808	0.4
355.26236	0.2
375.27200	0.2
381.27856	0.6
393.27945	0.2
459.29611	0.2
477.30045	5.4
478.30606	0.9
485.30658	0.3
487.28802	0.2
489.29984	0.7
491.31650	4.0
492.31961	0.6
497.30670	0.3
501.29898	0.2
503.31689	6.6
503.39166	0.3
504.32065	1.2
515.31580	1.9
516.31952	0.3
519.31061	0.4
521.32721	2.5
522.33087	0.4
531.30933	0.2
533.20892	0.2
533.32947	2.2
534.32922	0.3
549.32111	0.4
551.33728	100.0
552.34070	17.7
559.30585	0.2
561.35712	0.2
573.35583	0.9
591.36737	0.4
609.15796	0.4
609.37976	10.4
610.38220	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	609.2677
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
51.61356	0.9
56.48874	0.8
57.03323	2.4
59.01249	10.5
61.98696	11.3
67.16467	0.8
67.96672	1.1
71.01244	1.6
71.47141	0.8
73.02811	0.9
75.63264	0.8
75.92627	0.8
78.95771	60.5
79.95579	2.0
80.96368	2.5
85.02801	0.9
93.03280	1.4
96.96823	10.6
101.02306	1.1
101.44112	0.9
105.47319	1.0
113.09602	17.2
121.10043	1.0
137.02315	3.0
139.11142	1.1
150.97824	1.5
151.00209	0.8
152.99486	78.8
153.99782	1.0
164.78011	0.9
167.10675	1.7
171.00485	3.3
171.10129	3.6
179.10617	2.4
195.13815	2.6
209.11771	1.7
223.00053	8.7
225.00560	0.8
229.74651	1.1
241.01131	22.2
249.22113	2.6
259.02188	2.5
271.02139	1.2
275.20032	3.1
293.21222	54.2
294.21381	4.6
300.02686	1.1
301.03412	1.1
315.04837	12.9
333.05804	1.8
389.45383	1.0
548.94720	1.0
609.16467	3.8
609.26709	100.0
610.26984	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2679
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
53.99258	0.5
57.03316	0.5
58.24330	0.5
59.01249	11.4
60.23390	0.5
61.98700	9.2
69.03338	0.6
71.01244	3.2
72.99194	0.5
73.02811	0.8
78.95770	61.1
79.95628	0.9
80.96371	2.6
82.95972	1.6
83.01264	0.7
83.04869	0.6
85.02805	2.1
96.95882	0.8
96.96840	13.4
96.97482	0.6
99.00752	0.7
101.02334	2.0
107.83217	0.5
108.02032	0.7
108.39038	0.5
113.02325	1.0
113.17033	0.6
118.31437	0.6
119.04911	0.7
120.06319	0.5
121.02856	1.2
125.02314	0.6
134.97449	0.5
150.97919	1.1
152.99487	74.1
153.99857	1.4
171.00562	2.0
171.10219	1.0
179.14333	0.9
183.10181	1.1
195.13844	8.1
209.11794	1.1
223.00079	7.7
223.13332	5.5
225.11581	0.5
228.13596	1.0
231.77184	0.6
241.01144	23.9
242.01382	1.0
255.02989	1.2
259.02252	1.8
271.02499	1.2
271.13574	0.6
275.20053	3.6
283.02451	0.8
285.03955	1.1
293.21207	40.3
294.21707	2.8
294.24731	0.5
300.02820	2.2
300.16043	0.8
301.03543	0.6
301.16370	1.7
315.04858	10.8
333.05878	1.1
365.65955	0.5
447.09119	1.2
447.31042	1.3
609.26648	100.0
610.27002	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	609.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35434	0.4
59.01248	13.5
61.98700	12.5
63.96115	1.2
68.99626	0.4
69.03333	0.5
71.01251	10.8
71.01618	0.7
72.99174	0.6
73.02825	3.2
75.00777	0.5
78.95763	1.0
78.98457	5.0
79.95603	8.8
80.96386	63.2
81.03323	0.8
82.56510	0.4
83.01257	1.2
83.04907	0.5
85.02814	4.9
87.00745	2.3
87.04358	0.4
89.02314	1.3
93.03303	0.9
94.97958	15.5
95.01243	0.9
96.95906	1.3
97.02828	1.7
99.00749	1.2
99.04382	0.7
101.02313	4.5
101.05954	3.3
106.97958	3.0
107.04886	0.5
108.02049	0.7
111.08046	0.5
113.02325	2.7
113.32362	0.5
114.05481	0.5
119.03323	0.5
119.04921	0.9
121.02850	1.5
122.97466	5.3
123.04375	0.7
125.02335	4.0
127.03944	1.0
129.01814	0.5
134.97470	5.0
135.04430	0.5
136.99025	1.2
137.02315	1.1
141.86604	0.4
143.03392	0.5
148.99039	6.2
152.98512	7.0
152.99509	0.6
161.02351	0.6
161.04463	1.0
164.98535	11.8
167.65916	0.4
182.99576	1.6
191.14319	1.1
197.11731	1.4
203.95352	0.5
206.99580	3.0
209.15424	2.1
217.12158	0.4
225.00676	18.2
226.00972	0.5
243.01790	1.7
243.57851	0.5
255.03011	1.2
271.02420	1.3
283.02344	0.6
284.03040	0.4
299.04401	2.6
300.02667	0.9
301.03360	0.7
319.15469	0.7
371.17053	2.6
385.02728	0.6
447.09503	0.7
447.31540	0.7
489.34372	1.5
609.25763	100.0
610.26068	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	609.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45193	0.8
57.03321	2.0
57.39562	0.8
59.01247	34.3
60.01566	1.4
61.98683	4.4
63.02269	0.9
65.00183	5.7
71.01250	17.0
71.04852	1.0
72.99168	1.8
73.02809	4.3
83.01250	5.5
85.02821	6.2
86.08652	0.9
87.00746	3.9
87.04383	10.9
89.02320	6.1
91.01758	1.3
93.03316	2.6
95.01270	2.7
98.20670	1.7
99.00740	1.0
101.02322	7.7
107.01250	7.4
108.02039	3.2
111.00706	1.5
113.02345	6.4
116.92783	1.0
117.03429	0.9
119.01263	3.5
119.03349	1.9
119.04910	2.9
120.56785	0.9
121.02826	3.7
125.02294	3.1
133.02873	1.1
135.04378	2.8
136.01530	3.0
137.02306	3.0
143.03345	1.2
147.00748	3.6
147.04431	2.1
149.02361	17.3
151.00246	15.7
152.01064	1.2
153.01854	1.1
153.09036	1.5
159.04388	1.2
160.03940	3.8
161.02396	1.7
161.04407	2.6
162.03094	1.1
163.03888	3.6
164.01036	10.7
164.04688	18.9
165.01695	0.9
165.05264	0.9
166.99649	1.2
175.00270	28.2
175.07524	2.7
177.01785	1.6
179.07066	2.1
182.02040	1.1
183.04353	0.9
184.05185	1.1
186.03105	2.6
187.03914	1.4
189.01817	1.2
189.05591	1.0
190.02626	76.5
191.03140	6.0
195.06351	0.9
196.00050	7.1
197.04323	1.3
197.05992	1.8
198.06754	2.5
199.07570	1.1
201.01804	2.9
201.05530	2.9
203.06970	1.1
205.04991	75.3
206.05623	7.9
206.07368	1.2
207.02960	1.3
208.03661	2.9
211.13339	1.3
217.08638	2.3
221.08105	4.7
223.06058	32.3
224.06377	2.3
225.05432	1.0
226.06328	1.9
237.07576	2.2
241.08644	5.6
243.06517	3.4
250.04866	1.5
255.03067	1.3
265.07114	21.3
265.09836	1.2
269.04480	1.5
270.05298	8.1
283.02737	1.1
285.07645	100.0
286.08038	9.5
295.08264	4.3
300.02771	2.6
309.07574	3.2
310.88919	1.0
323.07626	1.5
325.09381	5.3
327.08710	2.9
361.29733	2.0
367.10284	6.4
367.17380	2.2
382.44727	1.1
387.10757	1.8
447.12927	1.1
489.13922	3.9
490.49677	0.9
504.32535	3.3
505.33530	17.3
506.33762	1.8
523.34991	4.3
565.35339	1.5
609.17578	28.5
609.25525	75.9
610.16357	4.4
610.26538	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	609.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30312	0.3
55.01745	0.6
57.03341	1.9
58.00444	0.4
59.01248	7.3
59.54782	0.3
59.95949	0.4
61.98671	0.4
65.00187	0.7
67.42781	0.3
68.58184	0.3
69.03323	5.1
70.34698	1.0
71.01256	6.1
72.99183	0.5
73.02811	1.8
74.07578	0.4
75.92015	0.4
83.01251	0.8
85.02826	2.9
87.00755	0.6
87.04397	0.9
87.17256	0.3
89.02328	2.0
91.01779	1.4
93.03328	0.9
95.01258	0.4
95.04942	0.4
96.95900	0.7
97.02840	0.8
98.20473	0.4
99.00745	0.6
101.02305	2.7
102.20269	0.4
107.01271	0.4
107.04926	0.4
109.06470	0.6
111.04367	0.5
113.02317	1.6
117.03323	0.5
119.01271	5.7
119.03407	0.4
119.04895	0.4
121.02844	3.8
132.02002	0.4
134.03610	0.8
135.04387	1.6
135.08028	0.4
137.02321	0.5
137.09628	0.7
138.06750	3.6
147.00777	4.5
147.04411	1.2
149.02338	22.5
149.05888	0.5
150.02744	1.1
152.01062	1.0
153.09109	8.1
161.04420	0.7
162.03101	0.8
162.15768	0.4
163.03931	2.2
163.11165	0.9
164.04698	23.3
165.01784	2.1
165.05176	1.1
167.07054	0.4
175.00273	36.3
176.00627	2.3
177.01894	0.6
179.07034	3.0
187.11244	0.4
189.01775	1.4
190.02632	96.0
191.03085	5.4
192.04222	0.6
193.01434	0.8
194.02184	0.7
195.13890	0.5
205.04994	100.0
205.12274	1.6
206.05389	5.6
207.06554	0.8
208.03696	1.4
209.04501	1.5
211.13278	0.9
221.08012	2.2
221.44765	0.3
223.06061	36.7
224.06334	1.9
237.07648	0.7
239.12851	1.1
241.14383	9.7
241.16745	0.7
242.14626	0.8
247.05946	0.5
250.04822	0.7
251.05353	0.5
265.07147	4.5
271.02295	0.4
293.12344	0.9
295.08295	0.9
301.06982	0.4
302.11444	0.4
309.06467	0.4
325.09256	1.0
359.30533	0.4
367.10318	8.1
368.10541	0.9
415.36279	0.5
455.14856	0.5
505.33710	0.7
579.24561	0.5
591.24225	0.8
594.23370	0.6
609.25476	78.4
610.25879	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	609.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60863	0.8
57.03310	3.1
59.00956	1.5
59.01248	25.5
61.98692	1.9
65.00188	0.8
69.03320	3.4
69.56136	2.0
69.56557	4.0
71.01247	12.0
71.99271	0.9
72.99172	1.0
73.02805	3.3
81.03313	0.8
83.01247	2.1
85.02834	6.1
87.00718	1.5
87.04373	1.2
89.02344	4.1
89.02773	0.7
91.01778	1.5
91.25033	0.7
93.03323	1.7
95.01263	1.0
97.02849	0.9
99.00737	0.8
101.02324	4.8
113.02319	6.5
118.95263	0.8
119.01272	4.4
119.65028	0.8
121.02840	2.7
125.02386	1.2
134.03625	0.8
135.04366	1.6
138.06732	2.4
147.00769	2.9
147.04413	2.0
149.02342	19.1
150.02779	0.7
151.00316	0.7
151.03835	0.8
152.01047	0.9
153.09119	5.9
160.03821	0.8
161.04443	2.0
163.03879	1.4
164.04701	20.7
165.01791	1.5
165.05081	0.9
175.00293	30.3
176.00694	1.1
179.06995	2.9
185.49112	0.7
190.02637	83.0
191.03067	5.3
205.04997	81.9
205.06505	1.2
205.12300	1.6
206.05405	6.6
208.03726	1.4
209.04359	1.6
211.13359	2.1
221.08159	1.8
223.03865	1.6
223.06070	32.8
224.06419	1.5
241.14407	8.5
242.14716	1.6
265.07123	3.7
301.07004	0.9
317.30429	0.8
361.29599	1.8
367.10379	8.0
492.62546	0.9
504.87842	1.0
505.33774	27.4
506.34317	4.5
523.34735	5.2
565.36353	1.8
580.24585	0.8
587.10205	0.9
591.25000	1.5
609.25464	100.0
610.25854	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	609.1822
Annotation	4,2',4'-Trihydroxy-6'-methoxychalcone 4,4'-di-beta-glucoside
Peak:m/z	Relative Intensity
54.51767	0.8
57.03254	4.1
59.01182	26.3
59.01512	2.8
60.77483	0.7
61.98627	3.0
61.98907	0.9
62.72132	0.6
65.00140	1.1
69.03252	2.2
71.01180	13.1
71.01631	1.4
71.01781	0.7
71.52763	0.9
72.99117	0.7
73.02750	2.8
75.86957	0.7
81.03331	7.5
82.32014	0.6
82.43819	0.8
83.01259	4.6
85.02819	6.1
87.00667	2.4
89.02228	4.9
91.05319	1.4
93.03337	5.0
95.01241	0.7
95.04904	8.8
96.95817	0.8
97.02732	3.0
99.00734	0.8
99.04306	3.5
100.44224	0.8
101.02329	7.6
105.03291	1.5
107.01221	0.7
107.04823	2.1
108.01993	1.8
109.02735	2.3
111.04329	0.9
113.02316	3.7
117.03250	2.5
119.01183	2.1
119.03333	1.5
119.04944	3.9
120.99455	1.5
121.02847	6.2
123.04395	8.7
125.02342	9.5
133.02695	0.7
134.03537	2.9
135.04425	3.6
137.02338	11.4
137.05878	1.0
139.03839	1.4
143.03369	1.0
145.02753	1.0
147.00693	1.5
147.04335	2.2
149.02348	14.6
151.00224	1.7
151.03815	1.0
152.00935	1.4
153.05399	0.9
157.06522	0.9
159.04300	3.5
161.02287	1.6
161.04333	1.4
162.03004	0.8
163.00217	1.0
163.03906	7.4
164.04700	13.8
165.01738	2.2
165.05331	1.2
165.09109	3.6
167.03407	35.4
168.03662	1.2
175.00269	13.7
175.03780	1.3
175.07405	1.2
177.01773	0.9
177.05431	1.6
178.06093	0.8
179.03261	2.8
179.06941	2.6
181.04813	1.5
189.01776	1.8
189.89243	0.8
190.02629	31.3
191.03401	5.7
193.01382	3.9
195.13647	0.9
197.04330	2.3
197.05954	1.1
199.07655	4.2
199.09157	1.0
201.01744	1.9
201.05388	1.6
203.06947	2.3
205.01112	1.0
205.04990	29.4
206.05710	5.1
207.02824	2.1
208.03638	2.7
209.04326	1.5
211.07532	1.0
211.13280	1.6
213.09018	3.2
215.06845	1.0
217.01178	2.2
221.08174	6.2
223.06047	32.2
224.06328	2.0
227.06699	1.0
233.04387	0.8
237.07542	2.8
239.07063	1.1
241.08566	3.4
241.14391	6.2
243.06580	4.1
249.05457	0.9
249.43784	0.8
250.04800	1.7
255.02795	0.9
255.06639	6.8
256.07260	2.7
257.08054	1.1
265.07120	32.4
265.14520	1.3
266.07236	0.9
267.06570	10.7
268.06934	0.9
269.04352	1.2
269.08109	1.3
271.02390	1.3
271.22122	0.7
279.06506	1.2
281.08154	1.9
282.05341	1.6
283.05951	1.9
283.09494	0.8
284.06754	0.9
285.07663	66.9
286.07977	4.3
295.08252	11.5
296.08362	1.1
297.07632	12.6
298.08041	1.2
300.02573	2.3
301.03488	1.5
309.07672	23.9
310.07806	2.4
315.08774	1.8
325.09344	13.2
326.09689	1.1
327.08835	5.0
333.20828	1.3
339.08694	2.8
351.08539	1.7
367.10294	3.1
369.09647	2.2
385.11292	2.1
387.10913	6.5
388.11316	0.9
397.13303	1.2
417.21368	1.2
429.11905	2.0
447.12943	100.0
448.13303	12.1
459.12668	1.4
477.13791	3.7
477.25049	1.3
489.13620	1.6
495.25781	1.9
504.32462	0.9
505.33777	12.9
523.27081	1.2
523.34985	2.5
537.26947	6.2
549.15985	2.4
565.26489	3.3
565.35168	0.9
608.40228	1.0
609.17053	5.8
609.25751	31.6
610.26630	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1825
Annotation	Hesperidin
Peak:m/z	Relative Intensity
56.98835	1.6
57.53499	1.5
59.01247	16.1
61.98683	2.7
63.02253	3.1
65.00194	13.0
69.03304	2.3
69.04109	1.6
71.01252	9.0
71.53127	2.6
72.99177	1.9
73.02788	3.2
83.01272	8.2
83.04811	1.8
85.02814	6.5
89.02322	4.0
89.17947	1.4
93.03292	2.4
101.02319	5.0
103.03860	4.2
105.18217	1.6
107.01257	23.7
108.02032	7.2
113.02327	5.1
119.01283	3.0
119.03426	1.4
119.04894	2.3
123.04378	3.7
125.02370	9.2
133.02843	1.7
134.03636	27.7
135.04442	2.0
136.01579	3.2
137.02333	2.3
137.05934	3.0
149.02307	5.6
149.05975	22.0
151.00270	100.0
152.00755	3.2
158.03654	1.9
160.01593	1.9
161.02284	3.4
163.03819	2.3
164.01028	9.1
164.04678	3.3
165.01790	4.4
174.03127	2.5
175.00250	8.3
175.03886	4.4
176.01151	2.3
177.01826	8.4
190.02641	19.5
191.03355	1.9
193.01228	2.2
196.00034	4.3
197.15358	4.2
201.01836	2.6
202.02866	1.6
205.05016	16.2
206.05537	1.9
215.03358	1.9
221.08099	3.0
223.06058	8.6
241.14391	7.7
242.05774	3.3
257.08145	4.4
265.07080	5.5
271.02322	2.0
271.04913	1.9
283.02530	1.6
284.03204	6.3
285.03781	7.1
285.07593	4.4
286.04254	5.7
286.07281	3.5
299.05594	5.4
300.02795	3.4
300.05939	5.9
301.07144	89.7
302.07376	6.8
325.09299	1.9
343.08041	4.7
435.17313	1.8
448.12622	2.7
459.11575	9.9
549.25299	1.7
609.17969	83.4
609.25891	6.0
610.18127	14.3
621.35040	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	609.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.2
59.01250	25.5
60.01571	0.6
61.98703	3.7
63.02254	1.0
65.00189	4.7
69.03321	1.1
71.01250	10.7
71.04898	0.6
71.52608	1.0
72.01601	0.7
72.99173	1.5
73.02807	2.6
75.00755	0.8
83.01255	5.0
85.02831	6.1
87.00754	2.8
87.04384	4.9
89.02315	4.6
93.03350	1.4
95.01238	1.6
99.04330	0.8
99.90630	0.5
101.02326	6.7
107.01257	5.8
108.02049	1.6
109.02819	1.1
113.02319	4.3
117.03314	1.1
119.01260	2.0
119.03356	1.3
119.04900	2.5
120.70789	0.5
121.02831	2.6
123.00719	1.1
125.02319	1.7
133.02872	0.8
135.04419	2.0
136.01559	2.5
137.02321	1.9
143.03369	1.2
147.00778	1.7
147.04387	0.8
149.02333	8.6
150.03023	0.8
151.00272	15.1
152.00836	1.0
153.01843	0.8
153.09113	1.0
160.03790	0.7
161.04410	1.3
163.00288	0.6
163.03859	1.8
164.01057	9.9
164.04692	11.2
165.01758	0.9
165.05238	0.9
168.29904	0.5
169.01361	0.6
169.06422	0.6
175.00275	13.4
175.03870	1.2
175.07597	3.4
176.00740	0.7
177.01801	1.6
177.05464	0.7
179.03311	0.9
179.07060	1.8
182.02150	1.0
186.03107	2.1
187.03860	1.2
189.01819	0.7
190.02634	37.3
191.03195	2.6
193.01413	0.7
193.04898	0.6
196.00078	6.5
197.00389	0.6
197.04483	2.3
197.06075	1.0
198.06757	2.1
199.07547	1.0
201.01833	0.9
201.05463	2.5
202.06226	1.1
203.07030	1.0
205.04991	34.5
206.05653	2.8
208.03706	1.1
209.04407	0.9
217.08688	1.8
221.08098	3.3
223.06044	17.7
223.13242	0.6
224.06488	1.0
225.05322	0.6
226.06274	2.1
226.26546	0.6
227.03473	0.7
228.04312	0.6
237.07617	1.5
241.05078	0.7
241.08664	5.6
241.14436	0.8
243.06485	2.7
245.08311	0.7
250.04880	1.0
255.02982	1.2
265.07126	11.6
266.07565	1.2
269.04446	1.3
270.05310	8.7
271.02686	0.6
271.05664	0.6
283.02512	0.7
285.07663	100.0
286.08051	9.5
295.08081	3.4
300.02917	1.3
301.03476	1.8
309.07703	3.0
325.09305	4.1
327.08743	2.7
361.29688	0.6
367.10303	2.4
447.13220	1.0
489.13843	4.6
503.32050	1.3
504.32748	3.1
505.20273	0.6
505.33545	10.0
506.33517	0.8
507.17743	0.6
522.33972	0.7
523.34485	2.2
549.20251	0.9
609.17810	29.4
609.25708	31.7
610.17102	4.5
610.26788	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02253	0.2
65.00195	0.6
69.72748	1.1
83.01254	0.5
89.02320	0.2
91.01743	0.2
93.03349	0.2
107.01262	1.7
107.73409	0.2
108.02054	0.9
109.02828	0.7
116.23116	0.2
121.02845	1.1
125.02361	0.2
135.00787	0.4
135.04388	0.2
148.01572	0.7
149.02399	0.4
151.00266	9.4
152.00677	0.3
160.60236	0.2
163.00261	2.0
163.03923	0.3
164.01010	0.6
165.01904	0.2
169.01414	0.4
175.03978	0.2
175.14360	0.1
178.98207	0.3
178.99780	5.1
181.05032	0.2
183.04419	0.5
187.03951	0.3
190.99838	0.3
192.00536	0.3
193.01363	0.3
198.03197	0.2
199.03893	0.3
211.03934	0.6
212.04291	0.2
215.03452	0.4
216.04340	0.2
226.02608	0.9
227.03389	1.8
229.04956	0.7
239.03487	0.3
243.02937	5.5
244.03551	0.5
245.04515	1.0
254.02151	1.3
255.02954	15.2
256.03339	1.2
257.04431	0.3
271.02466	31.1
272.02936	3.2
273.04053	1.0
281.81494	0.2
283.02460	1.1
284.03156	0.4
285.04156	1.0
299.01996	1.2
300.02722	81.3
301.03442	38.3
302.03824	2.2
343.04562	0.7
448.35779	0.2
499.14609	0.2
545.94971	0.2
552.64069	0.2
609.14563	100.0
610.14893	14.1
610.25287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98893	0.6
69.09200	0.5
69.58395	1.5
69.58823	2.2
86.83456	0.5
93.03349	0.9
93.56228	0.6
98.20528	1.1
104.52164	0.6
107.01276	0.7
117.03329	0.8
131.26358	0.6
138.38478	0.6
151.00291	2.7
171.04430	0.8
182.03618	0.8
183.04485	2.7
185.02469	0.6
185.05974	1.0
187.03905	0.9
198.03467	0.5
208.18414	0.6
211.03922	2.7
215.03589	0.6
227.03410	6.7
228.03735	0.9
239.03401	0.6
241.05069	0.5
255.02957	50.1
256.03323	4.9
269.04425	0.7
283.02463	100.0
284.03073	18.6
285.04025	70.3
286.04349	7.8
297.03915	1.0
327.04996	2.9
446.08551	14.9
447.09277	53.4
448.09494	5.6
489.10416	3.3
607.80127	0.6
609.14575	38.1
610.15100	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	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	4.9
61.98678	2.1
67.71938	1.3
70.37861	3.8
71.01246	3.1
73.02835	1.3
75.00758	1.5
83.01230	1.1
85.02814	3.7
89.02341	1.7
93.03329	3.0
101.02316	2.3
105.55811	1.3
107.01262	1.8
109.02821	3.2
111.00746	1.7
117.03329	7.1
119.04917	1.9
121.02823	1.9
123.04427	1.4
124.01538	2.5
124.04799	1.3
129.01862	1.2
133.02841	3.6
135.00729	1.5
135.04440	2.1
137.02318	4.2
139.03944	1.4
141.44136	1.5
145.02853	1.5
149.02345	3.7
150.03119	1.8
151.00276	3.5
151.03900	2.2
161.02332	4.6
163.00269	2.7
163.03830	3.3
164.01030	2.4
165.01825	4.1
175.03906	2.9
176.00989	1.3
177.01790	5.3
177.05405	1.4
178.99786	2.2
179.03462	2.9
180.00587	2.0
189.01863	2.2
191.03371	3.7
193.01288	2.2
194.99261	1.3
197.05963	2.3
203.03401	3.0
205.01401	1.3
207.02893	6.7
207.04994	3.7
213.05542	1.8
214.06285	1.4
219.02943	4.1
220.03722	2.5
221.04483	1.9
225.05486	1.7
235.02470	1.5
241.04948	5.3
247.02290	1.9
249.03862	2.9
249.19511	1.4
252.04424	1.6
253.05003	4.4
255.02835	2.0
255.06589	2.6
257.04391	1.5
265.10687	1.4
269.04489	4.1
279.05084	2.6
281.04419	9.3
283.02368	3.9
283.06067	4.6
284.03207	2.4
285.04053	8.5
295.05991	2.1
297.03912	5.3
298.04816	32.6
299.05530	7.2
309.04019	1.9
311.05573	5.7
312.06329	4.7
313.03476	12.5
313.07114	4.7
323.05557	2.8
325.06921	1.6
326.04355	10.9
327.04742	13.1
328.05295	1.3
330.03888	3.0
335.02466	1.3
339.05048	6.1
341.06433	4.3
351.04941	2.4
353.06494	2.8
356.05188	1.4
357.05936	1.9
369.01889	1.7
369.06158	23.2
370.06525	2.6
370.65775	1.4
371.07703	1.5
381.06213	3.0
383.07437	1.7
399.07169	17.2
400.07587	1.6
411.06940	2.5
417.11423	1.8
429.08154	3.5
446.08505	14.7
447.08905	4.5
459.09097	4.1
471.09000	2.3
489.10349	99.5
490.10675	10.6
519.10931	6.8
520.11481	1.6
591.13556	4.0
609.14502	100.0
610.14966	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	609.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.6
58.00450	1.2
59.01252	24.6
59.85829	1.1
65.00191	1.8
68.99667	1.6
71.01260	16.9
71.22327	2.2
72.99170	2.9
73.02808	3.2
75.00738	3.2
78.53013	1.1
83.01241	3.1
85.02822	12.5
87.00735	4.0
89.02324	10.5
93.03329	4.7
95.01289	2.0
96.95912	2.0
97.02808	1.2
99.00758	1.3
101.02332	9.0
103.03870	1.9
108.02075	1.8
109.02852	2.9
111.00799	2.0
113.01632	1.0
113.02307	7.1
117.03352	7.0
118.98027	1.2
119.03368	2.2
119.04898	3.0
121.02822	2.1
123.04406	1.6
131.01303	1.5
133.02853	6.6
134.03677	2.0
135.00815	1.7
135.04361	2.1
136.01538	1.7
137.02342	2.5
147.04459	1.1
148.04881	1.1
149.02312	3.9
151.00272	1.9
151.03999	1.3
160.01515	3.7
160.03915	1.3
161.02354	3.9
161.04422	2.2
163.00281	3.5
163.03918	1.8
164.01045	6.2
164.04652	3.2
165.01814	2.3
165.05481	3.1
168.15205	1.1
173.00879	1.4
173.02350	1.6
175.00276	9.1
175.03931	3.7
177.01857	3.8
179.03380	2.3
179.05527	2.3
181.04958	1.4
189.01846	8.3
190.02570	7.3
191.01906	3.0
191.03406	2.7
193.01347	3.0
195.06519	1.3
201.01848	1.4
203.03458	1.8
205.01262	1.5
205.05046	5.9
206.02087	2.0
207.02927	2.2
209.02956	4.9
209.06013	1.4
211.03839	1.6
223.06046	3.5
225.05530	1.6
227.03528	2.2
237.05716	4.4
239.03326	1.3
253.05008	4.5
255.03067	5.3
265.05042	5.0
265.09406	1.9
269.04553	3.5
281.04495	9.0
282.05173	2.6
283.02423	3.1
284.03259	17.1
285.04041	23.9
292.03455	1.3
295.06085	1.4
297.04044	9.6
298.04782	11.0
299.05569	3.5
300.02994	1.9
308.03146	3.4
309.04034	81.2
310.04440	7.6
311.05521	4.6
325.03491	1.4
326.04285	5.4
327.05035	27.2
328.05331	1.7
330.55399	1.3
339.05045	4.6
351.05121	4.7
357.06174	11.0
369.06091	2.0
387.20297	1.2
411.07034	1.8
429.08215	30.7
430.08600	4.2
489.10318	33.9
490.10687	3.6
549.25580	4.2
567.26538	2.6
609.14594	100.0
609.24579	15.1
610.14868	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	609.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43393	0.5
55.45468	0.6
56.91984	0.5
57.03318	0.9
59.01257	3.0
65.00190	1.8
68.99669	0.8
69.03285	0.7
71.01254	4.5
71.29127	0.7
71.29448	0.7
73.02847	0.6
73.07404	0.5
79.84859	0.6
83.01251	1.6
85.02818	1.6
87.00737	1.0
89.87588	0.6
93.03338	10.4
95.01263	1.9
99.00780	1.2
101.02306	2.5
107.01267	2.4
108.02011	1.4
109.02844	1.3
109.99982	2.5
111.00736	1.4
113.02344	1.5
115.00257	1.2
117.03337	1.1
119.04892	2.8
121.02815	2.0
123.00748	2.3
124.01520	0.9
125.02319	1.8
131.04892	0.7
132.02066	0.8
135.00766	0.8
136.98679	0.7
137.02335	12.7
137.99451	0.8
139.00293	3.2
143.04865	0.9
145.06473	1.3
147.04483	0.7
148.01608	0.7
149.02367	1.1
150.99132	1.0
151.00272	9.2
151.01404	1.1
152.01129	3.5
153.01788	0.7
155.04872	0.7
161.02432	0.6
163.00348	2.8
163.03912	1.1
165.01884	0.7
165.98979	4.6
166.99728	2.1
171.04413	2.0
173.02359	1.0
175.03865	1.1
178.99773	5.2
181.01431	0.8
182.62434	0.6
183.04430	2.4
185.06036	1.3
187.03929	2.9
190.02765	0.8
193.01315	0.7
197.02528	0.6
198.03091	1.5
199.03883	2.9
200.04628	0.9
201.05386	1.9
209.00792	1.3
210.06810	0.6
211.03983	3.6
211.07570	2.4
213.05461	0.9
215.03424	2.0
226.02715	1.5
226.04675	0.7
227.03445	9.0
228.03979	1.3
229.05034	3.0
237.09145	2.1
239.03499	1.5
239.10756	3.9
241.14407	2.1
242.14767	1.2
243.02945	11.1
243.15067	0.6
244.03595	2.1
245.04491	1.4
253.08679	0.8
254.02200	3.3
255.02945	29.4
256.03433	3.0
257.04578	5.2
271.02472	33.7
272.03162	13.6
273.03802	3.1
281.06665	7.5
282.01724	1.5
283.02451	12.4
284.03015	1.9
285.03943	2.7
299.01892	1.6
300.02719	55.4
301.03467	45.4
302.03577	4.8
303.03958	0.8
343.04388	0.8
413.14612	0.9
461.08072	0.8
464.09113	0.9
465.09232	2.3
489.12445	1.6
493.14502	1.4
507.10330	1.6
565.16962	1.4
591.13599	1.5
609.14709	100.0
610.15039	15.9
629.21185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.0
59.24736	0.8
62.56712	0.7
65.00176	2.1
68.73297	0.8
69.51714	4.1
69.52122	1.6
71.01249	4.4
73.02814	1.2
83.01254	1.9
85.02819	2.0
89.82271	0.8
93.03327	11.4
95.01238	1.8
98.83719	0.8
99.00741	1.4
101.02304	2.2
103.03832	0.8
107.01250	2.8
108.02041	2.9
109.02866	0.9
109.99944	2.4
111.00736	3.0
113.02325	2.2
115.00253	1.8
116.84306	0.7
117.03361	0.8
119.04864	2.2
120.24400	0.8
120.93746	0.8
121.02828	2.0
123.00745	3.2
123.04447	0.8
125.02324	2.1
127.97322	0.9
131.04907	0.9
132.02119	1.0
133.02779	0.9
135.00778	1.5
135.04364	0.9
136.98692	1.3
137.02345	12.7
139.00266	5.2
145.02898	1.1
145.06467	1.5
148.01567	1.1
149.02310	1.7
150.03195	0.8
151.00285	9.4
152.01041	4.2
153.01836	1.7
155.04893	0.9
163.00261	2.1
163.03860	1.1
165.98987	4.8
166.99814	3.9
171.04405	2.4
175.03963	1.1
178.99785	6.1
182.03664	1.1
183.04428	2.6
184.69725	0.9
185.02280	1.1
185.05992	1.3
187.03975	2.3
198.03125	1.4
199.03883	1.8
200.04605	1.2
201.05481	2.0
206.99152	1.3
209.00804	1.5
211.03970	4.0
211.07520	3.4
215.03430	2.0
216.04205	1.4
217.04961	1.1
223.09766	0.8
226.02625	2.1
227.03438	8.9
228.03993	1.5
229.04909	3.8
237.09108	3.4
239.03545	1.0
239.10703	3.5
241.14388	2.0
242.14713	1.7
243.02965	16.0
244.03648	2.4
245.04568	1.7
254.02113	4.4
255.02968	38.7
256.03467	4.0
257.04651	4.5
271.02466	44.1
272.03098	14.5
273.03812	2.8
281.06638	7.5
282.01358	1.7
283.02457	17.8
284.03036	2.1
285.03973	2.7
299.02023	1.6
300.02722	65.0
301.03470	51.8
301.06421	0.8
302.03638	5.1
447.08871	1.1
465.09399	2.1
470.49716	1.0
489.12912	1.2
493.14914	2.2
507.10538	1.9
565.16089	1.1
591.13495	2.3
609.14722	100.0
610.15100	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	609.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.0
59.24736	0.8
62.56712	0.7
65.00176	2.1
68.73297	0.8
69.51714	4.1
69.52122	1.6
71.01249	4.4
73.02814	1.2
83.01254	1.9
85.02819	2.0
89.82271	0.8
93.03327	11.4
95.01238	1.8
98.83719	0.8
99.00741	1.4
101.02304	2.2
103.03832	0.8
107.01250	2.8
108.02041	2.9
109.02866	0.9
109.99944	2.4
111.00736	3.0
113.02325	2.2
115.00253	1.8
116.84306	0.7
117.03361	0.8
119.04864	2.2
120.24400	0.8
120.93746	0.8
121.02828	2.0
123.00745	3.2
123.04447	0.8
125.02324	2.1
127.97322	0.9
131.04907	0.9
132.02119	1.0
133.02779	0.9
135.00778	1.5
135.04364	0.9
136.98692	1.3
137.02345	12.7
139.00266	5.2
145.02898	1.1
145.06467	1.5
148.01567	1.1
149.02310	1.7
150.03195	0.8
151.00285	9.4
152.01041	4.2
153.01836	1.7
155.04893	0.9
163.00261	2.1
163.03860	1.1
165.98987	4.8
166.99814	3.9
171.04405	2.4
175.03963	1.1
178.99785	6.1
182.03664	1.1
183.04428	2.6
184.69725	0.9
185.02280	1.1
185.05992	1.3
187.03975	2.3
198.03125	1.4
199.03883	1.8
200.04605	1.2
201.05481	2.0
206.99152	1.3
209.00804	1.5
211.03970	4.0
211.07520	3.4
215.03430	2.0
216.04205	1.4
217.04961	1.1
223.09766	0.8
226.02625	2.1
227.03438	8.9
228.03993	1.5
229.04909	3.8
237.09108	3.4
239.03545	1.0
239.10703	3.5
241.14388	2.0
242.14713	1.7
243.02965	16.0
244.03648	2.4
245.04568	1.7
254.02113	4.4
255.02968	38.7
256.03467	4.0
257.04651	4.5
271.02466	44.1
272.03098	14.5
273.03812	2.8
281.06638	7.5
282.01358	1.7
283.02457	17.8
284.03036	2.1
285.03973	2.7
299.02023	1.6
300.02722	65.0
301.03470	51.8
301.06421	0.8
302.03638	5.1
447.08871	1.1
465.09399	2.1
470.49716	1.0
489.12912	1.2
493.14914	2.2
507.10538	1.9
565.16089	1.1
591.13495	2.3
609.14722	100.0
610.15100	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	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.0
59.01249	100.0
61.98712	2.3
69.24565	19.7
71.01247	32.9
72.99177	2.8
73.02809	5.9
73.52582	1.7
76.77200	1.8
83.01262	6.2
85.02819	15.0
87.00731	3.3
88.18877	1.9
89.02329	11.3
90.99053	1.9
93.03322	2.1
93.71815	1.7
95.01236	4.7
99.00783	3.1
101.02310	10.5
113.02329	18.4
114.27094	1.9
119.03349	4.3
153.05498	2.0
161.04474	3.9
190.02666	3.0
205.04926	2.9
205.60155	1.9
223.05898	2.6
241.14310	2.1
267.64520	2.0
341.26657	2.6
359.27975	6.8
503.20279	3.5
503.32263	69.4
504.32443	12.0
521.33252	28.9
522.33740	3.6
563.33966	5.6
603.63232	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	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58037	1.3
55.01764	2.8
57.03315	7.7
59.01250	100.0
61.98701	4.5
65.00180	1.5
69.03337	1.7
71.01250	32.2
71.02069	4.2
73.02817	8.5
74.85108	1.3
75.00738	2.6
77.79897	1.5
80.22218	1.6
83.01277	2.9
85.02824	18.0
87.00767	2.7
87.04352	2.0
87.35162	1.6
88.24651	1.5
88.98669	2.7
89.02313	9.9
92.70109	1.6
93.03339	4.6
95.01270	2.6
99.00758	3.1
101.02318	19.2
103.03931	2.1
108.08089	4.1
109.02827	1.7
111.00797	3.1
113.02343	15.4
116.72217	1.5
117.90912	1.3
119.03410	3.4
119.04911	3.3
125.02316	2.5
132.04468	4.5
135.04463	1.5
137.02348	3.2
143.03381	2.1
149.02319	3.3
150.05553	3.3
151.00273	3.4
152.07076	6.3
159.02768	1.6
161.04503	10.4
164.04669	1.8
183.91505	1.4
190.02747	1.6
205.05106	2.0
211.07443	2.0
223.06026	3.3
237.09155	3.9
239.10643	2.2
239.12880	2.0
265.09271	1.5
268.03763	54.7
269.04166	6.6
283.06110	94.1
284.03531	2.1
284.06342	8.8
297.12418	3.1
299.05704	2.2
301.07016	1.8
311.26144	1.7
315.13605	6.7
355.30042	1.5
359.28076	3.3
367.08163	2.3
415.27155	1.8
433.27939	9.1
440.12827	1.6
453.15131	1.5
485.31149	2.4
503.32242	70.7
504.32516	12.0
519.19708	2.2
521.33252	22.7
522.33490	3.8
563.33685	3.2
607.16925	9.3
607.24396	1.7
608.18585	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	607.385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01588	1.3
61.68552	0.6
61.98704	5.7
69.21049	7.2
71.01261	0.8
72.40075	0.7
75.38560	0.6
77.57103	0.6
78.12519	0.6
78.95776	0.9
82.25565	0.6
90.98505	0.5
97.06458	0.9
101.02328	0.8
101.05920	0.7
105.39717	0.8
112.93638	0.9
121.02874	0.9
164.51363	0.7
171.10242	2.1
175.03946	4.2
176.01077	1.2
185.30414	0.7
190.80679	0.6
191.03506	3.0
201.05536	1.4
206.02170	0.8
209.11783	6.4
225.11273	1.2
227.07079	1.2
245.08127	4.8
277.10876	2.1
280.44775	0.8
296.06998	1.4
302.43912	0.7
305.17389	0.7
324.74506	0.7
367.08466	1.3
397.09430	1.3
478.16653	1.4
489.32175	7.7
490.32562	1.2
510.18832	1.6
547.36432	6.5
548.36975	1.2
590.66742	0.9
607.17444	3.5
607.24689	3.9
607.34680	1.4
608.16919	1.5
608.26050	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28906	2.8
57.03316	6.8
59.01247	98.8
71.01248	36.6
73.02798	8.2
74.03194	2.6
83.01237	2.9
85.02807	14.4
87.00742	5.1
89.02293	11.3
95.01249	4.4
97.02822	3.6
98.20574	5.9
101.02297	11.4
102.76674	3.0
108.01988	2.7
113.02310	17.4
121.02800	4.3
137.02335	3.7
142.78902	3.1
149.02278	7.7
152.01041	5.5
164.04659	8.0
175.00241	9.4
190.02623	21.8
201.14832	4.0
205.04974	26.0
206.05563	4.5
215.56462	3.0
221.11740	5.3
223.06059	14.7
265.07166	20.7
295.08176	4.9
359.27933	7.5
367.10272	6.3
409.14502	3.0
503.32220	100.0
504.32614	14.5
521.33270	37.7
522.34094	4.4
549.39026	4.0
563.34125	5.0
607.24030	19.4
608.24200	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	607.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.3
57.03318	1.7
57.48448	1.1
58.00463	4.8
59.01248	96.4
59.98447	1.3
62.60009	1.1
70.57420	4.1
71.01251	74.9
71.23248	1.1
72.99179	8.0
73.02813	2.8
75.00740	3.9
83.01238	2.9
85.02812	12.9
87.00733	5.7
88.48132	1.1
89.02312	100.0
95.01260	4.8
101.02317	35.5
109.83354	1.2
111.12189	1.1
113.02320	28.7
119.03391	37.7
121.02858	4.1
125.02322	2.2
129.01794	1.9
131.03371	4.5
140.71617	1.1
143.03372	10.7
149.04460	4.6
161.04446	12.2
179.05527	59.0
180.05763	1.3
193.12227	1.6
237.06122	2.0
255.12386	2.5
445.13885	1.5
485.15207	1.8
547.24048	3.2
607.24890	2.2
608.13611	1.6
608.24243	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	607.2766
Annotation	Clerodendrin B
Peak:m/z	Relative Intensity
55.01734	0.4
57.03331	3.6
57.30221	0.4
59.01249	20.4
61.98701	2.1
68.99676	2.5
69.03322	2.4
69.29022	3.2
71.01252	6.2
72.99168	3.4
73.02825	2.0
74.98959	0.5
75.00743	0.9
79.95591	0.4
83.01255	1.3
83.04886	2.3
85.02820	3.9
87.00739	3.6
87.04395	4.8
89.02304	2.8
93.03336	0.7
94.48222	0.4
95.01260	0.8
95.04887	0.7
95.20489	0.4
96.95903	0.6
97.02817	1.7
99.00758	0.6
101.02321	5.7
103.03893	0.7
107.01283	0.4
108.02081	0.7
109.02821	0.5
109.06441	0.5
110.02349	0.4
111.00761	1.5
113.02322	2.5
113.05976	0.4
115.03905	0.7
119.03397	1.2
119.04910	1.9
121.02864	1.9
134.03561	0.5
135.04382	1.2
135.08014	0.7
136.01512	0.4
137.02333	0.9
137.09631	1.3
149.02345	1.0
151.00276	1.3
151.03929	0.5
152.01062	0.5
159.04436	0.4
160.03903	0.5
161.02370	0.5
161.04482	0.9
163.03920	1.8
164.04588	0.8
165.01921	0.6
165.05487	0.6
175.00301	0.4
175.03946	0.8
184.07510	0.7
190.02640	1.7
191.03351	0.6
193.01266	0.4
205.04955	1.9
223.06059	1.4
227.08157	1.0
231.11436	0.6
241.05000	0.6
255.02895	2.0
256.03613	0.5
257.09265	1.1
265.09497	0.5
269.04483	1.4
271.02698	0.5
279.07693	0.4
282.05563	0.6
283.02545	0.7
283.07031	0.8
284.03268	5.9
285.03754	1.2
295.06116	1.4
296.06866	3.4
297.04047	0.6
297.07529	0.6
298.04840	1.7
299.05576	9.3
300.02728	1.7
300.05939	1.2
301.03418	0.9
301.08279	3.4
307.06247	0.8
317.11639	0.4
323.23740	1.5
325.07007	0.5
329.17590	0.5
335.23636	0.5
339.08823	0.8
343.09302	0.5
351.23267	0.5
353.07562	0.7
353.21231	0.8
367.08133	3.2
367.17709	1.2
367.22717	0.8
368.08725	0.5
369.20789	0.6
371.08850	1.3
373.23926	1.2
379.08185	0.7
379.22638	0.6
381.24658	0.5
385.10434	0.5
395.22733	0.5
397.09241	3.0
397.23636	5.0
398.24265	0.6
399.25562	3.0
400.25842	0.5
401.23468	1.1
413.19534	0.5
415.24319	0.8
425.23352	1.8
427.10226	0.5
441.22894	1.1
443.24344	18.2
444.24493	2.6
461.25711	0.6
463.08847	0.6
464.09409	0.5
469.22308	3.5
487.12415	2.2
487.23233	5.4
488.23648	0.7
503.26263	2.0
503.32608	0.9
505.15137	1.9
517.13416	2.9
529.24615	0.6
547.25464	100.0
548.25793	16.6
563.21381	0.5
565.29669	0.5
575.15076	1.6
607.16742	12.4
607.27490	24.6
608.17163	2.9
608.27936	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	607.2427
Annotation	Tiliasine
Peak:m/z	Relative Intensity
54.69924	0.3
57.03310	0.7
59.01244	5.0
61.47197	0.4
61.98704	5.7
62.00255	0.4
63.96108	1.0
68.69995	0.3
69.03320	0.9
69.39326	3.2
71.01248	7.8
72.99172	2.4
73.02795	1.8
75.00780	0.4
78.95770	2.2
78.98460	5.2
79.95601	12.8
80.96384	63.1
81.03316	1.1
83.01263	0.6
83.04865	0.6
85.02826	3.3
87.00744	2.9
89.02293	1.0
94.97955	13.7
95.01265	0.5
95.04926	0.6
96.95895	1.0
97.02818	1.5
97.06493	0.4
99.00724	0.4
101.02322	3.6
105.66194	0.4
106.97970	2.8
108.02021	0.4
111.08076	1.0
113.02327	1.4
122.97475	5.2
125.02330	3.6
127.03909	1.1
134.97466	4.2
136.99034	0.8
138.75002	0.4
148.99045	5.3
152.98456	6.0
152.99655	2.6
161.04475	0.6
164.98538	10.8
165.12788	1.2
167.00114	0.5
171.10144	0.5
182.99617	2.6
183.13753	1.6
193.01572	0.4
201.11226	0.5
206.99521	2.5
209.11797	2.6
225.00694	16.5
227.12802	4.9
235.50887	0.4
241.01105	0.9
243.01736	1.4
270.03787	0.6
274.74701	0.5
275.79053	0.5
284.86279	0.4
291.19678	1.8
295.06165	0.6
296.06766	1.3
299.04480	1.7
300.16016	0.9
305.17645	0.5
311.02371	0.4
367.08154	1.5
371.06717	0.5
371.22006	0.5
427.12399	0.5
589.33459	0.5
607.24329	100.0
608.15314	0.9
608.24713	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	607.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96477	0.1
55.01751	0.2
57.03323	1.0
58.00467	0.6
59.01247	14.3
60.01594	0.1
61.19774	0.1
64.68187	0.1
69.18229	0.1
69.95464	0.1
70.01860	0.4
71.01250	6.9
72.99177	0.6
73.02820	0.5
83.01273	0.4
85.02821	9.2
86.03152	0.2
87.00735	0.5
87.10446	0.1
89.02314	8.7
90.02644	0.1
93.98521	0.1
95.01258	0.6
99.00764	0.2
99.04398	0.2
101.02319	5.5
101.05997	0.1
102.02660	0.1
103.03887	15.0
104.04232	0.3
113.02331	3.2
114.02629	0.1
117.05453	0.2
119.03381	3.9
120.03706	0.1
131.03398	0.2
136.31477	0.1
143.03366	0.5
143.55153	0.1
145.04926	0.6
149.04468	0.3
155.72430	0.1
157.04985	0.1
161.04463	0.4
179.05551	0.7
265.09265	100.0
266.09598	5.1
341.10959	0.1
524.00201	0.1
607.20123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70906	0.5
57.03317	1.6
59.01248	100.0
61.98690	2.3
62.81017	0.7
64.02208	0.7
64.93195	0.7
68.99674	1.0
69.03319	1.5
69.85582	3.6
71.01244	8.6
71.01566	0.8
71.04987	0.6
72.99171	2.3
73.02830	2.2
75.00757	1.2
83.01239	1.7
85.02818	4.9
87.00754	4.5
89.02335	2.0
93.03337	1.3
94.97977	1.4
95.01289	2.2
97.02819	1.2
99.00795	0.8
101.02324	3.8
108.02045	1.1
109.02859	1.7
111.00761	2.0
113.02339	3.2
119.03361	0.9
119.04958	2.0
121.02836	1.4
123.04438	0.9
125.02319	0.9
129.33009	0.7
135.02859	0.7
135.04408	5.2
137.02374	1.6
143.10768	0.6
151.00246	1.0
152.01057	0.9
153.05498	1.6
161.04469	1.0
163.03848	0.7
164.04758	0.9
177.12874	0.8
190.02628	1.1
205.05060	2.4
235.91106	0.6
241.14325	1.7
253.08612	0.9
265.09366	1.0
284.03326	2.9
287.12927	0.7
296.06992	1.0
299.05585	6.3
305.22928	0.8
341.26300	1.0
358.26761	0.8
359.28070	2.8
367.08365	1.1
393.19394	2.4
411.14725	1.8
427.17950	0.8
443.20340	1.6
471.16931	1.8
473.22333	1.5
483.21045	0.8
485.21832	3.5
491.19296	4.5
492.19934	1.0
501.21478	3.4
503.32339	11.4
520.16937	1.0
521.33679	3.8
529.20746	13.0
529.28375	1.0
530.14154	0.9
530.21899	2.1
535.28235	1.2
547.21405	4.8
607.17072	2.5
607.25793	1.0
608.18280	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05510	0.5
52.45959	0.6
52.98331	0.7
59.01245	4.0
62.76994	0.5
69.92799	3.2
85.02826	1.2
89.02312	1.1
95.38669	0.5
101.02312	1.9
103.03864	0.5
107.01315	0.7
113.02383	0.7
115.03914	0.7
151.00285	1.1
155.70122	0.5
173.02475	0.6
177.67624	0.6
179.68085	0.5
199.49524	0.5
211.03903	0.8
227.03371	0.7
255.02951	27.5
256.03470	3.5
269.04547	4.2
283.02487	15.7
284.03241	64.6
285.03821	8.4
286.04388	0.6
296.07071	0.8
297.04028	10.8
298.04791	9.4
299.05582	100.0
300.05905	7.9
341.06467	0.8
362.10529	0.6
367.08139	0.8
384.71255	0.5
397.09250	0.7
443.09705	0.8
447.09369	0.6
487.13126	0.7
517.13312	1.4
607.16632	76.9
608.17010	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	607.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19112	1.4
54.77520	1.0
55.01741	1.5
57.03314	1.7
58.00465	4.7
59.01247	100.0
63.09223	1.1
70.37679	3.6
71.01250	57.5
72.99171	8.1
73.02805	3.3
81.03291	1.2
83.01248	4.4
85.02814	10.4
87.00739	3.1
89.02312	64.8
95.01246	5.2
101.00914	1.2
101.02316	41.0
111.00780	1.6
113.02328	20.5
117.03365	2.3
119.03380	31.4
131.03394	3.1
134.63864	1.2
139.23705	1.2
143.03415	4.2
149.02374	1.2
149.04483	2.5
151.00351	2.0
161.02338	1.6
161.04411	3.5
173.00832	1.4
173.02376	1.5
175.00217	1.5
175.03914	2.0
179.05531	7.7
191.03435	1.6
194.10353	1.2
203.03358	1.3
255.02936	6.3
268.03757	2.2
269.04501	2.0
271.02478	3.3
281.04642	6.4
282.05331	7.7
283.02521	1.2
283.06036	5.4
284.03247	29.1
285.03937	3.4
291.03052	1.7
293.04459	1.7
295.06107	6.1
296.06842	17.3
297.07498	3.8
299.05579	51.5
300.02789	2.0
300.05917	4.8
301.03366	2.3
307.06073	20.3
308.06693	2.6
309.07617	1.7
323.05637	3.4
324.06232	1.4
325.07196	9.8
337.07089	2.0
339.08704	3.4
367.08127	21.6
379.08200	2.0
397.09283	9.6
409.09195	2.7
427.09985	6.4
445.17102	2.1
463.08728	1.7
487.12564	17.3
517.13721	5.5
518.13574	1.2
607.16681	66.1
608.16962	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	607.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	3.3
57.03319	2.5
58.00464	3.2
59.01249	100.0
61.39063	1.6
61.98691	2.1
69.49020	2.4
69.49428	10.6
71.01248	41.4
72.99158	5.1
73.02802	5.9
80.78706	1.6
83.01261	3.3
84.28428	1.6
85.02815	13.8
87.00753	4.2
89.02318	37.6
93.03322	2.8
95.01253	4.1
96.95877	9.0
99.00735	2.2
101.02323	29.4
103.03893	3.1
103.64063	1.7
108.02011	2.4
109.02843	2.1
113.02334	16.1
117.03336	2.0
119.03382	19.1
119.04808	1.4
121.02837	2.9
135.04436	1.9
137.02284	3.7
143.03331	2.5
149.02379	2.0
161.02405	2.6
161.04454	2.5
165.03879	3.0
175.00287	3.7
179.05556	4.5
180.91754	1.5
190.02669	7.9
205.04988	7.1
223.05907	2.3
261.11337	2.3
265.09167	1.8
268.03476	2.2
269.04416	2.4
280.03748	2.7
281.04568	3.4
282.05246	5.4
283.06134	1.9
284.03180	1.9
291.03076	7.9
292.03842	7.3
295.06012	2.8
296.06921	4.2
299.05298	1.8
307.02536	2.1
307.06119	42.6
308.06570	2.1
315.08762	2.8
325.07132	7.8
337.07196	4.6
349.07236	1.9
355.08011	2.9
355.22672	1.8
367.08258	5.1
373.23779	2.6
397.09155	4.1
401.23315	12.9
427.10205	5.7
429.83365	1.7
429.89520	1.7
487.12415	3.6
503.32208	15.0
517.13550	3.2
521.33118	6.1
525.14191	1.6
538.25482	1.8
563.30585	1.9
607.16577	67.6
607.25916	9.8
608.17175	8.4
608.26538	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	607.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05119	0.2
59.01242	0.5
69.51073	0.5
69.51485	1.0
71.01263	1.1
73.02831	0.3
73.72216	0.2
75.00748	0.3
82.23448	0.2
85.02808	0.3
95.01257	0.4
98.20531	0.3
100.78323	0.2
101.02325	0.6
102.90813	0.2
107.01305	0.4
107.77760	0.2
108.02024	0.3
117.03394	0.9
119.04945	0.5
121.02866	0.3
134.03595	0.3
135.04413	0.2
143.91762	0.2
145.02873	0.3
147.04326	0.3
149.02313	0.7
149.05983	0.6
159.04358	0.4
161.02338	0.7
163.03923	1.1
173.02385	0.4
175.03920	1.4
177.01794	0.6
179.03539	0.3
189.01865	0.3
191.03380	1.6
193.04866	0.2
194.80719	0.2
203.03470	1.1
215.03500	0.3
221.04500	0.6
233.04541	0.3
240.04199	0.2
241.14415	0.4
267.06531	0.7
268.07343	0.3
280.07251	0.4
281.04538	0.5
282.05295	1.5
283.06021	1.0
293.04669	0.2
294.05106	0.5
295.06100	10.9
295.09567	0.6
296.06870	33.6
297.07382	3.7
305.04593	0.6
306.05402	0.8
307.06104	2.6
308.07040	1.3
309.07623	0.6
310.08450	0.4
311.05670	0.4
311.09192	2.2
321.07635	1.0
322.04633	0.5
323.05582	5.2
323.09161	0.5
324.06131	1.0
325.07251	2.8
326.07535	0.3
328.05765	1.2
335.05533	1.0
336.06235	0.6
337.07047	1.8
338.07889	0.6
339.04791	0.5
339.08725	6.8
340.08981	0.6
349.07181	1.1
351.08655	1.4
352.05630	0.4
353.06516	0.8
354.07434	0.4
361.07022	0.3
365.06567	0.5
367.08191	47.3
368.08496	5.2
369.09906	1.2
370.06998	0.8
379.08194	4.0
380.08716	0.3
382.06879	0.4
395.07831	0.3
397.09250	24.5
398.09821	2.1
409.09186	2.4
410.09747	0.3
411.10889	0.6
418.96573	0.3
421.09244	0.4
427.10315	1.6
439.10364	1.0
451.09625	0.3
469.11368	0.5
487.12439	15.4
488.12924	1.5
517.13519	3.2
518.13800	0.3
529.13733	0.4
547.14673	0.3
589.15991	0.7
607.16632	100.0
608.16974	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	605.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.3
58.00465	1.4
59.01242	5.0
61.98702	6.0
67.01764	1.4
70.02787	0.8
70.03178	0.9
71.01250	4.9
72.99162	0.5
73.02814	11.9
78.95763	0.3
80.02515	0.4
83.04891	55.5
84.02044	0.4
84.05223	1.1
85.02819	6.2
85.06455	0.6
87.04384	18.6
88.00266	0.5
88.04680	0.4
88.98679	0.8
97.02856	0.5
97.06464	3.7
99.04369	0.6
101.02272	0.4
101.05955	29.9
102.06272	0.4
103.03853	0.3
124.05165	0.8
148.35097	0.4
165.12741	0.5
189.12532	0.3
291.97006	0.3
315.23074	0.4
343.25983	0.4
355.26401	0.9
357.24292	1.1
369.27884	1.0
371.25864	1.1
372.26230	0.4
373.27441	3.1
381.27957	0.8
385.27374	1.0
387.29065	3.2
388.29175	0.6
389.30212	0.6
393.27829	0.7
399.28964	2.9
401.31061	0.5
403.28503	0.9
405.29950	0.8
407.31946	0.6
411.29022	2.8
413.30911	0.4
415.28693	0.7
417.30258	3.2
426.42230	0.4
429.30121	2.4
431.28040	0.5
433.29700	0.5
447.31189	0.8
457.33194	9.8
458.33646	1.2
471.34805	3.6
472.35098	0.5
483.34793	8.5
484.35068	1.1
487.33969	0.5
495.35007	1.6
497.36469	0.4
499.34259	0.9
501.35825	39.8
502.36096	5.8
513.35638	1.4
527.37189	0.5
531.36859	100.0
532.37231	16.6
532.43994	0.3
539.37445	2.9
540.37744	0.6
557.38446	12.9
558.38959	3.1
605.40540	18.1
606.40802	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	606.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.7
61.74108	0.2
61.98702	100.0
71.01252	0.6
71.53027	0.2
78.95783	0.6
79.95615	0.3
80.96367	0.5
85.02829	0.4
87.00761	0.2
89.02340	0.2
89.90592	0.2
94.97961	0.3
101.02332	0.5
107.29214	0.2
113.02377	0.3
141.39290	0.2
152.99524	0.7
158.00540	0.2
209.11841	0.7
211.13379	0.2
223.80385	0.2
287.16592	0.2
291.19684	0.3
305.17783	0.3
367.08414	0.5
397.09369	0.3
491.17465	0.2
502.98969	0.2
562.27039	0.3
607.16595	0.7
607.25391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01583	1.3
61.98708	2.3
67.31939	0.4
69.25048	3.7
71.01254	0.5
101.02300	0.4
139.59070	0.3
151.13506	0.4
220.43629	0.3
269.45404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15474	0.3
54.07429	0.2
57.03312	0.8
58.00471	1.4
59.01245	4.5
61.98701	0.4
64.82683	0.2
67.01750	1.1
67.99197	0.3
68.68969	0.2
69.03330	0.3
71.01255	4.3
71.52896	0.4
72.26467	0.2
72.99168	0.5
73.02815	11.7
78.95776	1.1
81.03327	0.3
83.04893	55.7
84.02036	0.3
84.05232	1.2
85.02821	6.0
85.06436	0.4
87.04385	17.3
88.04721	0.3
95.04909	0.3
97.06463	3.5
99.04379	0.3
101.05961	30.8
102.06288	0.7
103.03887	0.5
113.81932	0.3
124.05164	0.6
125.89970	0.3
152.99471	2.2
158.05875	0.3
173.09662	0.4
235.16954	0.3
270.82504	0.3
315.23029	0.3
329.24786	0.4
343.26517	0.4
355.26428	0.8
357.24280	1.2
369.27841	1.1
371.26035	1.2
373.27414	3.2
374.28110	0.3
381.27835	0.9
383.25717	0.5
385.27484	0.5
387.29044	3.5
388.29080	0.4
389.30771	0.7
393.28061	0.6
397.27408	0.4
399.28976	3.5
400.29279	0.4
401.30667	0.5
403.28418	1.0
405.29843	0.6
407.31659	0.7
411.28964	3.0
412.29337	0.6
415.28677	0.4
417.30243	2.9
419.31702	0.3
427.28119	0.3
429.30194	2.3
430.30289	0.4
431.22217	0.6
431.27762	0.7
433.29639	0.5
447.31284	0.7
457.33170	9.6
458.33707	1.5
471.34863	3.4
472.34659	0.6
483.34763	7.8
484.35275	1.3
487.34384	0.9
494.58075	0.3
495.34949	1.2
497.36658	0.3
499.34488	0.4
501.35846	36.1
502.36200	6.1
513.36121	1.4
527.37109	0.5
529.35455	0.3
531.36871	100.0
532.37238	15.7
539.37323	2.7
540.37775	0.5
557.38458	10.3
558.38898	2.3
569.38995	0.3
605.40601	12.9
606.40845	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	605.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04518	0.7
52.43968	0.6
57.03321	13.1
58.00464	1.2
58.67762	0.7
59.01250	30.4
61.77650	0.6
61.88491	0.6
61.98694	2.5
69.03323	1.0
71.00900	1.1
71.01254	14.0
71.04890	2.3
73.02812	3.0
75.00752	1.0
79.95576	0.7
80.96373	0.8
83.01244	1.7
85.02825	20.4
85.06447	4.2
87.00746	1.1
89.02309	7.2
95.01260	0.8
97.06454	0.9
98.20589	1.5
99.00736	1.3
99.04408	1.2
100.29021	0.7
101.02319	7.7
101.05991	0.8
103.03888	31.7
108.02052	1.0
109.06468	0.8
111.00712	0.6
113.02341	5.0
119.03370	2.6
119.04906	1.0
121.02862	1.5
125.02319	1.1
125.09658	0.6
132.12352	0.7
135.11653	1.9
137.02307	0.9
139.11201	2.2
143.03378	1.0
143.10681	11.4
149.02361	1.2
152.01041	1.3
161.04449	1.4
169.12160	0.8
175.00284	1.6
179.05409	0.7
179.10677	1.6
190.02657	3.6
201.14897	2.3
205.04994	5.1
211.16954	1.9
226.10799	0.6
229.17967	1.1
232.09912	0.8
247.08313	0.8
265.09283	20.8
266.09491	1.2
297.24319	1.2
311.25671	1.2
313.27518	3.0
331.15552	0.8
337.27469	2.9
357.26447	19.1
358.26663	1.3
371.27893	0.8
372.28217	0.9
381.26468	9.3
382.26685	1.1
479.61682	0.7
501.30576	1.3
545.20715	1.4
545.29724	2.0
561.32733	7.1
562.33057	1.5
563.22333	0.9
563.30841	1.7
605.23840	3.5
605.35486	100.0
606.21576	1.2
606.35840	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68603	2.1
57.03311	8.4
58.00444	3.0
59.01249	100.0
61.98710	3.7
69.03333	2.3
69.37292	21.5
71.01251	38.1
72.99174	7.2
73.02805	6.5
75.85584	2.2
83.01239	6.6
85.02821	20.2
87.00755	2.2
89.02308	15.3
93.03338	2.4
95.01266	3.8
99.00735	4.6
101.02315	15.1
108.02040	6.8
109.02862	3.1
111.00744	2.4
113.02304	17.6
119.03362	3.3
119.04902	2.1
121.02917	3.6
125.02344	4.1
143.03360	3.2
149.02370	3.6
152.01039	4.8
153.52299	2.8
157.12215	2.2
158.43074	2.2
161.04485	7.4
186.37921	2.5
190.02621	5.9
205.04962	4.0
245.88474	2.2
283.06036	3.3
297.03998	2.7
313.27228	3.7
339.24994	2.9
357.26434	18.9
435.60666	3.1
457.17459	4.9
483.29520	2.7
501.30701	69.5
502.30823	8.3
519.31744	20.7
561.32727	4.4
587.48755	2.8
605.21313	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	605.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.5
57.03323	13.4
59.01248	100.0
60.01566	2.1
61.98702	56.5
66.99744	1.4
69.03318	2.6
71.01248	14.1
71.04873	1.7
71.52466	1.2
72.94227	1.2
72.99178	3.0
73.02811	6.0
83.01256	2.6
83.04919	2.3
85.02823	10.8
85.06474	6.5
87.00748	2.6
87.04392	2.0
89.02308	4.3
95.01257	1.6
95.04883	2.4
97.02806	1.3
97.06464	3.5
99.00758	7.3
101.02340	4.1
101.05961	25.2
109.06461	3.6
111.00765	1.7
113.02331	6.1
113.05970	2.2
119.03391	2.3
125.02336	1.3
125.05949	1.6
143.10727	6.1
149.79327	1.3
161.04395	1.6
163.04050	1.2
195.17526	8.3
209.11761	1.7
211.09695	1.3
211.13187	1.7
281.24872	6.8
289.18015	1.8
297.27988	5.3
309.20511	2.4
335.18680	3.6
341.26913	83.9
342.27344	8.4
347.18668	3.4
365.26764	6.3
375.17731	1.9
403.17496	1.5
415.21301	3.4
417.19238	2.2
417.26395	2.2
433.22195	5.8
477.21271	3.5
485.30988	2.0
517.27411	1.6
561.27124	18.1
562.27429	4.9
605.25995	4.9
605.35974	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05456	1.7
55.01760	2.2
57.03314	5.8
58.00459	1.7
59.01249	100.0
60.01583	2.7
61.98703	4.6
65.78861	1.8
66.73191	1.6
69.03324	2.4
71.01253	35.5
72.99178	3.9
73.02821	10.4
75.00782	1.4
80.96389	1.6
83.01253	4.4
83.04922	1.8
85.02818	15.8
85.06484	1.7
87.00761	4.4
89.02309	12.3
93.03364	2.1
95.01256	3.2
96.95906	2.6
99.00731	2.6
101.02327	21.1
103.03905	4.5
108.02057	6.5
111.00748	2.2
113.02329	17.6
119.03394	2.9
119.04877	2.3
121.02877	1.9
125.02307	2.7
135.04550	1.9
135.98123	1.6
137.02309	3.0
137.05882	1.6
143.10696	3.0
145.66893	1.7
147.15588	1.6
149.02440	1.9
150.06784	1.5
152.01041	12.1
153.01709	2.5
153.05447	2.7
161.04424	6.0
190.02650	4.4
205.05002	4.4
223.05862	2.5
237.85767	1.8
264.73123	1.7
269.04474	1.7
277.84644	1.8
339.25351	9.9
357.26376	4.0
411.17508	2.0
501.30679	50.2
502.30945	6.3
503.31985	1.8
519.31549	14.2
545.29022	4.1
561.24207	2.1
561.32813	6.7
563.30090	6.3
605.20837	5.8
605.29657	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	19.7
59.01247	32.8
61.98676	2.1
63.96107	3.4
69.03327	2.4
69.40347	9.6
71.01233	11.1
71.04890	3.5
72.99181	3.2
73.02804	3.8
83.01261	2.4
85.02831	4.8
85.06440	7.4
89.02315	2.8
89.03658	1.1
93.03347	1.4
95.04910	1.3
97.37207	1.2
99.08057	1.6
101.02324	6.0
107.58186	1.2
109.02807	1.8
113.02295	5.7
119.04925	1.8
121.02776	1.8
124.01411	1.1
129.09052	1.7
135.98279	6.0
139.11165	4.9
143.10680	26.5
144.11015	1.5
158.31155	1.4
161.04446	1.8
201.14870	2.7
229.18129	1.4
285.03799	1.5
297.24234	1.4
311.25790	2.1
313.27518	13.0
357.26422	100.0
358.26868	8.9
381.26389	9.2
483.20026	1.3
501.30621	8.3
502.31174	1.5
519.31775	1.8
545.28693	1.7
561.31671	1.8
563.29852	2.4
598.06055	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89592	0.6
57.03314	0.8
59.01249	42.9
60.01574	1.0
61.98700	8.9
71.01250	5.3
71.52574	1.2
73.02808	1.9
75.00717	0.9
78.04948	0.6
80.96405	1.0
85.02813	2.1
85.91412	0.7
87.00764	1.0
89.02319	1.8
90.84087	0.6
95.01257	1.0
99.00807	0.6
99.04388	1.0
101.02312	3.6
101.05946	2.9
111.08002	1.1
113.02359	1.3
117.03348	17.6
119.03396	0.8
119.04856	1.1
132.69592	0.6
151.00276	0.8
157.26276	0.7
159.78345	0.6
161.04417	0.7
175.00290	2.4
176.98260	0.7
179.05482	0.8
185.02400	1.2
197.11784	4.0
209.11848	0.7
211.03940	1.1
211.13171	0.7
227.03529	0.8
231.06609	5.8
239.03508	1.0
251.03442	1.2
252.04219	1.0
253.09198	3.9
267.02951	2.5
268.03781	8.5
269.04556	4.4
291.19662	1.1
295.02478	7.3
296.03125	1.9
309.20776	6.3
311.05511	1.8
323.09079	0.7
337.14243	0.8
351.08673	16.5
352.09018	1.8
357.26389	1.4
383.11334	100.0
384.11664	12.0
397.12857	0.9
425.12579	1.9
471.30139	0.8
561.32733	0.8
605.24518	1.1
605.35303	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2608
Annotation	CHEBI:66777
Peak:m/z	Relative Intensity
57.03320	4.3
58.09895	0.6
59.01247	29.9
61.98686	2.5
69.03330	4.6
69.46037	5.4
71.01257	6.8
71.10378	0.6
73.02820	1.7
81.03265	1.0
83.01241	1.1
83.04868	2.7
85.02833	4.1
87.00735	2.4
87.04373	5.9
89.02301	2.9
91.28528	0.6
93.03297	1.1
95.01259	1.0
95.04857	0.7
97.02827	6.2
98.19888	1.0
101.02299	3.4
107.08526	0.9
108.02042	1.9
109.02860	0.9
111.00745	1.3
113.02305	2.6
119.03386	0.8
119.04892	2.5
121.02833	1.2
125.02323	0.8
134.03539	0.7
135.08034	1.2
137.02371	0.8
137.05974	0.8
137.09630	3.7
138.01680	0.6
147.73572	0.8
152.01019	0.9
161.04402	1.3
163.03915	1.1
165.05484	0.9
165.19724	0.7
190.02652	1.7
205.05029	1.5
223.05952	0.8
241.05083	0.6
269.04501	1.8
284.03021	0.9
285.03809	1.2
295.20819	0.7
309.21967	0.8
323.23923	0.9
337.21780	1.9
368.82114	0.7
369.24152	3.3
379.22672	2.2
381.20575	4.1
397.23807	11.3
398.24060	1.3
413.23108	1.3
415.24762	0.9
423.21674	1.7
441.22778	13.3
442.23199	1.3
483.23489	0.8
485.21649	1.9
501.24542	1.4
501.30841	1.4
544.28241	0.9
545.23773	100.0
546.24207	12.9
561.23969	1.4
563.29901	0.9
605.26166	5.7
606.26068	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03049	1.2
57.03320	18.5
59.01245	15.2
61.98699	1.1
71.01253	8.3
71.52531	0.8
72.99188	1.2
73.02810	4.7
83.01270	2.1
83.04912	1.9
85.02810	4.3
87.00740	1.4
89.02318	4.2
93.03326	1.3
95.01285	0.7
97.06469	0.7
99.04405	0.7
101.02315	4.7
103.03898	1.1
105.01795	1.6
111.00735	1.2
113.02325	3.3
115.62296	0.7
119.03374	2.6
119.04857	1.0
120.05247	0.9
121.06450	0.7
123.04366	0.8
123.08030	4.2
125.02334	0.8
134.00409	0.7
135.04373	1.0
135.06514	2.0
137.02341	1.7
137.09627	5.9
139.07607	0.9
139.11182	2.6
149.09622	10.0
151.11192	2.1
152.00990	1.2
160.03909	0.7
161.04492	1.8
161.09615	1.1
163.03976	1.0
165.05461	0.7
165.12770	4.3
167.14268	1.1
177.12735	3.1
179.10631	1.9
195.13829	54.5
196.14153	2.5
239.12840	100.0
240.13200	6.4
263.12866	27.9
264.13159	2.0
265.09305	1.5
279.10767	4.9
295.10138	1.1
297.11920	4.0
319.63284	0.7
339.12930	10.8
365.10776	4.2
515.25000	0.9
605.24683	3.9
606.23401	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97265	0.4
70.81338	1.1
92.11044	0.4
93.82899	0.4
117.09788	0.5
119.07662	0.4
261.82745	0.4
328.05969	0.4
413.14514	0.5
415.15213	0.6
416.16751	0.8
429.17151	1.1
430.17813	1.2
443.19199	0.7
444.18753	0.5
457.20401	1.8
458.21252	1.0
459.17673	2.7
461.23471	0.8
470.21490	0.9
471.18558	1.9
472.18555	0.8
473.19748	5.1
474.19949	1.0
485.18387	2.5
485.24365	1.0
486.20865	3.9
487.21274	0.8
496.18903	1.1
499.17526	2.4
500.17795	0.5
501.22858	2.1
511.21405	2.3
512.21991	0.6
513.19299	3.3
514.19971	7.9
515.20605	1.2
518.19427	1.2
528.21521	0.6
529.22406	100.0
530.22778	16.3
530.28906	0.4
532.21075	1.4
533.21350	2.2
573.21552	1.5
605.24127	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05239	0.6
54.25703	0.6
57.03317	20.4
59.01248	14.9
61.98689	1.1
68.99702	0.7
69.03323	0.7
69.17271	4.2
69.17694	2.8
71.01247	7.6
72.99167	1.0
73.02818	3.0
75.00755	1.0
83.01251	1.0
83.04887	1.5
85.02832	3.1
85.06497	0.7
87.00761	0.8
89.02308	5.1
93.03355	1.4
99.00750	1.0
99.04433	0.8
101.02318	4.9
103.03870	1.2
105.01835	1.6
108.02083	0.7
109.02831	1.0
111.00749	1.1
113.02312	3.0
119.03350	1.1
119.04923	1.3
121.02812	1.3
121.06456	0.7
123.08012	3.8
125.02328	1.0
134.03572	0.7
135.04355	0.9
135.06534	2.4
137.02345	1.4
137.09631	5.9
139.11165	2.7
149.09598	8.0
151.11205	1.5
152.32285	0.6
160.03871	0.7
161.04448	2.6
161.09610	0.6
165.12730	5.1
167.14424	1.5
177.12794	3.8
179.10707	2.7
195.13821	40.0
196.14139	2.8
205.05081	0.8
221.69690	0.6
239.12834	100.0
240.13135	5.0
261.37405	0.6
263.12863	25.7
264.13138	2.0
265.09253	2.0
279.10718	4.1
292.70871	0.6
297.11926	5.7
323.94684	0.7
335.18436	0.9
339.12982	11.2
340.13501	1.0
365.10867	3.9
575.32788	0.9
579.79340	0.8
605.24927	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	605.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09561	0.2
56.71312	0.2
61.98709	0.2
67.22889	0.2
71.52901	0.2
89.61797	0.2
92.04919	0.2
106.06512	0.2
113.34393	0.2
116.70565	0.2
121.02799	0.3
136.41655	0.2
147.08049	0.5
162.05632	0.2
179.60492	0.2
279.92532	0.2
394.11746	0.3
400.16864	0.2
401.17606	0.3
415.15555	0.8
416.16235	0.7
424.16843	0.2
427.19580	0.3
428.16180	0.5
429.17273	1.0
430.17999	1.5
443.19318	0.9
444.19159	0.6
455.19232	0.4
457.20926	1.9
458.16379	0.3
458.21643	0.4
459.17804	3.3
460.18500	0.6
461.23489	0.4
467.19461	0.2
468.19159	0.3
469.20071	0.3
470.21027	0.8
471.18152	2.0
472.18878	0.8
473.19708	4.9
474.19986	1.1
475.21432	0.9
484.14764	0.2
485.19559	2.0
485.23965	1.2
486.20779	4.1
487.21637	1.3
496.18820	1.0
499.17532	2.6
500.18338	0.8
501.23853	3.3
502.20715	0.6
511.21475	2.6
511.28830	0.2
512.21478	0.5
513.19324	3.2
514.19983	7.9
515.20593	1.3
517.18646	0.9
518.19672	1.8
527.20776	0.4
528.21777	0.6
529.22400	100.0
530.22748	19.8
532.21021	1.8
533.21826	2.1
534.21936	0.2
546.22424	0.3
561.25140	1.2
573.21570	1.1
604.41003	0.4
605.23730	1.5
605.41559	0.7
606.23969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.224
Annotation	Woorenoside II
Peak:m/z	Relative Intensity
54.05542	0.9
54.05830	0.9
55.01751	0.9
59.01240	9.1
69.50401	2.0
69.50810	5.3
71.01249	6.1
73.02808	1.5
83.01225	0.9
85.02793	3.2
87.04404	2.0
88.11304	0.9
89.02280	1.2
95.01263	2.0
98.19819	1.5
101.02306	3.8
106.04113	5.6
107.04885	2.0
108.02055	49.3
109.02853	20.6
113.02386	2.0
119.04929	1.4
121.02806	1.4
123.00780	1.0
137.47305	1.1
141.58112	0.9
150.03134	1.3
152.01060	63.4
153.01851	18.2
163.03912	1.5
175.11192	7.4
187.11221	2.2
245.15620	1.0
263.16467	1.9
265.09109	1.2
307.15497	20.8
308.15839	2.0
315.07211	12.9
316.07419	1.0
451.19809	1.8
501.30466	1.6
531.39484	1.1
577.18152	1.0
605.22345	100.0
606.22729	16.2
622.53357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18969	0.5
57.03312	0.9
59.01250	59.4
61.98701	6.5
67.30514	0.6
71.01249	5.3
71.52738	0.8
73.02806	1.9
83.01270	1.1
83.04903	0.6
85.02821	2.3
89.02308	2.1
89.19521	0.5
95.01212	0.8
96.95844	0.9
97.02837	0.9
99.00759	0.7
99.04398	1.7
101.02328	2.9
101.05966	2.8
103.03854	0.6
113.02320	1.7
117.03343	19.7
119.03399	0.8
125.89259	0.5
149.02437	0.7
161.04439	1.0
164.66714	0.6
175.00273	2.8
176.98180	0.6
183.04535	0.6
185.02364	2.3
197.11722	1.2
223.04076	0.7
227.03436	1.1
231.06590	5.7
239.03412	1.2
251.03458	1.7
252.04201	0.6
253.09242	1.3
267.02905	2.0
268.03745	6.0
269.04526	5.4
281.04514	1.3
291.19647	1.2
295.02505	8.0
296.03101	1.7
309.20749	3.8
311.05630	2.3
323.09351	1.3
351.08691	17.5
352.08994	1.9
357.26337	1.5
373.80219	0.7
383.11337	100.0
384.11707	10.7
396.12122	1.2
397.12833	0.7
425.12518	1.6
457.08005	0.7
485.30948	1.1
578.12219	0.7
605.35376	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81871	0.3
59.01247	100.0
60.01587	1.2
61.98699	1.0
68.88509	0.3
70.27177	0.9
70.27586	0.5
73.56282	0.3
76.72937	0.3
98.20270	0.6
101.05969	0.4
103.84177	0.2
116.37665	0.3
126.38098	0.3
129.39854	0.3
180.16612	0.3
634.71417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68638	1.3
57.87653	1.5
59.01246	64.1
60.01589	7.9
61.01669	8.0
61.98699	100.0
87.04413	2.2
89.02296	1.5
99.00727	1.8
450.02686	1.8
545.34332	2.2
546.34979	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	604.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	40.0
60.01582	5.4
61.01669	5.5
61.98701	100.0
69.80459	2.2
69.80853	1.2
71.01257	1.4
73.02814	0.9
80.06023	0.6
87.04416	0.8
94.22923	0.7
98.20554	0.8
101.05965	2.4
194.06116	0.9
461.29675	0.8
462.29608	1.0
501.33395	0.7
545.35132	2.4
546.35284	3.1
604.22504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.4
60.01586	0.3
61.01674	0.5
61.98699	100.0
62.98396	0.3
70.81586	0.4
71.06073	0.1
101.05992	0.2
151.84442	0.1
172.48996	0.1
188.82503	0.1
216.00539	0.1
345.77585	0.2
353.75293	0.2
392.77286	0.1
461.29456	0.2
465.20535	0.1
545.35217	0.2
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
54.25161	0.4
57.03305	1.1
59.01249	5.0
61.98684	1.8
69.03313	1.3
69.64555	1.2
69.64972	2.3
71.01254	7.0
72.99180	0.8
73.02818	2.2
81.03335	0.8
81.12753	0.5
83.01261	1.4
85.02827	5.3
87.00751	1.4
89.02316	2.0
93.03371	1.2
95.01270	1.9
96.95889	0.9
97.02796	1.1
99.00771	1.1
101.02306	3.3
107.04873	0.6
108.02048	75.6
109.02851	31.8
109.03605	0.8
109.06449	0.6
110.03127	0.6
111.00743	0.8
111.04355	0.6
113.02297	3.8
118.37171	0.5
118.97978	0.7
119.03395	0.9
120.32536	0.4
120.99567	0.5
121.02821	2.7
123.00771	1.7
123.04401	2.7
125.02328	1.2
132.02054	0.5
133.02863	3.3
135.00760	3.1
135.04414	1.2
135.07997	0.6
137.02312	1.2
138.06747	0.8
149.02400	0.9
151.03903	2.4
152.01053	90.8
153.01843	36.9
153.09122	2.2
154.02156	0.7
161.04488	1.2
163.03908	3.6
165.01797	3.7
165.05492	0.8
176.01094	2.1
177.01848	32.8
178.02237	1.4
181.04971	0.5
191.03297	1.0
205.05011	0.6
219.02960	0.8
221.10400	0.7
225.03998	0.6
249.04239	0.5
255.12331	2.9
267.07214	1.1
279.12332	0.9
281.10214	1.3
315.07208	100.0
316.07504	6.0
339.07187	47.2
340.07547	3.4
357.08118	0.9
358.97955	0.6
383.06180	38.7
384.06482	3.4
401.07202	18.3
402.07657	1.3
446.33191	0.5
466.93536	0.5
595.37128	0.5
605.16766	7.6
606.18097	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	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98815	1.6
53.22251	1.5
56.36349	1.9
57.03307	7.9
59.01245	64.9
61.98700	12.4
67.01742	4.7
68.99678	7.9
69.03317	10.6
71.01250	17.0
71.53532	2.6
72.51165	1.5
72.99191	3.0
73.02797	3.7
75.00780	2.1
80.02528	2.1
81.03320	4.3
83.01257	3.2
83.04910	4.0
85.02804	7.4
85.06422	2.4
87.00755	2.1
89.02312	7.1
91.05409	2.6
93.03306	2.0
95.01283	10.0
95.04897	6.9
96.40733	1.6
97.02827	14.4
97.06456	7.1
99.00768	3.4
101.02314	8.8
101.05961	66.8
107.04882	4.2
109.02823	2.6
109.06465	15.2
111.04392	1.9
111.08012	4.8
113.02319	5.0
113.05946	2.1
117.00347	2.1
119.04908	1.7
121.06468	2.2
123.04408	3.2
125.02245	2.5
125.09544	1.8
127.56824	1.9
133.06520	2.3
135.04359	5.0
135.08029	3.4
137.05975	2.6
147.08049	2.1
149.09627	3.2
151.07509	2.0
151.11172	6.0
153.09096	2.3
153.12659	1.9
155.10713	2.2
161.04414	3.6
163.03815	2.4
163.11221	2.0
165.12744	10.8
171.10202	4.0
175.82755	1.8
179.10657	2.3
181.12234	6.8
187.07481	3.1
191.10703	5.7
205.12221	3.4
209.11740	40.4
210.12146	3.1
211.09648	5.2
211.13322	8.1
213.09244	2.3
217.54430	2.0
227.12790	14.7
241.54848	1.7
245.19028	8.4
253.09261	22.8
258.94821	1.8
263.20102	12.6
267.13828	2.0
271.16879	2.4
289.15091	2.5
289.18073	15.7
307.19107	66.5
308.19348	5.7
345.17175	2.4
361.20065	2.5
399.17804	3.3
401.19415	3.6
403.21198	3.1
413.19604	2.4
415.21078	4.6
425.19446	5.8
431.20496	8.8
443.20724	16.5
444.21106	3.1
445.20660	12.8
459.19833	2.8
460.19638	3.6
487.19632	6.0
515.26471	100.0
516.26843	19.8
519.22327	4.9
527.26514	16.3
543.27057	12.0
544.27502	3.1
571.25238	11.2
603.28021	34.6
604.28387	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81312	0.3
55.01754	2.4
57.03316	3.5
58.00461	2.4
59.01248	100.0
60.01587	1.2
61.98703	0.4
69.03331	0.9
71.01250	55.1
71.29435	0.5
72.01598	0.7
72.99171	2.4
73.02819	13.2
74.03168	0.3
75.00749	0.6
81.03321	0.4
83.01260	5.5
83.87254	0.2
84.02065	0.3
85.02818	20.7
85.99958	0.3
86.03144	0.4
87.00748	3.5
88.66698	0.3
89.02313	32.9
90.02637	0.5
93.03338	0.6
95.01260	5.4
95.73331	0.3
97.02818	1.7
99.00756	3.4
99.11270	0.3
101.02318	31.5
102.02665	0.8
102.05492	0.6
103.03897	0.4
107.04934	0.4
108.02053	5.7
108.02805	0.3
109.02844	2.6
111.00749	0.9
112.01551	0.6
113.02325	37.0
114.02670	0.7
115.03889	0.3
117.97198	0.4
119.03384	15.2
119.04810	0.6
120.03721	0.5
123.04444	0.4
123.08005	0.3
124.01552	0.8
125.02332	2.7
128.03400	0.6
129.01837	1.2
131.03374	2.4
135.00809	0.4
137.02332	0.9
141.01823	0.4
143.03391	6.3
146.04489	0.7
149.02405	0.3
149.04495	1.6
152.01051	5.9
153.01814	1.7
155.03416	0.3
158.58337	0.3
159.02934	1.2
161.04451	11.8
164.04710	0.3
165.01752	0.4
173.09612	0.4
176.03299	0.3
179.05524	7.7
190.02657	0.4
195.13818	2.2
217.08595	0.4
241.14415	10.3
242.14598	0.5
265.14368	1.8
287.12842	0.3
289.88864	0.3
293.12286	0.3
305.14038	0.5
315.07108	0.9
335.13559	0.3
337.23776	1.0
355.11905	0.6
361.11298	0.4
381.22766	1.8
399.23883	4.7
400.24078	0.4
404.43741	0.4
469.24686	0.3
481.22766	0.4
483.29651	0.4
495.25983	0.4
507.25479	0.3
513.26501	0.5
543.28070	33.3
544.28394	5.1
561.29108	27.1
562.29565	4.0
585.19623	0.6
603.20691	9.6
603.30280	1.5
604.20990	1.3
604.27863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	4.0
57.72020	1.8
59.01246	71.9
61.98708	10.6
69.03309	2.6
69.77181	3.2
69.77596	8.3
71.01252	14.7
73.02828	2.7
81.03320	2.0
83.01257	6.3
85.02812	5.3
88.98672	16.8
89.02308	11.7
95.01231	2.2
95.04889	3.7
97.06458	4.5
98.20512	3.0
101.02320	12.0
101.05959	4.6
113.02321	8.0
118.62268	1.9
119.03352	2.8
119.04922	2.1
121.06474	3.2
123.04374	3.3
123.07948	2.0
125.05952	1.8
125.09609	6.8
135.07961	2.0
137.09601	4.0
161.04462	6.2
163.11203	8.9
165.12764	2.4
181.92143	2.0
185.11719	6.3
189.27049	2.3
191.10658	2.0
191.14322	10.0
196.02463	2.0
207.10103	4.1
209.11745	24.1
211.13388	3.5
219.14041	1.9
223.09766	2.8
225.11256	4.1
237.11287	4.0
245.19002	17.7
246.19496	2.7
251.08871	2.4
253.09251	43.3
254.09480	2.5
263.20129	3.9
272.05389	2.6
289.18069	100.0
290.18356	9.2
307.19119	95.1
308.19498	8.6
337.10962	2.2
339.11523	2.4
408.67282	2.2
543.27710	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28831	0.6
59.01249	3.3
60.99163	2.5
61.98703	0.8
71.52777	0.9
72.39705	0.6
73.11588	0.7
87.00755	5.4
87.04394	2.0
88.00271	10.2
88.01091	1.2
88.98669	17.7
89.02310	100.0
90.02646	1.7
100.05917	0.7
151.93678	0.7
277.21759	2.0
324.98096	0.7
483.96774	0.7
585.35980	0.8
615.33130	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.1
57.03318	3.2
58.00469	1.8
59.01248	100.0
60.01584	1.4
61.98707	1.3
69.03320	1.3
69.80228	0.8
69.80634	1.6
71.01250	51.2
72.01595	0.8
72.99170	2.6
73.02818	13.0
75.00759	0.8
81.03333	1.2
83.01257	7.3
85.02818	22.4
85.99963	0.7
86.03159	0.7
87.00740	3.6
88.98655	0.8
89.02312	24.4
89.41837	0.4
93.03331	1.4
95.01259	5.4
97.02816	2.1
99.00755	5.2
100.62240	0.4
101.02316	30.3
102.02670	0.6
103.03915	1.4
107.01270	0.5
107.04927	1.0
108.02044	17.2
109.02844	7.7
111.00771	1.6
112.01528	1.0
113.02325	31.1
114.02630	0.5
115.03927	0.7
116.92728	0.4
117.97182	0.8
119.03387	12.0
119.04813	0.8
121.02846	1.2
123.00812	0.9
123.04411	0.8
124.01553	1.9
125.02338	4.4
129.01833	1.0
131.03407	1.2
135.00723	0.4
137.02379	0.9
142.02589	0.5
143.03401	5.1
149.02325	0.6
149.04456	1.2
151.00290	2.5
151.03886	1.0
152.01048	19.0
153.01842	5.8
159.02927	2.2
160.04005	0.4
161.04468	11.4
161.05817	0.9
163.03923	0.9
163.07692	0.5
169.01378	0.6
169.92236	0.4
173.09624	2.6
179.05519	4.4
183.08272	0.5
190.02628	0.8
191.10631	0.5
205.05051	0.9
217.08635	2.4
241.14400	2.3
255.03067	1.5
265.09283	0.9
266.09607	1.0
267.09866	0.8
271.06155	0.5
283.02478	1.4
284.03168	0.7
285.04129	2.6
305.13943	1.6
315.07263	3.4
337.23819	1.0
381.22934	2.9
396.04587	0.5
399.23849	7.7
400.24277	0.9
453.21057	0.4
455.21689	1.9
487.28555	0.5
489.24084	0.5
513.27008	0.6
517.13672	1.0
521.66980	0.7
543.28082	50.9
544.28394	8.2
559.23291	1.1
561.29083	44.8
562.29456	7.8
573.72748	0.4
585.19696	1.2
603.20770	31.0
603.30377	2.7
603.71027	0.6
604.21167	5.5
604.36530	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44525	1.9
55.30571	1.8
57.03308	6.5
57.97424	4.0
59.01249	100.0
60.01592	2.4
61.98709	11.2
67.01753	4.2
68.99670	5.0
69.03316	7.5
69.34062	15.4
71.01249	19.5
72.99172	3.5
73.02809	5.0
74.84368	1.9
78.95761	4.7
81.03332	2.5
83.01246	6.3
83.04905	2.5
85.02799	6.2
85.06410	2.0
87.98780	2.0
89.02332	11.5
93.03326	2.1
95.01257	6.4
95.04875	2.9
96.96833	6.8
97.02813	9.1
97.06479	6.1
101.02303	12.7
101.05960	39.5
107.04865	3.1
109.02834	2.5
109.06467	6.8
111.04382	3.3
113.02323	8.4
113.05949	2.1
119.03382	3.0
119.04860	3.8
121.02809	3.7
123.04380	7.1
125.02281	2.3
125.09586	7.5
133.06488	2.5
135.04388	3.8
135.08015	2.7
137.09558	2.7
141.01164	4.0
149.05965	2.5
151.11101	2.1
161.04446	6.6
163.11166	7.2
165.12839	3.0
171.10225	4.8
173.09250	2.0
185.11755	6.2
191.14304	7.7
209.11760	20.3
211.13258	4.7
212.13715	2.5
225.11241	4.3
237.11176	3.8
245.19005	14.4
253.09244	32.3
263.20090	4.8
287.12857	2.1
289.18085	77.5
290.18372	8.5
307.15701	4.3
307.19147	73.9
308.19495	8.2
363.92963	2.1
381.19977	2.7
425.19510	4.5
428.17773	2.4
441.14951	13.2
443.20633	8.0
499.26999	3.0
515.26550	46.6
516.26666	8.2
519.22577	2.4
526.38153	2.2
527.26385	3.5
543.27026	4.3
571.25500	6.2
603.27820	16.3
604.28577	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	603.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30835	0.9
53.69384	1.0
56.51897	1.0
58.09307	1.2
59.01249	100.0
60.01554	1.3
61.98700	2.6
71.01248	4.7
71.52650	1.8
72.99176	3.6
73.02813	4.0
77.68438	1.1
83.01257	1.7
83.04896	2.8
85.02827	3.9
88.43567	1.2
88.65005	0.9
88.68726	1.1
89.02336	2.3
93.03352	1.6
94.65086	1.0
98.31123	0.9
99.00757	1.2
101.02316	3.0
101.05962	19.7
101.98766	1.0
109.02871	1.4
111.04354	1.0
113.02322	1.1
119.04932	1.3
151.00275	1.2
151.11195	4.4
163.03853	1.3
375.92496	1.2
399.14331	1.6
413.26871	1.6
430.27155	1.3
457.26480	1.5
499.27197	15.6
500.27457	2.6
511.19232	1.6
515.22992	1.2
517.28076	8.9
518.28241	1.5
543.22723	2.1
559.30011	5.9
603.35809	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	603.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.5
57.03309	3.7
59.00961	1.4
59.01248	25.7
61.98692	3.3
65.03843	0.9
67.01765	4.9
68.99689	6.9
69.03325	6.6
69.10078	0.7
69.73399	5.5
70.61709	0.7
71.01260	6.7
72.99171	3.8
73.02805	2.0
74.02325	0.7
75.00743	8.4
78.83416	0.8
79.05408	0.8
81.03288	1.2
83.01237	3.1
83.04887	2.6
85.02812	4.1
85.06413	0.9
87.00764	1.0
89.02286	0.9
90.29498	0.8
91.05397	2.6
93.03319	1.8
93.75324	0.8
95.01254	7.6
95.04900	5.1
96.96813	1.1
96.99181	1.0
97.02821	13.2
97.06473	1.0
99.00742	2.5
99.07990	0.9
101.02322	1.8
101.05959	90.6
102.06298	2.6
107.04893	3.8
108.02072	0.9
109.02820	2.7
109.06474	12.6
111.00799	1.1
111.04411	1.3
111.08031	0.9
113.02309	1.0
113.05962	1.2
119.04945	1.1
121.06488	1.7
122.03629	1.2
123.04379	2.8
123.08002	1.0
124.01511	1.1
125.09640	0.9
127.00273	1.8
127.03935	1.2
133.06448	1.6
135.04413	2.4
135.08041	1.6
136.05205	0.9
137.02364	2.0
137.05988	2.3
139.07553	1.2
143.71153	0.8
145.06543	1.1
147.04475	1.7
147.08055	2.0
149.09711	1.3
151.03836	1.8
153.01848	1.0
153.05446	1.2
153.09108	2.0
157.06468	1.2
161.06113	1.2
162.03107	1.7
163.03931	3.3
163.07535	1.7
165.05435	0.9
171.07968	1.0
171.10158	2.3
173.06015	0.9
175.07538	0.7
177.09079	0.9
181.08620	2.4
185.09557	1.1
187.07532	1.5
187.11157	1.8
189.12720	1.0
191.10606	1.2
203.10701	1.3
205.12437	1.3
209.11829	2.5
211.09607	4.3
211.73242	0.8
213.12779	0.9
217.15671	0.9
221.11649	1.5
231.10133	1.1
239.14439	1.4
241.16034	1.5
243.13579	1.0
256.79257	1.0
257.15457	1.3
267.13928	1.3
283.16971	1.2
298.07761	0.9
308.39929	0.9
323.16214	1.1
335.18689	2.9
345.17096	2.9
347.18524	2.9
359.18622	2.6
367.15424	1.1
371.18497	1.2
385.20071	1.0
387.18002	0.8
389.19702	1.1
397.20160	2.3
399.17957	2.6
399.22159	1.1
401.19681	1.8
403.21112	4.4
411.14185	1.8
413.19769	2.1
415.21347	5.4
425.19543	5.9
427.17633	1.3
431.20609	5.4
432.20599	1.0
443.20767	11.5
444.21054	2.0
459.20090	1.7
459.34793	1.0
469.18857	1.0
473.25192	1.8
487.19696	2.7
499.27008	2.8
515.26453	100.0
516.26868	15.7
519.22076	4.1
527.26532	12.8
528.27075	2.7
541.24286	1.1
543.25989	9.5
544.26678	1.9
571.25385	13.6
572.26172	2.9
585.23395	1.4
603.28192	27.4
603.37787	1.4
604.28217	5.7
604.37073	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	1.9
59.01252	15.5
61.98703	11.0
63.13591	0.8
67.01759	8.7
67.65816	1.0
68.99689	4.9
69.03336	5.0
71.01244	4.5
71.04850	1.2
71.52550	1.7
72.99174	1.7
73.02809	1.7
75.00740	1.0
76.51724	1.0
81.03305	1.7
83.01258	2.2
83.04877	2.6
85.02810	2.9
85.06459	2.7
95.01248	6.8
95.04891	2.4
97.02816	10.3
99.00749	1.5
99.04387	1.0
99.08061	0.9
101.05956	100.0
102.06270	2.9
107.04896	3.0
108.02037	1.6
109.02809	3.7
109.06467	2.6
111.00758	1.5
111.04370	1.2
113.02279	0.9
121.02854	1.1
121.06449	2.0
123.04380	2.4
127.00187	1.2
127.03899	1.8
133.06473	1.7
135.04362	4.1
135.08052	1.4
137.05965	1.8
139.00264	2.2
139.90343	1.1
147.08102	1.6
149.05994	1.4
149.09578	1.3
161.09651	1.3
163.03902	2.8
171.10147	2.9
172.10532	1.5
177.12715	1.9
209.11723	1.4
211.13257	1.9
212.13585	1.4
243.13490	1.2
247.11397	0.9
251.14272	1.4
252.48006	1.0
265.12048	1.1
267.13748	1.7
273.18292	0.9
281.15414	1.2
295.16910	2.1
297.14893	1.8
311.16873	1.1
323.16501	2.9
335.18506	2.3
337.13504	0.9
337.17938	1.9
347.18744	1.3
354.02896	1.0
359.18524	1.4
381.20743	1.8
387.21771	1.1
399.18051	2.5
399.22446	1.3
403.21194	1.6
411.14209	5.0
415.21188	2.3
425.19492	2.9
431.20636	2.3
443.20758	9.6
459.19598	1.4
469.22693	1.1
473.25223	2.1
487.19580	4.5
499.26678	1.9
512.23962	1.2
513.21332	2.6
515.26440	93.5
516.26794	13.8
519.22382	1.1
527.26434	24.5
528.26813	3.0
543.25989	11.5
544.25928	1.7
559.29053	1.6
571.25433	19.6
572.25757	3.1
603.27936	39.5
604.28320	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	603.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.5
57.03309	3.7
59.00961	1.4
59.01248	25.7
61.98692	3.3
65.03843	0.9
67.01765	4.9
68.99689	6.9
69.03325	6.6
69.10078	0.7
69.73399	5.5
70.61709	0.7
71.01260	6.7
72.99171	3.8
73.02805	2.0
74.02325	0.7
75.00743	8.4
78.83416	0.8
79.05408	0.8
81.03288	1.2
83.01237	3.1
83.04887	2.6
85.02812	4.1
85.06413	0.9
87.00764	1.0
89.02286	0.9
90.29498	0.8
91.05397	2.6
93.03319	1.8
93.75324	0.8
95.01254	7.6
95.04900	5.1
96.96813	1.1
96.99181	1.0
97.02821	13.2
97.06473	1.0
99.00742	2.5
99.07990	0.9
101.02322	1.8
101.05959	90.6
102.06298	2.6
107.04893	3.8
108.02072	0.9
109.02820	2.7
109.06474	12.6
111.00799	1.1
111.04411	1.3
111.08031	0.9
113.02309	1.0
113.05962	1.2
119.04945	1.1
121.06488	1.7
122.03629	1.2
123.04379	2.8
123.08002	1.0
124.01511	1.1
125.09640	0.9
127.00273	1.8
127.03935	1.2
133.06448	1.6
135.04413	2.4
135.08041	1.6
136.05205	0.9
137.02364	2.0
137.05988	2.3
139.07553	1.2
143.71153	0.8
145.06543	1.1
147.04475	1.7
147.08055	2.0
149.09711	1.3
151.03836	1.8
153.01848	1.0
153.05446	1.2
153.09108	2.0
157.06468	1.2
161.06113	1.2
162.03107	1.7
163.03931	3.3
163.07535	1.7
165.05435	0.9
171.07968	1.0
171.10158	2.3
173.06015	0.9
175.07538	0.7
177.09079	0.9
181.08620	2.4
185.09557	1.1
187.07532	1.5
187.11157	1.8
189.12720	1.0
191.10606	1.2
203.10701	1.3
205.12437	1.3
209.11829	2.5
211.09607	4.3
211.73242	0.8
213.12779	0.9
217.15671	0.9
221.11649	1.5
231.10133	1.1
239.14439	1.4
241.16034	1.5
243.13579	1.0
256.79257	1.0
257.15457	1.3
267.13928	1.3
283.16971	1.2
298.07761	0.9
308.39929	0.9
323.16214	1.1
335.18689	2.9
345.17096	2.9
347.18524	2.9
359.18622	2.6
367.15424	1.1
371.18497	1.2
385.20071	1.0
387.18002	0.8
389.19702	1.1
397.20160	2.3
399.17957	2.6
399.22159	1.1
401.19681	1.8
403.21112	4.4
411.14185	1.8
413.19769	2.1
415.21347	5.4
425.19543	5.9
427.17633	1.3
431.20609	5.4
432.20599	1.0
443.20767	11.5
444.21054	2.0
459.20090	1.7
459.34793	1.0
469.18857	1.0
473.25192	1.8
487.19696	2.7
499.27008	2.8
515.26453	100.0
516.26868	15.7
519.22076	4.1
527.26532	12.8
528.27075	2.7
541.24286	1.1
543.25989	9.5
544.26678	1.9
571.25385	13.6
572.26172	2.9
585.23395	1.4
603.28192	27.4
603.37787	1.4
604.28217	5.7
604.37073	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96539	1.6
51.24331	1.6
55.01755	2.7
57.03320	10.2
58.00477	2.2
59.01250	100.0
60.99145	1.8
61.98703	1.8
67.01788	8.5
69.03318	2.3
71.01250	47.7
72.99186	5.6
73.02818	11.9
75.00732	2.6
81.03323	2.5
83.01284	9.2
85.02824	29.2
85.72156	1.9
87.00742	7.5
87.77503	1.9
89.02326	10.8
93.03335	35.4
94.03677	2.0
95.01259	3.8
95.55641	1.9
97.02811	3.2
98.95418	2.1
99.00764	25.0
99.92459	5.0
101.02325	25.8
107.04889	3.8
108.02083	9.9
109.02827	8.1
111.00760	55.5
111.04395	5.3
113.02331	24.7
113.99464	33.4
114.00212	2.9
115.00208	3.2
115.91942	11.2
116.92741	40.2
117.92682	2.7
119.03375	6.2
119.04908	16.1
121.02823	6.7
124.01513	2.3
125.02342	3.0
129.01837	10.7
133.77634	1.7
135.00777	2.1
137.02391	2.7
143.03455	2.0
150.03000	1.9
152.01044	15.4
153.01811	8.4
154.99768	6.3
155.03403	2.3
156.00549	22.3
161.04482	9.0
163.03894	10.5
173.00830	23.1
173.04514	9.3
174.01614	11.4
179.05492	4.1
190.78175	1.7
191.05545	26.8
195.13847	12.9
229.67047	1.9
241.14404	56.2
242.14769	3.0
265.14450	9.6
266.20868	1.8
335.13644	2.7
361.11441	2.1
399.19739	3.1
411.20157	6.9
413.21921	3.5
441.21228	26.9
442.21674	3.7
443.22961	2.1
449.17834	2.7
457.20749	2.9
459.22153	15.1
460.22012	3.5
499.21823	74.9
500.22302	9.3
511.22003	4.1
513.23419	2.8
517.16095	2.4
541.23120	2.5
543.27869	24.9
544.28601	2.0
559.18475	3.1
561.29242	9.3
603.17114	44.2
604.18372	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	603.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01515	0.5
57.03316	1.0
59.01250	9.8
61.98694	1.5
69.03300	0.8
69.28738	0.5
69.61065	2.3
71.01250	7.0
72.99192	0.6
73.02816	2.7
81.03314	1.6
81.33186	0.4
83.01241	1.3
85.02811	4.7
88.31281	0.5
89.02315	2.0
93.03336	2.8
95.01260	2.2
96.98432	0.5
99.00771	0.9
99.04420	0.6
101.02322	4.3
103.03881	1.8
106.04131	2.5
107.04920	1.3
108.02052	46.6
109.02849	21.6
113.02339	3.4
119.03400	0.9
119.04915	1.5
121.02840	2.9
123.00751	1.3
123.04441	1.3
125.02328	1.0
128.03395	1.1
131.03427	0.6
132.05606	0.4
133.02901	0.6
137.02328	1.9
138.03140	0.7
143.03448	0.5
147.08040	2.6
149.02344	1.5
150.03093	1.3
151.00308	0.7
151.03874	1.8
152.01057	61.0
153.01848	15.2
159.08049	0.7
161.02415	0.5
161.04465	0.8
161.09630	6.0
163.03903	2.7
165.01797	1.5
173.04466	0.6
175.03920	0.6
175.07431	0.6
181.01366	0.7
181.04942	0.6
191.07056	3.1
193.04962	0.6
203.07051	1.3
204.07959	0.9
205.08662	5.7
219.06667	1.2
225.12868	0.8
265.09326	4.0
269.04358	0.6
287.12915	1.7
297.05957	0.7
305.13956	5.7
315.07242	13.2
316.07504	1.0
335.11346	1.1
349.13193	0.6
356.17285	0.6
399.16336	1.0
441.13324	0.5
441.17935	4.8
449.18103	1.0
461.10385	0.9
511.18307	1.0
543.28284	1.0
548.90411	0.5
559.21790	0.9
561.29584	1.1
585.19482	2.2
603.20819	100.0
604.21185	15.9
604.30896	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29404	0.8
53.47979	0.9
55.01749	1.1
57.03322	2.0
58.00023	0.9
58.00468	1.0
59.01249	43.5
61.41710	0.8
61.98688	3.7
69.39463	7.0
71.01254	21.7
72.99178	1.4
73.02809	8.3
75.00719	0.9
81.03338	1.4
83.01249	3.3
83.04919	1.1
85.02814	12.6
87.00739	2.6
89.02323	5.4
91.01739	1.6
93.03330	5.4
95.01260	3.4
96.95914	1.2
97.02766	0.8
97.44717	0.8
98.19801	1.8
99.00746	3.1
101.02322	11.7
103.03904	1.6
106.04137	2.5
106.50424	0.8
107.04913	2.1
108.02048	40.6
109.02847	18.6
111.00769	2.7
113.02334	12.3
115.03829	1.2
115.92007	1.1
116.92735	2.4
117.92716	1.3
118.92542	1.2
119.03364	2.3
119.04884	2.7
121.02839	3.6
123.00754	1.9
123.04386	1.9
125.02336	3.3
127.86432	0.8
129.01917	0.9
134.03592	1.1
135.00742	2.5
135.04398	1.6
137.02325	4.6
143.03383	1.5
145.02856	1.3
147.07999	1.1
149.02307	1.3
150.03142	1.5
151.00269	1.4
151.03915	2.4
152.01056	53.8
153.01866	18.0
159.02873	1.3
159.08099	0.9
160.03958	2.7
161.04501	4.2
163.03920	1.7
173.09628	5.0
175.03883	1.0
175.11179	1.6
179.03381	1.0
179.05434	0.9
183.08043	1.3
190.02614	1.5
191.07018	2.2
193.04927	1.5
195.13824	1.1
205.05043	1.7
217.05057	1.0
217.08603	6.9
229.08638	1.7
239.12843	1.1
241.14410	3.0
253.14424	1.6
254.69611	1.0
265.09290	2.7
267.10568	0.8
268.03842	1.4
269.04486	1.6
285.04050	1.9
289.14465	1.0
290.90866	0.9
305.13956	8.7
315.07184	12.4
335.11188	1.0
396.55835	0.9
399.23904	1.2
423.72897	0.9
447.09656	0.9
449.18289	1.9
499.28741	1.9
513.25006	1.0
543.28113	23.0
544.28375	1.7
559.22137	1.3
561.28973	7.9
562.29852	1.2
603.20782	100.0
604.21082	16.3
604.29675	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.7
56.56070	0.4
57.03316	0.9
58.00447	0.5
59.01248	15.5
61.98706	3.5
65.00218	0.7
65.96416	0.4
71.01249	9.3
71.01617	0.7
72.99153	0.9
73.02804	2.6
75.00763	0.7
80.96355	0.7
81.03284	0.4
83.01270	1.6
83.99023	0.5
85.02813	5.4
85.99958	0.9
87.00736	2.2
89.01850	0.5
89.02309	3.3
89.03836	0.7
91.01740	0.8
91.05406	1.3
92.96201	0.4
93.03337	2.0
95.01244	0.5
97.02784	0.6
99.00747	3.0
101.02316	4.7
101.51813	0.5
107.04881	0.8
108.57057	0.5
113.02306	3.9
117.03352	0.9
119.01230	2.3
119.03387	1.7
119.04893	1.6
121.02834	22.9
122.03200	0.6
123.04371	1.0
125.02310	0.6
127.96841	0.4
132.02046	2.1
134.03622	0.9
135.04404	1.7
137.02310	0.6
143.03372	0.8
147.00790	2.4
147.04414	7.0
148.01537	0.6
149.02336	95.5
150.02705	2.8
151.03935	0.6
152.01027	0.9
153.01797	0.7
161.02303	0.7
161.04460	1.6
162.03122	1.0
163.03900	3.2
164.04691	68.4
165.01830	1.0
165.05020	2.6
166.02605	1.6
175.00279	11.7
176.00996	0.6
177.01862	0.5
177.05521	1.4
179.03355	1.1
179.05524	1.4
179.07048	5.8
183.06560	1.2
190.02623	33.3
191.03279	2.4
192.04123	0.6
193.01311	1.0
205.04990	38.6
206.05573	3.7
207.02885	0.9
207.06528	0.7
208.03696	1.9
221.08115	3.5
222.05307	4.6
223.06052	100.0
224.06354	4.6
237.07620	0.5
247.06047	0.6
250.04686	1.0
265.07138	7.9
284.23532	0.5
295.08170	1.2
309.09683	0.7
311.07959	0.6
325.09216	7.1
326.09644	0.6
340.13718	0.5
355.24802	1.4
397.15033	12.4
398.15469	1.2
463.72586	0.5
544.19238	1.2
559.21777	41.4
560.22076	6.1
584.34937	0.5
603.20557	11.1
603.34906	1.0
604.21094	1.5
610.96063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.3
58.00499	0.4
59.01247	27.0
61.98726	0.9
69.35851	1.9
69.36262	0.7
71.01249	14.4
72.99220	1.2
73.02814	2.0
75.00752	0.5
75.19238	0.3
78.95811	0.6
81.03350	0.4
83.01260	3.0
85.02818	17.0
86.03204	0.4
86.20800	0.3
87.00742	1.7
89.02310	14.1
93.03376	1.3
95.01260	1.4
96.95924	0.7
99.00778	0.5
99.04382	0.7
101.02314	11.8
101.05999	0.3
103.00303	0.5
103.03885	25.9
104.04226	0.4
104.88497	0.4
107.04904	4.1
107.05514	0.3
108.02090	1.1
109.02870	1.2
111.00784	0.8
113.02320	6.2
117.05450	0.8
119.03381	6.1
119.04130	0.5
119.04926	0.5
121.02893	0.5
123.04464	0.6
124.01622	0.4
125.02382	1.2
127.03898	1.4
131.03441	0.7
135.04507	0.4
137.02359	1.9
138.03157	0.6
143.03452	0.9
143.54564	0.3
145.04979	1.1
149.02342	0.4
150.03154	0.3
152.01082	0.9
152.99451	0.4
153.01842	0.8
157.04996	0.4
159.02983	0.3
161.04514	1.8
161.05672	0.3
163.03943	0.5
164.04718	0.4
165.01857	0.5
166.02609	0.8
167.03366	0.3
179.03343	0.6
179.05518	0.9
180.04248	0.8
187.02478	0.4
190.02649	0.8
205.05035	0.8
206.06078	0.3
208.03749	0.4
217.04996	0.4
247.08182	1.1
265.09256	100.0
266.09598	5.4
289.09225	2.2
315.07297	0.4
333.08252	23.6
334.08453	1.3
337.09210	0.6
395.17017	0.4
397.17435	0.7
399.16406	1.4
441.17691	2.7
453.17230	0.3
471.17993	0.4
483.18704	13.1
484.18683	1.8
513.19751	3.8
514.19836	0.6
585.20062	0.8
603.19147	14.2
604.20062	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.4
57.03320	4.9
58.00460	0.9
59.01248	47.9
60.01607	0.5
61.98683	0.9
71.00849	0.7
71.01249	15.2
72.99187	1.1
73.02810	2.5
81.03348	0.6
83.01245	2.4
85.02821	16.6
89.02313	12.7
95.01258	1.3
97.02824	0.5
99.00742	1.0
101.02318	11.6
103.00262	0.7
103.03882	25.9
113.02330	6.9
115.03814	0.4
117.05434	0.4
119.03385	5.3
119.04867	0.5
121.02794	0.9
123.08048	0.9
125.02378	0.4
127.03883	1.7
137.02460	0.5
137.09644	0.6
139.00201	0.5
143.03380	1.0
145.04956	1.3
149.09604	0.9
152.01144	0.4
153.09145	0.9
161.04468	2.8
165.12712	0.6
177.12811	0.8
179.05511	1.0
187.54491	0.4
193.12090	0.5
195.13817	6.0
211.13177	0.4
217.73589	0.5
229.69821	0.5
233.10233	3.0
239.12852	8.4
247.08081	1.1
255.12271	1.2
263.12918	4.3
265.09268	100.0
266.09631	4.0
275.11270	3.8
289.09265	2.4
295.10303	4.5
319.10248	0.5
321.74347	0.5
333.08252	24.2
334.08517	1.6
337.11423	3.5
363.09299	1.6
603.18951	10.9
604.19550	1.6
604.29242	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.1
57.03312	4.7
58.00461	1.0
59.01248	100.0
60.01580	2.3
60.71692	0.9
61.98701	2.0
69.03333	1.6
69.34059	8.7
71.01250	38.7
72.01585	1.2
72.99173	3.3
73.02816	18.2
75.00761	1.1
83.01270	6.8
83.04897	1.2
85.02816	14.9
85.99973	1.0
87.00744	3.2
88.98663	1.1
89.02316	14.7
93.03327	3.1
94.02779	1.0
95.01258	4.2
96.95930	1.1
97.02816	2.3
99.00755	3.2
101.02317	22.9
101.05994	1.0
103.03879	1.6
106.04107	2.6
106.24602	0.9
107.04904	3.3
108.02048	24.2
109.02268	0.9
109.02847	13.8
111.00770	2.2
113.02319	18.7
116.92694	2.1
119.03401	7.8
119.04893	11.9
120.05251	1.2
121.02832	2.8
121.06449	1.6
122.77689	0.9
123.00732	1.8
125.02299	3.0
126.65392	0.9
129.01793	1.1
134.03781	0.9
135.04395	2.2
135.98265	1.3
137.02318	2.1
143.03397	2.8
147.04420	1.1
147.08083	1.3
149.02269	1.9
149.04420	1.3
149.05945	2.0
150.24213	1.0
151.00201	1.6
151.03865	2.2
152.01048	32.2
153.01826	10.4
159.08107	1.8
161.04456	7.2
161.05614	1.0
163.03911	1.9
164.04654	1.0
165.01810	1.6
173.05963	2.4
175.11295	1.4
179.05492	2.5
190.02704	1.4
190.04906	0.9
191.03354	1.3
191.06998	2.3
191.10728	1.8
193.04991	1.2
195.13821	2.8
203.07045	1.4
217.05014	7.6
217.08609	1.4
239.12845	3.0
240.13129	2.1
253.05058	6.8
265.09183	1.1
269.04617	1.5
272.52240	1.0
285.03918	1.2
293.12170	1.9
305.13910	9.7
315.07208	6.6
337.10806	16.0
338.11090	2.0
381.09579	1.5
381.22757	1.9
399.23895	3.7
499.29489	1.9
507.26843	1.1
543.27899	32.1
544.28381	1.6
559.17816	12.2
559.31018	2.4
560.17896	1.4
561.29095	28.2
562.29285	2.1
603.20728	53.3
603.30200	2.7
604.21088	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	603.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.2
57.03315	5.3
59.01250	100.0
60.01563	3.2
61.98689	6.2
66.03237	1.9
71.01250	45.5
71.52629	2.2
72.99185	3.0
73.02814	18.1
83.01253	10.0
83.04875	2.4
83.30840	2.1
85.02821	27.3
87.00728	5.3
89.02311	16.0
91.01744	2.7
93.03324	11.4
95.01221	4.4
97.02824	4.0
99.00720	4.9
99.04401	2.2
101.02322	25.3
106.04107	2.6
107.04897	7.2
108.02050	45.9
109.02840	26.4
111.00768	4.0
113.02335	25.6
119.03377	5.6
119.04926	17.7
121.02820	5.2
123.04351	2.8
125.02279	3.9
125.06000	3.0
135.00746	4.1
135.04382	4.8
137.02316	8.0
143.03374	3.8
145.02840	3.6
149.02376	2.2
150.03087	3.0
151.03900	4.3
152.01051	52.6
153.01831	22.3
161.04509	9.6
161.05791	2.5
161.09650	3.6
163.00232	3.0
163.03902	4.8
179.05563	3.2
181.04935	3.5
187.11162	2.9
190.02632	4.2
191.03403	2.4
191.07047	2.7
205.04982	5.3
205.12262	2.6
206.12608	2.7
217.04970	4.4
235.06076	6.6
253.08679	2.4
259.06201	2.7
269.04504	3.2
298.03226	2.6
305.13828	9.9
315.07169	8.3
337.10931	2.3
355.08041	3.5
355.11890	36.8
355.24716	2.7
356.12070	4.4
397.12628	2.4
399.23837	3.9
459.27805	2.0
469.24786	2.5
478.28073	2.4
499.28879	4.2
543.28052	32.0
544.28467	2.9
559.21979	3.1
561.29163	27.0
603.20654	98.1
604.20972	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	601.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.4
60.14185	0.5
61.98687	1.0
70.86279	1.2
70.86620	0.5
71.68737	0.5
84.63659	0.5
87.00746	100.0
88.00271	16.3
88.00848	0.7
88.01111	1.3
88.03915	0.8
113.02312	0.6
123.28214	0.6
130.79025	0.5
161.04486	0.6
225.62431	0.5
228.17485	0.5
277.21722	7.7
323.09848	0.7
427.81454	0.6
602.19757	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65096	4.7
59.01253	7.9
71.51667	6.1
138.03088	11.0
153.05437	7.6
163.03882	8.1
177.05428	6.6
178.06326	8.8
191.03455	8.8
194.53801	5.6
203.03421	22.3
218.05789	18.9
221.04471	17.9
233.08115	16.8
236.06856	36.4
246.30750	5.3
251.06740	8.2
251.09207	100.0
252.09543	8.3
295.08173	22.1
296.73233	5.7
312.58148	5.4
499.14816	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	601.323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49097	0.3
57.03312	0.5
57.51117	0.3
58.00471	0.4
59.01248	100.0
60.01574	0.9
61.98705	1.7
69.40578	2.3
71.01253	4.5
72.99165	0.3
73.02818	2.0
78.95786	1.0
83.01274	0.9
85.02825	2.1
87.00735	0.4
89.02306	1.9
95.01302	0.5
96.95886	0.3
98.20579	0.6
99.00762	0.3
101.02321	3.6
101.05963	2.1
108.02025	0.6
109.02861	0.5
113.02331	1.4
115.07552	0.3
119.03405	0.6
119.04922	0.8
121.02853	0.3
137.02356	0.4
143.03406	0.5
151.00247	0.5
152.99477	1.7
157.95157	0.3
161.04532	0.4
163.04015	0.5
171.10233	0.7
211.13324	0.8
313.31717	0.3
353.10410	0.7
353.23279	0.6
451.26974	1.5
469.28229	1.9
481.28549	0.7
493.28186	1.0
511.29153	2.2
601.18811	0.6
601.34485	2.3
602.35498	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	601.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01590	0.8
69.25935	2.0
69.26365	2.2
87.04402	1.0
89.46531	0.4
98.20232	1.9
128.36844	0.5
189.16290	0.4
274.10278	0.4
541.24573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01587	1.0
61.98698	0.6
68.51170	0.2
71.01266	0.2
73.02833	0.2
77.74648	0.2
80.47690	0.1
87.04382	4.1
87.04900	0.2
108.09328	0.2
171.10152	0.8
172.76990	0.2
181.42426	0.2
211.13332	0.7
229.63931	0.2
301.18030	0.2
305.81345	0.2
317.65314	0.2
351.12225	0.2
395.15182	0.3
417.73947	0.2
471.19476	0.2
511.23688	0.3
513.48383	0.2
541.24445	1.8
542.24945	0.2
601.22900	0.2
601.33624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65160	0.9
57.03310	2.0
59.01251	7.4
61.98701	6.6
68.77791	1.0
69.55895	1.1
69.63770	5.9
70.79545	1.0
71.01239	2.0
73.02832	1.3
87.76204	1.0
92.04927	2.9
97.06465	3.3
101.05965	5.4
104.20527	0.9
119.79674	1.0
121.02837	4.6
123.08042	1.6
125.09614	21.9
131.03683	1.9
134.03612	14.2
135.04420	1.6
140.13220	1.0
144.04440	11.8
145.02829	1.0
147.04414	3.0
155.07333	1.9
157.06470	1.5
158.03679	6.2
158.06033	1.8
159.04327	1.2
160.05162	3.0
161.05968	2.4
166.02628	9.9
171.04434	12.9
171.10178	3.5
173.06012	15.1
175.07571	6.6
176.05408	1.3
180.08035	2.0
184.05124	1.7
185.06012	5.4
187.09686	18.9
188.04803	1.9
188.09953	1.3
189.05527	1.7
194.06012	1.4
196.07568	2.2
197.05942	1.2
198.09190	14.7
201.05475	3.1
203.07085	100.0
204.07454	5.6
208.07602	1.1
211.13362	1.4
218.06076	1.4
225.05562	1.5
227.07088	1.8
246.05589	5.4
257.87485	1.1
261.13391	2.4
262.05026	2.1
264.06653	33.9
265.07245	2.7
277.07452	1.7
287.08249	5.4
290.08069	1.0
302.08316	1.2
325.57562	1.1
328.09897	2.2
330.11191	2.0
346.10931	4.7
358.11029	2.3
369.79889	1.1
371.15283	1.3
379.18207	1.3
384.15656	1.1
397.19186	5.1
401.16403	2.3
402.16956	3.3
431.22913	5.0
435.92316	1.2
455.13342	1.3
461.14606	1.3
471.31223	1.5
473.14737	1.2
491.16299	7.2
553.35236	1.4
571.26544	1.5
583.25507	2.3
601.26318	9.0
601.32678	12.1
602.26270	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	601.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69892	0.9
57.03317	1.5
59.01250	22.4
61.98698	5.3
69.03325	1.0
70.73666	1.3
70.74001	1.9
71.01246	6.4
72.99173	1.1
73.02814	2.5
78.95756	1.1
83.01247	0.9
85.02808	4.6
87.00787	1.1
87.04398	0.9
88.23493	0.8
89.02332	1.6
92.02548	2.4
93.03335	24.3
95.01263	14.7
96.95915	1.0
97.02843	1.5
99.00745	1.9
101.02312	4.7
103.03868	1.0
106.00479	1.3
108.02040	20.2
111.00858	0.9
113.02331	3.7
119.04922	2.2
121.02844	19.0
123.04513	1.2
135.02904	1.2
136.01558	100.0
137.02411	5.6
139.03822	1.4
143.03488	1.0
147.08049	4.5
149.02353	4.8
149.06003	1.1
150.03081	2.0
152.99448	1.7
155.40332	0.9
161.04503	1.4
163.03864	1.0
171.10168	14.6
177.01921	1.8
177.09116	31.0
178.02646	1.1
179.03409	3.8
191.07101	0.9
205.05066	1.2
209.04340	1.0
211.13338	13.0
212.13548	1.0
221.08133	93.8
222.08482	5.0
235.09705	2.6
239.05634	2.1
253.09364	1.4
263.09290	1.6
297.07199	1.0
341.00250	1.2
349.97406	1.0
357.99731	0.9
439.17697	2.9
473.18115	10.5
474.18668	1.9
527.22150	1.2
601.22766	20.6
601.31201	1.6
602.22858	3.0
602.35992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	35.3
61.98691	10.4
66.23730	3.5
69.66349	3.6
72.99151	4.3
73.02827	5.7
74.19644	3.3
75.69383	3.9
79.95635	4.9
101.05949	16.7
121.02839	7.9
126.89836	4.4
134.03601	12.9
135.04297	4.0
144.04419	10.8
147.04399	4.9
166.02638	9.7
171.04414	14.1
171.10117	19.6
173.06010	10.9
175.07588	5.8
198.09154	17.1
203.07068	62.0
211.13335	14.2
246.05499	10.9
264.03989	7.8
264.06628	100.0
270.03909	4.9
287.08185	8.3
328.09634	6.1
333.65784	4.5
334.60123	4.4
346.10760	6.1
393.76688	4.4
491.16333	21.9
601.26282	8.3
601.34155	6.8
615.04553	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	601.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77783	1.3
52.67659	1.2
53.65371	1.4
55.01736	1.3
55.94143	1.2
57.03317	6.6
57.73403	1.3
59.01249	100.0
61.98691	5.2
71.01254	25.6
72.99190	3.3
73.02807	5.8
83.01247	3.9
85.02822	28.7
86.03175	2.2
87.00740	3.2
89.01855	1.7
89.02298	10.1
93.03308	2.8
95.01252	2.7
95.04917	2.1
96.95876	1.8
98.19778	2.8
99.04375	2.4
101.02324	15.1
103.00251	3.4
103.03200	2.8
103.03887	44.7
106.04103	4.1
107.04919	2.2
108.02052	2.1
109.82001	1.4
113.02328	8.6
119.03394	4.4
119.04948	3.7
121.02856	3.3
122.05961	1.5
123.04407	26.2
125.54190	1.3
133.06473	1.6
135.04376	2.9
145.04973	2.4
148.08836	2.8
149.02351	1.7
152.01080	2.2
160.36572	1.3
161.04495	2.3
161.13226	3.6
175.11200	3.5
187.11284	6.7
203.14343	4.6
205.12270	16.7
206.96729	1.4
227.14288	1.9
245.15302	2.3
247.13435	3.1
249.11162	2.1
260.21954	1.3
265.09268	65.6
266.09665	3.6
267.95673	1.5
289.14447	14.4
309.13107	1.7
411.16348	1.8
433.18631	5.8
439.17596	4.0
453.21289	88.5
454.21594	11.0
471.18472	2.3
481.16998	2.0
481.28265	1.6
497.20255	20.2
515.21100	7.0
557.14514	2.6
557.22424	33.7
557.29279	1.7
558.22705	4.3
601.22961	35.5
601.31842	2.7
602.23309	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	601.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70461	2.0
57.03311	6.4
59.01247	100.0
61.98667	3.1
68.58260	2.8
69.32037	4.5
69.32426	20.6
71.01254	21.4
73.02828	4.4
85.02815	22.8
87.00735	2.3
87.60107	2.3
89.02309	14.1
96.95856	4.3
99.00786	2.9
101.02299	11.3
103.03890	37.0
107.10458	2.5
108.02036	4.6
109.45100	2.4
113.02334	7.8
119.03333	5.5
119.04880	3.7
123.04397	8.7
149.02289	4.7
152.01021	3.9
187.11234	4.9
191.96767	3.0
203.14241	2.6
205.12286	11.2
265.09235	55.3
266.09677	2.8
353.23163	4.8
453.21283	84.6
454.21503	10.7
471.18649	2.8
472.26013	2.5
497.20197	16.4
514.71161	2.9
514.90125	2.4
515.21143	6.1
520.41797	2.5
557.22418	33.3
558.22906	3.8
601.23669	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	601.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39325	0.9
57.03323	8.9
59.01250	18.0
61.59343	0.8
61.98710	2.6
65.59585	0.8
69.03345	1.2
71.01254	12.7
71.52421	0.9
72.99173	1.0
73.02823	4.4
74.98980	1.3
75.00780	1.1
80.96375	1.1
81.03342	2.3
83.01281	2.3
83.04887	1.5
85.02821	7.0
87.00759	2.0
89.02312	2.9
93.03339	1.8
95.01226	1.4
95.04910	3.0
96.95924	2.9
97.02831	3.7
99.00761	1.3
101.02321	11.0
103.38961	1.1
107.04904	1.7
108.02059	2.4
109.02848	1.7
109.06459	6.0
111.04430	2.0
113.02326	4.5
115.03909	5.7
119.04897	1.9
121.02840	2.2
122.03585	1.2
123.04437	1.4
123.08002	1.7
125.02336	2.7
135.04379	1.4
135.08052	6.2
137.02342	3.4
137.05972	1.8
137.09625	3.5
138.03137	1.6
138.06760	28.1
139.03923	6.3
149.02318	1.0
150.03085	1.2
151.03894	1.2
151.07545	1.0
152.01067	2.8
152.08307	1.5
153.09116	67.4
154.09465	2.9
160.03917	2.7
161.04478	3.6
163.03995	1.5
175.11165	2.5
176.72145	0.9
177.09079	1.7
183.13792	2.8
193.12283	9.7
205.05104	2.0
211.13335	26.6
212.13708	1.4
233.10222	1.5
255.12350	100.0
256.12738	5.4
277.09198	6.4
279.12378	24.9
280.12698	1.2
281.06699	2.1
301.09244	9.8
319.10443	4.3
549.70087	1.0
570.38989	1.1
601.20844	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	601.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	8.9
59.01250	100.0
60.99181	3.0
61.98687	4.2
66.02477	1.8
69.28167	10.6
69.28600	7.9
71.01254	26.6
72.99171	2.6
73.02830	9.9
83.01219	3.2
85.02815	26.9
85.39496	1.9
87.00729	2.5
87.04393	10.3
88.98678	24.9
89.02325	16.8
93.03352	3.7
96.95880	5.8
101.02324	17.3
103.03881	39.3
108.02048	5.8
109.02814	3.4
111.00690	2.7
112.69518	2.0
113.02325	14.6
116.92735	5.5
119.03345	6.4
119.04909	5.4
121.02814	6.4
123.04419	2.3
125.02299	3.6
137.02287	2.8
137.09570	3.7
149.04410	2.3
149.09593	2.7
151.00189	3.3
152.01030	9.3
155.10606	2.0
161.04485	4.3
161.13211	4.3
163.03931	2.5
187.11159	4.3
190.02654	2.0
195.13799	10.5
203.14317	2.4
205.05061	2.5
205.12254	14.8
211.07779	2.7
223.05992	2.1
235.09607	4.9
239.12805	12.4
247.08148	2.5
263.12927	3.6
265.06467	3.4
265.09259	56.6
266.09631	3.2
269.04538	2.9
285.04022	6.1
310.41739	2.1
353.23257	19.8
355.11667	5.7
356.47824	2.1
372.87286	2.0
453.21228	74.0
454.21381	8.9
486.29706	2.3
497.20163	11.8
557.22156	23.7
557.28766	2.2
558.22968	2.3
598.71552	2.1
601.18408	11.4
601.33136	3.7
602.18823	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	601.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	4.4
58.00443	2.8
59.01248	89.0
61.98679	2.0
69.26106	6.9
69.26529	12.3
71.01251	25.5
72.99157	2.3
73.02789	3.9
83.01223	2.5
85.02827	30.6
87.00695	2.3
89.02309	19.8
101.02318	22.7
103.03890	52.3
108.02038	3.3
113.02345	14.1
115.91969	2.5
116.92706	6.4
119.03363	7.6
122.45338	1.8
150.51147	2.4
152.01068	3.4
161.04466	2.0
161.13206	3.5
187.11206	8.8
197.09756	2.1
203.14253	3.0
205.04919	4.2
205.12241	14.1
223.05971	4.2
223.13528	2.0
241.14391	6.3
241.88391	1.7
247.08223	2.6
247.13292	4.5
262.77017	1.8
265.09280	95.3
266.09726	4.2
285.03970	2.1
295.08197	2.1
303.35648	2.0
325.09265	2.0
453.21274	100.0
454.21600	13.0
497.20279	19.9
515.21252	6.6
557.22314	42.9
558.22729	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	601.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	44.9
61.98696	5.0
65.00177	3.2
68.99693	0.7
71.01248	3.9
76.86502	0.9
83.02022	0.9
89.02320	1.0
93.03327	6.5
101.02319	1.2
107.04900	4.3
113.02277	1.5
119.04907	51.8
120.05206	1.2
121.02800	1.4
129.06993	2.0
131.04884	5.5
143.04906	1.0
145.02777	1.6
149.05980	8.5
171.10175	9.0
172.05182	1.4
173.06010	8.7
175.03922	3.4
182.92432	0.7
191.07045	1.0
211.13335	8.6
217.04996	39.0
217.64690	0.8
218.05315	3.2
223.13321	1.3
229.05046	1.1
231.06543	3.3
243.06487	0.9
252.59323	0.8
307.33911	0.8
335.09091	1.0
336.10217	0.9
337.10791	100.0
338.11148	11.6
341.38333	0.8
438.07602	1.0
515.56219	0.8
541.17108	17.6
542.17877	1.9
601.22003	1.1
601.34644	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72755	0.7
59.00953	1.4
59.01244	18.8
61.98713	1.0
65.45191	0.7
67.01756	1.6
70.31913	1.1
70.32268	2.4
71.01244	7.9
72.99187	1.1
73.02804	1.3
81.03333	3.5
83.01258	1.5
83.04895	2.5
84.21375	0.6
85.02808	3.0
87.00749	2.3
89.02312	2.5
93.03330	27.7
95.01218	1.1
96.95895	1.0
97.02771	1.2
98.20499	0.9
99.00684	1.2
101.02322	3.9
107.04881	1.3
109.02820	2.8
111.00755	2.2
111.04414	4.4
111.05035	0.7
113.02300	2.1
119.01250	2.8
119.03354	1.2
119.04789	0.7
121.02824	4.5
123.92052	0.9
127.03899	2.0
135.04413	1.8
136.98917	0.8
137.02335	28.1
138.02695	1.5
144.35571	0.8
145.02744	0.8
147.00726	1.8
147.04385	2.2
149.02338	25.7
149.05893	0.7
150.03023	2.0
152.01042	1.6
153.09016	0.9
155.03407	19.2
155.11891	0.7
163.03918	3.6
164.04692	25.1
165.01831	0.8
165.05260	2.2
169.05006	1.0
173.04399	3.5
175.00267	16.1
176.00966	2.4
177.01759	0.9
177.05496	1.5
179.03574	0.9
179.07028	4.4
188.04674	1.2
190.02634	49.9
191.03368	9.4
192.04103	0.8
194.02008	0.8
203.07127	0.9
205.04996	60.1
206.05655	8.6
207.02904	3.2
208.03656	3.2
209.04459	1.3
221.08156	9.8
223.06064	36.0
224.06467	1.9
235.02573	1.3
236.32632	0.7
237.07564	2.8
250.04768	2.7
265.07132	22.5
266.07352	0.9
295.08304	4.8
325.09250	6.4
335.09814	15.4
336.09668	1.0
353.10971	1.4
358.35016	0.8
367.10428	2.2
385.11581	1.1
395.11847	2.4
437.90662	0.7
439.16080	1.1
541.15576	100.0
542.15820	13.2
559.16638	4.3
560.17242	0.9
601.17407	11.8
602.18195	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	601.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73016	1.0
59.01247	21.9
61.98688	3.9
65.03839	1.7
65.24146	1.0
67.01751	2.2
69.03313	1.4
71.01249	8.5
71.52437	1.2
72.99148	1.5
80.81335	1.0
80.96317	1.1
81.03334	1.9
83.01228	2.3
83.04872	2.9
84.19970	1.0
84.90747	1.0
85.02827	3.0
87.00752	2.6
89.02312	4.2
93.03330	59.3
94.03655	1.4
95.01219	1.0
96.95886	7.7
101.02299	3.8
102.23514	1.0
108.02039	1.5
109.02787	2.5
111.00734	3.2
111.04385	4.7
113.02318	3.6
115.00288	1.2
119.03383	1.7
119.04877	1.4
120.99577	5.1
121.02827	4.1
127.03892	1.8
134.03624	1.1
135.04404	2.7
137.02335	67.8
138.02634	2.3
147.00778	1.2
147.04375	1.8
149.01236	1.6
149.02351	20.4
150.03130	2.6
153.09140	1.4
155.02206	1.8
155.03406	25.3
160.03978	1.7
163.03931	2.6
164.03455	1.9
164.04704	19.4
165.01822	1.7
165.05370	2.2
173.04419	5.3
175.00281	15.7
176.01007	5.4
177.05428	2.2
179.06985	3.4
190.02634	49.6
191.03340	11.2
191.05344	1.6
191.12735	1.3
205.04988	51.5
206.05682	8.7
207.02835	2.5
221.08145	5.8
223.06062	32.1
237.07539	3.3
250.04836	3.3
255.12163	1.1
256.87326	1.1
265.07162	18.5
267.63239	1.1
275.55865	1.1
295.08188	4.6
323.11478	2.7
325.09164	4.4
335.09775	13.6
353.10941	1.5
367.10178	1.6
385.10919	1.3
395.11914	3.4
427.16040	2.0
438.17694	1.9
439.17697	4.0
485.16229	1.4
526.12427	1.2
541.15576	100.0
542.15955	13.0
559.16705	7.1
574.07867	1.2
601.17450	26.7
601.26184	2.3
602.17932	3.8
610.51709	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	600.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09625	0.9
54.78145	0.8
59.00952	1.4
59.01248	22.4
61.98701	100.0
71.01258	7.2
73.02817	1.0
78.26841	0.9
81.43574	0.9
83.01255	2.2
85.02824	5.9
88.79018	0.9
89.02316	5.6
93.03324	2.2
95.01260	1.1
98.19765	2.0
99.00727	1.1
101.02330	5.1
101.40229	0.8
103.03894	7.4
106.04115	2.8
107.04910	0.9
108.02021	1.5
113.02316	3.5
115.35033	1.3
119.03412	2.7
119.04913	3.2
122.05977	1.1
123.08018	1.2
129.81396	0.9
137.02309	1.5
143.04556	1.2
149.02316	1.7
152.01114	1.6
153.01877	0.9
161.04314	0.9
167.03288	0.9
169.08446	0.9
187.11218	1.9
209.12404	0.9
246.44833	1.1
254.07840	1.1
265.09293	18.9
289.14404	10.7
324.95911	0.9
331.15448	4.6
335.09085	1.1
354.54779	0.9
391.17679	2.9
433.18433	3.3
537.23401	44.0
538.23431	5.6
557.16144	2.3
600.23932	2.8
601.22400	1.2
601.32166	2.0
614.93323	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45104	1.0
55.01747	1.2
57.03313	2.6
59.00958	2.2
59.01248	39.8
61.98700	100.0
63.30157	1.1
65.00195	1.2
71.01251	14.7
71.52636	2.0
72.99183	1.1
73.02805	5.5
78.95775	1.9
81.03300	1.3
83.01241	2.4
83.04863	1.7
85.02834	9.0
87.00742	2.8
89.02310	7.7
93.03318	2.4
94.93042	1.6
99.04375	1.1
101.02302	9.1
103.03874	13.4
106.04115	3.7
107.04888	1.8
108.02058	3.0
109.02824	1.5
113.02313	5.2
115.03895	1.5
118.79725	1.1
119.03389	3.1
119.04914	3.9
120.01152	1.4
121.02848	3.3
123.04360	2.9
137.02351	1.7
147.08035	1.2
149.02298	1.7
149.34837	1.2
151.00229	2.8
152.00999	3.8
152.99480	2.7
153.01790	1.8
153.27650	1.2
160.03920	2.2
161.04463	2.4
163.03938	1.6
171.10132	1.4
175.11201	2.0
200.42960	1.4
209.11720	1.9
265.09274	28.1
269.04608	3.6
289.14444	14.8
290.14850	1.5
331.15436	9.3
391.17514	2.5
481.18826	1.5
537.23364	58.3
538.23895	7.1
556.24896	2.0
599.30542	1.7
600.30505	4.0
601.19366	3.9
601.32397	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	599.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.8
58.00412	0.7
59.01245	46.6
60.01566	1.1
61.98707	5.6
71.01250	12.0
72.99174	1.5
73.02816	8.5
83.01254	2.7
83.04885	0.9
83.99062	0.7
85.02821	4.0
87.00744	1.6
89.02316	2.6
93.03362	2.0
96.95855	1.8
97.02809	0.9
99.00736	0.9
101.02312	8.5
103.03886	1.7
108.02016	1.3
108.04430	0.8
111.00800	1.1
113.02332	5.6
113.99457	1.5
116.92706	1.3
117.03323	6.9
119.03399	1.2
119.04922	3.5
121.02832	4.1
122.03593	0.9
123.04359	1.1
135.04460	0.8
139.03918	0.9
147.04347	1.3
149.02356	1.0
151.00285	2.3
159.04543	1.0
160.03960	1.7
161.02335	1.8
161.04424	2.1
161.05908	1.2
163.03935	1.1
171.04344	1.0
171.10159	4.2
173.02347	2.6
174.01601	1.0
175.00275	2.6
175.01845	0.9
187.03893	1.3
189.05429	1.3
203.06967	1.2
205.05058	1.4
209.11790	3.8
215.03313	1.3
227.03461	1.3
240.04137	1.0
265.09180	0.9
268.03864	5.5
268.06219	1.0
269.04514	1.2
271.06003	2.5
281.04449	3.0
282.05359	2.7
285.04175	0.8
289.08450	0.9
293.04523	42.0
294.05078	3.5
305.08066	1.0
310.90457	0.9
313.01657	0.8
314.04175	6.0
321.07605	1.7
323.09198	20.7
324.09610	2.5
333.07693	10.4
335.09235	1.6
350.07889	5.5
351.08701	100.0
352.09048	8.0
437.16055	1.4
495.12845	1.2
513.13916	3.0
539.24945	1.5
553.82867	1.0
555.15002	67.9
556.15472	8.0
557.33386	1.0
579.17053	2.3
599.18610	0.9
599.30267	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	599.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02962	0.6
59.01247	100.0
61.98708	1.9
62.00163	0.8
65.03827	1.4
71.21848	1.4
75.29089	0.8
81.37171	0.9
83.82352	0.7
87.31246	0.8
93.03336	3.9
98.20181	1.1
199.74940	0.8
254.68134	0.8
541.35083	3.9
599.21320	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	599.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21684	0.8
55.90764	0.7
57.96356	0.9
59.01235	2.7
69.23237	9.2
78.61398	0.9
93.03314	3.7
132.02071	2.9
145.02769	1.0
157.06458	2.2
168.00781	1.0
173.05960	4.1
185.05977	4.5
187.03926	1.6
199.04007	1.0
201.05414	2.9
209.05911	0.9
209.11603	1.0
211.03938	2.2
215.03403	2.5
216.04170	1.7
217.04935	3.2
219.08131	2.3
224.04718	2.1
229.04970	3.7
233.09535	1.1
235.07642	1.1
235.11145	1.2
237.09142	1.8
239.03351	3.0
240.04018	1.0
263.07098	8.5
264.07651	2.9
266.02078	1.1
267.02945	9.9
268.03412	1.0
268.75726	1.0
277.08740	4.2
279.02917	3.0
279.06943	1.4
279.10046	5.4
291.06610	3.0
293.08054	2.5
295.02371	2.1
295.09885	1.1
304.07358	1.6
305.08389	1.6
307.06299	1.9
307.09595	1.8
321.07541	2.3
322.08252	1.3
323.09189	7.2
338.01263	1.5
350.07907	76.4
351.08673	100.0
352.09012	8.7
378.04391	2.4
382.00391	1.2
470.38693	0.9
470.47946	1.0
485.89404	0.9
514.18915	0.9
524.98523	0.9
555.15009	79.5
556.15387	14.0
600.12018	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	598.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.3
58.02843	7.3
59.01249	12.9
61.98700	6.2
62.22046	0.6
66.03329	1.6
70.02858	1.1
71.01254	4.8
71.32126	0.6
71.32479	0.9
72.00780	1.4
72.55013	0.6
72.99168	1.0
73.02814	1.5
74.02341	18.7
76.37411	0.5
81.04431	0.9
82.02857	2.2
82.67490	0.6
83.01254	0.8
84.04399	1.4
85.02840	3.2
86.02352	7.6
86.05989	1.3
86.98955	1.2
87.00734	1.2
87.05512	3.8
89.02315	1.9
90.00064	1.5
93.03339	2.0
94.35291	0.7
96.95901	1.3
97.03934	1.7
99.05515	14.0
101.02312	2.1
101.07071	2.8
101.30134	0.7
102.05466	1.7
103.03898	3.7
107.01222	0.7
108.02048	1.0
109.03962	2.0
109.07584	1.0
111.05522	1.2
112.03936	4.2
113.02353	1.7
116.01599	1.2
116.92731	3.1
119.04893	2.5
121.02798	0.7
123.05517	2.1
124.03920	1.0
125.03431	1.3
127.05016	2.8
128.03423	41.3
131.04506	0.8
135.05516	4.7
137.02278	1.1
137.07100	1.2
141.05669	0.6
141.06613	3.8
143.04515	52.1
144.04935	1.1
145.06081	2.7
146.02396	7.0
146.04427	3.8
151.00218	1.1
153.06587	4.5
155.08162	1.1
159.99461	1.1
160.00656	14.9
160.03973	0.8
161.00970	0.7
161.05966	1.2
163.03940	0.9
164.03403	1.5
166.09682	1.4
167.04494	4.3
167.08167	1.9
170.03201	0.9
171.10197	0.8
171.44264	0.6
177.03247	5.3
179.04539	12.0
181.06227	1.3
184.10898	0.8
185.05623	2.7
192.07700	1.5
197.05606	1.8
205.04984	0.9
209.11839	0.7
210.08759	11.6
228.09839	0.9
229.05052	0.6
242.07903	1.3
254.07811	14.4
255.08087	0.8
267.11285	1.5
269.04654	0.9
272.08862	30.0
273.09277	0.8
288.06589	9.6
289.14612	1.1
306.07639	100.0
307.07956	4.2
350.16730	1.1
433.18857	1.0
469.23926	0.8
474.16379	1.3
598.26526	17.4
599.27368	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	597.3041
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
59.01236	3.3
61.98700	1.9
69.50519	8.8
70.02839	1.2
78.20653	1.2
78.95770	69.5
82.47408	1.1
96.96832	11.6
147.08080	7.7
148.08379	3.4
152.99484	95.4
171.00574	4.5
223.00027	11.7
241.01125	25.3
259.02213	2.1
281.24838	72.5
282.25146	6.0
315.04858	14.6
390.82709	1.3
596.40527	4.5
597.30487	100.0
597.40460	7.0
598.30865	11.6
617.33911	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22851	0.6
57.03315	0.7
58.02842	12.5
59.01250	11.6
61.98676	3.0
66.03352	1.3
66.11085	0.6
69.41304	3.8
69.41722	1.4
70.02836	0.9
71.01261	3.7
72.00774	1.6
72.97388	2.4
73.02807	1.3
73.06801	0.6
74.00549	1.1
74.02343	23.6
81.04450	1.7
82.02441	0.7
82.02837	3.9
84.04417	1.3
85.02823	0.9
85.03945	0.7
86.02348	11.3
86.05978	1.3
87.05523	4.2
88.03901	1.0
89.02318	1.2
93.03323	0.8
95.02337	0.8
96.04427	1.7
97.03949	3.1
98.99592	0.6
99.05517	21.0
100.00268	2.4
100.05828	0.8
101.02330	2.2
101.07088	4.7
102.05492	4.6
107.06062	1.4
109.03988	3.7
109.07581	0.8
111.05518	1.8
112.03912	2.6
113.02319	1.2
113.04164	0.8
115.98329	0.6
119.04951	0.8
123.04420	0.7
123.05575	1.9
124.03944	0.8
124.07563	0.9
125.03451	3.7
126.01835	0.6
126.04283	0.7
127.05003	3.4
128.03421	65.1
129.03763	1.5
135.05528	7.3
137.02365	0.9
137.07115	1.3
138.05499	0.8
141.06602	2.8
143.04520	89.5
144.04829	2.0
145.06108	3.4
146.04486	9.2
152.99472	0.8
153.03998	0.7
153.06569	5.2
155.08145	0.8
164.08226	0.9
165.12819	0.8
165.80775	0.6
166.09752	3.9
167.04521	2.8
167.08139	4.8
169.06151	1.1
170.03218	1.7
171.04034	2.1
171.10139	2.5
179.04529	21.7
180.04915	0.9
181.06111	2.2
184.10767	1.0
185.03931	0.8
185.05615	2.8
192.07707	1.5
197.05580	2.3
201.72923	0.7
209.11771	2.5
210.08774	20.0
228.09955	1.1
254.07799	50.6
255.08102	2.7
256.11359	1.8
272.08875	100.0
273.09213	6.0
291.19742	3.6
304.06094	1.7
309.32318	0.7
312.97382	0.7
325.18436	5.3
404.83368	0.6
469.23773	3.7
580.27368	4.5
598.28015	31.0
599.28479	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	597.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52160	0.5
57.03331	3.8
58.02829	1.9
59.00961	1.0
59.01246	20.2
61.98696	3.0
68.12848	0.4
71.01247	12.4
71.04888	0.7
72.99174	1.2
73.02821	4.6
74.02344	4.7
74.16361	0.4
75.00733	0.7
79.95590	0.5
83.01266	2.4
83.04860	0.6
85.02816	17.6
85.03856	0.7
86.02347	1.1
86.98949	0.7
87.00736	1.2
87.05515	0.8
89.02310	2.7
93.03323	1.7
95.01268	0.8
96.95870	1.6
99.04402	0.9
99.05508	3.4
101.02348	4.2
103.03882	27.6
107.04913	1.5
108.02063	0.8
112.03933	0.9
113.02309	1.7
116.01643	0.6
119.03379	1.2
119.04916	2.4
121.02803	1.8
125.02316	0.9
125.03378	0.8
125.05969	0.7
128.02510	0.7
128.03421	10.5
135.04445	0.5
135.77850	0.6
137.02373	0.7
141.06573	0.7
143.03548	0.5
143.04520	14.0
145.04985	0.7
146.02332	2.0
146.04517	1.2
149.02362	1.0
151.00325	0.7
152.00934	0.5
153.06532	0.6
160.00647	3.6
161.04675	0.9
161.05983	4.8
163.03951	0.9
163.07501	0.7
163.29953	0.5
164.04597	0.6
165.01875	0.5
167.04562	1.0
177.03279	1.6
179.04564	2.5
185.05928	1.5
187.07512	1.0
189.09111	4.7
190.02646	0.5
190.09444	0.6
201.09181	0.5
205.04971	2.3
210.08746	2.6
213.09148	2.2
223.06165	0.6
229.04997	1.9
229.12236	3.1
231.10248	2.8
245.08020	0.6
247.07993	1.0
247.13353	1.5
254.07799	4.5
265.08984	3.9
267.11462	0.9
269.04547	1.2
271.13303	0.7
272.08862	8.8
273.14926	2.7
277.14481	1.4
278.25522	0.5
287.13547	0.8
287.16422	3.5
288.06732	2.3
289.14383	1.8
305.17532	2.0
306.07629	25.6
315.15906	0.5
329.17526	2.1
331.15503	2.4
349.16541	16.1
350.16794	0.8
363.18137	8.1
364.18466	1.2
367.17776	0.6
367.32709	0.6
373.16602	6.7
374.16794	0.8
391.17581	3.2
462.43430	0.5
474.16443	1.4
537.31897	0.7
563.11267	0.7
579.16406	0.7
597.25464	100.0
598.25934	16.1
615.37457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75946	1.8
57.03329	2.0
59.01249	27.4
61.98699	3.9
66.15115	2.3
69.87314	2.1
70.47112	2.9
70.47450	6.5
71.01252	12.8
73.02806	4.1
83.01250	3.3
85.02816	6.3
87.00741	6.6
87.04382	5.6
88.47447	2.5
89.02309	2.9
93.03362	3.1
96.95874	3.5
101.02328	7.2
106.04136	2.6
113.02316	4.7
119.04925	5.9
121.02862	12.7
125.02296	2.7
135.04376	4.0
142.37816	2.1
149.05966	4.7
151.00307	6.4
153.01784	3.2
175.00180	3.4
175.07579	5.5
176.08342	2.1
177.09120	7.0
190.02649	6.9
205.04974	7.3
206.05208	3.5
220.10925	4.7
229.12267	2.9
229.15831	3.1
231.10205	10.3
245.08104	4.8
246.12550	4.4
247.13321	13.0
269.04630	4.0
271.06079	3.4
273.14926	7.8
287.12543	2.6
305.17422	15.2
315.04895	2.6
331.15707	5.1
349.16528	100.0
350.16812	10.9
354.81967	2.3
417.19138	14.8
553.22443	4.0
579.17084	3.1
597.27924	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	597.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	11.2
59.01250	73.8
61.98681	17.0
69.03315	9.8
71.01252	60.7
71.39758	9.5
72.99175	10.4
73.02814	13.6
75.00729	10.2
81.03320	8.9
83.01202	6.3
83.04898	5.4
85.02818	29.9
87.00761	13.1
89.02319	41.2
93.03352	13.7
95.01238	13.9
95.04898	8.6
96.95859	26.2
97.02808	7.2
99.00743	6.4
101.02325	34.0
103.03896	7.5
104.50357	5.7
105.07897	5.6
108.02012	6.5
109.02840	34.7
111.00771	8.9
111.04405	12.4
113.02330	29.0
114.65051	5.1
116.61958	5.4
119.03370	14.9
119.04919	17.1
121.02829	13.6
121.06482	51.3
121.36187	5.5
122.03587	9.9
123.04389	29.3
125.02364	6.1
129.52284	5.0
133.06433	7.7
134.03572	7.2
135.04442	13.1
137.02316	24.0
137.05962	33.9
138.03053	7.3
139.03882	21.1
141.27626	6.0
147.04396	24.0
149.02357	12.2
149.05968	23.6
150.03107	11.6
151.00365	7.0
151.03905	42.1
151.07532	13.5
152.01030	18.3
152.04726	6.0
153.01860	13.5
153.05484	14.1
154.02545	5.7
157.04768	5.4
161.04465	10.2
163.03876	8.2
163.07471	9.6
164.04697	18.6
164.48152	5.7
165.05490	100.0
166.02631	13.7
166.06110	8.1
167.03442	30.6
167.37503	5.4
177.05447	17.7
179.07039	13.4
181.04994	41.6
191.03499	6.3
191.10680	7.3
205.05096	8.8
209.04489	9.7
209.08104	10.0
221.04518	5.4
225.11183	9.3
227.09137	18.1
235.09731	22.3
237.11301	12.1
253.10866	43.7
255.12526	5.6
265.09232	19.4
267.12338	8.9
269.10123	9.2
279.08780	7.9
281.10220	37.0
297.09888	41.0
298.10416	7.6
299.11249	9.3
301.09320	7.4
311.11136	7.2
313.09241	15.2
315.10599	7.3
354.63745	5.7
383.17291	11.8
385.18610	13.6
399.16370	16.5
401.18088	41.7
402.18851	5.6
416.16635	6.5
417.15591	10.4
465.10229	8.0
562.01282	6.0
563.23151	17.2
597.24652	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	597.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94082	0.7
57.03311	1.8
59.01251	6.6
61.98705	1.1
67.01749	0.8
68.99668	0.9
69.03320	0.9
70.75209	0.8
71.01255	4.6
73.02805	2.6
75.00737	0.8
80.02535	0.6
81.03325	9.5
83.01250	7.0
83.04903	0.7
85.02817	2.8
87.00738	0.9
89.02322	1.2
93.03338	6.2
95.01263	2.6
95.04890	4.4
95.55561	0.6
97.02827	4.7
99.00751	0.8
99.04378	3.1
101.02323	1.9
107.04894	1.9
108.02087	1.6
109.02831	4.7
109.06438	0.7
111.00777	1.1
111.04395	2.9
113.02283	1.2
119.04921	9.7
121.02823	4.6
121.06509	1.0
122.03668	1.1
123.00745	1.2
123.03532	1.4
123.04399	16.3
125.02322	13.6
133.02835	0.6
135.04396	6.1
137.02342	5.6
137.05975	7.0
138.03162	0.9
139.03896	10.1
141.05438	0.8
147.04430	3.2
149.02336	3.4
149.05989	3.1
150.03091	1.3
151.00282	1.9
151.03931	4.9
153.05434	1.5
155.03395	1.1
159.04404	1.2
160.05124	0.8
161.04425	0.9
161.05981	1.7
163.03911	5.3
163.07542	1.5
164.04628	0.9
165.01857	3.2
165.05481	7.0
166.02562	1.6
167.03401	27.3
168.03760	1.4
177.01866	1.7
177.05452	3.1
179.03426	8.9
179.06985	1.6
180.04147	1.2
181.04947	2.8
187.66475	0.8
189.05486	7.3
190.05830	1.3
191.03406	2.2
191.07074	0.9
193.01311	1.0
193.04991	4.1
195.06615	1.1
197.04536	4.0
203.03349	1.0
205.05002	1.4
207.06609	2.0
209.04486	24.4
210.05022	0.9
217.04924	0.9
219.02831	1.9
221.04453	4.1
223.06032	1.3
229.08580	0.8
233.04326	1.6
235.06146	1.1
239.05563	9.8
251.05595	3.1
259.13260	1.5
263.05594	1.8
269.06754	1.9
271.05933	0.8
272.06488	0.9
273.07532	3.1
281.06677	0.9
285.07672	1.9
315.08731	16.3
316.09164	1.2
327.08731	6.0
341.10410	0.8
345.09698	6.5
346.10266	0.8
357.09763	100.0
358.10104	10.9
369.09726	4.4
371.11395	1.0
387.10831	72.5
388.11072	8.3
399.10626	4.0
406.24982	0.7
417.11871	23.6
418.12170	2.3
429.11765	1.9
435.12006	1.7
437.44708	0.7
441.12070	1.4
459.12903	9.8
477.14020	17.0
478.14316	3.6
489.13992	7.3
490.14459	1.2
507.15097	2.7
521.16699	1.1
553.19342	1.3
579.16748	2.0
597.17676	11.7
598.18707	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.7
69.40504	2.9
69.40930	2.2
78.95771	69.0
80.91556	2.3
93.48951	0.6
96.96834	13.6
117.00350	0.7
120.10292	0.5
146.13579	0.5
150.97862	1.4
152.65559	0.6
152.99480	100.0
153.99852	1.3
171.00508	2.7
173.02861	0.6
193.92343	0.6
218.17766	0.6
220.43155	0.6
223.00037	10.1
228.94513	0.6
241.01125	21.2
259.02203	2.1
275.06213	4.0
277.21567	0.9
279.23257	62.3
280.23587	6.3
315.04849	18.2
333.05887	1.3
391.19714	1.3
535.27509	1.6
545.85309	0.7
595.28857	84.0
596.29211	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	595.2887
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01244	1.0
60.62248	0.4
61.98701	0.8
70.86075	1.0
70.86414	0.9
71.01958	0.4
73.86701	0.5
78.95773	65.2
86.21515	0.5
96.96834	14.5
126.09170	0.5
150.97983	0.6
152.99483	61.9
153.99847	1.4
171.00554	1.7
222.99927	2.2
241.01140	30.5
242.01534	1.5
259.02307	0.7
261.22070	0.6
279.23276	59.8
280.23578	5.3
301.34857	0.5
312.08490	0.4
315.04828	9.5
415.22504	6.9
416.22885	0.6
433.23560	2.5
447.84116	0.5
451.42404	0.6
595.28857	100.0
596.29187	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2886
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.41295	0.5
55.83761	0.5
57.28524	0.4
62.76997	0.5
66.21009	0.5
71.01270	0.5
78.95771	70.1
96.96829	12.7
150.97902	1.1
152.99486	100.0
153.99800	1.0
171.00523	2.3
223.00090	10.8
229.74251	0.6
241.01137	26.4
242.01534	0.7
259.02310	1.4
279.23270	61.5
280.23602	6.0
315.04855	19.5
333.05777	0.9
461.99887	0.4
595.28851	86.9
596.29138	10.7
618.63403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16958	0.5
54.44957	0.6
57.03329	3.3
58.00462	1.4
59.01249	34.4
61.26976	0.6
61.98686	1.9
71.01251	24.7
71.32409	0.9
72.99179	1.5
73.02802	1.8
83.01244	1.7
85.02818	11.3
86.02335	1.3
87.00774	1.5
87.04435	0.7
89.02313	16.6
92.61538	0.5
93.03327	0.8
95.01250	1.8
96.95892	1.2
99.04488	0.6
101.02322	11.0
102.02726	0.6
103.03887	24.0
113.02321	7.3
113.58343	0.5
115.03873	0.8
118.31211	0.6
119.03381	8.1
119.04935	1.1
121.02834	1.0
125.02328	0.7
131.03401	0.8
133.00238	0.5
147.00616	0.7
149.02344	1.0
150.03101	0.8
160.03876	0.8
161.04410	1.0
161.38870	0.6
163.03908	1.0
167.10690	6.6
168.11098	0.6
175.00310	0.9
176.01064	2.9
179.05559	0.9
183.06570	0.8
185.11732	1.7
190.02632	0.9
190.99799	0.9
191.01805	0.7
191.03413	4.4
191.10620	0.6
205.04996	1.1
209.04512	1.0
223.05914	0.8
247.08269	1.1
265.09283	6.8
266.09763	0.6
291.10690	0.7
329.16055	2.3
347.17096	7.8
348.17261	0.9
350.18747	0.6
371.16965	1.3
389.17032	0.7
551.30621	2.5
595.26038	100.0
596.26373	13.7
596.41516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.3
57.97429	1.6
59.01248	25.7
60.01575	1.2
61.98700	19.2
71.01251	6.8
71.53299	0.7
71.53679	0.6
72.99159	1.1
73.02813	1.6
75.00745	0.6
83.01275	1.1
83.04874	0.8
83.98989	2.2
85.02824	4.5
85.98576	0.6
86.00937	0.4
86.03158	0.5
87.00748	1.2
88.98693	0.6
89.02336	1.8
93.03348	1.2
95.01247	1.1
96.95863	0.6
97.02861	0.6
99.00764	1.1
101.02315	4.2
103.03879	3.2
107.04898	0.7
108.02045	1.3
109.02849	0.9
111.00740	0.6
113.02338	3.2
117.03352	0.5
118.97987	0.5
119.03400	0.7
119.04898	1.4
121.02831	2.7
122.03632	0.7
123.00674	0.4
123.04394	0.7
125.02315	1.1
133.02809	0.6
135.04408	0.9
135.08096	0.5
137.02303	1.0
138.03082	0.5
139.03757	0.4
143.03336	0.6
145.02846	2.7
146.03625	0.5
149.02353	2.5
149.09486	0.6
150.03061	0.7
151.00269	1.2
152.01053	0.7
153.01860	0.7
154.42863	0.5
159.02924	0.4
160.03906	1.5
160.05124	0.5
161.02292	1.4
161.04454	1.1
163.03876	1.0
164.04684	1.6
165.01866	0.6
173.02351	0.9
174.03127	18.2
175.00278	2.1
175.03476	0.9
177.05397	0.7
178.02625	0.9
183.23657	0.4
190.02629	4.4
191.07118	0.7
204.01187	4.0
205.01648	2.2
205.04958	5.4
206.02151	12.3
206.05310	0.8
207.02492	1.2
223.06075	1.9
229.08653	100.0
230.08984	7.2
231.13907	2.3
241.14381	0.5
245.08167	0.8
257.11816	0.7
259.13434	0.7
265.09241	2.0
266.09561	0.7
269.04510	0.9
271.13193	0.6
275.12827	1.3
284.03534	0.5
285.03983	1.2
286.03979	0.5
289.14551	0.6
303.12335	1.3
345.13602	0.7
368.61484	0.5
433.18646	0.6
433.29074	0.6
489.34711	0.6
490.34521	1.3
491.34872	1.5
508.35184	0.7
509.35724	0.6
523.21906	3.3
535.32269	0.5
551.14185	1.9
551.21893	0.9
595.12909	0.7
595.27197	6.0
596.27698	0.8
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	Unknow
Peak:m/z	Relative Intensity
55.01770	0.9
57.03318	0.8
59.01238	1.1
59.64574	0.5
65.00196	1.4
68.56458	0.5
68.99693	1.2
69.03340	0.8
69.60222	3.6
71.01257	2.0
72.40056	0.5
73.02832	1.1
79.01776	1.5
81.03329	1.9
83.01257	4.5
85.02824	0.8
89.58077	0.5
93.03333	5.9
93.91035	0.6
95.01270	2.1
97.02831	3.6
98.19814	1.3
101.02306	1.0
103.91632	0.6
105.03367	0.9
107.01260	6.2
107.04929	1.4
109.02838	3.1
111.00790	0.8
111.04421	2.3
113.02336	1.1
117.03353	1.3
119.01305	0.7
119.04913	36.3
120.05269	1.1
121.02829	4.5
121.06514	0.9
123.00777	2.1
123.04391	2.3
125.02327	10.4
133.02898	1.3
135.04405	3.1
136.01585	0.7
137.02319	4.0
137.06029	1.0
139.03896	5.5
143.04901	5.7
145.02856	5.8
147.04414	2.6
149.02362	4.1
150.03172	1.4
151.00249	4.6
151.03943	1.5
153.01839	1.0
155.03363	1.0
157.06511	0.6
159.04372	0.9
161.02374	1.5
161.05992	2.2
163.00261	2.7
163.03926	3.6
164.01103	0.8
164.83406	0.5
165.01852	5.7
165.05461	1.3
167.03394	9.2
171.04500	0.6
173.06018	0.8
175.03986	1.4
176.01093	0.7
177.01837	4.8
177.05414	0.8
178.02576	1.1
178.99889	0.7
179.03455	3.0
185.05994	1.4
187.03938	6.3
189.01912	1.3
191.03442	3.9
192.03886	0.8
193.01363	8.3
193.05020	1.2
195.03006	1.1
197.04501	2.3
197.06137	0.9
199.07562	2.5
200.04666	0.6
203.03412	1.2
204.00694	1.0
205.01370	5.9
205.04991	0.7
206.02132	0.9
207.02928	3.1
209.04459	3.2
219.02953	2.6
221.04453	1.1
223.02452	1.3
223.07738	0.9
227.07080	2.3
229.05067	0.9
233.04430	0.7
235.02446	12.2
239.05588	2.0
241.08675	0.7
243.06541	1.4
245.08266	0.9
247.02364	2.3
249.04002	1.8
259.06161	3.9
261.04013	2.0
265.03445	4.4
265.08804	1.5
267.06598	0.7
269.08426	1.0
271.06155	2.7
277.03592	0.6
283.06082	2.2
287.05576	3.3
293.08154	0.7
297.07645	1.2
311.05789	0.7
313.07162	14.5
314.07349	1.3
325.07166	5.9
326.07657	1.1
337.07156	0.7
339.08542	0.8
343.08130	5.5
353.06598	0.9
355.08203	84.7
356.08508	8.5
364.19882	0.6
367.08273	4.2
369.09604	0.8
385.09265	66.1
386.09628	6.6
397.09201	3.9
399.10803	0.7
415.10309	19.8
416.10727	2.3
427.10147	3.0
439.10629	0.7
445.11600	1.3
451.10321	0.6
457.11426	10.1
458.11942	1.1
469.11188	0.7
475.12430	39.2
476.12823	5.6
476.35434	0.6
487.12573	6.3
488.12888	1.3
505.13522	12.1
506.13525	2.2
512.60565	0.7
567.17108	1.3
577.15454	5.0
595.16620	100.0
596.16846	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	595.1669
Annotation	5,7,2',5'-Tetrahydroxyflavanone 7-O-rutinoside
Peak:m/z	Relative Intensity
56.53164	0.8
57.03316	1.9
59.01247	10.5
65.00189	7.2
71.01253	8.8
71.52309	1.1
72.99154	1.7
73.02803	2.4
81.03331	1.4
83.01245	3.8
85.02808	4.0
88.64891	0.8
89.02303	4.9
89.55824	0.7
93.03349	1.9
95.01247	2.0
97.02876	0.8
97.27681	0.7
99.00768	1.0
101.02322	4.6
102.98396	1.2
107.01272	9.5
108.02061	1.4
109.02840	8.9
109.99960	1.2
111.00745	3.1
113.02330	3.0
114.49315	0.9
117.03360	2.4
119.03390	1.7
119.04913	11.3
121.02878	1.4
123.00773	2.7
123.04391	1.0
125.02339	13.7
134.03612	1.0
135.04402	29.9
136.04773	1.1
136.98726	2.7
137.02315	1.2
139.00267	7.7
141.01779	1.3
143.03323	0.8
149.02316	2.1
151.00272	43.3
152.00868	1.8
153.01840	11.5
161.02339	3.5
161.04419	1.0
164.72575	0.7
164.98216	1.5
165.01839	1.0
165.98853	1.2
166.99774	11.7
167.03453	1.3
169.01149	0.9
175.00267	3.8
177.01828	7.5
179.14293	0.8
181.01384	5.1
189.05396	1.1
193.01274	2.6
201.05417	0.9
243.06459	1.5
247.65361	0.8
259.06113	1.8
265.09286	1.2
269.04492	3.3
271.06046	1.0
273.23337	1.0
280.83948	0.7
284.03146	1.1
285.03998	3.5
286.04477	5.1
287.05603	100.0
288.05920	6.8
311.05701	1.8
327.22668	0.7
329.06638	1.1
337.07092	1.4
459.11359	2.3
475.10620	2.3
535.27863	3.2
553.28601	3.3
595.16235	21.3
595.25250	1.7
596.16595	2.8
612.72101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1663
Annotation	Aromadendrin 7-rhamnosyl-(1->4)-galactoside
Peak:m/z	Relative Intensity
57.03318	2.9
59.01247	11.9
63.02267	0.8
65.00191	15.8
65.20413	0.5
67.01768	0.7
68.99689	1.1
69.37376	3.3
69.37785	1.0
71.01254	8.6
72.99170	1.5
73.02811	1.9
81.03337	1.9
83.01261	7.2
85.02814	4.4
87.00745	1.2
89.02318	3.5
93.03331	1.4
95.01264	2.3
98.19842	1.0
99.00747	1.2
101.02331	5.0
103.03893	3.9
105.03302	0.8
107.01270	21.9
107.04876	0.9
108.02068	1.8
108.99210	0.8
109.02831	20.0
109.99282	1.0
109.99977	10.1
110.03175	0.8
111.00743	2.3
113.02307	3.5
117.03355	3.2
118.23262	0.5
119.03387	1.9
119.04905	11.0
120.05288	0.8
121.02852	1.3
123.00748	1.9
123.04390	1.2
124.01530	2.1
125.02326	18.0
131.03365	0.8
133.02838	2.2
134.03622	2.0
135.04411	71.6
136.01567	0.6
136.04776	2.8
136.98656	2.9
137.02328	1.3
137.99525	3.0
139.00267	6.8
140.01059	1.0
141.01782	0.8
141.98953	0.9
149.02345	1.5
151.00269	91.2
152.00777	3.4
153.01842	5.5
153.98930	0.5
161.02330	7.6
161.04427	0.7
163.03897	0.6
164.00996	1.4
164.98181	2.3
165.01807	3.0
165.99001	7.4
166.99771	12.3
167.03429	1.6
168.00346	0.5
169.01405	1.3
175.00229	2.7
177.01842	19.2
179.05580	0.8
180.00562	3.6
181.01308	2.5
192.00485	0.9
193.01346	5.3
201.05455	0.9
205.01375	1.6
217.01401	0.7
229.04868	0.7
235.02409	3.1
241.04929	0.7
243.06573	1.4
257.03970	0.7
258.05182	0.9
259.06131	1.7
265.09253	13.7
265.60071	0.5
268.03760	0.7
269.04495	4.5
271.06161	1.2
272.05655	1.4
275.85529	0.5
285.03964	3.3
286.04767	13.2
287.05597	19.3
288.05893	1.1
308.31989	0.6
329.06396	0.7
333.08182	3.1
339.07242	1.9
391.22949	0.7
431.09702	1.4
432.10422	0.7
433.13269	1.5
434.10767	0.8
449.10440	0.7
459.11417	22.4
460.12119	2.4
475.10892	6.2
475.85287	0.5
476.11172	0.8
485.12952	1.4
501.12393	1.1
526.39258	0.6
535.26794	2.7
553.28522	2.1
577.15485	1.7
595.16553	100.0
596.16840	14.6
612.18176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71955	0.5
59.01257	0.6
67.51987	0.5
69.37401	4.4
78.95773	63.2
96.38298	0.5
96.96840	12.0
113.39126	0.6
142.37117	0.5
150.97937	1.6
152.99484	100.0
153.99847	1.9
171.00539	2.9
200.75342	0.6
223.00064	9.3
241.01154	23.8
242.01479	0.7
259.02213	1.8
277.21710	48.6
278.22046	4.4
287.64075	0.6
315.04831	16.4
316.05109	0.7
333.05850	1.5
496.99628	0.7
593.27295	71.0
594.27594	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	593.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00215	1.6
57.03322	5.0
57.97431	6.8
58.86604	1.6
59.01251	100.0
61.98705	31.1
69.22250	4.8
69.22668	12.4
71.01253	21.9
72.99182	5.3
73.02821	7.0
75.98947	1.6
83.01257	3.5
83.99001	12.9
85.02821	13.2
87.00730	2.2
89.02317	7.2
91.74818	1.6
93.03337	1.9
95.01269	2.4
98.19757	2.8
99.00769	2.2
101.02338	10.0
103.03876	9.3
113.02351	9.7
119.03393	4.0
120.99546	1.7
121.02850	3.6
125.02341	1.7
135.04442	2.8
137.02353	2.9
143.03419	2.2
145.01341	3.7
148.53392	1.6
149.02324	6.3
152.00963	2.1
160.03989	1.8
161.04521	2.9
161.06073	1.6
164.04733	5.1
175.00279	11.8
175.07542	1.8
189.02422	2.8
190.02626	27.7
191.03195	2.6
204.01170	29.1
205.04980	25.2
212.91740	1.9
223.06055	7.3
225.78241	1.7
248.00073	1.9
255.03152	3.6
258.05978	2.7
265.09402	5.8
269.04419	2.3
284.03604	4.9
285.03964	4.7
285.07623	12.4
302.69650	1.7
345.29950	3.1
350.17038	2.2
353.06885	1.8
372.52167	2.0
407.25177	2.0
489.34320	31.8
490.34564	6.6
507.35385	13.3
508.35709	2.6
516.37195	2.0
549.36487	3.0
550.13782	12.2
575.26630	2.1
593.15594	9.9
593.26355	32.6
594.12567	10.4
594.26672	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	593.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12266	0.7
59.01236	2.4
62.24926	0.6
69.18416	0.8
69.18807	7.3
72.23653	0.7
73.88454	0.6
78.95771	76.2
80.97906	0.6
96.96834	16.3
131.14716	0.6
150.97902	1.6
152.99480	73.9
153.99826	1.3
156.13216	0.7
170.78365	0.7
171.00497	1.4
223.00089	2.1
241.01143	32.8
242.01646	1.0
259.02298	0.8
259.37100	0.6
277.21701	53.8
278.22003	4.7
285.04031	0.7
285.14819	0.8
295.95590	0.6
315.04840	11.1
413.20963	6.4
414.21191	1.5
431.21960	2.4
593.27271	100.0
594.27625	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	593.2631
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
57.03311	0.3
59.01250	9.8
61.98697	3.4
63.96118	0.5
69.03312	0.8
69.86404	1.2
70.58910	0.3
71.01249	5.8
72.99187	0.3
73.02814	1.5
78.98465	4.1
79.95604	33.9
80.87573	0.3
80.96386	52.5
81.03344	0.9
83.01264	0.6
85.02812	2.3
87.00747	2.5
92.99615	0.3
94.97957	12.7
95.01245	0.6
96.95889	1.2
97.02796	1.2
98.19834	0.3
99.00739	0.6
99.04404	0.3
101.02331	3.1
106.97945	2.4
108.89064	0.3
113.02318	0.6
119.07080	0.3
122.97467	4.4
125.02354	2.6
127.03914	0.7
133.23518	0.3
134.97470	3.5
136.99059	1.6
145.02872	1.0
147.04413	1.2
148.99037	4.5
152.98518	6.1
161.04488	0.7
161.05919	0.4
164.98532	8.5
167.00072	0.4
171.41603	0.3
173.02397	0.5
174.01732	0.4
174.03134	4.8
175.03909	13.8
176.04295	0.6
179.00024	0.6
182.99628	2.0
183.08063	0.7
187.03979	0.7
195.13876	0.6
195.99756	0.3
197.01181	0.5
199.07587	0.4
201.09174	0.9
206.02141	2.1
206.99632	3.8
209.11771	0.4
225.00685	18.5
226.01050	0.7
227.03632	0.4
227.07092	7.4
228.07428	0.6
241.00223	1.1
243.01746	2.2
245.08144	34.4
246.08456	2.3
255.02994	0.4
263.09204	4.0
264.09653	0.3
284.03244	1.2
285.04153	1.4
285.07199	0.3
286.04214	0.3
293.04456	0.4
293.21164	0.7
297.07608	0.5
299.04330	3.9
315.03937	1.1
322.79895	0.3
347.14920	2.5
353.06680	1.4
371.06400	1.6
383.07870	0.6
385.08084	0.7
399.09818	1.7
413.11053	0.9
427.12726	0.4
437.99057	0.3
441.14395	1.1
455.15710	2.0
473.10922	0.4
473.35098	0.4
495.19171	2.0
523.18396	1.3
524.19177	0.7
581.45514	0.3
593.15729	3.7
593.26215	100.0
594.26477	14.6
605.55078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.3
58.00458	0.8
59.01248	9.4
61.98702	0.9
62.26912	0.4
65.00166	0.7
71.01247	7.7
71.01610	0.6
71.01935	0.7
71.02303	0.9
72.80003	0.4
72.99178	0.7
73.02814	3.5
75.00738	0.4
83.01250	1.3
83.04875	1.2
85.02814	4.7
87.00758	0.8
89.02313	1.3
91.01787	1.9
93.03343	1.8
95.01244	1.0
96.95904	0.6
97.06413	0.5
99.00760	1.1
101.02323	3.5
103.03886	1.3
104.04172	0.4
105.03360	0.4
107.04901	2.2
113.02320	2.5
117.03337	0.5
119.01274	6.3
119.03395	0.9
119.04921	1.9
120.01608	0.4
121.02823	3.9
123.04375	0.6
123.08046	0.5
125.02344	0.7
132.02032	0.8
134.03600	1.2
135.04424	2.0
137.02322	0.8
137.09604	0.7
145.02844	0.8
147.00789	5.2
147.04398	0.8
148.01431	0.5
149.02336	16.6
149.09673	0.4
150.03012	1.3
151.00293	0.5
151.03917	0.4
151.11247	0.7
152.01035	1.5
153.01868	0.5
161.02348	0.9
161.04495	0.6
162.03079	0.6
163.03905	3.5
164.04694	15.9
165.01836	1.7
165.05212	0.9
165.12808	0.5
169.04955	0.5
175.00281	34.0
176.00774	1.7
177.01671	0.5
179.05696	0.5
179.07030	2.2
181.04994	3.4
189.01884	0.9
189.12737	0.5
190.02634	89.9
191.03072	5.0
194.02119	0.5
195.13870	1.0
205.04993	88.9
206.05341	4.9
207.06514	0.5
207.13939	0.9
208.03641	1.4
209.04521	2.1
221.63173	0.4
223.06052	26.5
224.06512	0.9
225.14928	3.3
227.03365	0.7
255.02916	1.2
265.06961	0.8
269.04462	0.5
284.03159	1.6
285.04120	3.7
301.10776	0.5
345.22632	0.5
349.18433	0.5
353.06876	0.4
367.10120	2.6
371.10934	0.4
387.16553	2.2
391.19754	1.6
404.98819	0.4
503.24008	1.4
549.29016	1.3
578.23712	1.3
593.25952	100.0
594.16370	1.0
594.26288	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	593.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62749	0.5
57.03320	1.8
59.01248	25.1
61.98703	9.4
65.00201	1.2
65.93654	0.5
69.72134	0.6
71.01250	8.2
72.99201	1.0
73.02802	2.7
79.95565	0.6
82.22778	0.5
83.01261	1.2
83.83482	0.5
83.98942	0.5
85.02824	4.2
86.03149	0.4
87.00758	1.4
88.98653	0.7
89.02326	3.3
91.01769	1.7
93.03327	2.6
95.01274	0.9
99.00724	0.9
99.04398	0.7
101.02339	4.5
107.04871	0.7
108.02070	0.6
109.06644	0.5
111.00773	0.6
113.02338	2.5
116.63413	0.5
119.01259	5.4
119.03399	0.6
119.04938	1.3
121.02835	4.2
122.06044	0.5
125.02338	0.8
131.04591	0.5
134.03644	1.8
135.04422	1.9
137.02338	1.1
137.09644	1.4
147.00797	4.2
147.04419	1.0
149.02347	13.9
149.05830	0.6
150.03008	1.0
151.00259	1.1
151.03851	0.4
152.01012	1.5
160.03940	0.9
161.02318	0.6
161.04431	1.0
163.03920	3.1
164.01053	0.5
164.04691	13.6
165.01848	1.6
165.05356	1.2
175.00288	31.9
176.00722	1.7
177.01755	0.9
179.03409	0.6
179.07021	2.2
181.04909	0.6
189.01865	1.2
190.02641	79.8
191.03055	5.3
205.04999	80.9
206.05397	5.0
207.02892	0.7
208.03688	1.5
209.04465	1.6
221.08157	0.6
223.06059	19.1
224.06340	1.0
225.10384	0.6
227.03433	0.7
255.02940	1.3
256.03552	0.7
265.07172	1.9
268.03860	0.5
269.04669	0.9
284.03180	1.6
285.04520	3.9
285.07227	4.1
286.04517	0.6
286.08151	0.8
293.04623	0.9
297.39267	0.5
353.06665	1.4
360.20648	0.6
367.10233	0.8
429.34256	0.5
489.34198	2.1
502.64453	0.5
505.19949	0.9
578.23462	1.1
593.16229	5.3
593.25958	100.0
594.26215	16.5
609.94360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.1
55.66633	0.5
57.03329	1.9
59.01245	17.8
60.01593	0.6
61.98697	6.9
65.00201	1.0
67.61932	0.6
71.01250	10.6
71.52865	0.9
72.99187	1.1
73.02824	2.8
75.00739	1.0
83.01279	2.0
85.02824	6.5
87.00754	1.7
88.98649	0.6
89.02293	3.0
91.01765	2.0
93.03339	2.4
95.01261	1.5
96.95871	0.8
99.00761	1.1
101.02320	6.6
103.03905	0.7
107.04904	2.2
108.02076	1.0
109.02842	1.2
113.02317	4.2
117.03362	0.8
119.01267	5.8
119.03396	1.3
119.04895	2.4
121.02846	4.3
121.27208	0.5
125.02386	0.9
133.02747	0.7
134.03676	1.5
135.04398	2.4
137.02271	0.6
147.00771	5.5
147.04401	1.8
149.02338	15.3
150.03076	1.9
151.00272	1.3
151.03999	1.1
152.01022	2.6
153.01871	1.0
160.03925	1.1
161.02376	1.3
161.04463	1.1
163.03915	5.1
164.04689	13.6
165.01788	1.8
165.05379	1.3
167.03406	0.7
175.00267	32.7
176.00874	1.2
177.05481	0.6
179.07018	2.1
181.04991	4.4
183.45358	0.6
185.06027	0.6
189.01814	0.8
190.02631	89.5
191.03172	5.5
193.05031	0.6
194.02083	0.7
203.12718	0.6
205.04988	84.0
206.05357	5.6
207.06509	0.8
208.03656	1.5
209.04449	1.8
223.06067	19.4
224.06404	1.1
227.03456	1.4
251.05612	1.0
255.03003	2.9
255.12238	0.8
265.07141	1.7
269.04608	1.1
284.03259	5.0
285.04010	7.1
285.07306	1.0
287.22461	0.8
302.08334	0.6
353.06595	1.2
369.10095	0.7
371.10468	0.9
376.81107	0.6
387.06412	0.6
431.26645	1.2
449.27826	3.0
473.17987	1.0
491.19125	1.8
492.18759	0.9
507.28152	0.7
549.29608	3.1
578.23553	1.0
593.15540	8.7
593.25916	100.0
594.17261	1.1
594.26288	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	593.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09478	0.5
57.03334	1.0
57.07338	0.5
59.01250	10.6
60.01574	0.6
61.98700	3.1
65.00222	1.1
69.62773	1.2
69.63186	2.6
69.90421	0.5
71.01257	4.7
72.99171	0.8
73.02833	1.4
83.01273	1.1
85.02826	2.9
87.04419	0.9
88.98692	0.5
89.02322	3.4
91.01783	0.9
93.03354	1.7
98.20510	1.1
99.04379	0.6
101.02320	3.0
103.03910	1.4
107.01237	0.7
113.02363	1.8
117.03378	1.1
119.01287	3.2
119.03389	0.8
119.04945	0.9
121.02872	2.0
134.03622	0.7
135.04408	1.5
137.02296	0.6
140.94362	0.5
143.03427	0.8
147.00766	3.0
149.02341	7.9
150.03128	0.7
151.00301	2.7
152.00946	1.0
152.07158	0.6
162.03120	0.6
163.03912	2.4
164.04689	6.7
165.01854	0.8
165.05432	0.8
172.05110	0.8
175.00276	18.9
176.00702	1.0
179.07008	1.0
189.01891	0.7
190.02629	50.7
191.03079	3.2
192.63106	0.5
195.82343	0.7
205.04991	48.5
206.05334	3.8
208.03722	0.9
209.04410	1.5
211.04019	0.8
212.04564	0.6
223.06029	5.7
239.03522	1.7
240.04076	2.2
241.04353	1.6
242.04820	0.8
265.07077	0.8
267.02902	0.8
268.03751	72.4
269.04086	62.2
270.04303	54.0
270.08612	0.8
271.04623	3.1
281.04620	0.7
283.06091	100.0
284.06433	92.1
285.04150	3.5
285.06668	89.0
286.06934	4.1
295.08017	0.7
325.06824	0.8
326.07578	1.1
327.07535	0.6
388.12076	1.6
578.23145	1.1
593.16254	4.4
593.25842	53.8
594.16492	0.7
594.26160	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12144	0.1
55.01757	0.2
57.03316	0.4
58.33507	0.2
59.01247	3.0
61.98703	0.5
63.02263	1.2
64.99849	0.3
65.00189	4.6
68.99692	0.4
69.00873	0.1
69.03336	0.2
69.79240	0.7
71.01254	1.6
72.99184	0.3
73.02821	0.5
74.02351	0.2
80.02561	0.2
83.01253	3.4
83.01721	0.2
83.04869	0.1
85.02821	0.7
87.00761	0.4
88.98690	0.2
89.02317	0.6
91.01775	0.4
93.03339	0.5
95.01241	0.3
97.02831	0.2
98.19834	0.2
99.00785	0.2
101.02312	1.0
103.03889	0.5
107.01266	5.9
107.04905	0.2
108.02071	1.9
109.02866	0.3
109.99981	0.2
111.00743	0.2
113.02334	0.6
117.03337	0.2
119.01273	1.1
119.04900	1.6
120.02085	0.2
121.02829	0.9
123.00772	0.5
123.04433	0.2
124.01543	0.6
125.02325	1.0
130.04153	0.3
133.02852	0.8
134.03638	0.5
135.00824	0.2
135.04393	0.5
136.01558	2.9
137.02330	0.2
138.06746	0.4
143.03284	0.1
145.02837	0.3
147.00752	0.8
147.04430	0.3
148.01480	0.1
149.02339	4.0
150.03046	0.3
151.00267	17.8
152.00633	0.8
153.09102	0.9
156.05745	0.2
158.03607	0.3
159.04434	0.6
160.05208	0.3
161.02382	0.2
161.04352	0.2
162.03070	0.2
163.00233	0.3
163.03865	0.6
163.06058	0.2
164.01054	12.9
164.04689	3.2
165.01569	0.7
165.05214	0.2
169.01344	0.5
169.05025	0.2
169.06493	0.3
170.07246	0.2
171.04425	0.6
172.05107	0.2
175.00272	7.8
175.07562	3.6
176.00819	0.3
176.07857	0.3
177.01860	1.3
177.05400	0.2
178.02148	0.2
179.07033	0.6
183.04414	0.7
184.05222	1.0
185.02299	0.3
186.03136	2.8
187.03903	1.3
189.01840	0.3
190.02634	18.5
191.03065	1.1
193.01216	0.3
194.02019	0.2
196.00052	7.9
197.00407	0.3
197.05995	1.4
198.06789	2.5
199.03970	0.2
199.07611	1.4
200.04631	0.6
201.05496	3.2
202.06293	0.6
203.07095	0.2
205.04993	17.8
206.05367	0.9
208.03644	0.3
209.04466	0.5
211.03946	0.3
213.05391	0.4
215.07129	0.3
217.08591	2.1
221.08221	0.1
223.06024	4.8
223.08078	0.3
224.06451	0.2
225.05528	1.0
225.14877	0.6
226.04924	1.8
226.06451	1.5
227.03485	0.7
227.06659	0.3
228.04210	0.6
229.04964	0.1
241.05077	1.2
241.08672	5.9
242.05907	0.3
242.08997	0.5
243.06567	3.6
244.06964	0.3
251.05533	0.2
255.02971	0.4
255.06590	0.3
256.07355	0.4
257.08133	0.3
259.13278	0.1
265.07120	0.2
267.06580	0.2
268.03696	0.3
269.04492	1.7
270.05301	9.9
271.05841	0.7
283.06076	0.7
283.09000	0.2
284.03265	0.5
284.06818	0.6
285.07651	100.0
286.08008	8.8
297.07559	0.3
299.09134	0.5
309.07687	1.3
325.09390	0.1
327.08719	4.1
328.09045	0.4
339.08728	0.4
357.09857	0.2
367.10379	0.3
369.09659	0.5
387.10858	1.8
388.11703	0.2
429.11832	0.4
431.13474	0.7
437.18402	0.2
447.12732	0.2
461.88409	0.1
473.14536	2.2
474.14871	0.2
521.30072	0.2
563.21588	0.2
578.23383	0.2
593.18536	47.5
593.26337	14.3
594.18762	8.4
594.26770	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	593.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.7
59.01250	69.8
60.01576	1.1
61.60641	0.4
61.98705	3.7
67.13006	0.4
69.31896	1.9
69.32321	1.7
70.05618	0.3
70.85979	0.4
71.01247	3.6
73.02817	1.1
75.00751	0.5
80.79140	0.4
83.01266	0.7
83.24174	0.4
85.02820	1.8
86.00054	0.4
87.04415	0.4
88.35030	0.4
88.98719	0.4
89.02318	1.0
93.03348	0.5
95.01284	0.5
98.19762	0.7
101.02335	1.7
107.04917	0.4
107.40744	0.4
113.02346	0.9
118.42231	0.4
119.01297	0.7
119.04910	0.6
121.02832	0.8
125.02388	0.4
127.43602	0.4
134.03519	0.4
138.65799	0.5
143.04906	0.4
145.02831	1.9
146.03520	0.4
149.02309	1.8
151.00156	0.5
160.03958	0.9
163.03874	0.7
164.04665	2.2
173.02422	1.1
174.03134	10.0
175.00296	4.0
175.03917	3.4
182.77029	0.5
187.11159	0.4
190.02626	12.7
191.03252	0.4
199.07639	0.9
201.09085	1.3
205.05008	11.7
206.02112	5.5
206.05281	0.8
223.06076	3.0
227.07053	4.9
245.08153	100.0
246.08519	7.4
255.02921	0.7
255.16754	0.4
265.10703	0.5
284.03287	0.7
285.04034	3.7
285.07568	1.3
345.30014	0.6
346.16467	0.4
352.68591	0.4
389.19733	0.7
489.34253	3.0
507.35190	0.8
593.15033	2.3
593.25873	12.0
593.33386	3.0
594.17426	0.4
594.26404	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	593.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.3
57.03320	3.2
58.00465	2.5
59.01248	100.0
69.03326	2.2
71.01252	59.4
71.52228	0.8
72.01595	0.9
72.99174	4.1
73.02816	51.7
74.03174	1.2
75.00755	2.3
81.03333	0.8
83.01251	17.5
83.01715	1.0
85.02820	14.6
85.03291	1.3
87.00746	3.9
89.02319	19.8
93.03378	1.0
95.01259	3.5
96.95906	1.0
97.02843	1.7
99.00759	2.3
99.04400	1.0
101.02318	53.5
102.02673	1.4
103.03875	5.7
107.01292	1.0
108.02085	2.4
109.02848	1.9
111.00743	1.2
113.02328	27.4
118.98010	1.1
119.03391	9.3
119.04930	2.2
121.02831	4.2
122.03654	0.8
123.00766	1.9
123.04404	1.6
124.01557	1.3
125.02338	3.6
131.03384	5.0
135.00713	1.1
135.04468	0.7
137.02333	2.9
138.03107	1.1
143.03424	4.2
147.04417	0.9
149.02368	1.4
149.04486	3.2
149.05881	1.2
150.03194	0.7
151.00206	1.4
151.03938	1.2
152.01067	3.2
152.04646	0.8
153.01779	1.9
153.05493	1.8
155.03445	1.9
158.03639	1.3
159.03107	1.0
159.04462	3.6
160.03976	1.1
161.02443	1.4
161.04469	12.4
161.09755	0.6
163.03876	1.4
164.04707	1.0
165.01938	0.9
167.03427	1.1
168.00598	2.1
172.05072	0.7
173.06015	3.6
174.06775	1.1
175.03944	6.9
176.04727	1.1
177.01909	0.8
177.04100	0.7
177.05428	3.4
179.03447	0.9
179.05580	2.8
179.07059	1.3
181.04991	1.2
183.04573	0.9
186.03214	0.8
187.03922	5.8
187.07643	0.9
188.04689	1.1
189.05495	1.4
189.09090	1.3
190.02721	1.7
190.06268	3.7
191.03546	1.1
191.07135	1.9
192.04187	0.8
193.05113	1.1
202.06354	2.5
203.07050	1.2
204.04196	1.1
205.05008	9.2
205.08667	1.9
207.06535	0.7
217.08727	1.2
219.06601	1.8
220.07390	8.9
227.03517	2.7
229.05164	1.2
234.08821	0.9
235.09691	8.2
241.14456	2.7
242.14963	1.5
243.15079	0.9
255.03014	4.1
256.03662	1.1
265.09293	3.9
269.04648	1.1
281.04510	0.7
283.06259	0.8
283.09830	2.0
284.03262	11.5
284.06143	1.1
285.03976	26.2
286.04477	2.3
293.04688	1.2
296.07022	1.1
297.07651	1.2
311.05713	1.9
311.09119	10.7
312.09711	1.2
315.07373	1.6
323.09186	0.8
325.10858	1.0
326.11523	4.4
327.12061	0.8
335.05725	1.4
341.10382	1.4
341.13763	3.2
343.08377	0.8
345.15668	0.8
355.55106	0.8
356.12857	1.8
359.15082	2.2
371.14972	59.0
372.15326	6.6
471.77686	0.8
481.96658	0.7
533.20013	9.9
534.20740	2.0
551.21906	1.9
590.95599	0.7
593.15442	19.1
593.24683	11.0
593.31561	1.7
594.15649	4.0
594.24976	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	593.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52394	0.2
57.03294	0.2
59.01249	1.0
61.98693	0.4
63.02266	0.9
63.85853	0.2
65.00188	3.7
70.34863	0.2
70.35207	0.9
70.63589	0.2
71.01251	0.5
73.00131	0.2
73.02809	0.3
83.01246	3.5
85.02827	0.3
93.03315	0.2
93.70940	0.2
95.01266	0.2
95.59120	0.2
101.02322	0.4
103.03894	0.3
107.01270	5.7
108.02079	1.6
119.01240	0.3
119.04925	1.4
121.02892	0.2
123.00752	0.6
124.01589	0.3
125.02332	1.1
133.02847	0.8
134.03645	0.3
136.01572	2.9
142.01201	0.2
145.02867	0.3
149.02385	0.7
151.00269	17.4
152.00719	0.5
158.03650	0.3
159.04460	0.6
160.05186	0.5
164.01056	12.7
164.04710	0.7
165.01393	0.4
169.01329	0.4
171.04398	0.4
175.00281	1.6
175.07576	3.7
176.07671	0.3
177.01862	1.3
181.06552	0.2
182.07298	0.3
183.04547	0.4
184.05249	0.5
186.03157	2.6
187.03922	0.9
190.02629	2.9
196.00053	6.9
197.06021	0.8
198.06783	2.5
199.03874	0.4
199.07556	1.3
200.04645	0.5
201.05524	3.4
201.72104	0.2
202.06239	0.6
205.05025	3.1
205.06891	0.4
213.05583	0.2
215.07051	0.2
217.08653	2.0
223.06055	0.8
225.05672	1.1
226.06398	2.6
228.04214	0.7
241.05090	1.3
241.08661	5.5
242.05775	0.2
242.08978	0.3
243.06616	2.8
244.06973	0.3
246.64371	0.2
255.03116	0.3
255.06480	0.3
256.07132	0.4
268.03699	0.4
269.04529	1.3
270.05304	9.4
271.05719	0.9
283.06055	0.7
284.06860	0.6
285.07666	100.0
286.08008	8.8
294.05167	0.3
299.09274	0.3
309.07745	1.3
310.07855	0.3
327.08704	4.4
339.08438	0.3
369.09793	0.3
387.10800	2.1
393.10654	0.2
429.11792	0.4
431.13379	0.7
473.14407	2.7
474.14774	0.4
547.45392	0.2
593.18652	60.1
593.25916	3.0
594.18970	10.2
594.33673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.1
59.01255	1.0
61.98716	0.4
63.02268	1.2
65.00187	2.8
68.99696	0.2
69.29051	1.0
71.01247	0.8
73.02824	0.3
75.00773	0.1
80.02570	0.3
83.01250	2.2
83.01717	0.1
85.02847	0.4
87.00745	0.3
89.02319	0.2
93.03368	0.2
95.01285	0.2
97.02847	0.2
98.19762	0.2
101.02352	0.4
102.30495	0.1
103.01765	0.1
103.03925	0.2
107.01262	4.4
108.02059	1.8
111.00772	0.2
113.02332	0.2
114.04979	0.1
117.03348	0.2
119.03526	0.1
119.04902	1.2
121.02834	0.4
123.00787	0.4
124.01546	0.3
125.02328	0.5
131.01299	0.4
133.02881	0.5
134.03685	0.1
135.00809	0.3
136.01543	2.6
136.02554	0.2
137.02299	0.3
139.27104	0.1
143.03429	0.1
145.02885	0.1
147.00690	0.1
148.01585	0.2
149.02332	0.6
150.03085	0.1
151.00262	9.6
152.00801	0.4
156.05724	0.1
158.03615	0.2
159.04428	0.3
160.05194	0.3
161.02322	0.2
163.00290	0.3
163.03864	0.2
164.01053	10.6
164.04716	0.3
165.01588	0.4
169.01343	0.2
169.06560	0.2
171.04408	0.2
175.00256	2.5
175.07542	1.7
176.00642	0.1
176.07898	0.2
177.01826	0.7
178.02589	0.1
183.04391	0.5
184.05226	0.4
185.05807	0.1
186.03130	1.3
187.03868	0.8
188.01068	0.2
188.04802	0.3
190.02611	1.7
191.03125	0.2
193.01396	0.2
196.00053	5.1
197.00443	0.2
197.06013	0.6
198.06772	1.7
199.03932	0.2
199.07579	0.9
200.04683	0.4
201.05486	1.7
202.06226	0.3
203.07050	0.2
205.05031	1.5
205.06929	0.2
206.05435	0.2
211.03954	0.2
213.09137	0.1
215.07031	0.3
217.08641	0.9
219.02823	0.2
220.00079	0.2
223.06023	0.5
225.05510	0.7
225.07460	0.1
226.06317	1.5
227.03456	0.2
227.06525	0.2
228.04173	0.5
237.05560	0.2
241.05020	0.2
241.06067	0.2
241.08641	3.6
241.14366	0.4
242.05608	0.1
242.08977	0.3
243.06580	2.8
244.06975	0.2
255.06618	0.3
257.08243	0.4
265.14169	0.1
268.03784	1.0
269.04315	1.0
269.07181	0.1
269.08127	0.1
270.05319	4.9
271.05661	0.4
271.72223	0.1
281.08157	0.2
283.06100	1.8
284.03458	0.1
284.06494	1.6
285.07648	100.0
286.08011	7.2
293.04694	0.2
294.05322	0.4
299.09192	1.2
309.07648	7.0
310.07950	0.7
312.06335	0.2
327.08704	3.5
328.09030	0.3
339.08603	0.4
345.22815	0.3
351.08655	0.4
464.20779	0.1
593.18390	9.8
593.26227	1.5
594.18677	1.6
594.26440	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72699	0.5
57.03318	0.8
59.01250	5.6
61.98703	1.3
69.55254	3.8
71.01246	5.9
72.99163	1.1
73.02818	1.2
75.00746	0.7
83.01259	0.6
85.02814	2.9
87.00759	0.6
89.02299	1.2
91.05418	0.6
93.03335	17.9
94.03645	0.6
95.01224	0.6
96.99184	3.3
98.20621	0.8
99.00742	0.6
101.02325	1.7
103.03894	2.7
107.04828	0.5
108.02052	2.4
111.00760	0.8
113.02331	1.0
115.00291	3.0
117.03337	2.0
119.04915	23.7
120.05244	1.2
121.02842	10.0
123.04364	0.8
130.04138	2.5
131.04912	5.8
132.05705	1.6
133.02876	1.0
133.06497	1.2
134.03622	1.2
135.04407	2.6
143.04924	8.4
145.02863	3.0
145.06499	6.1
146.06711	0.5
147.04385	2.1
149.02367	1.0
152.01044	0.6
158.03629	1.0
159.04437	3.4
163.03914	11.1
164.04536	0.7
165.05450	0.5
168.03044	0.5
171.04407	4.6
175.00288	0.9
175.03781	0.6
177.05504	5.0
186.36119	0.5
188.04594	0.6
189.05470	0.7
190.02641	1.8
193.06673	0.5
195.08069	1.0
197.06030	1.8
197.30168	0.5
205.04988	1.9
209.06023	0.7
209.09445	0.7
209.84306	0.5
210.06798	10.0
211.07581	33.2
212.07896	2.2
215.03625	1.0
218.35210	0.5
219.08073	3.0
220.08318	0.6
221.07997	0.6
222.06825	1.5
223.07703	5.1
227.03358	0.6
227.75172	0.5
229.14362	0.9
235.07591	7.1
236.08319	2.3
237.09169	43.8
238.09558	5.0
239.10753	8.8
240.10942	0.6
247.07629	0.6
250.06273	1.5
253.08682	4.2
255.03085	0.9
263.07202	2.3
264.07883	4.1
265.08698	15.0
266.09003	1.6
269.04474	0.9
283.09912	0.7
284.03107	1.3
285.03928	3.7
308.06781	1.2
309.07458	3.3
327.08649	0.7
345.23001	0.8
369.22827	0.7
477.15607	0.8
500.87744	0.5
508.17020	0.5
549.29205	1.0
562.05914	0.5
593.16595	100.0
593.30804	6.0
594.16809	17.1
594.26068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13302	0.6
70.81585	1.6
72.53851	0.7
93.03345	1.7
94.53451	0.6
107.01273	1.6
109.02804	0.8
112.33748	0.7
132.02065	1.0
151.00273	2.4
159.04395	1.1
163.00275	2.4
165.86267	0.7
185.06033	2.2
187.03946	2.4
189.05573	1.5
197.06052	0.8
199.04031	0.8
200.04697	0.7
211.03958	1.8
213.05487	2.1
227.03435	25.4
228.03958	1.4
229.05000	10.3
239.03470	1.8
240.04362	0.8
255.02957	46.0
256.03561	6.2
256.61179	0.7
257.04495	5.8
267.02988	0.8
283.02429	0.9
284.03238	57.3
285.04007	87.8
286.04352	5.1
327.05002	1.0
593.15082	100.0
594.15393	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	593.1508
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
52.33418	0.7
70.00345	3.3
93.03341	0.7
98.08864	0.7
98.20507	1.0
117.03351	3.3
135.04408	0.9
145.53297	0.6
145.64963	0.8
161.02309	1.4
163.03908	1.4
171.78967	0.7
175.03944	0.9
177.05508	1.3
191.03447	0.8
203.03436	0.8
280.84460	0.7
281.04321	0.9
282.05157	1.0
283.06091	1.3
295.06021	1.7
296.06961	1.3
297.07635	11.2
298.07925	1.2
307.06088	1.2
309.07663	1.7
311.05624	2.2
323.05527	1.8
324.05783	0.8
325.07199	4.4
328.05679	1.6
335.05432	0.8
337.07135	1.5
353.06631	27.3
354.06934	2.7
356.05594	1.0
365.06659	2.0
383.07730	14.0
384.07819	1.2
395.07538	1.5
410.10410	0.8
413.08438	1.6
457.50513	0.9
473.10806	13.2
474.11108	1.2
503.11993	3.6
593.15088	100.0
594.15454	14.3
614.98456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	0.8
59.01249	14.7
70.09135	0.8
70.09543	0.4
71.01248	7.1
72.99167	0.6
73.02814	0.8
83.01241	0.6
85.02802	1.9
87.00764	0.3
89.02316	3.9
95.01226	0.4
98.20427	0.4
101.02312	3.4
113.02320	2.1
117.03330	9.6
118.03716	0.4
119.03368	1.4
131.01279	2.0
161.02296	0.6
163.03920	0.8
173.02359	5.8
174.02670	0.5
175.00288	8.7
193.06488	0.4
221.06104	0.5
237.05553	0.4
249.05492	0.9
265.05029	1.0
269.04608	1.3
281.04532	1.7
282.05365	0.9
283.06003	2.4
284.06433	0.6
293.04529	100.0
294.04913	7.9
311.05649	6.3
312.05994	0.7
314.04172	0.6
323.05643	1.1
335.05542	0.8
341.06552	0.9
353.06873	0.5
387.16403	0.4
413.08734	63.1
414.09079	6.8
473.10724	2.6
474.10709	0.4
533.26001	2.2
551.27173	0.9
593.15063	24.4
594.15369	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	593.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.1
59.01247	8.5
61.98701	0.5
63.02258	0.8
65.00190	0.8
67.01749	2.2
69.59412	2.1
71.01254	5.0
73.02834	1.8
77.62012	0.3
83.01258	1.3
85.02816	2.3
87.00771	0.7
89.02307	3.2
91.05408	1.2
93.03371	0.4
95.01255	0.6
101.02325	3.3
105.03343	0.4
107.01261	1.9
109.02821	0.9
111.00761	0.5
113.02327	1.7
117.03329	0.6
119.03400	1.0
119.04880	1.0
121.02840	1.4
123.04372	0.6
124.71291	0.4
125.02302	0.6
133.02838	4.1
134.03583	0.5
135.04410	11.1
137.02357	0.4
143.03452	0.6
147.04398	0.9
149.02330	3.1
149.05965	0.4
151.00264	4.2
151.03885	1.1
153.01813	0.4
153.05466	2.8
160.03957	0.7
161.02351	1.4
161.04402	0.8
163.03914	11.5
164.04582	1.3
175.00276	1.9
175.03923	1.9
176.00949	0.5
177.01834	0.5
179.03555	0.7
179.05391	0.6
179.06987	0.4
181.04968	21.4
182.05310	0.8
185.05882	0.4
190.02647	3.9
191.03400	0.5
195.13821	2.0
199.03845	2.1
201.02003	0.6
205.05009	3.4
207.02911	1.6
211.03929	0.5
212.04593	0.6
215.03346	0.6
217.05051	1.3
223.06104	1.0
227.03505	0.7
229.05081	0.5
241.05045	0.8
241.14409	7.9
243.02823	0.5
255.02965	0.5
256.03690	1.2
257.04431	0.7
265.09381	0.4
265.14566	1.8
267.02771	0.5
269.04480	0.4
283.02692	0.6
283.06219	0.3
284.00015	0.7
284.03238	16.4
285.04016	100.0
286.04376	7.2
293.04480	2.2
297.07748	0.4
308.03287	0.6
323.05609	1.3
327.04919	0.5
353.06699	0.7
367.10349	2.7
383.07526	0.4
389.16327	0.4
413.08698	1.0
418.18021	0.4
443.09933	0.8
503.11426	0.4
521.16681	0.8
533.26184	2.1
534.19324	0.4
551.26910	2.1
593.15039	56.6
594.15479	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	593.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.7
63.02288	1.1
65.00204	0.6
69.43048	0.8
69.43453	3.0
83.01256	1.0
89.23596	0.4
98.19791	0.6
107.01289	2.0
109.02856	0.6
110.78245	0.4
121.02879	0.5
132.04440	0.9
133.02844	3.4
134.03607	0.8
149.02351	1.2
151.00276	4.0
152.88474	0.4
167.03459	0.5
168.06569	1.3
169.01411	0.6
171.04384	0.5
175.03899	1.4
199.03979	1.7
200.04620	0.5
201.01852	0.6
211.03975	0.7
215.03397	0.6
216.04239	0.4
217.05042	1.1
227.03435	1.4
237.10275	0.5
239.03320	0.4
241.05080	0.9
243.02902	0.6
255.02895	1.2
256.03668	3.3
259.99808	0.4
267.02942	0.7
269.04474	1.8
269.12747	0.7
278.04245	0.4
283.02463	0.9
284.03253	65.4
285.04010	93.9
286.04361	6.8
309.03989	0.8
311.10538	1.1
313.11932	0.8
327.05078	1.1
357.10910	1.1
429.08490	0.5
447.09567	2.5
540.20355	0.4
561.17108	3.1
593.15063	100.0
594.15430	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	592.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.2
59.01251	61.2
60.01584	2.2
61.98701	78.7
64.46452	1.0
67.01757	26.8
68.99691	5.9
69.03313	1.1
70.26904	2.1
70.27294	2.6
71.01253	5.9
73.02812	2.4
78.22697	0.9
80.96394	3.2
83.01249	1.7
85.02806	6.2
89.02271	1.5
93.03351	1.1
95.01290	1.7
101.02302	2.2
101.05957	1.2
111.00768	2.5
113.02323	2.9
119.04890	1.6
125.02329	1.0
135.04413	1.3
137.05930	1.7
142.77383	1.0
151.00233	1.4
151.11183	2.4
160.03957	11.2
175.04004	1.0
179.03377	1.1
221.16003	1.0
223.07916	1.1
225.00456	1.2
255.02931	1.8
269.04214	2.9
283.06125	1.3
284.03195	3.5
284.06390	2.8
285.03979	6.3
285.07440	1.9
325.51083	1.0
331.19101	5.9
353.06577	2.6
355.19125	6.1
369.20517	1.7
373.20126	3.3
381.20688	5.6
399.21548	7.5
413.08646	1.5
429.90881	1.1
441.22766	7.8
442.23123	2.0
443.20319	1.6
485.21793	100.0
486.22086	16.3
489.34122	1.4
529.20691	5.9
530.21075	1.2
592.24811	4.3
593.15137	14.8
593.26038	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	592.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.6
57.67157	0.3
59.01248	7.6
61.98701	100.0
69.03316	0.3
69.64035	1.2
71.01254	4.7
72.99199	0.6
73.02812	1.5
74.98969	0.5
75.00727	0.3
83.01257	0.9
85.02814	2.5
87.00765	1.2
89.02296	1.9
93.03335	0.3
96.95975	0.3
97.02820	0.4
98.19838	0.5
99.00763	0.5
101.02322	3.3
103.03869	0.3
109.02872	0.3
111.00770	0.4
113.02322	1.9
118.98121	0.2
119.03403	0.6
119.04926	0.5
121.02876	0.4
123.50006	0.3
125.02328	0.4
126.90791	0.3
128.03436	0.3
132.04475	0.4
135.04443	0.7
136.99121	0.4
143.03474	0.3
149.51491	0.3
151.07626	0.5
159.02939	0.3
161.04491	0.9
163.03923	0.6
173.04413	0.3
179.05515	0.3
181.05045	1.0
190.02724	0.3
191.01901	0.3
205.08646	0.4
209.02924	0.3
221.11769	1.8
227.16475	0.5
241.14560	0.6
247.09732	0.3
265.10828	0.3
285.04160	0.5
293.04700	0.6
357.10507	0.3
367.17575	5.0
368.18228	0.4
371.20734	0.3
389.21954	0.8
413.08673	0.6
437.16891	0.3
455.86459	0.3
463.26071	0.3
529.22968	1.3
531.24963	0.5
532.25061	1.1
533.25940	7.1
550.26196	0.8
551.26978	3.3
561.17371	0.8
593.14319	1.3
593.28058	0.8
597.60406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56083	0.1
59.01253	1.0
61.98700	100.0
71.01254	0.3
79.95580	0.2
80.96393	0.7
93.03357	0.2
94.97986	0.2
101.02350	0.2
101.83054	0.1
102.42203	0.2
113.02345	0.2
121.02791	0.2
147.04417	0.2
174.03137	0.3
175.03897	0.8
183.08142	0.2
187.03879	0.8
196.48729	0.2
200.77895	0.2
201.05511	0.3
201.09103	0.2
206.02200	0.2
227.02205	0.6
227.07050	1.4
245.08148	4.6
254.23019	0.2
255.01596	1.3
266.04623	0.3
270.04080	4.4
270.07086	0.2
271.04776	0.2
278.08304	0.3
283.59872	0.2
284.03314	0.4
285.04074	0.6
292.06357	0.4
306.07715	0.4
307.08667	0.5
309.20355	0.2
322.10962	0.7
353.06570	0.3
395.28241	0.3
546.17010	0.2
574.22479	0.2
592.24054	0.8
593.15045	1.1
593.24548	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	592.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31983	0.3
59.01246	3.3
61.98700	100.0
69.92117	1.6
71.01260	0.8
72.99171	0.3
78.95770	5.8
79.92325	0.4
80.96391	1.1
83.38513	0.3
85.02854	0.4
87.04358	0.5
89.02320	0.8
96.96862	0.6
97.85672	0.4
98.02337	0.6
100.03939	0.5
101.02346	1.0
108.95531	0.4
111.57877	0.3
121.02094	0.3
121.02778	1.7
135.04448	0.4
147.04443	0.6
148.72758	0.3
157.06548	0.4
159.04417	0.6
161.02435	0.5
174.03177	0.8
175.03918	6.2
175.07703	0.4
183.08099	0.9
187.03937	3.2
187.07661	0.5
194.62207	0.3
199.07562	0.6
201.05455	2.9
201.09253	0.3
206.02242	0.5
209.04529	0.9
227.07094	6.6
233.11758	0.4
241.60878	0.3
245.08167	14.1
259.09744	0.5
263.09216	2.9
274.35358	0.4
283.06186	0.6
284.03339	0.8
285.03912	1.6
294.21509	0.4
334.05258	0.4
353.06769	1.0
383.07745	0.8
427.57559	0.4
502.71274	0.6
503.21631	0.5
592.24078	0.4
592.40338	0.4
593.15198	3.1
593.24475	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50860	1.1
55.01741	1.3
57.03313	2.6
58.68417	1.1
59.01249	100.0
59.21848	1.2
61.98697	15.5
68.60770	1.1
70.85773	2.8
71.01248	20.3
72.99181	2.5
73.02805	7.2
78.38992	1.1
83.01244	5.7
85.02822	11.5
86.57197	1.1
87.00740	2.5
89.02300	4.4
93.03339	6.7
95.01219	1.9
95.92420	1.3
99.00748	3.7
101.02315	15.8
101.05947	1.6
108.02064	1.4
111.00710	2.4
113.02322	10.0
119.04893	3.0
122.56802	1.2
125.02335	2.0
135.04445	1.5
137.02336	10.6
143.03349	2.0
151.00258	1.4
161.04440	5.6
190.02588	1.6
203.07047	1.2
213.18501	1.7
217.10730	1.8
223.06004	1.4
233.08023	1.6
239.12865	2.3
268.03735	8.6
269.04315	2.5
283.06094	14.7
284.06308	2.2
286.03491	2.5
343.28519	4.0
375.23611	2.1
487.32761	42.4
488.32901	4.8
505.33798	22.6
506.34302	2.7
547.31427	4.1
548.32202	1.8
591.27185	6.1
591.35413	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	592.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.4
61.98701	100.0
67.01746	2.4
67.02011	0.2
68.99706	0.3
69.36386	2.5
71.01256	0.7
72.23912	0.3
75.35150	0.3
80.96408	1.6
83.01262	0.9
85.02837	0.9
89.02316	0.4
94.97969	0.3
98.19753	0.2
107.04877	0.3
111.00770	1.7
113.02355	0.5
114.54700	0.3
121.02929	0.3
125.02438	0.4
139.11180	0.3
147.08023	0.3
164.98491	0.4
166.09332	0.3
225.00798	0.3
255.02951	0.4
269.04495	0.4
283.06003	0.5
284.03375	0.5
284.06494	0.6
285.04160	1.2
285.07526	0.4
295.53809	0.3
331.19003	0.3
355.19211	0.4
373.20135	0.3
381.20731	0.5
397.20135	0.3
399.21906	0.5
441.22729	0.5
443.20688	1.8
485.21844	7.7
486.22052	0.5
529.20795	7.3
530.21246	1.1
592.25110	2.0
592.34100	0.4
593.14929	1.6
593.24274	0.3
593.33838	0.4
599.26984	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03090	1.3
57.03312	3.5
59.01247	100.0
60.01576	2.2
61.98689	5.6
69.03345	1.3
71.01247	15.0
72.99168	2.0
73.02804	4.1
79.59956	1.1
83.01252	3.3
85.02817	7.4
89.02307	5.2
91.11172	1.1
92.34135	1.3
93.06934	1.2
94.06920	1.2
95.01273	1.9
96.95907	1.3
97.02818	2.4
98.20573	2.4
98.82834	1.4
99.00752	2.7
101.02303	9.2
103.03905	1.4
113.02333	8.5
116.92725	5.5
119.04895	2.9
121.02812	2.6
128.03439	1.4
137.02385	1.7
143.03429	1.6
151.11188	1.8
152.01077	1.6
161.04424	4.1
171.10196	1.2
179.05373	1.6
187.11192	2.6
205.04933	1.7
209.84630	1.3
213.18661	1.4
239.12910	1.7
243.16148	1.2
252.10342	1.3
268.03854	6.0
283.06036	9.6
319.89743	1.3
424.06747	1.3
427.21204	1.6
442.80377	1.3
469.22046	1.4
485.21512	1.9
487.32773	26.1
488.33017	6.0
505.33841	10.9
506.34308	2.0
511.35172	1.4
513.20874	5.8
531.22015	1.3
531.31403	1.6
547.31140	1.5
592.28107	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	591.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
59.01250	100.0
60.01581	1.1
61.98702	11.4
68.99672	0.5
71.01261	1.9
72.99183	1.0
73.12939	0.4
75.00773	0.5
80.96426	0.5
83.01260	0.7
85.02847	1.2
86.14066	0.3
87.77152	0.4
88.18120	0.4
89.02348	0.6
91.06393	0.3
93.03350	0.6
95.01217	0.4
98.19762	0.7
101.02328	0.8
101.05949	2.2
111.76527	0.4
113.02337	1.0
136.01541	0.4
161.04442	0.5
171.10143	0.5
201.11322	0.4
205.08534	0.6
209.11821	0.6
231.13885	0.5
241.14468	0.4
267.03046	1.2
268.03714	2.5
283.06082	4.4
293.21387	0.4
343.28754	0.6
387.09100	0.9
388.08734	0.4
487.27042	5.9
488.27371	0.9
505.28275	1.2
517.27570	0.7
545.27258	0.7
546.26886	0.5
547.28015	3.5
574.21948	0.5
591.27484	3.3
591.35962	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2477
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
51.49112	0.6
56.88938	0.4
57.03308	1.3
59.01251	12.6
61.98699	17.8
63.96100	1.4
64.53128	0.5
69.03307	0.7
71.01249	10.0
72.99173	0.8
73.02824	3.1
78.95779	0.6
78.98457	6.6
79.95606	11.7
80.96387	68.7
81.03329	1.1
83.01265	0.8
83.04893	0.6
85.02824	4.2
85.56712	0.6
87.00744	3.1
89.02332	0.8
94.97955	15.1
95.01274	0.9
96.85521	0.5
96.95876	1.5
97.02821	1.9
99.00731	1.1
101.02307	3.4
101.05958	2.4
106.97962	2.1
113.02323	1.9
119.04916	0.6
121.02854	0.8
122.97469	6.9
125.02299	2.8
127.03886	0.7
134.97502	4.5
136.99048	0.9
144.33453	0.5
148.99031	5.5
152.98524	6.7
164.56979	0.6
164.98535	10.3
165.12691	0.9
182.99536	2.5
206.99641	3.9
211.13179	0.6
225.00688	19.0
243.01749	0.8
257.03299	0.6
268.03668	2.7
277.81723	0.6
283.06061	5.3
284.06265	0.5
291.19568	1.2
299.04349	3.3
484.20551	1.1
517.27686	0.8
547.29108	3.8
591.24744	100.0
592.25055	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	591.261
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06106	0.5
59.09347	0.6
71.43598	0.8
71.43958	0.9
80.28982	0.6
101.20792	0.5
106.06479	0.9
142.85167	0.6
150.01216	0.5
257.99634	0.6
443.22299	2.4
445.19955	1.2
455.23062	1.0
456.23392	1.3
457.20609	1.0
459.21817	3.3
460.22302	0.6
471.25696	2.2
472.23340	1.8
473.23566	1.5
482.21011	2.5
485.19681	3.3
487.25211	4.0
488.22415	0.7
496.21881	0.9
497.23495	3.9
498.23987	0.7
499.21414	4.7
500.22147	14.8
501.22562	2.5
514.23682	1.0
515.24493	100.0
516.24799	17.7
518.22791	0.7
559.23358	3.0
560.24219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27622	0.8
55.01634	1.1
55.22576	0.7
57.03152	3.3
57.03474	3.3
58.00299	2.4
58.00621	3.1
59.01065	16.0
59.01406	20.1
59.13055	0.7
61.98538	1.5
61.98836	1.6
69.55391	1.6
69.55708	5.2
71.00987	7.3
71.01436	12.7
72.98933	1.6
72.99352	2.1
73.02540	2.8
73.03002	4.7
75.00501	0.8
75.00874	0.8
78.96844	0.6
79.38793	0.7
80.73359	0.6
83.00920	1.1
83.01456	3.2
84.01691	1.7
84.02230	3.1
85.02454	7.4
85.03030	19.7
87.00961	2.5
87.04559	0.7
88.98837	1.0
89.01917	2.5
89.02530	7.4
93.03482	1.7
95.01425	1.4
97.02979	1.1
97.06721	0.8
99.00345	0.9
99.00903	1.2
99.04005	0.7
99.04572	1.5
101.01817	1.9
101.02557	7.9
102.02873	0.8
103.03352	9.7
103.04117	39.4
104.04475	0.9
107.08733	1.0
108.02277	2.1
109.03006	1.6
109.06712	1.0
111.01012	2.6
113.01717	1.1
113.02575	5.0
113.06173	0.8
119.03645	3.9
119.05197	2.2
120.99741	1.2
121.02258	1.2
121.03105	2.1
123.04621	1.0
123.08198	0.7
125.02511	1.3
125.06236	3.3
135.04616	1.4
137.02542	1.2
143.03583	0.8
145.05156	1.4
148.09019	0.8
149.02637	2.3
151.00490	1.4
151.04094	0.8
151.07837	4.9
152.01251	2.3
153.02054	1.2
159.03026	0.8
160.04152	1.4
161.02542	1.0
161.04724	1.7
163.04106	1.5
164.04898	1.5
165.02031	0.9
175.00423	1.1
175.04076	0.9
177.12923	0.7
179.05798	0.9
179.07217	0.9
179.14601	1.1
181.05278	1.4
181.16071	1.5
190.02658	3.7
191.14622	2.1
191.34367	1.0
201.11449	1.6
205.05313	3.6
207.14099	1.7
209.15384	10.3
212.98807	0.8
215.14571	1.7
219.14183	1.3
223.06377	2.3
229.05437	0.9
231.14220	0.9
233.15718	2.2
235.13643	2.6
237.15143	1.4
247.08382	1.7
253.12018	1.1
253.14400	19.8
254.14978	1.4
255.00485	0.9
255.03146	1.6
265.06686	0.9
265.09259	20.6
265.14505	1.2
267.16229	1.2
268.04028	1.2
269.04791	2.3
271.06335	1.3
277.14389	8.8
283.02927	1.0
283.06241	1.7
285.04230	1.3
289.14746	2.9
295.15762	2.1
297.12030	1.0
300.03012	0.9
325.09500	0.9
343.25034	1.0
377.96204	0.7
409.17181	0.7
463.24942	0.9
471.22388	1.9
487.25446	1.1
501.23370	100.0
502.23834	10.0
505.27054	0.8
513.23267	3.3
531.24011	5.9
531.32239	3.9
537.23279	3.3
547.27692	2.6
549.29382	1.9
555.24316	2.0
591.26385	49.7
592.26825	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	591.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01585	1.1
61.98708	3.9
67.01760	1.2
67.24297	0.8
68.99677	3.1
69.03315	2.1
71.01257	7.0
72.99176	2.5
73.02811	1.2
75.00766	0.8
80.16167	0.7
80.28486	0.6
83.01250	3.0
83.04908	0.8
84.55276	0.8
85.02818	4.8
87.00737	0.8
87.04397	0.9
88.98656	1.3
89.02319	1.4
93.03341	1.2
93.21555	0.8
95.01270	2.5
95.04894	1.1
95.08550	0.8
97.02827	4.4
99.00749	1.4
99.03618	0.8
101.02313	2.3
107.04904	1.1
111.00753	3.3
113.02317	3.1
116.27409	0.7
119.04922	2.7
121.02829	1.8
135.04425	1.3
137.05983	4.1
149.02333	1.3
149.09642	1.2
151.00209	1.4
151.11198	6.0
161.02481	0.9
161.04417	0.9
163.03899	1.0
165.01743	0.9
171.10225	1.8
177.05478	1.2
178.05739	0.9
201.11186	1.1
212.88814	0.8
239.12877	1.8
247.09647	1.5
268.03888	6.7
269.04361	1.2
283.06094	9.1
285.07254	0.8
325.11743	1.3
333.20511	1.4
373.20132	3.5
377.19699	6.8
381.20520	1.6
409.20300	1.5
415.21280	1.3
419.21024	1.7
423.21509	1.4
427.21176	8.3
434.10883	0.9
441.22870	1.1
457.22311	1.8
469.22324	10.8
470.22589	1.8
471.20273	1.9
485.21918	6.8
487.23505	1.6
487.32480	2.6
513.21277	26.9
514.21509	3.4
531.22388	8.3
532.22339	1.8
590.39185	1.2
591.23169	0.8
591.39984	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	591.236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48449	59.6
56.14924	57.9
59.01237	65.8
61.98708	59.9
66.00669	58.7
71.01592	100.0
79.70133	56.9
88.86225	51.2
94.79318	54.1
98.19777	62.0
98.20403	66.7
129.08070	58.3
337.52594	64.4
403.70657	54.3
469.31503	61.0
488.15445	57.7
532.89612	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04367	21.1
59.01249	98.8
61.98696	100.0
71.01337	46.0
78.95743	29.0
82.08962	17.6
98.20081	29.5
100.62240	17.9
133.04884	18.8
179.43953	20.3
216.09677	18.6
224.78201	20.8
236.62462	21.8
265.74844	17.5
268.03705	54.4
283.05963	47.1
374.36475	19.5
591.23700	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	591.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01585	1.1
61.98708	3.9
67.01760	1.2
67.24297	0.8
68.99677	3.1
69.03315	2.1
71.01257	7.0
72.99176	2.5
73.02811	1.2
75.00766	0.8
80.16167	0.7
80.28486	0.6
83.01250	3.0
83.04908	0.8
84.55276	0.8
85.02818	4.8
87.00737	0.8
87.04397	0.9
88.98656	1.3
89.02319	1.4
93.03341	1.2
93.21555	0.8
95.01270	2.5
95.04894	1.1
95.08550	0.8
97.02827	4.4
99.00749	1.4
99.03618	0.8
101.02313	2.3
107.04904	1.1
111.00753	3.3
113.02317	3.1
116.27409	0.7
119.04922	2.7
121.02829	1.8
135.04425	1.3
137.05983	4.1
149.02333	1.3
149.09642	1.2
151.00209	1.4
151.11198	6.0
161.02481	0.9
161.04417	0.9
163.03899	1.0
165.01743	0.9
171.10225	1.8
177.05478	1.2
178.05739	0.9
201.11186	1.1
212.88814	0.8
239.12877	1.8
247.09647	1.5
268.03888	6.7
269.04361	1.2
283.06094	9.1
285.07254	0.8
325.11743	1.3
333.20511	1.4
373.20132	3.5
377.19699	6.8
381.20520	1.6
409.20300	1.5
415.21280	1.3
419.21024	1.7
423.21509	1.4
427.21176	8.3
434.10883	0.9
441.22870	1.1
457.22311	1.8
469.22324	10.8
470.22589	1.8
471.20273	1.9
485.21918	6.8
487.23505	1.6
487.32480	2.6
513.21277	26.9
514.21509	3.4
531.22388	8.3
532.22339	1.8
590.39185	1.2
591.23169	0.8
591.39984	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	591.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.7
63.02282	0.2
65.00240	0.2
71.49710	0.1
73.02816	0.2
83.01275	0.3
85.02831	0.2
86.83546	0.1
89.02309	0.1
93.03339	0.1
99.00729	0.1
101.02332	0.2
103.03853	0.1
107.01261	0.4
111.00716	0.1
113.02305	0.1
117.03393	0.2
121.02831	0.1
137.02328	0.2
143.03410	0.1
148.01546	0.2
149.02240	0.1
149.99471	0.2
151.00279	0.9
163.03883	0.1
164.04700	0.1
167.04948	0.1
169.01291	0.1
171.04454	0.2
172.05197	0.2
175.00238	0.1
184.05197	0.1
190.02576	0.5
195.04454	0.2
196.05219	0.2
199.03836	0.1
200.04657	0.2
205.05066	0.4
211.03992	0.4
212.04666	0.3
223.04010	0.1
223.06012	0.2
224.04715	0.2
239.03447	1.1
240.04225	1.6
241.04668	0.1
252.04202	0.1
265.07010	0.1
267.02933	0.6
267.05722	0.1
268.03748	62.6
269.04095	4.8
281.04636	0.2
283.06094	100.0
284.06436	8.5
501.23434	0.2
531.32166	0.1
547.21423	0.1
591.24890	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.7
63.02015	0.1
63.02286	0.3
64.99897	0.1
65.00237	0.2
67.08942	0.1
71.01253	0.5
71.29394	0.1
73.02824	0.4
83.01278	0.2
85.02821	0.4
87.00759	0.2
89.02304	0.5
91.01763	0.1
93.03323	0.4
101.02335	0.5
103.03865	0.4
107.01255	0.4
113.02341	0.1
115.03885	0.1
117.03352	0.1
118.11974	0.1
119.01192	0.1
119.03369	0.2
119.23891	0.1
121.02792	0.1
131.03371	0.1
137.02310	0.6
141.91412	0.1
143.03404	0.3
148.01540	0.2
149.99481	0.2
151.00275	0.7
163.06027	0.4
164.04634	0.1
169.01350	0.1
171.04416	0.3
172.05154	0.2
175.00279	0.1
184.05174	0.2
190.02554	0.4
195.04424	0.2
196.05223	0.3
199.03943	0.1
200.04710	0.3
205.04994	0.6
205.07133	0.2
211.03905	0.4
212.04741	0.3
223.06064	0.2
224.04512	0.1
239.03401	0.9
240.04210	1.5
241.04700	0.1
267.02936	0.7
267.06555	0.3
268.03741	62.6
269.04077	4.7
281.04532	0.6
282.05148	0.1
283.06088	100.0
284.06427	8.5
284.09744	0.1
290.05594	0.1
296.06708	0.1
297.07657	0.2
304.67450	0.1
305.08380	0.1
325.07138	1.5
326.07590	0.2
367.10449	0.1
391.85837	0.1
471.13046	0.4
591.16772	0.5
592.16986	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	591.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38998	0.1
51.88334	0.1
55.79296	0.1
57.03311	0.1
59.01253	1.3
60.99193	0.1
61.98690	0.2
63.02247	0.4
64.99894	0.2
65.00250	0.3
69.40756	0.5
71.01247	0.5
72.99191	0.1
73.02827	0.2
73.50423	0.0
77.72867	0.1
81.62149	0.1
83.01235	0.4
84.62186	0.1
85.02824	0.3
87.00742	0.2
87.11524	0.1
88.98661	0.1
89.02316	0.3
91.01753	0.1
93.03345	0.2
98.19653	0.1
101.02317	0.3
103.03905	0.2
107.01250	0.5
113.02330	0.2
117.03377	0.2
119.03387	0.1
119.04970	0.1
121.02819	0.1
137.02339	0.4
143.03439	0.1
148.01579	0.2
149.02344	0.1
149.99467	0.2
151.00255	0.8
152.06966	0.1
163.03810	0.1
167.05031	0.1
169.01291	0.1
171.04401	0.3
172.05188	0.3
175.00325	0.1
184.05238	0.2
190.02585	0.4
191.03140	0.1
195.04440	0.2
196.05257	0.3
199.03850	0.1
200.04674	0.3
201.11049	0.1
205.05038	0.5
205.06792	0.1
211.03917	0.5
212.04663	0.2
223.04137	0.1
223.06081	0.2
224.04652	0.1
227.03580	0.1
232.03784	0.1
239.03400	1.2
240.04196	1.7
241.04715	0.2
265.09290	0.1
267.02963	0.6
268.03745	65.1
269.04092	5.7
281.04556	0.2
283.06094	100.0
284.06433	9.1
325.09402	0.1
367.10135	0.1
381.82263	0.1
399.83710	0.1
501.23285	0.2
531.31354	0.2
547.20801	0.2
591.24152	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15346	0.4
57.03318	6.2
59.00959	0.6
59.01246	9.6
60.01573	0.7
61.98698	0.9
62.87946	0.3
63.02269	0.5
65.00195	0.4
69.03316	0.4
70.43923	0.3
70.78283	0.8
70.78664	0.9
73.02821	1.4
75.00728	0.6
77.40170	0.4
79.54830	0.4
83.01250	1.6
85.02821	3.0
87.00731	0.7
89.02302	1.2
93.03333	2.0
95.01256	0.5
97.02833	0.6
99.00767	0.5
99.04391	2.1
101.02327	3.9
101.05666	0.4
107.01286	2.0
108.02081	1.1
109.02858	0.8
111.00761	0.6
113.02312	1.4
119.03417	0.6
121.02782	0.8
123.04326	0.6
125.02356	1.4
132.02087	1.1
134.03629	0.4
135.00760	1.7
137.02264	0.6
137.06027	0.6
143.04892	0.9
145.02896	0.9
151.00262	2.5
152.00996	0.5
153.01775	0.6
157.06520	0.7
159.04425	0.9
161.02155	0.4
161.04420	1.1
163.00262	2.3
164.01059	0.7
165.01797	0.5
169.01210	0.5
169.06454	0.8
175.03934	0.5
183.04353	0.4
185.06006	1.3
187.03932	2.1
189.05446	1.0
190.02644	0.4
195.04446	0.6
197.05923	0.8
199.03915	0.9
200.04652	0.4
205.04994	0.6
209.15242	0.5
211.03917	1.4
213.05455	2.0
215.03413	0.4
223.06189	0.5
223.13351	0.7
227.03436	25.2
228.03876	1.5
229.05017	10.2
230.05460	0.8
239.03465	1.7
241.05003	1.6
241.14406	2.0
243.03004	0.5
250.98663	0.4
253.14342	1.1
255.02959	55.0
256.03516	6.2
257.04535	6.9
267.03003	1.3
280.61572	0.5
283.02460	1.0
283.15359	0.8
284.03253	92.8
285.03998	100.0
286.04373	6.8
299.05893	0.5
385.18637	1.3
386.18985	1.8
387.19223	1.3
447.09293	36.2
448.09512	3.9
464.67697	0.5
489.10367	51.3
490.10776	5.7
529.13513	18.2
530.13727	2.8
531.10931	1.1
548.23956	0.7
549.24506	1.7
591.13263	8.9
591.30090	1.0
592.14087	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	590.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19097	0.6
59.01249	40.5
60.01586	4.7
61.01678	4.3
61.98701	100.0
71.01247	2.2
72.51156	0.5
74.49859	0.6
79.48640	0.6
83.01231	0.7
89.02326	1.6
90.73127	0.7
99.04430	0.8
101.02322	1.7
113.02339	1.2
118.48330	0.6
121.10161	1.5
122.10442	0.7
140.33374	0.6
151.59259	0.6
161.04443	1.1
169.80400	0.6
171.10143	4.7
172.10477	1.9
207.75949	0.6
209.11795	1.0
247.09377	0.7
253.09343	6.1
254.09657	1.2
268.03696	1.2
275.20108	3.4
276.20444	3.9
283.06229	1.7
293.21219	12.6
294.21548	10.8
433.13712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06528	0.2
55.53588	0.2
59.01249	7.2
60.01584	1.0
61.01674	0.8
61.98699	100.0
62.47445	0.2
64.91209	0.2
67.01766	0.3
71.01257	0.4
71.39514	0.5
83.13358	0.2
90.97992	0.2
97.20379	0.2
101.02306	0.3
101.05946	1.8
102.06303	0.4
107.59906	0.2
111.00756	0.3
121.34840	0.2
128.81528	0.3
147.26436	0.2
245.08170	0.3
268.03821	0.5
283.06140	0.6
293.21695	0.2
508.24869	0.2
545.26953	0.4
546.26837	1.2
591.23322	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.2
59.01252	4.1
61.98701	100.0
62.98394	0.2
69.03313	0.1
69.27782	1.4
71.01254	2.1
71.89726	0.1
72.01609	0.2
72.99174	0.3
73.02814	0.8
74.02352	0.2
75.00746	0.2
80.10135	0.1
83.01246	0.3
85.02820	1.5
87.00758	0.4
88.98722	0.1
89.02314	1.4
89.85561	0.1
93.03364	0.4
95.01274	0.2
96.95874	0.3
99.00758	0.2
99.04340	0.2
101.02329	1.2
103.03864	0.2
107.04955	0.2
108.02048	0.2
109.02856	0.2
111.00764	0.3
113.02309	0.9
119.03394	0.5
119.04868	0.2
120.01165	0.2
121.02855	0.2
125.02340	0.3
129.01874	0.2
133.02858	0.2
135.02931	0.1
135.04436	0.2
136.07437	0.1
137.02379	0.4
143.03362	0.2
149.02365	0.3
149.04602	0.2
151.00298	0.2
151.03740	0.2
160.03983	0.3
161.02267	0.1
161.04486	0.5
161.09749	0.1
163.03897	0.2
164.07086	0.2
165.05557	0.1
167.03384	0.2
175.03944	0.2
179.05594	0.4
187.11302	0.2
189.09203	0.2
190.02754	0.2
195.13872	0.2
196.53874	0.1
203.03682	0.1
205.05093	0.2
205.12282	0.2
223.13387	0.2
239.12910	0.2
240.13275	0.2
241.14568	0.4
251.11369	0.3
255.02957	2.0
255.05075	0.2
265.09451	0.4
269.04666	0.4
271.09949	0.2
283.02457	1.8
283.05637	0.2
284.03387	0.6
285.04050	2.3
314.10150	0.1
327.05154	0.2
341.10706	0.2
351.11880	0.2
385.12836	0.2
397.19647	0.2
401.72086	0.2
431.09912	0.2
447.09271	0.7
531.24683	0.3
549.25677	0.2
590.18756	0.2
590.32239	0.8
591.13922	0.5
591.23315	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60159	0.2
55.01738	0.2
57.03312	0.2
59.01251	5.7
61.98700	100.0
67.01758	1.3
68.99701	0.9
69.03313	0.3
69.23370	2.2
71.01254	0.8
73.02824	0.3
83.01258	0.6
85.02823	6.0
87.00774	0.3
95.01273	0.3
95.04833	0.2
95.41570	0.2
98.20518	0.4
101.02335	0.3
101.05972	0.4
111.00755	1.8
116.04993	0.2
119.04933	0.5
130.00639	0.2
135.04398	0.4
137.02332	0.2
138.03111	0.2
151.00281	0.3
160.03940	4.6
160.05142	0.3
161.04367	0.4
171.09991	0.2
209.11839	0.5
211.13289	0.2
240.70013	0.2
265.67401	0.2
268.03864	0.7
272.05746	0.3
283.06119	0.9
289.14621	0.4
366.08279	0.4
391.59540	0.2
397.59445	0.2
437.20374	0.2
441.19217	0.4
441.67603	0.2
483.20279	4.4
484.20929	0.7
526.26984	0.2
527.19226	5.2
528.19714	0.6
531.22546	0.7
546.24750	0.8
547.24042	0.3
558.23877	0.4
590.22736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.2
58.85716	1.3
59.01250	42.6
60.01568	1.5
61.98702	100.0
67.01753	14.9
68.99678	11.4
69.03309	1.8
69.45766	8.6
69.46170	4.1
71.01249	9.9
72.99176	4.7
73.02809	3.0
78.95747	1.6
78.98466	2.0
79.95604	4.7
80.96370	19.4
83.01253	2.2
83.04861	1.9
85.02824	25.6
89.02290	1.8
94.97968	5.2
96.95892	2.1
97.02821	2.2
99.00802	1.5
101.02296	4.2
101.05958	12.0
102.06305	3.3
109.06435	1.5
113.02327	3.3
119.04845	2.0
125.02291	2.0
135.04401	1.9
139.34047	1.8
148.98991	2.4
152.98486	1.8
160.03836	1.7
164.98596	2.4
171.10091	2.4
175.11234	1.8
193.10149	1.8
209.11765	3.4
225.00702	6.0
265.09311	2.0
268.03754	6.7
283.06058	5.6
289.14444	3.5
311.20230	1.6
371.18933	1.8
393.19025	2.1
394.19324	3.9
439.21539	1.8
441.18887	3.0
444.20987	2.0
447.30899	2.0
483.20184	81.0
484.20581	11.9
516.26923	2.2
527.19250	3.0
544.25916	2.2
546.26227	3.6
554.91089	1.8
568.53455	1.9
590.14056	2.0
590.27069	4.6
591.24872	32.6
591.33954	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	589.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.4
58.00470	1.9
59.01244	6.1
67.01746	0.9
69.03310	0.3
70.85938	0.5
71.01248	2.1
71.04895	0.3
72.99181	0.5
73.02813	5.3
83.04890	45.3
84.02026	0.5
84.05229	0.9
85.02812	0.4
85.06463	0.4
87.04381	0.3
95.04890	0.2
97.06456	2.6
98.03603	0.3
99.04401	0.2
101.05955	26.9
102.06316	0.8
113.43615	0.2
128.42290	0.1
135.24207	0.2
138.06795	0.2
166.34990	0.2
173.09644	0.3
259.09595	0.3
316.64008	0.2
329.24857	0.2
341.40717	0.2
343.26364	0.4
355.26126	0.3
357.24390	0.7
367.26285	0.3
369.27841	0.4
370.28647	0.3
371.25702	1.0
371.29849	0.2
373.27368	1.7
381.28003	0.7
383.25543	0.4
385.27304	0.6
387.29031	2.8
388.29269	0.3
389.30637	0.4
393.27933	0.6
397.27182	0.3
399.28961	2.9
400.29324	0.4
401.30573	0.3
403.28409	0.3
405.30078	0.6
407.31775	0.3
409.27765	0.2
411.29099	2.7
412.29327	0.5
415.28641	0.3
417.30139	2.0
418.30200	0.4
419.31683	0.3
429.30029	1.8
430.30475	0.3
431.27808	0.3
439.32523	0.2
447.31158	0.7
455.27966	0.2
457.33136	4.9
458.33273	0.8
469.33340	0.3
470.33994	0.2
471.34711	3.5
472.35239	0.3
483.34778	6.3
484.35150	1.1
495.34723	1.6
496.35608	0.2
499.34433	0.4
501.35870	1.8
502.36102	0.5
513.35828	1.7
514.36163	0.5
529.35034	0.3
531.36841	100.0
532.37189	18.9
553.39026	0.7
554.39447	0.2
571.40063	0.2
589.41028	10.6
590.41229	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	44.4
60.90667	2.5
61.98703	77.2
67.01761	4.0
70.25327	11.5
71.01248	12.8
72.99176	8.4
73.02803	4.4
75.00747	3.8
80.96379	5.7
83.01262	5.8
85.02814	5.0
87.00764	3.8
89.02319	5.2
97.42705	2.7
101.02311	8.5
101.05950	18.8
102.91209	2.8
110.05083	2.2
111.00100	2.6
111.00758	17.8
112.68762	2.2
113.02253	3.7
119.04906	3.2
161.04443	3.5
171.10124	3.9
172.10324	3.3
173.88029	2.6
195.13850	6.2
201.07608	2.5
209.11754	9.5
223.13258	3.6
253.09306	35.2
275.20074	7.8
293.21213	100.0
294.21533	9.5
317.05481	3.4
348.96234	3.5
545.26611	6.5
545.34253	5.0
589.26654	9.6
589.35663	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	589.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44136	0.8
59.01246	15.4
59.03656	0.8
60.10463	0.9
61.98708	1.2
64.78040	0.8
71.01251	2.1
71.44077	1.1
73.02797	0.8
89.02321	2.8
92.24363	1.0
101.02332	2.4
113.02339	1.4
119.03399	1.7
123.58781	1.0
161.04514	1.3
189.23694	0.9
197.11780	1.0
223.13344	3.3
235.08273	1.5
253.09270	13.0
293.24860	100.0
294.25140	9.6
316.73373	0.9
420.35202	0.9
531.37073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.5
58.00466	1.9
59.01253	6.3
60.01556	0.1
61.98708	0.2
67.01753	0.8
69.03306	0.3
69.83390	0.5
69.83791	0.3
71.01255	2.1
71.04891	0.3
72.99171	0.5
73.02817	4.4
75.00738	0.5
81.03287	0.1
83.04896	43.2
84.02048	0.3
84.05219	1.1
85.02824	0.4
85.06475	0.3
87.04414	0.3
95.04891	0.2
97.02839	0.2
97.06468	3.2
99.04418	0.3
101.05961	28.3
102.06299	0.6
102.54987	0.2
113.05923	0.2
114.02895	0.1
127.41548	0.1
135.08040	0.2
138.06744	0.3
165.12740	0.2
173.09622	0.2
187.11261	0.3
191.08124	0.1
194.36958	0.2
315.23117	0.2
329.24796	0.3
343.26395	0.4
355.26334	0.4
357.24484	0.7
361.27704	0.2
363.26587	0.2
365.24857	0.2
369.27921	0.6
371.25659	0.8
371.29831	0.2
373.27325	1.5
374.27664	0.2
381.27896	0.8
383.25552	0.3
383.29785	0.2
385.27582	0.4
387.24988	0.1
387.29013	3.0
388.29318	0.4
389.30469	0.3
391.28494	0.2
393.27933	0.5
397.27112	0.3
399.28995	2.9
400.29239	0.4
401.30554	0.4
403.28787	0.2
405.29971	0.6
407.31702	0.3
409.27325	0.1
411.28992	2.3
412.29358	0.4
413.26678	0.1
415.28494	0.3
417.25732	0.2
417.30295	2.1
418.30569	0.3
419.31512	0.2
425.27054	0.2
427.27872	0.2
429.30200	2.0
430.30542	0.4
431.27942	0.3
433.29373	0.4
445.29422	0.2
447.31036	0.6
455.27817	0.2
457.33209	4.8
457.39774	0.2
458.33850	0.7
469.32867	0.2
471.34805	3.5
472.35156	0.5
481.33160	0.2
483.34775	6.0
484.35217	0.8
495.34653	1.6
496.35162	0.4
499.34216	0.4
501.35934	2.0
502.36246	0.3
513.35980	1.9
514.36334	0.2
529.35321	0.3
531.36865	100.0
532.37238	17.4
541.38647	0.2
553.38916	0.8
554.39154	0.2
589.41083	10.2
590.41534	2.0
616.29236	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65479	0.9
54.33197	0.8
56.43744	0.9
57.03291	1.2
59.01247	32.1
61.98706	10.5
63.63203	0.9
71.00457	1.2
71.00824	1.6
71.01254	6.8
71.04881	2.1
73.02811	1.8
73.21660	1.0
77.39824	0.8
83.01250	0.9
83.04890	1.3
85.02811	2.2
87.00750	1.1
89.02322	6.2
95.01301	1.1
101.02335	6.1
113.02340	3.7
125.09571	0.9
130.73332	1.0
161.04454	2.7
171.10167	1.6
174.03140	1.8
175.03970	0.9
200.03175	1.0
202.06415	0.9
209.11774	5.6
223.17006	1.5
231.21255	1.2
235.08200	1.7
235.17020	18.7
236.17278	1.6
253.09238	25.7
254.09377	1.5
259.09821	2.3
275.20169	25.1
276.20413	2.0
287.16614	1.3
293.21216	100.0
294.21564	8.7
301.25894	0.9
461.12576	1.1
571.33545	1.0
589.24933	1.0
589.34595	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83599	4.2
57.03326	26.9
59.01246	49.7
59.56131	5.4
61.98704	21.2
64.77973	4.5
67.01772	4.5
68.99683	4.7
71.01260	10.6
71.29416	5.0
72.99174	23.1
73.02837	4.8
81.96518	3.6
81.99741	3.6
85.02839	11.5
85.06475	16.4
101.05959	39.2
108.69202	4.4
113.02325	5.6
115.31661	3.9
118.70474	4.4
135.18909	4.1
143.10680	14.9
150.17087	5.9
163.45782	4.0
163.55705	4.3
167.97908	4.2
187.01282	3.9
195.17416	14.7
244.60229	4.4
281.24911	11.4
297.27881	6.1
341.26926	100.0
342.27219	11.2
365.27011	5.4
393.19189	15.5
443.20984	5.9
515.26624	6.8
543.25977	16.7
544.26862	5.2
545.26898	24.4
589.26526	23.6
590.26868	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	589.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.5
57.57819	0.4
58.00462	2.0
59.01249	10.0
61.98676	0.4
65.03830	0.3
67.01765	0.7
69.03322	0.7
71.01249	6.5
71.52795	0.6
72.01607	0.5
72.99174	2.5
73.02814	8.3
75.00742	100.0
76.01073	0.8
78.95737	0.6
81.03335	0.9
83.01231	0.4
83.04892	42.9
84.02057	0.4
84.05238	1.9
85.02810	1.0
85.06463	0.7
87.04378	0.8
87.38902	0.3
89.02303	3.8
93.03329	0.4
95.04949	0.5
97.06467	3.5
99.04429	0.5
101.02313	2.0
101.05958	34.8
102.06294	1.9
103.06420	0.5
113.02317	1.0
119.03384	1.5
124.05177	0.4
129.27022	0.3
131.36909	0.4
143.03374	0.5
152.99426	1.0
271.25150	0.4
272.23190	0.4
277.21762	1.2
279.22903	0.5
298.26590	0.4
343.26382	0.4
355.26291	0.5
369.27823	0.6
371.25845	1.1
372.26434	0.4
373.27362	1.6
374.27905	0.6
374.32312	0.3
381.27972	0.6
385.27417	0.6
386.28101	0.5
387.29047	2.5
388.29260	0.4
391.30847	0.4
393.28189	0.5
399.28983	2.7
400.29150	0.4
401.31125	0.5
403.28098	0.4
405.29803	0.6
408.31454	0.7
409.31433	1.4
411.29004	2.2
412.29755	0.4
417.30142	2.0
421.30240	0.4
427.32904	0.5
429.30124	1.7
431.27698	0.7
457.33133	5.3
458.33560	2.9
459.33914	5.2
469.32538	0.3
471.34753	3.7
472.35040	0.6
483.34781	6.5
484.35162	0.8
495.34851	1.3
497.35486	0.4
498.36310	0.4
499.35501	0.6
501.35861	2.7
513.35797	1.5
514.35944	0.6
515.36780	0.7
531.36859	93.1
532.37207	11.0
539.36658	0.6
540.37634	2.2
541.38007	9.7
542.38599	0.4
553.38904	0.7
558.38861	0.4
559.39154	1.4
571.39764	0.6
589.40759	14.7
590.41461	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	589.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84916	1.4
57.03323	6.1
57.97756	1.4
59.01249	44.9
69.03342	7.4
71.01242	4.7
72.99192	3.2
73.02831	2.5
85.02838	2.8
87.00748	6.3
87.04401	11.3
97.02818	8.8
98.19727	2.5
101.02290	2.4
115.03874	2.9
311.67487	1.7
327.08655	1.5
337.21661	2.8
365.21295	4.2
381.24304	4.1
425.23331	100.0
426.23624	16.7
469.22290	93.5
470.22629	15.1
485.25278	7.0
529.24408	66.7
530.24762	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	589.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.3
65.48115	0.2
71.58848	0.2
72.99175	1.7
75.00740	100.0
76.01068	1.3
89.02337	0.2
90.46429	0.2
192.51045	0.2
229.66670	0.3
277.21780	0.3
551.40912	0.2
559.44232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2654
Annotation	16alpha-Acetoxycalactin
Peak:m/z	Relative Intensity
54.59044	0.7
55.01747	2.4
57.03323	9.2
59.01252	23.8
61.79804	0.7
61.98705	18.1
66.66510	0.7
67.01747	2.0
68.99688	3.1
69.03325	6.2
69.71857	4.6
71.01247	8.8
71.04890	2.2
71.24213	0.7
72.24176	0.8
72.99178	26.1
73.02813	3.1
75.00750	2.2
78.58747	0.8
81.03326	0.9
83.01263	3.4
83.04913	2.1
84.02045	1.0
85.02820	14.7
85.06454	0.9
87.00775	0.9
87.04389	0.8
89.02365	1.8
91.05392	1.8
93.03320	1.6
95.01276	2.9
95.04896	6.6
97.02830	4.1
97.06443	1.8
98.03645	1.1
99.00751	3.3
99.04369	1.1
101.02330	3.3
101.05962	100.0
102.06299	3.3
107.04901	3.3
108.02068	1.1
109.02894	1.6
109.06468	11.3
109.16998	0.8
111.00777	3.8
112.01606	1.2
113.02340	11.7
113.05947	3.2
121.02818	0.7
121.06439	1.0
123.04427	1.3
123.08065	1.3
125.02322	2.1
125.05943	0.8
125.09618	1.0
129.01765	0.9
133.06516	1.1
135.04329	1.3
135.08032	2.1
137.06012	1.2
137.09627	0.8
144.00549	1.5
147.08096	1.6
149.09726	1.4
151.03973	1.0
152.01117	1.1
153.09093	0.8
161.09549	1.1
171.07840	1.0
171.10201	1.2
171.11662	1.0
173.13379	0.8
175.11157	1.4
177.12880	0.9
187.07655	0.9
187.11159	0.9
189.12813	1.8
199.13243	1.0
205.12288	1.0
209.11734	2.0
211.09718	2.0
213.12950	0.8
227.14400	1.9
229.15947	3.8
235.13347	1.2
245.15570	1.3
267.17496	0.7
269.19232	0.9
273.15027	0.9
285.14862	1.0
285.18521	1.1
297.18478	0.9
319.19156	2.3
331.19095	2.6
335.18668	2.6
341.17453	1.5
347.18585	4.8
348.18405	0.8
349.20166	7.6
355.22382	1.3
359.18555	1.2
369.20746	1.1
375.18042	2.1
387.21802	1.8
393.19171	60.7
394.19495	6.8
399.21887	5.5
403.21228	3.3
413.19858	1.0
415.21222	2.1
417.22644	2.3
431.20654	1.9
443.20734	21.6
444.21164	3.0
461.21802	19.4
462.22330	3.1
477.24799	5.0
487.20068	1.1
515.26471	16.9
516.26721	2.6
527.26556	3.2
543.25946	22.4
544.26367	3.5
545.27283	89.3
546.27875	15.6
561.27032	2.7
571.25452	1.4
589.26569	44.9
590.26923	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	589.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.5
57.03320	2.0
59.01249	13.1
60.05961	0.4
61.98710	3.5
67.01756	0.8
68.99677	0.5
69.03325	1.8
71.01251	2.1
71.08073	1.0
72.99173	8.6
73.02814	0.6
75.00764	0.9
79.05413	0.5
83.01286	1.0
83.04854	0.8
85.02828	3.9
85.06466	0.8
87.04398	1.0
95.01266	0.5
95.04904	0.8
97.02834	0.9
99.00780	1.1
99.08001	0.5
101.05959	100.0
102.06320	3.0
107.04904	0.6
109.06482	0.9
111.00721	0.8
113.02338	2.7
119.04922	0.6
121.06502	0.8
135.08040	0.6
143.10602	0.6
149.05989	0.5
149.09613	0.6
167.34961	0.5
171.10202	1.9
177.12701	0.6
201.12776	0.6
209.11780	1.4
211.32944	0.5
227.14400	0.8
245.15459	0.6
255.17477	0.5
267.17480	1.0
269.19025	0.6
271.89276	0.5
279.17621	0.6
287.16498	0.5
319.20389	0.6
323.16458	1.2
329.17041	0.5
341.27008	0.9
347.18860	0.6
349.20325	0.5
359.18668	0.7
371.18549	0.5
387.21738	0.9
393.19156	7.9
394.19556	1.1
399.21567	1.2
403.21222	0.9
417.22757	2.5
443.20731	2.6
461.21573	2.6
477.24939	1.2
501.25400	0.8
515.26453	4.9
527.26300	0.8
543.26025	6.6
544.26398	1.2
545.27490	70.9
546.27759	11.4
561.27124	1.3
589.26477	22.9
590.26947	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	589.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
57.03320	4.7
59.01249	35.9
60.01550	0.5
61.98702	2.1
64.60752	0.4
69.03321	0.7
71.01250	11.5
71.04874	0.4
71.58318	0.3
72.99177	2.4
73.02811	5.3
75.00749	0.8
81.03319	0.7
83.01247	1.5
83.04900	1.0
84.02054	0.3
85.02816	5.7
87.00736	1.5
88.98663	0.5
89.02316	8.2
93.03329	1.8
95.01258	0.9
95.04931	0.4
96.95880	0.9
97.02824	0.7
97.06462	0.5
99.00748	1.2
99.04398	0.7
101.02315	8.7
102.02689	0.4
103.00234	0.4
103.03905	1.0
107.04881	0.5
108.02034	1.0
109.02843	0.7
109.06481	0.5
111.00748	1.2
113.02325	5.1
113.05966	0.5
113.99449	0.5
115.03880	1.1
117.05454	0.8
118.97993	0.5
119.03394	3.3
119.04926	2.4
120.00292	0.3
121.02808	0.8
122.82140	0.4
123.04401	0.5
123.08035	1.1
125.02309	0.8
134.03598	0.6
135.04376	0.7
135.06548	3.7
135.07990	0.4
137.02370	2.2
137.09618	2.0
139.11151	1.2
143.03441	1.7
149.02357	0.5
149.04414	0.7
149.09602	1.6
151.00290	0.5
151.11150	1.2
152.00908	0.5
159.02911	0.4
161.04466	2.4
161.09541	0.5
161.13272	4.3
163.03888	2.1
165.05489	0.4
165.12747	1.5
167.14357	0.9
175.00308	0.6
177.05515	0.5
177.12753	1.0
178.12831	0.3
179.05518	1.3
179.10715	1.0
187.11229	4.2
190.02676	0.8
195.13828	22.5
196.14211	1.2
197.15407	3.0
203.14418	0.5
205.04948	0.9
205.12271	10.4
206.12631	0.5
207.10329	0.6
207.13791	0.4
221.04262	0.4
223.13451	0.5
229.12347	0.4
229.71689	0.4
241.14407	100.0
242.14723	5.8
243.15979	15.4
244.16342	0.8
247.13216	0.6
249.11154	0.5
265.09430	1.1
265.14410	14.7
266.14795	1.1
267.16013	3.2
268.16394	0.4
269.04391	0.7
279.10779	4.1
293.04559	0.7
297.11884	20.3
301.09143	0.6
303.10880	2.3
319.10333	1.4
321.11844	3.0
341.23361	0.6
345.08167	0.4
347.09753	2.0
409.22327	0.5
485.23935	4.2
529.22937	4.2
529.30371	2.7
530.22961	0.5
547.31494	0.9
589.16235	0.6
589.24841	9.3
590.25134	1.8
596.06812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.3
59.01243	1.9
67.01749	0.7
71.01249	1.3
72.99203	0.1
73.02819	0.4
75.00731	0.1
81.03316	0.1
83.01258	0.3
85.02802	0.4
87.00724	0.2
87.02589	0.1
87.04386	0.4
89.02306	0.4
93.03353	0.3
95.04906	0.2
96.95914	0.3
98.20592	0.1
101.02322	0.6
103.03896	0.1
107.04871	0.2
107.08546	0.3
108.02087	0.1
109.02856	0.1
109.06463	0.1
113.02311	0.4
119.03337	0.2
119.08558	0.8
121.02800	0.2
122.03590	0.5
123.04408	2.2
133.06487	0.1
134.03629	0.1
135.04404	11.0
136.04758	0.3
137.02345	0.2
137.05978	0.1
137.49088	0.1
141.18370	0.1
143.14305	0.1
144.53955	0.1
147.04431	0.9
148.05161	0.3
149.04750	0.1
149.05977	0.9
150.06752	1.9
150.07947	0.1
151.07542	46.7
152.07874	1.8
153.09196	0.2
161.04584	0.2
161.05971	0.5
163.07544	27.9
164.07899	1.0
165.05501	0.1
165.09099	0.3
175.03903	0.7
177.05479	12.6
177.09027	0.3
178.05803	0.6
187.07581	0.3
189.05479	1.2
190.05849	0.1
193.04999	0.2
194.05785	0.9
195.06540	3.0
196.06772	0.2
203.10699	2.3
204.11044	0.1
205.04926	0.3
205.08626	0.5
207.06552	5.5
208.06918	0.3
211.09651	0.7
217.12103	0.1
221.11765	1.4
223.06139	0.6
223.09636	1.6
226.04745	1.0
229.08687	0.2
229.68277	0.1
233.18207	0.1
233.87604	0.1
237.11157	0.4
239.12840	6.6
240.13132	0.4
247.09721	2.4
253.14424	1.4
255.12308	0.3
263.09271	0.1
265.10809	11.3
265.14111	0.3
266.11197	0.6
279.12360	0.4
282.10941	0.1
283.11844	7.0
284.12247	0.6
297.13416	4.7
298.13672	0.3
305.17752	0.1
309.13306	0.2
323.18756	0.1
333.08188	0.2
341.19684	1.6
342.20074	0.2
349.16537	0.3
367.17560	1.6
368.18042	0.2
383.17178	0.2
385.18640	100.0
386.18976	8.9
427.19821	0.3
487.18207	0.3
501.19894	0.2
529.22815	0.9
530.23566	0.2
547.23730	0.2
586.13770	0.1
589.25055	5.7
590.17603	0.1
590.25635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.5
57.03328	1.2
59.01248	100.0
60.01593	1.2
61.98699	1.5
68.99700	1.2
69.03316	1.5
71.01249	4.6
71.32950	1.2
72.99186	1.3
73.02840	1.7
83.01264	0.8
83.04907	0.8
85.02805	2.9
87.00764	0.6
89.02326	1.1
93.03336	1.1
95.01286	1.5
97.02843	2.0
99.00755	0.7
101.02321	2.6
101.05965	8.0
101.06579	0.7
106.04147	0.6
107.04955	0.6
107.33543	0.5
108.02040	7.3
108.02702	0.6
109.02938	2.9
109.06541	0.8
109.56060	0.5
113.02319	2.7
119.04942	1.7
120.05344	0.5
121.02864	0.9
125.02333	1.1
135.08047	0.5
152.01038	6.2
153.01405	2.7
161.04425	0.7
163.03979	0.8
163.07579	0.7
171.10139	0.6
175.07607	0.8
176.00848	0.5
197.02721	0.6
199.09529	0.5
201.86000	0.6
219.06549	0.7
220.06981	0.6
290.14944	1.2
294.16156	0.6
302.01547	0.6
315.07416	0.6
317.07742	0.6
323.16568	1.0
341.17618	1.3
349.16504	0.8
367.08334	1.8
393.19424	1.8
411.14655	2.2
425.19870	0.8
443.20712	3.9
459.20410	1.2
471.16833	1.9
485.21744	4.2
501.21680	2.2
511.20541	0.7
529.20923	8.0
530.21631	0.8
545.25391	1.6
555.38904	0.6
588.21674	0.6
589.21783	16.4
590.22437	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.0
59.01247	100.0
60.01590	1.2
61.98697	2.7
67.01772	0.8
68.99692	2.5
69.03343	1.6
69.58216	4.6
71.01254	8.4
71.05399	0.7
72.99187	3.6
73.02821	2.1
75.00745	1.4
83.01250	1.1
85.02818	9.9
85.78628	0.6
89.02328	1.9
93.03331	1.8
95.01264	1.6
97.02838	2.1
98.19778	0.9
99.00771	2.0
101.02307	3.4
107.01257	0.7
107.04896	1.2
108.02070	2.4
109.02862	2.0
111.00774	1.4
113.02296	3.5
119.04946	2.3
121.02860	1.2
123.04450	1.3
125.02369	1.3
133.47491	0.7
135.04419	1.6
151.00293	1.2
151.03906	1.6
152.01050	1.3
153.01909	0.8
154.02180	0.6
160.03947	1.4
161.04457	1.2
163.03909	1.3
173.04372	0.7
175.04062	0.8
199.09656	0.8
205.04993	0.9
241.14430	0.8
269.04587	1.0
281.04401	0.8
310.99011	1.4
326.01443	2.6
375.18124	3.6
383.11484	0.8
385.02722	2.0
407.18851	1.8
417.19415	1.6
425.19769	1.6
467.20929	2.8
483.14175	0.7
483.19708	3.2
503.32288	1.0
511.19727	17.7
512.20343	2.9
527.62415	0.8
529.21008	3.9
529.30634	1.3
589.19495	1.7
589.32416	3.1
590.10242	2.5
590.39679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	1.3
57.03315	9.9
58.00425	1.2
59.00953	2.8
59.01247	38.9
61.79214	1.1
61.98685	2.0
65.88379	1.2
71.01250	23.5
71.52350	1.4
71.95795	1.2
73.02823	7.9
75.00774	1.2
81.03318	2.7
83.01253	5.1
83.04861	1.4
85.02821	19.2
87.00774	1.7
89.02320	14.2
93.03355	1.4
95.01254	2.6
95.04884	2.1
96.95911	1.6
97.02808	1.6
101.02320	21.5
103.03886	38.0
109.06484	6.7
111.04404	1.6
113.02333	10.8
117.05469	1.3
119.03402	7.5
119.49967	1.4
125.02355	4.0
127.03870	3.1
135.04376	1.9
135.07997	6.0
137.02263	1.2
137.09593	3.1
138.06757	25.7
139.07083	1.4
143.03381	1.9
145.04980	2.3
151.07500	1.8
153.09111	62.6
154.09447	2.6
157.04982	1.9
161.04449	3.2
163.06046	2.3
175.11263	1.6
178.81564	1.3
183.13808	2.0
193.12225	9.1
211.13342	24.2
212.13681	1.6
221.11826	2.1
247.08176	5.1
255.12346	89.8
256.12726	4.8
265.09253	100.0
266.09616	5.2
279.12344	34.4
280.12671	2.4
285.83771	1.4
289.09360	5.0
307.10269	13.7
330.07498	1.2
333.08246	73.1
334.08572	4.6
427.16220	2.1
494.78873	1.3
545.22296	1.9
589.21124	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	589.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33209	0.4
57.03303	1.6
59.01249	12.9
61.98693	1.2
69.03317	0.7
70.26787	1.8
71.01244	3.5
71.04882	0.5
73.02796	1.2
83.01250	0.6
85.02810	1.5
85.06470	0.9
87.04385	4.6
89.02322	1.0
90.13482	0.4
96.95895	0.4
97.02811	0.4
99.04382	1.7
101.02325	2.8
108.02068	0.5
113.02312	1.3
119.04878	1.1
121.02857	0.6
123.04367	0.7
125.02327	1.3
125.05962	1.1
133.10075	0.4
134.03484	0.4
135.04431	2.1
136.05132	0.4
137.02356	0.5
143.03374	0.7
147.04419	0.8
149.02350	0.6
149.05952	3.9
150.06757	1.3
151.00175	0.5
151.07545	7.6
152.00970	0.5
161.04495	0.8
161.05919	0.8
162.03052	0.5
162.06673	0.5
163.03935	0.5
171.10176	0.7
175.07565	2.8
176.04657	0.5
176.08275	0.8
177.05412	1.0
177.09134	3.9
177.12764	0.9
188.04709	0.8
189.05438	1.2
191.10643	0.5
193.08682	0.5
203.03487	0.4
203.07106	0.7
203.10718	2.3
204.07887	2.2
205.08632	4.9
205.12065	0.5
217.12315	0.9
218.09384	1.0
219.10304	0.8
219.13850	0.5
220.10989	8.4
221.11766	22.9
222.12065	1.1
229.12320	1.8
231.10207	6.0
233.11714	0.9
235.13310	1.0
244.10999	0.5
245.08116	2.1
245.11711	0.5
246.12454	1.1
247.09677	4.4
247.13350	10.9
248.13705	1.4
254.07289	0.4
259.13214	0.4
261.14957	1.4
264.09973	1.8
265.10669	1.2
268.03726	3.8
269.04410	0.9
273.11298	1.6
273.14703	0.4
275.16544	0.5
277.14444	0.4
283.06082	5.8
284.06274	0.4
287.13025	0.5
287.16501	1.4
289.14465	0.8
305.17566	22.4
306.17844	2.1
323.11526	0.8
331.15463	7.6
332.15808	1.1
349.16522	100.0
350.16870	8.3
360.12454	0.4
385.14197	62.6
386.14575	5.8
387.46021	0.5
433.10062	0.8
529.21893	0.5
529.30170	1.4
547.31262	0.5
553.22858	10.6
554.23102	2.1
589.19611	3.8
589.30804	1.3
590.20160	0.5
610.99963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.4
57.03318	3.2
59.01247	100.0
60.01558	1.1
61.98702	6.2
69.75919	4.8
71.01250	21.0
71.04885	1.8
72.99180	1.9
73.02814	7.5
73.33261	1.0
75.00713	1.6
83.01266	4.5
85.02820	10.3
87.00751	2.4
87.04379	1.7
89.02312	9.7
93.03326	17.9
95.01241	2.8
96.95908	2.0
99.00755	1.8
99.04441	1.1
101.02318	10.7
106.03459	1.0
106.04153	1.1
107.01208	1.2
108.02034	1.7
109.02859	2.2
111.00745	3.1
113.02325	13.7
119.03366	2.4
119.04916	4.3
121.02854	2.4
125.02292	1.3
137.02333	33.9
143.03415	1.9
149.02359	1.9
150.03062	1.3
151.00229	2.8
152.01079	2.3
153.01831	1.5
161.04480	6.9
161.05687	1.1
161.09654	1.5
165.05507	1.0
179.05525	1.8
187.11234	1.8
191.07095	1.4
193.05093	1.1
195.06596	1.1
205.12297	2.0
239.12848	1.5
241.14386	3.8
271.06073	2.2
285.04004	1.7
295.10483	4.9
305.14047	1.3
337.16687	5.0
338.16812	5.4
339.17139	7.9
377.10483	3.4
449.17960	4.0
483.22324	3.9
483.29510	13.8
484.22800	1.5
484.30219	1.1
501.30630	5.8
527.32312	1.6
543.23523	4.7
543.31390	1.9
587.22321	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	587.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.3
59.01250	2.6
61.98698	0.4
67.01754	33.5
68.02071	0.7
68.99681	7.6
71.01259	0.3
73.02802	1.4
83.01242	0.4
83.04903	0.3
85.02824	0.8
85.27602	0.3
93.40559	0.3
97.06517	0.4
98.19765	0.7
99.00813	0.3
99.08057	0.4
101.05952	100.0
102.06274	2.1
109.06489	0.6
111.00754	2.3
121.06506	0.3
123.23062	0.3
127.07516	0.8
135.04381	0.3
151.00053	0.4
151.03928	0.5
218.83327	0.3
253.12373	0.4
254.38223	0.3
268.80331	0.3
269.15372	0.4
295.16882	0.4
327.23297	0.5
339.15741	0.5
347.18735	1.7
353.21045	0.6
371.18527	1.3
389.19803	1.1
397.20099	0.9
411.25189	0.5
415.21188	2.5
431.24542	1.7
441.19064	0.7
459.20309	1.6
473.25412	2.0
499.27020	10.5
500.27219	1.4
543.25946	53.9
544.26263	8.2
582.71655	0.4
586.35419	0.6
587.25934	0.3
587.36163	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.6
57.03328	2.4
59.01246	100.0
60.01584	0.8
61.98701	0.9
65.00192	1.5
67.01753	19.3
67.02118	1.1
68.02106	0.6
68.99676	5.7
69.03327	1.9
69.79810	2.9
71.01267	1.5
73.02821	3.7
83.01247	4.0
85.02830	1.6
91.05386	0.5
94.62298	0.6
95.01257	0.6
95.04908	1.4
98.20525	0.5
99.00741	0.7
101.05956	82.8
102.06293	1.2
107.04923	1.1
109.06459	3.2
111.00762	17.2
111.04390	2.5
113.02300	0.4
118.94418	0.4
119.08607	0.7
121.06452	0.6
123.00719	0.7
123.04459	1.4
125.05936	0.8
127.07535	1.1
135.04410	1.4
135.08028	0.8
137.02359	1.2
138.03108	2.5
139.03899	2.6
142.67671	0.5
151.03934	1.0
175.11124	0.7
185.09641	0.6
189.09081	0.7
192.56821	0.5
203.10661	0.6
257.15405	0.7
345.17111	1.0
347.18576	5.7
357.16895	0.8
359.18549	0.7
371.18546	1.9
381.17300	0.9
389.19971	1.0
397.20126	4.3
399.18051	0.8
413.19928	1.1
415.21201	5.4
429.26355	1.2
431.19730	0.9
431.24442	1.8
441.19382	0.6
455.24457	0.9
459.20200	17.6
460.20544	1.7
473.25507	3.8
474.25177	0.6
497.25528	1.2
499.27002	11.1
500.27371	1.6
515.26563	2.6
527.22778	1.4
529.15845	0.6
543.25934	66.6
544.26251	9.9
555.26508	0.6
581.13281	0.5
583.95911	0.6
587.24506	6.3
588.25378	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27544	1.0
57.03316	2.6
59.01244	16.0
61.98697	3.0
67.01759	30.1
68.99683	8.5
69.03314	1.7
69.35117	10.4
71.01258	2.7
83.01221	1.4
83.04882	1.7
85.02844	2.1
93.03355	1.2
95.04868	1.8
99.00729	1.1
101.02319	1.5
101.05959	100.0
102.06294	2.1
107.04909	2.3
109.06445	4.8
111.00758	6.5
111.04411	1.6
119.04892	3.7
125.06008	1.7
127.07540	2.1
134.78087	1.1
171.10083	1.2
185.79840	1.1
257.03186	1.3
269.15302	1.1
270.04160	1.5
271.04773	1.1
275.33893	1.2
312.75165	1.4
339.15900	1.8
347.18552	2.4
365.13806	4.2
371.18503	5.0
389.19714	1.6
397.20172	4.3
415.21188	8.7
459.20285	10.0
473.25513	3.0
499.27081	13.3
519.29510	1.3
543.25928	65.0
544.26282	11.4
587.25104	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	587.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.3
59.01249	1.9
67.01755	29.3
67.98162	0.9
68.99680	8.8
69.03311	1.6
69.24213	6.6
69.24632	2.9
83.01263	1.0
87.85268	1.0
91.05446	1.1
91.26426	0.8
95.04914	2.6
101.05954	100.0
102.06261	2.0
109.06462	3.4
111.00766	9.3
111.04453	1.5
120.00955	0.9
121.06454	1.0
127.07544	3.1
295.35437	1.0
345.16953	2.0
347.18539	9.1
348.18509	1.3
359.18527	1.2
371.18338	5.2
373.16428	1.1
385.19751	2.1
389.19681	3.1
397.20129	4.3
399.18246	1.4
415.21268	9.3
416.21494	1.3
431.24298	1.3
441.19327	1.1
459.20197	16.0
460.20285	1.6
473.25287	4.1
499.26929	13.8
500.27151	1.9
515.26111	1.2
543.25940	71.5
544.26215	10.8
555.25671	1.7
587.25122	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	587.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62172	0.8
51.22726	0.8
59.01250	100.0
67.01750	2.5
68.99651	1.0
69.28539	3.8
69.28972	5.0
71.46581	1.0
73.02818	3.2
75.00739	1.4
86.41572	0.9
90.24192	0.9
101.05952	6.7
109.18008	0.9
111.00792	2.5
111.34073	0.9
118.44939	0.9
118.89658	0.8
121.06464	2.0
134.69714	0.9
137.94765	0.9
168.27045	0.9
225.15858	0.9
243.10164	2.0
459.20309	3.7
471.20227	32.2
472.20349	4.2
499.27112	1.5
527.22876	11.1
528.23053	2.2
539.24158	1.0
543.25977	10.2
544.26019	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	587.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60873	0.2
56.81407	0.2
58.43214	0.2
59.01249	100.0
60.01585	0.8
61.98701	0.4
64.78564	0.2
71.00723	0.3
73.02822	0.7
74.61274	0.2
94.39452	0.2
101.05920	0.3
121.32043	0.2
230.23296	0.2
329.03027	0.2
496.96790	0.2
499.27466	0.3
527.23047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01568	1.1
69.72796	2.3
73.02816	2.2
78.71407	0.3
85.02837	0.5
92.40714	0.3
95.72701	0.3
98.19826	0.7
98.20493	0.8
101.06000	0.6
123.72241	0.4
189.06467	0.4
286.43781	0.4
293.86572	0.4
395.15158	0.6
469.19022	0.9
527.23132	0.8
543.26715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.1
57.03300	1.2
59.01251	6.6
59.56396	0.6
61.67380	0.7
61.98692	5.4
65.00177	1.7
66.99316	0.6
67.01756	32.2
68.99683	7.3
69.03330	1.3
70.34643	1.8
71.01250	1.7
71.01607	0.7
77.24021	0.7
79.89281	0.7
83.01247	5.5
83.04898	1.3
83.22265	0.8
85.02809	1.4
98.19940	0.8
101.05955	100.0
102.06300	2.4
107.04903	0.9
109.02855	0.8
109.06471	1.7
111.00753	26.3
111.04398	5.4
112.01087	0.9
121.22165	0.6
123.04407	1.2
127.07504	1.2
129.00719	0.7
137.02257	1.0
138.03111	0.8
139.03896	2.2
186.47919	0.8
209.11751	1.2
237.09183	1.2
255.13788	0.9
263.10757	2.5
269.15179	1.0
276.57770	0.7
279.13889	4.9
280.14407	0.8
291.08911	0.8
295.16968	1.3
297.14923	0.9
313.18149	1.1
329.17648	1.0
337.17871	1.4
340.11255	0.8
347.18500	1.5
357.16885	0.9
367.15411	1.2
371.18518	1.3
381.16782	1.3
389.19516	1.1
415.21323	4.1
431.20044	1.2
441.18976	1.0
447.08188	0.9
459.20193	6.8
460.20456	1.5
473.25412	2.5
499.26990	11.6
500.27356	1.3
515.26343	2.9
516.26599	1.0
543.25946	94.3
544.26367	17.8
587.25116	11.6
587.33551	1.5
588.25226	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	587.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03049	0.3
57.03321	4.8
59.00955	0.3
59.01251	6.7
61.98700	1.4
69.03320	0.2
69.29671	1.6
71.01247	2.4
71.04904	0.2
72.99146	0.2
73.02815	1.6
73.51324	0.2
82.73068	0.2
83.01252	0.4
83.04887	0.6
85.02811	1.3
85.06452	0.3
87.00740	0.3
89.02308	0.7
91.00203	0.2
93.03313	0.3
97.02838	0.2
97.06435	0.4
98.19801	0.3
99.00783	0.3
101.02322	1.5
103.03861	0.2
108.02031	0.4
109.02827	0.4
113.02310	1.2
115.03871	1.3
119.04919	0.7
120.98286	0.2
121.02781	0.3
123.04411	0.3
123.08041	1.5
125.02326	0.2
137.02347	0.4
137.09610	1.9
139.03888	0.4
139.11162	0.9
149.09621	2.4
151.11189	1.0
153.01752	0.4
161.02327	0.2
161.04465	0.7
165.12813	1.5
167.14305	1.1
177.12752	1.7
179.10732	1.0
187.11140	0.3
195.13834	23.8
196.14191	1.3
203.05708	0.3
203.14304	0.4
205.12250	0.5
223.13298	0.3
233.10379	0.4
239.12781	0.6
241.14407	100.0
242.14731	6.1
247.13326	0.3
255.02631	0.2
265.14426	17.5
266.14774	1.3
277.09274	0.5
301.09241	1.3
309.13385	0.3
319.10300	3.4
320.10593	0.3
328.23318	0.2
345.08258	1.4
532.09106	0.2
550.28143	0.2
587.23920	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	587.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80643	3.4
59.01251	22.2
61.79124	3.2
61.98697	8.5
69.26959	6.7
69.27360	32.9
71.01241	12.2
73.02821	5.7
73.11497	3.2
78.60724	4.0
82.11800	3.3
82.23684	3.4
85.02806	8.1
89.02327	4.3
91.06053	3.6
93.03305	6.7
96.95888	11.2
101.02298	8.8
103.03886	5.2
113.02338	4.6
119.04907	7.0
134.03555	4.8
137.02298	5.0
147.04361	5.6
153.30327	4.2
169.27898	3.9
175.03912	57.9
190.02657	4.7
205.04880	4.5
245.08133	12.6
263.09219	100.0
264.09686	8.3
367.10602	4.4
380.49301	4.2
554.05341	4.5
573.03687	3.9
587.23596	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	587.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
57.16125	0.5
59.01250	11.6
61.98706	0.7
68.59303	0.5
68.99692	0.8
69.03299	0.9
69.19710	2.2
69.20139	3.4
71.01250	7.6
71.60840	0.5
72.99158	0.6
73.02814	1.9
81.03332	1.2
83.01242	2.3
83.04897	0.4
85.02819	5.1
85.71307	0.5
85.92953	0.5
87.00739	0.5
89.02316	1.4
91.06304	0.5
93.03345	2.6
94.33123	0.5
95.01256	2.3
96.31046	0.5
98.19846	1.0
98.43142	0.6
99.00760	0.9
101.02320	4.7
103.03887	0.7
106.04118	4.0
108.02049	55.4
109.02854	26.6
110.03153	0.9
113.02302	3.2
119.03406	0.8
119.04915	2.2
121.02844	3.3
123.00756	1.3
123.04404	1.6
123.08037	3.4
125.02271	0.6
133.02849	0.5
133.06450	0.6
134.03621	1.8
135.00754	1.1
135.04373	0.9
137.02324	0.9
138.03137	0.7
142.24989	0.5
149.02325	1.9
149.05983	0.9
150.03116	2.0
151.00142	0.7
151.03957	0.9
152.01053	71.5
153.01849	18.1
161.04378	0.8
163.03899	1.6
171.10246	0.5
182.02148	1.2
187.11224	5.3
189.05519	0.9
215.03397	0.9
219.06572	2.3
225.04034	0.6
229.12308	0.8
231.10191	1.3
244.26523	0.6
265.09311	1.1
289.14426	10.2
290.14844	0.9
300.87579	0.6
315.03522	0.7
315.07190	15.3
316.07483	0.8
339.12384	4.0
339.39343	0.6
365.10291	1.7
429.70520	0.7
433.18604	3.3
527.28516	0.9
543.22198	1.5
545.29480	0.8
587.21283	100.0
588.21655	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	587.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	18.2
61.95625	1.7
61.98695	5.3
63.02256	1.4
65.00198	7.3
69.64937	1.4
70.45387	1.5
71.01246	4.1
73.02837	2.2
83.01247	2.5
84.37589	1.5
85.02811	1.8
93.03316	7.8
96.95883	1.6
101.02326	4.6
102.85339	1.4
109.02871	1.8
109.06475	2.4
119.04912	45.6
120.05243	1.7
121.02859	2.2
130.69203	1.7
131.08606	1.8
133.06488	15.1
137.02351	2.3
145.02776	2.4
151.07536	4.1
152.01086	1.6
163.00246	1.8
175.00227	2.3
175.07520	6.5
176.01016	6.5
191.06973	2.0
193.54776	1.6
194.24695	1.6
200.45576	1.8
219.06566	53.9
220.06848	3.3
233.08163	4.0
245.08211	3.6
295.06061	2.0
309.74722	1.5
339.12338	100.0
340.12744	10.6
349.17157	1.8
447.91431	1.8
457.57782	1.7
465.99030	1.9
543.18622	40.0
544.18811	6.6
587.19946	1.9
587.29260	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.6
57.03308	0.6
59.01242	4.0
61.98690	0.6
65.00190	0.9
67.76943	0.4
68.99696	0.5
70.00130	1.4
71.01257	4.9
73.02811	1.8
81.03332	0.9
83.01268	1.0
85.02827	3.4
85.03270	0.5
87.00713	0.7
89.02277	0.6
93.03335	2.1
95.01256	1.7
96.99207	0.6
99.00739	0.5
101.02320	2.7
106.04121	3.7
107.04906	1.5
108.02048	48.0
109.02848	20.8
110.03140	1.2
113.02354	2.3
119.04909	7.7
121.02831	1.1
123.00740	0.8
123.04383	0.7
132.05638	0.5
133.06520	2.3
134.03612	0.6
135.04404	0.5
137.02333	0.5
138.03130	0.9
145.02858	1.0
150.03123	1.0
151.03897	1.0
151.07555	0.7
152.01050	60.4
153.01845	16.8
154.02228	0.5
159.08066	1.0
159.69722	0.4
162.94420	0.5
163.03880	1.2
165.01892	0.6
166.02701	0.4
175.07574	1.1
175.11253	2.5
176.01016	1.2
182.02187	0.7
193.08647	0.4
203.05450	0.5
215.14354	0.9
219.06580	7.7
219.08572	0.3
225.12468	0.5
227.14336	1.7
233.08131	1.1
245.08191	0.6
245.15433	1.7
265.09274	0.6
271.13498	0.6
289.14426	13.1
290.14853	1.2
315.07217	13.0
316.07379	0.9
331.15808	0.5
332.91351	0.4
339.08182	0.9
339.12335	17.0
340.12653	1.6
423.12912	1.3
433.18527	2.4
435.66571	0.5
543.18176	5.7
544.19128	0.8
569.19043	0.5
587.21283	100.0
588.21582	19.0
588.29852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	22.6
61.98693	3.9
63.02250	1.3
65.00185	5.4
65.03823	1.1
68.99689	1.2
71.01260	6.8
73.02812	2.0
80.19621	1.0
82.96937	1.0
83.01266	2.3
83.04895	1.0
85.02816	3.2
87.00752	1.6
88.98712	1.4
89.02314	1.3
93.03339	7.1
96.95889	2.3
99.00739	1.8
101.02345	3.8
106.39786	1.1
107.04885	1.4
108.02049	3.4
109.02814	2.8
109.06464	2.8
113.02334	2.8
116.92741	2.7
119.04910	45.3
120.05200	2.5
121.02850	2.0
125.02372	1.6
133.06477	16.5
136.01547	1.1
137.02269	1.5
145.02800	1.6
149.02263	1.2
149.05939	1.8
151.07513	5.4
152.01042	3.6
152.99532	1.6
159.04407	1.3
161.02310	1.4
161.04558	1.4
161.05954	2.0
163.00348	1.3
175.00191	2.0
175.07510	8.9
176.01086	6.9
177.01831	1.6
186.06561	1.1
193.08647	1.8
219.06558	58.2
220.06914	3.4
222.01779	1.1
233.08148	2.2
237.07701	1.6
245.08133	4.9
269.04544	2.1
339.12344	100.0
340.12720	14.4
341.13150	2.1
497.87976	1.4
543.18658	41.5
544.19061	8.0
587.19849	6.0
587.29321	1.8
588.29614	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01725	0.7
57.03328	4.7
57.97481	0.6
59.00954	1.2
59.01252	22.0
61.98699	16.6
69.03336	1.0
69.22049	6.5
71.01257	6.5
72.82750	0.7
72.99203	0.8
73.02821	2.8
75.55501	0.7
76.44892	0.6
81.03325	3.8
83.01254	4.9
83.04904	0.8
85.02818	3.9
87.00724	0.9
87.04380	3.7
89.02312	2.9
93.03330	1.9
95.04907	1.0
96.95895	1.2
99.04395	1.2
100.14054	0.6
101.02332	4.4
108.02074	1.6
109.02818	1.9
111.00798	0.8
113.01637	0.7
113.02313	4.3
115.85671	0.9
116.92738	1.5
119.03407	1.1
119.04910	2.5
121.02876	1.3
123.04395	2.6
124.01603	0.7
125.02367	2.0
132.51039	0.7
135.04358	0.7
137.02344	2.2
137.05980	1.9
138.03154	1.3
149.05983	0.7
149.40358	0.7
150.03036	0.7
151.00275	1.5
152.01074	1.6
153.01755	0.9
160.03928	1.1
160.36113	0.9
161.02251	0.7
161.04416	1.4
163.03920	1.5
163.11148	2.0
164.04643	2.6
166.02597	3.3
167.03375	0.9
179.03430	2.6
180.04192	2.0
183.13713	0.9
191.03410	3.0
192.04167	1.2
205.05064	1.5
205.12318	1.3
251.16528	1.0
269.04468	2.1
289.14432	1.0
295.15482	11.7
296.15921	0.8
319.15552	1.1
337.16556	100.0
338.16934	9.9
361.16537	2.8
379.17310	2.4
490.17859	0.9
525.30615	1.9
541.22791	22.1
542.23401	3.0
543.32043	1.2
585.24817	2.7
585.32928	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	585.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59535	0.8
55.01756	1.6
57.03327	6.2
58.00461	1.3
59.01248	95.5
60.01584	1.0
61.98702	8.3
69.03300	2.8
69.21226	3.8
69.21650	5.5
71.00842	1.6
71.01250	31.6
72.01549	0.9
72.99157	1.6
73.02824	7.5
75.00751	1.0
80.02569	1.7
81.03333	3.8
81.89819	0.8
83.01263	11.5
83.04908	1.4
85.02822	16.9
87.00748	3.9
87.04394	3.9
89.02322	9.5
91.88519	0.9
93.03351	4.3
95.01242	4.3
95.04890	3.5
96.95870	0.9
97.02841	3.1
99.00753	1.9
99.04384	1.5
101.02320	15.3
103.03890	0.9
107.01297	1.4
107.04929	1.9
108.02050	6.4
109.02859	1.1
111.00782	1.5
113.02328	23.5
116.92773	1.4
119.03390	4.1
119.04899	3.3
120.99525	7.1
121.02854	2.8
122.03630	1.9
123.04423	4.8
123.75945	0.8
124.01556	5.0
125.02347	7.3
135.04453	2.7
137.02333	3.8
137.05962	3.4
138.03061	0.9
139.03941	1.9
141.01791	1.2
143.03377	3.8
145.02827	1.1
149.02396	1.8
149.05875	0.9
150.03145	2.2
151.00258	1.6
151.03935	1.6
152.01045	6.6
160.03908	1.0
161.04472	4.6
163.03902	2.4
164.04666	2.4
165.01826	1.1
165.05495	1.8
166.02609	4.3
167.03381	3.2
175.07558	1.0
175.11227	1.1
179.03461	4.6
180.04179	9.4
187.11264	0.9
189.09137	1.7
191.03354	1.1
193.05019	1.0
195.06497	1.0
205.04947	1.4
205.12222	0.9
208.03731	2.7
219.06618	4.1
238.43828	0.9
265.09387	1.3
267.15958	1.8
268.03937	1.2
269.04507	2.0
290.14597	0.9
293.12393	1.0
293.17441	1.0
295.15494	6.8
317.17722	0.9
319.15387	1.4
337.16513	22.4
338.16913	1.6
349.16559	4.3
351.18271	0.9
367.17316	1.5
377.16034	1.0
379.17590	100.0
380.17868	12.4
381.22717	2.0
391.17468	1.2
399.23804	1.0
409.18652	24.5
410.18985	2.7
421.18704	2.0
461.25229	0.9
478.25558	1.0
499.21588	1.6
523.21497	1.5
525.27014	3.9
541.23749	4.1
543.27930	15.6
544.28278	1.7
567.31390	1.2
585.22607	2.0
585.32391	1.9
586.23022	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	585.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43073	0.4
57.56184	0.4
59.01246	10.0
61.65095	0.3
61.98705	2.3
63.82833	0.4
65.00220	0.4
70.58224	1.3
70.67809	0.4
71.01270	1.2
79.95636	0.4
84.96906	0.4
85.02827	0.5
93.03357	0.6
96.95912	0.9
99.00836	0.4
101.02319	0.7
107.04961	0.9
108.02087	1.2
109.02802	3.1
113.02379	1.0
116.92747	1.1
121.02880	0.8
123.00831	0.5
123.04421	0.5
131.04961	0.7
134.03645	0.4
135.04420	0.5
137.02342	1.1
139.03909	0.7
139.91862	0.4
145.02927	0.5
147.00778	0.9
148.01656	0.5
149.02316	2.7
149.05984	0.9
150.03180	0.4
152.01140	0.5
153.01901	0.4
155.04970	0.7
157.06458	0.5
161.02382	0.7
163.03900	1.0
171.10173	0.6
173.05980	6.1
175.00319	1.3
175.03976	0.7
185.06058	1.2
185.17409	0.4
187.03940	2.6
188.04716	0.4
189.01854	0.5
189.05527	0.8
199.03993	1.7
201.01889	1.6
201.05522	1.4
211.03963	0.8
214.02608	0.8
215.03342	1.2
216.04156	0.5
217.04922	3.1
223.07614	0.9
224.08398	0.5
226.02615	0.6
227.03575	0.5
228.04272	0.5
229.01393	0.9
229.05029	1.7
230.05693	0.6
235.07655	0.7
239.03543	0.5
247.07669	0.7
249.05565	0.8
249.09140	0.9
250.06285	0.9
251.03462	0.9
251.07066	1.3
254.02150	0.6
255.02968	1.3
263.06973	0.8
265.08722	2.2
266.02161	0.7
267.02905	0.5
269.04599	0.5
275.07138	1.1
276.07791	0.7
277.05066	0.8
277.08823	0.9
278.05841	2.7
279.03232	1.0
279.06662	2.2
281.08112	1.3
282.01666	1.4
283.02493	2.2
291.06622	1.1
292.07230	0.5
293.08093	4.6
294.05844	0.5
294.08896	2.8
295.02402	1.8
295.05527	0.5
306.05371	1.1
307.06134	0.8
309.07620	3.2
309.11353	2.0
311.01761	0.6
319.06131	2.3
320.06857	1.1
321.07608	4.5
322.04861	0.9
322.08310	1.0
337.07138	13.4
337.10364	0.5
338.07471	2.0
347.05585	1.0
353.10245	3.5
365.06604	53.0
366.07211	14.5
367.07898	0.9
380.08972	46.7
381.09741	100.0
382.10114	11.1
423.10931	0.8
440.00772	0.5
585.16034	42.6
586.16388	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	583.2217
Annotation	Magnesium protoporphyrin
Peak:m/z	Relative Intensity
59.01249	6.1
60.11228	0.3
61.98702	0.6
71.01202	1.1
72.75592	0.3
72.99178	1.3
73.02820	0.5
79.95604	8.5
85.02803	0.5
89.02302	0.7
95.95104	11.5
96.95885	49.2
101.02303	0.8
113.02314	0.5
119.08474	0.3
121.02853	0.4
136.99091	0.5
149.02328	0.4
150.03078	0.4
161.09601	0.3
167.00099	0.4
175.00153	0.4
190.02635	0.5
195.03235	1.1
205.08589	0.5
223.06044	0.8
265.07214	0.6
291.10699	0.6
293.19809	0.3
295.07910	0.5
295.10767	0.5
315.12677	2.4
325.09253	1.2
341.14413	0.7
347.14890	0.7
364.01810	0.4
365.14282	0.4
377.16183	0.5
381.17416	1.0
399.25500	2.8
405.17548	0.8
407.16760	0.3
415.25021	1.6
419.19131	2.2
421.16602	0.5
435.14737	0.4
437.16812	0.5
441.19702	0.7
443.24353	2.3
446.17743	0.6
449.16492	0.9
461.20163	0.5
463.17874	1.5
475.27228	1.3
479.21051	5.4
480.21664	0.5
495.20740	1.4
503.26218	0.4
505.19012	1.1
506.18936	0.3
523.20148	3.5
523.34814	0.6
524.19977	0.6
539.23132	4.6
540.23120	1.0
555.22632	9.0
556.23035	1.2
565.20941	1.0
583.22168	100.0
584.22504	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	583.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39883	0.9
63.96096	1.6
71.01244	6.7
71.29105	2.1
73.02817	2.0
78.98459	4.4
79.95614	8.0
80.96387	57.8
85.02811	3.0
87.00749	1.5
94.97963	13.7
97.02855	1.0
101.02320	2.7
106.97950	2.6
122.97453	3.7
123.20568	1.1
125.02297	2.7
125.86968	0.9
134.97472	4.9
148.99052	6.4
152.98503	4.8
164.98572	8.5
175.49712	1.0
206.99615	2.0
225.00694	11.1
283.26443	1.1
299.04385	2.8
301.93402	1.1
583.31512	100.0
584.31952	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	584.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	8.3
61.98700	100.0
65.89301	0.7
71.01247	5.1
71.53217	1.2
73.02827	2.3
76.12540	0.7
96.95887	0.9
101.02336	2.3
101.05852	1.0
106.04141	3.8
107.04917	2.0
113.02331	2.2
119.04945	0.9
137.31975	0.7
138.03136	1.3
141.02536	0.7
159.08055	1.2
161.09727	0.8
201.64807	0.8
203.07037	1.4
229.15999	4.8
273.14932	19.1
274.15326	2.3
287.16708	2.0
315.15976	25.7
315.19577	1.3
316.16409	1.9
345.17242	1.2
349.09042	0.7
417.19205	5.8
477.21307	14.5
478.21667	1.6
510.51022	0.9
540.07654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	22.1
61.98703	1.5
71.01233	1.0
78.95772	21.8
78.98491	1.1
79.95566	1.2
80.96379	9.1
86.41425	0.9
94.97943	2.9
98.20583	2.1
122.97456	1.4
126.04128	1.0
152.99498	3.4
168.04196	3.9
181.94237	0.9
210.29364	1.0
224.06906	7.4
225.00676	1.9
242.07947	2.1
283.26401	100.0
284.26642	7.2
284.29361	1.1
346.27948	1.1
434.90088	1.2
508.34052	72.7
509.34283	9.3
582.30328	17.9
583.30231	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	583.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03097	0.6
55.01762	0.5
57.03310	1.7
58.65085	0.4
59.01246	9.0
61.98709	3.1
69.03320	1.0
71.01256	3.4
71.39414	1.0
72.99175	0.6
73.02803	1.6
75.10448	0.5
81.03326	2.2
83.01255	7.5
83.04893	2.5
85.02816	1.8
85.06467	0.8
87.00767	0.5
89.02310	1.2
93.03320	1.1
95.01253	1.2
95.04895	2.1
96.95831	0.5
97.02810	1.4
98.45350	0.5
101.02326	2.1
103.03919	0.6
106.04143	0.6
107.04892	0.7
108.02081	0.9
109.02810	1.2
109.06470	1.2
111.04419	0.5
113.02304	1.2
119.03427	0.5
119.04878	1.1
121.02847	1.3
122.03598	1.1
123.00830	0.5
123.04401	5.6
123.07960	0.6
124.01561	1.0
125.02316	1.9
133.06499	0.9
135.04393	2.0
137.02306	1.4
137.05952	1.4
137.09554	0.9
138.03113	1.4
139.03862	1.2
147.08006	0.7
149.02229	0.6
149.09570	0.9
150.03105	1.9
151.00270	0.7
151.03931	0.9
152.04720	0.9
153.05463	0.7
161.02327	0.6
161.09651	0.8
163.03908	1.2
164.04689	1.4
165.01825	1.3
165.05492	1.3
166.02628	2.6
167.03429	3.0
177.05469	0.5
179.03415	5.9
180.04198	9.4
181.04787	0.5
190.02553	0.6
191.03412	1.2
192.04218	0.7
203.07036	1.0
205.04977	2.1
207.06145	0.6
208.03630	2.9
209.04431	0.5
217.08688	0.7
221.04550	1.1
231.06619	0.6
231.13979	0.6
233.04408	0.9
233.08116	0.5
233.11624	0.6
238.04716	0.7
243.13911	0.9
245.08167	0.6
249.07587	1.1
256.02518	1.6
257.03256	8.1
259.13315	0.8
261.07584	0.6
261.14862	1.0
263.12842	1.2
264.13376	0.5
265.09201	0.9
267.66678	0.7
269.04501	0.5
271.04840	1.7
272.05634	17.0
273.05875	1.3
275.16428	0.6
277.14136	0.5
285.14975	0.6
287.12955	0.8
291.12283	0.9
291.15594	0.6
293.13895	3.9
303.15979	0.8
305.13943	5.1
315.15771	0.7
317.13766	1.1
319.15286	1.1
323.14859	0.6
331.15692	1.1
333.16769	0.6
335.14981	16.2
336.15393	1.7
347.14926	5.9
349.16492	0.6
359.15250	0.8
365.15778	0.6
374.13733	0.5
375.14465	0.9
377.16016	100.0
378.16354	8.8
379.21500	0.9
389.16049	2.0
407.17062	29.5
408.17398	3.3
419.17010	1.6
443.17300	0.7
461.18036	0.6
476.11935	6.3
477.12216	1.0
479.19269	0.7
495.18762	2.2
497.20505	1.5
521.20551	1.5
522.21155	0.6
523.28894	0.8
539.21222	4.2
540.20844	2.5
583.23822	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	581.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	8.3
61.98703	5.9
65.44147	1.1
71.01231	1.3
71.52759	1.7
78.95772	73.4
82.95970	2.7
90.21680	1.2
96.96824	14.2
106.76825	1.1
114.79039	1.1
130.42201	1.1
152.99484	99.3
153.99814	2.5
171.00551	2.5
172.89558	1.1
223.00055	10.9
241.01138	26.3
259.02179	2.3
265.21716	69.1
266.22009	5.3
315.04822	14.9
581.27283	100.0
582.27802	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	581.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98577	0.3
53.83450	0.3
54.25374	0.4
59.01249	0.6
59.45675	0.3
63.96103	1.1
69.03339	0.8
71.01250	7.3
73.02818	1.4
78.98454	5.3
79.95603	9.8
80.96387	71.0
81.03335	0.9
81.29659	0.3
81.96360	0.3
84.28410	0.3
85.02828	3.3
85.03310	0.6
86.22254	0.4
87.00735	2.7
93.63750	0.4
94.97958	16.5
95.01254	0.6
96.95885	1.3
97.02812	1.7
98.20552	1.1
99.00761	0.8
101.02311	2.6
106.97943	3.3
113.02325	0.6
113.39321	0.3
115.31441	0.3
122.97466	4.9
125.02319	3.1
127.03896	0.8
134.97461	4.3
136.99052	0.9
148.99036	6.1
152.98555	7.4
164.98540	11.7
167.00072	0.5
182.99615	2.7
188.98482	0.4
206.99594	3.1
225.00705	17.2
226.00958	0.5
243.01898	1.9
243.04060	0.3
274.80545	0.4
281.24841	3.4
299.04456	2.3
395.37820	0.4
448.84634	0.4
467.93222	0.4
514.79907	0.4
581.29974	100.0
582.30231	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	581.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90324	1.4
55.01735	1.3
57.03307	5.9
58.00448	2.0
59.01247	67.1
61.98693	11.1
63.88763	1.2
65.94781	1.0
67.01740	1.5
67.67593	1.2
69.03312	1.8
71.01248	31.4
71.52763	2.1
72.99156	3.5
73.02809	18.1
75.00729	1.6
78.57504	1.1
81.03301	1.2
83.01251	9.1
83.04874	1.3
85.02355	1.8
85.02820	25.2
87.00737	2.8
89.02308	19.2
91.79828	1.2
93.03307	4.9
95.01250	2.5
96.95862	1.9
97.02847	2.5
99.00721	1.3
99.04346	1.6
101.02324	26.8
103.03885	36.0
106.04099	5.2
108.02057	1.5
109.02813	3.9
109.06455	2.5
111.00752	2.0
111.04381	1.4
113.02322	12.3
113.05953	1.2
119.03405	6.9
119.04889	4.3
121.02837	16.1
122.03578	3.6
122.56791	1.4
123.00779	1.5
123.04400	2.2
125.02319	3.8
129.05530	1.4
131.03317	1.5
133.02811	2.4
134.03592	2.4
135.04378	2.1
137.02315	4.8
143.03410	2.5
147.08025	2.6
149.02338	8.2
150.03064	4.4
151.00244	2.0
151.07544	9.4
152.00954	1.6
156.83261	1.4
159.04395	1.9
159.07991	2.7
161.02296	3.4
161.04410	4.5
161.09596	10.0
163.03879	2.5
163.07567	2.5
173.05899	2.0
175.03870	2.0
175.07454	1.9
182.02049	2.2
185.13564	1.4
187.03870	1.6
202.06258	1.8
203.07072	5.1
204.07755	3.4
205.04915	2.6
205.08633	7.8
219.06505	2.1
241.12294	1.4
243.13881	24.5
244.14311	1.7
245.07968	1.4
245.15372	2.3
247.09712	4.6
255.02971	1.4
257.11658	4.1
265.09265	100.0
266.09579	5.6
271.13397	22.1
273.14941	2.6
284.03305	3.1
287.13177	1.3
287.16382	4.8
289.14545	1.2
301.10828	5.3
301.20157	1.6
307.11850	1.5
315.12302	2.6
317.13837	1.5
333.13370	13.8
343.11807	1.2
375.14340	11.1
405.15604	3.0
435.16431	10.2
465.20789	2.2
467.15320	6.2
477.17673	3.4
493.20605	2.5
495.18451	5.0
510.71585	1.4
519.18781	1.8
537.19434	11.9
538.20477	1.6
539.30682	1.6
563.21362	3.5
581.22266	98.4
582.22443	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	581.2238
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
55.01757	2.7
56.11045	1.0
57.03302	3.4
58.00465	2.5
59.01249	42.4
61.98688	1.5
71.01252	30.3
71.32322	2.0
72.99173	2.9
73.02811	3.3
74.73316	0.9
75.00740	1.4
83.01244	6.6
85.02820	10.1
85.99952	1.0
87.00740	4.9
89.02314	21.4
95.01246	2.7
96.95863	1.2
99.00759	5.6
100.64761	1.0
101.02319	18.7
103.03908	1.3
108.02017	1.5
109.02831	1.2
111.00777	1.5
113.02346	9.1
115.03904	2.8
119.03377	10.5
119.51385	0.9
121.02801	1.2
122.03610	1.5
123.00789	11.1
124.00620	1.9
124.01530	3.1
125.02277	1.6
125.41394	1.0
135.04385	1.6
137.02318	2.7
138.03123	19.0
139.03900	3.2
143.03397	2.7
149.02322	1.5
149.05988	1.3
150.03113	3.0
151.03886	1.6
153.01826	1.7
153.05478	15.5
161.04442	2.3
165.05479	5.0
171.06203	0.9
175.00294	1.1
177.01747	1.2
178.02298	1.1
179.05580	1.7
187.03894	4.1
188.04579	1.5
189.05490	2.1
190.02617	3.1
191.06973	1.1
201.05511	1.3
202.06244	3.3
203.07072	4.6
205.05031	4.4
218.05719	1.1
221.08200	2.6
223.06050	1.9
233.08148	9.1
265.09006	1.3
303.19666	2.8
311.05353	1.7
313.07147	2.2
325.07199	1.4
326.07895	1.2
327.08704	3.8
328.09436	1.5
329.10400	1.7
340.09436	1.8
341.10248	2.1
343.12198	1.6
344.08954	2.8
346.79214	1.4
355.11880	3.7
356.08997	2.8
358.10507	6.5
359.11301	12.3
367.10437	4.9
371.11221	8.4
372.11963	1.9
373.12888	15.3
374.13220	1.6
386.09134	1.0
386.13721	4.7
389.12466	6.5
392.94141	1.2
398.81104	1.2
401.16113	5.7
402.16306	1.7
404.14642	10.5
405.15445	5.6
419.11389	1.5
419.17108	44.9
420.17468	5.1
566.20154	7.1
581.22388	100.0
582.13635	2.3
582.22577	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	581.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67817	0.3
55.01770	0.6
57.03318	2.5
58.00459	1.5
59.01246	33.5
63.39479	0.3
69.35899	2.4
71.01250	22.3
72.01600	0.4
72.99187	1.8
73.02795	2.0
75.00742	0.5
83.01250	1.6
85.02821	16.9
86.03175	0.4
87.00725	1.6
89.02314	22.9
90.02637	0.4
93.03363	0.5
95.01257	2.0
95.04907	0.3
97.02788	0.5
97.06458	0.4
99.00763	0.8
99.04364	0.4
101.02317	13.7
101.05962	0.7
103.00220	0.6
103.03886	26.3
108.02052	0.5
109.02833	0.8
111.00762	0.4
113.02325	8.4
115.03886	0.5
119.03382	10.2
119.04810	0.4
121.02809	0.5
123.04457	0.4
125.02336	1.0
126.11339	0.3
127.03903	1.5
131.03401	0.7
137.02303	0.7
137.99422	0.6
138.03120	0.6
139.00288	0.4
139.03856	0.5
143.03389	1.3
145.02968	0.3
145.04955	1.1
149.02374	0.5
149.04456	0.9
150.03120	0.5
151.03911	0.6
152.01030	0.8
153.01759	0.4
159.30731	0.4
161.02348	0.5
161.04497	2.0
163.03873	0.6
164.04712	0.6
165.05426	0.5
175.03911	0.5
177.05458	0.5
179.05544	2.5
187.03964	0.5
190.02655	1.1
195.06516	0.4
197.04518	0.5
202.06212	0.7
205.05000	1.8
219.10179	0.4
220.07227	0.5
221.08281	0.3
223.06117	0.6
235.09801	0.4
245.04588	0.3
247.08249	1.3
265.09265	100.0
266.09613	5.2
271.19156	0.9
273.16974	2.0
277.09213	0.5
279.15878	0.5
285.03976	0.7
285.16962	0.5
289.09308	1.5
301.09280	1.0
315.07172	0.5
333.08243	22.2
333.19083	1.9
334.08536	1.4
334.93494	0.4
341.10361	1.0
367.10455	0.5
377.28998	0.5
389.16068	0.4
401.15964	5.3
402.16458	0.8
433.65088	0.4
440.44266	0.4
520.32465	0.5
521.33411	4.5
522.33423	0.4
533.16583	1.1
537.20624	0.5
539.34381	0.9
581.20776	11.9
581.28369	3.7
582.21271	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.8
55.50836	0.8
57.03322	4.2
57.18227	0.7
57.55809	0.7
58.00449	1.2
58.44075	0.8
59.01250	44.7
60.01575	1.0
61.98703	19.0
65.03856	0.9
67.01740	1.1
69.03325	1.5
71.01254	19.7
71.52592	1.6
72.99164	2.6
73.02818	8.2
75.00745	2.2
76.39094	0.7
78.51494	0.7
78.95808	0.8
81.03339	1.2
83.01258	4.9
83.04905	1.8
85.02819	12.0
86.03127	1.0
87.00758	2.4
87.04415	1.3
89.02303	5.4
93.03333	3.6
95.01254	2.6
95.04905	1.0
96.95883	1.5
97.02821	2.1
97.06475	0.9
99.00735	3.9
99.04396	1.1
101.02316	13.6
103.03885	2.5
106.04128	1.5
106.06474	1.2
107.01248	1.3
107.04915	2.7
108.02047	20.3
108.04412	1.2
109.02841	16.5
111.00759	1.7
113.02338	8.4
119.03391	1.7
119.04914	3.3
121.02841	28.2
121.06471	0.7
122.03635	23.7
123.00793	1.4
123.04381	3.5
123.08032	3.3
125.02346	2.8
133.02858	2.1
134.03613	2.6
135.04405	3.5
136.07530	0.8
137.02365	2.3
138.03145	1.0
143.03442	1.0
146.03612	1.4
147.04382	2.2
149.02336	13.6
149.06009	1.0
149.09615	1.4
150.03166	6.6
151.00304	4.4
151.03874	1.7
152.01071	14.3
152.03421	1.3
152.07037	1.0
153.01843	7.5
159.03009	0.9
159.04417	2.1
159.08072	1.6
160.01595	1.0
161.02379	6.6
161.04448	2.8
161.05946	1.0
162.03078	1.8
163.03925	3.4
163.07521	1.3
165.01822	1.0
165.05435	0.8
166.05054	1.0
166.70052	0.8
167.03362	1.0
169.01318	1.6
173.14735	0.7
174.03011	1.2
175.00313	1.0
175.03893	1.9
175.07524	1.7
177.01836	0.8
178.02679	1.6
179.05408	1.0
182.02104	1.8
188.07045	2.0
189.05461	1.5
190.02713	1.6
191.10712	23.7
192.11020	1.3
193.04958	1.5
195.13817	6.3
201.14838	1.3
203.07062	1.1
205.05005	1.2
210.03998	0.8
215.10655	2.0
217.08755	0.8
223.06044	1.1
231.13832	3.1
241.14401	22.7
242.14835	1.3
243.13860	7.6
253.09212	0.8
261.14926	100.0
262.15289	8.0
265.09320	1.2
265.14465	2.3
269.04471	1.8
270.04807	1.1
273.14972	1.2
275.16595	0.9
285.04004	1.1
285.14999	3.0
287.12869	1.4
289.14456	54.8
290.14639	5.3
303.12610	1.4
303.15921	5.6
313.14731	1.4
315.12439	1.2
317.78531	0.8
331.15524	1.1
331.25089	1.1
333.13376	27.0
333.19342	2.6
334.13708	2.1
345.13480	1.8
359.27658	2.1
375.14651	3.9
377.28925	1.7
423.20276	1.0
463.13153	2.5
465.21262	1.6
477.30536	2.2
493.21066	1.4
495.19128	1.1
506.15662	1.4
519.31641	1.1
520.31976	6.0
521.33142	30.5
522.33002	1.8
537.19812	15.7
538.20050	1.5
538.32678	1.4
539.34039	4.0
540.33618	1.0
580.34735	0.9
581.15485	11.1
581.23364	4.2
581.36493	4.7
582.16180	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	581.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	5.2
58.00460	1.3
59.01249	100.0
61.98701	36.9
63.48526	1.3
65.03815	2.0
69.03302	2.5
70.54920	2.4
70.55315	2.9
71.01251	50.2
72.99168	3.7
73.02815	37.1
75.00753	2.2
78.95829	1.2
80.51723	1.3
81.03362	2.2
83.01257	13.5
83.98997	3.8
85.02830	17.6
87.00738	4.8
89.02311	17.9
93.03326	3.8
95.01249	4.6
96.95895	4.2
97.02831	2.9
99.00714	3.3
99.04341	1.4
101.02319	39.7
103.03872	4.2
107.01239	2.4
107.04894	2.2
108.02045	6.3
109.02833	7.8
111.00742	2.6
113.02335	14.3
113.05962	1.4
119.03365	5.8
119.04887	7.0
121.02837	21.4
122.03665	9.8
123.00832	1.3
123.04390	2.0
125.02358	1.9
131.03334	2.1
133.02817	3.7
134.03616	4.0
135.04382	2.9
137.02353	3.3
139.03900	1.4
143.03392	3.1
149.02357	14.9
149.04370	3.0
150.03134	8.1
151.00270	5.5
151.03882	1.8
152.01071	2.1
159.04430	4.4
160.03853	3.2
161.02353	10.8
161.04466	7.9
161.05783	2.1
162.03125	2.7
163.00282	1.4
163.03860	4.2
163.07573	2.3
164.04724	2.5
165.05423	2.3
167.03395	2.0
171.04494	1.5
173.06003	2.5
175.00230	2.2
175.03883	3.1
176.01033	2.3
179.03593	1.2
179.05502	2.2
179.06975	1.8
182.02060	1.9
187.03896	4.5
189.05481	2.4
190.02635	10.0
191.03346	3.5
193.04980	2.7
195.06593	1.6
201.05502	2.3
203.07114	2.3
204.01146	5.1
205.01405	3.6
205.05002	10.3
223.06036	5.1
227.03371	9.2
229.05006	1.9
239.11005	1.4
241.12193	3.1
243.13855	53.8
244.14241	5.5
245.15385	6.1
255.02922	17.6
256.03418	3.9
257.04581	2.0
261.14944	8.3
265.09351	2.1
269.04520	4.3
271.10370	2.1
271.13382	36.7
272.13602	3.3
273.14865	13.7
284.03253	15.9
285.04022	26.1
286.04221	1.6
287.13129	1.9
289.14490	4.4
315.12436	3.1
317.13693	1.9
333.13419	4.1
405.19250	11.8
406.19757	1.5
423.20123	22.1
424.20325	2.4
433.18735	1.9
451.19849	7.9
465.21274	46.1
466.21759	8.4
477.30350	1.5
493.14453	2.3
493.20831	26.1
494.20886	2.5
495.18723	14.7
509.24051	2.8
519.18927	4.3
521.32782	5.4
537.19690	43.8
538.20233	6.7
539.28680	1.5
547.20209	1.5
563.21259	1.7
569.41296	1.3
581.12585	15.6
581.25653	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	581.1824
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
51.15639	1.5
59.01250	3.3
61.98688	2.0
66.09355	1.8
69.24589	16.2
78.95773	100.0
83.31099	1.7
96.95871	7.3
96.96835	5.2
98.95432	3.6
99.92443	13.7
105.44253	1.7
115.91953	32.9
116.91927	3.2
116.92720	29.4
117.92734	1.9
150.97903	4.6
152.99477	25.2
164.90390	3.1
171.00545	15.0
172.95390	6.0
178.88368	4.4
179.89125	36.4
180.89955	26.6
181.90672	2.3
194.87813	2.3
196.89418	49.8
204.89873	2.6
205.90712	2.4
206.91446	3.6
208.89442	3.2
221.90230	2.6
235.91801	8.7
236.92592	27.0
245.04289	4.3
252.92081	3.8
270.93103	2.3
276.95706	3.0
278.93573	5.4
281.24887	5.9
282.25110	2.4
310.96274	7.8
473.14029	5.4
481.25555	7.4
490.14249	6.1
506.32492	2.9
515.14966	2.2
545.16235	5.2
563.16803	5.2
566.11273	3.8
581.18604	53.5
582.18866	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03298	3.1
58.00454	2.7
59.01252	20.2
61.98684	1.3
69.07050	1.2
69.47700	7.6
71.01259	10.6
73.02800	3.7
83.01265	2.6
85.02809	7.2
87.00745	5.0
89.02310	4.7
91.01791	1.4
95.21027	1.1
99.00762	1.4
101.02308	5.7
103.03846	1.9
108.02027	4.9
109.02821	3.2
111.00793	1.3
113.02342	5.6
119.01247	5.6
119.03352	1.9
119.04883	1.8
121.02845	5.8
122.03622	1.3
123.04381	3.1
125.02349	1.0
135.04384	2.7
145.02869	2.8
147.00745	4.7
147.04411	1.9
148.01605	1.3
149.02342	31.4
150.03117	39.0
150.24948	1.3
151.03897	3.4
152.01056	6.1
153.01743	1.4
153.05464	1.2
161.02310	4.1
161.04431	1.6
162.03127	5.0
163.03900	5.0
164.04686	22.5
165.01849	2.3
165.05484	21.9
175.00290	38.5
176.00940	3.3
177.05441	2.0
179.03398	3.0
179.07024	3.9
180.04164	3.8
187.13420	1.3
190.02641	98.7
191.03314	8.3
193.01276	2.2
195.06564	19.5
205.04997	100.0
206.05371	5.8
208.03757	2.0
209.04420	2.0
223.06071	19.9
224.06345	1.7
249.09700	1.2
265.09344	5.0
269.04352	2.0
270.04819	3.1
271.05148	2.7
272.05569	1.7
289.09140	1.3
316.63940	1.2
333.19144	2.0
352.07980	1.5
353.08432	2.7
367.10306	52.8
368.10818	6.6
377.28952	1.4
404.24637	1.1
521.33289	16.5
533.16608	83.3
534.17108	13.8
539.34186	1.9
563.18097	5.7
563.25476	1.3
581.19360	9.0
581.28711	2.4
582.19653	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	580.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80756	2.3
57.03313	4.0
57.97427	3.5
59.01245	61.6
61.98701	14.7
65.00185	2.8
69.27451	6.9
69.27843	25.2
71.01255	20.5
72.99139	2.8
73.02831	7.4
73.44566	2.6
75.19135	2.8
83.01280	2.6
83.04907	3.1
83.98999	15.2
85.02831	9.4
89.02294	4.7
93.03309	3.4
95.01263	6.5
96.95901	3.2
99.00766	3.3
101.02328	8.2
103.03896	8.6
106.04113	4.2
108.02029	8.3
109.02850	3.9
113.02339	4.9
119.04906	8.3
121.02810	15.0
123.00741	3.6
125.02359	3.2
133.02843	3.6
135.04410	5.2
137.02325	3.1
147.07985	3.2
148.01501	2.7
150.03169	2.7
151.00232	13.9
152.00706	3.5
161.02292	3.6
162.00171	4.4
163.03883	2.7
171.04428	2.8
175.07513	6.8
177.01859	2.9
187.07779	3.0
190.02686	3.5
201.05528	4.1
203.07050	11.9
204.01163	39.4
215.14366	4.7
243.13850	15.8
259.13400	6.2
261.14929	8.6
263.55704	3.0
269.04584	3.8
269.11649	3.2
271.13562	13.8
285.14847	4.6
287.12961	9.8
289.14465	22.5
299.16476	4.3
332.15042	11.0
333.13525	5.9
447.20041	6.4
491.19211	100.0
491.26422	4.9
492.19547	11.6
496.09158	3.8
518.20380	13.6
536.21405	28.1
537.22089	11.7
562.22852	3.3
580.15649	26.1
580.23712	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	580.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	4.5
57.86771	2.1
57.97439	2.9
59.00954	4.6
59.01249	92.8
60.01576	3.4
60.06248	2.2
61.98701	35.4
65.00196	3.3
69.03335	2.8
71.01253	29.1
71.52592	2.7
71.52974	2.2
72.99191	2.8
73.02818	16.1
75.00755	3.1
79.14286	2.3
80.59336	1.9
83.01254	9.4
83.04882	2.0
85.02814	14.3
87.00737	3.0
89.02317	8.8
93.03308	4.5
95.01254	7.8
96.95887	2.2
99.00749	5.0
101.02314	18.8
103.03913	2.8
103.76237	2.0
107.01286	5.0
108.02034	7.8
109.02840	5.4
113.02321	10.2
119.04911	11.9
120.05269	3.2
121.02849	20.4
123.00791	2.7
123.04390	3.3
124.01485	2.7
125.02312	4.2
133.02831	3.6
134.03633	4.1
135.04475	5.9
137.02368	3.3
145.02794	4.1
147.04358	3.3
149.02376	5.0
150.03088	2.5
151.00258	15.8
152.00916	5.2
157.06598	2.1
159.04364	3.7
161.02412	3.9
161.04454	2.9
161.05933	3.6
163.03865	3.5
164.04677	2.3
166.02576	3.3
167.03401	2.6
173.05916	2.2
175.03897	4.8
175.07533	3.2
177.01808	3.5
177.12724	2.2
179.10902	2.8
187.03908	4.2
188.04651	3.2
189.05447	2.1
190.02603	4.7
201.05446	3.8
202.06262	2.9
203.07127	11.9
204.01210	3.4
205.04912	6.8
215.14427	2.4
218.99963	3.8
219.06538	3.5
227.14368	3.2
229.08565	2.6
233.08163	2.2
234.94881	2.2
243.13802	7.0
245.08234	3.0
245.15428	5.7
246.67336	2.5
261.14835	5.0
269.04437	3.4
269.11780	4.5
271.02481	3.8
271.05975	6.6
271.13303	11.9
272.06369	4.0
285.14969	3.2
287.12830	9.5
287.16190	2.3
288.13284	2.0
289.14423	22.7
300.02979	3.1
305.13959	2.4
309.11890	3.4
314.14194	3.3
316.15436	6.0
332.15045	2.7
447.20010	3.9
460.11920	2.3
475.19168	2.4
491.19223	100.0
492.19528	12.3
518.20392	17.7
535.21985	11.9
535.29724	2.9
536.21320	44.6
536.31268	8.9
537.21753	9.8
562.22516	2.8
580.17126	8.9
580.24799	15.7
581.12402	3.0
581.25250	16.5
592.39240	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	580.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.7
59.00954	5.1
59.01249	100.0
61.98701	12.9
64.48553	2.4
65.00169	3.2
67.28226	2.4
69.17944	27.0
71.01250	24.1
72.99177	3.2
73.02805	12.3
75.00739	3.1
83.01247	5.9
85.02826	13.8
85.99985	3.7
87.00749	7.6
89.02326	7.7
91.01795	2.5
93.03338	2.8
95.01237	3.7
96.95916	2.7
101.02327	12.0
103.03873	2.9
103.73137	2.5
104.12178	2.8
106.22594	2.8
107.01236	4.3
107.04910	3.3
108.02042	6.4
109.02837	5.7
110.64793	2.3
113.02335	5.4
119.04900	9.3
121.01022	2.3
121.02827	11.2
122.03615	9.0
123.04402	3.3
125.02322	2.7
133.02858	4.8
135.04413	4.9
137.02296	3.8
145.02785	4.5
145.06514	3.8
149.02332	6.5
151.00243	11.0
152.01041	5.3
157.06499	2.9
159.04451	3.0
159.08034	2.9
161.02336	10.4
161.04417	3.4
165.01808	4.6
175.11217	2.5
175.24290	2.5
177.01842	6.1
187.03960	3.0
188.04596	2.8
189.14346	2.7
191.10684	3.9
203.07043	7.8
227.14311	3.0
243.13818	5.6
261.14993	5.8
265.09061	3.7
269.11932	2.9
271.05966	4.8
271.13339	16.0
287.12802	8.6
289.14505	17.8
327.15601	3.2
369.16782	3.6
375.14474	4.4
387.18155	4.4
431.17236	11.8
449.18008	3.3
462.29199	4.2
473.18506	4.0
491.19168	78.0
492.19501	10.7
518.20160	10.3
535.21887	4.8
536.21338	87.6
537.21875	7.8
580.23907	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	580.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97635	0.5
58.10491	0.4
59.01247	10.2
59.02728	0.5
61.98701	100.0
71.52676	0.8
78.95786	0.8
101.97974	3.6
119.04897	0.5
120.63125	0.4
126.66056	0.4
143.99051	10.2
328.67435	0.5
450.19214	0.8
459.49295	0.5
580.17908	12.2
581.18579	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	41.1
61.98701	10.3
69.03333	1.8
69.87074	7.6
69.87497	2.8
71.01248	13.2
72.99150	2.0
73.02805	12.1
73.91425	1.7
81.14774	1.9
83.01265	3.8
85.02788	2.7
85.24260	2.0
85.24858	1.8
87.00769	2.5
93.03352	2.6
99.57841	1.9
101.02309	6.6
108.02078	4.0
109.02841	4.4
113.02306	1.8
119.04905	5.3
121.02831	9.9
122.03686	4.3
124.01545	2.0
130.04140	6.7
133.02861	3.8
136.01524	3.3
144.05728	2.4
145.02834	6.6
145.06462	6.7
149.02361	4.1
150.03082	3.2
150.82631	1.9
151.00258	4.2
152.01027	1.9
157.06500	3.2
159.04428	2.3
161.02347	7.2
161.81755	1.8
162.03160	2.7
163.03903	2.3
165.01845	3.4
177.01849	8.3
187.03941	12.7
188.04691	7.3
201.05452	2.7
203.07108	3.4
209.09697	2.4
219.06422	2.0
227.14450	3.6
241.12213	2.1
243.13870	6.2
245.15446	4.1
264.84164	2.0
269.09171	3.0
269.11829	46.6
270.12125	3.4
271.13382	28.1
272.13556	2.7
283.76535	2.3
287.09750	3.9
287.12888	60.9
288.13104	2.8
289.14496	30.2
298.14551	2.4
314.13834	2.1
316.15390	13.6
329.13962	2.7
402.64014	1.9
431.17154	4.8
449.18295	2.0
491.19183	74.0
492.19669	8.5
494.20209	8.0
495.20959	2.3
518.20374	11.6
536.21356	100.0
537.21765	14.5
580.17249	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	579.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	3.2
57.03290	5.2
58.00452	2.4
59.01249	100.0
61.98698	17.1
65.00180	12.1
71.01250	34.8
72.99156	4.2
73.02814	18.5
75.00708	2.6
80.96353	5.0
81.03293	2.3
83.00827	1.5
83.01263	14.1
83.04858	3.1
85.02817	17.6
87.00713	5.0
89.02308	11.3
93.03298	7.1
95.01249	3.4
96.95823	2.5
97.02812	2.4
99.00797	9.1
101.02312	22.2
103.03841	2.5
106.08532	1.8
107.01250	15.7
108.02038	4.0
109.02810	3.0
111.00723	6.3
113.02338	15.0
119.03352	4.6
119.04909	36.6
121.02835	8.6
122.03602	3.2
123.04345	4.3
125.02255	6.3
134.03526	2.4
135.04393	3.0
136.01515	1.9
137.02238	5.3
137.09523	2.0
143.03302	2.2
145.02782	6.0
149.02266	6.2
151.00270	70.0
151.03807	2.1
152.00909	2.9
153.01749	1.9
156.00578	12.0
160.03874	1.7
161.02306	2.9
161.04454	4.0
163.03873	2.7
164.04648	3.1
164.12851	2.0
165.01793	4.2
165.05350	2.0
166.02596	2.4
167.03316	3.1
169.01254	2.6
175.00148	4.3
175.03940	2.2
175.07452	4.1
177.01727	5.4
181.05029	2.7
187.03708	3.0
190.02510	8.2
191.03366	2.7
205.04851	6.2
223.05972	2.5
227.06985	2.3
243.13725	3.0
245.15263	3.0
261.14777	2.5
269.04504	14.6
270.04752	9.4
271.06128	52.4
272.06299	4.6
285.24045	2.2
314.13815	3.3
315.15842	6.6
322.84305	1.8
331.24673	4.7
392.10669	2.9
417.15332	3.0
422.58139	2.0
458.08154	2.2
459.11407	17.2
460.11038	2.8
475.28836	11.1
493.23120	2.2
493.30118	35.2
494.29657	5.2
519.30554	8.2
535.31195	94.0
536.14697	2.2
536.20911	24.3
536.31067	10.2
579.16553	62.1
579.23895	6.3
579.32520	10.6
580.17157	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	579.284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	6.3
61.98702	21.4
63.58988	1.1
63.96096	1.4
71.01252	7.7
73.02811	2.1
75.00738	2.0
78.95778	9.9
78.98458	7.0
79.95602	9.7
80.96387	69.6
85.02815	2.9
87.00739	4.2
93.88938	1.0
94.97955	16.7
96.95882	46.9
97.02814	1.1
99.00740	1.4
101.02322	2.8
101.24913	1.2
106.97958	2.9
109.39951	1.2
122.97471	3.4
125.02314	2.1
133.35054	1.0
134.97441	4.8
136.99007	2.2
147.04358	4.0
148.04720	1.2
148.99017	6.7
151.00305	1.3
152.98448	5.8
152.99503	4.0
164.98512	13.8
170.06068	1.1
171.00606	1.7
206.99593	1.7
224.06841	1.2
225.00676	15.4
242.07918	1.3
245.04303	3.6
252.06326	1.3
253.21671	1.8
270.13171	1.1
279.23315	2.7
281.24884	18.3
299.04388	3.2
343.00998	2.3
481.25479	4.2
481.51358	1.2
506.32571	12.5
578.35309	2.1
579.28320	100.0
579.36017	9.0
580.14600	1.5
580.28668	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	579.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	3.2
57.03290	5.2
58.00452	2.4
59.01249	100.0
61.98698	17.1
65.00180	12.1
71.01250	34.8
72.99156	4.2
73.02814	18.5
75.00708	2.6
80.96353	5.0
81.03293	2.3
83.00827	1.5
83.01263	14.1
83.04858	3.1
85.02817	17.6
87.00713	5.0
89.02308	11.3
93.03298	7.1
95.01249	3.4
96.95823	2.5
97.02812	2.4
99.00797	9.1
101.02312	22.2
103.03841	2.5
106.08532	1.8
107.01250	15.7
108.02038	4.0
109.02810	3.0
111.00723	6.3
113.02338	15.0
119.03352	4.6
119.04909	36.6
121.02835	8.6
122.03602	3.2
123.04345	4.3
125.02255	6.3
134.03526	2.4
135.04393	3.0
136.01515	1.9
137.02238	5.3
137.09523	2.0
143.03302	2.2
145.02782	6.0
149.02266	6.2
151.00270	70.0
151.03807	2.1
152.00909	2.9
153.01749	1.9
156.00578	12.0
160.03874	1.7
161.02306	2.9
161.04454	4.0
163.03873	2.7
164.04648	3.1
164.12851	2.0
165.01793	4.2
165.05350	2.0
166.02596	2.4
167.03316	3.1
169.01254	2.6
175.00148	4.3
175.03940	2.2
175.07452	4.1
177.01727	5.4
181.05029	2.7
187.03708	3.0
190.02510	8.2
191.03366	2.7
205.04851	6.2
223.05972	2.5
227.06985	2.3
243.13725	3.0
245.15263	3.0
261.14777	2.5
269.04504	14.6
270.04752	9.4
271.06128	52.4
272.06299	4.6
285.24045	2.2
314.13815	3.3
315.15842	6.6
322.84305	1.8
331.24673	4.7
392.10669	2.9
417.15332	3.0
422.58139	2.0
458.08154	2.2
459.11407	17.2
460.11038	2.8
475.28836	11.1
493.23120	2.2
493.30118	35.2
494.29657	5.2
519.30554	8.2
535.31195	94.0
536.14697	2.2
536.20911	24.3
536.31067	10.2
579.16553	62.1
579.23895	6.3
579.32520	10.6
580.17157	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	579.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.8
59.01250	13.9
61.98701	3.2
69.38367	6.0
69.38796	4.5
71.01247	8.7
73.02811	3.5
75.00719	1.7
81.03343	1.4
83.01260	2.7
85.02820	11.7
87.00755	2.0
89.02319	6.5
93.03326	1.7
95.01283	2.1
99.50515	1.2
100.99027	1.3
101.02303	6.5
108.02031	2.8
109.02810	4.8
111.00758	2.3
113.02319	4.3
119.03400	1.3
120.99518	3.0
121.02866	3.3
123.00774	3.8
123.04376	2.6
125.02313	1.8
132.04449	1.5
137.02356	14.3
149.02335	1.5
150.03174	2.1
150.05585	1.6
151.00281	21.6
151.01466	1.0
151.03911	3.2
151.07552	4.0
151.16362	1.1
151.37059	1.2
152.01030	4.1
152.04715	3.6
153.01851	1.3
161.04404	2.6
165.01831	1.9
166.02617	59.7
167.03288	5.0
168.06529	2.2
175.03770	2.2
176.04660	5.8
177.01793	3.7
178.40656	1.2
179.03351	1.4
179.05533	1.6
179.07048	1.2
181.04973	77.3
182.05299	3.1
183.02911	1.4
191.01889	2.3
191.03432	2.3
191.07083	7.3
192.04140	1.5
193.04999	2.5
195.06554	9.8
205.04913	1.3
205.08627	2.2
207.06566	2.0
209.02945	4.8
209.51776	1.2
218.66666	1.3
219.06667	1.9
223.05898	1.4
265.09195	1.8
269.04507	3.8
270.04782	2.7
271.05313	2.5
331.13025	6.5
345.13528	3.3
357.11743	4.5
360.11838	1.3
375.14459	1.7
385.11313	2.6
387.10831	17.7
388.11285	1.5
402.13342	7.2
417.15546	100.0
418.15799	14.1
437.71332	1.3
503.79001	1.4
519.24329	2.9
535.18762	1.9
579.16730	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	579.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04107	0.4
59.01236	0.9
60.10638	0.4
61.98701	9.2
63.96135	0.8
69.03365	0.7
69.45720	0.7
69.46124	3.4
71.01247	8.8
72.99192	0.6
73.02816	2.1
78.98457	6.1
79.95605	12.5
80.96387	73.5
81.03338	0.9
85.02807	2.8
86.08247	0.6
87.00752	3.0
94.97957	18.0
96.95872	2.3
97.02813	2.2
98.19752	0.6
98.20358	1.6
99.04429	0.7
101.02321	4.1
106.97977	3.4
114.68300	0.4
122.97455	5.1
125.02330	3.1
126.48631	0.5
127.03867	0.9
134.97478	4.1
136.99014	1.3
148.99028	6.8
152.98531	7.0
164.98528	11.5
182.99565	2.4
206.99620	2.9
225.00688	18.0
226.00989	0.7
243.01747	1.7
279.23187	3.0
299.04355	3.1
565.29822	0.6
579.28394	100.0
580.28729	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	579.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36219	1.3
57.03322	6.6
59.01251	78.6
61.98703	33.8
65.00191	5.4
68.62502	1.4
69.03315	2.3
69.37215	13.8
69.70864	1.5
71.01257	28.6
72.99178	5.1
73.02813	14.7
75.00742	2.4
80.96407	4.8
83.01254	8.9
83.04919	3.3
85.02822	26.3
87.00768	5.2
87.04388	1.4
89.02325	8.6
89.58231	1.7
93.03314	7.2
95.01305	1.4
97.02859	2.9
98.19807	3.0
99.00758	2.8
99.04393	3.1
101.02322	17.6
101.05998	2.3
103.03893	27.3
106.04147	3.3
107.01261	10.7
107.04930	4.4
108.02088	10.0
109.02851	8.5
111.92859	1.7
113.02341	12.3
115.00298	3.1
119.03429	4.0
119.04903	23.6
120.05315	1.8
120.99577	2.0
121.02832	9.0
121.06477	7.2
122.03626	1.8
123.04433	3.2
125.02352	5.3
133.01352	3.2
134.52844	1.5
135.00815	1.7
135.04457	3.4
137.02370	4.7
138.03146	2.4
143.03403	2.1
143.04950	5.0
145.02876	5.0
147.08063	2.0
149.02365	12.9
149.05956	2.0
150.03159	6.4
151.00279	38.5
151.03824	1.8
152.01064	10.5
153.01816	7.6
156.00575	1.9
157.06609	2.2
159.04454	1.9
159.08055	11.6
160.04002	3.9
161.02319	7.3
161.04494	4.6
161.05968	3.4
162.03181	2.2
163.03932	3.2
164.04695	2.7
165.01817	3.6
165.05557	1.5
166.02682	4.7
167.03432	3.2
169.01323	1.5
175.00307	5.1
175.03989	3.1
175.07516	2.7
177.01880	4.0
179.03467	1.7
181.05031	3.5
185.06070	2.1
187.03944	3.2
189.05594	1.9
190.02652	5.1
190.06348	2.5
191.03519	2.1
191.07159	2.3
195.06589	1.5
199.07700	2.5
201.05617	2.4
202.06146	1.4
203.07053	11.6
205.05116	6.4
206.05562	1.9
211.11226	2.2
223.06122	3.9
227.07155	3.8
228.02985	2.0
229.08652	2.0
231.13995	3.2
235.02516	1.8
243.13931	2.5
245.08209	4.3
253.08937	1.9
259.13391	7.4
265.09293	5.0
268.03867	3.3
269.04459	9.1
269.11752	7.3
270.04959	5.7
271.06158	29.4
272.06439	2.8
285.04047	1.8
285.11502	1.5
287.12952	8.6
289.14581	4.4
299.09433	2.3
299.13199	1.5
303.12357	2.2
308.21921	1.7
312.12659	4.2
313.07330	3.0
313.10681	3.9
331.11874	50.1
332.12332	4.5
341.23624	2.4
342.23648	1.6
343.24161	2.2
345.13644	2.0
357.26526	3.2
373.12906	18.8
374.13678	1.6
401.25797	1.5
417.15561	4.3
433.15009	2.5
451.16565	2.5
459.11551	8.0
491.19064	2.5
493.17020	7.1
493.30298	2.4
519.31635	8.1
535.21246	13.4
535.31421	9.1
536.21558	5.1
547.18951	1.6
561.20154	6.7
561.30670	1.5
579.21106	100.0
579.32581	7.3
580.21198	17.5
582.28845	1.8
587.10553	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	579.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.6
57.03315	1.4
59.00957	0.8
59.01249	12.8
60.01586	0.5
63.15651	0.4
63.75912	0.4
65.41656	0.6
65.85609	0.4
67.01730	0.5
69.03312	0.5
69.54750	0.9
69.55143	2.8
71.01246	8.3
73.02814	3.0
81.03330	1.2
83.01244	1.6
83.04881	1.1
85.02818	5.4
85.06467	1.0
87.00743	1.4
89.02312	3.4
91.01750	0.8
93.03330	1.6
95.01241	2.2
95.04935	0.6
99.00766	0.9
101.02324	4.5
103.03896	0.6
107.04906	0.6
108.02045	51.5
109.02838	33.8
111.00768	0.8
113.02325	4.2
115.00300	0.5
119.03401	1.3
119.04921	1.6
121.02817	1.1
121.06457	1.2
122.03613	0.5
123.00787	1.2
123.04372	0.6
123.08018	1.2
125.02341	1.0
133.02809	0.6
134.03593	0.6
135.00775	2.5
135.04376	0.8
137.02336	1.2
137.05965	0.6
137.09612	0.7
139.03877	0.6
143.03415	0.6
147.04422	1.0
149.06059	0.5
151.00259	1.9
151.03891	0.9
152.01051	56.0
153.01843	18.2
153.05424	0.5
161.04410	1.4
163.03899	1.8
163.07463	0.5
164.04601	0.7
165.01863	1.6
165.05461	1.2
167.03374	1.0
171.11690	1.0
175.02512	0.4
175.11049	0.4
179.05470	0.5
181.04993	0.6
189.02045	0.5
189.09149	1.1
189.12694	0.7
190.02621	0.5
191.03366	0.8
191.10692	0.9
195.02875	0.5
201.12733	0.4
207.10237	0.7
209.02980	0.6
217.08607	0.8
219.39351	0.4
225.04028	0.5
229.18250	0.4
234.08945	0.7
235.09708	2.1
237.14883	2.0
265.09415	0.8
271.05984	1.5
281.13998	1.2
297.06534	0.7
315.07224	10.5
316.07376	0.7
349.30243	0.5
353.08432	0.6
369.06989	0.5
417.15729	0.4
519.24524	0.6
519.32294	4.7
537.33118	0.5
579.20819	100.0
580.21161	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	579.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.5
58.23904	0.2
58.32679	0.2
59.01248	2.2
61.98690	1.0
63.02265	2.6
65.00191	14.3
66.00540	0.2
68.99683	0.5
69.03351	0.3
69.32648	0.7
69.33072	0.9
71.01247	1.9
72.99159	0.3
73.02824	0.8
75.00739	0.3
76.58636	0.2
78.77309	0.2
80.02534	0.2
80.38373	0.2
81.03323	0.6
83.01250	8.4
84.01556	0.3
85.02818	1.9
87.00758	0.5
88.98660	0.2
89.02314	0.9
93.03333	6.5
93.43553	0.2
95.01254	0.3
96.95879	0.3
97.02836	0.3
99.00742	0.4
101.02310	0.9
103.03887	0.2
105.10901	0.2
107.01266	24.0
107.04938	0.2
108.02150	1.2
108.99203	0.2
109.02812	0.5
111.00768	0.3
113.02304	0.6
117.03329	1.1
119.04909	45.5
120.05245	1.5
120.99574	0.2
121.02834	0.8
123.00730	0.3
123.04366	0.4
125.02335	5.2
126.02630	0.2
131.01245	0.3
133.02832	0.4
135.00739	0.3
136.01537	1.1
136.93459	0.2
137.02350	0.8
143.04910	1.3
145.02838	5.4
149.02307	1.1
151.00266	100.0
152.00594	3.6
153.01878	0.2
157.06554	0.2
159.04500	0.2
161.02350	0.4
161.04659	0.3
161.05946	1.7
164.01045	1.4
165.01828	4.5
166.02419	0.2
167.03363	0.3
169.01326	3.3
171.04526	0.3
173.56458	0.2
175.00267	1.9
175.02443	0.2
175.03981	0.2
177.01845	7.4
178.02055	0.2
184.05240	0.3
185.05986	2.7
187.03937	3.1
188.04369	0.2
190.02686	0.2
191.01852	0.5
193.01357	2.4
196.00116	1.1
199.07368	0.2
203.07014	0.4
205.01370	0.9
209.02829	0.4
217.01350	0.3
227.07092	3.9
228.07605	0.2
229.05066	0.9
235.02408	2.5
241.04929	0.5
253.03297	0.3
267.06790	0.2
269.04517	1.2
270.05292	1.0
271.06097	65.1
272.06421	5.2
285.87729	0.2
286.97681	0.2
295.06345	0.5
313.07187	3.9
337.07126	0.2
339.07074	1.2
357.08035	0.4
373.09225	1.6
387.10614	0.5
415.10599	0.3
417.11765	0.5
433.13034	0.4
441.10571	0.5
459.11478	23.9
460.11871	2.3
473.13034	0.2
477.12143	0.3
519.24573	0.4
560.22345	0.2
579.17133	85.8
580.17505	12.1
580.26746	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17265	0.3
59.58881	0.3
63.02268	1.7
65.00191	8.2
69.19074	3.9
71.01254	0.5
76.29386	0.3
78.76506	0.3
79.45358	0.3
83.01262	5.1
93.03329	5.9
95.01315	0.4
101.54762	0.4
102.25462	0.3
107.01265	12.9
119.04915	29.7
120.05246	1.4
121.02872	0.5
122.18099	0.4
122.38649	0.3
125.02338	2.3
131.01219	0.6
136.01520	0.4
137.02374	0.6
143.04961	1.1
145.02867	1.9
151.00273	49.5
152.00551	1.6
161.05968	0.7
164.01064	0.6
165.01828	3.0
169.01352	1.2
175.00293	4.0
177.01846	3.7
179.03236	0.4
184.05345	0.3
184.39653	0.3
185.06017	1.1
187.03961	2.1
189.01863	0.7
193.01405	1.9
227.07082	2.6
229.05029	0.5
240.58702	0.3
269.04517	3.0
270.04822	2.1
271.06110	100.0
272.06424	6.6
285.07611	0.6
295.06146	3.4
296.06653	0.3
297.63589	0.4
313.07224	2.4
320.60880	0.4
459.11557	0.4
460.18576	0.4
566.18292	0.4
579.17206	5.5
580.16809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27626	0.5
55.01757	0.9
55.36673	0.6
57.03328	2.5
59.01249	34.4
61.98701	8.2
63.02262	3.1
64.99850	0.8
65.00192	15.4
67.01766	0.7
69.03320	1.2
69.14893	0.6
71.01249	12.3
72.99168	1.4
73.02808	5.0
75.00758	0.6
81.03320	0.7
83.00807	1.0
83.01257	12.1
83.04889	0.8
83.92107	0.6
83.99000	1.6
85.02816	6.3
87.00754	2.0
87.04392	1.3
89.02319	4.6
93.03336	6.6
95.01239	1.6
96.95895	0.9
97.02845	0.9
99.00748	1.6
101.02332	8.5
103.03873	1.2
107.01270	26.1
107.04899	0.9
108.02063	1.9
109.02870	0.7
111.00752	1.3
113.02323	6.4
117.03351	1.9
119.03456	1.6
119.04912	45.6
120.05260	1.5
121.02861	1.4
123.04401	0.8
123.08078	0.5
124.01579	0.6
125.02325	6.2
129.01823	0.6
132.02071	3.3
133.02820	0.9
134.03638	4.8
135.04439	0.6
136.01587	1.2
137.02362	1.2
137.09648	0.6
138.06667	0.6
141.01201	2.1
143.03368	0.8
143.04938	1.3
145.02858	5.7
147.04388	0.9
149.02321	1.6
149.06000	1.0
151.00269	100.0
152.00572	3.3
153.01793	0.7
153.09207	1.2
160.01563	14.7
160.03844	0.8
161.02245	0.7
161.04472	2.0
161.06004	1.8
163.03941	0.6
163.11157	0.6
164.01082	1.9
165.01875	3.7
166.02708	0.6
169.01297	2.7
173.57788	0.5
174.78542	0.5
175.00311	2.4
175.03923	15.7
176.04271	1.1
177.01903	7.0
178.02385	0.7
181.04970	1.3
182.05199	0.5
185.05984	2.7
187.03873	3.5
190.02608	0.6
193.01370	2.1
193.04980	6.4
196.00056	1.3
199.13322	0.6
205.05045	0.7
224.67940	0.5
227.07051	2.8
235.02423	2.6
241.14413	1.2
268.03741	0.8
269.04510	4.5
269.12079	0.7
270.04922	2.7
271.06122	63.8
272.06442	4.4
285.04123	0.5
287.25150	0.6
296.97128	0.6
313.06924	3.4
337.09280	2.0
339.07196	1.2
357.26450	1.9
375.27527	0.8
417.11258	5.6
431.26633	0.8
449.27322	0.8
459.11487	22.6
460.11768	2.6
475.29080	0.9
501.30499	1.1
519.31775	27.9
520.31940	2.1
536.21008	0.7
537.32971	4.4
579.17139	76.3
579.24902	13.9
579.33350	2.5
580.17456	10.3
580.25201	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	579.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.7
59.01255	1.2
63.02274	2.1
65.00192	14.1
67.80813	0.5
83.01256	8.1
90.97887	0.5
91.67656	0.5
93.03329	6.3
97.02837	0.7
98.19773	1.5
106.20058	0.6
107.00541	1.3
107.01269	24.0
108.02090	1.1
117.03351	0.8
119.04916	40.1
120.05271	1.7
121.02788	0.6
125.02328	3.8
135.00645	0.7
136.01582	0.8
137.02419	0.6
143.04948	1.4
144.42523	0.6
145.02885	4.6
151.00272	100.0
152.00610	3.1
161.06007	1.6
164.01022	2.0
165.01846	5.1
169.01329	1.9
175.00287	2.0
177.01852	7.0
185.05980	2.3
187.03922	2.4
193.01358	2.2
196.00223	0.5
205.01541	0.8
227.07040	3.1
229.05031	1.2
229.53398	0.6
235.02428	1.1
269.04443	0.9
271.06113	56.0
272.06409	4.7
277.07419	0.6
313.07269	2.8
373.09180	1.2
459.11520	12.8
460.11990	1.5
579.17157	47.1
580.17639	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	578.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21440	0.4
59.01259	1.0
61.98702	100.0
71.01253	3.2
73.02831	1.2
78.98459	3.2
79.95603	4.8
80.96390	32.0
85.02853	0.9
85.49658	0.4
87.00767	1.2
94.97965	6.6
96.95896	0.8
97.02843	1.2
101.02357	1.0
103.03923	0.6
104.15243	0.4
106.97968	1.5
107.81918	0.4
115.70556	0.4
122.97495	2.4
125.02351	1.0
127.03918	0.6
134.97495	1.8
136.99132	0.5
147.04453	1.8
148.99026	3.0
152.98521	3.1
161.37129	0.4
164.98546	5.1
182.99667	1.0
193.71613	0.4
206.99637	1.2
212.09581	0.4
225.00684	7.6
225.02721	0.7
243.01689	0.6
269.04449	0.4
270.04947	0.6
279.23285	1.4
280.23578	0.9
281.23956	1.0
299.04373	1.4
394.64117	0.5
578.35559	2.8
579.28400	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71402	0.2
59.01254	0.6
61.98698	100.0
63.96093	0.2
68.81725	0.2
69.32536	1.9
71.01254	0.9
73.02786	0.2
75.00747	0.4
78.95766	0.4
78.98466	0.6
79.95590	1.2
80.96390	7.6
85.02809	0.3
87.00744	0.3
94.97961	1.8
96.95874	2.4
98.19991	0.8
101.02310	0.3
106.97955	0.3
122.97485	0.3
125.02326	0.2
134.97495	0.5
147.04422	0.9
147.84273	0.2
148.99036	0.6
151.00288	0.4
152.98531	0.6
164.98531	1.2
225.00754	1.5
255.09741	0.3
269.04556	0.7
270.04901	0.7
271.06189	0.4
279.23267	0.8
280.23575	1.2
281.24002	0.7
282.24045	0.3
299.04495	0.3
329.89236	0.2
574.78088	0.3
578.16046	0.7
578.35736	1.7
579.19080	0.5
579.28400	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	577.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01558	0.9
61.98703	4.8
70.66153	1.7
71.01291	0.7
109.26012	0.5
112.83346	0.6
116.22393	0.6
137.84961	0.5
152.18892	0.6
174.03174	0.6
175.03851	0.9
228.07504	0.9
245.08220	2.3
246.08586	2.2
247.08873	1.3
268.03705	4.3
269.01633	1.4
269.04532	29.1
270.04803	2.9
452.57242	0.8
577.15491	10.8
578.16003	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	577.374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.7
59.01246	100.0
60.01590	1.3
61.98699	40.7
69.78489	0.6
71.01269	2.1
73.02818	1.2
73.03748	0.6
77.63966	0.6
78.95772	16.3
78.96214	1.0
78.98481	1.4
79.95609	1.6
80.96384	16.1
80.96856	1.1
87.00745	1.1
94.97960	3.9
96.12481	0.7
96.95907	0.7
96.96856	0.8
101.02296	0.8
115.91973	1.5
116.92754	0.9
117.03329	0.9
122.97494	0.7
125.02413	1.2
134.97495	1.1
147.04433	2.6
148.99034	1.5
152.98470	1.0
152.99582	1.7
164.98579	2.3
171.00577	1.6
197.89407	0.7
224.06902	1.5
225.00636	3.9
242.04372	0.9
268.03769	3.8
269.04544	22.5
270.04532	3.1
271.04584	1.6
272.20248	0.6
279.23264	21.0
285.06653	1.7
286.06653	1.6
290.02106	0.6
361.16187	0.8
371.25903	7.8
423.32846	1.7
427.28488	3.7
428.28751	0.9
476.27805	5.0
485.32657	20.0
486.32922	3.7
504.30859	12.6
504.37784	0.8
577.14917	5.4
577.27240	17.9
577.35608	4.6
578.17078	1.3
578.27698	4.4
578.35901	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	16.3
61.98693	1.7
70.38991	3.6
71.01244	3.1
72.17262	0.8
85.02863	0.8
89.02306	2.7
101.02319	2.8
113.02328	1.9
119.03364	0.9
141.59196	0.8
161.04411	1.3
192.56131	0.8
195.97820	0.8
235.08336	1.2
253.09251	13.5
254.09537	0.9
268.03720	2.8
269.04501	13.1
281.24850	100.0
282.25278	10.8
327.66028	0.8
378.00461	0.8
577.15845	6.0
577.37732	0.9
578.15674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3022
Annotation	Oscillatoxin A
Peak:m/z	Relative Intensity
53.66153	0.4
57.03339	2.4
57.53777	0.5
59.01249	42.3
61.98711	4.3
63.02269	0.9
65.00202	0.9
69.03319	0.7
71.01260	4.3
71.53239	0.9
72.99169	4.9
73.02802	1.9
83.01243	0.7
83.04894	1.9
84.02055	1.0
85.02812	2.9
87.00758	1.6
87.04377	1.5
89.02319	1.9
93.03313	1.0
95.04964	0.7
97.02810	0.6
99.04397	0.7
101.02338	2.6
101.05944	3.0
101.91553	0.5
103.03905	1.0
107.01265	1.4
107.04941	0.5
108.02061	0.8
109.06441	0.6
111.00761	0.9
113.02356	1.9
113.05967	0.8
117.03307	2.6
119.04913	1.8
121.02845	2.2
121.45186	0.5
125.09595	1.4
133.06416	0.6
135.04381	0.7
137.02321	0.7
149.02266	1.2
151.00255	1.4
151.07567	0.5
151.11171	2.8
152.01021	0.5
152.04637	0.5
161.02345	0.8
161.04437	1.1
163.03856	0.6
164.04596	0.8
171.10193	2.9
187.09671	1.1
190.02594	1.8
205.04982	1.8
211.03983	0.7
223.06151	0.7
225.05402	0.7
239.03384	0.6
240.04349	0.9
253.09238	1.7
265.09314	1.0
268.03702	10.6
269.04535	54.9
270.04846	4.2
308.02606	0.5
341.23209	3.6
347.22253	0.8
386.05801	0.6
405.26248	2.0
429.26257	3.5
430.26755	0.6
440.67432	0.5
447.27875	0.7
473.29031	4.8
474.29092	0.7
475.26944	1.2
477.28503	0.7
517.28015	8.1
518.28070	0.8
519.29315	0.5
533.21930	0.9
535.29010	1.3
552.39557	0.5
577.16199	22.0
577.30109	100.0
578.16577	3.5
578.30536	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	577.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.8
63.96105	1.0
69.03333	0.8
69.90155	2.5
71.01249	6.9
73.02839	2.2
78.98460	6.0
79.61802	0.5
79.95599	9.4
80.96385	68.9
81.03329	0.9
85.02820	3.1
87.00736	2.4
92.14531	0.4
92.15288	0.5
94.97958	15.3
96.95912	1.2
97.02821	1.6
101.02312	2.6
106.97975	2.9
122.97464	5.7
125.02334	2.7
127.03908	0.8
134.97459	4.7
136.99033	2.1
146.97472	0.6
148.99048	5.4
152.98517	6.6
164.94772	0.6
164.98532	12.0
167.00049	0.5
175.41898	0.6
182.99640	2.7
188.98532	0.5
206.99677	2.7
225.00700	16.1
226.01013	0.6
243.01715	1.6
269.04599	0.9
277.21710	2.6
281.49664	0.5
299.04449	2.3
577.26819	100.0
578.27191	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	577.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.0
55.37632	0.3
57.03319	1.3
58.00467	2.0
59.01249	100.0
60.01592	1.1
61.98710	0.6
69.03317	0.6
69.61053	1.2
69.61482	1.0
71.01250	52.4
72.01576	0.8
72.99174	3.7
73.02817	10.3
74.98962	0.9
75.00745	1.1
83.01250	4.3
83.04884	0.3
85.02821	10.6
87.00754	3.8
88.98693	0.3
89.02312	48.2
90.02673	0.6
93.03329	0.6
95.01261	3.8
96.95884	0.5
97.02843	0.8
98.52961	0.4
99.00748	1.9
99.04363	0.5
101.02322	28.7
101.40688	0.3
102.02657	0.5
102.98457	0.5
103.03841	0.5
107.04908	0.3
108.02051	0.5
109.02809	0.7
111.00713	0.9
111.04421	0.4
113.02328	30.3
114.02646	0.7
117.03323	0.5
119.03387	18.2
122.02276	0.3
123.04379	0.6
125.02338	2.8
131.03398	3.0
135.00777	0.4
136.99022	1.2
137.02313	1.2
139.98279	0.4
143.02380	0.4
143.03403	5.7
149.02298	0.8
149.04439	3.0
153.01823	0.4
155.03349	0.8
161.03233	0.6
161.04463	8.6
163.03874	0.6
163.11916	0.3
164.04585	0.4
165.01848	0.3
165.05405	0.4
167.03340	1.2
169.04889	0.3
173.04451	0.4
175.00201	0.9
178.59592	0.4
179.05530	8.6
180.05746	0.4
190.02574	0.6
191.03429	0.5
193.04942	0.6
204.20241	0.3
205.04979	0.8
219.06454	0.4
221.06584	0.4
223.06036	0.5
265.06937	0.5
268.03613	1.2
269.04556	7.3
285.03909	0.7
293.04453	3.5
294.04382	0.4
295.08157	1.8
337.08920	0.5
355.21152	1.1
367.78583	0.4
371.09854	0.7
373.12668	0.4
413.08560	1.5
417.85129	0.4
457.12949	3.5
457.19806	0.7
475.21310	0.9
499.21872	0.4
517.26483	23.4
518.26917	3.8
533.19781	0.5
535.27570	18.1
536.27856	2.3
577.15533	7.5
577.29120	3.0
578.15308	1.2
578.27728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05410	0.3
51.28897	0.4
59.01240	0.8
63.96103	1.3
69.03322	0.5
69.39905	1.3
69.40334	1.7
71.01247	8.8
71.85204	0.4
73.02817	2.1
78.98460	7.1
79.95601	12.1
80.96387	78.5
81.03355	0.8
81.46604	0.4
85.02808	2.8
85.93987	0.3
87.00750	2.8
87.04359	0.3
94.97957	19.0
96.95879	1.3
97.02847	1.8
99.00758	0.7
101.02312	2.5
106.97968	3.6
113.02335	0.6
116.21979	0.4
122.97460	7.0
125.02342	3.1
127.03883	1.2
134.97475	5.0
136.99026	1.2
146.97472	0.5
148.99030	6.3
152.98531	7.7
164.98540	12.5
167.00029	0.4
182.99597	3.0
188.98578	0.4
206.99646	2.5
225.00684	17.5
226.00943	0.9
243.01817	1.8
257.82031	0.4
277.21686	2.4
299.04358	2.2
577.26843	100.0
578.27161	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	577.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.2
61.98698	10.9
63.96096	1.4
69.03333	0.7
71.01244	7.3
73.02811	1.8
78.95783	0.9
78.98462	5.9
79.95596	10.6
80.96383	69.0
81.03345	0.8
83.01228	0.5
85.02807	2.6
87.00750	2.4
89.37784	0.4
91.23855	0.4
94.97955	15.8
96.95912	1.0
97.02818	1.3
98.20530	0.8
99.00786	0.8
101.02337	1.7
103.02518	0.4
106.97961	2.9
118.38606	0.5
118.39442	0.5
121.02834	0.4
122.97466	3.1
125.02321	3.1
127.03875	0.9
127.43550	0.4
134.97482	5.2
136.99049	1.2
140.49896	0.4
146.97414	0.5
147.04387	1.0
148.99033	6.3
152.98529	5.4
164.98541	11.6
167.00090	0.6
182.10156	0.4
182.99644	0.8
206.99649	2.5
225.00674	14.5
243.01778	0.5
268.03629	0.9
269.04532	4.9
277.21704	1.7
299.04388	2.5
379.28632	1.6
380.28735	2.3
476.27383	0.5
577.26825	100.0
578.27063	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	577.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.3
57.09295	0.5
59.01248	100.0
60.01578	0.8
60.18523	0.5
61.98710	4.6
65.00210	0.8
69.57278	0.5
70.93255	1.3
71.01259	4.6
72.99181	0.5
73.02806	1.6
73.52253	0.6
78.21057	0.5
83.01254	1.4
83.04897	1.0
85.02815	3.8
87.00746	75.0
87.04379	0.8
88.01088	1.3
88.98681	2.5
89.02315	1.7
93.03350	1.3
99.00757	0.8
101.02322	2.8
102.43157	0.6
103.03838	0.9
107.01278	1.1
107.04850	0.6
113.02333	1.8
117.03336	1.5
119.04920	0.9
120.99496	1.2
121.02807	1.7
125.02347	0.7
125.09566	1.1
133.06477	0.5
135.04417	0.6
135.95505	0.5
147.04364	0.8
151.00253	1.1
159.04381	0.7
160.03862	1.0
161.02269	0.6
171.10100	1.6
173.05933	1.0
185.68369	0.5
190.02522	0.6
191.05447	0.6
199.13335	0.6
209.11652	1.3
227.03415	0.7
228.78772	0.5
239.03448	0.7
240.04054	1.0
268.01154	0.6
268.03729	9.7
269.04526	53.0
270.04935	4.8
282.12411	0.7
309.18561	5.1
329.23013	0.9
349.55789	0.7
357.13300	0.7
369.20364	2.0
395.21866	1.3
410.33417	0.6
413.08487	0.6
413.18259	0.9
413.23297	15.7
414.23190	2.4
431.41711	0.7
457.22354	9.6
458.22192	1.3
463.25021	0.9
473.25381	20.1
474.25195	2.4
477.28516	0.9
478.20453	1.4
489.17630	5.2
517.24115	29.8
518.24561	3.1
519.28888	0.8
533.27100	0.7
577.15619	15.8
577.24652	2.3
577.31244	3.2
578.15332	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	577.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64959	1.9
59.01245	13.8
61.98703	31.4
71.01248	2.3
78.95753	2.5
85.16696	1.5
94.06469	1.5
97.65225	1.7
98.20532	3.0
115.46032	1.7
117.03290	3.8
131.06012	1.8
147.65021	1.6
149.07033	1.9
152.59105	1.8
157.70044	1.7
262.51205	1.6
268.03680	17.4
269.04541	100.0
270.04694	6.6
292.14584	2.5
533.10602	2.6
560.07251	1.9
577.15375	25.4
577.23254	3.5
578.15344	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	577.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.1
57.03325	3.4
58.00470	1.2
59.01246	56.6
61.98692	1.5
63.02270	0.9
65.00192	1.2
67.21153	0.6
69.03322	1.3
71.01250	21.9
71.52824	0.9
72.99178	2.6
73.02812	7.3
75.00741	1.8
75.31624	0.6
81.03285	0.8
83.01241	4.8
83.04898	1.2
85.02820	12.2
87.00745	2.4
87.04387	0.8
89.02310	15.2
93.03329	2.1
95.01260	2.9
96.95859	1.2
97.02818	1.1
99.00746	2.9
99.04414	0.8
101.02314	13.9
103.03873	0.8
107.01262	1.8
107.04900	2.4
108.02049	1.6
109.02848	1.1
111.00765	1.4
111.07969	0.6
113.02317	11.9
117.03327	3.0
119.03380	6.0
119.04906	2.7
120.99522	2.3
121.02828	2.2
123.04401	0.8
125.02332	1.8
129.01822	1.0
131.03426	1.2
134.03578	1.2
135.04399	1.0
135.08041	1.2
136.01596	0.8
137.02336	1.5
137.68391	0.6
143.03391	1.6
149.02284	3.0
150.03026	1.2
151.00276	2.0
151.03879	1.4
152.01051	1.8
153.01837	1.1
159.02966	0.7
159.04396	1.4
159.31670	0.6
160.03906	1.3
161.02342	1.5
161.04485	3.7
161.09613	2.4
161.13324	0.8
163.03954	1.5
164.04646	2.0
165.05307	0.7
165.07579	3.0
169.12067	0.6
173.04387	0.6
175.00226	1.3
175.66077	0.7
177.05620	0.7
179.03392	1.6
179.05481	2.2
179.10733	1.0
182.61987	0.8
183.04410	0.8
187.11174	2.2
189.09100	2.2
190.02696	3.1
191.03450	0.6
191.05447	1.3
193.04904	0.8
194.05765	1.5
200.04781	0.7
205.05022	3.5
205.12206	1.1
206.05690	0.9
207.10239	0.9
208.03716	0.9
209.08203	1.0
211.13338	1.6
223.06033	1.7
225.05498	1.1
227.03630	0.8
239.85265	0.7
249.11195	1.2
253.09778	1.0
265.07071	1.7
266.07474	1.8
267.11856	0.9
268.03738	20.4
269.04517	100.0
270.04861	8.0
285.03775	1.1
285.12427	0.9
315.07092	0.7
325.09299	1.0
326.09567	1.0
327.13007	3.6
355.24951	2.4
362.19504	0.8
367.10126	4.2
371.12137	2.0
373.26050	1.3
383.20636	5.0
401.21619	4.8
415.23547	1.0
425.21698	2.0
443.22919	8.7
457.28015	1.8
481.28088	1.5
499.29053	2.5
517.30267	21.9
518.30408	2.5
533.27551	2.1
535.31274	7.1
577.15833	41.0
577.24902	16.7
578.16272	5.4
578.25159	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01178	2.0
55.62425	2.2
56.83056	2.1
59.01257	19.5
61.98696	8.0
71.52476	2.7
71.71450	1.9
79.19598	2.3
87.72768	1.9
89.82791	2.0
96.95756	2.3
107.01273	2.6
108.81556	2.2
117.03320	3.1
117.55228	2.2
121.02831	2.0
136.44188	2.2
142.91481	1.9
166.53671	1.8
175.03915	3.6
196.70679	1.9
203.10696	2.6
227.07028	4.8
228.07344	5.3
229.08752	11.7
245.08194	9.7
246.08444	3.6
268.03690	18.9
269.04529	100.0
270.04858	8.1
577.15692	33.5
577.23999	3.6
578.15894	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	577.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01582	0.7
61.98701	1.7
71.01260	0.3
71.52596	0.3
73.02807	0.3
83.01273	0.3
83.04890	0.5
93.03349	0.3
99.00542	1.2
107.01269	0.3
107.98018	0.3
117.03361	0.3
121.02814	0.2
121.06516	0.3
127.88977	0.3
133.06503	0.3
141.01588	8.8
141.02623	0.6
145.02832	1.5
146.03629	1.0
147.04411	1.0
148.05089	0.2
149.02361	0.3
149.05975	0.4
155.10242	0.3
161.02342	0.3
173.02386	0.5
174.03136	2.9
175.03915	16.4
176.04245	2.9
177.01842	0.4
177.04436	0.4
183.08096	0.4
187.04005	0.7
187.11264	0.3
197.11763	0.2
201.05710	0.3
203.03477	0.9
206.02156	3.2
216.72752	0.3
227.07112	1.7
228.07416	0.6
229.08662	7.9
230.08948	0.3
245.08154	5.7
245.10396	0.4
246.08517	0.5
247.08627	0.4
263.09155	1.7
264.09561	0.3
265.09781	0.3
267.17621	0.5
268.03763	3.0
269.04529	14.9
270.04984	1.1
275.36035	0.3
365.21344	0.4
391.19354	0.9
398.30322	0.3
433.20209	0.5
435.18137	1.3
452.11371	0.4
495.20193	9.0
496.20969	1.1
577.22632	7.2
578.21759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61053	0.6
57.03265	1.6
59.01174	17.4
59.01498	2.2
63.02181	2.0
69.03261	1.1
69.51512	4.4
71.01172	10.9
72.24043	0.8
73.02816	3.4
73.03125	0.8
79.28783	0.7
81.03253	1.3
83.01192	2.4
83.04816	0.8
85.02826	6.8
87.00707	1.2
89.02322	5.8
93.03256	2.6
95.01225	1.7
97.02760	1.5
98.20591	0.7
99.00736	1.5
101.02322	7.0
107.01188	1.2
107.04818	1.0
108.02052	53.8
108.02742	1.8
109.02842	30.5
109.03545	0.9
109.06432	1.2
111.00718	0.6
111.04333	0.9
113.02328	5.1
117.03271	2.0
119.03335	1.8
121.02761	1.9
121.06416	1.3
122.03523	2.9
123.00694	1.9
123.04368	1.5
123.76311	0.6
124.01566	3.2
125.02309	1.2
135.04352	0.9
136.05122	1.1
137.05905	2.2
139.07498	1.3
147.07976	0.7
149.02231	0.9
151.00160	1.4
151.03831	2.1
152.01057	72.5
153.01848	21.3
154.02138	0.9
159.04375	1.1
161.02226	0.8
161.04395	1.7
161.09540	0.8
163.03915	1.3
165.01773	2.0
165.07520	0.9
171.04373	0.9
171.07819	0.7
173.05959	1.2
182.21030	0.6
184.05138	0.7
187.11185	4.5
189.05394	1.5
189.09073	1.4
197.06230	0.6
201.05368	0.7
205.12215	2.9
213.09108	1.1
216.07797	1.0
225.05646	1.2
230.08093	0.9
231.10222	3.8
239.03333	1.2
240.04176	1.1
265.09305	0.9
268.01492	0.4
268.03754	19.7
269.04535	100.0
270.04855	8.3
274.07236	3.0
297.06348	0.9
315.07184	14.7
327.12961	0.9
517.30243	8.2
535.31696	2.1
577.19409	99.9
578.19849	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	577.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01685	0.9
57.03239	1.2
57.03484	0.6
58.00396	0.7
59.01150	17.6
59.01481	3.7
61.98621	1.1
63.02171	0.8
65.00124	1.1
66.54406	0.5
69.03213	1.0
69.37528	4.7
69.37939	1.0
70.17908	0.5
71.01149	12.3
71.01588	1.7
72.99100	1.2
73.02711	3.0
75.00609	0.8
83.01147	2.1
83.04826	0.6
85.02715	5.9
87.00665	0.7
89.02203	8.8
93.03217	1.9
95.01187	1.3
95.04816	1.1
97.02763	1.3
98.20520	0.9
99.00673	1.1
101.02205	5.2
107.01144	1.6
107.04790	1.0
108.02047	27.5
108.02716	1.5
109.02712	16.4
109.03503	1.1
111.00697	0.6
111.04307	1.1
113.02325	4.6
117.03196	2.9
117.04035	0.9
119.03308	1.4
119.04784	1.1
121.02720	1.9
121.06383	0.8
122.03529	1.3
123.00681	0.7
123.04309	1.3
123.08018	0.5
124.01434	1.7
125.02218	1.0
131.03343	0.8
134.03526	0.6
135.00574	0.7
135.04283	1.0
136.01479	0.6
136.05096	1.1
137.05910	1.1
139.07446	1.7
143.03363	0.7
149.02220	1.2
149.04343	0.6
151.00133	1.6
151.03749	1.7
152.01053	43.3
153.01845	14.5
159.02962	0.5
159.04285	1.1
161.02257	0.7
161.04333	2.3
161.05661	0.7
163.03806	1.5
165.01730	1.7
165.07458	0.8
171.04298	0.6
179.05457	0.7
181.04832	0.7
183.04422	0.8
187.11214	2.8
189.05385	0.8
189.09117	0.6
205.12236	3.2
213.09064	0.8
215.05678	1.0
216.07790	0.9
220.24902	0.6
225.05482	1.2
227.03163	0.6
230.08055	0.7
231.10176	1.6
239.03369	0.7
240.04124	1.6
249.11337	0.7
265.09125	1.0
268.03754	21.0
268.06705	1.0
269.04523	100.0
270.04892	7.0
274.07172	2.2
281.04175	0.7
282.05408	0.6
283.06107	0.7
285.04092	0.7
293.04517	0.8
307.06244	2.0
315.07205	9.8
316.07822	1.1
327.12976	1.1
333.08435	0.8
355.25137	0.8
361.70801	0.7
413.09003	0.7
427.10428	0.9
447.09760	0.8
458.93246	0.6
517.30243	7.5
535.31641	2.3
577.19299	59.9
578.19629	8.8
581.06775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	2.3
57.03302	4.7
58.00450	3.1
59.01250	92.1
61.98692	3.5
65.93766	2.2
71.01254	65.6
72.99151	4.1
73.02814	25.0
75.00752	2.5
83.01247	6.9
84.21351	2.0
85.02814	24.3
87.00737	9.1
89.02312	41.3
93.03334	32.3
94.06463	5.5
94.45159	2.1
95.01265	5.3
97.02808	2.4
99.00758	4.5
101.02322	37.1
108.02065	5.9
108.37961	1.8
109.02833	2.6
113.02321	34.6
117.03320	5.6
119.03390	19.4
119.04902	17.6
120.99509	3.2
121.02824	7.3
123.04387	3.3
124.07603	4.0
125.02305	4.2
131.03386	3.7
133.02846	9.9
135.04413	20.0
136.01524	5.6
137.02342	99.0
138.02699	2.3
143.03401	5.6
145.02782	3.6
145.06476	15.0
147.04370	3.1
148.03929	19.0
149.04446	2.9
149.05957	6.7
149.09659	2.5
151.00266	4.1
152.01027	5.7
153.01785	3.1
160.03929	9.4
161.04512	13.7
161.06004	7.8
163.03891	4.4
168.06508	4.4
175.03903	3.1
177.05492	4.9
179.03401	8.3
179.05502	6.5
181.19733	2.3
185.05911	2.2
191.01759	2.1
193.03650	5.0
195.13826	4.3
205.04997	37.3
206.05315	3.1
207.02902	9.1
209.04501	2.7
229.04996	2.2
239.05515	5.8
241.14362	15.0
247.51727	2.0
253.09796	20.0
255.02927	3.0
255.11279	7.0
259.06012	9.9
265.14200	3.8
267.11343	5.7
268.03665	8.8
269.04504	52.1
270.04831	4.9
277.05005	5.0
281.06638	100.0
282.06958	6.3
283.05652	2.4
283.10831	13.1
285.12378	16.4
293.04559	5.8
307.09497	2.2
311.10342	8.5
315.07010	2.7
328.05798	3.9
329.06821	4.2
329.11392	23.8
330.11871	3.1
335.09497	2.8
341.08759	33.1
343.12155	2.4
353.08765	59.8
354.09094	5.7
371.09598	51.0
372.09848	4.7
413.08649	4.6
415.23474	2.5
473.14532	2.7
491.16931	2.7
517.26318	7.2
533.17950	77.0
534.18622	11.7
535.27509	7.9
577.15356	50.3
577.24963	2.9
577.28339	3.7
578.16016	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	577.156
Annotation	Rhoifolin
Peak:m/z	Relative Intensity
50.57949	0.3
55.01744	0.3
57.03312	0.5
58.00465	0.4
59.01246	14.2
63.02254	1.6
65.00191	0.6
69.40761	2.5
71.01247	7.5
72.99183	0.4
73.02808	2.1
83.01252	1.2
85.02818	2.7
87.00778	0.6
89.02309	5.8
93.03345	0.6
95.01278	0.7
99.00728	0.3
101.02319	4.2
107.01256	1.7
113.02320	4.1
117.03325	3.1
119.03406	2.1
121.02866	0.4
125.02328	0.6
125.55605	0.5
131.03320	0.4
137.02327	0.4
143.03392	0.9
149.02251	0.8
151.00273	2.0
159.04373	1.0
161.02359	1.1
161.04448	1.6
161.05711	0.3
167.03328	0.4
169.06474	0.4
179.05513	1.5
183.04468	0.7
196.05214	0.5
197.05922	0.4
201.05481	0.9
209.04169	0.3
211.03883	1.1
224.04729	0.4
225.05513	1.3
227.03503	0.7
237.09761	1.0
239.03448	1.3
240.04285	1.6
241.04971	0.4
241.14392	0.7
265.09128	0.4
265.14664	0.4
267.03043	0.4
268.03738	25.3
269.04517	100.0
270.04868	7.2
311.05426	0.6
337.07211	0.9
367.08411	0.4
413.08704	1.0
457.11536	1.0
517.26227	2.6
535.27753	1.9
577.15546	58.3
578.15942	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	577.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94156	0.1
59.01243	0.5
63.02249	0.9
64.99876	0.1
65.00162	0.6
71.01265	0.3
73.02824	0.1
83.01264	0.2
84.00123	0.1
89.02319	0.3
93.03352	0.2
98.20599	0.1
101.02301	0.2
105.03349	0.1
107.01266	1.1
108.01584	0.1
111.40134	0.1
113.02325	0.1
117.03326	2.0
118.39893	0.1
120.50558	0.1
120.88689	0.1
127.68504	0.1
135.04393	0.1
137.02289	0.1
143.03444	0.1
147.00786	0.1
148.01642	0.1
149.02336	0.7
149.04347	0.1
151.00243	0.6
155.05013	0.1
157.06424	0.1
159.04417	0.9
160.98589	0.1
161.02374	0.6
161.04370	0.1
169.06483	0.3
171.04416	0.1
180.05661	0.1
181.06557	0.3
183.04472	0.5
195.13777	0.1
196.05217	0.2
197.06041	0.5
199.03922	0.2
201.05528	0.5
203.03468	0.2
224.04733	0.2
225.05504	0.7
227.03464	0.3
232.24538	0.1
239.03313	0.2
240.04300	0.2
241.04990	0.1
241.14436	0.3
253.05168	0.1
268.03757	2.6
269.04520	100.0
270.04858	8.1
291.06494	0.1
311.05481	0.3
319.87125	0.1
517.25726	0.1
577.15485	3.6
578.16119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.5
63.02262	1.8
65.00158	0.8
71.01225	0.3
80.69930	0.1
83.01244	0.5
83.07104	0.1
93.03323	0.2
98.20731	0.1
107.01264	1.9
117.03342	2.9
121.02879	0.3
135.04402	0.3
148.01527	0.3
149.02347	1.0
149.99487	0.2
151.00258	1.5
155.04861	0.2
157.06528	0.2
158.03575	0.2
159.04420	1.2
160.03958	0.8
161.02341	0.7
169.06494	0.3
171.04414	0.7
171.32448	0.2
172.05217	0.2
180.05640	0.2
180.90207	0.1
181.06505	0.4
183.04445	0.7
195.04434	0.2
196.05162	0.5
197.05934	0.6
199.04042	0.3
200.04712	0.3
201.05573	0.8
211.03946	0.8
212.04727	0.3
224.04764	0.2
225.05524	1.1
227.03482	0.5
230.20898	0.2
239.03456	1.4
240.04196	1.5
241.04788	0.3
267.02972	0.8
268.03748	24.0
269.04517	100.0
270.04871	7.8
293.04550	0.2
311.05432	0.3
410.40695	0.1
413.08792	0.6
431.09900	0.2
457.11148	0.4
577.15552	58.0
578.15814	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	577.156
Annotation	Rhoifolin
Peak:m/z	Relative Intensity
53.23637	0.1
59.01254	0.8
61.98696	0.2
63.01946	0.1
63.02261	1.5
64.02602	0.1
65.00176	0.8
71.01251	0.4
83.01254	0.5
85.02817	0.2
89.02312	0.3
93.03329	0.3
97.02769	0.1
98.20570	0.2
101.02316	0.2
101.59985	0.1
103.03838	0.1
105.03331	0.2
107.01260	2.1
108.01558	0.1
112.93639	0.1
113.02332	0.1
117.03332	2.8
118.03680	0.1
121.02795	0.2
132.02008	0.1
135.04396	0.2
147.00775	0.1
148.01608	0.3
148.82402	0.1
149.02321	0.9
149.99472	0.2
151.00272	1.6
155.04903	0.1
158.03648	0.1
159.04416	1.3
161.02328	0.7
169.01311	0.2
169.06454	0.3
171.04402	0.5
172.05200	0.3
173.06119	0.1
175.00087	0.1
180.05730	0.2
181.06470	0.4
182.03711	0.1
183.04395	0.8
184.05164	0.2
195.04379	0.2
196.05234	0.5
197.05943	0.6
199.03914	0.3
200.04591	0.3
201.05536	0.5
203.03496	0.1
203.60838	0.1
211.03961	0.7
212.04596	0.3
221.49142	0.1
223.04012	0.1
224.04684	0.3
225.05501	1.1
227.03410	0.4
239.03432	1.3
240.04213	1.4
241.04773	0.2
251.24722	0.1
267.03006	0.5
268.03741	23.9
269.04514	100.0
270.04858	6.8
281.04355	0.1
287.75204	0.1
293.04477	0.2
311.05548	0.4
313.11172	0.1
338.01144	0.1
413.08719	0.8
431.09769	0.3
447.22214	0.2
457.11411	0.2
577.15533	42.6
578.15900	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	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	1.2
61.98700	100.0
68.96847	0.2
69.27149	2.3
70.28055	0.2
78.95786	0.6
80.96389	0.5
102.47862	0.2
136.73080	0.3
138.82907	0.2
144.47498	0.2
167.53906	0.2
170.48975	0.3
269.04593	0.6
270.04178	0.4
277.21674	0.4
278.22119	1.0
279.22412	0.7
285.06552	0.3
347.92310	0.2
402.32858	0.3
577.26825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.7
61.98696	100.0
68.15170	0.3
70.12941	0.4
70.13319	0.4
77.32264	0.2
78.98448	0.3
79.95586	0.5
80.96383	4.8
80.96857	0.4
94.97950	0.7
98.20133	0.5
125.02309	0.4
130.81140	0.2
134.97496	0.4
148.99052	0.3
161.53050	0.2
164.98531	0.7
165.26050	0.2
193.35164	0.3
225.00745	0.7
277.21829	0.7
278.21887	1.7
279.22424	0.8
280.22733	0.4
297.83868	0.3
372.77084	0.3
577.26849	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	576.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	2.1
57.03318	12.7
59.00955	2.2
59.01248	43.1
60.01568	1.8
61.98705	11.1
67.07701	1.3
69.03310	1.9
71.01248	19.6
71.52296	1.3
71.52688	1.8
72.99177	3.4
73.02805	5.4
75.00739	1.5
78.95778	2.3
81.03347	1.6
83.01238	2.0
85.02818	29.3
87.00733	7.1
87.04386	2.5
88.98676	3.5
89.02298	6.4
93.03333	13.5
97.02794	1.8
99.00734	2.8
99.04384	4.4
101.02314	9.8
103.03883	100.0
104.04179	2.0
106.04124	4.1
107.01282	2.3
107.04890	5.8
111.00744	2.2
113.02315	4.5
117.03328	2.0
119.03422	2.3
119.04884	3.7
121.02815	5.0
121.06493	1.6
123.00793	1.3
125.02317	4.2
133.02881	2.2
133.06480	2.9
134.03636	1.6
135.07939	1.6
136.73749	1.2
138.03101	1.7
143.03368	1.7
143.04889	2.2
145.06479	4.0
147.08195	1.3
148.05188	2.3
149.02315	2.3
150.03003	1.4
151.00241	1.8
151.03838	1.6
152.99434	1.7
157.04971	2.3
157.06393	1.4
159.03041	1.6
159.04349	2.4
162.21104	1.4
163.46342	1.4
172.05096	1.4
180.04228	1.8
183.08040	5.3
189.05351	2.2
191.02095	2.3
197.09714	2.3
198.05492	6.1
201.05627	1.9
209.06062	1.5
209.11691	2.0
211.07640	1.4
211.11281	7.6
213.12802	13.9
216.06651	4.6
223.07593	4.6
224.08264	2.0
225.09274	1.5
227.07130	7.6
236.07100	3.9
237.09119	4.5
239.10698	33.5
240.11278	1.5
241.08446	2.0
247.08139	7.3
253.12279	2.1
254.08160	1.7
255.13831	4.5
257.11801	19.9
265.09268	25.9
266.11874	7.3
268.03763	9.7
269.04517	59.3
281.07990	2.1
283.09772	14.7
284.09961	2.1
284.12851	5.8
288.03445	1.6
299.12878	5.1
301.10812	25.6
302.10983	2.2
310.10855	16.7
315.12756	1.7
325.10651	4.2
328.11856	13.7
343.11713	7.4
352.11792	5.6
355.11801	1.5
357.13531	2.2
360.27551	1.5
370.13129	5.3
385.12912	4.5
403.13885	2.4
412.14035	2.0
445.14941	2.9
472.16116	6.8
473.16339	1.9
487.19699	3.0
531.18652	40.1
532.19067	5.7
549.19812	4.4
558.19745	21.1
575.34082	2.8
576.20813	72.6
576.29114	3.2
577.14349	21.9
577.22638	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	576.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72567	0.9
59.01248	61.6
60.01604	7.1
61.01673	6.5
61.98701	100.0
63.02265	1.1
68.51965	1.1
69.27632	1.9
69.28035	7.6
71.01241	3.3
73.02808	2.5
85.02808	2.5
89.02280	1.9
93.03352	1.1
97.55655	0.9
101.02293	3.1
101.05945	3.3
105.80781	1.2
107.01318	1.4
113.02318	1.4
117.03298	2.1
119.04893	1.3
121.02798	1.8
122.52169	0.9
131.06036	13.5
132.06400	2.0
137.41418	1.0
142.06505	1.1
143.31786	1.1
149.02251	1.2
149.07098	8.4
150.07483	1.1
151.00304	1.1
159.53058	1.0
208.11301	6.0
208.12979	1.2
209.11670	3.0
268.03754	12.6
269.04544	67.5
279.19675	1.5
292.14706	6.7
293.14771	2.7
341.24207	1.1
458.80243	1.2
501.25934	1.0
502.26923	1.9
517.31696	2.1
575.28894	1.5
576.30072	3.9
576.41382	1.7
577.15613	24.8
578.70038	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18907	0.8
59.01245	75.6
60.01585	7.6
60.82172	0.8
61.01670	8.9
61.73836	0.8
61.98698	100.0
65.34018	1.1
71.52471	1.1
77.52422	0.8
101.44126	0.8
168.70540	1.0
172.59918	0.9
201.34300	0.9
268.03824	1.8
269.04517	9.2
577.15594	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	576.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.1
60.01587	0.4
61.98702	100.0
69.34840	2.1
71.01246	0.3
76.40827	0.2
78.21574	0.2
87.04404	0.3
101.02321	0.3
101.05988	0.3
140.13806	0.2
186.67270	0.2
217.05019	0.3
218.60651	0.2
238.64249	0.2
241.28607	0.2
267.04376	0.2
268.03812	1.0
269.04520	4.8
269.07260	0.3
350.07965	0.7
351.08878	0.9
358.59048	0.2
373.06979	0.4
424.50986	0.2
495.13013	0.5
576.28174	0.3
577.15344	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	576.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96615	0.2
58.73041	0.2
59.01246	3.9
61.39456	0.2
61.98700	100.0
66.31371	0.2
69.91909	0.6
69.92301	0.5
84.25747	0.2
87.04400	0.5
98.19962	0.3
102.95387	0.2
268.03796	0.6
269.04520	3.4
532.25897	0.3
577.15613	1.4
596.56842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30286	0.8
57.03315	1.7
59.01249	48.7
60.01585	1.2
61.98697	1.1
67.01794	0.9
69.03321	14.1
69.28283	7.5
71.01250	8.1
72.99178	27.2
73.02817	3.1
81.03322	1.0
83.04881	0.8
85.02817	3.1
87.00742	4.5
89.02299	2.0
95.04929	0.7
97.02835	6.5
99.00768	0.9
99.04433	0.9
101.02314	3.4
111.08029	1.0
113.02309	2.4
119.04920	2.4
120.05764	0.8
121.02834	1.1
121.06457	1.3
123.04412	1.0
137.05942	0.8
143.03372	0.9
149.02350	1.0
151.00259	1.3
152.01010	0.9
161.04427	1.0
163.03931	1.2
189.12697	2.0
190.02687	1.2
223.14917	2.0
241.14290	1.5
268.03738	1.2
269.04544	2.3
277.15988	1.9
283.20584	2.3
285.03949	1.4
291.21027	1.0
293.19122	8.1
309.22226	38.0
310.22574	3.9
321.18515	1.5
324.09467	0.8
335.19839	1.4
337.21988	1.7
351.19666	0.8
411.21738	100.0
412.22064	11.1
455.20731	76.0
456.20920	10.5
471.23901	6.7
515.22784	64.1
516.23199	8.6
575.16351	1.1
575.30310	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	575.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70023	0.5
57.03324	6.8
58.00468	1.4
59.01249	34.0
61.98705	1.7
69.03306	0.8
69.32883	5.1
71.01252	17.7
71.04869	0.7
72.99187	1.6
73.02814	7.1
74.02368	0.7
75.03256	0.5
83.01242	3.9
83.04905	1.2
84.48301	0.6
85.02819	18.4
85.06458	0.7
87.00768	2.3
87.04447	0.5
89.02314	15.4
93.03321	2.0
95.01266	1.9
97.02882	0.7
97.06478	0.7
98.20780	0.5
99.00784	0.9
99.04396	0.9
101.02322	14.6
101.05952	0.6
103.00246	2.2
103.03883	32.8
104.04209	0.7
108.02042	4.4
109.02857	2.5
109.06436	0.6
111.00780	2.6
111.04436	1.0
113.02326	8.9
116.92578	0.5
117.05539	0.7
119.03400	7.0
119.04919	2.4
121.02828	2.9
121.06455	0.7
123.04449	0.8
123.08033	1.9
125.02333	2.2
126.03065	0.5
127.03912	3.9
134.07239	0.7
135.02940	0.7
135.04271	0.6
137.02335	1.3
137.09618	1.9
139.11169	1.4
143.03403	1.4
145.04919	1.4
149.02362	0.9
149.04448	0.7
149.09613	2.6
151.00275	1.1
151.11147	0.7
152.01044	3.4
153.01816	1.5
157.05023	0.8
161.04483	1.8
163.03883	0.9
165.09135	0.9
165.12755	2.0
167.03358	1.0
167.14337	1.2
177.12769	1.4
179.03331	0.8
179.05556	1.7
179.10728	1.1
190.99893	0.5
195.13834	23.4
196.14140	1.3
205.12282	1.1
207.02759	0.5
221.04591	0.6
233.08186	0.8
239.13005	0.7
241.14417	76.0
242.14714	6.2
247.08133	2.8
251.09177	4.6
265.09280	100.0
265.14291	27.2
266.09619	4.7
266.14816	2.2
269.04559	2.1
275.09290	1.0
285.04138	0.7
289.09280	5.8
307.10339	16.6
315.07504	0.6
333.08252	78.9
334.08536	5.1
353.09967	0.6
387.10822	0.7
413.14514	5.0
435.09320	0.8
453.10138	1.7
485.27414	0.7
515.28577	1.3
516.28552	0.6
575.15228	1.9
575.23773	3.8
575.31732	2.8
576.24518	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	66.7
67.01763	7.5
69.03323	1.8
69.45058	1.5
71.01251	7.8
71.51467	2.0
71.51840	1.6
73.02814	1.5
85.02826	5.4
87.00772	3.1
89.02347	3.1
93.03332	36.2
96.95884	1.8
101.02322	2.0
103.03893	2.7
104.70631	1.5
105.68539	1.3
108.02041	5.0
108.07136	1.3
109.02829	4.0
111.04388	8.9
113.02342	1.6
125.35526	1.2
137.02364	5.1
152.01047	6.2
153.01785	2.1
155.03435	5.0
173.04460	98.2
174.04735	3.3
191.05531	2.7
233.06615	100.0
234.06963	4.3
264.87924	1.4
265.09317	6.4
283.81699	1.7
309.11887	2.2
380.29980	1.3
485.67346	1.9
575.16138	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	574.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.1
59.01243	1.8
61.98699	100.0
62.05345	0.1
62.98401	0.2
69.24354	0.9
69.24782	0.4
71.01260	0.5
73.02812	0.3
76.56446	0.1
85.02863	0.1
89.02324	0.1
101.02318	0.3
113.02308	0.2
121.02934	0.1
129.56622	0.1
177.09113	0.2
231.10298	0.2
241.14287	0.1
247.13388	0.3
269.04623	0.2
299.05444	0.1
305.17715	0.3
349.16489	3.0
349.20688	0.2
350.17035	0.4
351.08417	0.1
368.75543	0.1
452.37747	0.1
479.96555	0.1
511.22104	0.4
515.22253	0.2
557.59918	0.2
574.25970	0.1
575.31201	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.7
59.01256	3.0
66.87428	0.5
69.03327	1.0
69.20331	3.0
69.20757	2.4
71.01252	10.1
71.04876	0.8
73.02815	3.7
81.03303	1.4
83.01225	1.0
85.02824	8.4
87.00766	0.6
89.02315	1.1
89.67091	0.5
93.03355	1.1
95.01260	3.6
95.04855	0.7
97.02828	5.3
99.00742	1.3
101.02310	4.4
103.03874	0.6
108.02049	48.8
109.02850	24.8
110.03216	0.7
113.02322	4.3
115.03891	8.5
121.02841	2.5
123.00765	2.4
123.04403	0.8
126.98949	0.6
127.57700	0.5
127.85077	0.6
135.04390	0.7
147.26120	0.6
151.03888	2.3
152.01054	66.2
153.01854	22.1
159.02930	0.8
161.04446	1.8
163.03923	2.2
165.01793	0.9
236.29608	0.6
268.62302	0.6
277.08929	0.7
299.44681	0.6
315.07220	11.1
377.51657	0.6
400.21616	0.6
413.10730	1.4
444.39807	0.7
516.08710	0.6
575.16119	100.0
576.16504	13.1
582.75836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.7
59.01249	16.1
61.98692	3.2
66.04509	0.6
67.85243	0.7
69.77347	3.8
71.01265	3.4
71.04881	0.7
73.02814	7.0
74.02355	3.4
75.00745	12.1
85.02824	1.8
87.00771	1.2
89.02328	1.6
95.01244	0.7
99.00755	1.4
99.92460	12.4
100.92473	1.0
101.02332	1.8
101.05946	4.0
110.59017	0.7
113.02322	1.1
114.05504	6.8
115.03897	1.6
116.03417	2.6
116.07002	1.1
116.92747	100.0
117.01820	7.3
117.02974	1.4
117.05450	2.4
117.92782	4.5
120.04438	2.7
120.99602	0.9
121.02831	1.1
125.02325	1.3
145.02827	0.8
271.06155	1.8
281.12933	2.7
369.13412	3.2
369.18268	0.6
370.20267	3.6
381.73804	0.8
399.14426	1.9
409.14825	0.7
456.22897	3.2
457.22839	1.4
495.24231	1.6
496.24448	1.4
513.30890	1.1
573.25775	1.0
573.33752	1.6
574.26056	3.3
574.34503	1.4
575.27881	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75106	0.3
55.01748	0.4
57.03307	0.7
59.01250	7.0
61.98689	1.8
65.00182	0.8
67.01756	33.7
68.02090	1.0
68.99688	6.9
69.03318	0.6
69.27621	2.9
71.01256	0.9
72.99143	0.5
73.02824	0.5
75.00716	0.4
83.01243	1.4
83.04897	0.6
85.02810	2.1
85.06464	0.9
87.04385	100.0
88.04721	1.8
88.19254	0.3
89.02317	0.5
97.02812	0.8
99.00745	0.4
99.07179	0.4
101.02311	0.7
101.05967	3.2
109.06469	0.9
111.00762	7.7
111.04391	1.4
112.00987	0.3
113.02357	0.8
113.05968	1.3
119.04839	0.5
121.06464	0.4
123.04414	0.3
124.29657	0.4
135.04332	0.6
136.42279	0.4
137.05911	0.6
139.03912	0.4
154.97586	0.4
211.56313	0.4
239.14302	0.6
251.14201	0.5
263.10797	0.9
269.15448	0.8
279.13852	1.4
286.01108	0.3
295.17111	1.0
300.02756	0.6
313.14383	0.5
313.18018	0.5
329.03116	0.6
330.03616	0.5
339.19302	0.4
344.04977	0.8
347.18542	1.8
359.18585	0.6
359.59622	0.4
371.18591	2.1
377.19577	0.9
383.22415	0.9
385.19940	0.4
389.19443	0.7
397.20160	1.1
415.20966	2.8
417.22781	0.9
427.21011	0.4
459.19894	1.2
459.24463	1.1
485.25446	10.3
486.25919	1.8
489.21210	0.6
491.35822	0.5
501.25113	0.9
513.30511	1.2
529.24371	59.3
530.24713	8.8
531.31830	0.5
573.27490	5.0
574.26581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
71.09953	1.9
99.87949	0.8
110.22602	0.8
111.68812	0.7
115.24303	0.7
123.64057	0.7
325.25296	0.8
379.13116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.2
59.01250	100.0
60.01577	1.0
61.98706	1.1
68.99701	0.3
69.03320	0.2
69.88259	0.7
69.88657	0.4
71.01250	0.5
71.14836	0.2
71.54195	0.2
85.02856	0.2
98.19775	0.2
101.05960	1.6
102.06309	0.3
109.06485	0.2
116.24454	0.2
149.06075	0.2
219.06647	0.2
270.66394	0.2
369.13440	0.7
444.21033	0.3
445.21832	0.4
487.32935	0.3
513.21741	0.5
529.26703	0.8
545.27081	0.4
572.25983	0.3
573.26709	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	573.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.4
59.01248	100.0
60.01577	0.7
61.98707	0.8
65.00186	0.2
67.01768	1.5
68.99707	0.7
69.03339	0.3
69.17722	1.4
69.18135	0.6
71.01250	0.5
71.22057	0.2
75.00714	0.2
85.02795	0.4
87.04388	7.0
88.34413	0.2
95.04914	0.3
101.05958	2.1
102.95205	0.2
106.54575	0.2
107.04933	0.2
109.06457	0.3
111.00774	0.8
113.02300	0.3
113.38866	0.2
117.49747	0.2
125.02379	0.2
292.22437	0.2
347.18631	0.2
395.15060	0.3
397.20288	0.4
401.23260	0.3
459.19958	0.3
460.24292	0.2
470.58148	0.2
471.20709	0.4
483.20361	0.3
485.25708	0.9
513.21167	1.4
514.21436	0.3
529.24365	4.3
529.31824	0.3
530.24927	0.7
536.89270	0.2
555.25824	0.3
573.26910	2.4
574.27136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59261	0.6
52.51812	0.6
57.03320	19.2
58.00460	0.9
59.01250	33.7
61.98687	1.7
69.03320	1.1
69.19267	5.5
69.19672	0.9
71.01251	17.7
72.99166	1.3
73.02814	6.1
74.16979	0.6
75.00758	0.7
76.06805	0.6
83.01251	3.5
83.04900	2.0
85.02820	19.5
85.06461	0.8
87.00748	1.5
89.02316	15.6
89.18158	0.5
93.03342	0.9
95.01266	1.4
96.95872	0.6
97.06490	1.0
97.99099	0.6
99.04369	0.7
101.02323	13.1
101.05952	0.6
102.00208	0.5
103.00235	2.0
103.03887	35.5
104.04189	0.7
113.02328	7.6
116.92745	1.0
119.03383	6.8
119.04871	0.9
121.02864	1.2
121.06371	0.7
123.04499	0.7
123.08041	4.3
127.03895	4.8
131.03461	1.0
137.09619	5.0
139.11159	1.9
143.03375	0.8
145.04984	1.5
146.02510	0.6
149.09605	5.6
151.11153	1.6
157.05028	1.0
160.71071	0.6
161.04504	1.3
164.03435	1.1
165.12746	2.7
167.14316	0.9
175.04036	0.8
177.12743	3.3
179.05556	1.8
179.10666	1.7
191.03175	0.6
193.03777	0.7
195.13831	34.4
196.14183	1.9
205.04977	0.9
219.06541	0.9
239.12845	42.2
240.13127	2.4
247.08206	2.7
263.12863	22.2
264.13132	2.1
265.09265	100.0
266.09625	5.0
269.04523	0.6
289.09271	6.0
307.10342	23.3
308.10605	1.4
333.08258	66.5
334.08603	4.7
336.73260	0.7
369.13312	0.8
573.22241	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16781	0.4
58.00468	0.7
59.01247	47.0
60.01563	0.6
61.98695	2.3
63.02264	0.9
65.00186	3.9
68.99671	1.2
69.40187	1.0
69.40583	3.5
71.01253	9.7
72.99175	0.7
73.02816	2.8
75.00737	0.4
81.03340	0.7
83.01246	1.9
83.50707	0.4
85.02818	5.2
87.00749	1.7
88.98672	0.7
89.02302	3.2
89.32157	0.4
95.01248	1.4
96.95882	1.9
97.02795	0.4
99.00746	0.7
101.02322	4.3
101.05937	0.5
107.01281	0.5
107.04902	0.6
108.02059	2.6
109.02853	0.5
109.06475	1.9
111.00781	0.5
113.02326	4.9
119.03381	0.8
119.04907	1.1
123.04414	1.7
124.01555	0.5
125.02330	1.0
128.07303	0.4
131.08566	1.0
133.02875	0.5
133.06483	10.8
134.03625	24.6
135.04451	3.3
137.02367	0.7
143.03392	1.0
145.17227	0.4
149.02281	0.9
149.05980	17.3
150.06303	0.5
151.07562	3.4
152.01073	0.5
160.01572	0.5
161.02362	2.4
161.04425	1.3
163.00250	1.4
175.00330	0.5
175.03922	1.2
175.07550	4.7
176.01062	2.4
177.01852	0.8
191.07063	0.7
193.08554	0.7
203.06949	0.5
204.07901	0.6
217.05075	0.6
219.06561	31.3
220.06921	1.7
221.11714	0.9
232.07332	0.9
233.08128	1.7
237.07677	1.5
243.06725	0.7
245.08145	1.7
264.06387	1.1
265.09396	0.6
268.03763	1.3
269.04279	0.7
283.06180	0.5
289.14413	0.5
294.68076	0.4
297.03836	0.5
298.22791	0.4
299.05621	0.5
311.05841	0.7
325.14383	0.6
325.23883	1.6
351.08524	0.7
351.25449	0.7
367.11551	0.6
369.13391	100.0
370.09119	0.5
370.13730	10.5
393.13187	0.8
411.14511	3.0
412.14481	0.6
513.30383	15.7
514.30829	1.4
531.31384	5.4
555.34479	0.9
573.17340	1.2
573.27893	1.7
573.36957	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05783	0.9
51.68448	0.8
57.03321	4.1
59.01242	18.7
61.98689	1.1
62.49831	0.8
65.68117	0.8
71.01252	13.6
72.39019	0.9
72.99158	1.6
73.02802	1.8
74.61318	0.8
77.99959	0.9
83.01241	1.1
85.02815	14.4
85.51945	0.8
87.00750	1.6
89.02312	10.0
91.10770	0.8
93.03323	1.5
95.01276	1.0
96.95860	1.8
98.20602	1.5
101.02322	7.8
103.03878	37.1
104.51132	0.8
107.04914	0.9
108.02025	1.0
113.02339	5.4
115.91997	1.0
116.92734	2.4
117.03335	8.3
119.03381	5.2
119.04912	52.1
120.05204	1.4
121.02803	2.2
125.02301	3.3
132.05682	2.2
133.06462	7.6
143.03308	1.4
145.02853	72.0
146.03172	2.5
147.04503	1.1
160.03973	1.4
161.04570	1.4
161.05980	21.6
163.03915	46.5
164.04329	2.7
177.05432	3.9
187.02454	1.9
205.04988	20.2
206.05438	1.5
235.06046	3.4
247.08159	0.9
249.11310	2.4
265.09308	86.9
266.09622	3.7
307.08298	1.2
393.11938	15.2
394.12375	1.1
411.12918	64.6
412.13388	5.7
470.59094	0.9
573.18146	100.0
574.18542	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	573.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28698	0.2
55.31427	0.2
57.47995	0.2
59.01246	6.8
61.98693	0.8
63.02264	1.8
65.00177	1.0
68.99683	0.4
70.00107	0.2
70.23393	0.2
71.01244	1.2
73.02802	0.5
75.27485	0.2
83.01257	1.5
85.02815	0.4
87.00776	0.2
89.02315	0.4
92.99693	0.2
93.03326	0.3
95.01276	0.3
101.02325	0.4
107.01260	2.9
108.02039	0.2
113.02296	0.5
117.03326	2.9
119.04924	0.3
121.02835	0.3
132.02046	0.2
134.03659	0.2
135.00774	0.2
135.04301	0.2
145.02808	0.2
148.01535	0.7
149.02359	1.0
149.99477	0.7
151.00256	3.5
152.00844	0.3
155.04938	0.2
156.05623	0.2
158.03632	0.2
159.04398	0.5
160.04008	0.2
161.09685	0.2
163.03790	0.2
167.04941	0.3
169.01314	0.6
171.04411	1.5
172.05237	1.1
175.00270	0.7
177.01854	2.2
178.99773	1.3
180.05675	0.2
183.04446	0.6
184.05164	0.6
185.02386	0.7
187.11215	0.2
195.04424	0.6
196.05203	1.0
197.05933	0.3
199.03909	0.3
200.04689	0.9
201.05435	0.2
211.02103	0.3
211.03922	2.3
212.04704	1.0
213.05466	0.3
215.03358	0.5
223.03911	0.4
223.13327	0.4
224.04787	0.3
225.05504	0.8
227.03447	0.6
239.03442	4.7
240.04210	5.8
241.04652	0.4
251.03397	0.2
253.05002	0.4
267.02972	2.3
267.12473	0.2
268.03738	100.0
269.04352	16.3
269.08704	0.3
270.04831	0.7
283.02527	0.7
283.05850	0.3
293.04526	0.6
295.02451	1.6
296.03241	21.2
297.04004	26.7
298.04410	2.2
323.13605	0.3
325.16046	0.2
333.07687	0.7
351.08704	8.1
352.09036	0.7
367.11679	0.6
369.09570	0.4
427.21219	0.3
513.14105	1.6
513.20819	0.3
531.14612	0.4
573.16095	46.1
573.24377	1.7
574.16406	5.9
574.23810	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81329	0.1
55.32804	0.1
59.01249	1.2
61.98700	100.0
62.98386	0.3
71.01263	0.3
71.33199	0.3
72.99212	0.2
73.02824	0.2
85.02837	0.2
89.02341	0.2
90.51736	0.1
96.95875	0.2
99.00838	0.1
101.02346	0.2
105.74098	0.1
108.02089	0.1
112.54692	0.1
113.02335	0.2
119.04941	0.2
121.02859	0.1
137.02386	0.1
152.18375	0.1
160.03972	0.2
161.04494	0.1
239.12843	0.1
245.08234	0.4
246.08522	0.7
247.08810	0.4
248.09085	0.3
265.09354	0.2
269.26227	0.1
285.04257	0.1
285.75381	0.1
291.10703	0.1
302.86700	0.1
367.17776	0.3
368.18039	0.4
431.36826	0.1
464.62756	0.1
572.24670	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02845	28.1
59.01252	38.2
71.01260	30.8
71.39127	11.7
72.99186	7.5
85.02819	13.2
87.00734	14.2
87.94076	5.3
88.98656	8.1
89.02309	16.8
93.03362	9.2
101.02303	6.3
103.03870	5.3
106.90871	5.7
108.02035	7.8
109.02831	12.4
111.00725	7.5
113.02303	13.5
119.04878	10.8
121.02843	6.6
125.02328	11.6
135.04408	5.7
145.02832	8.6
147.04402	18.3
148.05136	9.4
149.05872	9.1
152.01042	18.1
163.03925	11.9
163.07480	6.4
164.07117	44.2
187.02266	6.6
205.12314	8.8
206.08145	100.0
212.07028	13.0
224.08565	5.5
263.09296	11.0
265.09265	11.6
402.84119	6.6
411.16888	63.4
453.80002	6.9
483.15353	9.0
514.49066	5.4
573.18011	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2885
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.81962	0.4
54.72647	0.3
56.22769	0.4
56.73860	0.4
61.75206	0.3
61.98677	0.4
62.96278	0.4
63.75782	0.4
69.26270	3.3
78.95773	56.1
81.53618	0.3
82.20843	0.4
96.96836	11.9
97.30289	0.4
98.19756	0.7
120.04689	0.3
134.98407	0.8
149.63510	0.4
152.99487	62.2
153.99843	1.3
171.00423	0.5
199.54420	0.4
223.00095	2.1
241.01143	31.7
242.01486	0.9
245.16689	0.4
255.23262	73.7
256.23566	5.7
259.02219	0.9
315.04846	10.5
338.98642	0.4
391.22565	5.8
409.23706	0.6
520.96924	0.4
571.28864	100.0
572.29236	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	572.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.4
65.99736	0.2
71.01241	0.3
76.31708	0.1
85.02812	0.2
87.72815	0.1
91.01756	0.2
92.04263	0.1
93.03323	0.1
96.95879	0.7
98.19758	0.3
101.02319	0.2
113.02293	0.1
116.04945	3.9
116.92738	0.5
117.01931	0.2
121.02768	0.2
131.03685	0.2
132.04439	0.3
138.03136	0.2
149.02353	0.8
159.03128	1.0
160.03943	100.0
161.04300	4.2
164.04701	0.4
174.01878	0.6
174.05492	0.2
175.00281	0.5
190.02626	1.5
191.03378	0.3
200.03468	0.2
203.60889	0.1
204.01053	0.2
204.02940	4.1
204.04736	0.3
205.03278	0.3
205.05003	1.3
212.03424	0.4
218.04506	2.8
218.06458	0.2
219.04813	0.2
223.06061	0.5
234.87985	0.1
249.04277	0.2
250.05188	0.1
262.05157	0.2
263.05438	0.2
266.04642	0.2
266.07373	0.1
276.03040	0.3
277.03702	0.3
280.06064	0.2
290.04547	0.1
292.06152	1.4
294.04172	0.6
304.07980	0.1
308.05524	0.2
309.06299	0.2
322.09247	0.3
324.08728	3.5
324.14932	0.2
325.09052	0.3
336.05090	0.6
338.10388	0.2
351.07520	0.4
353.08704	0.7
366.08243	16.4
367.10120	2.2
572.14038	7.5
572.21344	0.2
573.14294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.5
59.00958	0.7
59.01248	14.6
59.99633	0.4
71.01250	9.5
71.52217	0.5
71.52623	0.6
72.99181	0.5
73.02805	1.1
78.95765	0.7
80.57002	0.4
83.01239	1.0
85.02819	11.1
87.00736	0.8
89.02312	10.7
93.03307	0.8
96.95897	3.4
99.04398	0.8
101.02328	7.5
103.03887	20.9
106.04129	2.9
107.04906	1.5
108.75262	0.5
109.24934	0.5
111.00762	0.7
113.02341	3.9
116.92715	0.7
119.03394	3.0
119.04935	0.8
120.17785	0.4
120.99527	1.7
121.02834	0.7
123.00754	0.5
125.02383	0.5
135.04420	0.6
137.02328	1.3
138.03198	0.5
143.03421	0.8
145.04999	0.6
147.08061	7.9
148.04900	0.5
149.02362	0.5
149.05969	0.8
150.03125	0.5
151.03905	1.2
160.03935	4.4
161.04495	1.0
163.03926	1.0
173.09618	6.1
175.07510	1.3
179.05519	1.1
190.02675	0.5
190.06290	1.2
191.07057	12.1
192.07333	0.5
193.05003	0.5
205.05013	0.8
216.07796	1.2
217.08644	7.8
233.08142	5.5
259.09647	3.1
265.09262	51.8
266.09570	2.4
287.13107	0.6
287.80481	0.6
293.10309	1.1
305.13937	2.7
306.14355	0.7
322.77661	0.5
323.14932	7.3
347.15134	2.7
365.16022	9.2
366.08615	0.9
366.16626	0.7
367.09656	0.5
395.16971	2.1
407.17313	0.9
425.18054	3.4
553.23193	3.3
571.23920	100.0
572.15741	0.6
572.24231	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	571.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23414	0.2
59.01244	1.7
61.98705	0.2
63.83843	0.2
69.18758	1.8
69.19173	0.5
71.01255	0.7
73.02821	0.5
85.02811	0.4
85.06451	0.6
87.04388	4.1
89.02321	0.3
90.17299	0.2
93.03320	0.2
95.04885	0.4
96.95879	2.8
101.02328	0.4
105.06966	0.3
107.08525	0.4
111.01858	0.3
113.02357	0.3
115.98577	0.2
116.92715	0.2
121.02849	0.4
122.03540	0.3
123.04415	2.1
125.05976	1.0
134.07242	0.3
135.04405	1.3
136.05179	0.3
137.02351	0.4
137.05956	0.3
148.08827	0.3
149.05957	1.9
150.06776	1.5
151.07549	20.9
152.07933	0.7
160.03986	0.3
162.03130	0.9
165.09090	0.2
175.07582	0.4
177.05492	1.0
177.12741	2.1
178.06273	1.0
187.07564	0.3
188.08279	0.2
192.07832	0.3
193.08633	4.2
193.12271	2.5
203.10693	3.1
205.08638	16.8
206.08992	1.0
219.10175	0.4
220.11005	3.3
221.11774	62.1
222.12099	3.7
229.08653	0.3
245.08205	1.1
247.09735	13.8
248.10127	0.5
264.10013	1.4
265.10788	15.4
266.11124	0.8
323.15289	0.5
323.18698	1.2
349.16568	3.5
350.17041	0.3
367.17578	100.0
368.17941	9.3
527.21149	0.3
571.24011	3.1
572.24579	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19521	0.7
57.03314	1.2
59.01250	100.0
61.98693	3.1
65.66850	0.7
67.01758	8.1
68.99677	2.1
69.03326	6.3
71.01248	2.1
72.99155	0.8
73.02821	0.9
79.05385	0.9
81.03360	0.8
83.01262	3.1
83.04914	1.3
85.02830	7.3
93.03371	0.8
95.01260	2.5
95.04914	2.2
96.99173	0.8
97.02826	4.1
101.02316	1.7
101.05965	55.4
102.06306	1.7
102.79692	0.8
103.59451	0.7
106.04155	1.8
107.01295	1.2
107.04935	1.0
108.02053	19.8
109.02847	8.0
109.06474	1.7
110.82201	0.8
111.00754	7.6
119.04912	0.9
121.06477	1.2
133.06485	0.8
137.02347	1.2
152.01050	22.2
153.01834	5.6
153.09106	1.2
229.15958	2.1
229.64960	0.8
241.15863	1.0
270.03842	1.0
273.14960	2.8
285.14923	1.1
310.10648	0.9
315.07187	4.3
341.17505	0.8
343.04047	0.9
345.17209	1.8
381.20786	2.2
395.14914	3.9
399.21945	4.5
417.19092	1.8
425.20178	1.5
443.20929	6.9
473.04105	0.9
483.27576	5.2
487.19901	4.4
497.21460	4.3
527.26483	21.8
528.26453	3.6
564.17828	0.9
571.21326	29.4
572.22791	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	571.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.3
58.00447	0.4
59.01248	14.3
61.98702	0.6
71.01252	9.7
71.52475	0.3
72.99168	1.0
73.01419	0.3
73.02812	2.7
75.00735	0.5
78.95783	0.7
83.01241	0.6
83.04884	0.7
85.02822	11.7
87.00753	1.2
89.02311	8.8
93.03329	1.0
95.01257	0.6
96.95882	0.7
99.00739	0.4
99.04394	0.5
99.92468	0.5
101.02320	6.7
101.05980	0.4
103.03884	21.0
104.04207	0.5
106.04111	4.0
107.04939	2.2
108.02036	0.6
109.02856	0.4
111.00797	0.3
113.02322	4.3
115.91970	0.5
116.92709	0.5
117.05460	0.4
119.03392	3.6
119.04922	0.9
121.02836	1.3
123.08040	0.4
125.02306	0.3
131.03404	0.6
134.03654	0.4
137.02295	0.7
137.09619	0.7
138.03162	1.4
145.04945	0.9
147.08029	1.0
149.02339	1.0
150.03114	0.9
151.07535	0.6
152.01042	0.4
159.08073	0.7
161.04457	0.9
161.09677	0.6
164.04674	0.8
166.71043	0.3
173.09647	0.5
175.00291	0.5
175.11205	6.1
179.05528	0.8
182.02153	0.8
183.08089	0.3
185.09659	0.3
187.11244	2.5
190.02628	1.1
202.28226	0.3
203.10678	0.4
205.04958	1.3
205.12494	0.3
219.10190	1.3
223.06067	0.6
225.12764	0.6
231.10268	0.5
231.13873	0.4
247.09941	0.5
247.13486	0.6
261.14816	0.3
265.09265	42.7
266.09653	1.2
279.15930	1.4
305.13956	2.6
306.14349	0.3
323.14954	19.3
324.15204	1.2
336.76605	0.3
337.16534	1.1
365.16010	18.6
366.16272	1.4
367.10260	0.4
367.17438	0.5
395.16989	1.9
404.03275	0.3
425.18210	3.0
467.18924	0.5
485.20126	0.3
511.21478	0.3
553.22571	0.9
571.23920	100.0
572.24292	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	571.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.4
57.03311	0.6
59.01248	7.4
61.98689	1.2
67.01740	0.5
68.99678	2.7
69.03328	1.4
71.01250	4.6
71.52379	0.6
72.99168	0.6
73.02805	0.5
75.00709	0.3
83.01243	0.6
83.04872	0.8
85.02830	1.3
87.00774	0.3
93.03381	0.5
95.01265	2.6
95.04900	0.3
96.95886	0.3
97.02818	0.7
99.00751	100.0
100.01078	1.5
101.02328	0.7
101.05958	16.5
107.04907	0.5
108.02043	0.4
109.02831	1.1
109.06503	0.8
111.00788	0.4
111.04375	0.6
111.08070	0.6
113.02334	0.6
117.01752	0.4
119.04926	0.8
121.06558	0.3
123.04395	0.6
125.02341	0.3
135.04404	0.7
137.02345	0.5
137.05969	0.5
139.07545	0.9
147.08034	0.5
161.09680	0.4
162.03133	0.6
163.03920	1.2
171.04242	0.3
173.09616	0.5
175.07594	0.9
201.09360	0.4
209.11752	0.6
211.11360	0.3
215.03552	0.7
245.15540	0.5
249.24902	0.3
251.14578	0.3
256.06342	0.4
257.15488	0.4
267.13815	0.4
279.13882	0.5
281.15283	0.3
286.07117	0.4
287.16745	0.4
295.13553	0.8
295.17044	0.5
305.15472	0.6
323.16553	0.7
341.17642	0.5
351.15970	2.1
367.15701	0.5
369.17114	0.6
372.87119	0.4
381.20868	0.3
389.19711	0.6
391.18970	0.4
411.14392	2.1
418.99988	0.3
425.20023	0.4
429.11365	0.4
441.19412	1.1
443.20633	3.8
444.21405	0.7
459.20615	1.2
469.23035	0.5
471.20181	13.1
472.20459	1.5
473.25824	0.8
480.05988	0.4
481.26627	0.6
487.19678	0.5
499.27997	0.4
513.21466	0.8
523.08258	0.4
527.26477	5.1
528.27252	0.6
543.25952	4.3
544.26740	0.5
553.12933	0.6
571.25775	14.9
572.26160	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	571.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07715	1.0
55.01737	1.1
56.44846	0.8
57.03313	1.7
59.00997	1.2
59.01251	17.2
61.98686	3.0
70.77856	0.9
71.01247	14.2
73.02818	12.4
79.95584	1.0
83.01245	2.4
85.02832	5.7
87.00749	1.0
87.04380	4.2
89.02301	2.9
90.98457	1.4
93.03325	2.3
93.88314	1.0
96.95893	15.8
97.02761	1.2
101.02325	7.8
103.03893	2.7
106.04132	6.4
107.04881	4.4
111.00813	1.3
113.02306	3.9
119.03358	1.5
119.04891	1.6
121.02774	1.4
123.04384	1.8
123.32357	1.1
135.04395	2.4
137.02315	1.6
138.03116	1.7
147.08087	1.2
149.02234	1.0
149.05952	1.3
150.03180	1.5
151.03908	1.0
151.07542	12.0
160.03915	2.0
161.09622	1.3
170.91420	1.0
173.09683	1.4
175.07610	1.0
175.11195	10.0
177.12770	1.5
182.02121	1.5
184.07565	8.5
185.07872	4.6
187.11177	3.5
189.08937	1.1
190.02591	2.1
193.08592	2.1
193.12221	1.9
195.06523	1.6
203.10579	3.4
205.05020	1.7
205.08618	9.8
205.12349	1.6
217.86891	1.0
219.10127	2.9
220.10919	2.9
221.11778	39.0
222.12163	2.1
223.06071	1.9
225.12808	2.0
231.13844	1.7
239.12790	1.4
247.09756	10.7
265.06790	1.5
265.08865	1.3
265.10718	5.9
279.15961	3.7
305.13971	6.3
323.14972	100.0
324.15231	6.3
349.16513	2.8
365.16086	11.4
367.17581	62.7
368.17969	5.0
425.18243	1.1
432.85632	1.2
511.21497	4.4
512.22491	1.7
522.09253	1.2
525.50031	1.4
527.21222	13.1
528.21667	1.8
529.22601	2.0
571.23779	18.9
572.24091	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	569.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.4
61.98702	0.8
67.01762	0.3
69.66465	0.4
71.52769	0.6
72.99143	0.3
73.02820	0.5
78.95777	0.7
84.53789	0.3
87.00758	0.6
101.05957	100.0
102.06307	2.4
111.00745	0.4
125.00753	0.3
125.09618	0.6
152.99471	0.5
171.10223	0.5
209.11758	0.4
219.62735	0.3
253.21568	0.4
267.17523	0.8
285.18668	0.3
381.20541	0.4
391.19025	1.3
413.23294	0.4
435.17938	1.5
467.20868	0.6
472.98334	0.4
537.24939	4.1
538.25275	0.8
569.28162	1.0
569.40381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71780	1.4
57.03311	3.0
59.01250	24.6
68.77404	1.4
71.01255	18.5
71.52667	2.1
72.99181	1.8
73.02812	14.2
83.01255	2.1
85.02822	8.3
87.04369	2.9
87.35502	1.2
89.02319	5.4
93.03327	2.7
96.95889	14.9
101.02312	10.6
103.03873	7.8
106.04111	7.9
107.04918	3.9
113.02325	5.5
113.78098	1.3
116.92771	2.1
119.03384	2.6
119.04913	2.5
121.02850	2.7
137.02347	2.1
147.08018	1.6
150.03081	2.7
151.07553	10.6
158.62659	1.4
160.03986	1.8
161.04460	2.1
161.09659	1.5
163.03877	1.4
164.04649	1.6
173.09612	4.9
174.52693	1.3
175.11212	9.2
177.05524	1.4
184.07545	9.2
185.07968	7.1
187.11191	3.5
193.08624	1.7
193.12215	1.4
195.06519	2.5
203.10698	1.9
205.08633	8.5
205.12270	2.7
219.10234	2.0
221.11757	24.3
222.12114	2.7
247.09776	10.1
265.09036	14.8
271.09863	1.4
279.16010	2.2
280.19366	1.3
288.13266	1.4
305.13931	6.3
323.14972	100.0
324.15338	9.8
326.09445	2.2
349.16519	3.3
365.15997	12.2
367.17581	49.0
368.17883	4.9
409.18570	5.3
425.18408	1.7
511.21634	3.0
527.21094	11.4
535.46136	1.4
537.83795	1.7
554.22369	1.5
571.23920	43.1
572.23901	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	569.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.6
56.51276	0.6
57.03318	2.1
58.00454	0.8
59.01247	24.4
61.98680	0.9
66.19573	0.6
69.03275	0.6
71.01250	15.7
72.99187	1.3
73.02820	1.6
75.00751	1.1
83.01252	1.6
83.04912	0.6
85.02821	15.7
86.03162	0.6
87.00747	1.2
89.02312	15.3
93.03353	0.6
95.01254	1.0
96.95872	0.7
97.02877	0.7
98.18741	0.5
99.00755	0.8
99.04366	0.6
101.02319	12.5
101.02991	0.7
103.03886	30.7
104.04218	1.0
105.89178	0.5
108.02037	1.3
109.02863	0.9
111.00736	0.6
113.02322	6.3
116.62536	0.6
117.05472	0.6
119.03384	6.1
119.04875	1.4
121.02812	1.4
123.04336	0.8
127.03895	1.8
137.02312	1.4
140.81137	0.5
143.03398	1.3
145.04939	1.9
149.02214	0.6
149.05928	0.7
161.04489	1.7
163.03874	0.7
175.03931	2.5
179.05492	1.1
181.33661	0.6
190.02646	0.9
191.05258	0.6
205.04955	1.3
219.06526	0.7
227.07074	0.6
229.65555	1.1
235.11823	1.2
245.07967	0.9
247.08192	1.2
263.09232	2.3
265.09265	100.0
266.09570	5.4
289.09335	1.5
303.12329	0.6
321.13348	1.2
333.08237	22.3
334.08731	1.5
363.14117	0.8
435.01755	0.6
510.62570	0.6
569.21252	18.3
570.21667	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	569.2391
Annotation	CP 225917
Peak:m/z	Relative Intensity
50.00149	0.8
59.01250	6.5
61.98705	4.9
63.10243	0.8
67.01406	1.7
67.01756	34.3
68.99688	29.8
69.03313	1.4
70.86320	1.2
70.86636	2.0
71.01248	1.7
73.02839	1.1
83.04883	1.7
85.02821	86.2
93.03342	0.9
95.01265	2.0
96.95916	1.4
97.02806	1.7
97.06471	1.5
101.05960	100.0
102.06287	1.4
106.15036	0.9
107.04893	1.8
108.02074	1.3
109.02816	1.6
111.00741	4.2
111.04354	1.4
112.01530	6.6
123.00704	1.1
135.04427	3.1
136.73164	0.9
138.03122	1.3
151.03835	1.5
152.01039	1.7
162.96902	0.9
163.03979	1.0
171.04211	0.9
177.05519	0.9
181.73483	1.0
227.10617	1.0
270.04022	2.0
299.88528	0.9
309.18533	2.1
353.17514	1.3
379.19196	1.2
397.20251	4.4
423.17804	1.0
441.19199	10.6
442.19644	1.4
455.24475	9.8
456.24756	1.9
481.26041	17.6
497.25189	1.7
525.24902	87.5
526.25342	13.3
564.70984	1.1
569.24408	4.7
569.39203	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	569.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.7
57.03313	3.9
58.00466	3.5
59.00956	3.1
59.01245	44.8
59.36164	1.9
61.98684	6.2
65.00194	2.2
65.03805	2.7
68.99693	3.1
69.03324	5.1
69.58961	14.5
71.01250	37.2
72.99165	6.6
73.02824	10.1
74.98949	3.4
75.00731	11.5
78.95781	3.7
79.01743	3.1
81.03300	5.8
83.01242	10.4
83.04877	2.8
85.02821	28.1
86.03177	2.5
87.00754	10.2
89.02318	25.1
91.01752	2.6
93.03297	7.7
95.01254	6.8
96.95882	22.4
97.02829	6.8
98.02301	2.0
99.00719	7.6
101.02309	24.1
103.03858	8.3
105.03327	2.2
107.01196	3.1
107.04884	5.6
108.02034	7.4
109.02846	10.2
109.76099	1.9
111.00742	8.6
111.04389	4.5
113.02316	16.0
119.03349	8.0
119.04896	8.9
120.99471	2.3
121.02824	21.9
123.00751	6.7
123.04387	7.0
124.01512	3.7
125.02338	19.9
129.01828	3.2
131.03386	3.2
133.02786	2.7
134.03661	1.9
135.00737	2.8
135.04349	5.9
136.01521	2.8
136.98865	3.7
137.02357	15.4
139.00217	3.2
139.03870	6.1
141.01817	3.1
143.03375	3.1
143.04881	5.4
145.01697	2.9
145.02846	51.8
147.04362	3.2
149.02332	5.7
150.03073	2.3
151.00250	4.5
151.03870	7.9
153.01840	19.0
153.05391	2.8
157.06470	5.5
159.02933	3.2
159.04372	4.6
161.02290	4.1
161.04359	2.5
163.00272	10.6
163.03920	4.0
164.01024	2.6
165.01831	6.2
167.03352	7.8
168.04143	2.2
169.06473	3.8
171.10172	11.4
173.05939	3.4
177.01741	5.6
179.03371	5.6
179.05576	2.4
181.01353	14.0
181.06335	2.2
182.02029	4.4
183.02870	6.0
183.08037	4.4
185.06024	4.1
189.05458	3.9
190.02534	2.4
191.03384	4.3
195.02931	3.8
197.06041	2.5
199.03941	4.1
201.05432	7.1
205.04922	3.6
207.02885	7.7
207.04999	11.0
211.07568	3.2
212.04677	4.3
213.05598	17.2
215.03423	13.8
217.05048	2.3
219.02861	3.6
221.06151	2.4
225.05513	4.8
226.06224	2.9
227.03423	7.0
227.07118	5.0
229.04974	13.9
237.03775	2.9
241.05000	40.5
242.05569	2.8
243.06546	3.9
245.04588	14.3
253.04987	24.7
254.05417	2.6
255.06668	12.2
257.04526	11.3
258.05139	7.6
258.07715	2.6
265.09305	14.2
269.04532	3.7
271.06119	13.3
274.07123	6.0
279.10873	22.0
281.04507	8.3
283.06107	55.7
284.06451	4.5
285.11255	3.8
286.04596	5.7
287.05569	4.2
299.05142	2.4
301.07056	17.4
303.07462	3.3
303.10910	8.6
311.05508	4.5
313.07138	3.9
316.08197	8.6
321.13391	6.1
322.13422	2.0
327.07156	5.3
329.06589	18.9
331.08066	5.6
343.08081	9.0
347.09769	3.7
359.07693	14.0
361.09283	46.8
362.09738	4.7
365.08688	5.0
371.07590	2.1
376.10187	2.0
379.10248	4.7
389.08722	3.8
397.13382	3.0
401.08850	2.3
405.11630	3.4
407.18979	2.3
413.08615	2.9
415.14450	2.2
431.09735	20.7
432.09930	2.6
443.09692	3.8
449.10812	73.1
450.11127	9.1
461.10782	2.7
479.11639	3.5
525.20068	5.0
551.13574	3.2
569.14972	100.0
569.23602	22.3
570.14893	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	567.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.8
61.98693	4.3
71.01244	7.0
73.02800	0.8
78.95773	2.3
78.98458	4.7
79.95600	8.9
80.96388	61.9
81.03309	1.5
85.02823	3.3
87.00742	2.2
94.97957	14.4
96.95889	1.2
97.02815	1.7
99.00709	0.7
101.02315	2.5
106.97961	3.6
111.45091	0.7
122.97462	4.6
125.02336	3.7
127.03883	1.1
134.97481	5.0
136.99030	1.3
148.99025	5.2
150.91891	0.7
152.98422	5.1
152.99590	1.7
164.98558	11.8
182.99548	1.5
206.99670	3.4
223.86269	0.9
225.00674	15.6
226.00809	0.8
229.54713	0.9
243.01758	1.9
245.04211	2.0
245.08154	1.0
254.21974	1.5
267.23279	3.3
290.81845	0.8
299.04413	2.7
406.84177	0.8
458.98346	0.7
482.25955	3.9
567.28412	100.0
568.28723	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	568.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.7
59.00956	1.8
59.01247	28.2
60.01580	1.3
61.98700	8.3
62.62729	0.9
63.44588	1.0
65.00192	1.6
67.01756	1.1
70.92278	3.0
71.01251	10.5
71.15276	1.2
72.99177	1.6
73.02812	3.7
83.01247	2.7
85.02811	5.6
87.00720	1.6
87.04391	2.2
88.98694	2.2
89.02300	3.4
93.03320	2.5
94.06480	1.4
101.02327	5.3
103.03870	1.4
104.04954	1.2
107.01270	2.7
107.03625	3.2
108.02050	4.6
109.02831	4.5
111.00744	2.6
113.02309	3.8
116.83228	1.2
119.04938	6.7
120.05254	1.3
121.02829	4.9
121.05211	12.9
122.06007	35.8
125.02335	1.3
132.04443	55.1
133.04778	2.2
134.06004	4.7
135.04453	1.3
135.06773	3.4
136.03960	1.1
136.07594	3.4
137.02301	1.1
137.04681	1.5
137.05960	1.0
138.05455	2.5
144.04489	1.3
149.02365	1.9
149.04738	2.1
150.05475	3.9
151.00282	11.2
151.98157	1.1
152.01051	7.4
152.07071	100.0
153.01814	2.6
153.07387	3.9
153.77115	1.4
158.02408	2.5
160.03949	5.7
162.05487	2.4
163.03969	1.7
164.03409	6.5
164.04671	2.3
164.07130	2.7
165.01923	1.3
166.05005	5.8
167.05750	3.8
173.04340	1.1
176.03445	23.1
179.61264	1.1
189.09094	3.5
190.04997	13.3
191.05812	7.5
192.06535	1.6
205.05006	1.8
223.08879	1.7
236.09500	1.6
237.10225	2.0
239.08293	3.9
241.05011	5.9
245.08136	2.2
246.05768	1.2
246.08527	1.8
251.08226	1.4
251.11888	3.0
256.07376	3.0
265.09515	2.9
267.06860	1.3
269.04532	5.5
270.04855	2.9
271.06094	5.1
271.09720	8.3
272.06308	1.3
277.14606	1.8
279.07733	3.2
280.08459	3.9
283.10626	1.9
285.04187	1.3
293.09341	3.0
295.10892	5.4
296.11591	2.7
297.09100	1.5
297.12408	8.0
303.12607	1.2
311.10388	2.7
312.11145	6.4
313.11816	3.4
323.10233	3.0
325.11273	4.8
327.13455	3.1
341.11398	60.8
342.11832	6.3
342.15549	1.2
349.16528	1.3
355.12949	17.4
356.13724	40.2
357.13989	3.6
359.15991	1.3
371.16348	1.3
388.12759	40.3
389.13004	4.1
401.17371	3.6
404.16138	2.5
416.19601	2.2
417.17538	1.7
422.39957	1.3
445.16791	1.4
452.14001	1.3
460.18735	6.1
477.18948	1.6
483.18826	1.3
492.21417	17.0
493.22299	2.5
504.17596	2.8
506.21039	2.1
508.34714	1.3
524.16473	2.3
524.24054	42.6
525.18890	17.1
536.20276	13.9
537.20624	2.8
568.22943	61.9
569.23358	14.9
577.15546	1.2
578.15692	1.5
579.17035	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	567.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03054	0.9
56.99120	0.9
57.03315	6.4
59.01249	85.7
60.01572	2.4
61.98708	6.4
67.01776	1.2
69.03322	13.9
69.28783	7.5
69.29190	2.3
71.01251	26.6
72.99169	3.8
73.02816	13.0
73.93761	0.9
75.00748	2.6
83.01262	7.4
83.04906	1.7
85.02827	9.6
87.00751	3.5
87.04384	3.2
87.35448	1.1
88.98664	2.4
89.02293	8.0
93.03342	5.2
95.01263	3.6
95.04939	1.1
97.02904	1.6
98.19807	2.0
99.00736	1.7
101.02316	16.1
103.03882	2.5
106.04116	1.3
107.04941	1.8
108.02072	7.5
109.02869	6.2
110.03155	1.1
111.00747	4.6
111.04446	1.7
113.02332	11.7
113.29816	1.0
113.59380	0.9
114.02672	0.9
117.03320	1.4
119.03375	3.6
119.04903	4.6
121.02840	100.0
122.03132	2.4
122.06015	2.5
123.00771	1.2
123.04414	2.2
125.02336	1.7
129.05461	1.0
131.03377	1.4
132.04454	2.0
133.02852	1.3
135.00775	1.1
135.04410	5.5
135.07983	1.2
137.02338	3.9
138.06746	6.0
143.03336	1.5
149.02304	4.2
151.00253	4.2
152.01067	9.4
152.07071	4.1
153.01772	3.8
153.09113	16.8
155.06992	1.1
161.02353	1.4
161.04416	4.3
163.03894	2.9
163.11183	1.0
164.04626	1.2
165.05511	1.1
167.03433	3.7
175.00241	3.2
175.03847	1.1
190.02654	7.8
191.03355	1.4
193.60674	0.9
205.04977	8.1
205.12242	3.6
206.05368	1.3
223.06093	1.8
223.13385	2.8
226.02702	1.7
241.03621	2.8
241.14417	81.6
242.14746	4.8
243.02838	4.6
245.15465	1.1
255.02887	3.2
256.05939	6.4
265.09232	2.3
268.03699	2.9
269.04547	6.9
270.04898	1.4
271.02466	12.5
271.05942	2.6
271.09619	2.1
272.02731	1.0
273.15033	1.1
285.03931	1.2
287.12796	3.7
289.14413	1.3
300.02698	9.9
301.03403	4.3
301.14349	3.6
315.07571	1.2
316.07294	1.1
319.15204	1.1
325.10864	1.3
341.11374	1.4
345.13248	1.2
347.14902	1.4
347.18536	1.5
355.13089	1.9
356.13348	1.1
407.16687	1.1
451.19687	2.4
460.18930	1.4
492.21481	2.6
506.33908	3.2
507.22073	4.1
507.29089	3.2
507.34528	3.3
521.00220	1.1
523.21777	6.1
525.23315	2.2
525.29553	4.5
549.30792	1.2
567.11255	12.1
567.23871	26.7
568.12201	3.1
568.24414	5.8
577.15558	1.2
579.17212	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	567.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.5
59.00965	0.7
59.01251	11.9
61.98690	2.6
70.13194	2.0
71.01248	4.0
71.29470	0.5
72.99168	0.6
73.02789	1.8
75.00739	0.6
78.95770	0.5
80.56499	0.7
81.03309	2.1
83.01270	3.8
83.04870	0.6
85.02806	2.0
89.02314	1.3
95.01225	0.6
101.02308	2.4
103.03907	1.2
106.06464	0.6
107.04899	0.6
108.01997	0.6
109.02753	0.8
110.20329	0.6
113.02329	1.7
119.04886	0.7
121.02812	1.8
123.04378	3.0
125.02345	1.2
137.02316	1.9
145.76630	0.6
149.02301	1.5
149.09554	0.8
151.00279	0.7
151.03914	1.2
163.03830	1.1
164.04710	1.3
166.02618	7.9
177.05574	0.5
179.03410	13.5
180.04129	4.2
181.04495	0.9
188.96030	0.6
191.03386	15.3
191.10770	1.6
192.04135	2.2
205.04982	4.0
208.03876	0.7
215.40227	0.6
219.06450	2.8
220.07339	3.1
233.08058	0.8
235.09671	2.1
257.15506	0.5
265.09409	0.7
269.04483	0.6
275.12958	0.7
275.16348	1.2
277.14368	4.7
287.12766	1.4
301.14270	1.0
303.15872	1.6
315.15900	0.7
319.15466	100.0
320.15747	7.8
343.15475	5.2
344.15970	0.8
361.16486	5.2
391.17831	1.0
481.20743	0.8
507.29239	1.4
523.21777	14.7
524.22241	2.0
525.30444	1.7
540.05933	0.6
567.23779	3.0
567.31750	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41517	1.0
57.03325	1.2
59.01249	50.9
59.21757	0.9
60.62149	0.9
61.98690	4.8
67.01813	0.9
68.70440	0.9
71.01252	13.8
72.76302	1.0
72.99180	81.4
73.02820	7.7
75.00755	1.4
79.05385	1.3
83.01254	3.2
83.04866	1.4
85.02821	4.3
89.02312	5.7
93.03359	2.6
95.01239	2.7
101.02309	8.5
103.03896	1.4
106.04133	2.9
107.04930	2.7
108.02053	2.3
109.02850	1.9
111.00828	1.0
113.02315	6.1
119.03361	2.9
119.04884	1.6
121.02858	6.0
122.03577	3.7
123.00797	1.0
123.04393	3.2
123.08094	1.2
134.03621	3.4
135.04422	20.6
136.05179	3.8
137.02309	3.6
143.03325	1.4
147.04411	3.9
148.05183	4.0
149.02335	5.7
149.05920	1.7
150.03136	1.6
151.03932	1.3
153.72852	1.0
161.02325	3.3
161.04379	1.3
162.03172	5.5
163.03922	1.5
165.05392	1.3
166.02620	4.3
173.06023	5.3
173.09592	1.2
174.06773	1.8
175.07487	1.4
178.02589	3.1
187.07625	7.6
188.08315	4.3
189.09193	1.2
201.09105	3.0
206.02112	9.3
229.15887	4.1
232.07217	2.4
245.15417	10.4
255.13922	1.6
257.15442	100.0
258.15784	9.4
271.16916	1.9
273.14981	24.8
274.15198	1.9
275.16608	5.0
283.13327	1.3
285.14917	1.7
289.14459	1.3
295.10440	2.2
295.90771	1.2
297.14816	2.5
299.12930	1.5
299.16531	4.2
301.14426	84.7
302.14682	5.4
303.16156	1.2
315.16068	5.5
325.40417	1.2
331.15494	2.4
343.15494	16.3
344.15909	1.2
361.16748	1.9
391.17386	1.3
405.15433	2.0
477.21411	4.9
481.20459	5.9
488.25977	1.3
505.20663	1.8
507.29373	4.0
507.35846	1.8
523.21808	81.7
524.22211	10.2
525.30579	5.1
549.30402	1.9
567.24268	9.0
567.31720	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	567.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73298	0.8
57.03326	3.0
59.01251	11.5
61.98703	3.5
71.01263	2.8
71.21475	1.0
71.21810	1.8
71.26717	0.8
73.02793	0.9
76.62555	0.8
77.04823	0.9
83.01246	4.8
83.04876	1.5
89.02332	1.3
101.02303	1.8
103.03906	1.1
113.02351	1.2
119.04879	1.1
123.04417	3.1
124.01534	1.8
125.02322	1.3
137.06003	2.8
149.06041	0.9
164.04633	2.1
166.02640	3.6
167.03461	1.1
179.03413	8.4
180.04147	3.5
184.96722	0.9
191.03395	3.6
192.04237	1.8
200.71510	0.9
205.05034	1.6
215.73518	0.8
219.06586	3.5
233.08089	1.0
265.09256	1.1
277.14395	7.7
319.15479	100.0
320.15805	8.8
343.15540	2.4
361.16547	20.6
362.17154	2.0
369.28061	1.0
391.17667	5.9
507.28653	1.1
523.21844	16.1
567.24377	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	567.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.1
59.01249	13.7
61.98706	2.7
69.03318	1.0
70.81502	1.6
71.01248	4.2
71.04871	0.5
73.02805	1.5
81.03326	2.8
82.13135	0.6
82.85404	0.6
83.01249	7.8
83.04890	0.9
85.02824	2.4
89.02327	1.1
93.03350	1.1
93.95774	0.5
95.01248	1.2
95.04891	3.6
97.02826	1.5
97.76870	0.5
99.00761	0.9
99.04427	0.6
99.05849	0.5
100.64613	0.5
101.02334	2.7
107.04883	1.1
108.02050	1.5
109.02815	0.8
109.06489	1.0
113.02332	2.4
119.04877	1.1
121.02840	1.8
121.06464	0.6
122.03592	1.7
123.04395	4.7
124.01512	2.1
125.02321	1.9
128.04289	0.6
134.03558	0.6
135.04402	1.3
136.05124	0.6
137.02332	2.2
137.05998	2.7
138.03113	1.9
139.03857	0.9
139.07607	0.8
143.74005	0.5
149.02304	1.0
149.05937	0.8
149.09547	0.7
150.03055	0.8
151.03893	1.9
152.04660	0.6
161.04497	0.8
163.11133	1.5
164.04668	2.0
165.01782	1.4
166.02626	3.8
167.03401	3.0
175.03900	0.6
177.05544	0.5
179.03401	6.5
180.04198	10.0
183.06493	0.5
189.09081	1.0
191.03400	0.8
192.04216	1.1
193.04974	1.5
205.04976	1.8
208.03722	3.0
221.08240	0.7
233.08047	3.1
245.15352	1.0
249.14819	0.8
272.46182	0.6
275.12936	0.6
275.16373	1.4
277.14404	6.9
289.14484	0.8
299.16513	0.9
303.16049	0.7
317.17389	1.3
317.20926	0.7
319.15466	26.3
320.15759	1.9
331.15616	3.8
333.16910	0.7
343.15485	0.9
345.17072	1.1
349.16498	0.8
361.16522	100.0
362.16885	9.3
373.16483	2.0
391.17593	25.2
392.17960	2.5
403.17596	1.0
445.18900	1.1
463.20523	0.6
481.20667	1.7
505.21307	0.9
507.35889	0.6
523.21484	3.0
525.30945	0.8
567.30762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58876	0.5
54.85830	0.5
57.03329	0.6
59.01250	5.3
61.98690	2.3
69.03323	0.5
70.38721	0.8
70.39048	1.2
71.01234	1.6
73.02826	0.8
81.03329	2.5
83.01252	8.3
83.04872	0.6
85.02806	0.8
85.81463	0.6
93.03306	1.0
95.01237	0.7
95.04887	1.5
97.02829	1.0
101.02292	0.6
107.04877	1.0
108.02052	1.1
113.02327	1.0
121.02837	1.3
121.03599	0.6
121.06488	0.8
122.03628	0.8
123.04395	4.1
124.01478	1.0
125.02348	1.0
135.04393	2.1
136.04839	0.6
137.02347	2.1
137.05951	0.9
138.03114	1.8
139.03896	1.4
149.02409	0.7
151.03889	1.3
152.04680	0.7
163.03798	0.6
164.04677	1.5
165.01863	1.2
166.02643	4.9
167.03407	4.8
167.18654	0.6
173.06067	0.5
175.07527	0.8
175.11258	0.6
179.03423	7.4
180.04190	12.5
191.03439	1.3
192.04213	0.8
193.04955	0.9
193.12276	0.9
203.07146	0.7
203.14334	1.1
205.05058	0.7
205.08638	0.7
208.03699	4.9
215.14401	0.8
219.06619	0.8
221.04456	1.1
231.06552	0.6
233.08162	0.8
238.04626	0.8
245.15405	1.5
247.13364	1.2
249.07639	3.7
257.15451	1.1
261.07642	0.7
275.09131	0.8
275.16473	1.2
277.14435	3.8
287.12457	0.6
289.14468	6.0
307.15549	0.5
317.17630	1.3
319.15485	15.4
320.15747	1.1
331.15546	5.4
343.15421	0.9
349.16412	0.6
359.15027	0.6
361.16541	100.0
362.16876	9.7
373.16559	2.3
379.58478	0.6
391.17603	30.6
392.17960	1.9
403.17633	1.7
445.18689	0.8
481.20578	2.5
505.20511	0.7
523.21802	3.3
567.31665	0.8
568.20178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.1
56.95539	0.9
59.01247	19.8
61.98700	1.4
69.03326	1.7
71.01254	7.2
72.99184	1.5
73.02816	2.5
75.00769	1.2
80.82315	0.9
81.03323	12.4
83.01258	2.9
85.02827	4.0
89.02323	2.3
91.05433	1.4
93.03351	1.6
95.04899	10.2
96.95950	1.0
97.02828	3.5
99.00797	0.9
99.04403	5.8
101.02314	3.6
103.03858	1.1
105.03371	2.0
107.01271	1.5
107.04897	1.1
108.01996	1.3
109.02852	1.7
111.00753	1.0
113.02328	2.7
117.03324	3.4
119.04890	1.8
120.99543	3.3
121.02854	3.7
122.03602	0.9
123.00803	1.0
123.04391	9.5
125.02344	11.4
128.76855	0.8
133.02853	1.7
134.90312	0.8
135.04399	1.8
137.02335	3.9
139.03880	1.3
139.96382	1.1
147.04396	1.3
149.02359	5.1
150.03094	0.9
151.00238	1.2
151.03906	1.1
153.05482	0.9
157.06526	1.6
159.04373	4.5
161.02351	0.9
163.00262	2.6
163.03918	1.6
165.01796	2.1
167.03403	48.8
167.41670	0.8
168.03621	1.6
170.90324	1.0
171.07938	1.4
175.00313	2.3
175.03891	1.3
189.01863	1.5
190.02650	1.8
191.03432	1.7
193.01376	3.9
197.04434	1.7
197.06079	1.5
199.07584	5.4
201.01884	2.9
201.05492	2.2
202.02194	1.5
205.05067	1.5
213.09087	6.1
215.07059	1.9
217.01402	1.4
227.07094	1.2
239.07126	2.0
241.08736	3.1
243.06638	5.1
255.06631	6.0
256.07321	3.7
257.08072	1.4
265.09293	2.2
267.06662	6.8
269.08167	1.3
281.08157	3.0
285.07663	74.3
286.08075	7.1
297.07654	1.6
309.07678	20.3
310.08121	2.4
315.08823	4.0
317.33813	1.0
319.11667	1.2
327.08719	2.8
339.08530	2.1
387.10687	2.3
447.12921	100.0
448.13220	12.2
477.14090	4.2
495.25839	1.8
506.33972	2.2
523.18152	3.9
523.25604	4.3
567.17755	4.9
567.24921	3.9
568.25891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.7
59.01254	14.5
61.41991	0.8
61.92143	0.8
61.98700	1.5
67.01776	1.0
68.99693	1.0
69.03318	2.2
71.01248	10.8
71.04890	1.4
71.07865	1.8
72.99153	1.2
73.02815	4.2
81.03339	10.6
83.01232	7.9
83.04895	2.4
85.02821	9.2
86.03162	1.1
87.00744	0.9
88.98692	1.0
89.02331	2.0
91.05416	2.0
93.03324	5.0
95.01261	3.6
95.04909	6.3
96.95907	1.0
97.02844	5.3
99.04410	3.1
101.02337	4.8
103.03883	7.3
106.04134	2.9
107.01281	1.2
107.04892	3.0
108.02043	2.8
109.02836	4.2
111.00787	1.9
111.04392	3.4
113.02322	5.5
115.00251	1.6
117.03353	4.1
119.04892	2.6
121.02813	6.8
121.06475	2.7
123.00797	1.8
123.04398	13.0
124.00660	2.2
125.02346	16.8
133.02873	0.9
133.06531	1.5
135.04417	5.3
137.02327	7.4
137.05946	5.1
138.03114	1.8
138.31453	0.7
139.03897	4.3
142.69118	0.8
146.08148	1.6
147.04422	3.0
149.02374	3.0
149.05989	1.2
150.03099	1.2
151.00288	2.3
151.03911	5.8
153.05472	3.1
155.03372	1.2
157.06509	1.4
159.04355	6.0
159.08014	0.9
161.05960	2.0
161.09602	2.8
163.00267	1.3
163.03918	4.1
164.04666	1.9
165.01842	2.9
165.05489	5.1
167.03403	27.2
171.08035	1.7
173.04381	0.9
173.09515	0.9
175.03900	1.0
175.11188	2.6
177.01851	2.7
177.05386	2.0
179.03412	5.8
181.05016	2.4
186.01910	1.1
190.02625	2.0
191.03384	2.3
193.01399	1.0
193.04927	2.0
195.06471	1.0
197.04468	7.5
197.06076	1.8
199.07573	8.3
201.05627	1.2
205.01399	1.7
205.05028	2.0
209.04504	29.2
210.04851	1.1
211.07590	1.7
213.09102	2.6
214.13675	1.2
215.07104	3.4
216.05968	1.0
221.04498	2.0
223.06052	1.9
230.08102	1.6
231.08459	1.4
235.02388	1.5
239.05504	14.1
239.07468	1.1
241.05110	1.8
241.08681	2.5
241.14438	1.2
243.06587	9.5
251.05466	1.5
255.06570	4.5
256.07364	1.2
257.11847	3.4
257.15457	1.1
258.07584	1.1
265.08902	1.3
269.06528	2.5
269.08304	1.2
274.07172	1.3
275.07571	2.0
275.12906	3.1
279.06628	0.9
285.07687	21.1
286.08026	1.9
289.14450	23.6
297.07666	12.4
301.10770	5.1
301.14197	1.6
305.20361	1.0
311.09167	1.7
315.08749	9.5
316.08527	2.7
317.08487	2.1
324.06415	1.7
325.06973	1.0
327.08731	100.0
328.09067	8.0
329.08844	1.0
339.08643	6.2
341.10226	1.5
357.09775	85.2
358.10083	6.9
369.09784	5.1
387.10858	28.5
388.11176	3.0
399.10483	1.5
411.10718	1.1
417.12228	1.2
429.11905	10.7
430.11975	1.1
441.11819	1.8
447.12927	23.4
448.13168	3.0
450.43958	0.9
459.12970	7.9
460.13318	1.3
477.13977	4.1
505.18005	1.1
506.33765	1.6
522.16150	1.6
523.16467	25.2
524.16962	2.3
549.16199	2.2
560.05652	0.9
567.16962	17.5
567.26147	1.3
568.16937	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	19.3
61.01655	0.7
61.98689	2.0
65.00182	0.6
71.01263	4.7
72.99158	1.3
73.02798	1.6
75.00738	1.0
80.02552	0.7
81.03325	8.1
83.01257	2.6
85.02811	3.6
89.02313	2.1
93.03319	1.3
95.01257	1.2
95.04896	8.8
96.95892	1.2
97.02811	2.8
99.04388	4.6
101.02335	3.8
103.03905	1.7
105.03339	1.2
108.02003	1.0
109.02875	0.8
111.00729	1.2
113.02301	3.1
115.05481	0.8
117.03339	3.0
119.04861	1.8
120.99539	4.6
121.02840	3.1
122.03603	0.8
123.00777	0.9
123.04411	8.3
125.02328	10.0
131.01265	1.2
133.02834	2.5
133.06506	0.8
135.04408	1.0
137.02321	3.1
149.02339	3.2
150.03130	1.2
151.00230	1.4
157.06505	1.9
159.04378	4.2
161.02374	1.1
161.04408	1.2
163.00244	1.6
163.03876	2.1
165.01846	2.4
167.03404	41.1
168.03676	1.4
175.00288	2.6
175.03937	1.1
175.07564	0.9
176.00903	0.8
177.01787	1.8
181.04919	0.8
182.33636	0.8
189.01855	1.7
190.02585	2.1
191.03409	2.5
193.01341	3.1
197.04497	1.7
197.06087	1.3
198.06665	0.8
199.07542	3.8
201.01892	2.7
201.05467	1.3
202.02206	1.1
205.04948	2.0
209.04347	0.8
210.92271	0.7
213.09154	4.5
215.07048	1.6
217.01270	1.5
223.05861	1.2
239.07104	1.4
241.08617	3.0
243.06725	4.2
255.06569	5.9
256.07321	3.5
257.08139	1.7
265.09253	1.8
267.06662	8.0
269.04425	1.7
281.08154	3.3
284.06775	1.0
285.07672	66.7
286.08212	4.6
297.07385	1.0
309.07672	19.8
310.07870	1.8
315.08752	2.7
327.08752	3.4
339.08731	1.6
387.10675	1.6
414.89795	0.8
447.12921	100.0
448.13266	10.9
477.13840	2.6
495.26013	1.8
505.33167	0.8
506.33786	1.8
523.17615	5.0
523.25311	1.0
567.17871	3.7
567.25635	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	567.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	19.3
61.01655	0.7
61.98689	2.0
65.00182	0.6
71.01263	4.7
72.99158	1.3
73.02798	1.6
75.00738	1.0
80.02552	0.7
81.03325	8.1
83.01257	2.6
85.02811	3.6
89.02313	2.1
93.03319	1.3
95.01257	1.2
95.04896	8.8
96.95892	1.2
97.02811	2.8
99.04388	4.6
101.02335	3.8
103.03905	1.7
105.03339	1.2
108.02003	1.0
109.02875	0.8
111.00729	1.2
113.02301	3.1
115.05481	0.8
117.03339	3.0
119.04861	1.8
120.99539	4.6
121.02840	3.1
122.03603	0.8
123.00777	0.9
123.04411	8.3
125.02328	10.0
131.01265	1.2
133.02834	2.5
133.06506	0.8
135.04408	1.0
137.02321	3.1
149.02339	3.2
150.03130	1.2
151.00230	1.4
157.06505	1.9
159.04378	4.2
161.02374	1.1
161.04408	1.2
163.00244	1.6
163.03876	2.1
165.01846	2.4
167.03404	41.1
168.03676	1.4
175.00288	2.6
175.03937	1.1
175.07564	0.9
176.00903	0.8
177.01787	1.8
181.04919	0.8
182.33636	0.8
189.01855	1.7
190.02585	2.1
191.03409	2.5
193.01341	3.1
197.04497	1.7
197.06087	1.3
198.06665	0.8
199.07542	3.8
201.01892	2.7
201.05467	1.3
202.02206	1.1
205.04948	2.0
209.04347	0.8
210.92271	0.7
213.09154	4.5
215.07048	1.6
217.01270	1.5
223.05861	1.2
239.07104	1.4
241.08617	3.0
243.06725	4.2
255.06569	5.9
256.07321	3.5
257.08139	1.7
265.09253	1.8
267.06662	8.0
269.04425	1.7
281.08154	3.3
284.06775	1.0
285.07672	66.7
286.08212	4.6
297.07385	1.0
309.07672	19.8
310.07870	1.8
315.08752	2.7
327.08752	3.4
339.08731	1.6
387.10675	1.6
414.89795	0.8
447.12921	100.0
448.13266	10.9
477.13840	2.6
495.26013	1.8
505.33167	0.8
506.33786	1.8
523.17615	5.0
523.25311	1.0
567.17871	3.7
567.25635	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
61.98700	34.0
66.03352	13.2
68.94220	5.8
71.01263	19.4
71.01627	5.1
71.07587	5.5
71.07926	7.9
72.99155	6.5
73.02821	10.9
75.00771	7.3
85.02820	16.7
92.97337	6.6
93.03339	31.0
95.21203	5.6
96.95956	7.4
101.02329	18.3
108.02058	12.9
109.02836	44.6
110.02351	20.6
113.02318	11.9
120.04441	20.7
121.02876	6.6
127.03982	6.6
163.03954	7.3
165.05373	6.7
276.26898	7.4
318.14059	9.8
352.20108	10.8
472.22284	41.7
488.21939	24.5
523.21875	6.7
534.18774	11.3
565.18347	6.1
567.31201	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	565.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98117	0.5
59.01249	100.0
61.98703	19.2
70.35153	2.1
71.01250	1.1
73.02821	1.9
78.95805	0.7
80.96403	0.5
97.06493	1.2
97.34244	0.5
125.84575	0.5
135.08041	0.5
152.99445	0.7
171.10187	0.6
201.11217	0.7
211.28268	0.6
310.59363	0.5
373.27722	1.8
378.01700	0.5
387.29117	2.1
399.29291	2.2
411.29160	1.3
417.30215	0.9
429.30432	1.1
447.31113	29.0
448.31464	3.6
505.35367	33.9
506.35696	4.6
523.33246	0.8
563.84680	0.5
565.34741	1.1
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
50.28489	0.3
55.01750	1.4
56.89920	0.3
57.03325	4.6
58.00465	0.8
58.03658	0.5
59.01249	100.0
60.01583	5.9
61.01677	0.8
61.98701	11.9
62.93077	0.4
65.00187	0.4
65.41185	0.3
69.03324	1.4
69.66253	1.4
69.66653	0.6
71.01253	29.9
71.04904	0.7
72.01585	2.2
72.99184	2.2
73.02817	6.2
74.03161	0.5
75.00742	0.8
78.95794	0.4
81.03349	0.5
83.01253	4.4
84.02019	0.4
85.02820	16.0
85.25661	0.3
85.99987	0.5
86.03151	1.7
87.00751	1.9
87.04390	0.9
88.18861	0.4
89.02318	7.7
90.02677	0.7
93.03345	2.1
94.54065	0.4
95.01270	3.9
96.01588	0.6
96.38931	0.3
96.95888	0.5
97.02820	1.4
99.00753	2.9
101.02323	12.5
102.02655	1.3
103.02779	0.4
103.03889	1.1
106.04142	0.4
107.01304	0.4
107.04888	0.5
108.02081	2.0
109.02867	0.9
111.00759	2.4
112.01600	0.6
112.14026	0.3
113.02332	16.3
114.02671	2.6
119.03406	3.1
119.04897	3.0
120.01182	0.3
120.99541	0.6
121.02863	1.7
122.03644	0.5
122.06071	0.8
123.00801	0.4
123.04422	0.9
123.08034	0.5
124.01574	0.9
125.02332	1.7
127.11233	0.3
129.01814	0.5
133.02879	1.0
134.03606	0.6
134.05989	0.4
135.04413	1.3
136.03986	0.5
136.07607	0.4
137.02328	1.6
143.03406	2.9
143.04936	0.6
143.10703	0.6
149.02319	1.7
149.04434	0.6
150.03145	0.6
151.00285	1.0
152.01050	1.1
152.07127	1.2
153.01845	1.4
159.02904	1.1
159.48810	0.4
160.03981	0.6
161.04451	4.4
161.05688	0.5
162.03290	0.4
162.04823	0.9
163.03883	2.1
164.04694	1.0
167.03447	0.7
171.13768	0.7
175.00279	0.9
175.03897	0.6
177.01837	0.5
179.03465	0.4
179.05528	0.4
187.13327	0.4
190.02634	4.1
191.03439	0.5
193.04999	0.5
201.14899	0.6
205.05038	3.1
208.03696	0.4
223.06049	1.5
241.05052	1.5
256.03497	0.4
256.07385	1.2
257.49564	0.4
265.09464	0.7
267.06799	0.4
268.03741	1.2
269.04538	6.9
271.09842	1.8
284.03244	3.2
285.04037	6.4
285.07343	0.5
293.09259	0.9
316.25821	0.4
325.10913	0.4
343.28470	0.6
344.28799	0.7
360.28156	0.6
361.29510	5.2
362.29926	4.6
399.23895	1.7
447.13000	0.6
451.13055	0.5
476.32870	0.5
502.16174	1.4
505.27954	0.5
505.33771	23.6
506.34091	57.7
507.34445	4.2
522.21759	0.6
523.34814	6.4
524.35205	15.5
525.35626	1.2
559.14136	0.5
566.21997	0.7
566.36322	2.4
567.11420	5.3
567.22021	2.7
567.23566	2.6
577.15540	2.1
583.34888	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
57.03323	4.0
58.00462	1.0
59.01248	90.6
60.01589	0.9
61.98705	1.0
62.88952	0.3
69.03334	0.8
69.44300	2.3
71.01250	25.9
72.01602	0.4
72.99186	1.1
73.02818	5.8
73.03207	0.5
75.00755	0.5
83.01256	2.9
83.76264	0.2
85.02821	15.0
85.99976	0.6
87.00751	2.0
87.04395	1.1
89.02319	7.4
91.01796	0.4
95.01258	4.1
97.02833	1.1
99.00761	2.6
100.10815	0.3
100.97849	0.3
101.02316	12.6
108.02071	0.7
109.02831	1.0
111.00768	1.0
112.01559	0.8
113.02328	17.1
115.03941	0.4
119.03375	2.1
119.04868	0.4
123.08064	0.6
124.01553	0.6
125.02345	1.7
127.11151	0.5
129.01799	0.4
131.03363	0.3
135.00777	1.3
141.09148	0.4
143.03397	1.8
143.10663	0.8
152.01080	0.6
153.01778	1.7
153.09140	0.4
155.10657	0.3
159.02885	0.8
161.04448	3.9
161.13136	0.3
169.12334	0.4
171.13812	1.2
179.05455	0.5
187.13303	0.7
190.02618	0.3
201.14850	1.0
215.16393	0.5
257.21198	0.6
259.28275	0.3
315.25409	0.6
343.28516	1.8
359.27969	1.0
361.29547	9.7
362.29919	0.6
442.32828	0.3
446.08441	0.3
457.31522	0.9
469.31598	0.9
475.32690	0.9
505.33786	100.0
506.34073	12.2
521.20056	1.6
521.32739	0.3
522.21149	0.3
523.34821	25.8
524.35168	3.0
565.18439	1.6
565.35895	4.6
566.36176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29151	1.0
57.49978	0.9
58.00471	1.5
59.01249	100.0
61.98697	2.5
65.05751	0.9
73.02818	8.2
74.63833	0.9
97.06460	3.6
98.20506	2.1
150.23073	1.0
175.13835	1.0
196.03603	1.0
229.67868	1.2
279.95688	0.9
355.26471	1.0
373.27316	3.5
387.28970	4.5
399.28857	7.0
411.29028	3.5
417.12613	1.0
417.30103	3.3
418.30460	1.4
429.30038	2.3
447.31113	76.0
448.31512	9.2
505.35361	75.4
506.35617	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	565.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01589	0.7
61.98696	1.8
64.19083	0.3
71.01268	1.0
71.07949	0.5
85.02799	0.4
85.35889	0.3
101.02335	0.4
107.93433	0.3
113.02343	0.5
117.03384	0.7
119.04905	2.4
139.62854	0.3
145.02885	1.0
163.03920	1.8
177.05586	0.3
217.08650	0.4
228.01865	0.2
463.19745	0.6
505.20929	1.0
565.20758	2.7
565.28009	0.3
566.21417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96459	5.5
56.29924	6.4
59.01250	100.0
61.98692	38.6
70.09456	23.5
71.01248	10.6
78.95789	15.9
80.77207	6.1
96.95914	7.3
121.02859	7.8
152.99445	20.5
180.07211	6.9
201.11232	7.7
332.93704	7.5
404.65448	6.7
447.30838	16.3
451.87585	6.6
505.34961	19.0
565.24274	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	565.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.4
57.03323	4.3
58.00431	0.7
59.01249	56.9
60.01576	0.9
61.98679	1.7
69.03322	0.9
71.01254	17.9
72.99170	1.1
73.02828	4.7
75.00753	0.8
75.38258	0.6
81.03331	1.2
83.01254	2.7
83.04897	0.7
85.02818	11.4
86.03149	0.9
87.00733	2.3
89.02318	3.8
91.01761	0.6
93.03338	1.0
95.01275	4.5
99.00747	2.0
101.02327	8.0
101.68919	0.6
103.03886	2.2
107.04888	1.1
108.02051	61.1
109.02847	36.2
109.03465	0.4
109.03616	1.0
110.03163	1.1
111.00761	0.8
113.02338	9.8
119.03378	1.3
121.02819	1.3
123.00789	1.4
123.04404	1.6
125.02345	1.3
135.00764	2.8
135.04384	0.7
137.02347	0.9
143.03415	1.3
150.56966	0.5
151.03889	2.4
152.01053	72.3
153.01846	26.7
154.02155	1.4
158.77231	0.8
161.04485	2.8
161.09630	1.7
161.13329	1.0
163.03905	1.4
163.11227	1.2
165.01898	1.4
173.16910	0.6
179.05495	1.0
187.11183	2.2
189.09100	2.0
190.02638	1.4
205.05003	1.3
205.12363	1.1
265.09314	3.4
315.07184	20.9
316.07336	0.9
361.29568	3.6
448.59354	0.6
503.19046	1.7
503.32132	1.2
504.32565	4.7
505.17447	2.9
505.33752	38.5
506.33987	2.3
521.19989	3.2
522.33557	1.1
523.34760	11.1
533.21899	0.7
547.18457	0.7
565.19159	100.0
566.19495	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	565.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	0.6
57.03321	5.5
58.00483	0.9
59.01247	59.5
60.01575	0.9
61.98693	3.0
68.99668	0.7
69.03350	0.7
71.01247	17.3
72.99170	1.4
73.02818	6.0
76.03186	0.6
81.03323	0.8
83.01241	4.2
85.02818	10.6
86.03093	0.6
87.00739	2.9
87.04362	0.9
89.02313	3.1
93.03318	1.7
95.01270	4.5
97.02853	0.7
99.00742	2.2
101.01708	0.9
101.02319	10.9
103.03889	2.4
106.29389	0.6
107.04895	2.0
108.02045	53.4
109.02838	33.3
111.00755	1.2
113.02338	8.6
117.43565	0.6
119.03380	1.0
121.02837	1.9
123.00761	1.9
123.04399	1.4
125.02312	1.4
125.09657	0.7
133.02873	1.2
135.00742	1.2
135.04385	2.1
137.02322	2.3
143.03381	1.2
148.01689	0.6
149.02335	1.2
149.05910	0.7
151.03879	2.1
152.01050	63.2
153.01842	28.1
159.02991	0.8
161.04451	3.7
161.09610	2.1
161.13237	1.0
163.03783	1.4
163.11208	1.2
165.01831	1.6
171.13826	1.5
173.11705	1.6
175.00249	0.8
181.05089	0.9
182.02144	1.1
187.11197	1.7
189.09068	1.9
190.02563	1.8
195.02818	0.7
197.04387	0.8
205.04953	1.9
205.12256	2.8
207.10129	1.0
229.44563	0.7
245.15334	1.2
255.19624	2.4
257.17532	1.8
265.09299	1.1
273.15045	1.4
315.07211	25.6
316.07657	1.1
317.19861	4.1
359.14944	1.1
361.29654	5.6
387.46414	0.8
400.16034	0.7
475.32788	0.8
503.19177	2.6
504.32440	3.0
505.17676	4.4
505.33737	54.2
506.33951	2.8
521.20477	4.4
522.33704	1.4
523.34717	15.2
547.18231	2.2
565.19208	100.0
565.28229	8.0
566.19476	12.1
566.27979	1.0
571.84100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.6
57.03325	4.9
58.00478	0.7
59.01249	79.7
60.01585	2.0
61.01673	0.8
61.98695	1.1
67.01750	0.6
69.03320	1.7
71.01250	24.9
72.01579	1.2
72.99172	1.6
73.02818	5.6
75.00744	0.8
77.64436	0.4
78.26032	0.4
79.05392	0.6
81.03336	1.6
83.01254	3.4
83.04893	0.9
85.02820	15.4
86.03196	0.5
87.00738	2.8
87.04408	1.0
88.98670	0.5
89.02319	7.1
93.03333	1.3
95.01250	4.7
95.04913	0.6
97.02825	1.2
97.06477	0.6
98.19739	0.7
99.00755	2.2
99.04445	0.6
101.02328	11.0
102.02647	0.5
103.03885	2.2
107.04913	1.3
108.02051	63.2
109.02846	36.2
109.39638	0.5
110.03149	0.8
111.00777	1.3
112.01588	0.5
113.02330	16.2
114.02679	0.8
116.85388	0.4
119.03377	2.1
119.04930	0.6
120.05577	0.4
121.02849	2.1
123.00755	1.7
123.04430	1.2
123.08060	0.6
124.01528	0.6
125.02335	1.4
133.02992	0.4
135.00758	1.1
135.04411	1.3
137.02298	0.5
143.03406	1.9
144.03812	0.5
151.03900	2.4
151.07501	0.5
152.01054	70.2
153.01840	27.2
154.02144	0.8
155.10716	0.6
159.02914	0.9
159.08128	0.6
161.04448	4.3
161.09596	2.3
161.13252	0.5
163.03905	1.4
163.11212	0.9
165.01857	1.5
171.13770	0.7
173.11888	0.4
177.01833	0.5
177.09081	0.9
179.03539	0.6
187.11177	2.6
189.09111	1.9
190.02647	0.9
201.14864	0.7
205.04988	0.8
205.12306	0.7
207.10201	0.8
225.04068	0.5
235.13220	0.8
235.37509	0.4
235.39983	0.4
241.13304	0.5
249.11159	0.5
262.70050	0.5
265.09177	2.6
301.39755	0.4
315.07202	23.4
316.07458	1.2
317.14609	0.6
341.76117	0.5
359.27844	0.8
360.28336	1.0
361.11243	0.6
361.29483	7.0
367.17590	3.7
401.25644	0.5
403.14999	0.6
474.31985	0.6
474.49710	0.5
475.33011	0.6
487.32135	1.0
503.19254	2.3
503.32227	1.0
504.25558	0.7
504.32568	11.1
505.17670	2.8
505.33691	52.7
506.17337	0.7
506.33896	1.8
521.20129	3.6
522.33398	2.9
523.34698	16.7
524.35358	0.9
529.22681	0.8
533.21283	0.6
547.18079	1.0
565.19177	100.0
565.35797	3.3
566.19537	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	565.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	83.8
61.98692	19.5
69.29553	2.8
71.01242	20.7
71.52932	4.2
72.99182	5.3
73.02812	7.6
78.95783	3.7
81.54939	2.8
83.01253	8.4
85.02818	13.0
88.15246	2.7
89.02314	6.1
101.02319	11.8
102.98479	5.1
103.03875	17.9
106.04137	4.0
107.04910	3.3
108.02071	6.5
109.02824	6.7
113.02325	4.8
119.04868	5.3
121.02844	16.4
121.06410	3.8
122.03672	3.7
123.04407	3.9
135.04422	3.9
137.02330	4.2
149.02354	8.7
151.00270	3.9
159.04361	6.7
159.08064	3.7
163.03883	4.5
166.02641	3.1
203.03418	7.7
223.05988	3.6
225.75615	3.4
227.10757	5.2
229.12338	20.4
245.15465	4.1
255.02951	5.9
255.10172	10.2
273.11279	23.5
273.13977	3.9
274.11682	3.3
284.03226	4.8
285.03906	9.2
287.12952	3.8
299.09042	5.6
315.12296	5.2
317.10275	45.2
318.10587	4.4
319.15463	16.2
329.13995	3.8
359.11285	24.0
359.15155	7.9
361.15927	3.7
389.16208	4.8
419.13412	11.6
454.75940	3.3
479.15424	24.5
521.20251	36.6
522.20313	5.7
565.18982	100.0
566.19421	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	564.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09986	8.0
59.01247	100.0
61.98701	93.1
69.34195	66.8
69.34605	14.4
71.01254	11.3
73.02786	14.1
102.88029	8.6
103.00900	7.6
106.53026	9.4
121.02815	16.2
130.04059	11.2
145.06444	17.4
159.08076	11.0
171.10022	10.2
203.07002	11.4
245.15349	18.4
269.29138	9.0
271.13458	44.8
289.14490	76.5
291.19858	11.6
298.14642	16.9
316.15555	68.1
340.15381	15.1
447.31058	21.9
490.32120	11.8
502.20709	29.2
505.35477	23.3
520.21552	11.9
531.80804	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	565.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.6
57.03319	1.3
59.00952	1.2
59.01249	20.9
60.86081	0.5
61.98693	4.5
65.03833	1.8
67.01767	2.0
69.03339	0.7
71.01255	7.2
72.99172	2.0
73.02818	3.8
78.95770	0.6
83.01255	1.8
85.02837	3.4
87.00731	0.6
89.02319	2.5
93.03325	1.6
95.01244	1.1
97.02813	0.8
98.19772	1.3
99.00763	0.8
99.04398	3.7
101.02317	4.6
103.03909	0.7
106.63760	0.5
107.04906	1.1
108.02065	2.0
109.02840	5.2
111.61514	0.6
113.02319	2.8
117.03355	0.9
119.03424	1.0
119.04922	2.2
121.02843	10.6
122.03622	2.3
123.04417	1.3
125.02377	0.6
129.90941	0.5
131.04887	0.8
133.02864	4.2
133.06511	0.7
134.03609	1.0
135.04465	1.1
137.02373	1.1
139.03889	0.5
145.02864	1.4
145.06551	0.7
149.02357	1.8
152.01085	1.0
152.61063	0.5
153.01849	0.7
157.06500	1.2
159.04428	8.2
159.08051	2.9
160.04971	0.6
161.04430	1.5
161.05867	1.0
161.09642	1.3
163.03903	0.7
171.04463	0.8
173.05989	3.2
175.03922	0.9
177.01860	1.1
179.05620	0.7
181.06563	0.8
183.07977	0.8
186.06693	0.8
187.03955	0.9
189.05511	1.2
195.13646	0.6
197.06084	0.8
199.04074	0.7
199.07617	0.8
201.05579	0.8
203.03439	4.8
209.09593	0.7
211.11272	1.3
217.05026	0.8
218.05815	1.6
222.06822	1.2
225.05327	0.6
227.10719	6.4
229.12294	12.4
230.12639	0.8
237.09125	2.5
241.14398	0.7
255.10222	10.3
256.10654	0.6
273.11362	8.2
273.14224	1.0
274.11847	0.9
286.03790	0.7
287.12793	1.2
295.10190	0.6
299.09171	6.3
300.09784	0.6
317.10287	100.0
318.10635	8.1
359.11359	5.7
479.15558	1.8
505.33725	6.5
521.16498	35.0
522.16809	5.8
522.33282	0.8
523.34656	0.8
531.76904	0.7
546.76556	0.6
564.34381	1.6
565.22174	1.2
565.30206	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	63.2
59.18818	0.4
60.01579	3.0
61.01683	0.6
61.98703	100.0
71.01259	0.9
73.02825	1.0
83.51248	0.4
84.28190	0.4
85.02821	0.8
97.06480	0.5
98.20561	1.0
103.03893	0.8
167.13191	0.4
181.70139	0.4
260.62292	0.4
316.12643	0.6
339.12946	0.5
373.27420	0.9
374.27451	0.8
396.21021	0.4
447.31271	3.4
455.30939	0.8
456.31787	1.1
503.33673	2.7
503.72894	0.4
504.34177	3.1
505.35458	3.4
564.21625	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	564.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.9
57.03321	5.3
59.01248	100.0
60.01585	4.6
61.98701	23.2
67.69743	0.9
69.12955	1.0
71.01250	23.0
71.99757	1.2
72.01568	2.0
72.99174	2.8
73.02815	9.8
75.00729	1.0
83.01246	5.4
85.02820	15.6
86.03172	1.1
87.00730	3.2
87.19410	0.9
89.02300	7.4
93.03326	2.2
95.01246	3.3
97.02814	1.4
98.19778	3.0
99.00723	3.5
101.02322	17.0
103.03858	1.7
105.53403	1.1
106.04112	1.9
107.04902	2.0
108.02044	6.3
108.81358	1.0
109.02818	3.3
111.00754	1.9
113.02323	13.3
114.02670	0.9
115.12209	0.8
119.03384	1.6
119.04862	1.6
121.02830	2.9
123.00764	1.0
123.01765	1.1
123.08037	2.1
125.02337	2.2
134.03633	2.2
141.12704	1.0
143.03378	2.2
147.04460	0.9
151.00284	1.4
152.01035	5.4
153.01782	2.6
153.02904	1.2
159.02948	1.4
159.08089	1.3
161.04414	3.7
163.03839	1.3
166.02669	1.3
171.13850	1.3
187.13235	1.7
201.11143	1.2
225.12839	1.2
227.14323	1.9
229.15930	3.2
230.09906	1.3
241.14372	1.7
265.09296	1.3
269.04443	2.4
271.13394	1.7
281.98764	1.5
282.14938	1.6
285.04123	1.1
298.14584	4.9
298.98825	1.2
299.12378	1.0
300.15933	3.3
311.99695	2.9
315.07144	2.0
316.15475	24.6
317.15952	2.1
317.19379	1.3
326.98367	13.5
327.01904	1.7
327.98972	2.7
340.02722	1.2
341.26688	1.3
342.00797	12.3
343.01135	1.4
357.03076	2.2
358.03873	2.3
359.27951	5.0
360.28275	3.7
361.29724	1.5
367.98520	2.7
383.01025	2.0
385.99780	5.6
401.02051	5.2
402.11368	1.1
431.16916	2.7
449.17944	2.5
502.21066	1.8
503.32196	20.2
504.32565	28.8
505.33783	14.4
520.21973	16.5
521.21368	4.8
521.33466	8.5
522.33795	8.8
523.34650	4.3
532.05432	2.7
546.06995	3.2
564.08075	22.9
564.33466	1.8
565.08276	4.2
565.19623	5.4
565.28839	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	564.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56138	2.0
59.01252	34.5
61.98704	13.9
62.89089	1.7
68.18147	1.8
68.51514	1.8
69.22056	21.8
71.01256	12.5
73.02824	7.8
78.20458	1.8
80.46949	1.8
81.98970	1.8
83.01278	3.5
85.02818	5.1
85.56133	2.0
89.02327	5.0
100.76228	1.8
101.02334	8.8
106.04138	7.3
107.04909	3.8
108.02047	2.5
113.02322	3.4
115.18767	1.8
119.03320	2.1
119.04884	3.6
119.55211	2.1
121.02834	2.1
124.87501	2.0
125.02380	2.3
143.62665	2.6
153.01996	2.2
159.08070	3.6
161.04469	2.4
175.11166	5.6
205.04887	2.2
221.88628	1.9
227.14427	2.9
229.15968	8.4
245.15349	5.7
255.58559	2.3
273.14890	2.3
282.14975	3.7
300.16205	4.0
333.74411	2.0
407.20746	7.0
465.58475	2.4
469.43289	2.2
475.19666	8.2
478.20737	3.3
502.21213	10.5
504.32526	2.9
520.21881	100.0
521.22351	14.3
565.22449	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	564.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	38.7
61.98686	5.5
69.20414	27.2
71.01241	12.6
73.02796	5.1
74.33337	2.4
75.00742	2.3
85.02814	6.3
89.02295	3.0
101.02308	9.4
102.05480	6.7
106.04102	10.2
113.02299	3.5
119.04871	2.8
128.03419	11.5
138.03050	2.4
146.04469	6.7
159.08076	4.5
160.01872	3.0
160.29169	2.4
166.02548	2.7
175.11198	2.7
179.57071	2.2
229.15913	15.0
245.15366	5.7
255.13965	3.6
273.14929	21.7
282.14896	7.9
298.14410	6.7
300.16013	4.2
402.19342	5.0
407.20685	4.5
460.19995	4.7
475.19662	13.6
478.21069	4.1
502.20761	28.8
503.20718	7.4
520.21887	100.0
521.20947	21.5
564.24603	36.3
564.33118	4.8
565.24512	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	564.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	79.6
61.98690	6.1
69.61784	16.4
71.01254	21.4
73.02827	16.0
76.72034	2.5
83.01247	7.9
85.02823	10.3
89.02284	5.2
91.42165	2.6
93.03364	3.7
99.00735	3.8
99.51556	2.4
101.02316	12.0
106.04071	6.2
109.80821	2.6
113.02319	12.4
122.07053	2.7
125.02320	2.8
185.15201	2.8
190.02705	2.7
199.06346	4.1
226.80919	3.0
227.14275	2.8
229.15968	4.0
280.13351	12.5
282.14981	30.7
298.14496	8.9
300.15991	21.7
359.28113	5.2
375.46936	3.2
454.93396	2.9
475.19534	6.7
478.20441	4.5
502.20950	18.5
503.32236	15.3
504.32553	26.0
505.33545	6.6
520.21912	100.0
521.22064	14.2
521.33502	5.8
522.33661	9.5
563.33191	3.0
564.34222	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	563.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.1
58.00447	1.6
59.01249	100.0
60.01579	1.7
61.98698	12.8
65.96782	1.0
69.03327	1.9
71.01254	7.7
73.02818	18.9
73.53040	0.9
82.37140	1.2
83.04895	10.1
85.02825	9.1
85.06452	13.9
87.00746	22.4
87.19583	1.1
89.02303	2.7
97.06445	1.4
101.02349	1.7
103.03882	12.5
113.02319	2.1
115.03932	1.1
125.09594	1.4
171.10297	1.2
176.75705	1.0
189.14758	1.1
190.02711	1.1
195.38844	1.0
198.16074	1.0
201.11241	2.6
221.19046	3.5
239.20294	1.2
263.20169	1.9
265.09244	1.1
269.04559	1.1
273.18597	2.5
283.19101	3.1
287.20145	7.1
297.20633	1.9
299.20123	1.5
312.70721	1.0
315.21902	1.8
339.21741	2.9
347.22043	1.5
353.24664	6.7
354.25174	1.2
356.38470	1.1
367.26447	1.9
371.25693	2.6
385.27429	3.0
397.27298	3.5
399.25098	5.4
409.27432	1.7
415.28207	1.9
427.28745	1.8
443.24277	1.6
445.29562	73.2
446.29880	7.7
459.27106	5.0
460.27811	1.5
503.26407	12.5
503.33603	60.4
504.27225	2.2
504.34061	10.7
519.20282	1.7
563.30719	27.9
564.30762	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20121	0.3
55.01757	1.5
57.03321	4.8
58.00460	1.0
59.01250	100.0
60.01580	0.9
61.98702	2.3
67.01736	0.4
69.03322	1.0
71.01251	27.5
71.53261	0.5
72.99181	0.9
73.02818	7.6
74.72099	0.3
83.01254	4.3
85.02818	15.6
85.06475	1.1
85.99966	0.6
87.00764	1.8
87.04388	0.7
89.01767	0.7
89.02309	9.2
89.02834	0.6
95.01262	2.9
97.02850	1.6
97.06461	2.0
97.75984	0.3
99.00755	3.6
101.02322	17.1
103.03867	0.3
107.03196	0.4
108.08096	0.4
111.00768	1.7
112.01548	0.4
113.02325	16.7
114.02674	0.6
115.03943	0.5
119.03362	3.2
121.02846	0.4
124.01568	0.9
125.02302	1.7
129.01834	0.7
131.03413	0.4
132.04514	0.5
143.03401	1.6
143.10669	1.7
150.05495	0.7
152.01010	0.6
153.12764	0.4
157.12303	0.5
159.02928	2.1
161.04469	9.9
179.05537	1.0
179.14540	0.3
203.82288	0.4
269.04593	0.5
271.22873	2.3
273.15442	0.3
297.12384	0.4
299.26117	0.4
311.25919	1.3
313.42365	0.3
315.13510	0.6
323.25781	1.2
327.22617	0.3
341.27014	1.4
359.28036	5.2
360.28271	0.6
383.28046	0.4
415.26837	1.6
433.28030	10.7
434.28186	1.3
438.61862	0.3
443.29901	0.4
455.30051	0.6
462.43399	0.3
467.30051	0.5
473.31070	0.6
485.31396	2.6
503.32245	70.6
504.32584	9.1
521.33276	26.6
521.39136	0.6
522.33441	3.8
563.17743	0.8
563.27423	0.5
563.34729	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99926	0.2
55.01757	1.6
57.03323	3.6
57.93962	0.2
58.00465	1.0
59.01247	100.0
60.01590	0.7
68.99691	0.3
69.03336	0.7
69.55769	1.8
71.01250	30.7
72.99181	1.5
73.02815	6.7
75.00748	0.4
82.35679	0.3
83.01256	3.9
85.02820	15.7
85.99976	0.4
86.03166	0.3
87.00750	1.8
87.04409	0.5
89.02315	11.0
93.06990	0.4
95.01266	3.7
97.02820	1.2
99.00746	2.6
99.66512	0.2
101.02318	14.7
111.00761	1.2
111.08025	0.4
112.01546	0.4
113.02325	17.8
113.09599	0.4
114.02652	0.4
119.03375	3.4
119.04916	0.5
124.01565	1.0
125.02345	1.7
127.11217	0.7
129.01874	0.4
130.01343	0.2
131.03415	0.4
132.02733	0.3
137.09645	1.2
143.03386	2.0
149.04442	0.4
153.12770	0.7
155.10658	1.7
157.12149	1.3
158.82037	0.2
159.02888	0.7
161.04449	4.3
161.05684	0.4
168.00616	0.4
169.12328	0.3
179.05548	0.6
183.13870	0.3
185.15392	0.6
201.14899	2.4
205.05078	0.4
229.14478	0.6
229.18094	1.3
230.15157	1.0
253.09210	0.5
271.22665	0.3
297.24875	0.2
298.20877	0.3
327.21640	0.4
341.26923	1.9
347.20923	0.3
359.27979	8.5
360.28461	0.6
373.22382	1.7
383.28192	0.5
391.23352	1.6
401.29056	0.3
429.28427	0.4
433.28116	0.8
455.30145	0.7
467.30075	0.4
473.31183	0.4
485.31091	0.6
503.32230	62.8
504.32529	8.8
521.33258	23.6
522.33606	3.7
545.33337	1.3
563.17871	0.6
563.34406	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	563.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.5
57.03318	3.6
58.00470	1.3
59.01247	100.0
60.01580	0.8
61.98715	0.5
69.03326	0.9
69.32460	2.1
69.59649	0.2
71.01250	31.5
71.04849	0.3
71.37432	0.3
72.01602	0.3
72.99181	1.4
73.02818	7.5
75.00714	0.3
81.03297	0.4
83.01252	3.6
83.01717	0.3
84.02042	0.3
85.02821	14.4
85.99969	0.5
86.03167	0.2
87.00758	2.2
89.01756	0.6
89.02312	11.2
95.01247	3.8
97.02818	1.1
97.06449	0.7
99.00748	2.4
99.08032	0.3
101.02318	13.4
103.49183	0.2
111.00793	0.8
111.08031	0.4
112.01568	0.6
113.02326	18.9
113.09612	0.3
114.02682	0.6
115.03915	0.5
119.03385	3.8
119.04776	0.3
123.08083	0.9
124.01532	0.8
125.02317	1.9
127.11140	0.5
129.01814	0.3
131.03383	0.5
134.03474	0.3
137.09621	1.3
141.09108	0.6
142.02547	0.4
143.03403	2.3
143.10707	0.3
153.12723	0.4
155.10699	1.5
157.12267	0.7
159.02873	0.9
161.04453	3.5
163.73283	0.3
169.12234	0.3
171.13814	0.7
179.05490	0.3
182.19168	0.2
187.13278	0.7
199.13254	0.3
201.14868	2.4
203.12752	0.4
217.14276	0.3
222.25845	0.3
230.15164	1.0
231.15738	0.3
269.04633	0.3
280.11310	0.2
335.17218	0.3
341.26917	2.4
357.26563	0.6
359.28009	11.4
360.28299	0.7
383.27951	0.6
391.23260	0.4
401.28998	0.8
429.28473	0.4
433.27823	0.6
453.97577	0.3
455.30093	0.7
467.29810	0.6
473.31152	0.7
485.31003	0.7
503.32236	76.0
504.32538	11.2
520.21442	0.6
521.33270	31.3
522.33569	4.5
545.33386	1.7
546.33405	0.5
563.34467	2.5
564.34698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68832	1.0
55.81955	0.9
59.01238	2.3
62.72816	1.0
69.42208	7.9
71.01245	3.0
89.02320	1.4
101.17020	1.0
103.06164	1.1
123.04393	4.1
125.51559	1.0
135.04402	13.4
143.13028	0.9
149.02272	1.1
151.06363	1.7
151.07552	32.9
152.07863	0.9
163.07553	35.4
177.04066	1.3
177.05507	12.4
180.54202	1.1
185.25731	1.0
189.05438	2.3
195.06549	7.6
203.10786	2.1
206.14073	1.0
207.06557	15.9
211.09735	1.7
221.11784	2.0
223.09608	2.7
226.04848	1.3
239.12921	6.5
247.09604	1.8
265.10809	11.9
283.11832	22.8
284.12183	1.8
313.12860	3.2
320.10944	1.0
353.16037	1.1
357.18848	1.0
401.18130	100.0
402.18408	6.1
410.52704	1.1
445.94278	1.0
563.16895	0.9
563.23639	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	563.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.8
61.98698	100.0
71.01256	0.6
71.52682	0.5
78.95761	0.7
79.95568	0.6
80.96385	3.0
87.46014	0.4
139.20427	0.4
152.33885	0.4
164.98494	0.6
265.21744	2.7
354.14816	0.4
490.29318	1.1
563.25189	3.7
563.32410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86355	0.6
55.89270	0.5
59.00956	1.1
59.01248	21.0
61.98697	0.9
69.26525	5.5
71.01254	3.2
78.95764	5.9
89.02325	2.9
98.20417	1.9
101.02319	2.6
113.02339	1.2
119.03388	0.9
121.20796	0.5
136.94870	0.6
150.99997	0.5
152.99492	8.5
161.04442	1.0
171.00519	2.3
175.03902	4.2
182.65794	0.6
235.08136	1.4
245.04280	11.1
253.09244	13.6
253.21649	5.2
267.01318	0.9
267.23264	100.0
268.23572	7.9
401.23291	5.9
402.23483	1.0
447.37100	0.6
481.25668	11.7
482.26242	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	563.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47350	0.8
57.03310	2.8
58.00454	1.4
59.01250	44.4
60.01600	0.9
61.98688	1.1
69.03338	1.0
71.01250	21.6
71.52584	1.0
72.99166	2.9
73.02829	4.9
75.00740	1.4
83.01249	3.0
83.04896	2.6
85.02826	9.1
85.61423	0.8
87.00748	6.9
88.98682	1.0
89.02316	21.7
93.03313	1.8
95.01257	2.4
97.06420	2.0
99.00733	1.9
99.04366	0.9
101.02321	16.6
103.03874	0.9
107.04902	5.0
108.02035	5.2
109.02845	3.8
111.00749	2.0
112.90598	0.8
113.02316	9.1
117.03403	0.7
119.03396	8.8
119.04870	1.7
120.05690	2.3
121.02850	3.5
123.04410	1.6
125.02330	1.5
128.03407	0.9
131.03355	1.4
131.17273	0.9
133.04951	1.7
134.03622	1.0
135.04388	3.3
135.08014	0.9
137.02328	3.0
137.05946	2.5
142.98015	1.4
143.03400	1.9
149.04420	1.0
151.00282	1.7
151.03925	1.6
151.06015	11.6
152.01048	3.8
152.04695	1.2
152.60185	0.9
153.01764	1.9
158.85460	0.8
159.02930	0.8
159.08147	0.9
160.03984	1.5
161.02324	0.9
161.04404	2.9
161.09631	10.3
161.13239	3.7
163.03941	1.4
163.11147	2.6
166.57475	0.8
173.05972	1.6
175.00278	0.9
179.05466	3.6
179.10652	1.1
187.11197	13.2
189.09149	8.1
191.03455	1.0
203.10677	1.6
205.05061	1.6
205.12337	5.0
207.10234	4.3
213.09181	1.1
237.14742	2.1
241.05125	1.0
249.11284	7.6
254.05786	0.9
265.09109	1.1
267.12384	2.8
268.03690	1.8
269.04517	14.3
270.04865	0.9
284.03131	0.8
285.03937	1.6
293.04465	1.4
295.10153	2.0
311.08835	0.9
313.11365	11.6
313.14719	2.0
315.07108	1.1
326.11444	1.1
329.13919	1.5
337.06979	1.5
341.06650	0.9
341.13889	0.9
344.12531	2.4
352.09708	1.0
359.14969	3.7
371.11343	3.2
375.10910	0.9
383.11282	6.7
488.26947	0.9
497.59409	0.9
503.19119	13.5
503.25464	1.4
504.19089	1.6
504.94321	0.9
521.20325	8.2
522.20435	1.5
527.41699	1.1
545.22418	2.4
563.14825	7.5
563.23352	100.0
564.15552	1.7
564.23828	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	563.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14314	7.8
59.01249	42.4
60.83479	10.0
61.98701	100.0
75.07172	9.0
77.85752	8.1
87.64267	9.1
98.20089	45.1
149.68867	8.7
161.19261	8.7
201.11259	15.2
235.35086	8.8
263.99350	9.1
357.13635	12.5
373.00705	9.6
394.67194	10.8
395.28171	9.5
545.57715	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	563.205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99939	8.0
59.01250	31.8
59.29062	5.8
61.98701	100.0
62.42784	6.7
69.20975	51.0
69.21391	19.0
74.21163	6.1
160.51375	6.4
161.09747	6.4
308.94897	7.4
351.26083	8.0
445.29352	10.0
480.44418	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	563.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01406	1.7
55.01753	2.1
56.97912	9.8
57.03313	5.7
59.00961	2.5
59.01250	45.8
61.98692	3.9
69.03362	1.9
70.14661	7.2
71.01251	26.2
72.99166	4.2
73.02807	8.1
75.00742	1.9
81.03305	1.9
83.01249	4.5
83.04897	2.2
84.22174	1.7
85.02821	22.5
87.00760	4.5
88.98663	7.1
89.00532	5.9
89.02309	12.9
93.03342	8.1
95.01265	3.7
98.02358	2.2
98.98975	13.8
99.00751	3.0
101.02327	17.0
103.03896	3.1
106.04092	3.4
107.04869	3.5
107.13040	1.6
108.02048	62.7
109.02838	30.4
109.29922	1.7
111.00748	8.0
113.02321	12.9
119.03348	3.6
119.04916	5.4
121.02827	6.9
123.00751	3.0
123.04394	3.1
125.02302	3.8
129.01895	2.4
131.03358	2.8
135.00742	1.8
135.04436	4.4
137.02310	5.7
142.98001	25.3
143.03464	2.5
147.08049	10.7
150.03075	2.5
151.00240	4.6
151.03854	2.7
152.01047	85.7
153.01828	22.8
160.03944	6.5
160.97939	2.4
160.99043	22.5
161.04431	4.7
163.03860	4.4
165.05484	2.7
167.03409	3.4
173.09592	8.1
174.03108	4.9
177.09206	1.9
177.12802	2.3
178.99768	2.2
190.02539	2.5
191.03374	2.1
191.07092	10.9
195.13844	11.3
199.07385	2.0
205.08461	2.5
206.02028	5.3
213.01839	2.2
217.08655	4.8
241.14412	48.5
247.09563	2.9
257.00885	2.3
263.09213	3.8
265.10724	5.4
265.14407	9.0
283.10941	3.3
285.03986	2.1
287.01990	2.4
293.04608	2.7
295.09946	2.8
298.01184	2.1
299.01846	2.6
313.10898	4.1
313.14447	50.0
314.14737	4.4
315.01547	2.3
315.07230	18.5
329.13834	4.9
341.13852	4.4
344.12527	5.2
349.12762	1.9
359.15094	9.5
503.19128	22.8
519.07587	3.7
519.18152	2.1
521.20056	11.0
563.17480	100.0
563.24634	5.6
564.18127	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	563.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
56.97901	0.8
57.03312	0.6
58.00459	2.4
59.01249	41.2
60.01598	0.4
61.98696	0.7
65.56210	0.4
67.41514	0.4
69.22239	4.2
71.01250	25.8
72.71473	0.5
72.99184	3.4
73.02802	0.8
75.00715	0.6
83.01257	0.6
85.02805	3.6
87.00744	1.4
87.10833	0.4
89.00529	0.4
89.02313	23.4
93.03328	0.6
98.98997	0.6
101.02321	3.0
103.03871	0.4
113.02309	2.1
117.03346	7.5
119.03369	0.8
121.02864	0.9
121.84183	0.4
123.04386	0.7
131.01279	3.9
131.03371	0.6
134.18925	0.5
135.04460	0.5
138.01352	0.4
142.97963	0.9
149.02376	0.8
149.04430	1.0
157.49121	0.4
160.99049	0.6
161.02354	1.3
163.03889	0.6
173.02345	3.7
175.00284	13.5
176.00565	0.5
177.02065	0.5
190.02702	0.5
191.03473	0.4
221.06003	0.8
225.05441	0.4
237.05644	0.6
249.05438	0.6
251.03493	0.7
253.05037	0.8
254.05841	1.0
265.05173	0.7
268.03644	0.5
269.04535	5.4
276.04770	0.5
279.06769	0.8
281.04568	5.4
282.05374	3.8
283.06061	5.1
293.04541	100.0
294.04904	8.5
295.06018	3.2
307.05814	0.5
311.05576	9.1
312.06027	0.7
314.04330	2.2
321.04123	0.6
323.05597	6.7
325.07059	0.7
335.05566	2.1
341.06647	6.1
353.06564	1.5
383.08057	0.6
387.04953	0.4
413.08749	53.3
414.08966	4.7
431.09967	0.9
443.09900	4.2
563.14032	70.8
564.14398	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	563.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.4
58.00462	0.9
59.01246	9.8
61.98679	0.4
64.80988	0.4
69.44896	2.8
71.01247	5.0
72.99186	0.6
73.02789	0.5
83.01233	0.5
85.02830	1.4
85.39864	0.3
87.00758	0.5
89.02313	4.0
93.03323	0.5
101.02293	1.0
101.61831	0.4
103.03896	0.4
108.02053	1.1
113.02306	0.6
117.03339	11.2
117.04180	0.6
118.99680	0.4
119.04893	0.4
121.02850	0.4
123.04417	0.6
131.01266	1.9
133.02818	0.5
133.21503	0.4
149.02313	1.1
152.01025	0.4
161.02354	1.5
163.00261	0.5
163.03896	1.2
173.02353	6.2
175.00275	11.0
190.02623	1.1
191.03387	0.4
193.06422	0.6
205.04828	0.5
209.04442	0.5
209.06145	0.5
221.06108	0.5
237.05624	0.5
249.05473	1.3
265.04990	0.6
269.04489	2.2
281.04584	1.4
282.05151	0.6
283.06055	3.8
293.04529	100.0
294.04886	8.4
295.06146	0.8
298.16278	0.4
311.05524	7.3
314.04147	0.6
323.05542	1.4
335.05463	0.9
341.06564	1.0
353.08401	0.6
396.12146	0.5
413.08740	53.0
414.09122	5.0
443.09964	0.6
563.13995	20.1
563.23151	1.1
564.13940	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	562.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66505	0.3
59.01245	3.7
60.25875	0.3
61.98701	100.0
68.40869	0.5
71.01267	0.5
71.53304	0.5
73.02813	0.7
80.96402	1.7
94.97958	0.4
101.02383	0.5
121.02834	5.7
164.98579	0.6
179.03444	3.4
192.01967	0.4
211.25969	0.4
263.20181	0.5
264.20633	0.5
265.20773	0.6
442.31583	0.4
489.84799	0.4
505.11716	0.6
563.25299	2.6
580.60413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	20.6
59.66232	2.0
61.98697	13.9
67.53826	1.3
70.01640	3.4
70.02047	5.5
72.47297	1.5
78.95772	6.1
86.47832	1.4
98.19894	1.9
99.05505	3.1
102.34422	1.4
115.17236	1.5
120.04446	12.5
126.02496	1.4
140.11284	1.8
177.10243	3.7
208.34991	1.4
215.13821	1.4
231.14938	2.0
272.10016	1.4
279.23215	3.2
279.92810	1.5
280.23654	9.7
352.20276	100.0
353.20490	7.6
374.23492	1.5
477.28055	5.7
502.30765	14.2
503.31470	2.6
562.25299	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1041
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.01777	2.5
57.03314	6.7
59.01250	100.0
61.98691	2.3
69.17351	20.2
69.17757	5.2
71.01255	35.5
73.02814	12.5
75.00744	2.8
83.01292	5.0
85.02813	16.9
87.00729	3.3
88.98663	2.3
89.02307	16.8
93.03325	2.4
93.06959	3.7
95.01219	3.5
99.00757	2.5
101.02330	21.6
103.03909	2.2
108.02032	10.1
109.02795	6.1
112.42413	2.0
113.02338	18.2
117.03341	4.6
119.03371	8.9
121.02858	4.4
125.02274	3.2
137.05959	6.1
143.03394	3.0
147.04362	2.3
151.00296	3.3
152.01035	7.8
153.01842	2.7
161.04442	8.8
161.13293	3.4
175.00250	3.0
187.11169	6.3
199.03957	3.2
205.04974	2.8
227.03462	3.0
229.18037	3.5
243.02939	8.6
255.02936	9.8
268.03619	2.5
269.04346	3.8
271.02444	14.6
272.02911	3.5
283.06030	3.7
293.04547	26.9
299.01910	25.8
300.02664	13.0
308.13177	2.2
311.05527	6.8
314.04404	24.1
315.05014	44.5
373.22232	2.9
391.23315	6.7
408.57629	2.3
413.08804	12.7
503.32184	43.4
519.11530	16.8
521.33441	17.5
549.12323	2.3
563.14703	10.9
563.23431	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	3.4
61.98700	100.0
62.48407	0.6
78.95784	2.3
96.95848	0.6
97.56860	0.5
98.19784	1.2
158.61166	0.5
199.13487	0.6
212.16565	0.5
309.04147	0.6
365.26932	1.7
424.61133	0.7
562.31738	1.4
573.14270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54528	0.2
59.01250	1.4
61.98700	100.0
67.46920	0.2
71.01253	0.3
71.52338	0.2
79.81702	0.2
80.61401	0.2
85.02863	0.2
94.20845	0.2
121.02888	0.2
122.06499	0.2
123.67719	0.2
201.11371	0.2
241.49495	0.2
386.61026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	3.4
61.98700	100.0
62.48407	0.6
78.95784	2.3
96.95848	0.6
97.56860	0.5
98.19784	1.2
158.61166	0.5
199.13487	0.6
212.16565	0.5
309.04147	0.6
365.26932	1.7
424.61133	0.7
562.31738	1.4
573.14270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	15.7
61.98700	100.0
71.01260	1.5
73.02816	0.9
88.98672	1.3
103.03900	0.6
111.04409	0.6
119.04943	1.0
149.05971	0.7
149.32545	0.7
173.05971	0.9
211.13422	0.6
217.05016	4.5
337.10699	0.8
359.08951	4.3
445.29666	2.3
484.20694	1.1
503.34253	1.8
504.30963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.4
57.03316	2.8
58.00463	1.2
59.01249	100.0
60.01588	0.9
61.98709	1.3
64.47527	0.3
65.96374	0.3
67.01750	0.3
69.03317	0.9
69.37830	1.4
69.38263	1.7
71.01252	33.5
71.04887	0.6
72.01618	0.5
72.99170	2.0
73.02823	8.0
75.00765	0.5
81.03346	0.6
83.01259	4.1
84.02080	0.6
85.02823	12.4
85.99973	0.9
87.00735	2.9
87.01145	0.3
87.04403	0.8
89.02316	15.2
90.69664	0.3
93.03347	0.7
95.01260	4.4
95.04908	0.4
97.02856	1.3
97.21467	0.3
99.00756	2.3
99.04408	0.9
101.02321	17.4
108.02074	1.0
109.02930	0.4
111.00791	1.6
112.01624	0.5
113.02328	18.5
119.03384	5.8
119.04919	1.4
121.02853	0.6
121.10140	0.4
123.04446	0.6
124.01567	0.6
125.02326	1.8
125.05938	0.5
129.01836	0.4
131.03415	0.5
133.06508	0.8
139.11200	0.5
143.03377	2.7
145.02847	0.4
146.02397	0.5
149.02354	0.9
149.04514	0.4
151.00267	0.5
152.01099	0.7
157.12247	1.5
159.02866	0.9
160.03970	0.4
161.04475	4.7
163.04060	0.4
164.03438	0.8
164.04681	0.5
165.01923	0.5
165.10541	0.3
173.04457	0.5
175.00346	0.7
175.03938	0.4
178.99611	0.4
179.05557	1.3
181.12080	0.4
186.12495	0.4
190.02681	0.9
191.03183	0.5
199.13348	0.4
201.14861	0.6
205.04982	1.0
223.06076	0.6
242.02292	0.4
253.05040	1.4
268.03839	1.0
269.04703	2.2
271.06140	0.4
295.13757	0.5
303.23157	0.4
309.24280	0.5
315.07538	0.4
321.24405	0.8
330.16818	0.8
339.25351	2.4
344.18661	0.4
355.11636	0.5
356.12430	0.4
357.12808	0.8
357.26428	5.3
362.19293	0.5
429.24545	0.5
453.28632	0.7
465.28461	1.2
471.29639	0.6
483.29712	3.6
484.30310	0.4
501.30676	70.3
502.30978	8.7
517.20947	0.9
519.31726	19.4
520.32092	3.1
543.32117	0.9
561.20642	2.1
561.33075	3.1
562.33447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3427
Annotation	Amphidinolide B
Peak:m/z	Relative Intensity
52.84813	0.2
52.96609	0.2
55.01760	0.3
56.14397	0.2
57.03326	2.3
58.88659	0.2
59.01250	1.5
61.98690	0.5
62.94249	0.2
69.03323	1.9
69.48174	2.0
71.01246	0.8
71.04893	0.6
73.02798	0.6
76.88551	0.3
81.03341	0.7
83.04884	2.0
84.33334	0.2
85.06444	2.1
87.04395	1.5
90.38699	0.2
95.04895	0.7
97.06427	0.6
98.19793	0.4
101.05966	0.4
107.04891	0.4
109.06452	0.4
111.08022	0.3
113.05974	0.6
121.06504	0.4
123.04449	0.3
138.06764	0.5
164.66891	0.3
177.12762	0.3
187.11140	0.5
189.12656	0.4
234.31049	0.3
285.22153	1.0
301.21741	0.6
303.23386	2.7
304.23615	0.4
315.23242	0.4
323.23969	0.4
329.24948	0.5
331.22461	0.4
341.24890	0.6
345.20590	2.4
346.20978	0.3
347.22437	0.5
359.22006	0.6
381.27853	0.8
384.26843	0.4
385.23700	0.6
399.28830	0.9
403.24832	8.6
404.25192	0.9
417.26230	0.3
443.27747	1.6
461.28992	3.3
462.29379	0.3
501.32147	5.1
502.32425	1.0
503.34445	1.4
510.08838	0.3
519.33228	12.2
520.33575	2.2
561.34253	100.0
562.34631	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	561.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	17.3
61.98701	15.6
66.52523	1.4
71.01255	3.2
71.52866	2.2
78.95773	51.1
80.57899	1.0
89.02312	2.4
96.95880	1.3
96.96843	3.5
101.02317	3.5
113.02306	1.5
120.82109	1.2
152.99483	10.3
161.04428	1.8
171.00540	9.5
174.03093	3.1
175.03604	4.5
203.05945	1.4
206.02112	3.7
207.02596	3.8
229.08667	21.6
230.09007	20.9
231.09244	8.8
235.08215	1.9
253.09247	13.4
265.21704	100.0
266.22006	8.1
299.76028	1.7
360.34015	1.3
370.13065	1.4
476.27762	31.4
477.28165	4.6
483.96857	1.5
561.23944	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	561.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.5
57.03325	4.3
58.00459	1.7
59.01248	100.0
60.01182	0.5
60.01570	0.9
61.98703	2.6
69.03321	0.5
71.01250	33.6
71.28198	0.4
71.52642	0.8
72.99184	1.9
73.02817	9.5
81.03316	0.5
83.01253	5.0
83.04907	0.9
85.02819	13.9
85.06473	1.2
87.00741	3.9
87.04388	1.1
89.02312	14.9
93.03342	0.7
93.06962	0.6
95.01247	3.6
95.04890	0.7
97.02841	0.8
97.06477	0.6
99.00745	2.7
101.02319	18.6
108.25335	0.5
109.02880	0.5
111.00768	1.6
112.01563	0.6
113.02322	18.1
114.02664	0.6
119.03376	5.8
119.04885	0.9
121.02835	3.3
125.02323	1.7
131.03429	0.6
132.02069	0.7
134.03601	0.7
135.04419	0.7
137.02373	1.2
137.09608	0.5
139.11163	0.5
142.25481	0.4
143.03395	2.6
143.10655	2.6
149.02356	0.7
149.04486	0.8
149.09651	0.5
151.00293	0.5
151.11192	0.9
157.12270	1.1
159.02882	1.1
160.01593	2.1
161.02374	0.6
161.04471	5.9
163.03906	1.1
164.73375	0.4
165.05511	0.5
167.03368	0.7
169.12279	0.8
175.03867	2.5
179.05531	1.7
179.07056	0.5
187.13373	0.6
190.02725	0.9
191.03458	0.6
193.04971	0.9
195.13731	0.6
205.04936	0.7
239.12686	1.1
240.02963	0.9
241.03790	0.8
256.06131	0.6
269.04443	1.6
270.04807	0.7
321.24237	0.9
339.25375	7.7
340.25812	0.6
344.18671	0.6
348.17831	1.0
351.14575	0.6
357.26437	6.0
362.19461	1.7
367.10446	0.9
399.23712	0.5
418.11365	0.8
453.29108	0.6
465.28458	1.4
473.21838	0.8
475.19925	0.8
483.29694	2.9
501.30667	63.8
502.30966	8.3
517.21295	1.8
519.31720	21.1
520.31744	2.8
543.31793	1.6
561.15448	0.7
561.33447	4.8
562.32544	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3062
Annotation	Taiwanxan
Peak:m/z	Relative Intensity
56.36203	0.1
57.03320	3.1
58.00469	0.2
59.01247	100.0
60.01590	0.9
61.98709	0.5
69.03319	1.3
69.48493	0.3
69.48925	0.4
71.01247	1.7
71.04920	0.1
72.99208	0.1
73.02814	8.4
75.00735	2.4
81.03320	0.5
82.24429	0.1
83.01241	0.1
83.04890	2.4
84.01987	0.1
85.02839	0.4
87.00741	0.2
87.04391	0.3
93.03342	0.3
95.04878	0.7
97.02821	0.6
97.06477	0.2
99.00703	0.1
99.04385	0.2
101.06002	0.1
106.88306	0.1
109.02953	0.1
109.06472	0.2
111.04415	0.1
113.02352	0.1
113.05959	2.5
115.03910	0.3
117.05463	1.8
119.04914	0.1
119.08569	0.1
120.30026	0.1
123.08040	1.6
125.09605	0.2
127.07518	0.2
133.10107	0.7
135.08017	0.1
137.05956	0.3
141.09088	0.4
147.11717	0.1
149.09637	0.1
151.11177	0.5
163.11125	0.2
171.10175	0.3
175.11108	0.1
177.12715	0.1
179.99347	0.1
180.12540	0.1
189.12794	0.2
191.14423	0.2
195.10225	0.1
203.14384	0.3
215.14427	0.1
227.14600	0.1
229.15912	0.6
233.15381	0.3
233.19101	0.2
243.17502	0.3
245.15421	0.1
253.09541	0.1
255.17390	0.2
257.19052	0.2
261.18634	0.4
261.21448	0.1
263.16425	0.2
271.20627	0.2
273.18710	0.1
285.18649	0.4
287.20306	0.1
289.18271	0.2
289.21674	0.3
299.20197	0.5
301.21756	0.2
303.19724	0.5
303.22800	0.1
311.20313	0.2
311.23666	0.2
315.23157	0.4
317.21243	0.7
319.22705	0.2
321.20746	0.4
325.21625	0.1
327.23166	0.1
328.19653	0.1
329.21191	0.8
329.24921	0.4
331.22961	0.1
331.26614	0.1
334.65735	0.1
341.21088	0.2
341.24863	0.2
343.22565	0.1
345.20639	0.2
347.22192	0.3
347.25958	0.3
357.24237	0.5
359.22202	0.4
359.25967	0.4
360.22461	0.1
361.23871	0.3
369.24414	0.3
371.25937	0.2
375.25601	0.7
376.25912	0.1
377.23218	2.0
378.23758	0.2
381.24475	0.1
387.25662	0.7
389.26938	0.3
399.25470	0.7
401.23029	0.1
403.24884	1.1
405.26563	0.5
407.28033	0.8
415.28409	0.2
417.26456	2.0
418.26871	0.2
419.24316	0.3
423.25980	0.1
429.26425	0.4
431.28351	0.2
435.27466	7.9
436.27756	1.0
441.26419	0.4
443.28226	0.2
445.25946	0.9
446.26010	0.1
449.29343	0.5
450.29382	0.1
459.27469	3.5
460.27975	0.6
461.25269	0.3
461.30313	0.1
471.27625	0.3
477.28528	39.5
478.28842	5.5
483.27109	0.1
491.30133	0.2
501.28540	2.3
502.28989	0.4
503.30310	0.6
513.28656	0.3
519.29578	11.8
520.29816	1.6
529.30145	0.1
543.29083	0.2
561.30682	6.4
562.31018	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01587	1.1
61.98690	5.1
68.99699	0.9
71.21520	1.6
73.02818	1.3
79.01753	1.5
85.02787	0.7
93.03312	1.5
95.01278	0.8
109.02825	0.8
111.04414	5.0
119.04877	1.0
123.04429	1.2
133.06522	2.4
135.04416	0.8
149.06007	1.1
157.06483	0.9
159.08032	1.3
171.07988	1.0
175.07712	0.7
176.08391	1.3
187.07565	1.5
189.09279	0.8
191.10715	1.0
199.11382	1.5
215.10751	2.5
232.11069	1.1
242.00456	0.6
247.13432	1.8
249.13063	0.6
253.12419	2.1
257.11917	0.9
277.12433	2.2
291.14029	1.2
297.11502	1.6
309.14975	2.7
321.11298	1.2
321.14990	1.1
325.14462	1.0
353.13953	2.5
365.17816	1.4
369.17313	0.8
379.14972	0.8
381.17114	1.5
383.18530	6.4
403.15829	1.4
421.20129	3.5
427.17505	9.4
427.22418	0.9
428.18091	1.9
435.18243	1.5
439.21130	13.8
440.21588	1.5
483.20184	20.2
484.20868	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	561.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74837	1.2
54.80442	1.2
57.03310	2.8
57.16743	1.2
57.97430	1.7
59.01248	100.0
60.01575	1.9
61.98692	4.7
69.03297	1.8
70.53800	1.3
71.01250	20.9
71.52791	2.3
72.99179	2.1
73.02814	11.8
81.03317	1.4
83.01264	3.7
83.04888	2.0
85.02825	8.9
87.00752	3.4
88.98688	2.5
89.02329	7.7
89.69844	1.3
89.88320	1.5
93.03319	1.6
95.01258	3.0
97.02838	1.8
99.00767	2.1
101.02317	14.2
108.02032	2.4
109.02871	1.6
111.00741	1.7
113.02325	9.2
119.03365	2.6
119.04929	4.1
121.02838	2.0
123.04408	2.7
125.02323	1.4
137.02336	2.3
137.05952	1.3
140.89018	1.4
141.09039	1.5
143.03409	1.9
145.02788	3.0
149.02339	4.2
151.00323	1.5
152.01041	2.7
159.03033	2.0
159.04401	2.2
161.04475	3.8
163.03903	1.7
167.03397	6.2
167.19667	1.3
171.10202	8.0
173.02319	2.0
174.03105	11.5
190.02632	1.5
191.03391	2.4
193.04993	2.1
201.11295	2.2
206.02095	9.6
215.12778	3.0
269.04565	2.6
289.14197	1.4
295.13422	3.1
297.14957	19.9
298.15497	1.9
313.14548	5.7
346.48215	1.6
356.12085	1.7
357.26227	2.9
400.57132	1.5
436.14932	1.5
457.18491	3.8
473.21729	2.6
475.19595	18.4
476.19992	2.4
483.29678	2.3
501.30624	18.3
517.20728	82.6
518.20972	11.4
519.31757	7.3
561.19489	5.2
561.26025	1.3
561.32959	20.3
562.20825	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	561.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30807	0.9
54.97852	1.1
57.03315	4.9
58.00454	1.4
59.01247	18.6
61.74785	1.2
69.56109	8.6
71.01250	16.6
72.99175	2.2
73.02821	2.7
77.77298	1.0
80.96378	1.5
85.02824	19.7
87.00743	1.4
89.02319	11.0
98.19892	1.6
99.04368	1.3
101.02321	10.3
103.03889	32.4
106.04099	3.3
107.04906	6.9
108.02048	2.2
113.02290	5.8
118.40722	1.1
119.03387	4.9
121.02847	13.5
123.04421	3.2
129.15289	1.1
132.02098	1.5
133.02837	8.5
151.03915	7.9
152.21442	1.1
161.04436	2.4
165.05505	7.1
175.03883	6.3
193.04982	13.1
203.07011	1.2
205.04976	1.8
247.08212	1.4
265.06464	2.1
265.09253	36.0
266.09714	2.1
274.64572	1.1
281.13992	1.3
309.87839	1.1
368.02090	1.3
381.11813	1.9
399.07996	1.7
399.12903	20.0
399.17630	1.9
400.13470	1.6
471.11273	2.1
543.16968	2.4
561.18225	100.0
562.18634	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	561.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63754	1.5
55.01752	3.1
57.03310	5.3
59.01249	100.0
61.98686	5.1
62.35725	1.7
70.37833	7.0
71.01247	31.3
72.99183	2.9
73.02818	19.0
83.01257	7.2
85.02806	9.5
87.00763	2.0
89.02330	11.6
95.01247	1.9
97.02788	1.7
99.00714	1.6
101.02314	18.1
104.04891	2.0
106.06482	8.0
108.08062	13.1
113.02328	9.7
118.06515	2.1
119.03391	5.3
119.04908	2.6
125.02285	2.0
139.55019	1.6
143.03387	2.1
148.03946	34.9
149.04317	2.1
152.07033	7.7
159.68968	1.8
160.03929	30.2
161.04716	25.6
162.05460	4.6
171.10159	2.8
183.01138	2.4
192.02902	3.1
193.03748	11.3
197.02765	4.1
240.10333	2.4
242.11981	1.9
247.27586	1.8
253.09315	2.0
269.04413	2.0
269.12915	49.5
270.13275	5.0
284.03375	2.5
295.10861	52.7
295.14017	3.7
296.11035	4.5
313.11902	38.7
314.12155	2.5
325.20294	2.3
355.12921	7.6
357.26334	3.0
397.23642	3.1
458.33820	1.8
475.17294	3.1
483.29498	2.0
501.24768	1.8
501.30792	18.5
517.18170	88.6
518.18542	10.6
519.31567	7.8
561.18878	7.6
561.32300	10.1
562.22217	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	560.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19852	1.1
51.80556	1.2
59.01248	20.8
61.98701	13.9
65.04437	1.2
69.24699	11.3
71.78061	1.3
78.95776	3.3
98.20573	2.3
99.05506	5.3
120.04427	14.2
142.34505	1.2
147.08034	3.7
151.41626	1.0
174.09119	1.1
174.12845	1.3
177.10242	3.4
181.26024	1.2
231.14938	2.8
274.15707	2.2
352.20276	100.0
353.20596	9.0
370.72336	1.2
446.29279	1.3
500.29019	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	559.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57585	1.1
57.03304	3.4
59.01246	100.0
61.98700	10.3
67.01743	4.7
69.03307	4.2
71.01258	9.0
73.02811	31.0
75.00733	5.0
83.01247	1.5
83.04881	4.0
85.02807	4.3
87.00732	1.7
87.04371	8.0
89.02308	2.2
93.03328	2.4
95.04892	1.3
96.52129	1.0
97.02806	2.5
101.02300	2.1
101.05949	5.7
107.04877	1.7
108.01988	1.2
111.00749	5.7
111.04404	1.1
112.90437	1.0
116.44152	1.1
117.05450	4.9
119.04894	1.4
125.09602	1.9
133.10175	1.9
135.04407	1.1
135.08026	2.6
137.05997	2.2
140.29399	1.1
149.09630	2.0
151.00217	1.6
151.11176	28.5
152.11394	1.9
209.11821	1.5
225.11215	1.7
242.28642	1.2
269.04462	1.8
309.24429	1.2
311.25681	1.3
337.25168	1.5
355.26462	5.4
357.28094	1.2
367.26477	2.5
381.24185	2.5
385.23599	9.1
386.24310	2.1
399.25244	9.0
411.25186	2.1
415.28464	1.6
423.25040	1.3
427.24881	12.5
428.25067	1.9
429.26563	4.2
431.27829	2.9
441.26392	11.5
446.26273	1.0
459.20956	2.7
459.27451	59.6
460.28064	7.6
483.27515	3.0
501.28528	83.1
502.28989	12.7
515.22211	9.4
516.23444	1.7
527.28729	2.0
559.23230	1.3
559.35278	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	559.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60529	0.5
59.00956	1.0
59.01247	16.3
61.98696	1.9
69.67676	0.4
71.01239	4.3
71.52796	0.6
72.99169	0.6
73.02822	1.2
83.01268	0.6
85.02807	1.4
87.00728	0.6
89.02307	3.2
98.20185	0.6
101.02320	3.9
101.05949	1.5
102.94072	0.5
113.02305	2.1
119.03391	1.2
125.02350	0.6
133.04948	0.7
139.86812	0.5
161.04451	1.4
179.05556	0.7
229.08661	0.7
235.08189	1.9
253.09265	12.7
254.09731	0.5
263.20135	100.0
264.20486	9.1
287.91483	0.5
319.40051	0.5
419.09839	0.6
560.32526	0.9
572.21875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.291
Annotation	Casearlucin C
Peak:m/z	Relative Intensity
51.90557	0.2
52.72713	0.2
52.92428	0.2
57.03315	0.4
59.01248	100.0
60.01585	1.1
61.98709	0.7
67.01753	1.3
68.99693	0.3
69.03317	0.5
69.41949	1.4
71.01261	1.2
71.04900	0.3
72.99181	5.9
72.99587	0.3
73.02817	4.2
81.03316	0.3
83.01234	0.3
83.04894	3.1
85.02828	0.4
87.00777	0.4
87.04388	1.2
89.02298	0.2
94.96057	0.2
95.04910	0.3
97.02844	0.3
97.06507	0.2
101.02349	0.6
101.05972	1.1
104.97192	0.2
107.04935	0.3
111.00771	0.3
113.02331	0.5
119.03432	0.2
119.04929	0.2
133.10162	0.5
135.08052	0.5
137.06030	0.2
151.11189	5.8
190.35497	0.2
197.12050	0.2
254.04156	0.2
261.14911	0.2
268.03845	0.2
297.22202	0.2
347.18729	0.3
359.22266	0.6
371.18283	0.2
383.21390	0.2
395.25735	0.5
411.25397	0.8
413.26859	2.8
414.27307	0.5
415.21454	0.2
429.26535	0.7
439.24808	2.0
440.25244	0.3
445.22208	0.3
457.25894	2.8
458.26349	0.3
459.19781	0.2
471.24112	0.5
481.25916	0.7
499.26993	25.5
500.27353	4.0
515.22687	2.0
516.23242	0.3
517.28107	3.1
518.28864	0.5
559.30127	4.6
560.29663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67378	0.2
59.01238	0.8
61.98691	0.4
63.98911	0.2
70.13360	0.9
71.01220	0.2
73.41270	0.2
77.77300	0.2
78.95757	1.3
81.03341	0.2
81.77679	0.2
83.04888	0.2
107.04906	0.3
108.02020	0.3
130.04100	0.7
133.02832	0.3
145.02855	4.0
146.03601	1.1
147.04462	0.2
152.99396	0.3
159.04407	0.5
161.02324	0.5
173.02322	2.0
173.05983	0.5
174.03134	18.7
175.03751	1.5
178.02673	1.4
183.08113	0.4
185.02393	0.4
187.03949	0.4
187.07523	0.3
189.09137	0.4
199.07674	0.3
201.05504	4.0
201.09151	1.0
203.10684	0.3
206.02136	17.6
207.02464	0.7
214.06326	0.4
227.07083	3.3
228.07352	0.4
229.08647	100.0
230.08987	6.2
245.08157	5.2
274.78995	0.3
277.21753	1.6
279.23154	0.4
280.23605	0.3
296.07843	0.2
313.14471	0.4
337.47150	0.2
351.08725	0.3
457.16452	0.5
475.17392	0.7
476.16379	0.3
477.28043	1.1
559.23309	9.1
560.23950	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	559.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02245	0.2
51.90982	0.2
59.01247	0.7
61.98700	0.5
69.92037	0.2
70.90521	0.2
71.01249	0.2
76.66076	0.3
78.95763	1.1
81.03330	0.4
83.04948	0.2
88.52401	0.3
107.04909	0.3
108.02071	0.3
120.41180	0.2
130.04083	0.4
133.02847	0.3
133.14322	0.2
137.70987	0.2
145.02844	3.6
146.03619	1.2
161.02316	0.4
167.66747	0.2
173.02347	2.1
173.06058	0.3
174.03127	18.8
175.03833	1.5
178.02676	1.6
183.08163	0.2
187.03859	0.3
187.07527	0.3
189.09198	0.4
201.05513	4.1
201.09106	1.2
206.02136	15.4
207.02461	0.6
214.06310	0.3
227.07086	3.5
228.07611	0.4
229.08641	100.0
230.06737	0.4
230.08989	6.2
245.08124	4.5
246.08362	0.3
277.21716	1.4
280.37927	0.3
280.68365	0.2
313.14545	0.5
457.16418	0.6
475.17468	0.8
477.28162	0.6
559.23297	10.0
560.23804	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	559.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54797	0.8
55.01740	1.3
57.03310	1.4
59.00953	1.5
59.01246	29.8
61.98693	4.2
67.01756	45.0
68.99684	9.2
69.03335	1.2
71.01255	4.5
71.04874	2.9
73.02818	100.0
73.77453	0.7
74.03150	1.6
81.03335	1.5
82.43769	0.8
83.01232	3.5
83.04887	3.3
84.01991	0.8
85.02814	3.1
87.00790	1.0
89.02302	0.7
93.03313	0.9
95.04880	1.2
97.02812	2.0
97.06458	1.5
98.20578	1.9
99.00736	4.7
99.04372	3.1
101.02296	2.3
101.05947	1.1
107.04926	1.5
109.06478	1.7
111.00758	12.7
111.04378	3.0
113.02320	1.2
123.04465	1.5
123.08025	0.9
125.05932	1.9
125.09589	2.0
135.04408	1.6
135.08055	1.4
137.09618	0.9
147.04396	1.2
148.12488	0.9
163.11215	4.9
181.12265	9.4
199.13249	2.5
202.35922	0.9
207.10170	6.8
209.11765	14.9
223.01515	0.8
225.11240	16.5
225.13304	1.2
227.12790	3.1
243.12315	8.2
248.49077	0.8
253.09265	0.8
263.10837	1.0
269.04630	1.0
269.15454	2.2
279.13846	1.8
283.17267	1.0
295.17075	1.2
297.15018	0.9
299.15036	1.9
313.14484	2.0
313.17981	1.3
313.39484	0.8
317.15973	5.9
323.22302	1.0
327.16071	1.0
347.18533	3.7
369.20639	1.2
371.18539	4.1
389.19592	1.4
397.20166	1.8
399.18243	1.0
403.21146	1.6
415.21182	8.7
416.21478	1.3
431.20801	1.7
445.22040	3.1
459.20459	7.8
471.23941	12.1
472.24246	1.9
509.27725	1.3
515.22815	84.5
516.23108	11.0
527.21796	1.6
527.28735	17.9
528.29175	1.4
559.21790	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	559.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81881	4.2
56.07064	3.6
59.01248	54.0
61.98699	100.0
68.92941	3.8
69.30083	21.5
69.30508	17.8
70.47518	4.7
71.01265	6.2
82.38031	3.8
85.02842	4.6
86.49135	4.2
87.04420	4.6
95.04935	5.1
101.05907	5.4
124.63464	4.3
188.20268	4.6
193.15273	3.9
209.11656	4.8
248.84770	4.0
293.18005	4.5
401.23422	10.3
559.33398	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	559.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07394	1.5
55.01741	1.9
57.03320	3.9
59.01250	46.6
61.98701	5.4
65.00190	1.4
67.01761	45.2
68.99683	10.2
69.03341	2.3
69.86263	2.2
69.86655	6.6
71.01258	8.5
71.04888	2.3
73.02819	95.9
74.03149	1.6
80.02573	1.3
81.03314	1.8
83.01246	5.7
83.04886	3.7
83.91924	1.2
83.98991	3.1
85.02805	6.3
87.00780	1.8
87.04392	1.8
89.02309	3.1
93.03321	2.1
95.04887	1.6
96.95884	1.4
97.02819	3.8
97.06446	2.6
99.00751	7.1
99.04373	3.0
101.02309	6.1
101.05921	1.4
107.04830	1.2
109.06478	3.0
110.03606	1.6
111.00758	24.6
111.04399	7.3
113.02318	3.7
119.04923	2.1
121.06493	1.4
123.00755	1.8
123.04376	2.4
123.08002	1.9
125.02330	1.7
125.09615	4.5
135.04399	1.9
135.08067	1.5
137.02373	2.1
138.03061	2.1
139.03862	2.9
151.03876	2.2
151.67239	1.4
161.05977	1.3
163.11192	7.7
165.12747	1.5
171.10147	1.4
181.12236	18.6
197.11697	1.4
199.13295	3.8
207.10188	11.5
209.11772	25.7
210.12094	2.3
225.11263	22.2
227.12790	4.9
231.25288	1.3
243.12315	15.0
246.73203	1.2
257.15442	1.4
263.10678	3.2
268.03613	2.0
269.04614	1.7
279.13895	2.7
295.13388	1.4
295.16885	2.8
299.15027	3.8
311.16574	1.3
313.14645	1.7
313.18005	2.0
317.16077	9.3
340.13687	2.7
347.18686	2.7
369.20587	1.3
371.18515	4.6
378.55414	1.5
385.20145	1.4
389.19699	1.6
399.17874	2.9
415.21188	8.3
431.20673	4.2
459.20197	19.3
471.24026	9.5
472.24286	1.5
480.08182	1.6
487.23196	3.4
499.28598	2.3
515.22797	100.0
516.23322	14.5
527.22913	3.0
527.28821	27.8
528.28857	1.9
559.21808	12.4
559.30774	5.0
560.20087	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	559.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	0.9
57.03315	1.6
59.01249	37.4
61.98706	1.2
65.00185	6.9
68.81937	0.5
68.99683	0.6
69.03337	1.3
71.01251	15.7
72.99187	1.1
73.02820	14.5
75.00690	0.6
77.03844	2.5
78.14096	0.5
79.01769	6.3
79.05388	1.0
81.03342	0.6
83.01252	7.4
85.02810	3.9
87.00748	1.0
89.02316	4.2
93.03326	10.3
93.29505	0.6
95.01263	1.2
95.04890	1.3
97.02828	2.2
99.00733	0.6
99.04378	0.7
101.02321	13.0
103.03905	0.7
103.05413	0.7
105.06942	1.1
105.11483	0.6
107.01257	2.2
107.04910	2.2
108.02054	3.6
109.02834	1.8
110.03567	0.7
111.00777	1.1
113.02314	5.4
116.59703	0.6
117.03386	1.0
117.43940	0.6
119.03522	1.4
119.04913	53.9
120.05264	2.1
121.02840	7.6
123.00757	0.8
123.04390	0.7
123.08060	1.1
125.02336	2.2
125.05965	10.3
129.07031	0.9
131.04921	1.6
135.00769	2.6
135.04384	1.2
136.01556	15.4
137.02290	2.1
143.03458	1.4
143.04900	2.0
143.44449	0.7
145.02855	2.8
146.02379	5.8
147.02701	1.6
147.04398	0.9
149.02388	1.7
149.05965	7.7
150.03146	2.0
151.00224	0.7
153.01833	0.7
161.04446	2.2
161.05984	1.7
163.00276	10.6
164.01064	5.2
164.03416	0.7
165.01839	14.8
165.05464	1.0
167.07082	4.4
173.05948	3.5
175.03941	1.3
177.01854	1.2
178.02654	1.8
179.03424	2.3
179.05551	1.3
183.02867	0.9
185.06001	2.3
187.03908	2.4
189.05467	0.6
190.02777	0.7
190.04878	1.1
191.03444	3.7
191.07065	3.3
193.04984	3.1
193.06537	1.0
203.07120	3.3
209.08107	1.5
210.01691	1.6
217.05009	19.0
218.05202	0.8
226.06200	0.6
231.06558	1.2
235.06065	21.8
236.06372	1.3
241.08585	2.6
243.06509	0.8
249.07605	1.0
250.11572	0.6
255.06749	0.8
261.07721	1.5
267.34189	0.6
268.03812	1.4
269.04568	1.4
283.06116	4.2
284.06781	1.4
285.07681	8.9
290.41785	0.6
308.13290	0.6
311.12927	2.4
337.10785	37.3
337.23813	1.2
338.11087	3.4
355.11841	100.0
356.12137	9.7
358.05060	0.7
364.25800	0.6
499.29044	4.9
517.30103	2.3
559.18152	98.2
559.30426	3.0
560.18549	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.9
57.03321	2.3
58.00459	1.3
59.01246	100.0
60.01577	1.7
61.98706	3.9
63.25277	0.7
65.00179	4.2
66.99879	0.8
67.01763	0.8
68.99691	1.0
69.03325	1.9
71.01249	33.3
71.04906	0.8
72.99191	2.7
73.02816	24.9
75.00736	1.5
78.95758	0.8
79.05376	1.1
83.01253	8.7
83.04875	0.9
85.02819	10.8
87.00764	2.0
89.02313	9.3
93.03340	7.8
95.01270	2.0
95.04916	0.7
96.95895	3.2
97.02833	1.7
97.06530	0.8
98.20577	1.5
99.00788	2.1
101.02319	24.2
101.05975	2.8
102.02660	0.8
103.03871	1.4
103.05424	1.6
107.04922	2.3
108.02079	2.1
111.00785	2.9
113.02322	13.8
117.03414	0.7
117.94775	0.7
119.03532	3.3
119.04913	28.9
120.05254	1.3
121.02838	1.7
122.03613	0.8
125.02351	2.4
127.07548	0.7
129.67741	0.7
131.03333	1.5
131.04921	1.3
133.06520	1.0
134.03546	0.7
134.84846	0.6
135.04410	3.8
137.02364	3.8
143.03418	3.2
145.06535	0.8
147.04362	1.0
149.02396	0.8
149.04498	1.1
149.06038	2.8
152.01064	2.9
152.61603	0.7
153.01900	0.8
155.03429	0.8
155.10742	0.9
160.04074	1.1
161.04478	5.7
163.03986	1.5
173.06003	4.7
175.03934	1.1
179.05557	1.5
179.07089	1.0
189.05501	0.9
190.02628	0.9
191.07109	0.9
199.13429	0.9
205.04971	1.7
217.04987	20.8
219.06618	2.7
229.70911	0.8
231.06688	0.9
235.06136	1.0
265.09433	2.0
268.03784	4.1
269.04575	3.4
337.10770	50.6
337.23792	1.0
338.11115	4.1
355.11865	4.2
373.02689	0.9
439.12448	1.3
466.11935	1.1
499.29065	16.0
517.30170	5.2
523.21948	1.5
541.30762	0.9
559.18225	25.9
559.31409	15.4
560.17700	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	559.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31454	0.3
55.01768	0.4
57.03312	0.7
59.01247	14.0
60.01586	0.3
61.98691	1.0
65.00190	3.4
67.01769	0.4
68.99681	0.5
69.03316	0.4
69.43684	0.5
69.44096	1.7
71.01254	3.5
72.99191	0.5
73.02816	3.1
76.45650	0.2
79.01762	2.0
79.05397	0.4
81.06951	0.3
83.01266	2.4
83.04886	0.3
85.02818	1.9
87.00741	0.4
89.02320	1.7
93.03338	5.2
95.01272	0.7
95.04895	0.8
96.95869	0.3
97.02834	0.6
97.06438	0.4
99.00748	0.3
101.02307	2.5
103.03866	0.7
103.05374	0.4
105.06955	0.4
107.01284	1.0
107.04902	1.0
107.37555	0.3
108.02058	1.0
109.02831	0.4
110.03622	0.7
111.00774	0.8
113.02325	2.4
115.35268	0.3
117.03345	0.5
119.04909	35.7
120.05244	1.2
121.02830	3.5
121.06473	0.3
123.00771	1.3
123.04391	0.4
123.07955	0.6
124.01516	0.4
125.02339	0.6
125.05972	6.8
129.05464	0.4
131.04924	0.9
135.00778	1.6
135.04411	1.0
136.01552	4.7
137.02354	2.6
139.03938	0.3
141.83545	0.2
143.04921	1.1
145.02840	1.7
147.04459	0.5
149.02371	0.3
149.04817	0.5
149.05978	5.2
150.03114	0.8
151.00275	0.6
151.03815	0.3
152.01027	0.6
157.06523	0.5
161.02353	0.5
161.04488	0.9
161.05984	0.7
161.13187	0.4
163.00273	5.9
163.03838	0.7
164.01096	1.9
165.01843	5.5
165.05380	0.3
167.07043	3.6
171.04526	0.3
173.04684	0.4
173.05960	1.9
175.03941	0.3
178.02644	0.6
179.03410	1.2
183.02972	0.3
185.05974	0.9
187.03917	2.4
189.01790	0.6
190.02715	0.3
191.03391	1.7
191.07097	2.4
193.05003	1.5
199.07610	0.8
203.07091	1.8
209.08119	0.5
210.01622	0.7
217.04991	8.3
218.05373	0.5
231.06625	0.8
235.06065	16.8
236.06389	1.0
241.08560	1.5
249.07545	0.5
255.06828	0.3
259.06204	1.7
261.07626	0.6
264.87177	0.3
265.09235	0.8
266.09775	0.3
269.04523	0.8
271.06223	0.4
277.07153	0.4
281.08118	0.3
283.06055	2.7
284.06784	1.1
285.07639	2.1
309.11887	0.7
310.91113	0.3
311.12900	1.2
337.10803	7.5
337.23792	1.5
338.11148	0.8
355.11838	100.0
356.12158	9.1
379.11838	1.6
397.12839	2.7
398.13309	0.3
453.20819	0.4
454.21890	0.5
455.22153	1.0
499.16171	0.6
499.29141	1.8
517.30298	0.8
550.81226	0.3
559.17621	4.0
559.31458	1.0
560.18677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70307	0.3
57.03315	0.7
58.00452	0.3
59.01250	12.4
61.98708	0.7
65.00190	2.9
68.99673	0.6
71.01252	3.9
72.99176	0.4
73.02827	1.9
77.03799	0.3
79.01778	1.4
79.05406	0.3
81.03329	0.4
83.01254	1.8
83.04895	0.5
85.02809	1.5
87.00774	0.4
89.02314	2.5
93.03335	4.2
95.01260	0.5
95.04932	0.6
97.02838	0.6
101.02323	2.6
103.05383	0.4
107.01233	0.6
107.04919	0.8
108.02058	0.7
109.02877	0.4
110.03620	1.1
111.00776	0.3
113.02338	2.0
116.92742	0.4
117.03314	0.5
118.95649	0.3
119.04913	33.4
120.05249	0.8
121.02836	3.1
122.03614	0.3
123.00760	1.1
123.04413	0.4
123.08040	0.7
125.02292	0.4
125.05963	6.5
129.06995	0.4
131.04936	0.9
135.00745	1.6
135.04460	0.5
136.01550	4.1
137.02315	0.6
139.03946	0.3
143.04964	1.6
145.02892	1.5
145.03821	0.3
147.04391	0.4
149.02328	0.5
149.04860	0.4
149.05981	4.9
150.03142	0.6
152.01036	0.3
155.04836	0.3
156.05682	0.3
160.03957	1.1
161.04466	0.7
161.05983	0.9
163.00269	4.8
163.03954	0.5
163.30632	0.3
164.01060	2.5
165.01846	5.5
165.05511	0.3
166.02158	0.4
167.07048	2.6
173.05954	1.7
176.01105	0.4
177.01808	0.6
178.02614	0.8
179.03421	1.1
185.06007	1.5
187.03906	1.9
187.11191	0.4
190.02623	0.4
191.03421	1.4
191.07059	2.0
193.04988	2.0
198.06808	0.4
199.07515	0.6
203.07069	1.3
203.10628	0.3
205.12189	0.3
209.08151	0.5
210.01631	0.6
217.04997	8.6
218.13611	0.3
231.06619	1.0
235.06068	16.8
236.06487	0.7
241.08723	1.6
243.06682	0.5
249.07626	0.5
259.06158	1.8
261.07458	0.7
268.03772	1.6
269.04453	1.5
277.07181	0.4
281.08102	0.5
283.06052	2.5
284.06903	0.9
285.07697	1.9
293.11652	0.3
309.11847	0.4
311.12915	1.0
337.10822	7.5
337.23993	0.4
338.11078	0.8
355.11847	100.0
356.12167	10.2
379.11911	1.9
397.12961	3.2
439.12335	0.3
494.90213	0.3
499.15863	1.0
499.29047	2.3
517.30121	0.5
559.17950	4.2
559.31604	0.6
560.18146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.4
59.01244	4.1
60.99179	2.5
61.98686	1.0
64.27884	0.5
67.01749	4.9
69.03303	1.2
69.64600	3.0
70.11120	0.4
71.00969	0.4
71.01252	5.3
73.02782	0.7
75.00735	0.7
81.03321	0.9
82.45208	0.5
84.59592	0.5
85.02821	3.7
87.00754	6.5
89.02299	2.1
93.03330	47.4
94.03664	1.2
96.17489	0.6
99.00700	0.5
99.04382	0.8
101.02325	1.5
108.02039	0.9
109.02806	1.5
111.00752	1.2
111.04385	5.7
113.02321	1.1
119.03358	0.7
121.02824	1.1
127.03868	0.9
137.02296	2.5
147.04504	0.7
149.02335	4.9
150.03140	1.3
151.03831	0.6
152.00996	0.7
153.01790	0.8
155.03377	1.6
162.41676	0.5
163.03908	0.9
164.04683	5.0
165.05501	1.1
173.04459	14.2
175.00191	1.5
176.01074	7.4
177.05415	0.8
179.07056	0.6
190.02669	4.3
191.03394	13.4
191.05505	13.8
192.03938	0.6
192.05829	0.5
193.01422	0.6
194.02092	0.7
205.05008	5.0
206.05650	2.4
207.03075	0.6
208.03835	0.7
209.04454	2.3
221.08128	1.9
223.06062	4.7
250.04796	0.7
251.05676	0.9
265.07172	4.6
311.07733	0.6
313.38586	0.5
335.09503	0.7
346.90799	0.6
353.10864	27.4
354.11191	1.3
483.11307	0.6
524.82367	0.6
559.16602	100.0
560.16876	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	557.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.8
61.32278	0.1
61.98700	100.0
62.98375	0.2
66.02908	0.1
70.12778	0.3
70.13157	0.6
78.95770	0.7
90.13737	0.1
91.56920	0.2
91.78282	0.1
100.09908	0.1
109.99301	0.1
124.36217	0.1
152.99527	0.3
165.11052	0.2
167.01089	0.2
218.80963	0.1
224.06975	0.2
255.23277	2.0
256.23627	0.7
257.24063	0.4
258.24194	0.2
287.22278	0.9
322.29486	0.2
480.30939	1.2
481.31509	0.4
482.31937	0.3
483.31964	0.8
557.32715	0.6
557.43951	0.6
573.13245	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69022	1.1
55.01761	1.6
58.00462	1.5
59.01248	87.9
60.01578	2.3
61.98699	12.9
64.96906	1.3
71.00906	1.6
71.01257	23.5
71.39495	1.7
72.99160	3.3
73.02821	13.2
75.00693	1.6
83.01224	4.1
83.04887	1.5
85.02799	6.0
87.00747	3.2
87.04366	5.1
88.01121	1.3
89.02317	7.1
95.01293	2.9
96.95899	1.3
101.02327	14.9
101.05953	3.2
107.04869	1.8
108.02058	8.2
109.02883	1.4
109.06472	1.7
113.02310	9.1
119.03341	1.6
119.04876	3.6
120.43967	1.3
121.02850	1.9
125.02311	2.0
126.99419	4.9
137.02304	1.6
151.00290	1.9
152.00993	5.3
153.01779	2.2
160.03972	1.6
161.04527	2.1
163.03915	1.8
177.01836	2.6
253.03752	2.8
254.02045	2.5
254.04549	38.3
255.04959	2.9
265.04001	1.5
266.04590	8.8
268.03580	1.8
268.06033	7.1
270.04840	1.4
280.06161	16.6
290.08173	3.9
292.06046	1.7
306.07669	16.3
307.08240	1.8
308.05862	2.6
308.09216	21.5
315.07114	4.2
320.09320	3.0
321.09940	5.8
322.10812	9.1
323.08069	2.5
323.11670	2.3
336.12384	4.5
338.10312	55.3
338.13925	2.8
339.10593	4.2
340.11865	5.2
354.13571	2.1
437.16119	2.5
438.26108	1.8
472.30319	1.6
498.17538	8.8
498.29712	1.5
499.29178	6.4
516.18689	31.0
517.18689	3.3
517.30499	2.0
543.17426	2.9
558.19635	100.0
559.20129	15.6
559.31177	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82257	0.8
50.97516	0.9
52.52817	1.1
56.98067	0.8
59.01247	100.0
60.01564	1.1
61.98705	1.1
69.36430	2.8
69.36845	4.8
83.09566	0.9
101.05953	8.1
102.06277	1.6
168.30978	0.9
185.34299	0.9
203.51811	1.0
227.07022	2.7
397.15417	1.3
499.22467	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62164	0.3
52.15040	0.3
52.40567	0.3
55.01758	0.4
57.03325	4.6
58.00463	1.4
59.01249	84.3
60.01583	0.9
61.98703	4.0
69.03307	0.4
69.23029	0.9
69.23450	2.2
71.01252	17.1
71.04910	0.4
72.99177	1.7
73.02816	2.8
75.00756	0.6
78.48209	0.3
83.01265	1.8
83.04881	0.4
84.24834	0.3
85.02821	27.6
86.03130	0.5
87.00749	1.9
87.04414	0.4
87.66627	0.3
89.02312	12.8
93.03345	1.1
95.01277	0.8
97.02818	0.7
99.00725	0.9
99.04405	1.4
101.02320	11.5
101.05961	0.6
102.02625	0.4
103.03886	52.5
104.04228	1.1
107.04916	0.7
108.02077	0.4
111.00762	0.9
111.04408	0.5
113.02328	5.9
117.05470	0.8
117.74657	0.3
119.03387	6.0
119.04884	4.0
121.02860	0.5
125.02347	0.7
131.03386	0.6
133.06468	0.6
135.04405	1.4
137.02393	0.3
143.03415	0.7
144.74548	0.3
145.05002	1.5
145.06044	0.3
147.11705	0.4
148.08856	1.4
149.04530	0.6
149.05899	0.4
150.06726	0.6
159.02905	0.3
161.04451	1.3
161.13283	3.7
162.13615	0.3
163.03920	0.5
163.07635	0.4
171.04402	0.4
173.06059	0.3
173.13354	0.3
175.00320	0.4
179.05527	1.2
179.06969	0.4
185.13307	1.8
187.11203	6.5
188.11546	0.4
189.09094	0.5
191.14317	0.7
201.12781	1.0
203.14352	2.5
205.12277	13.0
206.12651	1.0
215.03424	1.6
219.13834	3.2
229.12270	2.6
247.08281	1.2
247.13351	3.1
249.11250	2.7
265.09268	76.6
266.09613	3.6
267.12131	0.4
269.04590	0.3
277.14471	0.5
291.12253	0.4
295.06128	0.7
307.10361	0.5
309.13443	1.1
335.09161	2.8
351.14273	0.5
352.09250	0.6
353.10281	1.4
353.23434	0.4
395.11307	0.7
411.16547	1.1
453.21262	100.0
454.21652	8.5
455.19980	0.4
471.18732	1.7
479.19351	0.4
497.20288	21.6
498.20599	2.0
515.21527	1.6
557.22540	30.4
558.23163	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	557.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74368	0.3
55.01752	0.4
57.03320	5.3
58.00460	2.0
59.01247	92.1
60.01582	1.0
61.98708	2.3
71.01250	19.0
71.53033	0.5
72.99176	2.1
73.02814	2.0
75.00758	0.5
75.78161	0.4
79.17056	0.4
83.01254	2.1
83.04917	0.4
85.02818	30.2
86.03179	0.7
87.00743	2.0
88.45013	0.4
89.02311	17.7
95.01278	1.4
97.02847	0.8
99.00764	0.9
99.04396	1.4
101.02316	13.6
101.06004	0.5
103.03884	58.2
104.04234	1.2
107.04884	0.7
108.02020	0.4
111.00769	0.4
111.04411	0.4
113.02322	7.5
113.03061	0.6
113.06016	0.4
117.05447	1.4
119.03384	7.6
119.04890	0.4
125.02309	0.6
131.03421	0.6
136.11493	0.4
143.03387	1.1
145.04947	1.8
147.11702	1.0
148.08835	1.3
150.06711	1.0
159.11679	0.4
161.04428	1.2
161.13254	6.0
173.13399	0.4
179.05505	1.2
185.09659	0.6
185.13286	2.2
187.11200	8.2
188.11577	0.6
191.14294	0.4
201.12794	0.7
203.14333	3.6
203.17775	0.4
205.12256	15.8
206.12561	0.6
219.13857	1.5
225.09085	0.6
229.12251	2.8
247.08176	1.4
247.13364	3.4
249.11276	1.4
265.09256	100.0
266.09576	3.5
309.13525	0.6
325.10632	0.6
381.15747	0.5
411.16971	0.8
439.14401	0.4
453.21252	93.3
454.21552	9.8
471.18555	1.5
479.19254	0.5
497.20276	16.1
497.27243	0.9
498.20703	1.6
515.21161	1.1
546.18304	0.4
557.22272	32.9
557.28973	1.5
558.22809	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	557.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.0
58.00468	1.2
59.01249	78.4
60.01572	0.8
61.98693	2.2
71.01249	16.3
72.99182	1.4
73.02804	1.7
81.03339	0.6
83.01265	1.4
83.04909	0.6
85.02819	26.4
86.03138	0.5
87.00748	1.7
89.02316	13.7
95.01263	0.6
95.04864	0.5
97.02825	0.5
99.00747	0.9
99.04395	1.1
101.02317	11.9
103.03887	48.2
107.04959	0.6
109.23884	0.4
113.02326	6.3
117.05455	1.3
119.03376	6.0
119.04812	0.4
121.02795	0.4
123.08063	0.4
131.03360	0.5
135.04506	0.4
143.03416	0.6
145.04955	2.0
148.08835	1.6
149.04536	0.4
161.04422	1.0
161.13251	4.1
175.11171	0.5
179.05519	1.1
185.09645	0.7
185.13292	1.4
185.41498	0.3
187.11198	6.9
203.14365	2.4
205.12271	12.7
206.12666	1.0
219.13777	1.7
229.12305	2.5
229.67284	0.4
247.08160	1.1
247.13295	3.0
249.11227	1.2
265.09265	93.2
266.09598	3.9
268.18054	0.4
293.81308	0.4
309.13522	0.7
351.14529	0.5
365.18030	0.4
367.34842	0.3
411.16559	1.2
453.21262	100.0
454.21597	10.7
461.83981	0.4
471.18878	1.9
497.20248	16.5
497.26852	0.8
498.20551	2.5
507.02060	0.4
515.21893	1.8
557.22308	31.8
557.28851	1.4
558.22552	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	557.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17364	0.7
55.01759	1.3
57.03315	5.4
58.00460	1.5
59.01247	100.0
60.01589	0.8
61.98698	16.3
71.01247	18.0
71.52757	0.7
72.99178	2.9
73.02811	3.5
83.01263	2.8
83.04899	1.1
85.02817	26.9
87.00772	2.2
89.02316	11.1
93.03364	0.9
95.01270	1.2
96.95844	0.8
97.06461	0.8
99.00751	1.0
99.04399	2.2
101.02320	11.2
101.05982	0.9
103.03882	43.2
107.04889	0.8
111.04392	0.9
113.02315	7.4
116.92767	1.5
117.05463	0.8
119.03384	6.3
119.04935	1.8
125.02351	1.3
131.03412	0.8
143.03416	1.2
145.04907	0.8
148.08832	1.8
161.04459	2.1
161.13206	4.0
179.05586	1.0
185.13263	2.0
187.11179	7.3
201.12836	1.3
203.14394	3.4
205.12268	16.7
206.12643	0.8
229.12289	2.0
238.55043	0.7
247.08238	1.0
247.13335	2.2
249.11345	2.1
258.52457	0.7
265.09265	66.5
266.09625	2.6
294.04956	0.8
325.10648	1.6
335.09122	0.8
352.08771	1.5
353.09460	2.3
383.96234	0.8
411.16446	0.8
453.21265	95.1
454.21527	9.3
471.19290	1.7
497.20319	20.2
497.27451	1.5
498.20673	2.3
515.21283	1.2
519.13220	0.7
534.29724	0.8
557.22375	37.8
557.30029	4.4
558.22504	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	557.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.8
59.01246	84.0
60.01572	1.0
61.98697	6.9
65.00178	2.4
68.99663	2.0
69.34238	6.5
71.00854	0.8
71.01248	15.6
72.99148	1.1
73.02814	13.6
73.16855	0.7
79.05421	1.4
83.01260	5.6
85.02795	4.1
87.00738	1.3
89.02327	4.2
89.99873	0.7
93.03338	6.0
95.01247	1.8
98.20545	1.5
99.00710	1.3
101.02310	10.8
101.05997	1.2
102.98417	0.7
103.03798	0.8
103.05378	1.6
107.04880	0.9
108.02061	1.5
109.02849	1.1
111.00729	1.0
113.02317	5.7
117.03358	1.0
119.04909	53.9
120.05275	1.4
121.02816	1.2
121.06488	1.4
123.04424	1.7
125.02259	0.9
125.42097	0.7
131.01268	2.5
135.04420	1.6
136.01541	0.7
143.04878	1.5
145.02808	2.7
147.04355	1.5
149.02330	1.7
151.00224	1.0
159.04373	1.4
161.02298	1.9
161.04503	1.2
161.05927	1.4
163.03951	1.2
163.07664	0.8
165.05458	1.4
171.04419	7.4
172.04985	0.9
173.02287	1.0
173.05894	1.2
174.03130	0.9
175.00285	19.5
175.03894	6.7
176.00740	1.6
187.03908	3.1
189.01859	5.9
189.05464	2.6
190.02541	1.0
195.13844	1.4
201.05438	0.9
203.03371	3.7
204.04247	3.7
205.05034	1.5
209.11652	1.0
215.03430	19.5
216.03853	1.3
217.04979	2.4
229.04953	1.2
232.03708	5.9
233.04501	11.8
241.04948	1.3
241.14423	6.8
245.04482	1.0
246.05260	1.5
247.06099	1.1
269.04483	1.5
270.05124	1.2
284.76208	0.7
295.06107	21.8
296.06378	2.5
309.04135	1.0
335.09207	35.7
336.09525	3.0
337.10718	0.9
351.08499	1.1
351.91635	0.8
352.09430	11.0
353.10205	27.9
354.10504	2.2
437.10681	6.8
437.25461	1.2
446.65482	0.8
497.14249	1.4
497.27338	1.8
515.15527	2.4
515.28326	1.4
557.16553	100.0
557.30493	5.1
558.16779	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	557.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.4
59.01248	42.5
61.98692	4.1
62.00874	0.6
65.00214	1.1
66.28701	0.5
69.03336	0.5
69.24714	2.9
69.25144	2.4
69.98129	0.5
71.01254	8.6
72.99197	0.8
73.02813	3.8
75.00745	0.9
75.97337	0.7
78.00298	0.6
83.01254	2.0
85.02811	4.7
87.00726	1.1
89.02309	3.8
93.03331	18.0
94.03668	0.7
95.01263	1.4
96.57522	0.6
96.95908	0.6
97.02814	1.1
99.00757	0.8
99.04379	0.7
100.68183	0.7
101.02319	5.6
103.03889	1.9
103.05405	0.7
107.04915	2.1
108.02049	0.7
109.02837	1.0
111.00738	0.9
113.02328	4.4
118.98016	0.6
119.04910	76.6
120.05248	3.5
121.02843	1.6
125.02367	0.9
135.04404	0.7
137.02339	0.9
143.03410	0.7
143.04950	1.3
145.02843	2.0
147.04420	0.6
149.02310	0.8
149.05890	0.7
151.00252	0.9
152.01009	0.7
160.03967	0.7
161.04509	1.1
163.00269	0.7
163.03937	1.8
171.04414	14.6
172.04788	0.6
175.00293	2.7
187.03883	0.8
189.05515	1.2
201.05421	0.6
215.03439	64.3
216.03734	3.6
229.04990	1.6
233.04507	61.6
234.04823	3.1
241.05144	1.4
247.06049	1.6
251.05568	1.9
255.02917	0.6
259.06110	1.8
265.09262	2.5
266.09644	1.3
267.09616	1.2
268.03619	1.1
269.04550	2.2
278.04218	0.8
295.06158	2.9
297.04105	0.7
333.07651	0.9
335.09225	9.3
351.08884	0.9
352.09341	2.4
353.10278	100.0
354.10547	8.7
377.10626	0.6
420.62842	0.7
479.13687	0.7
497.14471	1.3
497.27539	1.4
515.28778	0.6
539.15472	8.2
540.15942	1.4
556.24847	0.8
557.16699	24.2
557.24829	4.9
557.31812	3.2
558.16833	4.0
558.25018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.8
59.01246	84.0
60.01572	1.0
61.98697	6.9
65.00178	2.4
68.99663	2.0
69.34238	6.5
71.00854	0.8
71.01248	15.6
72.99148	1.1
73.02814	13.6
73.16855	0.7
79.05421	1.4
83.01260	5.6
85.02795	4.1
87.00738	1.3
89.02327	4.2
89.99873	0.7
93.03338	6.0
95.01247	1.8
98.20545	1.5
99.00710	1.3
101.02310	10.8
101.05997	1.2
102.98417	0.7
103.03798	0.8
103.05378	1.6
107.04880	0.9
108.02061	1.5
109.02849	1.1
111.00729	1.0
113.02317	5.7
117.03358	1.0
119.04909	53.9
120.05275	1.4
121.02816	1.2
121.06488	1.4
123.04424	1.7
125.02259	0.9
125.42097	0.7
131.01268	2.5
135.04420	1.6
136.01541	0.7
143.04878	1.5
145.02808	2.7
147.04355	1.5
149.02330	1.7
151.00224	1.0
159.04373	1.4
161.02298	1.9
161.04503	1.2
161.05927	1.4
163.03951	1.2
163.07664	0.8
165.05458	1.4
171.04419	7.4
172.04985	0.9
173.02287	1.0
173.05894	1.2
174.03130	0.9
175.00285	19.5
175.03894	6.7
176.00740	1.6
187.03908	3.1
189.01859	5.9
189.05464	2.6
190.02541	1.0
195.13844	1.4
201.05438	0.9
203.03371	3.7
204.04247	3.7
205.05034	1.5
209.11652	1.0
215.03430	19.5
216.03853	1.3
217.04979	2.4
229.04953	1.2
232.03708	5.9
233.04501	11.8
241.04948	1.3
241.14423	6.8
245.04482	1.0
246.05260	1.5
247.06099	1.1
269.04483	1.5
270.05124	1.2
284.76208	0.7
295.06107	21.8
296.06378	2.5
309.04135	1.0
335.09207	35.7
336.09525	3.0
337.10718	0.9
351.08499	1.1
351.91635	0.8
352.09430	11.0
353.10205	27.9
354.10504	2.2
437.10681	6.8
437.25461	1.2
446.65482	0.8
497.14249	1.4
497.27338	1.8
515.15527	2.4
515.28326	1.4
557.16553	100.0
557.30493	5.1
558.16779	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	557.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19066	0.3
57.82243	0.3
59.01249	2.1
60.72210	0.3
61.98699	100.0
66.49788	0.3
67.01752	0.5
69.22983	2.1
69.23389	0.7
71.01244	0.4
82.38837	0.3
85.02812	0.4
86.09357	0.3
87.04349	1.4
94.62968	0.2
107.66874	0.3
144.78125	0.3
171.10132	0.3
189.44176	0.3
351.12515	0.4
383.03183	0.3
513.25055	1.1
557.22516	0.4
557.30103	0.5
583.15649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82634	0.6
53.28508	0.5
57.01473	0.6
59.00955	1.1
59.01247	21.1
61.98689	1.2
67.01753	1.5
69.03334	0.7
69.77516	3.2
73.72483	0.5
73.86713	0.5
78.95754	0.6
83.04902	0.8
83.15231	0.5
85.02828	3.4
91.05408	1.4
95.01202	0.8
101.05958	100.0
102.06270	1.5
107.01257	1.3
111.00771	1.4
115.07568	0.6
121.06414	0.9
125.09592	1.1
131.08600	1.2
149.87111	0.5
166.57153	0.5
187.11217	0.7
225.12807	0.6
227.14291	0.9
250.95792	0.5
251.51733	0.6
341.17682	0.8
351.15939	1.7
379.18646	0.5
391.18878	0.9
395.14923	18.1
396.15524	1.8
435.21637	1.1
448.20834	0.6
479.18671	0.7
495.20404	1.7
497.21790	14.4
498.22104	1.9
534.12170	0.7
555.26733	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35075	0.3
55.94703	0.3
68.38435	0.4
69.23400	0.6
69.23801	3.1
76.08643	0.3
98.20352	1.7
101.05956	100.0
102.06290	2.5
109.97964	0.4
221.30797	0.4
253.32353	0.3
263.70963	0.4
267.73288	0.3
286.95956	0.3
438.69049	0.3
553.57147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43397	0.6
59.01238	4.3
59.05860	0.7
60.04403	1.9
61.98681	2.5
64.05409	0.7
70.02846	5.0
71.01244	2.2
71.52232	0.8
71.52729	1.1
72.00790	0.8
72.04419	4.0
72.04771	0.7
72.99158	0.8
73.00661	0.6
73.02815	3.8
74.02342	8.3
74.05972	0.8
75.00741	32.9
78.95773	0.8
82.02850	1.4
85.02821	2.4
86.02341	1.5
87.04392	2.5
88.03894	2.9
100.03916	13.3
101.05945	1.3
102.05489	1.3
111.45663	0.6
112.03893	1.1
116.03426	4.7
118.04982	27.8
130.04991	16.4
167.10727	2.1
185.11749	25.6
186.12144	0.8
215.12878	1.0
241.21826	0.7
249.05276	0.6
269.21292	1.0
271.04700	1.3
281.21255	1.4
370.25858	4.1
388.22614	1.0
388.26840	4.9
538.37140	1.4
556.38495	100.0
557.38843	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	555.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.9
65.97891	0.5
67.00150	0.4
67.01751	1.3
69.79851	2.6
71.17482	0.5
83.04881	1.4
85.02826	3.4
87.73421	0.5
91.05405	1.2
95.01280	0.7
98.20054	1.4
101.05956	100.0
102.06299	2.1
107.01220	0.6
111.00710	1.3
115.07536	0.5
121.06462	0.8
125.09571	0.5
169.76712	0.5
171.03596	0.5
173.35602	0.5
175.07501	0.5
206.04205	0.5
211.11134	0.9
227.14371	1.0
229.12218	0.5
243.13846	0.6
269.80396	0.5
295.13629	0.6
335.66025	0.5
341.17310	1.2
351.16058	1.3
391.19070	0.8
395.14960	24.0
396.15427	1.9
435.21783	1.5
483.46362	0.5
497.21753	16.4
497.29034	0.9
498.22275	2.3
555.25940	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	555.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.4
59.01245	1.7
61.98692	2.1
66.33865	0.4
67.01746	2.7
69.03322	1.7
71.01256	0.6
71.04861	0.5
71.21447	0.6
71.21799	0.6
72.99191	1.0
74.31158	0.4
78.95782	1.7
79.46192	0.4
81.03288	0.7
83.04880	2.5
84.02003	0.4
84.68697	0.4
85.02818	2.0
85.06474	0.6
87.04377	5.6
93.03342	0.9
95.01276	0.9
95.04896	12.5
97.02811	1.2
97.06461	0.5
98.03618	2.4
101.05956	100.0
102.06292	2.7
107.04902	1.1
109.02895	0.5
109.06464	1.8
111.00753	2.3
113.05980	5.3
121.06475	1.0
123.08062	0.5
125.02310	0.4
125.09589	1.0
133.06505	0.5
135.08028	0.4
147.08032	0.4
152.99490	0.9
156.23557	0.4
165.98798	0.4
171.07997	0.6
173.09679	0.5
180.75211	0.4
181.10107	0.6
183.08089	0.4
185.09616	0.5
187.11256	0.6
189.12750	4.4
197.09633	0.6
199.11221	3.8
211.09656	0.8
217.12268	1.6
221.15158	0.5
225.12811	0.6
229.08665	0.8
235.11240	0.5
236.12184	0.5
237.12663	0.5
239.14339	0.5
243.10185	0.5
245.19127	1.6
249.12881	0.5
251.14545	0.5
257.03192	1.0
257.15482	0.6
259.09824	0.5
267.13916	0.5
269.15543	0.6
271.17020	0.7
272.05563	1.2
275.20346	0.7
277.21869	0.9
278.22070	1.5
280.11026	0.9
281.08426	0.5
285.11456	0.5
285.15045	0.7
285.18533	0.5
295.09958	1.2
295.13309	13.2
296.13446	1.0
301.18097	1.6
303.19617	1.0
309.11435	1.3
310.12003	4.4
311.12720	0.8
313.14523	3.0
313.17715	0.7
321.14908	1.0
323.16360	0.5
331.19067	3.3
333.14963	1.4
335.18445	2.5
351.16000	7.9
352.16486	1.0
381.20517	0.6
383.22806	0.4
391.19180	1.7
394.17349	0.9
395.15002	1.7
399.21768	0.8
409.20175	6.8
410.20767	0.5
413.15494	0.4
415.24689	0.5
427.21130	2.2
453.19131	0.5
459.23300	0.5
471.20230	24.5
472.20621	1.9
503.29645	1.3
511.26913	0.7
525.25177	0.7
555.25952	54.2
556.26312	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	555.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73509	0.1
57.03322	0.5
59.01244	0.6
62.57053	0.1
65.03834	0.3
65.75571	0.1
67.01759	1.6
68.62451	0.1
69.03309	0.2
70.14542	0.5
71.01254	0.2
71.04899	0.2
72.99173	0.5
79.05408	0.2
80.96378	0.5
81.03313	0.3
83.01215	0.1
83.04891	1.3
85.02821	5.5
91.05414	1.9
93.03334	0.2
94.97968	0.2
95.01263	0.6
95.04887	0.2
97.02846	0.2
99.08012	0.3
101.05959	100.0
102.06297	2.3
105.06982	0.3
106.04131	0.2
107.04905	0.4
107.07931	0.1
109.02828	0.3
111.00762	1.5
115.07492	0.3
119.04924	0.2
119.08574	0.1
121.05070	0.2
121.06495	0.9
123.08009	0.2
125.09616	0.9
129.06981	0.3
131.08560	1.0
133.06509	0.4
135.04367	0.3
135.08075	0.3
136.05176	0.1
141.09169	0.2
143.08575	0.3
145.10141	0.3
147.04390	0.6
147.08049	0.3
148.05205	0.2
149.05971	0.3
149.09546	0.2
155.08609	0.2
157.06468	0.3
157.10059	0.2
159.08086	0.2
163.03839	0.3
169.10251	0.2
171.08089	0.3
175.07520	0.4
175.11285	0.1
181.10106	0.1
183.11728	0.3
185.09654	0.3
187.11238	0.3
195.11778	0.1
197.09651	0.4
199.11168	0.1
201.12788	0.3
209.09636	0.2
209.13170	0.3
211.11218	0.6
211.14839	0.2
213.09024	0.2
217.12347	0.2
221.09758	0.3
225.12817	0.4
227.14398	1.4
229.12248	0.2
235.11258	0.2
237.12773	0.4
239.10468	0.2
243.13913	0.5
245.15533	0.3
247.11302	0.2
251.14325	0.2
255.05267	0.3
255.13881	0.4
261.12866	0.2
263.14487	0.2
270.07556	0.2
271.13464	0.2
289.15903	0.2
293.08862	0.1
295.13284	0.3
295.16846	0.3
307.13333	0.4
307.16910	0.2
313.14395	0.2
313.21814	0.2
315.16074	0.4
315.80328	0.1
321.14920	0.2
323.16544	0.3
329.20987	0.2
333.15009	0.4
335.12759	0.5
339.19681	0.2
341.17505	2.0
342.18005	0.2
351.15994	1.8
352.16528	0.2
357.20868	0.1
367.14893	0.1
369.17044	0.2
377.14014	0.2
379.19153	0.3
391.19025	1.2
395.14963	26.5
396.15240	2.8
417.20654	0.2
435.21964	1.5
436.21976	0.2
453.18082	0.2
453.22940	0.5
497.21771	19.1
498.22174	2.6
555.26129	2.4
556.26367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11618	0.1
55.12756	0.2
57.03313	0.9
59.01242	0.8
61.98703	1.3
65.03819	0.4
65.68950	0.2
67.01758	2.1
68.99659	0.2
69.03333	0.2
71.01250	0.3
72.99157	0.5
78.95763	0.4
79.05409	0.2
80.96399	0.2
81.03327	0.4
83.01255	0.2
83.04897	1.7
83.61012	0.1
85.02821	6.9
86.03114	0.2
91.05405	2.2
93.03326	0.2
95.01263	0.7
95.04877	0.2
97.02830	0.3
97.06487	0.1
98.20512	0.3
99.08032	0.6
101.05959	100.0
102.06295	2.3
105.06982	0.2
106.04162	0.3
107.04910	0.5
107.89423	0.2
109.02839	0.2
109.06471	0.3
111.00774	1.6
113.05981	0.2
115.07491	0.7
119.04926	0.5
119.24387	0.2
121.02830	0.2
121.06477	0.9
123.04420	0.2
125.09628	1.7
129.06993	0.6
131.08542	1.1
133.06502	0.4
135.08047	0.3
141.05455	0.3
143.08549	0.3
145.06456	0.2
145.10123	0.5
147.04408	0.3
147.08037	0.4
148.05203	0.3
149.05940	0.4
155.08586	0.1
157.06367	0.2
157.10123	0.4
159.08063	0.3
161.09628	0.2
169.10136	0.2
171.08096	0.4
171.11720	0.3
173.09662	0.2
175.07500	0.4
183.08090	0.2
183.11696	0.4
185.09637	0.2
187.11156	0.3
191.03352	0.3
197.09615	0.2
199.11221	0.8
201.12730	0.5
209.09706	0.3
209.13336	0.4
211.11255	1.4
212.11890	0.2
213.12772	0.3
215.10814	0.2
215.14345	0.2
219.11600	0.2
221.09792	0.2
223.11269	0.3
225.12746	0.4
227.10811	0.2
227.14345	2.0
229.12326	0.3
237.12845	0.3
239.10893	0.2
239.20221	0.2
243.13782	0.7
245.15454	0.7
251.14354	0.4
255.13972	0.5
261.12796	0.2
263.14478	0.3
267.17459	0.5
269.19104	0.2
271.13370	0.2
273.15076	0.2
277.15945	0.2
289.15231	0.2
295.13367	1.0
295.16928	0.3
307.13477	0.5
307.16867	0.3
311.20160	0.4
313.14545	0.2
313.18185	0.3
313.21796	0.3
323.16504	0.4
325.18234	0.3
329.21384	0.3
333.14923	0.3
335.12985	0.9
341.17545	2.7
342.17972	0.3
349.14642	0.2
351.16068	2.8
352.16104	0.2
353.14078	0.3
357.20694	0.2
369.17035	0.3
377.13882	0.2
379.19360	0.9
389.21289	0.2
391.18939	1.7
392.19388	0.3
395.14969	28.8
396.15298	3.5
401.17444	0.2
409.19598	0.3
409.24408	0.2
413.15964	1.4
414.16211	0.2
417.20715	0.5
419.18478	0.4
435.21860	2.1
436.22186	0.3
437.19882	0.2
453.18304	0.3
453.23126	0.5
471.19928	0.2
497.21793	20.7
498.22192	3.2
537.25134	0.3
555.25830	2.1
555.33301	0.2
556.26483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.4
57.03326	0.9
57.12414	0.3
59.01249	19.7
60.01556	0.3
60.41472	0.4
61.98689	1.5
67.01760	0.4
69.36834	0.7
69.37233	2.7
71.01255	5.6
72.99165	0.7
73.02818	1.9
75.00765	0.4
83.01228	0.8
85.02835	1.8
87.00745	0.5
87.04365	0.6
89.02316	1.6
89.26393	0.4
90.98450	0.6
93.03368	0.8
95.01259	0.4
101.02324	2.7
103.03896	0.9
107.04919	0.5
108.02023	0.9
109.02837	0.9
111.00710	0.5
113.02333	1.8
119.03426	0.7
119.04919	2.2
121.02831	1.3
122.03616	1.1
123.04409	0.7
125.02336	0.5
135.04407	23.9
139.03871	0.5
143.03381	0.6
147.04474	0.4
148.05258	0.6
149.02357	0.6
149.05984	4.9
150.06766	44.0
151.00237	0.4
151.03922	1.3
151.07547	4.5
152.01019	1.0
153.01852	0.5
161.04465	1.0
161.05980	2.1
163.03906	1.8
163.07570	2.9
164.04678	0.7
165.05470	2.1
175.03894	1.2
177.05516	0.6
179.07024	2.2
182.05786	0.6
189.09023	0.4
190.02681	0.9
191.10695	1.0
193.04988	6.3
194.05765	18.3
195.06224	0.8
195.13763	0.5
203.10706	2.9
205.05016	2.5
208.03699	0.5
217.08693	0.5
220.11028	0.5
223.06061	18.5
224.06500	1.1
225.36398	0.4
226.04767	44.0
227.05096	2.1
231.10298	0.8
231.13811	0.7
238.12039	0.6
239.12848	3.1
254.15010	0.4
263.09048	0.4
263.13034	0.7
269.04498	2.1
279.13342	0.4
279.16019	1.7
282.11066	15.8
283.11496	1.5
333.13455	0.6
333.16971	2.1
351.18112	100.0
352.18417	10.2
398.11844	0.7
459.41309	0.5
511.22086	0.7
555.24176	7.7
555.32318	0.5
556.24615	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58716	1.3
57.28658	1.5
59.01257	15.9
71.01260	11.9
73.02819	16.3
83.01257	3.1
85.02839	3.1
93.05213	1.6
98.19837	3.1
101.02321	9.1
103.13107	1.5
106.04142	9.1
110.42943	1.7
113.02345	4.5
116.92783	2.0
122.06035	3.1
133.06305	1.6
138.03047	2.2
147.18008	1.6
152.07097	2.7
161.04446	2.1
175.11180	12.4
187.11197	3.8
190.02562	2.4
219.10115	1.7
245.08180	7.4
263.16544	1.9
281.09256	1.8
282.09683	2.0
289.14215	1.9
307.15503	100.0
308.16016	9.8
321.17474	2.0
336.84872	1.7
349.16592	10.8
350.16370	3.2
391.17828	1.9
447.17947	2.4
451.19501	2.1
509.52328	1.6
511.21777	18.0
512.22894	2.4
523.19464	3.5
555.23499	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	555.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.8
58.00445	0.8
59.00956	1.5
59.01246	21.3
71.01249	10.8
72.99181	0.7
73.02798	0.7
74.72411	0.6
85.02817	17.4
87.00776	0.8
87.04381	2.3
88.32945	0.7
89.02313	16.1
95.01252	0.6
96.95903	2.1
101.02320	9.1
103.03884	33.0
106.04117	8.7
107.04884	2.3
113.02315	6.6
117.05439	0.7
119.03370	5.5
121.02823	0.7
138.03102	1.9
145.04953	0.8
159.08116	0.7
161.04402	1.3
175.11208	11.8
175.15573	0.8
176.11494	0.8
179.05508	1.4
182.02095	1.8
185.09637	1.0
187.11244	3.4
203.10612	1.4
219.10222	1.1
229.25807	0.7
263.16516	2.8
265.09259	71.6
266.09622	4.0
289.14221	1.1
307.15491	34.5
308.15979	4.3
321.17102	1.6
349.16513	31.0
350.16925	3.4
379.17596	2.4
409.18515	5.8
410.18729	0.9
425.63791	0.7
451.19696	1.7
510.08942	0.6
537.22626	0.8
555.24426	100.0
556.24774	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	555.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34387	0.2
52.31192	0.2
57.03324	1.6
58.00478	1.0
59.01245	19.3
62.15890	0.3
70.23600	0.2
70.23933	1.0
71.00851	0.6
71.01251	11.6
72.99167	1.4
73.02824	1.3
76.26923	0.2
80.14404	0.2
83.01281	1.1
83.04911	0.3
83.49680	0.3
83.89071	0.2
85.02818	14.4
87.00719	1.2
89.02314	13.5
95.01289	1.0
96.95896	0.2
98.20462	0.3
99.00785	0.7
99.04403	0.5
101.02320	10.0
103.00282	0.6
103.03884	25.6
104.04246	0.6
106.40933	0.3
108.70946	0.3
109.02855	0.3
111.00780	0.4
113.02325	6.5
117.05437	0.4
119.03382	5.6
119.04885	0.6
125.02350	0.6
127.03879	1.5
131.03401	0.4
137.02347	0.5
139.00278	0.3
143.03424	0.8
145.04974	1.1
149.02403	0.4
149.04501	0.5
150.03125	1.1
151.62506	0.2
151.93132	0.2
161.04486	0.9
165.05452	2.1
179.05545	1.0
197.04507	0.8
215.82053	0.2
217.99442	0.2
221.08327	0.3
221.10306	1.1
231.83104	0.3
247.08183	1.3
265.09268	100.0
266.09610	4.9
288.34238	0.3
289.09308	2.4
331.10349	0.4
333.08249	23.0
334.08633	1.0
341.08691	1.7
361.11218	0.4
418.07922	0.3
555.19153	15.1
556.19543	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06913	0.6
58.00441	0.6
59.01250	57.1
61.98694	2.3
71.01245	6.3
71.17138	0.6
71.53358	1.2
72.28688	0.5
72.99168	0.9
73.02811	1.8
75.00729	1.1
75.26751	0.6
83.01247	1.1
85.02824	4.4
87.00772	0.8
89.02319	3.8
93.03336	1.2
95.01295	1.1
96.95886	2.9
99.00780	0.8
101.02329	4.5
101.02985	0.6
103.03893	6.0
106.04080	1.5
108.02036	1.0
109.02808	0.7
111.00761	0.7
113.02330	3.1
115.03825	0.6
116.92761	2.5
119.03365	1.6
119.04913	2.1
121.02809	0.7
123.04371	0.8
124.01602	0.7
135.04398	0.7
139.00366	0.7
143.65797	0.6
147.08029	2.0
149.02362	1.0
149.05959	0.7
151.00259	0.8
152.01048	1.0
153.01718	0.7
160.03902	1.0
161.02353	1.9
161.04492	0.9
163.03896	1.4
175.00232	1.2
188.01064	7.2
188.06998	0.6
189.05469	0.7
190.02603	2.1
191.07051	1.9
205.04987	1.7
206.05341	0.8
208.42461	0.6
210.86758	0.6
216.00577	100.0
217.00880	4.2
223.06078	1.2
231.02940	47.7
232.03319	3.0
233.08138	0.8
263.09216	0.8
265.09262	13.5
266.09570	0.9
269.04553	1.0
281.08893	0.6
289.14676	1.1
293.04660	1.1
307.15469	3.2
323.05066	0.7
347.15079	0.7
349.16418	2.6
351.08768	2.8
379.17648	0.6
409.18454	1.7
441.17657	1.1
537.23297	1.4
554.23553	1.1
555.24518	18.5
556.24341	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63536	0.2
59.01245	8.9
61.98695	0.7
65.00180	0.4
68.74440	0.2
71.01244	3.7
73.02816	3.5
75.00737	0.2
82.96060	0.2
83.01242	1.2
85.02820	0.8
89.02320	0.7
93.03336	0.7
99.00808	0.2
101.02309	2.7
108.02058	0.2
109.02792	0.3
113.02325	1.0
115.05435	0.2
116.08381	0.2
117.03330	8.3
117.06970	0.4
118.03711	0.3
119.04907	1.6
121.02835	0.5
125.02302	0.2
131.01230	0.4
135.04417	0.6
136.01569	0.6
137.05980	0.3
143.04924	0.4
145.02831	0.5
145.06509	0.5
147.04401	0.4
148.01624	0.2
149.02383	0.2
150.06667	0.3
151.00284	0.2
159.04427	1.1
159.08058	0.2
160.05090	0.3
161.02350	1.2
161.04536	0.3
161.05954	1.1
162.87196	0.2
163.00232	0.4
163.03906	0.6
165.05441	0.3
171.04401	0.9
173.02354	1.7
173.06032	0.2
174.03134	0.3
175.00253	2.6
175.03885	0.5
176.00769	0.3
179.03305	0.2
180.30562	0.2
185.02496	0.2
185.05920	0.4
187.03923	0.8
188.04640	0.3
189.01703	0.2
189.05478	1.6
190.02563	0.2
201.05527	0.2
203.07028	0.7
205.04990	0.8
213.05493	0.6
215.03491	1.4
227.03491	0.4
229.05110	0.4
231.06686	0.3
233.04459	0.3
240.04250	0.4
249.05431	0.4
253.05028	0.7
267.02805	0.3
268.03745	5.3
269.04236	1.0
281.04553	4.5
282.05219	2.2
283.05661	0.2
284.83984	0.2
289.08539	0.2
290.05957	0.3
291.06696	0.4
293.04538	47.4
294.04990	5.2
305.04819	0.4
305.08188	1.5
305.11197	0.2
307.06073	0.6
307.09570	0.4
308.06842	0.4
314.04269	6.8
315.04584	0.8
318.05307	1.0
319.06009	0.8
320.06619	0.3
321.07669	2.0
322.08447	0.8
323.09216	19.9
324.09637	1.9
333.07660	11.7
334.08090	1.1
335.09253	1.3
336.06238	0.4
349.07053	0.7
350.07889	5.5
351.08704	100.0
352.09018	9.2
393.09821	0.7
420.15204	0.2
495.13031	2.5
513.14063	2.4
514.14404	0.4
555.15033	42.8
556.15381	6.3
556.23926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33909	0.6
58.83445	0.7
59.01250	21.6
61.98702	3.5
65.00176	0.7
68.99701	0.9
69.19147	0.6
69.19436	7.4
71.01267	4.0
73.02837	0.7
74.10316	0.5
75.00757	0.7
78.95779	0.8
85.02824	1.5
93.02834	0.5
93.03333	3.5
95.69622	0.7
101.02330	1.3
101.05956	5.3
108.02055	1.3
113.02322	0.7
113.10308	0.7
119.04891	0.7
121.02840	0.8
122.83706	0.7
131.04883	1.0
132.02075	5.1
136.49373	0.6
145.02908	0.8
149.05952	1.2
157.06512	2.4
159.04408	1.3
160.05115	0.7
163.03888	0.9
171.04469	0.6
171.10196	0.9
173.05952	4.3
174.06464	0.6
185.05975	3.9
187.03928	1.7
188.04695	0.8
189.05522	1.4
195.04446	2.1
201.05478	2.9
211.03912	1.9
211.13145	0.6
214.02647	0.9
215.03438	2.4
216.04187	1.9
217.04961	3.5
219.08179	3.1
229.05025	4.6
230.05746	1.5
235.07645	1.2
235.11250	0.6
239.03305	1.9
248.04875	0.8
249.09061	0.7
251.03482	1.7
262.06580	1.1
263.07120	11.4
264.07687	1.2
265.08640	0.8
266.02017	0.9
267.02945	11.0
268.03421	0.9
277.08652	5.2
278.05429	0.8
278.09167	1.0
279.02994	4.9
279.06516	1.1
279.10257	2.4
281.04611	1.0
291.06613	2.7
293.05038	0.7
293.08124	3.0
295.02530	2.5
304.07318	1.6
305.08047	1.1
307.06174	2.2
321.07562	3.4
322.08371	1.0
323.09091	3.2
349.06998	1.1
350.07932	100.0
351.08636	51.5
352.09039	4.3
373.20367	0.9
395.73462	0.6
427.21219	0.9
436.66464	0.7
495.13062	7.0
496.12982	0.8
511.26929	1.2
513.13959	1.6
555.14990	76.0
555.27716	3.6
556.15314	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	554.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04036	0.2
55.15952	0.3
59.01248	23.3
61.98699	0.6
63.63529	0.3
67.16496	0.2
71.52776	0.4
78.95773	19.4
80.96392	0.8
96.96827	0.3
101.05946	0.4
111.79655	0.2
121.02828	0.2
122.98438	0.6
134.97539	0.3
152.99478	3.2
168.04224	3.2
224.06871	7.5
224.08937	0.5
225.07175	0.4
234.20810	0.2
242.07883	1.6
255.23259	100.0
256.23618	7.3
273.18555	0.3
316.43585	0.3
480.30917	61.5
481.31247	6.7
481.38135	0.4
554.27118	0.9
554.34900	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86658	0.2
53.31570	0.2
55.85884	0.2
57.59295	0.2
59.01249	0.8
61.98689	0.2
63.41904	0.2
65.00196	0.7
68.99716	0.2
69.19863	2.0
71.01248	0.2
85.86060	0.2
93.03329	3.7
95.01245	0.2
95.04910	0.2
98.19834	0.4
101.05904	0.3
103.05404	0.2
105.06985	0.2
107.04930	0.4
108.02033	0.7
117.03363	0.2
121.02846	0.6
123.00832	0.3
123.04374	0.5
129.06976	0.6
130.04138	0.3
131.04900	0.9
132.02048	3.7
133.02844	0.6
136.98685	0.2
143.04903	0.4
145.02843	0.7
145.06451	0.3
149.05937	1.0
155.04919	0.5
157.06494	2.0
158.03593	0.5
159.04419	0.9
160.05165	0.2
161.02325	0.3
161.06024	0.3
163.03865	0.2
171.04454	0.4
172.05182	0.6
173.02426	0.3
173.05998	3.7
173.07492	0.2
174.03203	0.3
175.03922	0.2
176.00943	0.2
180.05721	0.3
183.04369	0.2
185.02351	0.3
185.05992	3.4
185.07510	0.3
186.03169	0.2
187.03902	1.2
187.07494	0.2
188.04700	0.8
189.01903	0.4
189.05464	1.5
189.99013	0.5
195.04478	1.1
195.08095	0.3
196.05165	0.6
198.03050	0.2
199.03900	1.2
201.01949	0.3
201.05455	2.7
202.06229	0.7
203.07072	0.3
207.08090	0.3
208.05249	0.4
209.09641	0.5
210.03152	0.2
211.03929	1.9
212.04626	0.4
213.01892	0.3
213.05510	0.6
214.02672	0.9
215.03430	2.4
216.04240	1.1
217.04985	3.5
218.05487	0.3
218.07445	0.3
219.08098	2.6
220.08795	0.4
221.06061	0.4
221.09666	0.4
223.04037	0.9
223.07494	0.5
224.04694	2.0
227.03357	0.6
228.04105	0.2
229.04993	3.6
230.05791	1.1
231.06367	0.3
233.09627	0.7
235.03941	0.4
235.07610	1.4
235.11243	0.6
236.04860	0.4
236.08302	0.5
237.05536	0.4
237.09108	1.2
239.03430	2.7
240.04117	0.6
247.07635	0.5
248.04834	0.9
249.05484	0.4
249.09244	1.0
251.03510	1.3
251.07101	0.6
251.10468	0.4
252.04094	0.4
253.01566	0.2
253.08673	0.5
255.02888	0.4
258.53574	0.2
260.08411	0.2
261.05591	0.4
261.09088	0.8
262.06345	1.1
263.07101	10.3
264.04385	0.5
264.07764	1.5
265.04959	0.6
265.08643	0.8
266.02246	1.0
266.09512	0.3
267.02945	10.0
268.03564	1.2
275.07074	0.7
276.04190	0.3
276.07770	0.2
277.05331	0.4
277.08630	4.7
278.06155	0.2
278.09164	0.9
279.02963	4.0
279.06622	0.9
279.10159	5.0
280.03592	0.9
280.10583	0.4
281.04532	0.5
288.07669	0.2
289.05060	0.5
289.08511	0.3
290.05911	0.3
291.03568	0.3
291.06622	3.0
292.03931	0.4
292.06921	0.3
293.04520	0.5
293.08139	1.7
294.08804	0.3
295.02414	2.0
295.09680	0.7
303.06558	0.9
304.07333	1.3
305.08087	1.6
306.05341	0.3
306.08792	0.5
307.06064	2.9
307.09747	1.3
308.06711	0.3
309.04007	0.3
321.07614	2.3
322.08380	1.2
323.09207	5.5
324.09622	0.5
333.07587	0.9
335.05502	1.0
349.07236	0.7
350.07913	78.5
351.08658	100.0
352.09018	9.0
393.09781	0.7
555.14990	63.5
556.15320	9.1
556.24091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.7
60.10386	0.4
61.98681	1.3
69.29531	2.7
69.29956	1.7
71.01239	0.8
77.40020	0.4
78.95310	1.0
78.95773	17.7
79.95605	3.9
96.95888	100.0
96.96817	24.9
98.02357	1.4
98.20598	0.9
101.02330	0.5
211.46577	0.5
252.42970	0.5
323.68655	0.5
401.31332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	21.1
61.98691	4.5
69.44820	13.9
71.01259	12.5
71.93485	1.5
73.02817	6.9
74.98947	1.5
83.01246	1.8
83.04920	1.6
85.02818	8.0
87.04396	2.2
89.02316	6.5
93.03336	3.3
94.06508	3.2
95.01240	1.5
96.95872	5.1
101.02313	8.4
103.03899	6.4
106.04124	3.1
107.03664	8.5
107.04910	2.5
108.02078	2.8
109.02831	1.8
111.00714	1.9
113.02322	6.0
116.92769	2.5
118.06443	1.7
119.03398	3.2
119.04954	2.9
120.04453	2.7
121.02847	2.2
122.06002	59.3
124.07551	2.2
132.04462	2.0
134.06006	1.5
136.36665	1.4
139.02643	3.9
148.66066	1.6
150.05618	1.6
152.01053	2.0
152.07072	100.0
153.07466	3.5
161.04523	1.8
163.03873	2.4
164.04477	2.1
167.03413	2.3
174.03133	5.3
175.11143	1.9
176.03479	1.9
178.05040	2.1
190.02626	2.0
190.05072	4.5
192.06560	3.0
201.37238	1.9
205.05006	2.1
206.02071	3.3
213.10277	7.3
223.06142	3.2
227.07211	2.3
237.10277	18.5
245.08159	48.5
245.10760	2.4
249.06731	1.7
251.04660	2.0
251.08168	5.1
253.09984	7.7
265.06250	7.8
265.09369	13.2
266.06961	12.8
266.09671	6.5
269.04556	3.1
278.06967	4.8
279.07739	4.0
280.08511	6.5
281.09277	59.8
282.09579	5.1
287.12946	1.8
293.09274	29.8
294.09827	3.7
305.13745	8.7
306.14322	10.8
307.15469	17.3
313.11929	10.2
323.15118	2.0
332.14868	3.1
348.14966	2.3
349.16400	3.4
350.16153	3.9
351.18521	2.3
355.13110	1.9
378.18124	2.1
402.18155	8.3
405.17868	1.8
408.17191	3.1
418.17960	3.2
446.17188	43.5
447.17700	4.8
467.21280	2.3
478.19843	63.6
479.19946	7.8
490.16074	18.0
491.16373	2.3
492.22104	1.8
510.22385	15.2
511.22153	5.4
522.18805	68.5
523.19305	11.0
531.26691	2.2
554.22534	35.2
555.23370	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	553.2441
Annotation	7-Isovaleroylcycloseverinolide
Peak:m/z	Relative Intensity
55.01750	1.9
59.01238	5.9
59.71583	1.5
61.98691	5.9
67.01755	8.1
68.99695	3.1
69.03345	1.7
69.84917	5.1
69.85330	2.6
71.01249	4.5
83.01255	6.6
83.04905	3.3
85.02824	53.4
95.01267	13.4
96.95868	2.0
97.02824	3.7
97.06449	1.7
99.00721	2.2
99.46080	1.4
101.05959	95.0
107.04909	3.9
108.02055	2.7
109.02837	12.6
111.00760	3.0
119.04919	3.0
122.03644	1.9
123.00783	2.2
124.01553	1.7
125.02370	4.7
127.00226	4.4
135.04420	21.0
147.08089	1.9
149.05994	1.8
151.03934	10.6
153.09262	1.4
162.03108	3.4
163.03893	17.1
171.10132	1.8
179.03362	3.3
180.04218	3.9
185.05997	1.7
191.03413	1.7
213.09201	1.8
221.09543	1.8
244.09985	1.4
252.33179	1.4
267.13898	4.8
275.14352	1.6
279.13800	1.8
280.88824	1.6
281.11725	2.2
293.15616	1.8
307.13428	1.9
319.16818	2.3
323.16861	1.9
335.20255	2.0
347.17313	2.5
349.14438	1.9
363.19626	9.1
381.20782	1.9
407.18619	7.9
425.19611	18.9
451.17511	2.8
455.24564	7.1
509.25424	70.3
510.25656	9.0
553.11505	2.7
553.24487	100.0
554.24707	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	553.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.5
69.22687	2.1
71.01252	0.6
73.02814	0.3
74.83186	0.2
83.04865	0.2
85.06474	1.5
87.04388	5.2
88.03173	0.2
89.02322	0.3
95.04889	0.7
97.06450	0.9
101.02310	0.5
102.74486	0.2
103.03887	0.3
105.06966	0.5
107.04911	0.4
119.04881	0.4
121.02794	0.3
121.06502	0.4
122.50530	0.2
125.06003	1.4
133.10141	1.4
135.04419	1.9
135.07988	0.2
136.05258	0.3
137.02296	0.2
137.05957	0.2
147.04459	1.2
147.08081	0.2
148.05109	0.3
149.05972	5.3
150.06744	0.9
151.07509	0.6
160.05168	0.5
161.05998	2.3
162.06749	0.9
163.07608	0.6
173.06030	0.4
175.03944	0.4
175.07555	6.0
176.04720	0.5
176.08318	2.3
177.05522	0.8
177.09129	8.8
178.09427	0.3
186.78502	0.2
187.03894	0.4
187.07538	0.3
188.04718	1.8
188.08234	0.2
188.82260	0.2
189.05508	1.9
189.09055	0.4
189.48470	0.2
191.10660	0.5
192.04210	0.5
201.09108	0.4
202.06319	0.6
202.09743	0.2
203.07082	1.5
203.10747	1.3
203.14372	0.7
204.07855	3.5
205.08624	1.6
205.12271	0.5
206.05771	0.2
208.25276	0.2
213.09158	0.2
214.09908	0.5
217.08643	0.2
217.12311	1.6
218.09464	0.8
219.10173	1.4
219.13777	1.2
219.92081	0.2
220.10999	7.7
221.11554	0.8
227.10922	0.2
228.11568	0.3
229.08592	0.4
229.12280	3.9
230.05850	0.2
230.12630	0.2
231.10214	10.5
232.10626	0.8
233.11707	1.2
234.12527	0.2
235.13387	1.2
243.13800	0.4
244.11049	1.0
245.08189	2.4
245.11772	0.5
246.08739	0.5
246.12581	2.2
247.09366	0.5
247.13361	18.0
248.13652	1.3
259.13425	0.5
261.14883	1.6
264.09976	1.4
269.15329	0.3
273.11288	2.3
274.11862	0.4
275.16534	1.3
287.13367	0.4
287.16510	2.4
289.14474	1.2
290.15253	0.2
291.12445	0.2
305.17554	18.3
306.17859	1.5
331.15500	4.9
332.15854	0.5
349.16541	100.0
350.16885	8.4
350.20389	0.2
479.15970	0.2
509.20187	0.3
553.22766	2.9
554.23218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01536	0.6
57.03319	3.5
58.00456	0.9
59.01245	27.8
60.78017	0.6
69.44928	5.2
71.01251	17.8
72.99152	1.0
73.02813	0.9
77.09117	0.6
81.03325	0.8
83.01202	0.9
83.04882	0.6
85.02815	19.5
86.03123	0.8
87.00718	1.2
89.02311	15.5
89.14650	0.6
91.11819	0.6
93.03324	2.0
95.01259	0.8
99.00723	0.7
101.02311	12.1
103.03885	43.0
105.56296	0.7
106.04116	12.4
107.04908	1.4
109.02828	0.8
112.22613	0.7
113.02327	7.6
117.05442	0.9
119.03385	8.7
121.02803	2.1
137.02341	1.9
137.09608	0.7
138.03133	2.8
138.34792	0.6
143.03374	1.1
145.05016	0.9
147.08017	4.3
149.02324	1.8
150.03067	2.2
152.07036	1.2
154.93352	0.6
159.08051	1.6
161.09624	24.2
162.09956	1.1
163.03888	0.8
163.07568	1.1
179.05550	1.2
182.02129	2.0
190.06183	0.6
191.07063	2.5
203.07062	3.3
204.07814	1.4
205.05136	0.9
205.08620	16.5
206.09044	1.1
219.06577	0.8
219.10205	0.8
225.12798	0.7
232.92570	0.6
233.08031	1.5
243.13921	1.1
247.09839	5.8
265.09256	83.7
266.09641	4.2
281.09299	0.8
287.12842	2.5
305.13922	24.1
306.14227	1.4
307.11636	0.8
319.15695	0.7
329.14160	1.1
347.14929	23.4
348.15240	2.2
377.16016	3.8
381.03146	0.7
407.17145	9.0
408.17358	0.6
411.13284	0.9
449.17993	1.9
467.18915	1.1
535.21906	1.9
553.22845	100.0
554.23151	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	553.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.8
58.00442	1.0
59.01248	20.6
69.65133	2.6
69.65565	2.4
71.01250	10.3
72.99165	1.3
73.02821	1.8
83.01253	1.0
83.04878	2.0
85.02296	0.8
85.02817	15.6
87.00745	1.7
89.02314	11.3
93.03313	2.8
101.02312	8.9
103.03886	29.3
106.04101	3.9
107.04917	7.3
108.02007	1.0
109.02814	0.9
110.90726	0.8
113.02324	6.8
119.03380	5.2
119.04879	1.3
121.02849	4.4
121.03602	0.8
122.03612	2.0
123.08034	2.0
133.02785	1.0
135.04404	0.7
137.02325	0.8
138.03110	1.3
143.03375	1.1
145.04941	1.0
147.08067	1.3
149.02312	3.9
150.03081	3.0
151.03918	1.7
161.04323	1.0
161.09561	1.2
163.03931	1.0
173.09500	0.8
175.00227	0.9
175.07425	1.0
182.02090	3.2
187.11186	4.2
189.05492	1.2
189.09062	0.8
190.02599	3.4
193.04961	1.5
205.04955	4.2
221.11781	1.6
225.12776	2.3
231.10231	2.8
231.13785	1.2
243.13850	7.1
261.14874	3.5
265.09253	66.6
266.09546	2.2
269.04489	1.9
269.12021	0.9
287.12869	9.2
305.13892	33.8
306.14297	2.7
347.14948	20.6
348.15207	2.3
349.16412	2.4
377.15921	2.5
407.17236	7.1
467.19302	1.0
509.20203	15.4
510.20544	1.9
535.21643	1.3
553.22864	100.0
554.23102	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	553.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36065	2.7
56.17881	2.3
57.03313	4.0
59.01250	63.3
61.98703	6.5
70.78816	2.2
71.01245	31.3
71.53114	5.0
72.99186	3.6
73.02820	16.7
74.98991	2.9
75.00733	5.0
83.01255	9.6
84.05270	2.2
85.02821	20.1
89.02334	12.5
93.03342	9.7
94.06519	2.4
95.01265	5.1
95.95122	2.9
96.95875	20.8
97.02831	2.9
101.02317	21.3
103.03903	8.1
106.04127	4.0
107.04909	11.1
108.02062	3.4
109.02859	2.6
111.00776	2.8
112.47024	2.3
113.02346	10.8
119.01267	2.7
119.03365	4.5
119.04925	10.3
121.02850	9.7
122.05993	18.0
122.75629	2.5
123.04379	5.9
125.02315	3.8
137.02345	5.2
140.76016	2.4
147.00854	2.7
149.02399	6.0
151.00272	3.3
152.01059	3.8
152.07072	27.6
153.01761	2.7
159.02795	2.3
159.07994	2.8
159.66441	2.4
160.03857	2.3
161.04475	3.9
161.05972	4.2
163.03940	9.3
164.04733	8.4
167.03447	4.3
175.00247	17.6
179.03468	3.5
179.07109	3.4
179.57741	2.6
181.05002	2.7
190.02646	46.4
191.03250	3.8
203.03432	9.1
205.04990	54.0
206.05496	2.9
223.06044	13.6
225.12845	7.1
237.10336	9.2
243.13847	4.5
253.09760	3.0
257.12277	2.5
265.06653	5.2
265.09351	18.2
266.07050	5.8
269.04593	4.2
281.09311	18.4
287.12939	10.0
291.10858	3.6
293.09271	14.0
304.05939	2.7
305.13956	100.0
306.14349	10.8
313.11871	4.7
315.07361	3.5
347.14862	18.7
349.16357	3.1
384.64008	2.6
402.18518	3.4
403.90933	2.9
411.13034	10.8
446.17242	17.3
449.18192	3.6
478.19669	23.4
490.16360	4.7
509.20361	25.7
510.21747	6.1
522.18671	30.6
535.21844	8.7
553.22961	90.5
553.31653	4.9
554.22919	17.9
579.16980	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	553.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	0.6
57.03309	1.1
59.01243	9.7
61.98684	1.3
69.03328	0.4
69.41443	2.8
71.00896	0.8
71.01253	7.6
73.02818	3.4
83.01246	1.7
85.02810	4.1
85.06449	0.8
87.00766	0.9
87.04373	5.9
89.02299	1.5
93.03310	0.8
95.01212	0.6
95.04892	0.5
96.95863	0.7
97.06476	0.8
101.02323	5.5
103.03896	1.0
108.02044	0.7
113.02326	4.1
114.24422	0.4
119.04910	0.8
121.02792	0.9
121.06522	0.6
122.03616	0.7
125.05952	1.6
133.10086	1.2
135.04416	2.3
137.05969	1.1
147.04384	1.3
149.02280	0.6
149.05968	5.2
150.06715	1.4
151.07486	0.6
161.04433	3.8
161.05952	1.9
162.06746	1.2
163.07478	1.3
173.06065	0.5
175.03970	0.6
175.07552	5.6
176.04683	1.1
176.08281	1.1
177.05472	1.2
177.09113	6.9
188.04692	1.8
189.05417	1.7
190.02762	0.6
191.10722	0.5
202.06326	0.8
203.07062	1.8
203.10651	1.4
203.14359	0.6
204.07828	3.5
205.04965	0.5
205.08586	2.2
205.12285	0.6
217.12277	1.6
218.09364	0.9
219.10234	1.1
219.13789	1.4
220.10994	9.0
221.11568	1.2
229.08727	1.0
229.12296	3.5
231.10219	10.9
232.10655	0.7
233.11798	0.8
235.13319	0.7
244.10913	1.2
245.08110	4.0
245.11784	0.9
246.08784	0.8
246.12610	1.8
247.13362	17.7
248.13675	1.5
259.13345	0.7
261.14899	1.2
264.09964	2.3
269.15524	0.5
273.11276	3.5
275.16470	1.4
287.13159	0.5
287.16492	1.8
289.14258	2.1
305.13962	3.2
305.17490	19.0
306.17844	1.6
331.15414	6.7
347.14975	0.8
349.16513	100.0
350.16791	8.6
449.29007	1.0
493.20773	16.9
494.20865	2.1
509.20285	3.2
511.21860	2.3
553.23083	8.5
554.23285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	43.2
69.57720	13.2
69.58127	4.6
70.41003	2.5
71.01249	25.4
72.60966	2.9
72.99157	6.9
73.02820	21.5
80.96383	6.0
81.03279	2.9
83.01247	8.3
85.02796	8.4
87.00744	3.5
89.02306	4.4
90.16167	2.6
93.03339	3.8
98.20556	3.5
101.02323	21.0
103.03891	6.8
106.04115	15.9
107.04912	4.3
108.02050	3.7
111.00743	3.2
113.02312	8.5
121.02796	4.3
125.02333	3.4
135.04375	3.5
137.02327	3.4
138.03038	4.5
161.09619	27.5
167.03375	3.1
182.01923	2.9
205.05040	3.5
205.08630	16.4
242.25488	3.0
243.13940	4.3
245.78670	3.1
251.40753	2.9
265.09311	8.8
287.12802	10.1
305.13919	100.0
306.14203	8.4
347.14908	11.6
403.47824	2.8
438.51459	3.1
509.13361	4.4
509.20300	48.3
510.20953	4.8
553.22943	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	553.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.2
57.20775	0.6
58.00457	0.9
59.01251	20.5
71.01256	12.2
71.53233	1.0
73.02810	1.2
83.04884	1.7
85.02823	16.1
87.00753	1.0
89.02324	11.5
93.03332	1.7
95.01246	0.7
96.95858	0.7
101.02318	10.3
103.03201	1.3
103.03888	25.9
105.60799	0.5
106.04124	3.5
107.04917	10.0
108.02051	1.4
109.02802	2.6
111.00747	0.7
113.02308	4.9
116.67593	0.5
117.03320	0.7
117.05449	0.7
119.03413	5.5
119.04928	1.9
121.02848	6.5
122.03596	2.4
123.08035	1.0
130.38158	0.6
135.04420	0.7
137.02351	1.1
138.03139	1.0
143.03363	1.1
145.04904	0.9
149.02303	3.9
150.03116	3.2
151.03902	3.6
159.04356	0.8
161.04469	0.6
161.05984	0.8
161.09593	0.9
163.03889	1.8
165.01915	0.9
173.09668	1.3
175.00331	1.3
175.07539	1.9
179.05511	0.8
182.02116	2.0
184.78363	0.6
187.07567	0.7
187.11214	3.4
189.05469	0.9
190.02652	4.0
191.10612	0.7
193.04982	3.0
201.05516	1.7
203.07088	0.9
205.04988	4.9
205.08665	1.3
219.06586	1.3
223.05949	2.0
225.12779	1.9
231.10303	3.0
231.13817	1.9
233.08188	0.8
243.13899	12.9
244.14233	1.1
247.08089	0.9
261.14938	6.7
265.09280	62.6
266.09583	2.7
269.11697	0.9
273.11404	0.9
275.09464	0.7
287.12860	8.7
288.13104	1.4
305.13940	35.9
306.14304	2.7
329.14050	0.7
347.14957	19.7
348.15140	2.0
377.16043	2.5
407.17078	6.8
408.17249	1.0
449.18066	0.9
509.20294	24.2
510.20602	3.5
527.91620	0.7
534.03369	0.6
553.22882	100.0
554.23267	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	553.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09202	0.7
55.01757	1.1
57.03300	1.2
58.69180	0.8
59.01250	8.3
61.98693	0.9
65.03826	1.2
67.01712	1.0
69.03318	1.7
69.42240	7.4
71.01253	7.6
73.02820	3.2
75.00750	1.4
79.01736	1.2
80.03288	0.9
81.03315	3.0
83.01250	9.4
85.02811	3.3
87.00739	1.6
89.02323	3.3
93.03329	2.8
95.01254	3.3
97.02810	5.1
99.00751	1.8
101.02314	3.9
107.01262	2.2
107.04900	2.0
108.02074	2.3
109.02828	4.1
111.00772	1.5
111.04399	4.3
113.02313	4.8
119.03427	1.4
119.04898	10.0
121.02828	12.0
123.00754	2.1
123.04385	2.4
125.02338	9.9
134.03647	1.1
135.04393	1.2
137.02370	4.6
139.03908	11.5
141.03316	1.5
143.04872	1.4
145.02844	19.8
146.03212	0.8
147.04451	2.0
149.02385	2.0
151.00250	2.0
151.03903	1.6
152.01070	1.6
153.05461	0.8
155.03413	1.0
155.08568	1.2
156.05748	1.0
157.06544	4.9
159.04507	1.6
161.05968	2.7
163.00310	1.9
163.03918	1.6
164.04590	0.8
165.01817	3.6
167.03400	17.2
169.06467	2.1
171.07858	0.9
177.01898	1.1
179.03343	2.1
181.05025	1.4
181.06502	1.3
182.57925	0.9
183.04482	1.2
184.05173	2.4
185.06007	8.4
187.04030	1.2
193.01447	1.7
195.07983	1.2
197.04456	6.6
197.06038	4.1
199.07533	4.2
201.05479	3.3
203.07082	2.2
209.04485	2.0
211.07625	1.4
213.05696	0.9
213.09152	2.3
223.07741	4.8
225.05482	3.3
227.03546	1.2
227.07230	4.4
229.05009	9.5
235.02397	1.2
237.06110	1.1
239.07188	2.0
241.04945	4.1
241.08582	2.3
243.06569	1.4
251.07045	3.3
255.06615	4.0
267.06430	0.9
269.08136	1.9
271.06110	18.2
272.06427	2.2
281.04492	1.4
283.06110	7.3
284.06488	1.2
285.07605	2.0
295.05991	1.3
297.07523	2.1
301.07214	6.5
311.05609	1.1
313.07162	100.0
314.07452	6.2
325.07098	4.5
343.08182	68.7
344.08493	6.7
355.08118	4.4
359.28607	0.9
373.09293	19.8
374.09521	2.2
385.09052	2.1
397.09149	1.6
415.10263	8.5
433.11411	18.3
434.11716	1.5
445.11362	5.7
463.12439	3.5
526.52502	0.9
553.15698	10.4
553.23346	2.0
554.15411	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04335	0.5
55.01743	2.3
57.03311	2.2
58.00457	0.9
59.00961	1.1
59.01249	18.5
61.98679	1.4
69.38177	0.5
69.62717	2.4
69.63137	0.7
71.01251	32.4
72.99166	2.2
73.02814	10.7
74.98969	0.5
75.00740	1.9
83.01251	5.0
85.02821	16.8
85.99957	0.8
87.00744	10.9
89.02312	7.2
93.03312	1.1
95.01260	2.7
95.09344	0.5
97.02831	1.1
99.00755	4.5
101.02315	21.7
103.03909	0.5
103.60062	0.5
111.00726	2.3
113.02328	12.9
119.03357	2.1
121.02816	0.6
125.02288	0.9
128.93333	0.5
129.01831	2.1
131.03355	0.6
134.03598	1.6
137.02319	0.5
143.03413	1.1
149.02338	0.9
150.03091	1.3
151.03883	0.7
159.02925	3.9
161.04469	7.9
165.05472	2.0
177.38858	0.5
178.02592	1.1
193.05049	2.8
195.06514	0.8
227.16467	4.4
235.06056	0.8
288.77829	0.5
342.69046	0.5
389.12616	1.2
389.21750	16.3
390.22232	0.8
391.89001	0.5
433.20663	0.8
461.24039	0.8
551.27075	100.0
552.27460	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	551.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30397	0.2
55.01736	0.4
57.03316	1.0
58.02836	0.2
59.01250	10.3
61.98690	0.7
69.39139	1.5
71.01250	3.3
72.99161	0.4
73.02842	1.2
75.00747	0.5
81.03317	0.7
83.01253	0.4
83.04893	0.2
84.02065	0.3
85.02821	5.0
87.00729	0.5
89.02303	0.8
93.03337	0.7
95.01281	0.3
95.04905	0.3
98.19807	0.5
99.00742	0.3
99.04400	0.5
101.02327	2.0
103.03886	5.5
107.04880	0.3
108.02044	0.7
109.02835	0.3
111.00755	0.4
113.02327	1.0
115.00227	0.5
118.60047	0.2
119.03371	0.6
119.04911	4.2
120.99521	0.2
121.02831	1.0
123.04417	0.2
125.02309	0.5
130.04117	0.5
134.03613	0.6
137.02304	0.6
143.03336	0.3
143.04919	1.1
145.02843	2.7
146.03636	0.4
147.04442	0.5
149.02310	0.6
149.05943	0.4
150.03061	0.3
151.00209	0.2
151.03932	0.3
152.01018	0.7
152.07137	0.2
153.01663	0.2
157.06505	0.4
159.08054	4.1
160.04036	0.3
161.02333	0.4
161.04486	0.4
161.05943	0.5
162.03149	0.6
163.03917	2.6
163.07362	0.2
164.04625	0.5
173.02293	1.4
174.03134	11.1
175.03909	5.1
175.07538	0.3
176.42496	0.2
178.02655	0.4
179.03423	0.3
183.08075	0.7
186.06752	0.4
187.03941	0.2
189.09016	0.3
190.02692	0.4
199.07599	0.9
201.09201	1.6
203.07079	4.8
205.04872	0.2
206.02133	7.4
207.02542	0.4
217.08635	1.6
218.09154	0.2
222.05153	0.3
223.06053	0.5
227.07083	6.2
228.07446	0.4
241.05045	0.3
245.08145	100.0
246.08511	7.5
246.11125	0.4
263.65814	0.2
265.09180	0.5
267.06485	0.2
268.07358	0.3
269.07733	0.2
273.15012	0.3
283.09698	0.4
284.10236	0.3
285.11240	0.3
303.12311	3.3
317.13751	1.2
335.12955	0.2
345.13367	2.2
431.26697	0.3
465.26907	0.6
491.32330	0.6
507.20544	0.4
507.27991	3.4
508.28348	0.6
519.19684	0.5
534.19678	0.3
551.21381	20.6
551.30328	1.7
552.21753	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	551.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30397	0.2
55.01736	0.4
57.03316	1.0
58.02836	0.2
59.01250	10.3
61.98690	0.7
69.39139	1.5
71.01250	3.3
72.99161	0.4
73.02842	1.2
75.00747	0.5
81.03317	0.7
83.01253	0.4
83.04893	0.2
84.02065	0.3
85.02821	5.0
87.00729	0.5
89.02303	0.8
93.03337	0.7
95.01281	0.3
95.04905	0.3
98.19807	0.5
99.00742	0.3
99.04400	0.5
101.02327	2.0
103.03886	5.5
107.04880	0.3
108.02044	0.7
109.02835	0.3
111.00755	0.4
113.02327	1.0
115.00227	0.5
118.60047	0.2
119.03371	0.6
119.04911	4.2
120.99521	0.2
121.02831	1.0
123.04417	0.2
125.02309	0.5
130.04117	0.5
134.03613	0.6
137.02304	0.6
143.03336	0.3
143.04919	1.1
145.02843	2.7
146.03636	0.4
147.04442	0.5
149.02310	0.6
149.05943	0.4
150.03061	0.3
151.00209	0.2
151.03932	0.3
152.01018	0.7
152.07137	0.2
153.01663	0.2
157.06505	0.4
159.08054	4.1
160.04036	0.3
161.02333	0.4
161.04486	0.4
161.05943	0.5
162.03149	0.6
163.03917	2.6
163.07362	0.2
164.04625	0.5
173.02293	1.4
174.03134	11.1
175.03909	5.1
175.07538	0.3
176.42496	0.2
178.02655	0.4
179.03423	0.3
183.08075	0.7
186.06752	0.4
187.03941	0.2
189.09016	0.3
190.02692	0.4
199.07599	0.9
201.09201	1.6
203.07079	4.8
205.04872	0.2
206.02133	7.4
207.02542	0.4
217.08635	1.6
218.09154	0.2
222.05153	0.3
223.06053	0.5
227.07083	6.2
228.07446	0.4
241.05045	0.3
245.08145	100.0
246.08511	7.5
246.11125	0.4
263.65814	0.2
265.09180	0.5
267.06485	0.2
268.07358	0.3
269.07733	0.2
273.15012	0.3
283.09698	0.4
284.10236	0.3
285.11240	0.3
303.12311	3.3
317.13751	1.2
335.12955	0.2
345.13367	2.2
431.26697	0.3
465.26907	0.6
491.32330	0.6
507.20544	0.4
507.27991	3.4
508.28348	0.6
519.19684	0.5
534.19678	0.3
551.21381	20.6
551.30328	1.7
552.21753	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	551.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23139	0.7
54.28121	0.8
55.01763	1.2
57.03317	5.7
58.00441	1.1
59.01250	24.6
60.01563	1.0
61.98692	3.5
67.54565	0.7
67.58397	0.7
67.71342	0.8
71.01250	10.1
71.50757	0.7
72.01608	0.9
72.99186	2.0
73.02813	4.1
79.05392	0.9
83.01279	0.9
85.02824	12.4
87.00749	1.8
89.02322	3.8
93.03324	2.8
96.48523	0.8
99.00775	0.9
99.04401	5.1
101.02309	6.3
103.03894	37.2
106.04130	24.8
107.04924	13.1
108.02034	0.9
113.02330	3.3
117.05522	0.9
119.03383	1.6
119.04910	4.1
121.02850	4.0
121.06481	4.1
123.04353	1.0
125.02370	1.2
135.08076	5.7
137.02324	1.8
138.03139	5.7
143.04935	0.9
145.02802	0.8
146.07265	1.9
147.08075	7.8
149.02361	2.2
150.03131	1.4
159.08047	2.1
161.04480	0.8
182.02242	1.2
183.08043	2.6
211.11095	0.9
215.14362	75.2
216.14722	6.6
227.07231	1.3
239.10754	1.4
241.12303	9.9
242.12566	1.2
247.07973	1.1
259.13376	57.1
260.13678	5.4
265.09311	8.0
267.10355	1.0
273.14789	1.2
285.11359	5.8
299.04678	0.9
301.14548	4.5
303.12491	5.4
303.15469	1.3
345.13474	2.2
429.12714	1.5
465.17465	1.0
489.21542	1.7
490.34750	1.9
491.34875	2.1
507.22473	100.0
508.22934	13.8
508.35312	0.9
533.20569	3.6
537.94629	0.9
551.21106	16.2
552.21930	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	551.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.9
59.01245	5.6
61.98702	4.5
70.90900	2.6
73.54146	0.8
73.74384	0.8
78.28640	1.0
79.81069	1.0
83.01260	2.8
93.03336	1.2
96.95934	1.2
98.20199	1.0
106.86383	0.9
121.68413	1.0
123.04385	1.0
137.02386	1.9
164.04688	1.8
164.62363	1.0
166.02612	2.5
171.10100	2.5
175.07588	1.3
176.01184	1.0
177.12791	1.6
179.03412	14.0
180.04028	1.1
191.03445	5.9
192.04156	3.4
193.04652	1.0
205.05003	1.2
217.15921	1.2
233.08206	1.5
241.17975	3.0
259.16995	7.2
261.14859	6.7
265.08682	1.4
303.15979	100.0
304.16336	9.3
327.15872	1.8
345.17136	1.7
374.83267	0.8
507.21667	5.1
508.22577	1.2
518.94550	1.2
551.25006	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90736	1.0
59.01243	7.2
61.98700	4.4
71.52013	1.3
71.52477	1.5
81.03327	2.1
83.01263	3.3
86.21930	1.0
88.70762	1.1
89.02294	1.0
122.08965	1.1
122.29318	1.0
123.04388	4.7
137.02368	1.9
138.03116	1.6
151.03906	1.5
155.95888	1.1
158.46446	1.1
166.02623	11.4
171.10129	2.1
179.03401	17.2
188.81328	1.0
191.03412	4.7
192.04079	1.6
203.03471	1.6
205.04849	1.8
217.16014	1.5
219.06499	1.8
233.08139	3.3
233.31975	1.2
234.08618	1.4
259.17017	13.8
260.17453	1.1
261.14896	1.9
277.66678	1.0
291.37485	1.1
303.15988	100.0
304.16403	7.2
327.15948	16.9
328.16446	1.3
345.16992	9.2
357.16858	1.7
488.31943	1.2
507.22226	13.8
508.22778	2.3
551.31116	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2133
Annotation	Tinosposinenside A
Peak:m/z	Relative Intensity
57.03309	4.9
59.00959	5.6
59.01249	100.0
59.23354	2.7
60.01571	4.6
61.98697	49.2
68.56083	2.8
70.39140	9.9
71.01252	30.8
71.47532	2.8
73.02809	13.5
78.84534	2.4
78.95750	3.2
81.69289	2.8
83.01241	5.7
85.02806	9.2
87.00793	4.5
87.04393	3.1
89.02304	6.9
96.95878	3.3
98.07664	2.8
101.02306	18.5
103.03885	7.1
113.02321	9.5
119.03374	3.9
119.04942	5.4
121.02803	7.9
123.04427	2.6
142.11279	3.0
147.04308	3.1
149.02315	12.0
151.00237	3.6
161.04404	4.9
164.04649	5.0
190.02567	3.9
196.03665	8.6
205.04968	5.6
265.09198	8.1
285.14938	12.8
287.16574	16.1
289.14410	6.0
303.12378	6.3
331.15314	4.9
391.17502	4.8
465.21085	10.3
490.34592	5.5
491.34088	3.6
507.22354	44.5
508.22043	4.6
508.35239	3.6
551.20972	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.7
57.03307	1.1
59.01248	42.0
60.01580	1.7
61.98688	1.4
67.01764	0.5
69.31246	4.1
71.01255	9.8
71.34492	0.4
71.38544	0.5
72.01584	0.7
72.99178	0.7
73.02810	5.0
83.01254	2.2
85.02819	4.8
85.99956	0.5
87.00745	0.9
89.02309	2.6
93.03292	0.5
95.01258	1.2
97.02815	0.6
98.19724	0.8
100.95023	0.6
101.02308	5.4
103.03872	0.9
109.02833	1.0
111.00734	0.6
113.02325	3.3
115.03878	0.6
119.03365	0.8
119.04936	0.7
121.02851	3.5
122.03593	1.4
125.02339	0.7
133.02844	2.6
139.07535	1.2
143.03392	0.6
153.09108	1.1
157.06482	2.2
159.04399	3.9
161.04424	0.7
173.05983	1.7
173.09633	1.7
177.01820	1.7
189.05502	1.0
189.09120	1.1
201.05507	0.9
203.03464	5.2
204.04103	1.5
217.04944	1.2
218.05774	2.3
241.08658	0.8
241.12326	3.5
243.13896	3.0
259.13339	6.5
267.10291	1.3
269.11859	3.1
285.11331	1.4
287.12881	7.8
303.12360	1.1
329.13882	4.1
330.14114	0.7
346.30350	0.6
350.46820	0.5
403.17590	0.9
421.18600	2.6
447.16479	1.4
465.17682	6.1
490.34918	2.8
491.34970	1.4
507.18668	100.0
508.18976	12.7
508.35464	0.6
551.22247	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	551.1197
Annotation	Luteolin 7-(6''-p-benzoyglucoside)
Peak:m/z	Relative Intensity
56.95484	0.6
58.00444	0.7
59.01247	31.1
60.01573	1.4
61.01647	0.6
61.98702	29.1
63.02264	17.7
65.00195	11.2
69.53324	0.7
71.01248	5.1
71.52551	0.9
72.99169	0.7
73.02808	1.8
78.95779	2.0
83.01256	14.6
85.02808	1.9
87.00740	0.9
89.02314	1.6
93.03333	2.4
95.01256	2.2
95.04943	0.9
97.02797	0.8
99.00748	0.8
101.02315	3.8
101.37769	0.6
103.03916	1.0
106.71173	0.5
107.01266	28.6
108.02110	1.2
109.99912	0.7
113.02314	2.5
117.05468	0.7
119.03398	0.9
119.04895	1.8
121.02847	4.4
123.00779	2.0
123.04395	2.1
132.02045	2.1
133.02892	0.9
135.00806	0.7
136.01552	0.8
137.02359	1.3
143.04900	1.2
145.02846	1.7
147.04424	0.7
149.02373	1.3
149.99544	1.3
151.00270	58.3
152.00618	1.6
159.04549	0.8
163.00323	3.2
164.01085	5.0
165.01830	1.0
169.01341	18.6
169.06316	0.7
171.04445	0.8
175.00343	1.1
185.05952	2.1
190.99896	0.6
192.00560	1.0
193.01273	0.9
197.06047	0.9
199.04031	0.9
201.05536	0.7
205.01382	1.5
205.24678	0.7
211.03957	1.3
213.05553	3.7
217.04871	0.7
227.03426	1.1
229.05042	4.9
239.03424	0.7
240.04153	1.2
241.05048	3.2
255.02995	2.2
257.04517	13.2
269.04617	1.1
279.10770	1.5
283.02484	1.3
284.03250	44.5
285.04016	65.7
286.04407	5.2
289.14508	0.7
297.04187	0.9
303.12152	1.1
327.05106	1.3
346.30457	0.8
490.34781	3.9
491.34717	1.3
508.35941	1.9
550.28296	0.9
551.11963	100.0
551.25458	2.6
552.12372	14.3
552.20874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80451	0.7
59.01248	20.0
61.98700	2.1
63.78654	0.8
71.01246	3.7
71.52981	1.4
85.02839	1.1
89.02322	1.8
96.95891	1.0
101.02307	3.4
113.02290	1.9
118.55252	0.7
119.03323	1.0
121.02857	2.1
125.50342	0.7
133.72054	0.8
158.79736	0.7
161.04558	0.8
161.79271	0.8
215.47992	0.8
235.08200	1.6
253.09251	14.8
253.21692	100.0
254.22021	7.4
263.01364	0.8
264.73602	0.9
277.19296	0.8
456.58963	0.9
484.73795	0.9
549.09875	1.0
549.32550	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	549.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20502	0.2
50.73336	0.2
52.90133	0.2
55.01754	0.8
57.03334	1.4
59.01248	100.0
60.01584	0.9
61.98700	1.5
63.13666	0.2
69.03318	0.3
69.23272	2.4
71.01252	10.7
72.99185	0.3
73.02818	2.9
74.26130	0.2
75.00700	0.2
81.03320	0.3
83.01252	2.1
85.02819	6.6
85.99990	0.2
87.00745	0.5
87.04401	0.9
89.02308	1.6
95.01257	1.5
97.02842	0.7
99.00755	1.5
101.02317	5.9
103.03876	0.4
111.00742	0.5
112.01530	0.4
113.01533	0.5
113.02326	8.9
115.03911	0.5
119.03394	0.6
124.01543	0.3
125.02344	0.9
135.04385	0.3
137.02298	0.4
143.03397	2.1
149.06017	0.7
151.07521	1.2
157.12242	0.4
158.18854	0.2
159.02861	0.6
161.04449	3.0
175.07565	0.4
177.09126	0.5
203.10573	0.2
204.07841	0.2
205.08597	0.6
220.10974	1.0
221.11781	3.6
222.12025	0.4
223.20691	0.3
231.10146	0.7
245.08031	0.3
246.12564	0.3
247.09650	0.5
247.13409	1.6
264.09839	0.3
265.10818	0.2
283.22635	0.3
297.24298	0.3
299.25897	1.7
300.26379	0.3
305.17581	3.1
306.18024	0.4
307.18146	0.4
331.15585	1.2
345.30066	8.1
346.30515	0.7
349.16516	14.9
350.16806	2.0
351.17020	1.3
385.02396	0.3
385.14215	0.4
386.14560	0.4
387.13977	9.1
387.31155	0.3
388.14273	1.1
441.32153	0.4
453.31763	0.3
459.33063	0.4
489.34280	34.8
490.34671	4.7
507.35336	14.0
508.35806	1.5
511.22147	1.8
511.28784	0.4
513.22491	0.4
549.08496	0.3
549.19336	0.7
549.36383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16993	1.0
57.94918	1.0
59.01250	26.0
61.98697	2.4
69.29150	8.8
71.01255	5.3
74.56602	1.0
89.02310	3.7
101.02310	3.6
113.02382	2.1
116.75932	0.9
121.02843	4.5
159.38789	1.0
161.04437	1.6
199.16502	1.0
235.08318	2.3
253.09245	13.8
253.21689	100.0
254.22055	5.9
291.03366	1.0
307.64621	1.1
477.30020	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	549.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48597	1.1
59.01245	27.1
61.98693	2.4
67.14008	1.2
71.01258	8.2
71.52608	1.2
72.99194	1.3
77.02766	1.0
80.16712	1.1
85.02842	1.7
87.00772	1.1
89.02338	1.5
90.17792	1.1
101.02314	2.7
113.02347	1.7
121.02864	9.5
122.97576	1.1
161.04465	1.7
200.81117	1.2
206.82315	1.1
217.00371	1.2
235.08235	1.9
253.09312	12.1
253.21689	100.0
254.21960	6.1
307.26477	1.8
474.64282	1.2
477.30124	7.4
520.41382	1.2
549.32233	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.2
57.03321	6.5
58.00489	0.6
59.01248	100.0
60.01590	2.0
60.93856	0.5
61.01693	0.7
61.98700	8.0
69.03320	0.9
69.27094	4.2
71.01250	16.0
71.04914	0.7
71.78938	0.4
72.01583	0.4
72.99188	1.3
73.02815	4.7
74.66952	0.4
75.00740	0.6
83.01250	4.1
85.02817	13.9
87.00762	1.8
88.98703	0.4
89.02308	3.4
95.01271	2.2
97.02831	1.8
99.00779	2.2
101.02318	10.3
101.02920	0.7
101.05974	1.6
103.03882	18.5
108.02020	0.5
109.02829	0.6
111.00769	1.3
113.02331	8.0
113.09595	0.8
114.02723	0.8
119.03456	1.1
121.02847	0.4
125.02338	1.9
143.03418	2.9
152.01108	0.9
153.01805	0.6
161.04491	2.3
177.01909	0.9
185.11769	1.3
213.18478	1.3
221.19035	17.0
222.19379	1.0
239.20143	1.6
247.08110	1.0
265.09283	3.4
265.18057	9.7
266.18466	0.6
281.21198	2.6
283.19138	17.9
284.19507	1.3
299.25894	1.5
301.20181	47.4
302.20593	3.7
315.21768	3.9
325.20206	8.2
326.20651	1.0
343.21274	2.1
345.30045	7.4
403.23108	0.6
419.56644	0.5
453.32568	0.6
459.33194	0.9
463.25546	1.4
465.21378	2.0
487.32352	0.5
488.33163	1.0
489.34241	39.2
490.34793	4.5
506.34039	1.2
507.35263	21.0
508.35803	2.1
531.28143	0.9
548.68701	0.5
549.29114	74.6
550.21289	0.6
550.29437	10.2
559.01581	0.5
577.83130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.7
58.00460	0.6
59.01246	26.5
60.01613	0.4
61.98697	1.0
69.03303	0.6
69.19017	3.9
71.01247	11.2
72.99166	0.6
73.02813	11.6
75.00759	0.5
75.63511	0.3
81.75906	0.3
83.01246	3.3
85.02818	6.3
87.00739	0.9
87.04384	47.5
88.04713	0.9
89.02314	2.0
93.03329	2.3
95.01214	0.6
97.02807	0.4
101.02309	8.7
103.03893	1.4
108.02021	0.6
108.04414	0.4
113.02328	3.4
119.03358	0.7
119.04951	0.6
121.02867	0.5
125.02295	0.6
130.04120	0.8
131.03371	0.9
136.05226	0.5
136.07532	0.3
137.02361	2.3
137.05983	1.8
143.03404	0.9
145.02831	2.5
147.04410	0.4
152.01041	0.4
155.03421	0.5
159.04442	0.5
161.02327	0.7
161.04437	2.0
161.09586	0.4
163.03905	0.5
173.02367	1.3
174.03134	13.0
175.03897	5.1
175.11282	0.5
178.02559	0.7
180.04185	0.5
181.04993	0.6
185.02332	0.3
186.06808	0.4
187.11195	0.6
189.09229	0.4
198.03140	0.5
199.07535	1.8
201.09111	1.8
206.02112	8.9
212.04782	0.5
227.07066	5.9
239.07065	0.6
240.07802	0.8
241.05025	0.7
241.08569	1.0
245.08144	100.0
246.08476	5.8
249.10928	0.4
255.06749	0.7
256.07339	1.1
257.08035	0.7
257.12842	1.0
263.99445	0.3
265.09198	0.3
269.04657	0.4
269.11850	1.3
271.09747	0.9
288.93799	0.4
301.11588	0.6
305.17548	0.5
307.10233	1.0
327.12305	1.8
345.26208	0.4
349.16531	1.1
387.14111	0.7
462.57971	0.4
541.10962	0.3
549.20691	1.6
549.30005	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00059	17.8
53.31615	17.5
57.18156	16.0
59.01237	68.4
59.23446	19.4
59.97750	17.8
61.98709	37.6
69.22602	96.0
69.23032	100.0
112.57170	20.1
137.55232	18.5
183.72122	19.1
190.04845	21.3
333.83884	19.1
362.25562	20.3
369.70337	17.6
402.54221	19.6
447.53265	21.8
541.14526	18.2
574.96667	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	549.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84906	5.0
53.96170	4.8
59.01250	100.0
61.98705	17.3
69.20960	58.8
69.55720	5.6
71.01259	6.4
85.02824	9.1
86.52570	5.5
98.20615	10.6
101.02248	5.9
111.98516	4.9
119.04880	10.5
121.02840	9.1
139.55640	4.8
147.42598	5.2
175.03922	30.5
201.01884	53.7
245.08406	6.2
246.33249	5.2
302.35712	5.3
303.08493	8.8
461.12247	12.9
489.34186	7.7
490.06152	5.8
549.17474	11.8
549.30701	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	549.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95605	0.2
55.01766	0.4
56.79306	0.3
57.03315	0.8
57.37103	0.3
58.00443	0.3
59.01246	30.3
60.01580	0.6
60.85947	0.2
61.98691	1.3
62.70697	0.3
69.03326	0.3
69.33673	1.8
69.34093	0.9
71.01248	10.4
72.99172	0.6
73.02817	10.4
74.71044	0.3
81.03326	0.4
83.01254	3.4
85.02818	6.0
87.00747	1.3
87.04385	47.1
88.04720	0.7
89.02319	2.3
93.03332	5.7
95.01283	0.7
97.02802	0.4
98.19839	0.7
99.00771	0.7
101.02316	9.5
103.03859	1.4
107.04910	0.6
108.02036	1.2
108.04459	0.3
109.02865	0.3
111.00787	0.5
113.02328	2.2
119.03378	1.0
119.04900	1.3
121.02826	0.9
123.04395	0.7
125.02293	0.6
131.03413	0.8
131.04919	0.5
135.04414	0.7
136.07588	0.5
137.02338	6.9
137.05963	2.5
143.03365	0.7
145.02821	2.3
146.03494	0.3
147.04385	0.6
149.02341	0.4
149.04443	0.7
151.00279	0.5
152.01025	1.0
153.09109	0.4
155.03372	0.4
159.21622	0.3
161.02374	0.6
161.04469	2.0
161.09572	0.4
161.13199	0.5
167.03488	0.3
173.02382	1.4
174.03122	11.9
175.03902	5.0
175.10999	0.4
180.04131	0.3
181.04956	0.6
183.08078	0.7
187.11189	1.0
189.09172	0.8
198.03191	0.8
199.07622	1.6
201.09093	2.2
206.02118	8.5
207.10188	0.6
213.01894	0.4
223.13420	0.5
227.07037	6.7
231.09865	0.3
239.07054	0.6
240.07758	0.6
241.05101	0.4
241.08643	1.0
245.08144	100.0
246.08467	6.4
255.06454	0.5
256.07364	1.0
257.08301	0.5
257.12891	3.1
265.09360	0.4
269.04486	0.4
269.11819	1.4
271.09677	1.4
283.13461	0.6
301.11917	1.7
307.10278	1.3
327.12369	1.4
343.79428	0.3
349.16425	0.6
387.14401	0.3
401.14560	0.4
411.16501	0.7
429.25589	0.3
463.01892	0.3
511.21771	0.3
549.20386	4.5
549.29877	0.9
550.19989	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0885
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.77542	0.5
52.68030	0.5
57.03285	0.6
57.09713	0.6
59.01251	7.0
61.98714	1.2
65.00191	1.4
70.70580	0.6
70.70911	1.4
71.01255	3.6
73.02819	1.0
76.07961	0.6
76.38029	0.6
83.01266	1.1
85.02837	1.7
89.02319	2.1
101.02324	1.7
107.01280	2.0
108.02045	10.6
108.24399	0.6
109.02917	4.7
110.03158	0.7
111.00779	0.9
113.02316	1.7
121.02831	2.3
125.02309	0.7
135.00780	1.3
135.53990	0.5
137.02368	0.6
148.01585	1.6
151.00270	10.0
152.01067	9.8
153.01778	4.3
154.02206	0.7
161.04521	1.0
163.00284	2.7
163.03871	1.4
177.01839	1.7
178.99760	6.1
180.00284	0.6
183.04391	0.9
188.07108	1.1
192.56747	0.6
199.03970	0.9
211.03996	0.9
215.03470	0.9
216.19560	0.7
216.21603	0.6
226.02686	1.3
227.03441	3.1
229.05103	0.8
243.02942	10.4
244.03311	0.7
245.04433	1.0
253.14453	0.7
254.02206	2.2
255.02960	26.3
256.03326	1.7
266.49017	0.6
271.02463	52.7
272.02896	5.0
273.04089	0.8
283.02426	0.9
299.02063	1.8
300.02719	100.0
301.03445	48.3
302.03845	2.6
315.07236	12.1
316.07504	9.7
339.07144	1.5
340.07556	2.4
361.31601	0.6
374.44211	0.6
383.05951	1.8
384.06781	1.4
402.07687	0.8
463.08789	4.8
505.09811	76.8
506.10065	8.6
548.13983	1.2
549.14514	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	549.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.4
61.22715	0.2
61.98681	0.2
69.53122	1.4
77.03835	1.7
89.03976	0.2
93.03345	0.6
98.20496	0.4
121.02841	100.0
122.03178	3.2
137.02356	0.3
147.04375	0.3
165.01846	51.7
166.02168	1.9
180.05695	0.6
181.06523	2.7
197.06035	2.2
206.07326	0.3
207.04474	1.1
207.08076	0.2
223.03934	0.4
225.05524	1.1
251.07124	0.2
257.09784	1.0
313.07138	1.5
357.06244	0.8
383.07919	0.4
417.09698	2.2
418.09937	0.3
443.25467	0.2
488.33072	0.3
505.11420	1.7
506.12607	0.2
549.10376	26.7
550.10663	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	548.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.2
57.03323	3.2
58.00463	0.5
59.01250	100.0
60.01583	4.4
61.01680	0.3
61.93608	0.3
61.98700	38.1
69.03333	0.6
70.82330	0.8
71.01253	15.4
71.04896	0.7
72.01600	1.0
72.99191	1.0
73.02816	5.1
75.00741	0.6
83.01259	3.3
83.04885	0.3
84.01587	0.4
85.02820	11.1
85.06462	0.3
85.99973	0.3
86.03172	0.7
87.00761	1.3
88.98677	0.4
89.02307	3.3
93.03359	0.7
95.01264	1.7
96.01607	0.3
97.02847	1.1
97.06445	0.4
99.00749	1.9
99.08041	0.5
101.02320	10.5
101.05954	2.1
102.02677	0.7
102.06324	0.3
103.03886	6.6
107.04949	0.4
108.02087	0.7
109.06492	0.5
111.00784	0.9
112.01545	0.4
113.02330	7.6
113.09588	0.4
114.02703	0.5
115.03931	0.6
115.83881	0.3
119.03411	1.0
119.04924	0.6
121.02901	0.5
124.01608	0.5
125.02376	1.3
129.01891	0.4
143.03380	2.1
144.03743	0.3
144.11049	0.3
152.01082	0.6
153.01906	0.4
153.51503	0.3
159.02914	0.6
161.04465	3.3
162.04845	0.4
163.03867	0.3
177.01839	0.4
185.15695	0.3
194.66594	0.3
213.18634	0.7
221.19034	6.2
221.20975	0.4
239.20233	0.6
247.08386	0.4
265.09375	1.8
265.18066	3.7
269.04514	0.7
279.23312	0.6
280.23657	0.8
281.21329	0.9
283.19125	6.0
298.24533	0.3
301.20187	17.9
310.99121	1.3
315.21759	1.8
325.20212	2.2
325.27628	0.3
326.01385	1.8
326.27957	0.4
343.21262	0.7
343.28464	1.7
344.28830	2.2
345.30045	2.2
373.12531	0.3
381.22934	0.8
385.02646	0.9
399.24002	0.7
420.20932	0.3
438.80981	0.3
452.31155	0.3
465.21384	0.8
487.32742	4.9
488.33081	19.6
489.34232	12.9
505.33890	3.7
506.34116	13.3
506.41498	0.6
507.35248	6.9
507.42255	0.5
548.08911	1.4
548.18109	0.7
548.26123	1.0
548.35242	0.5
549.29144	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	548.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55803	0.4
51.74538	0.3
54.63649	0.4
59.01249	39.4
60.01578	0.9
61.98699	100.0
71.01257	4.8
71.52876	0.6
72.99194	0.4
73.02818	1.9
78.45778	0.3
83.01271	0.5
85.02831	1.1
87.00745	0.5
89.02306	1.8
101.02323	3.2
101.05968	3.2
102.06293	0.8
108.02071	0.5
113.02335	2.3
116.92783	0.4
119.03352	0.6
119.04846	0.5
121.02792	0.4
131.03439	0.4
143.03371	0.4
161.04520	0.6
179.05544	0.6
193.12395	0.4
232.27950	0.4
234.74562	0.4
289.88034	0.4
310.99051	0.4
326.01373	1.4
385.02945	0.4
399.23904	0.5
399.43735	0.5
429.53894	0.4
441.25198	1.4
488.33035	0.9
489.34656	0.8
543.70404	0.5
548.08905	0.8
548.18048	0.7
548.25836	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	548.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.3
57.03306	0.5
59.01250	42.7
60.01582	0.6
61.98701	100.0
69.21979	3.3
71.01254	4.2
73.02818	1.2
83.01260	0.6
85.02820	1.6
89.02306	1.5
91.05988	0.3
101.02326	2.0
101.05933	1.1
108.01988	0.3
113.02338	1.8
119.03352	0.5
119.04863	0.6
121.65199	0.3
147.94356	0.3
152.00951	0.4
161.04448	0.5
185.18509	0.3
232.35320	0.3
243.49007	0.3
310.98929	0.3
326.00992	0.8
327.64432	0.3
381.22195	0.5
385.01959	0.5
399.23907	2.1
441.24197	1.0
470.60999	0.3
487.31839	0.3
488.32593	0.7
492.93475	0.3
508.53070	0.3
548.07770	0.7
548.24323	1.1
549.22534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27509	2.7
55.95132	2.4
59.01249	48.8
60.89652	2.5
61.98702	33.9
62.43270	2.5
69.77037	11.4
71.01232	10.9
72.99175	5.5
73.02804	3.7
78.95757	2.8
83.01277	3.7
85.02787	5.4
88.08807	2.5
98.19869	5.1
99.00710	2.8
101.02319	6.6
101.05949	3.1
113.02325	3.0
119.04854	3.5
125.02204	2.6
166.02522	4.1
173.02353	10.0
175.03900	7.0
187.03925	5.4
201.01851	34.3
227.07063	9.5
245.08177	20.3
248.13792	2.8
282.14935	17.3
300.16037	100.0
301.16245	8.2
310.13779	2.9
310.98993	3.5
326.01163	9.8
342.16855	3.7
343.28494	6.6
344.28787	4.4
385.02469	3.4
446.18832	3.2
447.10965	3.9
487.32751	3.8
488.33667	3.4
505.33539	5.4
506.33969	9.8
547.34979	21.6
547.42389	4.3
548.08582	7.2
548.35028	27.3
549.17566	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	548.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89996	1.1
57.24747	1.0
58.30823	1.0
59.01245	14.0
60.15345	1.1
60.32966	1.1
61.98697	4.8
67.09046	1.0
69.72561	6.9
71.01254	14.2
72.00780	6.5
72.99161	1.5
73.02822	2.7
74.02337	7.5
75.89202	1.2
79.05315	1.1
83.01244	2.6
85.02818	8.6
87.00736	4.8
87.02728	1.2
89.02296	5.1
93.03327	23.7
95.01245	1.7
96.95863	1.8
98.20474	2.0
99.00733	1.6
101.02322	6.0
103.03870	1.1
106.04118	3.9
107.04951	5.3
108.02029	3.4
109.02843	2.2
111.00754	3.0
113.02325	5.0
115.00242	4.5
119.01286	3.5
119.03413	1.9
119.04910	14.8
120.01113	2.1
121.02831	4.8
125.02325	1.6
130.85802	1.1
134.06030	1.2
135.04427	2.8
138.03091	1.1
147.00746	2.7
148.01564	3.1
149.02330	11.2
150.03140	9.1
151.00215	1.5
151.03905	1.7
153.01810	1.7
155.03360	1.2
157.01361	1.5
160.03935	4.2
161.04393	3.1
163.03906	11.9
164.04686	5.8
165.01811	1.5
165.05464	2.4
175.00267	18.0
175.02364	5.1
176.01073	34.6
177.01695	2.8
179.03403	1.3
179.07056	1.2
180.06586	53.3
181.05103	1.9
181.06953	2.4
190.02646	48.3
191.01947	1.8
191.03406	43.5
192.03789	2.6
194.02090	1.1
194.08144	4.7
195.02948	2.2
205.05003	50.1
206.05333	2.7
207.03015	1.8
209.02824	1.8
209.04504	5.2
223.06068	7.1
233.04475	1.4
251.05496	1.1
265.09274	1.3
282.39368	1.2
343.07092	1.2
353.08759	22.2
354.09061	2.0
367.10321	29.2
368.10681	2.3
422.67987	1.1
429.09637	1.3
548.17670	100.0
549.17932	13.8
549.25006	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	548.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76556	0.4
62.27584	0.6
65.38355	0.5
65.71066	0.6
69.19992	0.5
69.37603	4.6
84.77822	0.5
141.02187	0.5
144.56500	0.5
199.92656	0.6
281.98746	0.6
282.99380	4.8
283.99939	0.7
310.98920	50.3
311.99600	6.0
326.01254	100.0
327.01770	10.6
340.99631	1.0
341.03595	13.1
342.04358	5.9
370.00226	18.5
371.00485	1.5
385.02588	39.2
386.02972	4.5
504.09595	1.8
548.08606	76.8
549.00494	0.8
549.08936	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	548.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.6
57.02378	0.5
57.03329	1.2
58.02841	1.4
59.01247	7.4
61.98696	1.3
69.03332	1.1
71.01252	5.5
71.52496	0.8
72.99176	0.6
73.02807	1.7
83.01251	1.0
84.00762	0.6
85.02819	4.5
87.00761	0.7
89.02312	1.2
91.95200	0.5
93.03326	2.1
93.22516	0.5
95.01293	1.2
97.02826	0.9
99.00709	0.9
101.02306	3.8
106.05055	0.5
107.01273	1.0
107.04857	0.6
108.02044	57.7
109.02837	25.7
109.03602	0.7
110.03236	0.7
111.00761	0.6
113.02322	2.5
119.03345	0.6
121.02831	2.0
123.00767	1.2
123.04417	2.3
125.02309	1.2
133.02818	1.7
135.00748	2.1
135.04472	0.6
144.08063	2.7
145.06456	1.0
146.06035	3.9
147.04410	1.6
149.02301	0.7
151.00266	3.1
151.03926	1.9
152.01047	67.4
153.01830	29.1
154.02141	0.9
160.03961	1.5
161.04420	1.3
163.00194	0.7
163.03905	2.2
164.07069	5.6
165.01891	2.6
177.01851	11.2
178.02295	0.5
178.99771	1.4
179.03400	0.7
188.07085	4.8
191.03453	0.5
193.04985	0.7
195.02966	0.7
197.62018	0.5
206.08214	1.0
225.03940	0.6
227.03479	1.1
232.06073	0.9
243.02939	3.2
255.02945	5.5
265.09259	1.1
271.02454	13.9
272.03140	0.7
297.06146	0.8
299.02097	3.0
300.02704	22.9
301.03522	7.6
315.07193	100.0
316.07593	4.6
339.07184	15.3
383.06158	16.1
384.06558	0.7
401.07138	4.8
445.11377	1.0
463.08582	0.6
504.08234	1.0
504.15018	10.7
505.09686	14.4
505.15186	1.0
548.14014	32.6
549.14142	4.8
549.21259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.0
57.03319	2.5
58.00464	0.5
59.01250	100.0
60.01571	0.9
60.61751	0.2
60.99183	0.3
61.01680	0.2
61.98699	10.4
63.02024	0.2
68.99681	0.2
69.03333	0.7
70.41222	0.2
70.92671	0.4
71.01252	16.7
71.04896	0.7
72.01603	0.2
72.99174	0.8
73.02815	5.8
75.00747	0.4
81.03310	0.2
81.06969	0.2
83.01257	4.1
83.04868	0.2
84.02040	0.2
85.02824	9.6
85.06478	0.5
85.99973	0.5
86.03165	0.3
87.00736	1.2
88.98684	0.9
89.02316	2.5
93.03355	0.2
93.06978	0.4
95.01263	1.4
95.04912	0.2
97.02825	1.2
97.06490	0.6
99.00748	2.7
101.02324	11.3
101.05952	3.0
101.81689	0.2
103.03899	0.2
107.04889	0.2
108.02057	0.4
109.02877	0.3
109.06490	0.3
111.00771	1.4
111.04355	0.3
111.08027	0.3
112.01568	0.4
113.02331	8.2
115.03910	0.7
119.03394	0.8
119.04871	0.3
124.01575	0.3
125.02341	1.6
129.01834	0.3
137.05960	0.2
141.12703	0.2
143.03409	2.6
143.10696	0.5
151.00137	0.2
152.01064	0.4
157.12222	0.2
159.02852	0.7
161.04468	3.9
167.51514	0.2
173.74919	0.2
187.11261	0.2
207.17319	0.2
213.18497	1.0
261.76334	0.2
269.04700	0.3
279.23245	1.8
280.23694	0.2
295.26413	0.2
297.24353	0.6
307.26532	0.3
325.27411	0.7
326.01038	0.5
343.28488	5.7
344.28705	0.7
357.22656	0.3
367.28650	0.3
375.23920	0.9
382.11154	0.2
385.29388	0.3
391.21271	0.2
401.19690	0.5
419.20721	0.4
439.30658	0.8
451.30795	0.3
457.31790	0.5
469.31430	0.5
487.32733	35.0
488.33029	4.5
503.22440	0.3
505.33798	25.6
506.34140	2.8
515.82318	0.2
547.24780	1.3
547.34192	1.7
548.08459	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32225	0.3
55.01743	0.4
55.45385	0.3
57.03312	0.8
59.01249	100.0
60.01587	0.8
61.98701	3.2
69.03316	0.4
69.21902	2.7
69.22306	0.8
71.01254	6.7
72.99183	0.9
73.02811	3.1
83.01236	1.6
83.04868	0.5
85.02824	3.1
85.52083	0.4
89.02308	3.0
93.03330	0.6
95.01264	0.7
97.02783	0.4
98.19805	0.6
99.00747	0.6
101.02325	4.2
108.02056	0.5
109.02857	0.4
111.00790	0.5
113.02329	5.1
119.03403	1.1
119.04912	0.5
120.74593	0.3
123.04487	0.5
125.02412	0.6
137.02280	0.3
143.03404	0.6
159.84491	0.4
161.04451	2.3
175.88953	0.4
179.05571	0.5
184.70166	0.3
190.02634	0.4
219.34427	0.3
219.93793	0.4
221.11771	0.4
249.59491	0.3
269.04532	0.6
310.98978	0.6
326.01282	1.6
343.28641	1.0
349.16550	1.8
385.02704	0.5
385.14389	0.9
427.23352	1.1
445.14822	0.4
445.24567	4.0
487.25516	0.9
487.32880	5.3
488.32864	0.4
505.33856	2.4
511.81384	0.4
547.31458	1.6
548.08722	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	547.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.9
57.03317	1.7
58.00470	0.6
59.01247	100.0
60.01583	1.2
61.98699	2.2
68.99662	0.2
69.03324	0.5
69.21043	2.0
71.01250	14.3
72.01582	0.2
72.99174	0.7
73.02816	4.2
73.09660	0.2
75.00742	0.4
80.35384	0.2
81.01362	0.2
81.03345	0.2
83.01255	2.9
85.02820	8.6
85.99976	0.3
87.00761	0.8
88.14220	0.2
89.02321	2.7
93.03316	0.2
93.06986	0.9
93.95982	0.2
95.01268	1.9
97.02831	0.8
99.00748	2.4
101.02319	8.4
102.02644	0.3
108.02069	0.6
109.02808	0.4
111.00762	0.6
112.01588	0.2
112.67173	0.2
113.02325	10.0
114.02706	0.3
115.03873	0.2
119.03385	1.0
119.04925	0.4
121.02815	0.2
124.01518	0.4
125.02351	1.3
138.49779	0.2
143.03404	2.0
149.13258	0.4
152.01041	0.5
153.01857	0.3
157.12212	1.4
159.02872	1.0
161.04459	6.3
161.05815	0.3
165.05457	0.3
174.65184	0.2
179.05481	0.3
197.15370	0.4
213.18570	0.9
224.12549	0.2
234.30078	0.2
256.02460	0.2
257.03079	0.3
271.04846	0.2
281.10330	0.4
297.24249	0.4
310.98907	0.3
313.27499	0.4
315.54379	0.2
325.27390	0.5
326.01273	0.7
343.28485	2.7
344.28760	0.5
357.22720	1.5
370.00281	0.3
375.23926	1.7
375.66769	0.2
376.23883	0.3
385.02710	0.2
385.29593	0.3
427.23611	0.5
427.29947	0.3
439.30771	0.2
445.24533	0.6
451.30832	0.2
457.31567	0.4
469.31686	0.8
487.32739	27.5
488.33096	3.6
503.22327	0.2
505.33801	13.6
506.34125	1.5
537.88202	0.2
547.35175	1.2
548.08875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32225	0.3
55.01743	0.4
55.45385	0.3
57.03312	0.8
59.01249	100.0
60.01587	0.8
61.98701	3.2
69.03316	0.4
69.21902	2.7
69.22306	0.8
71.01254	6.7
72.99183	0.9
73.02811	3.1
83.01236	1.6
83.04868	0.5
85.02824	3.1
85.52083	0.4
89.02308	3.0
93.03330	0.6
95.01264	0.7
97.02783	0.4
98.19805	0.6
99.00747	0.6
101.02325	4.2
108.02056	0.5
109.02857	0.4
111.00790	0.5
113.02329	5.1
119.03403	1.1
119.04912	0.5
120.74593	0.3
123.04487	0.5
125.02412	0.6
137.02280	0.3
143.03404	0.6
159.84491	0.4
161.04451	2.3
175.88953	0.4
179.05571	0.5
184.70166	0.3
190.02634	0.4
219.34427	0.3
219.93793	0.4
221.11771	0.4
249.59491	0.3
269.04532	0.6
310.98978	0.6
326.01282	1.6
343.28641	1.0
349.16550	1.8
385.02704	0.5
385.14389	0.9
427.23352	1.1
445.14822	0.4
445.24567	4.0
487.25516	0.9
487.32880	5.3
488.32864	0.4
505.33856	2.4
511.81384	0.4
547.31458	1.6
548.08722	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	547.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.7
61.98696	0.3
65.96529	0.3
67.01748	0.4
67.08489	0.3
67.32930	0.4
71.23750	0.6
71.24082	0.5
78.59250	0.3
87.04388	0.4
110.55913	0.3
119.08547	0.4
123.04391	1.5
135.04405	6.0
137.02376	0.4
147.04417	0.6
149.05951	0.6
150.06752	1.5
151.07547	33.7
152.07874	1.2
163.07550	20.6
164.07826	0.7
175.16595	0.3
177.05476	9.7
178.05829	0.4
189.05478	1.0
194.05777	0.9
195.06570	2.4
203.10704	1.7
205.08690	0.4
207.06551	4.3
211.09703	0.7
219.46777	0.3
221.11809	0.8
223.09760	1.0
226.04755	0.7
239.12869	6.2
247.09715	1.7
253.14413	1.2
265.10791	10.1
266.11185	0.8
281.78687	0.3
283.11880	7.0
297.13419	3.6
341.19699	1.6
367.17502	1.7
385.18655	100.0
386.18964	10.3
507.82376	0.4
547.23944	7.9
548.24377	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.5
55.29396	0.2
57.03316	0.6
58.00460	0.4
59.01249	100.0
60.01588	0.9
61.98700	3.3
64.74031	0.2
69.03340	0.4
69.89328	0.2
71.01254	8.2
72.99187	0.8
73.02818	3.6
75.00772	0.4
83.01257	1.6
83.04890	0.3
85.02821	3.8
87.00733	0.5
87.04384	0.3
89.02324	3.3
89.88371	0.2
91.05491	0.2
93.03353	0.5
94.64657	0.2
95.01273	0.8
97.02846	0.5
98.20641	0.5
99.00780	0.6
99.62872	0.2
101.02321	5.5
103.03905	0.2
108.02079	1.1
109.02841	0.5
111.00781	0.6
113.02323	5.4
119.03414	1.1
119.04923	0.7
120.14430	0.2
121.02858	0.8
123.04382	0.4
125.02338	0.5
131.03456	0.4
135.04393	0.3
135.87126	0.2
137.02335	0.7
143.03435	0.8
143.10648	0.3
149.02386	0.6
149.04469	0.3
151.00337	0.5
152.01091	0.6
156.12752	0.2
159.02948	0.3
161.04489	2.1
163.03934	0.4
167.03358	0.2
179.05579	0.6
182.21391	0.2
190.02681	0.3
201.11255	0.4
203.05424	0.2
205.05048	0.4
209.11827	0.9
230.20299	0.2
237.95847	0.2
265.09711	0.3
269.04630	0.5
282.99387	0.2
297.14993	0.3
310.98920	2.4
326.01291	5.1
326.05038	0.4
327.02130	0.3
341.03586	0.5
342.04376	0.3
343.28558	0.4
358.28528	0.2
370.00317	0.8
385.02533	1.8
397.20175	0.3
427.23505	0.9
445.24283	3.6
446.24957	0.3
487.25687	0.7
487.32886	2.9
488.33136	0.4
505.34210	1.4
547.17926	1.1
547.25385	0.3
547.33203	0.4
548.08624	5.0
548.16962	0.3
548.32007	0.3
570.73456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66253	0.2
57.03317	4.6
59.01246	7.2
61.98687	0.3
64.07754	0.2
69.03320	0.5
71.01245	1.8
72.99169	0.5
73.02812	1.1
75.00713	0.4
83.04871	0.9
85.02816	1.4
87.00732	0.7
87.04388	0.5
89.02295	1.1
93.03322	0.5
98.20564	0.5
101.02324	1.1
103.03851	0.3
111.00765	0.5
113.02303	0.9
119.03440	0.3
119.04899	0.4
121.06509	0.2
123.08047	0.8
135.04349	0.3
135.06511	0.3
137.02313	0.4
137.09628	1.6
139.11171	0.6
149.09642	1.9
151.00194	0.3
151.11168	0.8
161.04443	0.5
161.09624	0.6
163.03874	0.3
165.12775	1.5
167.14355	0.6
177.12735	1.7
179.10684	0.8
190.02568	0.3
193.12244	0.3
195.13831	21.0
196.14134	1.1
205.12218	0.3
211.07448	0.3
223.13330	0.5
237.09772	1.2
239.12703	0.3
241.14407	100.0
242.14734	6.3
247.13525	0.3
255.02962	0.2
265.14426	15.2
266.14740	1.2
267.44815	0.2
269.04648	0.4
279.10867	1.7
285.04202	0.5
297.11838	0.2
305.08667	0.8
337.13019	0.2
383.81247	0.2
401.63776	0.2
429.99200	0.2
443.24496	1.0
447.09247	0.3
469.22253	0.3
487.23416	0.8
503.26950	0.3
547.25293	11.6
548.25726	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.7
59.01247	39.1
60.01571	0.6
60.31377	0.6
61.98676	1.6
67.36549	0.4
68.84104	0.5
69.58056	1.3
69.58478	2.5
71.01255	2.7
71.01608	0.5
73.02808	1.4
73.80275	0.5
85.02826	1.1
87.04369	4.4
89.02346	1.0
101.02305	1.9
113.02323	1.5
125.05976	1.4
133.10120	0.9
135.04417	1.0
136.05138	0.5
143.03423	0.6
147.04378	1.0
148.03908	0.7
149.05975	4.3
150.06711	1.0
151.07539	8.3
161.04541	1.0
161.05899	1.2
162.06732	0.6
175.07513	3.1
176.04622	0.8
176.08176	0.7
177.05461	1.2
177.09117	4.6
189.05438	1.6
189.09106	0.7
193.08627	1.2
193.12352	0.8
203.07104	1.0
203.10695	1.9
204.07782	1.8
205.08606	5.2
217.12224	0.8
218.09335	1.2
219.10223	1.0
219.13847	0.9
220.10962	7.8
221.11760	26.3
222.12172	1.4
229.08572	1.0
229.12378	2.4
231.10220	6.7
233.11670	1.3
235.13354	0.8
240.10228	0.6
244.10872	0.6
245.08110	2.0
246.12567	1.5
247.09737	4.5
247.13347	10.5
261.14978	0.5
262.58868	0.5
264.10016	2.2
265.10721	2.0
267.11401	7.4
273.11313	1.5
287.16425	1.4
289.14334	1.0
305.17557	22.7
306.17929	1.7
311.10364	2.1
326.01089	1.2
331.15460	8.8
332.15924	0.7
349.16528	100.0
350.16885	8.5
353.11377	0.7
357.13751	0.6
385.14200	69.9
386.14514	7.6
445.24390	1.9
487.26004	0.6
487.32758	2.3
505.33829	1.1
511.21872	11.4
512.22119	1.2
515.16864	1.0
547.19293	5.8
547.27118	0.8
548.08905	0.7
548.19995	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	547.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61007	0.2
55.01745	0.5
57.03318	0.8
59.01249	9.8
60.87469	0.2
61.36760	0.2
61.98705	1.8
65.00201	0.3
67.01768	0.2
68.99704	0.4
69.03320	0.7
71.01250	7.8
71.04869	0.2
71.10810	0.6
72.99174	0.4
73.02816	2.1
75.00751	0.4
76.56163	0.2
79.68031	0.2
81.03323	1.1
81.13551	0.2
83.01246	1.7
85.02821	6.0
85.64988	0.2
87.00750	0.9
88.98691	1.2
89.02321	2.1
90.98462	1.4
93.03336	1.3
95.01270	2.4
95.04903	0.2
96.95881	0.3
96.99164	0.6
97.02840	0.5
99.00758	0.8
101.02322	4.6
101.05962	0.3
103.03889	0.9
106.04120	5.5
107.01258	0.7
107.04935	1.4
108.02050	54.8
109.02847	25.3
110.03160	0.8
111.00748	2.0
111.04394	0.2
112.01115	0.3
113.02322	3.1
115.03942	0.2
119.03443	0.5
119.04914	3.1
121.02837	1.8
122.03665	0.4
122.97182	0.2
123.00768	1.8
123.04404	0.8
125.02326	0.7
128.03461	0.3
134.03624	1.1
135.00769	0.8
135.04393	2.3
136.01563	0.8
137.02332	0.7
137.05978	0.6
138.03130	1.5
138.26756	0.3
139.00264	0.2
141.54097	0.2
143.03403	0.6
145.02867	0.4
147.04404	0.4
147.08055	0.3
148.01590	0.4
149.02338	1.1
149.04469	0.2
149.05927	0.5
150.03098	0.5
151.00237	1.4
151.03891	0.9
152.01054	66.0
153.01843	17.9
154.02220	0.4
159.08107	0.3
160.03990	0.3
161.04437	0.6
163.00226	0.5
163.03935	2.7
164.04604	0.6
165.01872	1.2
166.02637	0.4
167.03355	0.3
175.00253	0.6
175.11206	4.8
176.11494	0.3
177.01834	0.5
179.03410	2.1
181.05026	0.4
182.02129	0.3
187.11230	3.2
190.02719	1.3
191.03229	0.5
191.85646	0.2
191.87509	0.3
193.04962	0.4
199.03696	0.3
203.07047	0.2
205.04982	0.9
205.12271	4.3
207.06657	0.3
207.10155	0.4
217.05153	0.2
223.06000	0.5
225.03908	0.4
231.10222	0.4
233.11674	0.4
235.06104	0.4
249.11275	17.0
250.11673	1.3
263.12729	0.4
265.09363	1.1
268.03674	0.5
269.04437	2.3
270.04898	1.1
271.05881	0.6
273.93253	0.3
285.02963	0.3
291.12390	0.7
300.05133	0.5
315.07184	13.2
316.07596	0.8
341.08890	0.3
367.10464	0.4
385.12955	1.9
386.12921	0.3
393.15604	3.1
427.16086	0.7
451.13324	0.5
462.10248	0.7
503.19183	2.6
505.26480	0.7
536.97772	0.2
547.18170	100.0
548.18616	12.3
548.25806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00952	1.2
59.01250	13.6
62.45313	1.2
69.18279	7.3
69.18703	4.3
71.01258	9.8
73.02821	2.0
83.01247	1.7
85.02811	4.7
87.00745	4.7
89.02314	12.2
91.01780	1.2
98.20523	1.9
99.00739	3.3
101.02336	7.5
113.02315	6.0
115.01211	1.0
119.01240	3.2
119.03357	4.4
121.02821	2.8
125.02314	2.0
135.04346	1.6
137.02310	1.3
139.27202	1.2
143.03401	1.5
147.00758	2.2
147.04428	2.0
149.02341	22.6
149.73869	1.1
150.62778	1.0
161.04428	5.4
163.03912	3.0
164.04697	30.9
165.05070	1.5
175.00247	24.1
179.05498	10.3
179.07065	4.1
190.02638	80.6
191.03497	5.0
193.01335	1.1
203.07056	2.0
205.04996	100.0
206.05650	13.2
207.02873	1.8
207.06360	1.2
208.03815	5.2
209.04416	1.3
221.08141	12.8
222.05296	1.6
223.06055	67.7
224.06337	2.4
237.07652	4.8
250.04788	2.9
251.05519	1.1
265.07144	54.6
266.07474	2.5
295.08173	10.3
325.09296	15.2
367.10306	4.0
385.11200	7.9
385.18655	1.9
451.03055	1.3
547.16693	91.9
548.17035	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	546.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19239	1.2
59.01248	49.1
60.01577	2.4
60.99171	11.6
61.98690	1.7
69.34667	3.9
69.35095	5.6
71.01255	18.1
72.01556	1.5
72.99175	3.6
73.02821	6.0
83.01260	3.1
85.02821	8.8
86.03229	1.1
87.00743	8.4
88.00272	18.2
88.01085	2.2
88.98676	65.9
89.02312	100.0
90.01883	1.1
90.02631	2.2
95.01222	1.5
99.00749	1.6
101.02308	9.8
101.05959	3.2
101.74568	1.2
106.06496	1.3
111.08007	3.9
112.08414	1.1
113.02318	7.2
119.03423	1.3
136.07654	1.5
141.66757	1.1
152.15242	1.2
161.04451	4.5
169.12309	1.5
197.11760	16.2
198.12080	7.4
199.13394	1.3
203.41124	1.1
211.13268	1.5
253.09328	8.2
254.09659	3.4
273.14908	1.3
291.19684	3.5
292.20108	2.5
299.13962	2.6
309.20715	12.1
310.21030	13.0
368.07947	1.3
504.32599	2.6
545.33368	18.8
546.33698	44.8
547.34161	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	547.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59839	1.6
57.03280	1.6
59.01248	18.4
61.98708	3.2
71.01249	18.2
71.51921	2.4
72.99178	1.5
73.02807	3.5
83.01276	2.2
85.02805	6.7
87.00735	6.7
89.02312	12.1
93.03313	2.6
95.01267	2.5
96.95888	2.4
97.02839	2.2
99.00744	3.7
101.02319	8.9
113.02315	6.1
115.03805	1.9
119.01263	3.4
119.03374	4.9
120.21025	1.6
121.02843	3.6
125.02319	2.1
134.03580	2.3
135.04381	5.7
137.02319	5.6
147.00813	2.7
147.04318	2.0
149.02348	32.1
151.07541	4.1
161.04407	7.8
163.03934	5.2
163.07576	3.2
164.03424	3.1
164.04689	33.2
165.01711	3.3
165.05370	2.2
175.00276	23.7
177.01784	3.3
177.05440	4.1
179.05470	6.9
179.07027	7.4
190.02638	98.3
191.03220	6.6
205.04993	100.0
206.05696	13.7
207.02887	6.5
207.06706	2.4
208.03711	5.0
221.08176	13.9
222.08418	2.2
223.06071	65.3
224.06366	3.9
236.37204	1.8
237.07561	9.2
247.05893	1.9
250.04811	5.2
251.05403	1.8
265.07144	55.9
266.07480	3.3
295.08093	9.7
325.09134	14.1
367.10272	3.5
385.11218	8.0
385.18655	15.3
456.13025	1.8
534.76642	1.8
547.16669	97.5
548.17291	8.8
567.03784	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	546.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68520	1.5
53.87500	1.2
59.01249	100.0
60.01576	4.1
60.45631	1.4
61.98700	75.0
67.01768	7.7
68.99687	5.7
71.52853	2.1
73.96019	1.6
78.95782	1.7
160.04010	1.5
186.44385	1.5
228.98621	1.9
290.59241	1.4
318.90298	1.5
353.21136	2.2
395.22281	2.5
400.47861	1.7
439.21271	19.5
440.21765	3.4
486.32932	2.0
523.47131	1.9
563.14325	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	546.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.4
57.03324	3.2
59.01248	100.0
60.01575	2.1
61.98701	76.5
66.20504	1.2
71.01251	18.5
71.52548	2.1
72.99193	1.6
73.02824	8.0
78.53174	1.2
83.01257	3.7
85.02828	10.3
87.00742	2.7
89.02313	4.4
95.01255	2.5
97.06477	1.6
99.00765	2.4
101.02323	13.4
101.05954	10.9
109.06455	1.3
111.00766	2.3
111.04407	1.6
111.76733	1.4
113.02335	8.2
114.02644	1.4
119.03374	2.6
119.04877	1.8
134.55173	1.2
152.01086	1.4
156.67648	1.3
160.03894	1.8
161.04442	3.7
163.03888	1.7
168.04088	1.3
177.08485	1.5
269.04605	1.7
343.28583	3.2
347.18716	2.1
359.51947	1.5
401.19571	2.6
409.45398	1.7
419.20868	1.8
486.31577	2.9
487.32855	13.7
504.32410	2.1
505.33865	6.7
528.28082	1.6
546.25189	2.7
546.33649	3.2
547.24988	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	545.3328
Annotation	3-O-alpha-Mycarosylerythronolide B
Peak:m/z	Relative Intensity
55.01755	1.7
57.03313	3.1
58.00477	1.4
59.01248	67.8
60.01576	1.0
61.98700	3.0
65.92448	0.5
67.01754	5.6
68.99670	1.3
69.03336	1.2
69.75529	0.9
69.75943	2.1
71.01248	22.4
72.99182	2.0
73.02814	9.1
75.00769	0.6
83.01256	4.4
83.04887	0.7
85.02816	14.0
85.99957	0.9
87.00755	2.5
89.02311	8.2
95.01257	1.8
96.95327	0.5
97.02849	0.7
99.00765	2.5
101.02318	15.5
101.05962	1.2
111.00742	4.1
111.04401	1.4
111.08014	3.4
113.02317	10.7
113.03065	0.7
119.03377	2.8
121.02840	0.5
124.94685	0.4
125.02367	0.8
131.03374	0.6
139.03937	0.5
143.03424	0.8
151.11183	0.6
159.02930	0.9
161.04480	3.4
161.05762	0.7
169.12271	1.4
195.17519	1.0
197.11742	12.0
197.13538	0.7
199.13341	1.0
209.11829	0.6
211.13359	2.1
253.09235	7.7
263.10669	0.5
263.20309	0.9
263.23486	0.5
273.14749	0.6
284.67618	0.5
291.19650	4.6
297.27930	0.9
309.20709	17.3
310.21057	1.7
313.18066	0.5
341.26984	1.2
371.18539	0.7
413.19611	0.6
415.21219	1.7
457.22253	1.5
459.20255	3.5
459.27261	1.2
459.33389	1.2
473.21335	0.8
485.31049	2.2
486.31561	0.7
501.21249	13.5
501.28195	1.3
502.21735	2.7
503.32220	2.9
527.31866	0.7
545.20013	3.0
545.33289	100.0
546.20514	0.8
546.33563	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	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.0
56.09571	0.7
56.55043	0.7
57.03336	3.7
58.00469	2.6
59.01250	100.0
60.01593	0.9
61.01675	0.7
61.98703	4.3
67.01770	1.7
69.03322	2.2
71.01252	36.6
72.99162	3.5
73.02820	9.9
75.00758	3.7
83.01250	6.6
83.04898	1.4
85.02822	16.7
85.22845	0.9
85.99989	1.4
87.00735	3.4
88.00233	1.3
89.02320	13.1
89.41628	0.7
93.03350	1.8
93.06982	0.9
95.01281	3.6
97.02842	1.9
99.00762	4.1
101.02321	26.5
101.05991	0.8
107.04904	1.0
108.02097	1.1
109.06461	1.5
111.00806	1.0
111.08044	17.0
113.02327	15.3
115.03864	1.0
119.03375	3.8
119.04923	0.7
127.07544	1.1
129.01855	0.8
131.03436	0.7
133.34598	0.7
137.33083	0.7
143.03410	2.2
151.11195	1.7
153.09117	1.0
153.12758	1.6
154.08609	1.0
159.02840	1.1
161.04459	9.1
163.11217	1.0
169.12250	7.4
171.10191	1.2
179.05507	2.2
179.10619	0.9
181.12286	1.8
191.05496	1.7
191.07082	3.0
197.11754	77.2
198.12151	3.8
199.13316	4.7
209.11749	1.7
209.77354	0.7
211.13321	8.4
223.74739	0.8
227.12813	2.6
245.08195	1.0
253.09253	47.4
254.09549	1.7
258.21567	0.9
263.20135	5.0
265.18039	1.2
269.04669	1.0
273.18607	1.0
291.19656	24.3
292.19974	2.5
309.20688	97.7
310.20990	7.7
341.27026	1.0
395.84573	0.9
457.22318	1.4
459.33157	1.8
484.22711	0.9
485.31403	4.9
503.32275	6.6
527.28607	1.0
545.33350	99.4
546.33795	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	545.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76176	1.0
55.01738	1.5
56.25384	0.8
57.03310	3.5
58.00451	1.4
59.01250	89.2
61.98188	0.8
61.98697	11.1
67.01765	1.3
69.03310	2.3
71.01252	25.7
71.04890	2.1
72.01578	0.9
72.99181	2.2
73.02518	0.8
73.02828	10.4
78.36196	0.9
78.95773	0.8
81.03292	1.5
83.01260	4.5
83.04883	3.3
85.02827	10.4
85.06457	1.7
87.00740	3.0
87.04373	4.8
89.02307	15.3
93.03319	2.1
93.93491	0.8
95.01255	3.2
97.02805	1.9
97.06451	0.9
99.00725	2.2
101.02319	22.6
107.04929	1.1
108.02008	1.1
109.06452	3.1
111.00754	1.8
111.04408	1.4
111.08031	6.1
113.02330	15.0
119.03354	5.3
119.04868	2.1
121.02831	4.8
123.04362	1.2
129.01839	1.2
137.09616	1.2
143.03381	3.0
149.04527	1.1
149.51643	1.0
152.00998	1.0
161.04431	8.4
169.12212	1.7
171.01074	0.9
171.10153	4.3
179.05522	2.8
179.14275	1.5
183.13872	1.3
191.05551	2.2
192.22221	0.9
195.13811	9.3
197.02589	1.4
197.11769	21.8
198.12000	1.6
199.13309	2.5
201.11252	2.4
209.11760	3.1
211.13342	6.7
221.15402	5.4
223.13313	2.9
227.12724	1.0
239.16415	2.3
253.09248	42.3
254.09583	2.0
263.20230	1.7
273.18597	1.8
291.16296	1.4
291.19638	28.8
292.20001	2.9
309.20697	100.0
310.20892	7.4
485.31247	6.7
501.25821	1.1
503.32562	5.0
527.27911	1.7
545.22742	5.0
545.34192	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	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37015	1.1
55.01754	1.6
55.07824	1.1
55.16494	1.2
55.24252	1.2
57.03309	4.4
58.00463	1.5
59.01249	91.3
60.21170	1.2
60.99170	3.2
61.98694	4.7
65.39085	1.1
67.01762	2.4
69.03339	1.9
69.31963	5.4
69.32385	4.7
71.01249	32.8
72.99184	5.1
73.02824	11.5
75.00732	4.1
82.15186	1.1
83.01244	6.1
83.04875	1.7
85.02825	15.4
85.99944	1.5
87.00739	13.4
87.04395	1.4
88.00279	16.1
88.98681	20.7
89.02316	24.6
93.03322	2.2
95.01261	4.2
97.02824	1.9
97.06445	1.5
99.00780	4.3
101.02322	22.2
101.02931	1.0
101.05962	1.4
109.06471	1.5
111.08042	17.6
112.08430	1.3
113.02312	10.2
119.03384	3.9
119.04890	2.0
121.02853	1.3
125.02361	1.3
127.07510	1.6
143.03334	2.2
143.16803	1.1
147.08061	1.4
152.05638	1.2
153.12756	2.1
161.04454	10.2
169.12259	7.1
178.34976	1.1
179.05473	2.4
181.12282	3.1
191.03496	1.2
191.05521	1.6
191.07121	4.9
197.11746	86.5
198.12181	2.8
199.13306	5.7
201.11322	1.4
209.11868	1.6
211.13284	8.4
227.12932	2.7
234.80699	1.3
253.09254	51.1
254.09586	1.6
263.20169	5.2
265.18036	1.7
273.18668	1.4
291.19641	32.0
292.19855	2.0
309.20688	100.0
310.21130	6.9
366.44070	1.3
459.33313	2.0
485.31342	4.4
503.32339	4.7
545.33496	68.8
546.33887	7.5
548.80518	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	545.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97781	0.5
59.01241	6.6
61.98699	100.0
71.01236	1.0
71.01615	1.1
75.00742	8.3
85.02837	0.5
96.95881	0.6
101.02296	0.6
101.06003	0.4
165.12769	1.1
195.63712	0.4
199.54974	0.4
207.10301	0.4
209.11774	3.2
210.12154	0.5
247.20567	0.5
253.09364	1.8
265.21780	0.8
291.19617	3.4
309.20673	4.4
445.20889	0.5
545.26141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04587	0.5
52.88253	0.5
52.97012	0.5
58.00429	0.6
58.73013	0.5
59.01249	30.6
59.24323	0.5
61.98698	1.0
69.43749	3.5
69.44165	0.8
71.01253	3.6
73.02828	0.9
82.36707	0.5
85.02820	1.0
87.00742	0.6
89.02314	3.1
101.02313	3.6
101.05934	1.6
113.02315	1.8
119.03431	0.5
161.04443	1.8
180.37038	0.5
189.55835	0.6
205.19522	0.8
209.96997	0.5
220.93361	0.6
231.17511	0.5
235.08192	1.7
249.18561	100.0
250.18863	7.8
253.09238	14.9
254.09576	0.8
257.91516	0.5
290.09695	0.6
406.11554	0.6
545.34698	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	545.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.7
55.36796	0.6
56.93333	0.5
57.03316	1.4
58.00478	1.1
59.01246	34.0
60.01582	0.7
61.98697	8.2
63.12199	0.6
63.22476	0.6
67.01761	0.6
69.03319	1.2
71.01251	13.3
72.99171	0.9
73.02803	3.1
77.02701	0.7
81.03310	0.6
83.01236	1.8
83.04881	1.6
85.02838	3.4
87.00745	1.9
89.02307	10.8
95.01248	1.9
99.00751	1.2
99.04361	0.7
101.02318	12.1
109.06474	1.2
111.08041	18.3
113.02334	6.4
113.66267	0.6
119.03384	3.6
123.08018	0.6
125.02346	0.8
125.09673	0.8
131.04858	0.6
132.68100	0.7
132.85588	0.7
137.09604	1.1
143.03378	1.2
153.09114	1.4
153.12746	1.9
158.98386	0.5
161.04434	6.5
169.12228	7.2
171.10135	1.5
179.05493	2.1
179.10741	0.9
181.12282	0.9
183.13751	1.0
193.12430	0.6
197.11748	91.6
198.12054	3.5
199.13318	6.5
209.11688	1.1
211.13313	10.7
217.15726	0.6
225.14838	1.0
227.12964	3.2
231.06538	1.2
247.20616	0.8
253.09245	51.6
254.09494	1.8
263.20193	5.3
265.18134	3.2
273.18625	1.5
287.92844	0.6
291.19650	25.3
292.19992	2.0
309.20685	100.0
310.20981	7.5
351.08606	2.1
355.11847	1.5
383.11185	2.0
400.69443	0.7
457.22253	1.2
485.31372	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84233	1.3
57.23922	1.2
59.01248	100.0
61.98698	2.8
71.01249	4.5
73.37533	1.3
98.20673	2.2
101.05955	3.9
102.75102	1.7
112.07957	1.4
121.02794	1.3
140.27094	1.5
162.83803	3.5
217.87927	1.2
253.09445	2.7
309.24344	5.0
311.55283	1.3
331.19061	2.4
345.18719	1.6
384.26395	1.4
461.29251	2.1
467.20889	3.3
477.37057	1.4
545.34473	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	545.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22498	2.1
57.42416	1.8
59.01249	100.0
61.98694	4.6
63.55641	2.1
71.01240	2.8
71.52405	2.5
84.18138	2.0
95.01303	2.7
97.89558	1.9
101.01398	1.8
101.05952	7.4
104.87044	2.1
109.47617	2.2
122.04100	2.3
124.72496	2.1
125.09636	2.6
132.71162	2.2
162.83755	3.6
199.58928	2.2
218.14752	2.1
309.24286	8.3
439.20840	3.7
449.89975	2.5
461.28979	3.2
464.07880	2.6
467.20947	3.3
485.32394	2.1
489.33234	2.3
545.34882	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	545.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01567	1.5
61.81380	1.0
61.98697	6.2
63.04397	0.8
68.99670	1.4
69.03326	1.0
69.72189	5.2
71.01227	1.1
72.99197	1.0
85.02799	1.0
89.82810	0.8
95.01226	1.1
97.02806	1.5
102.37848	0.8
177.48106	0.9
222.85164	0.9
246.17027	0.9
327.19473	1.2
331.19159	3.5
345.18512	1.3
373.20331	1.3
379.19061	1.2
381.20410	1.1
423.21689	2.1
439.21048	3.0
467.20566	6.7
485.22012	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	545.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99535	1.1
52.78152	0.9
59.01250	100.0
61.98700	8.4
64.82494	0.9
68.99688	1.0
69.03325	1.2
69.72289	5.7
71.01258	2.0
72.99171	1.8
86.98287	1.1
98.20538	1.6
101.05955	1.1
113.02318	1.1
114.05357	1.1
121.60793	1.1
129.39839	1.1
140.03951	1.0
157.41768	1.2
171.56346	0.9
331.19220	1.7
381.20599	1.8
423.21872	2.5
461.29224	1.1
467.20514	5.0
485.21573	2.2
545.34589	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	545.2027
Annotation	3-O-Acetylanthothecanolide
Peak:m/z	Relative Intensity
55.01735	1.0
55.04071	0.5
57.03320	2.2
59.01248	100.0
60.01581	1.6
61.98705	1.8
65.70438	0.6
67.01758	41.2
68.14019	0.5
68.99686	8.0
69.03314	0.9
69.35889	5.4
71.01247	10.6
71.01610	0.8
72.99179	0.6
73.02820	5.0
83.01268	2.7
83.04928	0.8
85.02817	12.6
85.03297	1.0
87.00738	0.7
89.02326	4.9
93.03345	0.9
95.01260	1.2
96.33090	0.5
97.06468	0.8
99.00759	1.7
101.02318	6.5
107.04908	0.8
108.02079	1.3
109.02830	1.1
109.06477	1.8
110.82922	0.6
111.00742	2.7
113.02328	7.8
119.03397	2.1
119.04888	3.7
120.05270	1.7
126.66897	0.7
133.06464	1.6
134.06812	0.7
143.03357	1.0
147.08037	0.7
151.03825	0.6
151.07573	0.6
152.01068	1.9
161.04492	2.7
161.54797	0.6
163.07549	0.9
175.32343	0.6
178.41838	0.7
199.13388	0.7
201.11348	1.0
219.06564	3.1
220.06837	2.8
221.07222	1.5
267.17444	0.7
269.15610	1.0
271.13498	0.7
285.18655	0.7
295.16873	1.0
306.84882	0.6
313.14551	0.8
313.18149	1.6
323.26193	1.0
339.12213	3.4
339.44623	0.7
340.12674	3.6
341.12936	6.7
347.18417	3.7
369.20425	0.9
371.18500	3.7
389.19568	3.2
397.20926	0.8
415.21271	9.9
416.21652	1.0
431.20700	2.3
457.22324	9.0
458.22525	1.5
459.20276	4.8
460.20554	1.0
460.84866	0.6
485.30902	3.6
501.21289	62.3
502.21674	8.7
503.32297	3.4
527.28815	1.8
545.19415	4.9
545.33411	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	545.2027
Annotation	3-O-Acetylanthothecanolide
Peak:m/z	Relative Intensity
52.63458	0.5
54.92353	0.6
55.01754	2.2
55.53979	0.6
57.03335	3.3
59.01248	100.0
60.01582	0.8
61.98705	3.7
62.39012	0.6
65.00207	1.1
66.17654	0.6
67.01756	32.6
68.99687	6.8
69.03335	2.3
71.01254	13.2
71.04906	0.9
72.99191	1.2
73.02823	3.4
78.03362	0.6
83.01243	5.9
83.04878	0.8
83.19279	0.7
85.02818	11.7
86.96938	0.7
87.00768	1.3
87.04421	0.7
89.02307	4.3
93.03326	1.4
93.60557	0.7
95.01267	1.7
95.04876	1.2
97.02830	0.8
97.06512	0.8
98.20592	1.6
99.00787	2.4
101.02324	6.5
101.05939	1.6
103.51144	0.7
107.04910	1.0
108.02061	1.0
109.02883	1.7
109.06487	1.8
111.00757	20.5
111.01478	1.2
111.04405	7.3
113.02322	7.6
119.03435	1.4
119.04920	1.4
121.02856	0.9
121.06509	0.9
123.00774	0.9
123.04397	1.6
125.02327	1.2
135.04445	1.4
137.02336	4.7
138.03143	1.6
139.03912	2.9
143.03416	1.4
149.06091	0.8
151.03915	1.5
152.01125	0.7
159.08054	0.8
161.04501	2.8
161.09572	0.7
163.07701	0.8
185.09683	0.7
187.07544	1.0
188.73871	0.6
199.13374	0.8
202.58543	0.7
209.11887	1.0
218.63409	0.7
225.11101	0.8
237.12906	0.8
251.14333	0.9
255.17587	0.8
257.15851	0.9
259.13513	1.0
263.10867	2.4
265.11118	0.8
269.15433	1.5
279.13919	2.3
295.16992	1.7
300.46600	0.7
311.16510	1.4
313.14618	1.0
313.18082	1.5
321.14984	0.9
327.16348	0.9
329.17700	1.6
339.15875	0.7
341.27057	0.8
347.18610	1.2
353.21219	1.1
355.19177	1.7
357.17133	2.0
369.20834	0.9
371.18573	4.3
389.19733	1.9
397.20358	0.9
399.18195	3.4
415.21292	8.8
416.21609	1.9
431.20624	5.6
441.19238	1.7
455.21109	1.4
457.22302	7.0
458.22333	1.1
459.20169	16.7
460.20801	2.0
467.30237	1.4
473.21713	3.2
485.31134	12.5
485.37366	1.1
486.32083	0.9
501.21271	82.1
502.21658	11.5
503.32233	7.8
517.20380	1.0
527.28564	0.8
545.20355	15.1
545.33521	6.7
546.20905	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	544.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53090	0.3
61.98700	100.0
70.29199	1.5
96.60943	0.3
102.97252	0.3
111.42533	0.3
151.50412	0.4
265.00632	0.3
336.47992	0.4
375.91223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.7
59.01249	7.2
62.97851	0.5
71.01255	2.9
71.53061	0.7
72.99162	0.6
73.02814	1.6
76.84218	0.4
83.01259	0.6
85.02814	2.0
85.56646	0.5
89.02306	1.3
91.01730	0.9
93.03333	2.2
96.95857	2.4
96.99171	1.3
101.02301	1.4
102.56564	0.5
103.03884	1.2
108.02044	0.9
109.02792	0.6
111.00750	4.7
113.02296	1.4
117.03368	0.7
119.04908	22.3
121.02833	1.0
123.04427	2.6
131.04926	0.6
132.05667	0.9
133.02815	1.2
134.03625	20.5
135.04420	11.3
136.01501	0.5
137.02312	1.0
143.03421	1.5
143.04851	2.9
145.02820	0.7
146.03607	1.6
147.04358	0.7
148.05161	0.9
149.02400	0.7
149.06009	4.7
150.03154	0.5
151.04021	0.7
158.03586	0.7
159.04375	1.9
161.05945	0.9
163.03912	5.0
164.04651	0.7
173.00923	0.5
173.05899	1.1
178.02579	0.8
183.04420	1.0
187.02415	1.1
193.05037	2.7
201.58168	0.5
205.05045	0.9
211.07579	1.9
226.06316	0.6
235.07587	0.7
239.12865	1.2
241.08650	0.8
251.07109	4.8
252.07816	2.6
253.08604	6.2
254.09370	3.6
265.09134	1.6
279.06644	1.3
280.07413	4.0
285.03796	0.5
295.09857	2.8
313.10797	11.7
314.11276	0.9
324.06305	0.9
339.08783	0.9
357.09766	100.0
358.10110	10.8
385.32855	0.5
485.23080	0.6
545.22070	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44268	0.2
55.01758	1.0
57.03315	1.7
58.00470	0.6
59.01247	100.0
60.01584	0.8
61.98698	2.1
69.03320	0.6
69.64115	1.4
71.01249	25.7
71.04881	0.2
72.01588	0.2
72.99168	1.1
73.02815	5.3
75.00751	0.4
80.96355	0.3
82.91567	0.2
83.01253	2.9
83.04878	0.3
85.02816	11.2
87.00742	1.7
87.04380	2.2
89.02313	12.1
93.03358	0.4
93.56815	0.2
95.01263	2.8
97.02844	0.7
97.06478	0.7
97.99564	0.2
99.00755	2.3
101.02318	12.1
101.88718	0.2
103.03901	0.6
108.02058	0.4
111.00788	0.5
112.01530	0.4
113.02323	21.3
114.02687	0.4
119.03378	4.9
119.04888	0.4
121.02827	0.3
123.08083	0.2
124.01569	0.6
125.02356	1.1
128.20070	0.2
131.03400	0.8
135.04456	0.3
135.11737	0.2
137.02348	0.4
137.09534	0.2
143.03404	2.4
149.04480	0.7
149.09659	0.5
159.02890	1.0
161.04448	8.2
162.04816	0.2
179.05522	2.0
187.11266	0.3
196.83928	0.2
205.03311	0.2
205.12308	0.3
337.16504	0.5
338.16772	0.4
339.12524	0.2
339.17285	0.9
339.25580	0.8
381.22952	0.3
399.23672	0.3
483.22568	0.5
483.29617	10.1
484.29987	1.4
501.30676	5.0
501.37320	0.3
502.31055	0.4
543.28168	4.1
544.29034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
59.28406	1.3
61.98692	2.1
71.52682	2.2
75.00745	2.6
78.95774	2.7
79.95601	1.3
82.73787	1.2
89.00613	1.1
95.44757	1.1
111.08003	2.4
118.05003	1.9
125.09579	2.2
143.10658	2.4
167.01044	1.3
173.08095	1.6
221.45277	1.4
245.08115	6.4
277.21695	15.5
278.21927	2.0
281.09329	1.2
372.27383	1.9
379.84290	1.3
381.20624	6.1
543.33685	2.0
544.42340	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	543.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01650	0.8
54.05576	0.8
55.01746	1.4
57.03328	6.0
58.00473	1.2
59.01250	42.1
61.98702	100.0
69.03318	2.9
70.59042	2.7
71.01251	21.2
71.04877	1.0
72.99179	1.7
73.02816	3.6
76.03738	0.8
79.45148	0.8
81.03307	1.6
83.01252	2.3
83.04884	2.4
85.02827	5.2
87.00738	2.5
88.98652	1.0
89.02313	12.0
93.03321	2.3
95.01263	1.0
95.04902	2.3
96.95879	0.8
97.02830	1.7
97.06473	8.9
101.02322	14.2
101.06004	1.0
103.43748	0.9
107.05007	0.8
109.02843	1.6
109.06466	2.6
111.04298	0.9
111.08028	3.8
113.02331	6.0
119.03360	2.9
119.04884	4.1
120.05214	1.8
121.06477	1.2
123.04391	2.2
123.08027	1.3
125.02309	1.3
125.09603	2.3
135.76033	0.8
137.06021	1.2
137.09613	2.9
143.03386	1.8
145.04953	0.9
149.09622	2.0
151.11177	8.8
153.09126	1.1
153.12711	1.3
155.10641	3.7
161.04422	5.2
163.11156	4.8
165.12784	13.8
167.10672	1.9
169.12224	2.1
171.10175	1.6
171.20428	0.8
177.12674	1.6
179.05440	2.1
179.10687	4.8
181.12276	10.9
183.13808	3.0
185.11754	1.1
191.10754	5.5
191.14334	4.8
191.17825	0.9
197.11790	1.8
205.12286	1.3
207.10184	1.4
209.11771	49.2
210.12086	3.7
211.13333	4.6
213.11150	1.1
214.66620	0.8
217.04904	2.8
218.05414	1.7
219.34100	0.8
224.10452	1.0
225.11224	2.3
227.12851	13.6
235.08185	2.5
237.11256	2.6
245.19101	15.1
246.19257	1.3
253.09267	35.8
254.09644	2.0
261.18564	1.1
263.20169	16.6
271.16962	2.0
279.19547	2.7
289.18091	39.6
290.18430	4.2
307.19138	93.0
308.19510	8.6
323.07513	1.0
337.10611	1.6
338.10916	3.6
339.11099	5.8
381.10379	1.2
415.24713	1.8
445.20795	10.7
446.20667	1.3
460.19800	2.2
483.24356	1.0
525.27246	1.3
543.17249	3.4
543.27588	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	543.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.4
57.03304	4.2
58.00459	1.4
59.01250	82.3
60.01566	1.2
61.98705	10.1
63.96038	1.0
68.99641	1.3
69.03309	4.7
70.68796	3.4
71.01249	19.5
71.04890	6.7
71.63654	1.0
72.99164	2.6
73.02816	8.5
75.00726	1.1
80.02551	1.1
80.96364	1.7
81.03288	1.6
83.01241	4.1
83.04887	1.7
85.02820	9.9
85.33056	1.0
87.00719	2.3
89.02310	8.1
93.03285	2.9
95.01259	2.9
97.02828	8.1
97.06478	6.0
99.00756	33.0
101.02315	10.2
106.91112	1.3
109.06443	3.1
111.00740	2.1
113.02345	12.3
119.03345	3.4
119.04884	8.3
121.02871	1.7
123.04425	1.1
123.08012	3.2
125.02283	1.9
125.09607	14.9
127.11137	2.3
133.06432	1.5
135.07980	1.5
136.05191	1.9
137.02287	1.3
137.09589	1.1
142.02544	2.1
143.03387	1.8
145.02820	2.7
151.00360	1.1
151.11290	1.5
153.12686	2.6
155.14343	1.3
160.03914	1.2
161.04408	3.9
161.09564	3.4
163.02435	1.0
163.03893	4.1
163.11191	17.5
165.09192	1.4
171.10117	2.2
179.05537	2.0
179.10735	6.9
181.12241	28.4
182.12509	1.9
197.11761	27.8
198.12102	1.7
199.13306	16.2
201.11234	10.2
205.04974	1.5
207.10204	50.4
207.12177	2.4
208.10553	2.2
209.11754	13.5
219.06432	3.5
220.06746	1.1
222.14656	1.3
225.11272	84.9
226.11531	5.1
227.12761	1.4
241.10689	3.4
243.12338	72.8
244.12677	3.0
253.09207	1.3
297.13577	1.2
299.14896	3.1
315.14392	1.7
317.16034	40.4
318.16306	3.8
319.15265	1.4
321.24213	2.1
326.82758	1.3
339.12411	9.3
397.20221	2.5
439.31946	3.4
440.32150	1.4
465.28143	2.0
483.29611	5.9
499.19022	2.5
499.25513	5.2
501.30466	3.2
525.26978	25.6
526.27185	4.8
543.27985	100.0
544.20166	2.2
544.28271	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	543.2596
Annotation	[1R-[1R*,2S*(Z),4S*,6R*,8R*(Z),9S*,10S*(Z),11R*]]-1,6-Dimethyl-9-(1-methylethenyl)-7-oxo-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,8,10-triyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
57.03325	0.4
59.01247	2.8
65.00188	0.1
67.01756	32.0
68.02098	0.5
68.99683	7.5
69.03310	0.4
69.25201	1.3
69.25508	0.1
71.01262	0.5
71.04890	0.3
72.99200	0.1
79.71045	0.1
81.03323	0.2
83.01289	0.3
83.04905	0.4
85.02831	0.6
87.00767	0.2
88.95298	0.1
95.01251	0.2
95.04880	0.2
97.06470	0.2
99.00751	0.4
99.08033	0.5
101.05956	100.0
102.06274	1.9
107.04908	0.5
109.02831	0.2
109.06467	0.5
111.00758	2.6
111.04364	0.1
111.08020	0.2
114.46799	0.1
119.08569	0.2
121.06508	0.2
125.02309	0.2
125.05971	0.3
127.07534	1.0
130.75182	0.1
135.04416	0.2
135.08032	0.2
139.07547	0.2
147.04344	0.1
147.08110	0.2
149.09546	0.2
151.07509	0.2
151.11241	0.2
153.09116	0.2
159.08110	0.1
165.12766	0.3
181.12276	0.3
189.12724	0.2
205.12227	0.1
209.11697	0.8
211.13350	0.3
215.10793	0.2
215.14424	0.2
227.12701	0.2
235.11226	0.1
243.13882	0.2
245.15401	0.3
245.19093	0.2
251.10892	0.1
251.14374	0.4
253.09232	0.5
263.20251	0.2
269.15417	0.6
283.16971	0.3
285.18628	0.3
287.12820	0.1
289.18164	0.4
295.13901	0.2
295.16800	0.8
303.19519	0.2
306.09106	0.1
307.19135	1.1
309.18536	0.2
311.16492	0.2
313.14737	0.3
313.18185	0.4
327.19724	0.2
327.23083	0.2
329.21286	0.2
339.16028	0.3
343.18991	0.2
347.18564	2.1
348.18436	0.2
353.21173	0.5
371.18564	1.6
371.22400	0.3
373.20288	0.3
389.19708	1.1
397.19342	0.8
397.23892	0.7
411.25342	0.6
415.21240	2.8
416.21796	0.3
429.26089	0.2
431.24426	1.5
432.24731	0.2
441.19080	0.5
445.20828	0.2
455.23727	0.3
459.20160	1.3
473.25381	2.8
474.25934	0.4
499.27023	11.2
500.27521	1.3
515.26306	0.1
543.25940	35.8
544.26361	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	543.26
Annotation	Physacoztolide D
Peak:m/z	Relative Intensity
50.31771	0.2
57.03316	2.6
59.01257	2.4
61.98705	0.3
67.01756	30.8
68.02095	0.5
68.99683	9.2
69.03329	1.2
70.39087	0.5
70.39474	0.7
71.01245	1.2
71.04901	0.4
79.44019	0.2
80.96938	0.2
81.03326	0.4
83.01262	0.7
83.04897	0.9
83.97394	0.2
84.04385	0.2
85.02833	0.6
87.00767	0.3
89.02331	0.4
91.05403	0.7
95.01256	0.3
95.04889	1.9
97.02856	0.3
97.06460	0.5
98.03577	0.2
99.00764	0.7
99.08058	0.3
101.05956	100.0
102.06281	1.9
105.07020	0.3
107.04886	1.2
109.02805	0.2
109.06467	3.3
110.06599	0.2
111.00752	5.9
111.01484	0.4
111.04408	0.7
113.02320	0.3
113.05949	0.8
119.04820	0.3
121.06466	0.3
123.04388	0.6
123.08041	0.4
125.05982	0.4
127.07542	2.6
133.06517	0.5
135.04411	0.4
135.08073	0.6
138.03148	0.4
139.07526	0.3
141.01976	0.2
147.08052	0.4
151.07463	0.4
151.11281	0.3
157.06488	0.4
159.08035	0.5
161.09610	0.6
165.12761	0.4
173.09637	0.3
181.12164	0.4
185.09657	0.3
187.07475	0.3
189.12743	0.5
203.10701	0.3
205.12155	0.4
209.09715	0.3
209.11707	1.1
211.09665	0.6
211.11438	0.3
213.12788	0.6
231.13896	0.4
239.14400	0.5
251.14435	0.6
253.09306	0.3
257.15463	0.5
263.20032	0.4
267.14151	0.2
269.15451	0.7
279.13712	0.2
289.18188	0.6
295.17072	0.7
307.19266	1.5
319.19226	0.4
345.17139	1.7
347.18616	11.4
348.18878	0.7
353.21265	0.3
357.16873	0.4
359.18488	0.3
363.18057	0.3
371.18552	5.5
371.23035	0.3
372.19098	0.2
373.16544	1.0
385.20227	1.4
387.21609	0.3
389.19687	4.5
390.19992	0.4
397.20172	4.2
398.20755	0.4
399.18036	0.4
413.19409	0.3
415.21268	9.1
416.21555	0.8
429.26422	1.5
431.24738	2.1
441.19193	0.7
445.20340	0.4
455.24432	0.8
459.20190	8.4
460.20526	1.2
473.25339	7.3
474.25598	0.7
499.27002	15.8
500.27292	1.9
515.26654	0.3
543.25946	49.9
544.26270	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	543.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
57.03318	1.2
59.01249	100.0
60.01587	0.8
61.98700	4.0
67.01752	5.5
68.99683	4.0
69.03325	3.7
69.30701	2.8
69.31127	1.8
71.01262	3.8
71.04919	0.5
72.99173	1.3
73.02811	6.6
79.05415	0.5
81.03343	1.0
83.01263	1.9
83.04907	1.3
85.02833	2.3
87.00784	1.0
89.02319	1.2
93.03310	0.5
95.01282	1.7
95.04914	1.3
97.02826	3.8
98.19818	0.7
99.00770	1.5
101.02331	1.8
101.05959	18.8
107.04936	1.5
108.02043	0.6
109.02907	0.7
109.06478	2.7
111.00782	1.7
111.04430	0.7
111.08044	0.7
112.01546	1.1
113.02341	2.2
119.03410	0.6
119.04914	1.0
121.02844	0.6
121.06474	0.7
123.00778	0.5
123.04449	0.8
125.05997	1.1
127.07533	0.9
135.04457	1.6
135.08090	0.7
137.05997	0.7
139.07532	0.8
145.06519	0.6
148.05219	0.5
149.06003	1.1
149.09541	0.5
151.03969	0.7
153.05553	0.8
160.04015	0.5
163.03960	0.8
171.10136	0.8
179.10645	0.6
191.10739	0.8
209.11797	1.4
209.91681	0.5
213.12737	0.5
239.14532	0.5
245.19066	0.7
253.09294	1.0
269.15524	0.7
289.18262	0.8
307.19263	2.6
319.17267	0.8
335.20380	0.9
347.50485	0.5
351.19775	3.0
353.21445	0.7
363.19568	2.2
365.17673	0.5
379.19122	0.8
389.19751	1.0
397.20114	0.9
399.21768	1.6
407.18695	1.5
415.21057	1.0
425.19772	1.8
439.21265	2.8
443.20737	0.9
455.20514	5.0
459.20303	0.9
467.21060	1.3
473.25870	1.1
480.53116	0.5
483.20361	2.2
483.29678	0.5
484.21136	0.5
487.19705	0.7
499.27765	1.0
511.19754	3.7
525.27606	1.1
538.70398	0.5
543.26093	8.8
544.26093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84969	0.4
57.03344	0.8
59.01245	9.1
61.98736	0.9
63.02310	1.4
65.00245	4.9
68.99734	1.1
71.01250	3.5
71.52865	0.7
72.99218	0.6
73.02871	1.3
80.96383	3.5
83.01335	1.1
85.02886	1.8
87.00806	0.6
89.02384	1.2
93.03328	5.5
94.97978	1.0
95.01350	0.5
97.02850	0.5
99.00795	0.5
101.02391	1.5
103.03984	0.4
107.04946	0.5
108.02132	1.4
109.02895	0.6
109.06454	2.3
111.00867	0.6
113.02396	1.6
119.03608	1.5
119.04912	42.8
120.05336	0.7
121.02892	1.2
122.97530	0.5
125.02407	0.9
131.03568	0.5
131.08618	1.5
133.02892	0.7
133.06487	14.4
134.06863	0.6
135.04494	0.6
136.01587	0.8
137.02420	1.1
143.04964	0.5
145.02911	1.1
147.08118	1.0
149.02403	0.9
149.06056	0.9
149.99506	0.4
151.07544	6.3
151.08533	0.5
152.01163	0.6
152.98631	0.4
159.04538	0.5
160.03958	0.6
161.02394	1.5
161.04488	0.6
161.06020	0.7
163.00334	1.5
164.98520	0.5
171.08116	0.5
173.06059	0.7
175.00414	1.2
175.04070	0.4
175.07553	6.3
175.58856	0.4
176.01065	5.1
177.01939	1.2
187.03995	0.6
189.01898	0.6
189.05568	0.8
190.02684	1.4
191.07028	2.0
193.08678	0.9
205.05048	0.9
217.05020	0.8
219.06566	49.9
220.06992	1.9
222.01634	0.6
225.00673	1.0
232.07307	0.7
233.08141	3.1
237.07721	1.2
245.08174	4.5
261.88425	0.4
269.04669	0.5
295.06042	0.8
295.13403	0.9
296.43790	0.5
339.12344	100.0
340.12640	7.3
381.13516	0.6
483.16348	1.1
495.98016	0.5
526.70740	0.4
543.18701	40.6
544.19110	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	543.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.0
61.51111	0.3
63.02276	1.6
65.00195	4.4
67.01797	0.3
68.99683	1.1
69.81074	0.7
69.81488	0.7
71.01244	0.8
83.01249	1.0
88.37646	0.3
93.03328	5.0
98.20550	0.5
105.07027	0.3
107.04916	0.7
107.08532	0.3
107.63670	0.3
108.02020	0.3
109.06468	2.8
109.99928	0.4
113.02315	0.4
117.03332	0.5
119.04912	37.6
120.05251	1.1
122.63129	0.3
124.17286	0.3
125.02233	0.3
129.07013	0.4
131.01288	0.3
131.08575	1.4
131.09419	0.2
133.02852	0.6
133.06479	15.3
134.06812	0.6
135.00801	0.3
136.01556	1.0
137.02361	1.0
145.02837	1.6
145.46100	0.3
147.08047	0.9
148.01567	0.5
149.02309	0.5
149.05986	1.0
151.07538	5.9
159.04424	0.4
161.02380	1.2
161.05995	0.3
163.00282	1.1
164.01025	0.6
175.00340	1.4
175.07567	6.5
176.01060	5.3
177.01796	1.2
177.05534	0.4
185.05930	0.5
189.01903	0.4
189.05531	0.8
190.02701	0.4
190.06250	0.7
191.07100	1.2
193.08684	1.0
200.94588	0.3
203.03397	0.5
203.07030	0.7
217.05017	0.6
219.06567	50.9
220.06885	2.5
222.01698	0.4
233.08157	3.0
237.07726	1.2
245.08182	4.2
246.08353	0.4
283.06177	0.4
295.06094	0.7
297.11264	0.6
323.08615	0.3
339.12341	100.0
340.12674	8.6
384.69138	0.3
483.16577	0.6
483.29541	0.3
501.17633	0.3
543.18665	41.5
544.19000	5.1
548.83118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40019	0.2
57.03313	0.6
59.01247	14.5
60.01586	0.3
61.98697	1.4
65.00187	0.8
65.03829	0.3
71.01254	3.1
71.53309	0.4
72.99189	0.3
73.02801	1.4
75.00725	0.3
80.96393	0.4
83.01277	0.5
85.02818	1.5
87.00761	0.4
87.20947	0.2
87.48431	0.3
89.02314	1.4
93.03332	47.6
94.03675	1.4
95.01240	0.6
95.04936	0.3
95.53628	0.2
99.00755	0.6
101.02299	1.8
107.04904	0.8
108.02081	0.4
109.02830	0.4
109.06461	0.3
111.00734	0.3
113.02331	2.0
119.03485	0.5
119.04915	9.7
121.02842	24.8
122.03196	0.9
125.02360	0.3
131.03453	0.3
131.07010	0.3
133.06462	1.8
137.02339	100.0
138.02676	2.6
143.03505	0.2
151.07544	0.9
161.04448	0.7
171.10190	0.4
175.07573	1.1
176.01074	0.5
177.23926	0.3
179.03441	0.3
191.07086	0.3
219.06566	7.0
220.06918	0.4
225.11314	0.7
233.08209	0.4
241.05016	3.1
245.08232	0.4
299.07724	3.1
339.12338	19.1
340.12717	1.6
370.25739	0.3
381.09637	0.3
397.80356	0.3
483.29590	0.8
501.30627	0.5
525.26410	0.3
543.19739	0.5
543.28796	1.2
544.19116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64391	0.2
57.03305	0.2
59.01245	7.6
60.61914	0.2
61.98698	100.0
67.01745	0.2
69.30054	1.9
71.01258	1.5
73.02821	0.6
81.32838	0.2
83.01250	0.3
85.02816	0.4
87.00776	0.3
87.42152	0.2
89.02326	0.7
97.02829	0.2
97.06493	0.3
99.00717	0.2
101.02312	1.3
101.05991	0.4
106.73647	0.2
111.00825	0.2
113.02326	0.7
113.05958	0.2
116.97163	0.2
119.03405	0.2
150.38602	0.2
152.03429	0.4
161.04536	0.4
163.11217	0.5
166.95982	0.2
183.05217	0.3
185.11743	0.4
191.14389	0.6
197.11914	0.2
200.65526	0.2
207.10219	0.3
209.11729	1.6
225.11325	0.3
237.11334	0.7
243.17561	0.2
245.19092	1.0
253.09277	2.3
270.04227	0.3
270.07770	0.2
289.18079	5.4
307.19125	6.4
307.22601	0.3
397.23880	0.2
399.21613	0.2
415.25070	0.5
464.83472	0.2
501.29697	0.2
525.27319	0.4
538.37250	0.2
542.30646	0.5
543.25464	0.3
543.32080	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1357
Annotation	Scytonemin
Peak:m/z	Relative Intensity
55.01737	1.0
55.81477	0.7
56.13072	0.8
57.03324	0.9
59.01252	6.9
61.98674	1.4
68.99681	4.8
69.03340	1.4
71.00877	1.2
71.01245	7.9
71.52772	1.4
72.99188	1.4
73.02808	2.1
75.00725	2.2
80.96391	1.9
81.03330	1.3
81.15507	0.8
82.85346	0.9
83.01244	3.1
84.90974	0.7
85.02816	10.5
87.00752	4.2
89.02309	2.2
93.03326	2.8
95.01237	2.5
97.02827	1.4
99.00269	0.7
99.00755	7.6
101.02323	5.0
107.04851	0.9
108.02039	1.8
109.02805	2.6
111.00755	4.9
111.04378	0.8
113.02324	10.0
113.99472	21.6
114.99629	1.1
115.00269	12.1
119.04942	1.2
121.02148	0.7
121.02841	6.3
123.04377	1.7
125.02287	1.1
127.00227	4.7
129.01814	3.9
133.02750	0.9
134.03609	3.1
135.04350	0.9
137.02316	2.9
139.00223	2.9
141.01791	1.7
149.01227	1.4
149.02335	17.6
149.05910	1.5
152.00970	2.7
153.01878	0.8
157.01332	6.6
160.03847	0.8
161.04477	0.9
161.05907	1.0
163.03853	2.2
164.03448	1.1
164.04709	15.3
165.05055	0.8
167.03529	0.8
169.01270	3.2
174.01601	22.0
175.02289	3.2
175.11137	3.3
176.02437	0.9
177.09232	1.1
178.02634	1.8
178.06325	0.8
179.07008	2.0
190.02605	1.8
193.04962	4.8
201.08960	0.9
204.99606	1.0
205.04909	3.0
216.00415	1.1
219.10188	1.7
223.06047	10.9
225.00523	1.0
263.09174	1.3
265.07068	1.0
277.05600	44.5
278.05862	2.3
281.06732	4.9
319.07101	0.7
321.05862	1.9
337.07751	99.5
338.08142	5.0
381.15414	3.4
483.11560	5.8
543.13379	100.0
543.19916	4.7
544.13574	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	542.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67909	0.4
59.01248	7.1
61.02053	0.4
61.98698	2.1
66.66116	0.4
67.01762	2.3
68.99675	0.8
69.84644	0.9
69.85036	1.1
71.01248	1.0
73.02849	0.4
81.03272	0.4
85.02805	0.7
86.98756	0.4
89.02309	0.5
101.02302	0.7
101.05961	9.1
109.06453	0.5
117.83641	0.4
238.05151	1.0
240.02966	0.7
268.02576	0.8
269.03235	1.1
270.04202	0.7
278.08121	2.0
279.05408	0.4
280.02512	5.2
280.06097	2.1
281.03214	1.5
282.04062	19.2
283.04504	1.3
289.18204	1.0
290.04199	0.5
294.04144	2.1
294.07669	3.4
295.08243	0.7
296.05435	1.3
296.93155	0.4
304.06146	1.0
306.04337	0.9
306.07724	2.4
307.19000	0.7
308.05643	27.0
309.05966	1.9
322.07193	36.1
323.07947	51.8
324.08206	3.7
336.08511	0.5
337.09561	3.7
338.10318	100.0
339.10590	8.0
371.18527	0.5
470.62967	0.4
473.26471	0.5
499.27155	1.4
542.16650	56.4
543.17029	6.6
543.25928	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	542.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.6
57.03312	3.5
59.01250	100.0
60.01563	2.4
61.98700	23.5
66.78939	1.3
71.01251	37.5
72.01571	1.7
72.99175	2.3
73.02821	10.4
80.17058	1.3
83.01250	3.7
85.02829	14.1
87.00752	2.1
87.04374	2.3
89.02319	15.9
93.03303	2.9
95.01226	3.8
97.02800	1.8
98.03593	1.3
99.00739	2.3
101.02332	15.9
103.03873	2.9
108.02021	2.7
111.04395	1.3
113.02342	22.0
116.04932	1.4
119.03407	7.1
119.04932	2.7
121.02811	6.5
125.02287	2.0
131.03607	1.8
131.61395	1.3
135.04387	4.3
137.02377	2.0
147.04372	2.0
151.00208	1.6
152.01018	3.3
159.03111	1.5
161.04408	5.5
161.07045	3.4
161.49785	1.4
163.03806	3.6
174.04155	2.5
174.05519	40.1
175.00229	2.1
179.05420	2.6
190.02551	3.3
193.04865	1.8
205.04936	2.7
205.12230	1.5
217.08264	1.6
223.06142	1.6
229.80820	2.2
251.08994	2.6
261.11380	1.6
285.03809	2.0
295.08038	2.7
304.10699	3.4
305.11618	1.8
306.12500	2.2
306.15881	3.1
307.13068	1.7
308.10526	2.1
308.13904	4.9
308.17273	1.8
315.06961	1.4
318.12479	3.0
318.15936	12.1
319.15717	3.8
320.13821	4.3
321.07660	2.5
326.38721	1.5
332.13861	4.2
332.17618	5.3
333.14655	2.7
334.11838	3.1
334.15430	5.1
336.13611	1.7
336.17188	9.5
343.07074	1.5
346.11832	3.9
348.13263	2.2
348.17032	10.0
349.16925	2.7
350.14960	2.0
358.15445	2.3
360.17096	7.6
362.14981	7.5
366.14407	4.1
367.10156	3.4
376.12479	2.2
376.16559	7.9
378.18338	7.7
380.16174	3.7
381.15359	6.5
404.10986	2.0
404.16113	26.0
405.70850	1.5
410.13742	3.4
422.17184	18.0
423.17001	1.9
430.13754	4.3
448.15067	86.4
449.15555	7.7
466.15829	5.6
480.17270	3.4
483.16040	3.8
483.29407	2.6
492.13840	4.6
524.16705	10.1
542.17413	60.4
542.24042	5.3
543.18219	6.3
543.31378	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	541.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00446	4.9
59.01249	100.0
61.98697	35.4
63.22509	3.9
65.00195	6.2
67.01751	8.3
68.99703	4.6
70.39133	16.4
71.01256	39.0
71.68976	5.0
73.02818	35.6
75.62396	4.0
83.01248	9.8
85.02802	8.5
88.48474	4.3
89.02323	8.8
92.04981	4.6
93.05372	4.5
101.02338	28.1
101.05952	11.6
113.02352	11.2
119.04906	33.8
149.05966	5.6
170.00148	5.2
209.11928	5.2
217.05020	28.0
254.71555	4.1
275.20154	9.7
293.21164	25.0
337.10776	47.3
338.10983	9.2
381.13391	4.8
437.25641	9.0
455.26425	19.1
481.15332	5.4
497.22012	7.0
497.27649	89.3
498.27954	9.8
541.17133	14.2
541.33893	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	541.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37997	0.8
55.01750	0.9
56.06501	0.8
57.03302	2.7
58.93790	1.0
59.00961	1.9
59.01250	32.7
59.11492	0.7
61.98696	9.1
67.07645	0.8
69.03331	5.6
69.30143	7.0
71.01249	5.8
71.04877	3.3
72.97370	1.2
73.02814	2.8
83.01208	1.1
83.04873	2.3
83.08803	0.9
85.02804	3.1
86.02371	1.8
87.00726	1.3
89.02299	3.0
90.25120	0.8
93.03365	1.0
97.02826	2.8
97.06452	2.7
99.00755	16.7
101.02306	3.6
103.52774	0.9
108.24504	0.7
110.67990	0.8
113.02299	1.1
117.86060	0.8
123.08024	2.7
125.09610	9.5
127.08649	2.5
128.03423	11.6
137.09622	0.9
142.02615	0.8
151.00215	1.2
151.11171	3.8
153.12723	2.0
161.09572	4.6
163.11211	8.1
171.07674	9.3
171.10167	0.8
179.10695	9.7
181.12270	11.2
185.11684	1.2
197.11763	46.1
198.12025	2.5
199.13380	6.2
207.10184	21.7
208.10545	1.0
215.06760	1.0
223.09729	1.9
225.11270	33.2
241.10809	8.0
243.12314	18.0
244.12738	1.0
256.11279	1.2
287.16348	1.1
288.09503	1.0
291.19656	1.1
299.14911	1.3
305.17548	2.3
315.14355	7.9
317.16101	7.9
325.18494	5.7
412.21732	1.0
497.27728	1.9
523.25134	2.0
541.26422	100.0
542.26874	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	541.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.5
59.01244	1.3
61.98691	0.6
64.98141	0.3
67.01757	1.9
69.03304	0.4
71.01247	0.3
71.07611	0.6
72.99170	0.6
78.89301	0.3
83.04897	1.2
85.02821	3.8
85.06448	0.6
87.04387	100.0
88.04722	1.8
89.02371	0.3
91.05389	1.8
95.01251	0.3
95.04912	0.4
99.04397	0.3
100.09743	0.3
100.92425	0.3
101.05922	0.3
109.02858	0.4
111.00784	1.6
111.08049	1.1
116.54686	0.3
121.06480	0.8
123.04439	0.3
127.07513	0.4
129.06978	0.5
131.08583	1.2
135.92210	0.3
143.08583	0.4
147.04399	0.6
148.05154	0.5
149.09628	0.4
171.08083	0.3
175.07532	0.7
197.09703	0.3
199.11057	0.3
201.12764	0.6
209.13397	0.3
210.58075	0.3
211.11201	0.7
225.12805	0.4
227.14386	1.3
229.12407	0.3
243.13924	0.5
251.14342	0.4
255.13950	0.4
267.46954	0.3
275.02768	0.3
295.13339	0.6
315.15924	0.4
316.20026	0.3
322.72491	0.3
333.14847	0.4
335.13004	0.3
341.17484	2.4
351.15918	1.5
365.17435	0.3
377.17618	1.1
378.14456	0.3
391.19226	0.5
395.14969	25.4
396.15274	2.6
403.19177	0.4
421.20370	1.6
422.20554	0.4
439.21036	0.3
453.19476	0.6
483.20215	19.4
484.20523	2.3
523.23853	0.3
541.24591	1.5
544.94299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81045	0.2
51.12982	0.2
57.03323	0.8
59.01245	0.7
61.98687	0.7
65.03813	0.2
67.01749	1.6
69.03345	0.4
72.99176	0.5
73.02820	0.6
79.05395	0.3
81.03331	0.4
83.04892	1.3
85.02822	6.2
85.06478	0.3
85.58457	0.2
87.04389	100.0
88.04713	1.6
91.05411	1.7
93.20035	0.2
95.01263	0.7
95.04920	0.2
99.04414	0.5
101.05930	0.3
101.78645	0.2
109.02821	0.6
111.00782	1.5
111.08069	1.1
115.68758	0.3
121.06474	1.0
129.06993	0.2
131.08556	1.0
133.06467	0.3
135.08028	0.3
145.10164	0.4
147.08009	0.3
148.05287	0.2
149.05994	0.4
152.54254	0.2
157.06465	0.3
157.10159	0.4
159.08096	0.3
175.07565	0.4
183.08038	0.3
185.09645	0.5
196.56778	0.2
197.13394	0.3
199.11250	0.3
201.12799	0.4
204.58278	0.2
209.13142	0.3
211.11226	0.8
225.12689	0.5
227.14366	1.7
237.12764	0.4
243.13947	0.4
245.15565	0.2
251.14494	0.3
255.13783	0.5
259.09634	0.2
272.70584	0.2
295.13391	0.5
307.13528	0.3
315.16180	0.4
315.19687	0.5
333.14917	0.5
335.12759	0.7
341.17450	2.1
343.19327	0.3
351.15854	1.4
365.17651	0.4
375.19675	0.3
377.17545	1.2
395.14957	24.5
396.15302	2.7
403.19180	0.4
421.20248	2.2
422.20639	0.4
439.21222	0.7
453.19333	0.5
483.20224	19.2
484.20581	2.3
523.23395	0.3
541.24408	1.3
541.35333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79899	0.9
57.49118	0.9
59.01246	10.2
61.98688	5.0
65.81158	1.0
68.95229	0.9
71.01236	1.5
71.52498	1.5
73.02791	1.2
87.04385	100.0
88.04725	1.3
92.28925	0.9
149.72050	0.9
169.12297	1.5
181.12115	0.9
242.48080	0.9
245.84752	1.0
315.28873	1.0
347.25879	1.1
430.01309	1.1
488.89178	1.3
541.33844	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21443	0.2
59.01242	1.1
61.98709	0.4
65.00188	3.8
69.24957	1.7
69.25362	0.4
71.01225	0.3
79.05396	0.4
93.03339	4.5
98.19711	0.4
103.05399	1.3
105.06952	1.5
107.04897	3.4
119.04910	46.4
120.05247	1.1
129.07002	2.1
131.04921	5.6
136.98738	0.4
142.77554	0.2
143.04915	0.8
145.02840	0.9
149.05981	7.9
158.03622	0.3
159.04341	0.4
172.05203	0.8
173.05984	9.9
174.03139	0.4
174.06319	0.4
175.03951	2.7
185.05942	0.3
187.03911	1.3
188.04655	0.4
189.05431	0.6
191.07063	0.8
199.03979	0.2
208.83484	0.3
217.04999	41.7
218.05331	2.4
229.05042	0.7
231.06578	3.6
240.27547	0.2
243.06602	1.7
262.04703	0.4
267.97668	0.2
285.12213	0.3
293.11670	0.5
295.10059	0.3
336.10065	0.4
337.10797	100.0
338.11130	9.7
378.34567	0.3
388.09985	0.2
497.27383	0.3
541.17157	8.1
542.17365	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90069	0.5
54.74797	0.6
59.01250	11.0
60.76489	0.7
61.98716	3.0
65.00188	4.6
71.01259	2.1
71.52436	0.7
73.02814	1.6
74.57860	0.6
79.05362	0.6
82.99796	0.6
93.03334	6.4
101.02324	1.0
103.05398	2.0
105.06967	1.4
107.04897	5.6
113.02339	0.8
113.40267	0.6
119.04913	66.6
120.05251	1.8
129.06990	2.1
129.81999	0.6
131.04910	6.4
143.04964	1.5
145.02855	1.8
145.06483	0.7
149.05995	10.7
161.06131	0.6
173.05984	13.5
174.06299	0.8
175.03885	3.1
185.05833	0.7
187.03944	1.8
189.05554	1.0
189.98885	0.7
191.07069	1.6
196.62506	0.6
209.11787	0.8
214.33655	0.6
216.04156	0.7
217.05008	46.9
218.05286	3.0
229.05040	1.4
230.05916	0.7
231.06615	3.8
235.06038	0.9
239.97250	0.6
243.06641	1.8
262.04813	0.6
282.04053	0.7
293.11835	0.9
308.05539	0.7
322.07288	1.8
323.07971	1.2
337.10803	100.0
338.11020	11.7
421.11398	1.2
430.50983	0.7
482.14496	0.8
482.25192	0.8
541.17059	15.3
541.30725	1.2
542.16895	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	541.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	10.4
57.97424	0.4
59.01251	4.4
60.13403	0.4
69.48334	3.5
71.01260	2.3
72.99166	0.7
73.02828	0.9
81.03319	0.5
83.01245	0.6
85.02829	1.2
87.00739	0.5
89.02319	1.0
93.03364	1.0
98.20547	0.5
99.04406	0.7
101.02323	3.7
103.03867	0.4
108.02016	0.6
109.02796	0.5
111.00718	0.6
113.02335	1.0
121.02824	2.2
122.71715	0.5
123.04413	0.6
125.02341	1.1
134.03603	0.7
149.02322	1.4
150.03076	0.5
159.99968	0.5
161.02341	5.7
161.04410	0.7
163.03926	0.6
164.04671	0.8
165.05479	0.6
175.00304	0.7
176.04701	32.5
177.05034	1.2
189.05452	0.4
190.02692	2.5
190.99841	0.6
191.07057	38.6
192.00533	0.7
192.07422	1.9
201.01862	3.0
202.02542	0.7
205.01291	0.7
205.04968	1.7
215.07204	0.6
217.04994	8.3
218.05305	0.7
219.06793	0.5
220.03731	0.8
221.08017	0.9
223.06042	0.9
233.08160	1.1
235.06071	100.0
236.06380	5.8
259.06082	0.5
265.07162	0.5
276.06354	1.4
277.07120	4.7
379.10394	1.5
397.11359	26.4
398.11484	2.3
439.12442	6.4
479.15469	1.4
504.66968	0.5
541.18616	3.1
542.20087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.9
69.59045	3.7
69.59467	1.6
71.01256	5.7
72.99178	2.8
73.02804	1.6
75.00755	0.9
81.03319	2.4
83.01260	1.2
83.04896	7.6
85.02821	1.9
87.00750	1.1
89.02313	2.5
93.03331	100.0
94.03683	2.3
95.01239	0.8
98.20510	1.5
101.02312	4.1
109.02824	1.9
111.00763	1.4
111.04399	39.0
112.04754	1.1
113.02366	2.1
119.01234	1.4
119.03383	0.9
119.04887	1.8
121.02834	2.2
135.04402	1.1
137.02339	59.3
138.02673	1.7
145.02858	1.1
147.04419	0.7
149.02316	10.5
150.03140	1.8
151.03932	2.0
151.07526	1.5
155.03395	20.1
160.03900	5.1
161.04439	1.4
163.03941	2.8
164.04691	11.7
165.01907	0.8
165.05450	1.8
175.00278	8.7
176.01050	4.5
177.05446	0.9
179.07083	3.7
190.02625	25.6
191.03424	10.9
202.92302	0.8
205.04990	43.0
206.05623	5.5
207.02963	1.7
207.06491	1.0
208.03702	3.0
209.04439	1.9
213.85988	0.9
221.08099	5.9
223.06053	28.5
224.06464	1.5
237.07614	1.5
247.06117	2.0
250.04880	1.5
251.11519	0.8
257.40851	0.7
260.72601	0.9
265.07126	19.1
295.01257	0.9
295.08170	9.9
296.88324	0.8
325.09271	12.6
335.09818	1.2
353.08701	8.3
361.12872	2.4
367.05688	1.6
367.10315	34.0
368.10703	2.5
385.11414	5.8
481.13687	1.4
481.22247	1.2
497.16525	7.3
503.18381	1.3
505.13385	8.9
506.12924	1.1
523.14526	2.3
541.15009	7.0
541.25055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56763	2.3
59.01248	79.4
60.65731	2.6
61.98734	3.1
62.09782	2.6
66.66563	3.0
71.01249	40.4
72.65134	2.5
72.95772	2.4
72.99193	6.8
73.02821	14.7
75.50258	2.6
83.01254	5.0
85.02824	12.9
87.00726	6.0
89.02312	20.2
93.03319	3.2
99.00712	4.9
101.02305	29.1
103.03898	8.3
103.24341	2.5
108.02013	4.6
109.02825	6.8
111.04355	3.1
113.02306	14.1
119.03410	11.4
121.02877	13.1
122.03652	16.5
122.06004	5.6
123.04360	3.5
135.04382	3.5
149.02315	12.3
150.03125	8.5
152.07074	11.3
153.07437	3.4
160.04008	4.6
161.02344	5.1
164.04678	8.4
164.97466	2.8
190.02631	7.5
191.03342	3.7
191.10684	3.6
192.06601	9.8
193.06882	5.8
203.10690	21.4
205.05011	9.1
221.08151	4.8
221.11765	44.1
223.06204	6.1
231.10155	6.9
247.13353	4.3
249.11240	10.7
263.09503	3.1
265.07047	9.9
307.10400	3.9
358.69150	3.3
365.15982	30.9
383.12381	6.0
383.17102	78.9
384.17651	6.9
393.15622	5.4
409.18393	3.3
411.16550	30.7
425.18155	100.0
426.18396	12.5
427.19583	9.0
453.17657	49.0
454.17868	6.5
455.15201	15.6
469.20532	15.1
479.15576	4.0
497.16290	54.4
498.16785	8.5
509.17737	4.6
541.19647	25.6
542.19757	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	540.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98363	2.1
57.03315	2.4
58.00458	2.0
59.01248	74.0
61.98699	22.0
65.07888	2.2
69.03335	2.7
69.63095	15.5
71.01245	44.8
72.99165	4.2
73.02815	10.5
76.94247	2.0
78.95767	14.7
82.35081	2.4
83.01254	7.0
85.02818	13.5
87.00739	3.4
89.02299	11.1
93.03359	4.9
95.01263	4.1
95.04912	2.3
96.96858	4.1
97.02800	2.9
99.00755	4.3
101.02320	13.0
103.03896	2.5
108.02021	8.1
109.02818	6.3
111.00771	2.6
113.02325	14.0
115.16911	2.3
116.92742	2.7
119.03377	3.9
119.04916	4.0
121.02835	12.3
123.04362	3.7
125.02301	3.4
133.02859	6.5
134.03650	4.2
135.04468	3.1
137.02315	4.7
148.01563	3.6
149.02364	4.5
150.03166	2.4
151.00374	2.4
152.01074	4.1
152.99477	26.2
153.99814	4.4
155.93712	2.2
159.04498	3.7
161.02368	3.9
161.04527	3.7
163.03928	4.8
164.04660	2.3
165.05281	2.1
175.07539	4.9
177.01807	4.4
191.10759	2.9
196.14134	3.7
203.07060	5.0
203.10689	4.8
219.06599	3.9
221.11792	18.4
223.13329	8.2
224.13673	9.7
237.16574	2.2
241.01056	4.3
242.01595	2.9
245.11691	3.7
247.09818	3.1
259.13171	3.1
262.10861	2.2
264.77899	2.7
269.04367	5.8
275.12991	3.4
315.04813	6.6
319.15460	3.8
335.14676	4.7
336.15128	11.6
347.14957	2.9
362.34744	2.4
365.15936	9.4
378.16272	5.2
379.17932	2.3
383.17117	6.5
391.13669	3.7
407.17307	10.7
409.14999	3.9
433.14957	2.9
451.16077	100.0
452.16434	15.0
454.17099	5.2
478.16675	11.1
496.18274	37.9
497.19092	4.2
522.22601	3.6
540.19110	30.9
541.27747	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	540.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00955	3.5
59.01249	66.5
60.77677	2.0
61.98695	4.6
69.40298	3.4
69.40707	14.8
71.01250	25.5
73.02818	7.9
73.69378	2.0
81.03327	4.7
83.01257	5.1
85.02827	6.8
87.00751	5.3
101.02332	6.1
108.02044	5.4
109.02832	3.7
113.02285	5.8
121.02822	4.9
122.03598	3.6
125.02325	7.9
125.21319	2.0
129.98840	2.1
135.04416	2.3
144.93250	2.5
149.02298	2.5
152.01042	4.1
161.02390	5.3
163.03894	2.3
165.01913	3.9
177.01904	2.8
181.74945	2.0
191.03397	3.7
203.07004	7.4
203.10712	4.7
221.11725	8.9
229.08557	3.1
235.02580	2.7
247.09749	11.0
249.11278	3.3
258.83298	2.2
273.11157	3.3
287.12927	2.5
299.18631	4.3
301.10831	4.2
319.12070	5.8
329.13806	3.6
347.15076	6.2
356.05334	2.5
356.90128	2.9
365.16043	4.0
378.16452	4.5
391.13824	11.6
407.17050	3.3
408.17255	3.9
409.15109	5.8
433.14969	6.0
451.16068	100.0
452.16290	10.6
454.17014	6.4
478.16959	13.2
495.18658	10.0
496.18219	90.4
497.18369	11.6
540.20752	11.9
568.98938	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	540.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98363	2.1
57.03315	2.4
58.00458	2.0
59.01248	74.0
61.98699	22.0
65.07888	2.2
69.03335	2.7
69.63095	15.5
71.01245	44.8
72.99165	4.2
73.02815	10.5
76.94247	2.0
78.95767	14.7
82.35081	2.4
83.01254	7.0
85.02818	13.5
87.00739	3.4
89.02299	11.1
93.03359	4.9
95.01263	4.1
95.04912	2.3
96.96858	4.1
97.02800	2.9
99.00755	4.3
101.02320	13.0
103.03896	2.5
108.02021	8.1
109.02818	6.3
111.00771	2.6
113.02325	14.0
115.16911	2.3
116.92742	2.7
119.03377	3.9
119.04916	4.0
121.02835	12.3
123.04362	3.7
125.02301	3.4
133.02859	6.5
134.03650	4.2
135.04468	3.1
137.02315	4.7
148.01563	3.6
149.02364	4.5
150.03166	2.4
151.00374	2.4
152.01074	4.1
152.99477	26.2
153.99814	4.4
155.93712	2.2
159.04498	3.7
161.02368	3.9
161.04527	3.7
163.03928	4.8
164.04660	2.3
165.05281	2.1
175.07539	4.9
177.01807	4.4
191.10759	2.9
196.14134	3.7
203.07060	5.0
203.10689	4.8
219.06599	3.9
221.11792	18.4
223.13329	8.2
224.13673	9.7
237.16574	2.2
241.01056	4.3
242.01595	2.9
245.11691	3.7
247.09818	3.1
259.13171	3.1
262.10861	2.2
264.77899	2.7
269.04367	5.8
275.12991	3.4
315.04813	6.6
319.15460	3.8
335.14676	4.7
336.15128	11.6
347.14957	2.9
362.34744	2.4
365.15936	9.4
378.16272	5.2
379.17932	2.3
383.17117	6.5
391.13669	3.7
407.17307	10.7
409.14999	3.9
433.14957	2.9
451.16077	100.0
452.16434	15.0
454.17099	5.2
478.16675	11.1
496.18274	37.9
497.19092	4.2
522.22601	3.6
540.19110	30.9
541.27747	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	539.2648
Annotation	CHEBI:68152
Peak:m/z	Relative Intensity
57.03312	0.6
59.01259	0.5
67.01765	1.7
70.13259	1.3
79.01759	28.6
80.02091	0.4
80.96378	0.6
81.03326	1.2
83.04903	0.3
84.15401	0.3
91.05417	0.5
94.98039	0.3
95.04914	0.9
101.05951	8.7
107.01264	100.0
108.01573	2.5
109.02828	9.4
109.03589	0.3
109.06483	1.3
111.00710	0.3
115.12785	0.3
133.02783	0.3
134.43271	0.3
135.08069	0.3
139.00175	0.3
161.09555	0.3
165.09087	0.3
171.10208	0.3
173.06068	0.2
174.73767	0.3
175.07617	0.3
183.04730	0.3
189.05559	0.4
193.08614	1.0
199.07494	0.3
211.07591	0.3
211.09637	0.6
229.12276	0.4
269.15405	0.4
274.07330	0.4
279.13800	0.8
335.17126	0.3
345.17145	2.9
347.18607	6.2
348.18942	0.4
359.18600	2.1
409.20096	0.5
413.19830	0.8
427.21246	4.5
428.21692	0.5
431.24475	1.3
437.19901	1.5
439.17505	0.5
455.20721	17.6
456.21054	1.9
497.24942	0.3
539.26453	28.5
540.26855	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.2
58.00460	0.9
59.01248	27.0
61.98697	2.2
63.86944	0.5
70.08311	2.3
71.01250	15.1
72.05064	0.4
72.31005	0.4
72.99190	1.5
73.02814	1.5
75.00740	0.7
80.24406	0.4
83.01257	1.5
85.02822	15.3
87.00768	1.5
89.02316	12.8
93.03362	0.7
94.95795	0.4
95.01264	0.9
98.20599	0.4
99.00776	0.6
101.02320	11.0
103.03884	31.7
105.96616	0.5
106.04124	14.1
107.04946	3.1
113.02335	6.3
115.03983	0.5
116.85405	0.5
119.03390	6.1
119.04922	1.8
124.36188	0.5
138.03122	4.8
143.03371	0.8
145.04927	1.4
149.02298	0.9
159.08051	0.6
161.04463	0.8
173.05989	0.6
175.11189	15.0
176.11598	0.6
180.16312	0.5
182.02078	0.7
185.09558	2.4
203.10732	2.0
228.27652	0.5
229.15898	1.9
247.16969	3.0
265.09274	73.3
266.09647	4.3
291.16016	32.2
291.19363	1.0
292.16470	2.4
305.17651	2.2
317.20993	0.7
333.17065	22.8
334.17325	1.8
335.15277	0.5
363.18097	1.8
393.19171	8.7
394.19406	1.0
435.20020	2.1
453.21225	0.9
521.23706	0.9
539.24908	100.0
540.17169	0.7
540.25269	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	537.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.5
61.98690	0.6
64.39157	0.2
67.01753	1.7
68.54640	0.2
71.04889	0.3
71.22134	0.4
71.43851	0.2
72.27769	0.2
72.99165	0.5
81.03288	0.2
83.04900	0.7
85.02822	0.7
91.93116	0.2
95.01266	0.7
95.04893	0.5
99.08024	0.2
101.05958	100.0
102.06286	2.0
111.00771	3.9
121.06465	0.4
125.09616	1.3
133.06520	0.3
147.04445	0.3
148.05165	0.4
171.11687	1.0
183.11729	0.3
187.11244	0.2
197.13206	0.3
209.11513	0.2
239.18378	0.2
249.16403	0.5
251.14445	0.5
267.17505	4.5
268.17831	0.3
283.16919	0.4
295.16904	0.8
317.19229	0.3
347.20111	0.4
361.18167	0.5
363.19641	0.8
373.18240	0.6
375.16068	0.3
381.20734	2.8
382.21048	0.3
391.19128	5.3
397.03348	0.3
435.18100	3.9
436.18408	0.3
493.25952	0.7
537.25043	0.4
537.32544	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.2
67.01759	0.4
71.00791	0.3
71.01142	0.2
78.95774	0.2
79.01746	0.2
83.04929	0.4
101.05955	100.0
102.06282	1.6
107.01263	1.0
111.00759	0.2
116.37264	0.2
121.06458	0.2
125.09601	0.2
138.99347	0.2
145.10056	0.2
187.09793	0.2
230.96031	0.2
267.17398	0.3
365.21310	0.2
381.20642	0.4
391.19202	0.7
409.20032	0.2
435.18002	2.1
436.18314	0.3
437.26550	0.2
537.25043	1.4
538.24713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89253	1.0
59.01253	19.6
61.98704	6.3
69.28510	7.2
69.28942	3.1
71.01249	4.9
73.02790	2.2
73.93929	1.1
83.01267	1.3
85.02833	2.5
87.04391	1.2
89.02341	1.7
101.02322	2.9
103.00316	0.9
105.06967	1.1
119.04921	1.2
121.02863	2.4
132.04424	1.1
135.04424	14.4
136.04706	5.1
136.07602	8.0
149.05981	13.5
150.06326	7.2
151.02644	4.0
151.07127	3.4
160.03917	1.4
177.05460	4.6
178.05901	2.3
179.03433	1.2
183.01685	4.1
192.06570	5.2
196.30432	1.0
205.08707	5.1
206.09016	5.3
220.10985	34.0
221.11342	28.1
222.11867	2.0
234.08614	1.0
237.13438	1.0
245.08221	2.2
246.08456	1.8
261.14883	1.2
262.15030	1.6
264.09998	44.8
265.10361	41.4
266.10550	3.3
272.12772	2.1
274.14554	9.6
315.15991	1.4
316.16360	2.6
333.17026	50.5
334.17392	100.0
335.17761	7.1
341.15030	4.0
388.43442	1.5
434.18265	1.6
452.19272	4.6
478.21603	1.2
494.20273	25.4
495.20667	3.6
538.23596	13.0
541.72894	1.1
544.34259	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73530	0.4
56.64496	0.4
56.66305	0.4
59.01246	6.8
61.98695	1.8
69.27254	3.2
69.27663	0.5
71.01244	1.9
73.02804	0.6
83.01236	0.6
85.02824	0.6
85.06437	0.4
87.04361	0.5
89.02326	0.5
96.38224	0.4
98.20511	0.7
101.02301	1.1
103.03909	0.5
105.06973	0.8
108.13016	0.4
113.02308	0.4
121.02805	0.5
135.04411	13.3
136.05115	0.9
136.07556	0.5
137.05942	1.2
149.05981	16.2
150.06750	5.9
151.07556	0.5
162.02919	0.4
176.04665	0.7
177.05493	4.3
177.09120	0.4
193.04936	0.6
194.05754	0.8
205.08630	9.9
220.10989	46.1
221.04482	0.9
221.11530	3.7
233.08142	1.5
245.08105	3.1
247.09644	0.7
261.14902	3.0
264.09998	60.4
265.10583	4.6
273.14935	1.0
274.14252	0.4
289.14703	0.5
289.18066	0.8
302.15469	0.5
303.16351	0.4
315.15952	1.7
316.16345	0.5
333.17050	100.0
334.17386	9.5
341.15268	0.6
477.21436	0.9
494.20392	1.1
495.22003	2.0
506.64407	0.4
522.56824	0.4
537.23230	7.3
538.23907	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	537.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.6
61.98693	1.4
67.01743	2.6
71.52499	2.2
83.04896	2.6
84.73351	1.1
93.44662	1.1
101.05953	100.0
111.00748	10.4
125.09621	1.4
128.27786	1.2
171.10229	2.0
171.11737	3.2
267.17487	11.6
268.17899	1.6
277.16003	1.8
295.16989	2.4
347.20111	2.4
363.19727	3.8
381.20474	2.2
391.19061	21.8
392.19418	3.0
435.17996	12.3
436.18271	1.3
460.66476	1.4
483.59314	1.4
537.24915	2.9
537.32397	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	537.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.6
57.03318	2.9
58.00457	1.0
59.01247	20.7
59.42518	0.5
67.42640	0.6
71.01252	11.6
72.99181	0.5
83.01255	1.3
85.02822	15.1
87.00745	0.9
89.02306	13.2
93.03329	1.8
95.01291	1.0
96.49021	0.6
99.04408	0.9
101.02322	8.3
103.03882	29.1
106.04122	11.9
107.04906	1.4
113.02326	4.5
119.03386	5.7
119.04865	0.6
131.03340	1.0
138.03123	2.3
145.04919	1.9
147.08105	1.0
149.02301	1.2
150.03094	1.5
158.81448	0.6
159.06483	0.6
159.08049	1.0
161.04497	0.5
166.81085	0.5
171.62978	0.5
175.11205	6.9
179.05511	1.3
182.02127	1.6
203.07124	1.0
215.14299	1.3
219.10233	0.9
227.14368	1.6
245.15359	2.9
247.08221	1.3
265.09265	73.5
266.09552	2.7
289.14441	32.8
290.14917	2.2
303.16028	1.9
331.15488	21.6
331.19522	0.6
332.15717	1.9
361.16425	2.7
387.35953	0.8
391.17603	8.3
427.25119	0.6
433.18744	1.7
451.19299	1.0
537.23370	100.0
538.23657	12.9
554.04114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73530	0.4
56.64496	0.4
56.66305	0.4
59.01246	6.8
61.98695	1.8
69.27254	3.2
69.27663	0.5
71.01244	1.9
73.02804	0.6
83.01236	0.6
85.02824	0.6
85.06437	0.4
87.04361	0.5
89.02326	0.5
96.38224	0.4
98.20511	0.7
101.02301	1.1
103.03909	0.5
105.06973	0.8
108.13016	0.4
113.02308	0.4
121.02805	0.5
135.04411	13.3
136.05115	0.9
136.07556	0.5
137.05942	1.2
149.05981	16.2
150.06750	5.9
151.07556	0.5
162.02919	0.4
176.04665	0.7
177.05493	4.3
177.09120	0.4
193.04936	0.6
194.05754	0.8
205.08630	9.9
220.10989	46.1
221.04482	0.9
221.11530	3.7
233.08142	1.5
245.08105	3.1
247.09644	0.7
261.14902	3.0
264.09998	60.4
265.10583	4.6
273.14935	1.0
274.14252	0.4
289.14703	0.5
289.18066	0.8
302.15469	0.5
303.16351	0.4
315.15952	1.7
316.16345	0.5
333.17050	100.0
334.17386	9.5
341.15268	0.6
477.21436	0.9
494.20392	1.1
495.22003	2.0
506.64407	0.4
522.56824	0.4
537.23230	7.3
538.23907	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	537.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76380	0.4
53.96046	0.5
55.01739	0.5
57.03323	3.4
57.65918	0.4
58.00463	0.7
59.01248	19.1
69.47133	3.7
71.01250	10.9
72.99176	1.0
73.02829	0.9
83.01260	0.8
84.85912	0.4
85.02820	16.3
87.00743	1.1
89.02312	12.5
93.03317	2.7
95.01280	0.8
100.69820	0.4
101.02320	8.2
103.03886	29.9
106.04117	8.8
107.04947	0.7
107.68855	0.4
113.02327	5.2
117.05445	0.6
119.03381	5.3
121.02845	1.4
123.08038	4.7
131.03374	0.7
138.03111	1.6
143.03432	0.6
145.04955	1.5
146.07211	0.6
149.02306	2.9
150.03117	1.8
172.08870	1.0
179.05482	0.8
182.02098	2.0
187.11182	8.0
189.05508	0.9
191.06673	0.5
196.03754	1.0
224.03172	0.5
227.14352	1.2
229.12262	3.0
231.10233	1.0
245.15378	0.6
247.08253	0.9
265.09262	79.1
266.09702	2.9
288.13361	1.1
289.14429	30.0
290.14767	1.9
303.15927	1.9
331.15469	19.8
332.15808	1.2
361.16574	1.9
391.17569	10.1
392.18008	1.2
392.56277	0.6
433.18622	1.5
451.19739	0.7
492.19595	0.8
496.38901	0.6
537.23370	100.0
538.23669	11.6
538.29791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1609
Annotation	Fraxamoside
Peak:m/z	Relative Intensity
55.01772	0.9
57.03338	1.7
57.54238	0.7
59.01254	10.2
61.98717	1.3
65.00215	2.9
69.39196	5.6
71.01253	8.0
72.99191	1.1
73.02847	1.9
81.03371	2.0
83.01246	3.8
85.02824	4.9
87.00759	0.7
89.02327	4.2
90.37296	0.7
93.03333	11.1
95.01292	2.2
97.02896	0.7
101.02320	5.4
107.01258	4.2
108.02052	50.5
109.02847	28.9
109.03594	0.7
110.03227	1.2
113.02361	2.9
119.04906	0.8
121.02880	2.4
123.00799	1.4
123.04476	1.4
125.02316	8.1
131.01317	0.7
133.02846	0.7
135.00740	0.7
136.01511	1.1
137.02341	23.8
149.02434	1.6
151.00282	18.4
151.03947	1.3
152.01054	65.3
153.01852	17.3
159.53075	0.6
161.02399	0.7
161.04510	1.5
163.03972	1.4
165.01942	1.3
165.63336	0.7
167.03554	0.9
168.00641	0.9
169.01364	6.1
174.76137	0.7
175.00388	2.2
190.02730	2.4
191.03458	0.8
193.01492	1.1
199.99593	0.7
205.05153	2.3
221.04581	1.1
265.09265	0.8
281.06622	11.7
304.13550	0.9
391.10138	3.9
402.45117	0.8
435.09546	2.9
452.26666	0.7
464.65564	0.8
527.42285	0.8
537.16479	100.0
538.16779	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	537.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55501	3.9
59.01251	44.1
71.01261	14.1
71.33020	9.3
73.02813	13.0
85.02833	8.6
89.02309	10.4
90.00275	4.2
93.03307	6.7
101.02341	9.1
102.30788	4.2
103.03900	13.9
106.04121	17.4
113.02384	7.2
113.99493	17.5
123.07957	4.7
143.46106	4.7
163.32976	4.8
187.11220	20.5
196.66524	4.6
245.15399	7.1
265.09164	26.1
289.11462	8.6
289.14444	100.0
290.14801	6.0
331.15527	16.4
368.50806	5.8
493.20627	38.0
517.60083	4.4
537.23303	64.5
537.31152	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	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	64.9
59.79076	2.8
61.98708	3.8
65.82590	3.0
69.38110	2.5
71.01242	23.4
72.99164	3.0
73.02821	27.8
75.00742	3.4
81.50740	3.0
83.01237	8.3
85.02831	7.6
89.02296	4.5
93.03303	3.3
95.01260	6.4
97.19209	2.6
98.19842	6.9
101.02301	19.3
106.04115	18.4
107.04948	7.5
109.02821	3.3
113.02323	10.2
113.99461	20.2
121.02865	3.9
138.03160	6.9
166.08154	2.5
175.11177	17.7
197.33481	2.8
198.04741	2.6
214.06042	3.1
227.14201	3.9
229.08635	21.8
229.15935	2.9
243.06598	3.8
245.15363	5.3
251.75316	3.0
269.04428	5.5
271.13388	3.8
289.14429	100.0
290.14746	8.4
303.15955	6.6
308.36148	3.7
315.15955	9.9
331.15396	16.0
333.13431	5.5
433.18683	5.8
492.19751	6.3
493.20758	35.1
494.21033	7.9
519.20416	4.3
537.22522	16.2
537.30725	6.7
538.23193	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	537.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21993	0.6
57.03299	0.7
58.21928	0.6
59.00998	0.8
59.01249	12.0
59.45138	0.6
60.01566	0.7
61.98693	1.8
69.03316	2.7
70.83833	1.8
71.01257	7.8
71.56550	0.6
72.99157	0.9
73.02813	2.5
75.00733	0.6
79.01747	0.7
79.95616	3.6
80.96397	1.4
81.03356	1.1
83.01260	2.2
85.02825	4.5
87.00755	0.7
87.93933	0.6
89.02295	2.2
93.03321	2.1
95.01254	3.6
96.01549	0.7
96.95888	0.8
97.02818	2.6
101.02316	3.5
103.03897	0.9
107.01243	2.3
108.02050	41.3
109.02863	19.7
110.03169	1.1
111.00735	1.1
113.02310	2.4
119.03379	1.3
121.02851	4.0
123.00771	11.2
123.04401	1.5
124.00620	9.8
124.01541	21.1
125.00958	1.0
125.02341	18.9
128.03444	0.7
133.02805	0.7
134.03615	1.0
135.00783	2.7
135.04341	1.0
137.02333	4.2
139.00270	2.4
139.03862	0.7
140.00990	1.1
147.00742	0.8
149.02342	5.4
149.99481	13.6
150.03036	1.5
151.00258	6.6
151.03862	2.7
152.01053	48.2
153.01846	18.6
153.05403	1.2
154.02242	1.0
163.00197	2.9
163.03891	2.2
164.01003	1.2
164.04697	2.3
165.01817	3.5
166.02335	0.8
166.99748	1.1
167.03377	3.0
168.00546	61.1
169.01294	4.6
169.04997	1.1
172.34802	0.7
175.00238	3.3
175.03828	0.8
176.01060	2.5
177.01840	3.0
178.02562	2.9
178.99637	0.7
179.03429	1.6
179.07043	0.8
181.01350	1.3
182.02011	1.2
183.06541	0.8
189.01848	1.6
190.02623	5.5
190.99823	3.8
191.03394	2.7
192.00497	2.7
193.01308	1.4
193.04930	2.7
195.02913	1.2
205.04965	4.9
206.02135	6.5
207.02861	3.1
209.04463	0.9
221.04500	5.0
223.06067	3.7
225.03952	0.9
227.16591	0.9
229.14290	1.5
239.05531	2.3
241.14354	0.9
243.02994	0.8
265.07214	1.0
270.04309	1.3
284.03568	0.7
285.04062	0.8
287.01978	1.1
289.16626	1.1
297.06131	3.1
304.50006	0.8
313.05804	0.9
315.01306	1.5
315.07196	37.7
316.07596	3.5
324.66983	0.6
325.09317	1.1
331.06570	6.6
332.01782	0.8
332.07001	0.8
337.05267	0.7
339.07092	2.0
367.10324	1.8
424.12079	0.7
461.10605	0.7
493.13501	1.1
505.09952	11.0
506.10806	1.7
509.12927	0.7
519.11676	2.2
537.12488	100.0
537.25507	2.6
537.32336	5.3
538.12732	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	537.1247
Annotation	6-Hydroxymyricetin 6,3',5'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
55.84525	0.6
57.03321	7.1
59.01245	7.6
61.52174	0.6
61.98703	1.1
65.00198	13.2
69.19076	6.9
70.64897	0.7
71.01261	3.9
73.02821	0.9
79.43957	0.6
81.03334	2.2
83.01253	13.2
85.02827	1.5
89.02327	2.7
93.03368	1.3
95.01227	0.8
97.02806	1.4
101.02335	1.8
107.01268	19.5
108.02084	1.3
109.02851	2.4
113.02322	1.8
119.04931	0.8
121.02835	2.4
124.01545	4.3
125.02336	39.5
126.02613	1.0
131.01280	1.5
135.00824	1.0
137.02367	1.7
139.03867	2.1
149.02367	6.3
149.99515	0.8
150.03081	1.1
151.00272	88.7
152.00658	3.4
153.01857	1.5
161.04430	0.8
163.03900	0.9
164.04697	3.3
165.01822	2.1
167.03413	1.0
168.00560	3.3
169.01334	23.4
170.01666	0.9
175.00285	11.3
176.01054	2.1
183.97881	0.7
190.02646	11.4
191.03391	2.7
193.01352	3.9
205.04997	8.0
209.04425	0.9
211.02412	0.9
223.06117	2.2
251.27451	0.6
265.09277	0.8
302.88257	0.7
317.71457	0.7
454.37198	0.6
519.10980	0.7
537.12427	100.0
537.33746	3.5
538.12854	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	536.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44809	0.5
55.01754	0.6
59.01250	30.7
60.01594	0.5
61.98685	2.2
65.03829	1.1
67.01756	1.2
69.03302	1.1
71.01257	12.2
71.52532	1.0
73.02814	10.7
80.02524	0.6
81.03313	0.8
83.01264	3.1
83.04890	2.5
85.02800	2.4
87.00748	2.0
89.02298	1.6
91.01757	1.1
93.03312	2.1
95.01266	0.9
95.04877	0.7
96.36205	0.5
97.02838	1.1
99.00751	1.3
101.02306	7.2
103.03888	0.9
106.04118	1.6
107.01273	0.7
107.04895	1.6
108.02058	5.0
109.02836	4.1
113.02302	2.0
119.03475	0.6
119.04893	1.1
119.08602	0.5
121.02841	8.8
122.03629	5.1
123.04407	1.0
124.01513	0.9
125.02316	1.2
130.04149	5.2
131.03439	0.5
133.02870	3.1
135.04424	1.7
135.46593	0.6
136.01566	3.5
137.02299	1.2
138.03062	0.6
143.03401	0.7
143.04904	4.0
144.05728	3.2
145.02837	6.9
145.06494	6.3
147.04346	0.9
148.01552	0.9
149.02341	4.9
149.05978	0.6
150.03119	1.9
151.00296	0.6
151.03923	0.8
152.01077	3.3
153.01810	1.0
157.06491	4.6
158.07256	0.9
159.04440	2.8
159.08035	3.9
161.02357	6.8
161.04465	0.7
161.05943	1.7
162.03023	1.7
163.03915	3.2
165.01826	3.3
166.02562	1.2
169.06503	1.7
170.07239	0.7
171.08134	1.1
173.06003	1.2
173.09572	1.8
174.03136	0.7
174.06715	0.6
175.03893	1.2
175.07570	1.0
177.01843	8.6
177.09207	0.6
178.02293	0.5
181.06485	1.4
183.08066	0.7
187.03914	9.7
188.04703	6.1
189.05444	1.7
190.06224	0.7
195.08096	0.9
197.09610	0.7
201.05475	3.3
202.06256	1.0
203.07036	6.2
203.10692	1.1
204.04230	0.8
205.05029	1.2
206.05775	2.2
207.07951	0.7
209.09659	1.9
210.10469	0.8
213.05446	0.8
215.06940	1.0
216.06633	2.0
219.06578	1.9
219.29501	0.5
220.44832	0.5
223.11194	1.5
225.12781	2.3
227.06937	0.7
227.14311	4.7
230.08044	0.5
233.44583	0.5
241.12227	1.6
243.13843	5.0
243.16635	0.7
244.14009	0.6
245.15372	3.7
253.08748	0.8
255.10280	0.7
255.13872	0.7
260.20691	0.5
261.14880	1.8
265.09268	1.3
267.10284	0.9
269.11810	43.4
270.12311	4.4
271.13376	30.1
272.13730	2.3
283.13315	1.2
285.14899	1.3
287.12866	70.0
288.13287	5.5
289.14447	35.5
290.14752	2.6
296.12906	1.0
297.14966	0.9
298.14410	2.8
299.16599	1.6
301.14359	0.6
305.13980	1.4
313.14532	0.8
314.13907	3.0
315.15897	0.7
316.15494	13.7
329.13824	3.4
331.15433	0.9
332.14990	0.7
387.17856	0.8
395.15125	0.7
413.15778	0.6
431.17044	7.0
449.18045	1.6
465.21216	1.2
473.18311	2.5
491.19202	73.7
492.19611	7.6
494.20316	0.8
509.20200	1.4
518.20288	9.7
519.20544	0.8
536.21350	100.0
536.37366	3.7
537.21667	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	536.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00528	0.6
59.00993	4.8
59.01320	45.3
61.98772	4.1
67.01825	0.9
68.99744	0.8
69.03372	1.3
69.17720	6.8
71.00903	1.2
71.01337	14.2
72.99265	2.8
73.02908	5.5
80.02602	0.8
83.01346	2.1
83.04945	1.4
85.02929	4.2
86.00068	1.9
86.03245	0.6
87.00848	4.2
89.01929	0.9
89.02418	2.7
91.01843	1.2
93.03416	1.7
95.01331	1.2
97.02925	2.1
98.20580	1.5
98.78963	0.6
99.00861	2.3
101.02433	5.2
103.04002	2.2
106.04231	1.7
107.05011	1.7
108.02071	4.2
109.02826	3.0
111.00881	0.9
113.02341	3.6
115.14453	0.6
119.03487	1.0
119.04955	1.2
121.02843	8.5
122.03635	7.1
123.00819	0.6
123.04525	0.9
123.08170	0.6
124.01672	2.4
125.02451	2.0
128.25708	0.6
130.04126	4.5
133.02966	2.9
135.00865	1.1
135.04495	1.2
136.01575	1.4
136.05202	0.7
138.03256	0.8
143.04932	3.3
144.05772	1.3
145.02890	1.2
145.06506	3.4
146.03728	0.8
147.04509	1.3
147.08211	0.7
148.01659	1.0
149.02327	3.9
150.03264	2.7
152.01204	2.8
153.01869	1.1
157.06499	4.1
158.07358	1.2
159.04555	2.8
159.08090	3.9
160.05255	1.2
161.02336	10.5
161.06105	0.7
162.03275	2.0
163.04016	1.6
165.01837	5.1
166.02736	2.7
171.08163	1.1
173.06062	1.2
173.09642	0.8
174.03271	1.1
175.04053	2.0
175.07666	2.1
177.02031	2.7
177.09265	0.7
183.08266	0.8
185.06145	0.8
187.03961	3.3
187.07660	1.1
188.04845	1.8
189.05533	0.9
190.06378	0.9
191.10684	4.8
194.02167	0.8
201.05553	3.2
202.06328	1.1
203.07072	8.2
203.10732	0.8
216.07930	0.7
217.08841	1.2
219.06660	1.1
227.14525	2.7
229.12415	1.8
239.40608	0.6
241.12495	0.7
243.13824	3.9
245.15515	3.3
251.10437	0.6
258.00549	1.0
261.14908	5.8
261.17255	0.6
265.09323	3.1
269.11984	3.1
269.15646	0.8
271.13382	18.6
272.13925	1.7
273.02948	1.8
273.15128	0.8
285.15155	2.5
287.12936	9.9
287.16205	1.2
288.13364	1.5
289.14444	23.6
290.14880	1.7
297.15009	1.6
298.14600	1.2
299.16678	2.6
300.13559	0.8
301.02255	4.0
302.03024	4.8
303.16202	1.1
305.13815	2.9
311.12924	1.6
313.14468	2.2
315.12714	0.7
315.15668	3.0
316.04642	7.8
316.15872	2.0
317.05295	3.9
326.15445	0.9
327.15900	3.4
329.14020	2.0
331.07077	2.8
332.07666	6.4
333.08322	0.9
333.13580	0.8
341.17590	1.6
347.15088	1.1
357.13431	0.9
369.17068	4.5
375.14746	0.7
387.18179	3.8
395.14865	1.2
405.19379	0.8
408.41852	0.7
413.16193	2.1
423.20349	0.7
431.17108	14.1
432.17453	0.9
447.20026	1.4
449.18286	2.5
458.17941	0.7
465.21201	1.1
473.18219	4.3
491.19193	100.0
492.19547	10.8
494.20258	1.2
504.17783	0.7
509.20169	1.2
518.20190	8.9
519.20319	1.5
536.14227	5.4
536.21350	90.0
537.14209	1.1
537.21887	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	536.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	0.9
57.03338	0.8
58.00485	0.9
59.00969	2.6
59.01250	58.2
60.01629	1.4
61.98694	5.6
65.03862	1.0
67.01810	0.9
69.03355	1.4
69.75039	3.8
71.01247	13.8
72.99241	2.2
73.02812	6.6
75.18996	0.7
81.03379	0.9
83.01295	2.0
83.04951	1.2
85.02817	4.7
85.99986	1.6
87.00375	0.7
87.00825	3.0
89.02354	1.7
93.03377	2.0
95.01277	1.3
97.02856	1.4
99.00802	2.0
101.02328	6.8
103.03952	1.4
106.04204	2.4
107.04957	1.7
108.02042	4.9
109.02863	4.3
111.00851	0.7
113.02396	2.7
119.04993	1.0
121.02833	10.5
122.03610	7.9
123.04451	1.1
123.62460	0.7
124.01540	4.0
125.02434	2.5
130.04152	5.4
130.50127	0.7
133.02922	1.7
133.06485	1.0
135.00900	1.4
135.04494	1.0
136.01561	1.8
137.02383	1.0
143.03513	1.0
143.05022	5.1
144.05649	1.3
145.02867	0.9
145.06491	3.9
146.03746	1.0
147.04523	1.4
148.01675	1.4
149.02341	4.9
150.03136	3.6
152.01031	4.0
155.11673	0.8
155.77490	0.7
157.06514	4.0
158.07240	1.2
159.04503	2.3
159.08049	5.5
160.05220	1.1
161.02351	10.8
161.04507	0.7
161.06029	2.1
162.03151	1.4
163.03984	1.7
165.01857	5.1
166.02705	2.3
171.04620	1.0
171.08119	1.8
173.06050	1.9
173.09727	0.8
174.03191	1.3
175.03867	1.0
175.07655	3.1
176.01042	0.9
177.01843	3.8
187.04007	3.1
187.07645	0.9
188.04663	1.3
189.05583	1.4
189.09174	1.4
191.10774	4.5
194.02173	1.1
201.05583	3.4
202.06300	1.7
203.07095	11.2
204.07536	0.9
215.10739	1.0
217.08691	1.2
219.06610	1.6
227.14493	3.1
229.12407	2.1
243.13934	4.3
245.15477	3.8
261.14908	5.9
265.09387	1.8
266.94067	0.9
269.11755	3.5
271.13379	24.8
272.13791	2.2
273.14978	1.5
283.13736	0.8
285.15155	2.1
287.12958	11.0
287.16211	1.0
288.13406	1.2
289.14420	26.7
290.14981	2.3
297.15057	1.5
299.16669	3.1
300.13776	1.0
301.14627	1.1
305.14056	1.5
313.14453	3.0
315.16113	1.5
316.15640	2.5
326.15219	1.1
327.16064	2.9
329.14026	1.5
341.17499	1.2
347.15024	1.3
369.16916	4.5
387.18195	6.2
395.15176	0.9
405.19180	2.1
413.16217	3.0
423.20093	1.8
431.17105	16.2
432.17206	1.7
447.20160	2.8
449.18100	6.8
465.21265	1.0
473.18063	5.5
491.19214	100.0
492.19598	11.3
494.20493	2.4
518.20367	10.4
536.21344	99.1
537.21844	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	535.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	6.2
59.01247	43.3
61.98694	10.4
69.75063	6.3
71.01252	22.7
72.99179	49.7
73.02808	3.7
75.00774	2.1
77.43656	0.9
83.01263	2.4
83.04893	1.4
85.02823	20.6
86.77618	1.0
87.00775	1.2
89.02312	14.5
93.03333	4.4
95.01270	1.8
97.02845	1.0
101.02320	15.1
101.05965	7.3
103.03887	41.0
104.04214	1.2
106.04108	6.2
107.04900	10.0
108.02028	3.0
109.02850	1.5
109.06470	3.0
113.02328	8.5
119.03387	7.8
119.04916	5.1
121.02830	3.3
123.00762	1.1
123.08024	1.6
125.02361	1.3
135.04419	1.1
138.03091	3.1
143.04973	2.7
145.05003	1.2
145.06380	1.1
149.02361	1.5
152.01044	1.8
159.08072	5.1
161.04495	1.4
163.03906	2.1
173.09619	6.6
179.05533	1.3
188.04517	1.1
199.07526	1.1
211.11351	1.0
213.12723	1.1
215.07013	1.0
215.14330	1.6
217.08594	1.9
223.13246	1.2
225.12764	3.0
243.13818	4.2
265.09271	97.8
266.09552	4.9
269.92111	1.0
271.13199	1.7
287.12897	40.0
288.13156	4.1
301.14374	3.6
311.44156	1.0
315.16040	1.8
329.13925	23.7
330.14163	2.4
359.14917	2.0
377.23480	4.6
389.15979	11.4
431.16949	3.1
449.18057	3.5
451.23346	10.3
465.17679	2.8
490.17892	6.6
517.19354	3.1
535.21649	100.0
535.29144	62.8
536.22076	15.1
536.29486	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	536.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.6
57.97158	1.8
57.97431	25.5
58.02839	4.5
59.01249	27.2
60.01589	1.3
61.98693	3.7
61.99006	0.8
65.10970	0.8
66.03352	1.0
66.16084	0.8
66.65013	0.9
67.01753	0.8
69.03302	1.2
69.26129	0.8
70.02834	0.9
71.01255	9.7
71.52653	1.0
72.00765	1.1
72.04428	1.1
72.99176	0.9
73.02817	5.1
74.02339	12.8
79.66019	0.7
80.04915	2.6
81.03315	1.9
82.02852	3.4
83.01254	4.1
83.04900	1.0
84.00783	2.2
85.02811	3.6
86.02352	1.7
86.05966	0.8
86.98962	1.7
87.00726	1.1
87.05505	3.9
89.02312	4.2
93.03341	2.0
94.02895	0.9
95.01270	1.3
96.00775	1.4
96.04424	12.2
97.03953	6.5
98.02348	6.4
98.05978	1.0
99.00757	2.2
99.04459	1.1
99.05511	7.6
100.00276	6.0
101.02343	5.8
103.03876	2.6
108.02071	4.8
108.03250	0.8
108.04444	8.7
109.02802	2.2
109.03947	2.3
110.02357	3.5
111.00761	1.5
111.01888	2.4
111.62877	0.7
112.03924	6.4
112.07561	9.1
113.02354	4.0
113.03436	3.0
116.01643	1.3
119.03438	1.0
119.04913	1.8
120.04446	1.6
121.02840	8.8
122.03588	2.9
122.05994	5.2
124.03954	9.9
125.02444	1.2
125.03447	17.6
125.04743	1.3
126.04192	1.0
126.05479	2.1
127.05012	3.1
129.68048	0.9
131.04451	0.8
133.02805	1.5
135.04327	1.8
136.01581	0.9
137.06059	1.4
137.07098	9.8
138.05548	5.1
139.05045	8.4
140.03366	0.9
140.07056	3.6
143.04503	5.7
147.05511	5.5
149.02325	2.3
150.01901	1.4
150.03081	1.7
150.04210	0.8
151.05005	4.3
152.01085	6.7
152.03415	8.2
152.07056	2.0
153.01778	1.3
153.06584	1.1
155.08154	8.9
156.02910	1.2
157.06485	1.1
159.08070	0.9
160.00648	11.4
160.03857	0.8
161.01051	0.9
161.02328	1.7
162.01891	7.5
162.03090	1.3
163.03828	1.7
163.05038	3.2
165.01811	2.3
165.05321	1.6
165.06602	21.3
166.05016	1.3
167.04568	1.9
168.02882	1.0
169.06148	1.3
174.03140	1.3
175.07576	2.0
176.01006	0.8
178.01305	4.7
179.04552	3.6
181.06131	11.4
182.02193	1.1
183.07643	2.5
187.03879	1.8
187.83720	1.0
189.05421	1.1
191.04549	4.3
194.99881	16.2
196.00754	1.0
196.02356	4.0
196.06114	1.5
199.07132	4.6
201.05525	1.9
203.07036	1.4
203.10658	1.2
209.05608	13.4
219.06436	1.1
225.05125	43.6
226.05434	2.5
227.06721	5.6
231.13858	1.6
241.12154	1.0
243.13858	13.6
253.04630	100.0
254.04962	4.8
259.03796	1.8
261.14853	1.7
264.06961	23.7
265.09302	3.4
266.09509	1.2
269.11771	4.0
271.05707	60.7
271.13452	4.2
272.05981	3.0
275.12808	1.3
283.13309	1.1
287.03558	1.4
287.12891	18.5
288.13159	1.6
289.14566	4.2
290.14771	1.2
295.10742	0.9
301.14432	0.9
305.04572	8.5
305.13904	2.9
314.13953	7.2
315.12366	1.8
332.15024	8.2
333.13324	13.8
333.16989	0.8
378.77014	1.1
405.14685	1.0
460.18741	1.8
476.20624	1.0
492.28513	1.1
493.30237	1.2
504.16635	0.9
506.13214	1.1
509.19864	2.5
515.77936	1.0
518.20135	6.8
535.31305	7.4
536.14203	1.2
536.21680	12.8
536.31024	6.4
537.22040	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	535.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.7
57.03333	1.7
58.00473	1.4
59.01250	100.0
60.01587	1.3
61.98696	8.4
71.01248	21.4
71.52488	0.8
72.99184	2.0
73.02822	9.4
74.98957	1.3
75.00753	1.8
75.51535	0.7
81.03382	0.7
83.01262	2.9
85.02824	6.8
87.00766	2.6
87.04400	1.2
89.02318	10.1
93.03334	1.9
95.01259	1.6
99.00774	2.1
99.04404	0.9
101.02318	16.3
101.02929	1.3
103.03918	1.4
104.65761	0.8
104.92017	0.7
105.28652	0.7
107.04940	1.2
108.02090	1.0
109.02843	1.7
111.00756	4.7
113.02319	11.3
119.03393	3.2
119.04923	3.3
121.02855	3.1
122.03674	0.9
123.04417	4.0
125.02339	2.4
129.01865	0.9
131.03441	1.1
133.06506	0.8
135.00789	1.0
135.29198	0.6
137.02353	1.5
143.03430	2.3
149.02388	1.4
149.04457	1.2
150.03192	0.9
150.05499	0.9
151.03839	0.8
152.01068	1.4
152.07056	1.8
153.01846	1.0
154.99806	0.9
160.03978	2.7
161.04443	6.1
161.06000	1.8
163.00340	0.7
163.03941	1.4
167.03415	2.2
172.03983	1.5
179.05585	1.3
187.02399	1.0
190.02666	1.9
197.09711	2.6
198.09973	1.1
199.10277	1.4
205.05060	1.6
222.65947	0.9
227.14632	0.9
251.09258	0.7
253.07098	0.8
253.09578	1.0
257.11594	0.7
258.12152	1.1
265.09610	0.7
269.01163	1.2
269.04343	0.8
270.14944	0.8
271.19189	1.9
285.04053	1.4
289.14536	1.1
301.10767	3.3
302.11212	1.5
303.11475	4.0
311.99680	11.9
313.00040	22.0
313.99957	3.5
314.14206	1.7
327.01990	1.1
328.02530	3.2
329.03098	1.8
331.05054	0.8
331.15503	1.2
332.15070	1.9
339.17310	1.5
355.98898	1.7
356.98996	2.8
367.10507	1.2
371.00906	4.1
372.01224	8.5
373.01215	2.5
373.12689	1.4
373.26102	1.1
415.15250	1.7
415.23245	11.8
416.23740	1.3
433.24399	6.8
445.23602	0.8
460.19046	1.8
475.24579	4.1
491.25482	1.2
504.17725	1.5
518.20300	1.3
535.07263	21.3
535.22101	3.5
535.32117	7.5
536.07312	5.6
536.21356	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	535.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.3
57.03326	1.5
58.00458	1.8
59.01248	100.0
61.98426	1.3
61.98704	15.2
64.32487	0.9
67.25179	0.9
69.03316	1.1
69.46886	0.9
71.01256	30.3
71.53228	1.8
72.99173	3.5
73.02818	9.5
74.16061	0.9
78.15354	1.0
79.95620	0.9
83.01255	2.9
83.04890	1.1
83.44574	1.0
85.02828	12.5
87.00752	3.5
89.02313	21.5
91.01766	1.3
92.36176	1.2
93.03341	3.9
95.01242	2.9
95.04903	4.0
99.00761	2.5
101.02325	17.5
102.02663	1.0
107.04894	1.5
108.02025	2.1
109.02825	1.8
111.00723	1.2
113.02335	20.8
116.58768	0.9
119.01290	2.5
119.03374	6.9
119.04897	3.4
121.02842	85.3
122.03165	3.0
123.04404	39.5
124.04767	1.4
125.02341	1.7
131.03455	1.1
133.02831	1.0
134.03609	1.9
135.04378	4.9
137.02325	2.1
143.03412	2.8
147.00790	2.8
148.01512	2.7
149.02345	31.2
150.03090	4.3
151.00275	1.9
151.03915	1.3
152.01076	3.1
153.01840	8.2
160.01576	1.1
160.03932	2.7
161.04416	6.9
163.03938	4.9
164.04697	12.0
165.01825	1.6
165.05417	3.3
167.03401	4.7
175.00298	16.7
175.03862	1.1
176.01068	29.1
177.01646	3.4
177.05464	1.6
179.03438	1.9
179.05507	5.4
179.06976	2.2
179.83409	0.9
181.05002	2.0
190.02647	40.3
191.03418	40.0
191.89764	1.1
192.03877	2.9
193.01352	1.3
194.02165	1.3
205.05000	35.8
206.05704	6.9
207.02942	3.3
207.06401	1.1
208.03737	2.3
209.04520	6.3
221.08121	4.5
223.06058	15.5
225.14922	3.9
227.07048	3.7
237.07532	2.4
250.04834	1.0
251.05359	1.2
255.06654	12.1
265.07159	7.8
270.08878	6.3
271.19266	1.5
285.11282	9.3
295.64767	1.1
328.15454	1.0
353.08759	23.9
354.09045	2.9
367.10321	13.4
368.10559	1.7
415.23456	16.9
416.23428	2.0
429.21252	1.5
433.24240	2.6
475.13129	1.5
475.25787	1.8
491.15912	7.1
503.12054	1.7
535.14551	60.1
536.14722	9.1
536.21210	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13865	0.2
55.01769	0.3
57.03325	0.5
59.01247	100.0
60.01586	0.8
61.98689	1.4
71.01247	6.7
71.52531	0.4
72.86478	0.2
72.99173	0.4
73.02811	1.7
79.95611	0.3
83.01284	0.8
83.04931	0.3
85.02818	2.8
87.00752	0.7
87.04385	0.3
89.02319	2.6
95.01261	0.6
99.00762	0.6
101.02312	3.5
102.98492	0.7
108.02066	1.2
109.02867	0.7
113.02335	4.0
119.03389	1.1
119.04908	0.6
122.03622	0.5
123.04395	0.8
124.00649	0.8
125.02368	0.3
143.03439	0.6
149.02357	0.4
152.01056	0.9
153.01869	0.3
160.35971	0.3
161.04460	2.2
167.03436	0.4
179.05554	0.5
190.02583	1.3
205.05074	1.3
223.06023	0.4
227.07062	1.2
271.19159	1.8
315.07416	0.4
320.64871	0.3
332.15216	0.9
367.10422	1.8
415.23340	6.0
416.23715	0.6
433.24338	5.8
434.24841	0.5
475.24976	3.3
476.25668	0.5
491.16052	0.4
535.15021	0.8
535.23389	0.7
535.31421	1.6
536.12024	0.6
545.96692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.4
57.03321	2.6
58.00468	2.7
59.01247	100.0
61.98695	6.3
67.01741	0.7
68.99689	0.7
69.03339	0.9
69.49777	3.1
69.50183	1.4
70.68593	0.6
71.01249	52.0
72.99174	4.7
73.02814	14.0
73.10334	0.7
73.99494	0.6
75.00751	1.2
81.03343	0.7
83.01251	5.7
85.02821	19.1
87.00754	5.5
87.04370	0.8
89.02310	45.6
93.03345	1.7
95.01268	4.1
96.95960	1.0
97.02841	1.6
98.19807	1.4
99.00744	3.6
99.04401	1.1
101.02321	34.4
103.03915	1.0
108.02052	1.1
111.00761	2.5
113.02326	33.3
115.03907	0.8
116.92735	3.8
118.97993	2.3
119.03384	18.1
121.02852	1.8
123.04447	1.4
124.01492	0.8
125.02378	2.5
129.01851	1.0
131.03413	2.4
132.93143	0.7
134.03741	0.8
135.04401	0.7
136.01558	0.6
137.02382	1.2
139.00298	0.6
143.03387	4.3
144.81592	0.6
149.04475	2.1
153.01848	1.0
153.05487	0.8
160.04036	0.6
161.04440	10.0
161.05672	0.8
163.04008	0.7
167.03366	0.8
168.60422	0.6
173.00761	1.0
174.43951	0.7
179.03299	0.7
179.04010	0.7
179.05545	7.4
181.05029	1.2
185.06123	0.7
209.04575	0.9
211.06021	0.8
227.07092	4.6
265.09293	0.8
287.15152	0.7
306.07416	1.0
307.07907	0.8
313.16727	1.6
331.17728	2.3
373.12897	1.3
373.18924	0.7
415.10321	1.3
445.20972	0.7
475.21786	29.7
476.22357	3.8
493.22861	19.3
494.23358	1.6
535.14307	0.6
535.23743	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	535.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.6
57.03322	4.5
58.00456	0.9
59.01250	21.1
61.98430	0.5
61.98699	5.5
64.92021	0.5
69.18098	4.4
71.00905	0.7
71.01251	9.2
72.99161	1.2
73.02824	2.8
75.00745	1.1
80.18386	0.5
83.01238	1.5
83.04876	1.0
85.02823	20.1
87.00720	1.1
87.04339	0.5
89.02304	1.7
93.03337	6.4
95.01273	0.5
97.02802	0.7
99.00739	0.8
99.04379	0.5
101.02328	3.0
101.05956	6.4
103.03887	31.3
104.04204	0.5
106.04125	2.1
107.04908	4.0
108.02022	0.8
113.02292	2.3
117.05463	0.6
119.04884	1.8
119.08552	2.7
121.02797	1.8
123.04391	0.7
123.08034	0.7
125.02260	0.5
137.02293	0.5
137.09615	1.1
138.03123	1.1
143.04913	1.0
145.04869	1.0
147.07973	0.5
149.02304	1.8
152.00928	0.5
157.06458	1.9
159.08047	3.1
163.03841	0.8
167.03421	1.0
173.09578	1.1
177.01840	1.2
183.08040	0.9
197.09572	0.7
201.05420	0.7
211.11166	1.5
213.12749	1.9
215.06941	0.8
216.07930	0.6
217.08427	0.5
223.11203	0.9
224.11501	0.5
225.12804	5.6
243.13834	4.6
244.13959	0.4
247.08121	1.3
265.09308	2.6
273.15036	0.4
287.12875	43.4
288.13242	3.0
301.14426	22.3
302.14639	1.7
305.92963	0.4
329.10507	0.7
329.13956	8.6
330.14188	1.1
331.15378	0.9
373.12836	0.5
389.19611	1.0
422.33948	0.5
477.28503	1.3
491.26221	2.0
497.93323	0.5
535.21674	100.0
536.21960	12.9
536.28021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60508	0.6
57.03325	4.7
59.01249	16.0
61.98706	9.9
70.55086	1.5
70.55481	1.2
71.01250	8.1
71.04877	0.7
72.99177	0.7
73.02817	1.0
75.00733	2.6
78.91755	6.4
83.01151	0.7
85.02820	24.1
86.03159	0.7
87.00762	1.1
89.02285	3.6
93.03342	1.6
101.02311	3.6
103.03886	34.1
106.04097	1.0
107.04898	11.3
113.02309	2.1
119.03367	1.7
119.04900	1.5
121.02849	23.9
122.03201	0.7
123.04417	1.1
133.02832	2.7
135.04407	2.6
137.09613	2.4
145.04913	0.9
149.02344	32.6
151.03893	3.9
161.02328	0.8
163.03923	8.2
173.09621	3.0
193.05042	0.7
205.04993	3.0
209.04434	0.9
217.08675	2.0
225.12680	0.8
228.11552	1.9
243.13860	3.4
247.08182	0.8
251.05545	1.2
265.09280	15.4
287.12872	28.6
288.13144	1.9
301.14520	4.1
329.13965	20.6
330.14215	2.1
389.15994	2.9
397.06198	1.2
397.11349	25.5
398.11719	1.4
449.18661	1.1
465.17722	2.3
517.27850	0.8
535.21808	100.0
536.22034	14.0
536.29321	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	Unknow
Peak:m/z	Relative Intensity
55.01759	2.8
57.03314	5.3
57.97438	7.0
58.00459	1.2
58.02850	1.9
59.01251	100.0
60.01591	1.3
61.98694	4.0
63.22414	1.3
68.99692	1.8
69.03332	3.1
69.48776	9.8
71.01256	34.2
71.04886	1.4
71.48566	1.6
72.99184	4.3
73.02818	23.6
74.02342	6.0
75.00755	1.7
78.95756	1.3
82.02849	1.7
82.25093	1.3
83.01263	10.5
83.04916	2.3
85.02827	17.2
85.06474	1.6
87.00758	4.0
89.02317	15.0
93.03337	4.6
95.01270	2.6
96.04425	4.4
97.02843	2.3
97.03947	2.3
98.02355	1.6
98.19700	1.5
99.00747	2.8
99.04395	2.1
101.02317	20.2
103.03891	14.0
106.04102	4.3
107.04901	5.4
108.02064	5.3
108.04439	2.6
109.02846	3.0
111.00775	1.8
112.07546	2.3
113.02328	14.1
119.03395	4.0
119.04869	4.7
119.58493	1.5
121.02837	5.6
121.46245	1.4
122.03606	1.6
122.06033	3.2
123.08088	2.9
124.01491	1.7
124.03923	3.3
125.02329	4.8
125.03405	4.5
131.03459	2.3
133.57906	1.5
134.03575	2.4
135.04373	1.9
137.02316	4.0
137.07077	2.9
137.09599	1.7
138.03156	1.7
138.05530	1.4
139.05031	3.5
143.03395	2.5
143.04578	2.5
145.02904	1.9
147.04449	1.5
147.05508	2.3
149.02316	2.4
149.06021	1.4
149.24011	1.4
150.03139	2.4
152.01048	1.8
152.03484	3.3
153.01804	1.9
154.71651	1.3
155.03371	1.5
155.08173	3.8
157.06355	1.7
160.00587	3.8
161.02328	2.7
161.04393	2.6
162.01883	3.8
163.03905	1.9
163.07426	1.6
165.06564	6.5
167.03363	1.7
169.01326	1.5
173.09596	1.5
174.03172	4.9
175.03886	2.0
177.01883	2.0
178.01338	2.3
181.06119	3.0
182.02113	4.1
185.09547	1.6
187.11215	1.4
194.99883	6.4
196.02435	1.9
206.02148	5.3
209.05592	5.0
225.05080	13.9
225.12791	4.0
227.14340	2.2
229.08672	30.2
230.08875	1.7
243.13911	4.1
247.08200	2.3
253.04637	37.3
255.03218	1.6
261.14801	1.6
264.07056	8.7
265.09293	31.5
269.11798	3.3
271.05719	21.4
271.13403	3.0
287.12958	15.7
287.18756	1.6
287.22067	1.7
289.14493	28.0
298.04892	5.2
305.04721	3.1
305.13889	2.5
308.19434	1.4
312.12381	4.5
313.07275	7.6
313.12857	5.8
314.13931	5.4
315.14316	1.7
329.13922	6.2
331.11908	13.2
332.14960	3.9
335.11337	4.2
389.15717	1.7
415.25632	1.8
431.17096	6.8
449.18073	7.9
475.19614	12.5
475.28784	2.3
491.19162	31.9
493.29752	5.4
518.19781	4.0
534.29663	2.2
535.21552	60.4
535.30701	27.1
536.21515	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.8
57.03314	5.3
57.97438	7.0
58.00459	1.2
58.02850	1.9
59.01251	100.0
60.01591	1.3
61.98694	4.0
63.22414	1.3
68.99692	1.8
69.03332	3.1
69.48776	9.8
71.01256	34.2
71.04886	1.4
71.48566	1.6
72.99184	4.3
73.02818	23.6
74.02342	6.0
75.00755	1.7
78.95756	1.3
82.02849	1.7
82.25093	1.3
83.01263	10.5
83.04916	2.3
85.02827	17.2
85.06474	1.6
87.00758	4.0
89.02317	15.0
93.03337	4.6
95.01270	2.6
96.04425	4.4
97.02843	2.3
97.03947	2.3
98.02355	1.6
98.19700	1.5
99.00747	2.8
99.04395	2.1
101.02317	20.2
103.03891	14.0
106.04102	4.3
107.04901	5.4
108.02064	5.3
108.04439	2.6
109.02846	3.0
111.00775	1.8
112.07546	2.3
113.02328	14.1
119.03395	4.0
119.04869	4.7
119.58493	1.5
121.02837	5.6
121.46245	1.4
122.03606	1.6
122.06033	3.2
123.08088	2.9
124.01491	1.7
124.03923	3.3
125.02329	4.8
125.03405	4.5
131.03459	2.3
133.57906	1.5
134.03575	2.4
135.04373	1.9
137.02316	4.0
137.07077	2.9
137.09599	1.7
138.03156	1.7
138.05530	1.4
139.05031	3.5
143.03395	2.5
143.04578	2.5
145.02904	1.9
147.04449	1.5
147.05508	2.3
149.02316	2.4
149.06021	1.4
149.24011	1.4
150.03139	2.4
152.01048	1.8
152.03484	3.3
153.01804	1.9
154.71651	1.3
155.03371	1.5
155.08173	3.8
157.06355	1.7
160.00587	3.8
161.02328	2.7
161.04393	2.6
162.01883	3.8
163.03905	1.9
163.07426	1.6
165.06564	6.5
167.03363	1.7
169.01326	1.5
173.09596	1.5
174.03172	4.9
175.03886	2.0
177.01883	2.0
178.01338	2.3
181.06119	3.0
182.02113	4.1
185.09547	1.6
187.11215	1.4
194.99883	6.4
196.02435	1.9
206.02148	5.3
209.05592	5.0
225.05080	13.9
225.12791	4.0
227.14340	2.2
229.08672	30.2
230.08875	1.7
243.13911	4.1
247.08200	2.3
253.04637	37.3
255.03218	1.6
261.14801	1.6
264.07056	8.7
265.09293	31.5
269.11798	3.3
271.05719	21.4
271.13403	3.0
287.12958	15.7
287.18756	1.6
287.22067	1.7
289.14493	28.0
298.04892	5.2
305.04721	3.1
305.13889	2.5
308.19434	1.4
312.12381	4.5
313.07275	7.6
313.12857	5.8
314.13931	5.4
315.14316	1.7
329.13922	6.2
331.11908	13.2
332.14960	3.9
335.11337	4.2
389.15717	1.7
415.25632	1.8
431.17096	6.8
449.18073	7.9
475.19614	12.5
475.28784	2.3
491.19162	31.9
493.29752	5.4
518.19781	4.0
534.29663	2.2
535.21552	60.4
535.30701	27.1
536.21515	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.3
59.01248	14.6
61.98696	1.3
69.03338	0.7
69.25031	5.6
71.01247	5.5
72.27441	0.6
73.02810	2.4
79.01788	0.7
81.03331	6.7
83.01257	4.4
85.02817	2.9
87.67392	0.5
89.02318	2.0
93.03326	1.4
95.01274	1.3
95.04916	0.9
97.02837	0.8
101.02322	3.5
103.03909	0.6
107.01281	0.9
108.02048	92.0
109.02862	20.3
113.02302	1.9
115.72780	0.6
119.04871	0.6
121.02840	3.3
123.00797	1.0
123.04401	39.9
124.04755	0.8
124.07539	1.8
125.02329	6.6
134.03621	5.4
135.00735	1.8
135.04427	1.2
137.02348	1.7
139.03951	0.8
149.02339	5.6
151.00278	1.3
151.03899	1.7
152.01053	58.4
153.01852	14.8
160.03860	0.6
161.04501	0.6
163.03903	3.4
164.04729	3.9
165.01837	2.3
166.02574	2.3
167.03406	100.0
168.03720	3.3
175.00255	1.7
175.03880	1.2
176.01091	1.2
179.03418	1.9
179.07021	0.9
181.05019	4.3
190.02663	2.0
191.03419	18.3
192.03801	1.0
195.02890	0.9
204.01138	0.9
205.04918	1.5
208.03722	1.1
209.04515	6.9
221.04465	1.4
223.06059	16.2
233.04509	1.0
237.07721	1.0
243.13786	1.1
255.02994	1.5
265.09399	1.1
268.03360	0.7
271.06107	1.2
272.06915	1.9
283.02487	2.7
284.00125	1.2
284.02982	0.7
284.36182	0.6
285.00455	2.9
286.08295	0.8
287.13409	1.5
295.08392	0.7
298.04700	2.5
299.05557	0.7
303.08755	1.1
311.99805	5.3
313.00037	10.6
313.07098	3.8
314.00293	2.1
314.07544	0.6
314.13962	1.1
325.09283	0.9
327.01926	4.2
328.02374	8.9
329.02954	2.4
329.10242	2.9
353.08801	2.6
367.10254	2.5
371.01077	2.2
372.01166	5.3
373.01129	1.7
474.30722	1.0
475.31400	1.2
535.07208	16.6
535.14624	81.9
535.22675	5.2
535.31665	2.2
536.06958	3.1
536.14990	10.9
536.21930	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85762	0.8
57.03338	1.4
59.01250	67.9
61.98697	7.4
70.52330	1.1
70.52671	2.2
71.01252	19.5
72.99181	3.2
73.02816	5.6
75.00718	1.0
82.95307	1.3
83.01255	2.1
83.02386	6.7
85.02835	7.7
87.00744	3.1
89.02312	13.4
91.01742	1.0
93.03351	3.4
95.01253	1.7
95.04888	3.5
99.00758	1.8
101.02317	10.2
108.02039	1.7
109.02876	1.0
113.02327	14.9
119.01307	2.5
119.03372	6.5
119.04885	1.8
121.02843	100.0
122.03182	2.4
123.04404	46.9
124.04763	1.7
131.03380	1.3
134.03622	1.9
135.04381	2.9
137.02341	1.3
143.03380	1.7
147.00810	2.1
147.04405	1.5
148.01515	3.5
149.02345	35.2
150.03134	7.6
151.00270	1.5
151.03833	1.4
152.01131	2.4
153.01852	7.9
159.02901	1.0
160.73380	0.8
161.02304	1.7
161.04480	6.2
162.03165	1.2
163.03929	5.5
164.04689	16.3
165.01851	1.2
165.05447	3.4
167.03374	5.5
175.00285	14.7
176.01071	30.1
177.01706	3.0
177.05540	1.5
179.03448	1.4
179.05495	3.5
179.07047	2.8
181.04985	2.2
189.01903	1.1
190.02631	40.6
191.03421	48.2
192.03841	3.1
194.02126	2.5
199.07605	1.0
203.06996	1.0
205.04994	45.4
206.05751	8.8
207.02893	3.3
207.06451	1.6
208.03668	2.5
209.04507	6.2
221.08089	5.9
222.05432	0.9
223.06090	16.7
224.06360	1.0
227.07121	4.0
235.02406	1.4
237.07683	2.5
250.04761	1.8
251.05516	2.8
254.05870	0.9
255.06621	15.0
265.07074	10.6
269.08008	1.2
270.08972	6.1
285.11295	10.2
295.08224	1.0
297.95987	0.9
325.09195	1.2
353.08759	41.6
354.09210	2.7
357.09686	1.5
367.10345	20.7
415.23364	17.2
416.23978	1.1
433.24460	1.4
475.12180	2.0
475.25232	1.5
476.13199	1.1
491.15665	11.0
503.11520	1.2
535.14532	89.8
536.14703	9.7
536.21619	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.7
58.00463	1.3
59.01250	100.0
60.01587	2.4
61.98709	12.1
69.03307	3.0
69.35706	11.5
71.01251	38.2
72.99196	4.3
73.02817	25.0
75.00731	4.0
76.01076	1.1
81.03337	1.7
83.01243	9.2
85.02830	13.4
87.00732	1.5
89.02309	12.3
93.03349	5.3
95.01264	2.8
97.02820	2.6
99.00757	3.7
99.04400	2.4
101.02325	25.4
103.03848	1.9
108.02036	4.6
111.00772	3.7
113.02335	14.0
119.03413	4.6
119.04890	4.9
120.04427	2.7
121.02840	4.0
125.02361	2.7
130.04120	2.7
131.68266	1.0
134.06035	2.6
135.00865	1.2
135.04465	1.3
137.02321	7.3
138.02693	1.7
143.03439	1.7
143.04845	2.0
145.06468	3.6
146.02408	3.3
147.02719	1.8
147.73924	1.5
149.02269	2.8
149.04305	1.0
151.00278	2.0
152.01067	3.4
153.01672	1.6
156.75064	1.2
157.06459	1.4
158.03725	1.8
159.03134	2.3
159.08035	3.9
160.03972	2.5
161.04419	4.2
162.05498	5.0
163.03925	2.6
164.04637	1.7
165.05524	1.2
166.99854	1.3
167.03339	1.3
171.04362	2.2
173.05894	2.9
175.03932	2.8
176.04211	1.3
187.04027	1.5
189.05510	2.6
190.02637	1.8
191.02097	2.4
198.05504	4.2
199.03908	1.4
203.07033	3.0
205.05017	1.8
205.12318	1.5
210.84431	1.1
211.13344	1.4
212.07117	10.8
214.49046	1.1
217.05025	5.4
223.05923	1.7
226.05038	1.9
229.14400	1.9
259.06287	1.4
265.09610	1.3
269.04483	1.9
270.11310	15.0
271.06421	1.1
285.11697	1.4
296.12897	4.2
312.12946	2.6
414.15671	6.4
432.16855	6.9
447.16354	2.8
473.26590	1.4
474.17590	6.2
475.29388	2.7
489.17618	8.5
490.18326	1.5
516.18787	33.4
517.19019	4.1
534.19128	5.8
534.28613	2.0
535.28241	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	534.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.4
61.98699	100.0
69.41639	1.2
78.95784	0.4
83.45468	0.2
134.17230	0.2
138.61037	0.1
152.99529	0.5
193.31781	0.1
226.31979	0.1
258.58377	0.1
260.98669	0.1
304.19189	0.1
395.86398	0.2
474.21545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.6
56.72212	0.6
57.03327	1.7
59.01248	42.7
60.01590	0.7
61.98698	20.3
69.03312	0.8
71.01251	16.5
71.52793	1.4
72.99178	7.1
73.02822	5.3
77.23972	0.5
83.01252	2.7
83.04913	0.8
85.02821	6.5
87.00771	0.8
89.02310	2.6
91.89368	0.6
93.03342	1.4
95.01266	1.7
95.04926	0.6
99.00786	1.3
99.04404	0.7
101.02310	5.2
101.05984	0.9
103.03876	2.6
108.02044	1.1
109.02837	1.1
109.06497	0.8
111.00784	0.8
113.02319	2.8
114.72418	0.8
119.03380	1.3
119.04868	1.5
121.02832	5.8
121.06435	0.7
122.03596	1.4
123.04395	2.0
124.01582	1.6
125.02344	1.5
133.02827	2.4
135.04422	1.3
137.09534	0.6
139.07608	0.6
149.02339	1.1
152.01074	1.1
157.06523	1.7
159.04428	3.7
160.03944	0.9
161.02333	1.3
161.04298	0.8
171.10135	1.2
173.05959	1.7
173.09610	1.9
175.07533	1.0
177.01804	1.8
183.08156	0.6
189.09125	1.7
196.68549	0.6
201.05556	1.5
203.03407	3.2
204.04181	1.8
207.08014	0.9
217.05061	1.1
217.08391	0.7
218.05754	1.2
224.56819	0.6
241.12296	2.4
243.13875	2.5
257.15356	1.4
259.13440	2.1
265.09357	3.7
267.10284	2.3
269.04520	1.0
269.11816	3.1
285.11267	2.1
285.14795	1.1
286.11710	1.2
287.12878	13.1
296.12906	1.0
301.14648	0.7
303.12451	5.1
303.75760	0.8
304.12589	0.7
311.12872	0.8
313.14447	9.1
320.57513	0.7
327.25354	1.6
329.13916	2.2
330.13623	1.2
357.13409	9.7
358.13721	0.7
387.14517	0.7
403.17401	0.8
411.14572	1.2
429.15381	7.0
447.16464	6.7
448.16995	0.8
448.26218	1.6
449.18228	0.7
451.23297	1.6
471.16177	0.6
474.17004	0.8
489.17624	100.0
490.17947	11.6
490.27145	3.2
507.18851	4.7
516.18512	9.2
517.19135	2.0
533.33234	3.2
534.20264	1.5
534.34021	4.1
535.21765	9.8
535.29138	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	534.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.9
58.02835	7.4
59.01248	100.0
61.98699	47.8
69.72704	11.8
71.01245	51.3
72.99168	2.7
73.02808	21.6
74.02344	12.5
83.01248	10.6
85.02814	15.5
86.02357	4.7
86.05979	2.2
87.00769	5.0
87.05519	2.6
89.02310	21.5
90.00068	2.8
93.03311	12.3
95.01256	3.3
95.04917	2.0
97.02839	2.5
99.00730	2.7
99.05507	12.3
101.02321	34.2
101.02952	1.4
101.07084	2.6
106.72673	1.9
109.03973	1.8
111.00809	2.5
113.02325	20.3
117.95532	1.7
118.97978	4.2
119.03380	10.8
119.04899	3.1
120.48235	2.0
121.02864	3.2
121.29356	2.0
122.11114	1.7
125.02383	2.5
128.03439	29.8
131.03374	3.2
132.04433	3.2
135.05504	2.4
137.02361	4.2
137.06999	2.0
143.03474	3.7
143.04504	32.3
146.04460	5.2
149.02327	4.7
149.04463	5.7
150.02821	1.9
152.00992	2.2
153.06596	2.0
160.00652	10.0
160.03947	2.9
161.04436	13.6
164.04631	2.5
165.05002	2.1
167.04555	3.6
175.00279	2.0
177.03275	4.1
179.04480	6.2
179.05774	3.1
188.70065	1.9
190.02655	8.5
191.03043	7.1
199.53615	1.8
205.05040	6.1
205.08849	1.9
206.05362	5.3
210.08791	5.8
223.05927	4.7
224.06339	4.1
254.07846	11.3
272.08856	16.2
288.06638	7.2
300.16077	2.2
306.07645	97.5
307.07800	3.5
419.09467	2.8
468.81296	2.2
468.92987	2.3
475.21796	9.7
493.22937	8.6
503.16702	6.0
534.18573	9.6
534.26886	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	534.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	0.4
58.57939	0.4
59.01252	20.9
60.01590	0.4
61.98690	1.1
69.03341	0.4
69.17500	3.9
71.01255	4.9
71.28715	0.4
72.99172	0.5
73.02823	2.5
75.00728	0.5
83.01267	1.1
83.61146	0.4
85.02795	2.7
89.02328	1.6
93.03300	0.6
95.01252	0.5
99.00771	0.5
101.02326	4.5
104.21604	0.4
108.02057	0.7
109.02835	1.9
109.06468	0.4
111.00748	0.4
113.02339	2.0
119.03346	0.5
119.04925	0.7
120.29785	0.4
123.00841	0.5
125.02349	0.5
127.62571	0.4
143.03397	0.7
143.04808	0.4
152.01039	0.8
153.01912	1.9
153.41379	0.4
153.79137	0.4
159.02902	0.5
159.08124	0.5
161.04457	1.0
240.00995	0.5
265.09320	0.5
268.00833	1.9
281.11203	0.4
284.00214	19.9
284.03415	0.9
285.00647	1.5
286.03665	0.7
311.99716	86.6
313.00360	18.1
313.06577	0.7
314.00873	1.2
326.01361	1.1
327.02054	66.4
328.02737	21.0
328.06851	0.6
329.03165	1.0
331.11859	1.3
354.09833	0.4
371.01047	45.7
372.01501	6.2
372.10910	0.5
401.25677	0.7
474.30817	5.2
490.08255	2.0
492.31631	1.2
502.15945	0.6
534.07098	100.0
535.07495	11.7
535.14551	1.2
535.21021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.7
59.01245	17.3
60.01588	0.9
60.05605	0.7
61.98700	100.0
71.01260	4.0
71.52599	0.9
73.02809	1.4
78.16641	0.8
83.01257	0.9
85.02818	3.3
89.02329	3.3
93.03362	1.1
101.02324	3.0
103.03898	4.9
111.00788	1.6
113.02351	1.8
118.95042	0.8
119.03406	1.4
119.04884	4.0
121.02838	1.8
137.02373	0.9
149.02388	2.0
152.01083	0.8
160.03960	0.9
163.03931	0.9
164.04660	2.9
176.00984	0.9
190.02693	2.6
191.03380	1.5
205.05083	2.0
206.05797	1.6
220.33627	0.7
223.06026	3.6
239.05200	0.8
265.07028	1.6
265.09341	13.1
294.10532	1.1
324.11642	1.2
339.89487	0.8
345.27570	0.7
346.10135	1.1
471.14999	21.9
472.15518	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	534.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02261	0.4
59.01250	9.2
61.98701	100.0
67.12497	0.4
71.01510	0.6
73.94644	0.5
87.04399	0.7
146.08128	2.2
147.08470	0.6
147.48457	0.5
148.84024	0.5
167.06067	0.5
171.10207	1.1
224.01628	0.4
277.12363	1.4
287.08264	1.7
288.08682	1.1
297.24146	0.6
301.10486	0.5
343.36084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49948	0.7
59.01251	100.0
60.01582	1.6
61.98694	1.2
73.02865	0.7
74.41752	0.6
76.98211	0.6
87.04398	1.5
90.25203	0.6
107.28796	0.6
109.60345	0.6
121.02814	0.9
136.03902	0.8
168.14879	0.7
170.42528	0.7
171.10170	1.1
191.08984	0.7
225.82228	0.8
404.46790	0.8
406.87195	0.7
497.24496	1.2
533.23969	1.1
533.31549	1.0
533.39362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11665	0.4
59.01249	100.0
60.01591	0.9
61.98702	0.4
71.44399	0.9
83.76186	0.4
84.27887	0.4
85.98679	0.4
90.33165	0.4
90.55663	0.5
92.83835	0.4
105.26710	0.4
134.79889	0.4
152.99536	0.5
182.00981	0.4
191.05476	0.5
397.31342	0.8
413.30896	0.9
419.33075	0.5
437.13110	0.5
473.36615	1.2
533.38135	0.6
554.94019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3844
Annotation	3-Acetyl-24-epi-polacandrin
Peak:m/z	Relative Intensity
52.96306	1.6
59.01250	100.0
61.98691	4.0
78.95807	1.6
83.04884	1.3
85.06467	12.6
97.06444	2.0
101.05984	2.0
120.40727	1.5
121.02859	1.7
148.08699	1.4
151.31879	1.2
175.24644	1.3
181.25691	1.6
357.27844	4.4
365.26953	1.8
375.29126	3.6
387.28909	3.0
473.36426	27.9
474.36896	3.3
533.37555	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	533.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.9
57.03321	5.5
58.00451	2.0
59.01249	41.3
61.98685	2.1
69.03301	1.2
69.37312	5.5
69.81826	0.7
71.01251	17.6
71.04885	0.9
72.99160	1.9
73.02821	11.3
75.00743	1.6
81.03323	0.9
83.01252	2.5
83.04865	1.0
85.02351	1.2
85.02824	15.9
87.00734	2.3
87.04373	1.7
89.02332	3.4
93.03313	1.4
93.42970	0.7
95.01225	0.7
97.02830	0.8
99.00728	0.7
99.04424	3.7
101.02330	7.4
103.03887	24.8
108.02031	2.4
109.02835	1.3
113.02313	4.7
119.03372	2.0
119.04859	2.6
121.02798	1.4
123.04440	4.0
125.05914	0.8
127.07464	0.9
129.01799	0.8
135.04387	1.5
137.02316	1.3
137.05890	0.9
145.02805	1.2
147.04381	0.9
149.02304	0.8
151.00256	1.5
152.01012	1.6
161.04384	2.1
162.69585	0.7
173.04443	1.4
175.02538	0.9
175.03931	8.8
190.02586	0.9
193.15804	1.0
195.13869	3.9
205.05011	0.9
209.15196	0.9
223.06058	1.4
223.13187	1.0
241.14603	0.8
247.08258	1.4
265.09253	2.9
267.16034	7.4
270.01508	0.8
271.06000	1.4
285.03937	2.0
285.17072	16.3
286.17270	1.2
295.12161	0.7
299.18442	1.9
301.20038	0.7
309.16910	1.0
313.03448	1.1
327.18079	7.3
329.23395	0.9
371.24512	0.8
413.21799	1.5
431.22708	2.2
437.14993	0.8
473.27335	2.3
491.28421	1.1
533.25946	100.0
533.66449	0.8
534.19867	0.5
534.26422	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	533.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.1
56.55971	0.8
57.03303	1.1
58.00446	1.1
59.01245	25.6
64.24374	0.7
65.00181	0.9
69.35236	2.3
69.35660	4.2
71.01247	17.4
72.99159	1.9
73.02814	4.1
75.00741	3.8
83.01235	2.4
85.02818	8.4
87.00735	3.0
89.02322	12.2
90.83771	0.7
91.01772	1.1
93.03316	2.4
95.01235	1.6
99.00696	1.2
101.02316	11.9
103.03854	0.9
111.00742	1.9
113.02346	5.4
119.01277	6.0
119.03391	3.4
119.04908	1.7
119.79302	0.7
121.02825	6.4
125.02323	0.9
129.01778	1.4
132.02037	1.3
134.03564	1.8
135.04391	2.1
137.02353	1.4
143.03362	1.3
147.00725	2.9
147.04422	2.2
147.06500	1.7
149.02342	35.2
150.03008	1.6
152.01030	1.2
161.02255	0.7
161.04393	2.5
161.94241	0.6
162.03018	1.1
163.03864	4.5
164.04692	37.7
165.01830	1.6
165.05264	1.6
165.07608	8.2
166.02626	0.9
173.02536	0.7
175.00272	39.0
176.00729	2.4
177.01877	1.0
177.05411	0.8
179.03375	0.9
179.06985	4.7
181.04814	0.8
189.01833	1.1
190.02631	99.6
191.03218	8.0
191.05353	1.2
193.01398	0.9
205.04988	100.0
206.05580	7.7
207.02902	2.7
208.03603	3.4
209.04524	2.0
221.08043	7.5
223.06059	58.1
224.06471	3.2
235.45296	0.7
237.07678	2.0
247.06226	0.7
250.04843	1.4
251.05449	1.1
261.98868	0.7
265.07120	19.2
279.79507	0.7
295.08228	3.2
309.11945	1.1
312.63834	0.7
325.09216	3.8
327.09201	1.9
327.12979	2.5
367.10294	3.2
385.11267	1.1
498.23386	1.0
533.18860	86.5
533.25305	3.0
534.19318	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	533.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.8
61.37593	0.2
64.85014	0.2
65.41232	0.2
69.71418	1.6
71.01243	0.9
73.02818	0.3
73.50620	0.2
75.00745	0.2
83.01271	0.3
85.02818	7.3
87.00747	1.8
91.76659	0.3
93.03329	2.4
96.95867	0.4
109.02847	0.9
111.04386	0.7
125.02293	0.3
127.03880	2.1
127.30236	0.3
148.94839	0.4
173.04465	0.9
191.05533	100.0
192.05888	3.1
258.09372	0.3
347.43338	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.4
64.67009	0.5
67.01743	0.7
71.01245	1.3
72.53284	0.6
78.57764	0.5
85.02821	9.5
87.00753	3.2
93.03314	4.6
99.04375	0.7
109.02846	0.8
111.04366	0.7
121.17909	0.5
127.03890	1.9
171.02882	0.6
173.04468	1.1
189.08798	0.6
191.05521	100.0
192.05901	2.6
335.40454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	1.0
58.00470	1.2
59.01247	32.0
59.02415	0.8
61.98693	6.7
62.70599	0.9
68.22034	0.7
69.03322	1.3
71.01252	15.4
72.99183	1.6
73.02816	4.4
75.00751	1.1
82.89413	0.7
82.99779	0.8
83.01241	2.3
83.04906	0.9
85.02827	5.6
87.00737	3.7
87.04394	1.4
89.02312	8.1
93.03318	4.2
96.95889	1.3
98.19804	2.3
101.02333	9.7
108.51657	0.8
109.02808	0.9
111.04407	1.2
113.02326	5.4
119.01249	2.7
119.03381	2.9
119.04888	1.9
121.02835	5.0
125.02352	1.5
128.03439	0.8
133.06392	0.9
134.03621	1.3
135.04399	1.9
137.02248	1.1
143.03384	1.0
143.04439	1.0
145.01254	1.4
147.00763	2.4
147.04396	2.0
147.06548	1.3
149.01237	1.6
149.02357	24.0
149.04279	0.9
150.03004	1.4
151.03911	0.8
152.01093	1.0
161.04471	3.3
163.03902	2.4
164.04694	20.4
165.01817	1.9
165.05333	1.7
165.07578	5.5
174.98798	1.3
175.00285	21.2
179.03368	1.0
179.05681	1.0
179.07054	3.6
190.02632	65.4
191.03285	4.8
191.05373	0.9
203.07146	1.0
205.04999	64.0
206.05515	5.5
207.02931	2.0
208.03725	3.3
209.04463	1.5
221.08165	4.5
223.06061	40.4
224.06410	1.6
237.07536	2.2
250.04892	1.7
264.98682	0.9
265.07129	15.1
265.09595	1.5
266.07446	1.0
295.08292	2.6
306.07849	4.1
325.09308	3.5
327.12961	2.3
345.09576	1.2
367.10104	1.3
533.18726	100.0
534.19055	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	533.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77644	0.9
57.03296	1.7
59.01249	93.2
61.98692	1.1
66.40311	0.9
67.01752	5.3
69.43421	6.8
69.43851	1.9
71.00918	1.1
71.01250	7.9
72.99174	11.3
73.02814	6.4
83.01257	4.1
85.02815	7.1
89.02309	3.8
93.03329	8.3
99.00756	2.0
101.02345	5.3
103.03889	1.1
108.02000	1.1
111.00765	63.2
113.02342	2.1
119.03391	1.3
119.04910	8.7
120.99536	1.0
121.02869	1.1
125.02351	1.3
129.01749	1.7
133.02808	1.2
136.01537	1.8
143.03413	9.3
149.02376	1.6
149.05966	5.4
154.99762	8.8
156.05699	1.6
160.04012	2.5
161.04420	1.5
165.59531	1.1
167.03374	2.2
169.06474	3.1
173.00836	13.8
179.10484	1.1
182.07266	12.3
183.08002	2.1
185.06029	1.2
187.02411	5.6
195.08057	1.9
197.09648	71.0
198.10036	4.7
205.03465	24.8
211.11252	7.4
213.12766	10.8
227.03392	5.8
227.10732	3.3
229.04994	2.0
239.10686	1.3
241.08578	2.2
245.11752	5.2
251.09218	4.1
255.02966	14.9
256.03458	1.4
257.04553	2.0
257.11768	19.2
258.12268	1.6
258.84491	1.1
284.03259	16.0
285.03983	22.7
286.04254	2.3
301.10794	100.0
302.11050	8.2
311.99753	2.3
345.09769	16.0
346.09485	1.4
354.71799	1.1
383.20810	2.4
401.21649	3.0
413.14462	4.0
425.22162	1.4
443.22873	4.7
489.10291	7.5
497.14502	1.0
533.16583	3.8
534.07404	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	533.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02858	1.1
51.27498	1.1
54.50554	1.1
54.60991	1.1
55.01743	1.1
59.01247	100.0
61.98700	5.5
67.01750	2.2
69.22946	11.0
71.01255	13.1
72.99175	11.1
73.02811	5.7
83.01247	3.8
85.02818	10.1
89.02320	5.1
93.03323	8.0
99.00777	4.0
99.04396	1.8
101.02322	9.2
103.03913	1.8
108.02067	2.4
111.00764	58.7
113.02317	4.8
119.03415	2.9
119.04918	6.2
121.02814	4.0
129.01782	1.4
136.08958	1.1
143.03395	12.5
149.02357	2.0
149.05959	5.4
152.01093	1.4
154.99754	6.8
160.03931	15.2
161.04372	7.8
169.06531	4.9
173.00826	18.6
179.05508	1.4
182.07260	8.8
183.08041	2.6
185.09558	1.7
187.02396	9.9
190.02623	2.5
195.08089	4.7
197.09637	59.8
198.10057	3.4
205.03445	28.4
211.11209	7.5
212.11896	1.2
213.12819	13.0
227.10744	5.3
241.08698	16.1
245.11766	3.2
255.02995	2.5
257.11792	41.9
258.12183	2.0
261.36691	1.3
265.09290	2.7
284.03250	3.6
285.04065	5.1
301.10785	91.1
302.11099	5.2
311.99707	4.9
329.03067	1.6
345.09760	30.0
346.10089	1.7
371.11725	1.6
383.20767	2.9
401.21835	4.9
413.21317	1.4
443.22867	6.7
471.15057	3.2
489.10532	2.6
533.23041	5.9
533.29926	2.2
534.06763	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	533.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76130	1.7
57.03324	1.6
59.01249	21.3
62.92410	1.5
72.99166	3.4
83.01265	2.1
90.88200	1.4
92.49146	1.7
93.03333	3.3
98.19764	3.9
100.69107	1.8
105.22782	1.9
111.00774	18.0
114.14888	1.6
119.04867	2.0
143.03381	3.7
151.00264	2.0
154.99715	2.2
163.00200	2.3
169.06552	2.2
173.00816	4.4
182.07283	3.6
187.02386	3.2
187.03909	3.6
190.44160	1.8
197.06000	1.5
197.09634	13.9
205.03526	8.4
211.03957	2.3
211.11165	2.6
213.05269	2.2
213.12689	3.7
227.03444	27.6
229.04929	7.6
239.03322	1.9
241.08598	3.3
255.02965	56.1
256.03418	5.0
257.04520	6.0
257.11874	12.8
284.03256	74.3
285.03998	100.0
286.04306	6.4
301.10773	24.8
329.03577	1.8
345.09763	8.9
489.10364	44.0
490.10529	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	533.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31151	1.7
55.01743	2.6
57.03319	5.5
59.01247	100.0
61.98717	2.9
69.36450	15.5
69.39520	1.7
71.01250	19.7
72.99188	8.4
73.02814	12.3
74.89092	1.6
75.00739	2.3
83.01254	7.3
85.02829	11.5
87.00735	3.5
89.02306	11.3
93.03336	6.0
95.01193	2.5
99.00779	2.9
101.02297	14.8
103.03887	3.2
109.02827	2.8
111.00754	27.8
113.02322	12.9
119.03372	4.8
119.04946	5.4
121.02847	3.4
135.00735	1.8
137.02336	2.1
141.22220	1.7
143.03406	5.5
149.05975	2.0
154.99744	4.7
160.04013	2.3
161.04433	6.1
165.01920	2.4
169.06476	2.6
173.00917	10.1
179.03363	1.9
182.07277	4.0
186.72676	1.8
187.02350	2.2
193.98050	2.1
195.08073	1.9
197.09636	15.8
205.03470	15.2
211.11208	4.1
213.12781	3.4
213.79950	2.0
225.05650	4.4
227.03494	9.1
229.05107	3.1
229.18063	2.7
241.08585	16.9
255.02954	23.8
256.03473	3.3
257.11798	21.1
265.09256	5.6
284.03235	39.2
285.04047	41.0
286.04395	3.1
301.10739	22.4
307.10233	3.2
345.09796	7.7
353.10156	2.2
383.20154	2.0
401.21887	4.4
413.21603	3.1
443.22809	3.8
489.10306	20.2
489.30612	4.9
490.10623	3.5
490.23138	2.5
533.24353	3.3
533.30182	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	532.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93044	1.0
59.01245	10.0
61.98700	100.0
69.39893	5.8
69.40298	1.9
71.01263	1.1
93.17665	0.9
98.19796	1.3
101.02367	1.1
113.02271	1.2
117.47135	1.0
121.02800	1.2
136.83942	0.9
221.32841	0.9
414.53531	1.0
447.13419	1.9
472.20029	1.4
532.18805	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99309	0.2
58.22439	0.2
59.01254	2.6
60.01540	0.2
71.01264	0.2
71.52768	0.3
72.99185	2.1
73.99504	0.2
75.00743	100.0
76.01076	0.9
77.45955	0.2
93.03272	0.2
95.36319	0.2
120.04414	0.4
121.02805	0.3
161.45067	0.2
269.95013	0.2
281.13074	0.3
413.68179	0.2
456.22992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.5
57.03313	5.2
59.01247	65.0
60.01582	1.6
61.98706	7.9
69.03315	2.4
69.18715	3.7
69.19136	11.0
71.01244	22.5
72.01556	1.5
72.99187	4.3
73.02818	7.3
75.00737	3.3
77.91460	1.7
80.02550	1.8
81.03310	1.4
83.01254	5.1
85.02817	14.8
87.00700	2.8
88.75093	1.3
89.02309	10.3
93.03334	43.1
95.01257	4.0
96.95904	2.4
97.02805	2.0
99.00780	2.3
99.04383	1.6
101.02308	13.4
101.38757	1.3
103.03899	3.1
107.04919	3.3
108.02050	37.1
109.02829	15.9
111.00776	6.5
113.02315	10.6
114.05480	2.8
118.02927	1.7
119.03496	2.6
119.04913	78.3
120.01585	1.4
120.05245	27.3
121.02847	8.6
123.00740	2.3
123.04414	3.1
125.02335	2.0
133.01279	1.5
134.03618	4.3
135.00818	2.2
135.04398	5.9
136.01523	2.1
137.02339	65.9
137.05952	1.6
138.02728	1.4
143.03398	1.7
145.02806	2.7
145.06497	2.6
146.02373	100.0
147.00793	1.6
147.02736	5.2
147.04395	3.5
148.03935	2.0
149.01233	2.2
149.02344	31.4
149.87993	1.2
150.02924	2.6
151.03885	1.9
152.01054	47.2
153.01833	17.8
153.05505	1.5
159.12456	1.3
161.02283	2.3
161.04480	3.5
163.03912	76.5
164.04536	38.4
164.06935	1.9
165.01761	2.0
165.05374	5.0
166.02530	1.7
173.00824	2.0
173.02261	1.6
173.04477	1.7
173.05960	4.1
174.03189	1.5
175.00279	13.4
175.03896	4.2
176.00832	6.1
177.01796	1.9
177.05470	6.3
178.06030	1.9
179.03398	4.3
179.05598	2.0
179.07007	7.0
181.04927	2.7
188.04643	2.0
188.07080	5.9
189.05455	5.5
190.02628	41.2
191.03246	17.9
191.07037	2.2
192.03871	4.1
193.01347	2.9
193.05023	2.9
197.09657	5.7
203.07016	4.1
204.04211	2.1
205.04988	38.8
206.05640	28.2
207.02910	8.5
207.06401	3.7
208.03653	6.1
209.04431	6.0
220.96410	1.6
221.08122	22.0
222.05269	2.8
223.06053	50.3
224.06354	3.8
232.03706	1.7
235.02357	2.0
237.07654	11.3
241.14529	1.6
247.06009	2.0
250.04802	8.9
251.05537	3.7
257.11896	3.2
265.07117	71.2
266.07468	3.9
269.04474	7.6
271.06113	1.3
281.06528	2.2
285.03925	2.7
295.08139	21.1
301.10727	8.7
311.07648	6.0
315.07150	4.9
325.09244	28.6
326.09753	3.4
353.08652	2.4
354.09082	3.3
367.10333	13.0
368.10675	20.4
395.09766	2.6
472.25760	2.5
489.14117	3.6
491.28659	2.1
531.25006	2.0
532.15302	19.0
532.26624	3.7
533.12915	51.7
533.20898	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	531.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02396	0.3
59.01249	100.0
59.72614	0.3
60.01596	0.9
61.98724	0.7
70.81849	0.9
70.89790	0.3
86.42773	0.3
98.15592	0.3
141.93170	0.4
145.50095	0.3
197.46709	0.3
207.78123	0.4
233.23560	0.3
411.40921	0.4
501.21558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88818	0.3
59.01251	16.9
61.98698	3.3
65.00193	0.5
69.17514	0.5
69.17807	4.4
71.01250	4.6
72.99179	1.3
73.02818	2.0
73.68940	0.4
75.00737	0.6
78.57117	0.3
79.64338	0.3
83.01259	1.2
85.02825	3.4
87.00740	1.0
89.02322	1.1
91.01779	0.6
93.03333	20.9
94.03619	0.6
95.01270	1.4
98.29646	0.3
99.00759	0.7
99.04419	0.5
100.65291	0.4
101.02334	2.5
103.03895	1.7
108.02052	17.8
108.04438	0.7
111.00758	6.4
113.02320	2.0
119.01294	1.6
119.03359	0.6
119.04942	1.1
120.01974	0.4
121.02850	1.7
125.02316	0.5
134.03696	0.4
135.04407	0.8
137.02332	4.9
143.03401	0.6
146.02380	63.6
147.00764	1.1
147.02768	2.2
148.01617	0.5
149.02361	1.9
150.03076	0.6
151.00177	0.4
151.03896	0.6
152.01033	0.6
154.99789	0.8
159.03079	0.6
160.03996	0.5
161.04463	1.2
163.00249	0.4
163.03877	0.9
164.03444	100.0
165.01877	0.7
165.03758	2.9
165.05252	0.9
173.00813	1.1
173.02206	0.4
174.03223	0.4
175.00284	5.6
175.03876	0.4
176.01089	2.6
178.05005	2.0
179.07010	0.8
182.07271	0.9
189.01836	0.6
190.02643	13.4
191.03400	3.6
197.09663	4.0
205.03397	1.8
205.05034	10.1
206.05432	0.5
208.03694	0.9
209.04494	1.2
211.11215	0.6
213.12820	0.9
221.08109	0.9
223.06104	2.6
233.04533	0.7
241.14607	0.6
251.05533	1.0
257.11832	1.6
265.09299	1.6
266.09644	0.9
266.41766	0.4
268.03836	0.5
269.04477	1.4
284.03140	0.4
285.04065	1.1
299.01947	0.6
301.10791	7.8
309.07730	0.5
314.04477	0.4
325.09299	2.1
345.09756	0.9
353.08710	6.1
367.10284	10.2
368.11090	0.4
370.09045	0.6
471.12967	1.1
532.14539	1.2
532.20990	2.3
533.21088	0.7
533.29248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2235
Annotation	BE 31405
Peak:m/z	Relative Intensity
59.01249	100.0
60.01587	0.6
66.28073	0.3
68.14387	0.3
70.77406	0.3
70.77750	0.7
71.01246	1.2
72.56432	0.3
73.02834	0.5
85.85645	0.3
89.02322	0.3
91.21412	0.3
94.30657	0.3
101.02352	0.6
113.02362	0.8
119.27384	0.3
169.36412	0.3
175.22173	0.3
233.99072	0.3
241.26135	0.3
271.06110	0.4
295.13455	0.4
369.13583	0.9
376.77917	0.3
399.14282	0.4
471.20279	1.6
531.23328	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01568	0.9
61.98707	2.2
63.16939	0.6
73.02824	2.1
75.82630	0.6
96.30493	0.8
98.19743	1.7
101.06013	0.7
123.26449	0.7
144.00102	0.8
173.84464	0.7
182.59119	0.8
399.29141	2.4
411.29019	19.5
411.34262	1.2
412.29654	2.6
413.30573	24.0
414.30945	3.4
457.29797	2.2
531.22986	1.1
531.37299	0.8
536.98413	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.2
56.91135	1.9
57.03312	6.6
59.00961	3.6
59.01247	71.0
61.98684	6.4
64.89279	1.9
69.28248	1.8
71.01252	38.6
71.04887	4.5
72.99176	4.3
73.02801	8.1
73.50076	1.8
74.02315	2.4
75.00727	2.3
83.01255	12.1
85.02818	28.2
87.00742	28.3
89.02322	16.1
93.03342	15.4
95.01230	2.4
97.06446	4.0
99.00732	2.5
99.04375	4.0
101.02316	20.2
103.03889	47.3
108.02042	10.2
111.00744	4.1
113.02329	14.3
119.03369	7.7
119.04910	4.5
121.02831	6.3
121.06427	5.1
129.81796	2.1
135.04343	3.9
137.02310	12.1
143.03343	2.6
146.02377	37.6
149.02246	2.0
151.11183	12.2
161.04408	3.3
161.09647	2.3
163.03845	5.2
164.03447	50.6
164.04747	5.3
165.05524	2.1
166.10133	1.9
173.04471	2.3
175.00273	4.3
175.11098	3.0
177.09087	7.3
177.12711	2.9
178.04919	2.3
179.05461	2.4
179.10675	2.8
190.02614	10.2
191.03337	2.5
195.10170	4.6
203.10617	2.5
205.04980	5.5
221.11671	2.7
223.05966	3.2
230.34468	2.4
241.14412	3.6
265.09241	76.3
266.09589	2.7
269.04623	3.9
283.11694	3.1
326.06552	3.6
353.08755	3.9
354.06082	2.6
355.07019	3.4
367.10147	5.2
370.09143	3.9
413.14450	3.4
443.19131	35.5
444.19144	3.0
445.16708	6.2
469.20605	8.9
471.25244	2.4
483.22061	3.5
531.20612	100.0
532.14191	11.9
532.21393	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	531.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19302	3.5
59.01244	100.0
61.98705	9.9
62.68845	3.9
69.52370	25.5
71.01243	5.4
73.02851	4.3
74.18782	3.9
78.24525	4.1
85.02839	5.4
90.16557	3.7
92.04942	5.3
98.20224	16.0
101.02296	4.2
101.05992	5.9
101.42421	4.3
109.23431	3.6
112.79866	3.8
148.03900	7.7
173.02318	9.8
175.03845	4.8
187.03871	8.2
201.01833	26.3
211.13358	5.2
212.13669	9.9
227.07100	23.7
228.19493	4.0
245.08127	25.4
400.36865	5.0
441.93317	4.5
444.29950	4.7
471.34015	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	531.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.5
57.03313	1.4
57.04747	0.6
58.00463	0.5
59.00953	1.1
59.01251	21.4
61.98697	3.4
65.00184	1.1
68.89957	0.5
71.01254	7.1
72.99175	0.5
73.02808	2.6
75.06408	0.5
83.01249	1.7
83.04884	0.6
85.02814	3.6
87.00761	2.1
89.02301	3.5
93.03336	2.4
99.00732	0.9
99.04337	0.7
101.02332	4.1
103.03892	1.0
107.01262	1.0
109.02827	0.9
111.00796	0.8
113.02296	3.0
117.03334	9.8
117.04092	0.9
119.03386	0.8
119.04892	3.7
121.02773	0.8
123.04439	0.8
125.02341	0.5
133.06505	0.8
135.00757	1.2
135.04434	0.9
137.02306	2.4
139.04065	0.7
145.02861	1.1
145.06479	0.7
149.02335	2.1
151.00288	1.4
153.01698	0.5
158.74651	0.5
159.04420	0.9
161.02321	3.6
161.04529	0.8
161.06007	0.6
163.00331	0.6
163.03923	1.9
175.00244	1.5
177.01837	4.0
178.99727	2.4
187.03911	0.6
189.05530	6.3
190.02650	0.7
201.05354	0.7
205.05023	0.9
213.05466	2.2
215.03436	2.0
217.01381	1.1
223.03804	0.6
224.04550	0.6
225.05495	1.0
227.03496	1.2
231.06512	2.2
239.03357	0.6
240.04379	0.7
241.14474	1.2
253.04958	1.0
257.04510	2.4
265.09262	1.8
268.03833	4.0
269.04514	11.0
270.04895	0.9
272.81320	0.6
281.04562	11.1
282.05057	1.0
293.04828	0.9
295.02448	5.8
297.00681	1.3
297.04025	20.5
298.04437	1.3
307.06042	7.0
308.03238	4.3
308.06598	1.0
323.09293	6.5
333.07721	3.1
335.05582	11.4
335.09415	1.0
336.05862	1.0
350.07953	12.1
351.08725	33.5
352.08987	3.0
353.10071	0.7
369.09760	9.6
441.65625	0.6
513.13934	3.5
514.14117	1.0
531.15039	100.0
532.15387	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	531.1506
Annotation	Styraxlignolide B
Peak:m/z	Relative Intensity
55.48319	0.3
59.00962	0.4
59.01252	6.9
61.98690	0.4
63.02265	1.2
65.00196	0.9
67.16449	0.3
68.99705	0.4
69.42508	2.6
71.01257	3.0
73.02810	0.9
74.20901	0.3
79.01749	0.3
83.01242	1.2
85.02806	0.6
87.00729	0.3
89.02298	0.6
93.03345	3.8
93.03947	0.4
101.02312	1.0
103.03896	0.7
107.01273	2.4
111.00788	0.4
113.02314	0.6
117.03351	2.7
119.04916	0.5
126.36305	0.3
137.02333	6.4
147.04347	0.5
148.01538	0.9
149.02339	1.2
149.99501	0.7
151.00256	3.8
152.00926	0.4
158.03658	0.4
159.04482	0.7
161.02322	0.4
164.07039	1.2
169.01270	0.4
171.04419	1.1
172.05127	1.0
175.00165	0.4
177.01817	2.2
178.99832	0.6
183.04405	0.7
185.02406	0.6
190.56682	0.3
195.04440	0.5
196.05173	1.1
199.03947	0.5
200.04742	1.0
211.03952	3.0
212.04713	1.1
224.04655	0.6
226.87048	0.3
227.03477	0.4
239.03412	4.4
240.04210	5.5
267.02930	1.5
268.03745	100.0
269.04364	13.3
270.04749	0.4
277.56070	0.3
283.02460	0.9
283.19159	0.5
295.02435	1.3
296.03253	20.3
297.04019	28.6
298.04358	1.6
351.08716	0.9
377.89185	0.4
489.27939	0.4
531.15070	58.9
531.26819	2.6
532.15344	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	531.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35462	0.2
59.01250	6.2
61.98690	0.7
63.02265	1.0
65.00184	1.2
68.99678	0.3
69.41221	2.0
71.00889	0.3
71.01257	3.0
73.02822	0.9
83.01261	1.2
85.02819	0.7
89.02318	0.7
91.62498	0.2
93.03329	3.5
101.02332	1.2
103.03895	0.4
107.01266	2.8
108.02032	0.2
109.02792	0.4
113.02308	0.6
116.92768	0.4
117.03338	2.3
119.04874	0.4
121.02845	0.6
123.97118	0.2
135.04387	0.3
137.02347	7.8
143.27214	0.2
147.04413	0.5
148.01541	0.6
149.02336	0.7
149.99481	0.6
151.00269	2.7
152.01039	0.5
159.04456	0.4
161.04460	0.5
162.06409	0.2
164.07037	1.5
167.04898	0.4
169.01268	0.4
171.04416	0.9
172.05194	0.6
173.00687	0.2
175.00365	0.5
177.01825	2.5
177.05338	0.2
178.99747	0.7
183.04411	0.8
184.05167	0.7
185.02330	0.6
195.04417	0.8
196.05090	1.1
199.03923	0.5
200.04614	0.5
203.52859	0.2
211.03914	3.0
212.04735	1.2
221.19070	0.3
223.04008	0.4
224.04776	0.3
224.41138	0.2
225.05449	0.5
227.03461	0.7
239.03452	3.4
240.04260	4.3
241.04707	0.3
253.04988	0.3
265.09259	0.3
267.02921	2.5
268.03745	100.0
269.04346	13.6
270.04898	0.8
281.04443	0.2
283.02557	1.4
283.19101	0.5
295.02438	1.5
296.03232	18.4
297.03998	28.6
298.04358	1.5
309.20782	0.4
323.09134	0.2
351.08618	1.4
369.10019	0.3
483.75699	0.3
489.27020	0.3
531.15045	55.0
531.26935	3.0
532.15240	5.5
532.22668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.5
57.03325	1.8
58.00466	0.4
59.01248	26.3
61.98706	2.5
65.00201	0.5
67.01756	0.4
69.03331	0.5
71.01253	10.7
71.53139	0.7
72.99194	1.2
73.02820	4.1
75.00742	1.2
83.01268	1.7
83.04914	0.7
85.02820	5.3
87.00755	1.5
87.04401	0.7
89.02306	3.8
90.20896	0.4
91.01768	0.6
91.05412	0.5
93.03333	11.5
95.01279	0.8
96.95885	0.7
97.06480	0.5
99.00736	0.9
99.04401	0.7
101.02325	6.1
103.03871	3.2
106.04123	1.4
107.01311	0.4
107.04911	0.8
108.02052	1.6
109.02844	1.9
111.00770	1.4
112.03915	0.8
113.02330	4.1
115.00229	1.0
117.03338	2.3
118.98005	0.4
119.01290	1.5
119.04912	100.0
120.04504	0.6
120.05216	3.1
121.02823	3.9
123.04399	1.2
125.02354	0.8
129.01796	0.5
134.03639	0.8
135.00787	1.0
135.04387	1.8
135.08020	0.7
137.02348	9.2
137.05974	0.4
138.03033	0.4
143.03334	0.8
145.02834	4.4
145.36458	0.4
146.02339	1.4
147.00780	1.5
147.04411	0.6
148.01556	2.3
148.03992	0.5
149.02345	4.2
150.03110	4.5
151.00284	0.8
151.03828	0.8
152.01074	1.3
153.01820	2.3
159.04433	0.6
160.03963	0.6
161.02246	0.4
161.04477	1.4
161.09615	0.5
163.03911	46.9
164.04594	4.0
165.01791	0.8
165.05464	1.7
166.02592	0.5
175.00262	8.3
175.11189	1.3
176.01059	19.1
177.01498	0.8
177.05478	16.3
178.05890	0.9
179.06984	0.9
187.11180	1.0
190.02634	20.7
191.03418	23.8
192.03850	0.6
193.01363	0.7
193.05115	0.5
194.02103	1.6
195.02870	0.7
195.13908	0.5
196.14323	0.5
198.73138	0.4
205.04987	20.2
205.12270	1.1
206.05504	0.8
207.06488	1.1
208.03627	0.9
209.04478	5.0
221.08017	0.8
223.04102	0.5
223.06050	5.2
233.04518	0.7
239.12714	0.8
240.13213	0.6
249.11273	4.7
251.05513	1.4
255.03082	0.8
264.45422	0.4
265.06870	1.0
265.09238	1.2
267.15924	0.6
268.03638	1.5
269.04538	4.0
283.02310	1.3
283.15347	0.9
284.03070	0.6
285.04037	2.6
289.14438	0.9
295.08151	0.7
308.05432	0.6
312.04968	0.5
325.09448	0.5
326.06595	3.4
327.21796	0.6
338.06332	0.8
341.08957	1.4
351.08331	0.7
352.08212	1.0
353.08740	27.8
354.05261	2.0
354.09186	1.5
355.06833	1.8
357.21600	0.5
367.10315	18.8
368.07080	1.1
368.11047	0.9
369.09167	1.3
370.09351	4.0
393.15509	10.0
394.15836	0.7
431.09711	2.5
447.08963	1.2
449.45648	0.5
450.13190	1.6
450.63901	0.7
516.12573	0.7
531.14850	24.0
531.24158	3.4
532.14655	12.1
532.23199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78799	0.4
57.03311	0.7
58.00463	0.5
59.01251	17.4
61.01664	0.4
67.01754	1.0
71.01254	5.8
73.02795	1.1
73.23431	0.3
83.01234	1.1
85.02818	1.7
87.00732	0.5
89.02315	5.8
95.04848	0.4
97.02857	0.5
101.02319	5.9
111.00738	1.1
113.02338	3.5
119.03353	1.7
125.09595	0.5
137.09625	0.4
143.53545	0.4
160.05772	0.4
161.04449	2.6
161.55051	0.4
177.12788	0.4
179.05525	1.6
179.14349	0.8
191.14374	0.4
195.13831	8.8
196.14412	0.9
205.12213	0.8
209.11787	2.3
211.13406	1.5
223.13330	5.7
228.13663	0.5
229.62259	0.5
231.21193	0.5
245.19102	0.7
253.09256	29.3
254.09625	0.6
256.13098	0.9
265.21741	0.8
275.20139	4.8
289.18091	2.3
293.21210	100.0
294.21564	6.0
307.19180	3.2
308.19638	0.5
321.98221	0.4
441.22894	0.5
443.20731	0.9
485.21936	3.1
492.22192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01410	1.1
57.03317	2.5
59.01249	100.0
60.96270	1.2
61.98691	4.8
69.03324	1.3
71.01254	16.5
71.04903	1.8
71.08070	2.7
72.99179	1.3
73.02817	14.7
74.03147	2.0
81.17838	1.3
83.04913	2.1
85.02801	6.3
89.02312	9.8
95.01266	1.6
95.04885	1.5
97.06477	6.1
98.44404	1.2
101.02328	14.8
101.05975	1.3
109.06476	2.3
111.08039	2.0
113.02322	12.2
119.03391	4.0
121.10101	15.9
123.07899	1.3
125.09595	2.5
140.70377	1.3
141.37195	1.1
149.09555	1.4
151.11200	3.3
161.04459	4.3
163.11041	1.3
165.12785	4.2
165.94171	1.2
169.12291	2.1
171.10178	55.5
171.11659	2.8
172.10492	1.5
175.07489	1.2
176.64551	1.1
179.05516	1.7
179.10719	2.2
181.12262	6.5
183.13704	1.3
191.10664	4.1
195.13834	1.9
197.11758	1.4
199.13339	1.5
202.11765	1.4
209.11778	34.2
211.13335	4.7
223.13326	2.4
225.11121	1.9
235.16891	1.8
245.19109	4.3
253.09256	37.7
263.20120	1.7
275.20151	53.5
276.20532	2.7
289.18091	5.2
292.20071	1.2
293.21210	90.2
294.21509	5.2
307.19135	25.7
308.19513	3.0
320.44589	1.2
321.21066	1.5
440.38382	1.3
529.23169	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	529.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	2.6
57.03315	6.7
59.01249	87.8
61.98704	17.4
69.13625	2.1
69.21896	21.0
70.12198	1.9
71.01251	42.2
72.99171	5.6
73.02812	11.8
75.00746	4.8
78.95753	2.3
82.05758	2.0
83.01246	13.0
83.04911	2.7
85.02829	18.5
87.00752	5.7
87.04380	4.5
89.02328	15.9
91.01769	2.4
93.03326	5.9
95.01266	4.7
96.95863	6.2
97.02811	2.9
97.29017	1.9
99.00765	6.6
101.02312	16.8
103.03871	7.9
107.04886	2.7
108.02053	6.0
109.02824	5.6
111.00764	10.2
111.04417	2.1
113.02314	15.3
117.03388	2.1
119.03389	4.9
119.04922	9.5
121.02821	4.8
123.04411	5.9
123.08045	2.7
125.02300	4.3
133.06502	2.2
133.10109	2.1
134.03578	2.8
135.04411	6.2
137.02351	3.4
137.05991	3.6
139.00266	3.3
145.02840	3.8
147.04385	3.3
149.02379	9.6
149.05988	2.9
150.06743	7.2
151.00252	4.2
151.07539	4.4
152.00995	6.3
152.99429	3.2
153.01826	3.3
160.03946	3.0
161.04417	6.0
161.05960	9.8
162.95549	2.0
163.03894	8.3
163.07524	5.3
164.04654	7.3
165.05473	6.3
173.04517	3.3
175.00359	9.5
175.03838	3.2
175.07497	3.6
176.04683	7.3
177.01886	2.8
177.09094	21.5
189.09099	7.6
190.02646	20.9
191.03372	4.4
191.10603	2.6
193.04971	2.3
195.13768	2.9
203.07083	5.6
205.04999	21.0
205.08450	2.5
213.14729	2.4
219.10197	11.4
221.08167	2.8
221.11763	4.9
223.06041	12.2
229.86583	2.1
235.13298	14.3
239.12767	6.7
245.08130	2.8
247.09665	4.4
253.08495	2.8
253.10898	4.7
261.11401	2.0
263.09247	6.4
263.12766	2.1
265.06897	3.3
265.09229	12.1
269.04486	7.1
291.10733	4.3
305.17514	3.0
323.13385	6.4
325.20337	2.5
367.17560	100.0
368.17896	4.8
482.20865	2.4
485.16498	15.5
529.23480	46.9
530.23285	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	529.229
Annotation	Eurycomaoside
Peak:m/z	Relative Intensity
57.03325	0.9
59.01009	0.7
59.01254	8.4
67.75169	0.7
69.32063	1.8
69.32484	3.7
71.01257	3.2
72.99139	0.6
73.02808	0.9
83.01217	0.8
83.04944	0.6
85.02814	1.6
87.04379	1.5
87.53729	0.6
89.02306	2.2
93.03320	1.0
96.95894	0.7
101.02300	1.9
103.03915	1.2
107.04876	0.7
111.00760	0.9
113.02319	1.7
114.69318	0.6
119.03397	0.7
119.04874	1.4
121.02849	0.8
121.06464	0.8
131.14828	0.6
133.10092	2.0
135.04407	2.5
144.88940	0.6
148.05223	0.8
149.02310	1.9
149.05946	1.5
150.06761	2.5
151.07613	0.8
161.04587	1.0
161.05960	8.9
162.06653	1.2
163.04004	0.8
163.07564	2.1
164.04688	1.2
175.00238	1.1
175.03949	0.7
175.07568	1.1
175.21541	0.6
176.08305	1.7
177.05605	1.0
177.09111	16.1
178.09506	0.9
179.06996	1.0
188.08113	0.6
189.09135	6.7
190.02733	3.0
191.10646	0.7
193.04979	0.7
194.05765	1.2
198.72382	0.6
203.07074	6.4
205.05035	4.1
205.12296	1.4
206.05635	1.2
217.08705	0.7
217.12244	1.7
219.10292	1.0
223.06056	2.7
226.04764	1.5
229.12331	1.7
235.13341	19.2
236.13683	1.0
247.13361	0.9
249.11346	0.8
253.08736	0.8
261.11160	3.8
265.06940	1.4
265.09302	1.9
265.14429	1.5
279.12274	0.9
287.16492	2.2
291.12479	0.8
305.17548	3.2
323.13278	1.2
323.18719	1.7
349.16501	1.4
367.17581	100.0
368.17960	8.1
403.49408	0.7
529.23694	7.7
530.22760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01582	0.9
61.98704	1.4
69.29094	6.4
69.96712	0.7
73.02824	0.8
97.86616	0.6
99.09640	0.8
121.02840	80.5
122.03176	2.1
157.07358	0.7
174.26164	0.8
175.03984	1.2
263.09161	1.3
418.48764	0.7
463.00146	0.8
511.43350	0.7
530.15497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2076
Annotation	Deoxytryptoquivaline
Peak:m/z	Relative Intensity
55.01744	1.3
57.03314	3.7
59.01250	61.3
60.01551	1.2
61.98699	3.5
63.44942	0.9
65.88553	1.1
67.01749	4.0
68.99677	1.9
69.03326	17.2
71.01255	9.7
72.99182	2.7
73.02818	1.2
79.95619	1.2
81.03326	2.5
83.01247	4.5
83.04915	5.5
85.02817	10.4
87.00746	1.9
87.04385	3.5
89.02293	3.5
93.03329	2.5
95.01270	4.1
95.04903	8.7
96.95902	1.6
97.02828	10.2
99.00742	1.7
101.02297	4.7
102.92278	1.0
103.03860	2.0
107.04901	3.0
108.02032	1.3
109.02822	2.7
109.06451	2.0
111.00763	5.2
111.04386	5.7
113.02315	3.6
119.04903	1.8
121.02815	6.6
121.06461	1.6
123.04428	1.0
124.01585	5.2
125.02317	2.1
133.06476	1.8
135.04463	2.1
135.08057	3.3
136.62215	1.0
137.02330	1.4
137.06081	1.1
139.03908	2.3
145.02895	1.3
147.08043	1.9
147.11725	1.1
149.09552	1.8
152.01022	2.1
161.09546	1.1
166.02698	2.4
173.09599	1.2
175.07553	1.1
178.06184	1.2
185.11671	1.6
201.11256	3.5
206.02129	1.2
209.11772	15.6
211.13339	2.0
227.12694	2.0
241.15979	1.6
243.14006	2.6
253.15932	1.9
263.14542	2.0
265.09238	1.5
279.17572	3.1
281.11871	2.7
281.15463	2.0
282.15494	1.2
297.18594	4.8
319.20401	1.7
321.18509	2.3
323.16211	2.2
325.10773	1.8
337.21683	1.8
339.19730	1.5
341.17545	2.4
358.32471	1.1
367.11813	2.9
381.20673	1.8
399.21887	8.3
425.19556	2.9
443.20752	4.4
444.21909	1.5
485.22015	5.5
487.19748	20.5
529.20752	100.0
530.21069	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	529.2287
Annotation	Eurycomaoside
Peak:m/z	Relative Intensity
50.24408	0.1
52.42541	0.1
55.01762	0.1
57.03302	0.3
59.01242	1.3
61.98701	0.1
69.73148	0.2
69.73556	0.5
71.01257	0.6
73.02819	0.1
80.33990	0.1
83.01265	0.1
83.04879	0.2
85.02814	0.5
85.06469	0.4
87.00720	0.2
87.04386	4.3
88.04723	0.1
89.02314	0.4
95.01247	0.2
95.04897	0.4
97.06483	0.5
98.20533	0.2
101.02320	0.3
103.03897	1.4
107.04910	0.3
107.08556	0.2
109.02856	0.1
113.02341	0.2
119.03362	0.2
119.04848	0.2
121.02847	0.5
121.06449	0.3
122.03627	0.2
123.04392	1.4
123.08023	0.3
124.09156	0.1
125.05974	1.4
134.07254	0.4
135.04401	1.1
136.05215	0.2
137.05957	0.4
142.62494	0.1
148.08810	0.4
149.02344	0.2
149.05971	1.2
149.09622	0.2
150.06761	1.2
151.07544	19.1
152.07893	0.7
158.99327	0.1
161.04442	0.2
162.03133	0.5
164.04553	0.2
171.11716	0.2
175.07558	0.4
175.11241	0.1
176.04756	0.2
177.05487	0.5
177.09213	0.2
177.12762	1.9
178.06250	0.7
178.13100	0.1
179.07005	0.1
188.08357	0.3
191.10619	0.1
192.07828	0.3
193.08621	3.7
193.12257	2.5
194.08972	0.2
194.12668	0.1
203.10715	3.4
204.11110	0.2
205.08630	14.6
206.08910	0.9
219.10258	0.5
220.10976	2.4
221.11769	50.9
222.12099	2.4
223.06021	0.1
229.08699	0.2
235.06122	0.1
235.13322	0.3
237.14977	0.3
245.08107	0.7
247.09731	10.7
248.10141	0.7
264.09967	0.7
265.10928	10.7
266.07346	0.1
266.11414	0.5
281.13965	0.7
305.14008	0.3
322.11685	0.2
323.15121	0.2
323.18570	1.5
324.19153	0.2
349.16479	2.8
350.17038	0.2
357.04205	0.1
367.17575	100.0
368.17911	8.4
376.37607	0.1
529.23004	7.6
530.23199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2077
Annotation	7-Deoxo-7beta-acetoxykihadanin A
Peak:m/z	Relative Intensity
55.01744	2.2
57.03313	2.2
59.01250	43.4
65.00181	1.6
67.01761	31.9
68.99688	7.8
69.03327	1.7
69.75622	3.4
71.01254	3.3
72.99198	0.6
79.05372	0.7
82.72472	0.5
83.01262	8.7
83.04878	1.1
85.02821	5.9
93.03322	0.8
95.04915	1.0
97.02831	0.9
97.06477	0.9
101.02309	1.1
101.05928	0.6
107.04880	1.7
109.06486	1.2
111.00762	24.3
111.04370	2.6
119.04917	1.5
121.02830	2.1
121.06477	1.3
123.00759	0.9
123.04386	1.7
133.06549	0.7
135.04385	1.2
137.02319	1.5
137.05952	3.4
138.03098	2.6
139.03891	1.7
149.09636	0.7
151.03883	0.8
151.11208	3.1
159.08040	0.7
161.06036	1.0
161.09605	0.8
168.30215	0.6
173.06009	0.7
177.05397	0.6
187.07536	1.6
189.09207	0.7
195.10172	1.0
203.10666	1.8
219.10190	1.7
313.18024	0.7
329.17517	1.1
331.19083	4.1
343.19070	0.9
355.19098	7.5
356.19531	0.8
366.07169	0.8
369.20639	1.1
371.22256	2.2
373.20035	3.2
381.20807	4.6
383.18634	3.0
397.20123	2.4
399.21735	13.5
415.21378	6.2
425.19608	1.2
439.21252	1.5
441.22833	13.7
442.23047	1.5
443.20721	28.0
444.21030	2.4
457.22394	3.4
485.21790	100.0
486.22128	8.6
494.34644	0.7
501.21426	1.1
529.20459	13.2
530.21008	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	529.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14347	0.4
57.03313	0.6
59.01249	54.7
61.98704	0.5
65.03821	0.5
67.01758	33.8
68.99683	8.0
69.03309	0.5
70.27146	0.8
71.01244	1.6
73.02818	0.5
81.03313	0.4
83.04902	0.8
85.02805	1.7
85.06468	0.4
85.95342	0.4
86.86072	0.3
87.00704	0.5
87.04388	100.0
87.35428	0.3
88.04739	1.1
93.03333	0.4
93.68254	0.4
93.68861	0.4
99.00771	0.4
101.02297	0.5
101.05944	0.4
107.04875	0.8
109.02829	0.5
109.06471	0.6
111.00758	3.1
111.04408	0.9
113.02319	0.8
113.05960	0.8
121.06542	0.5
125.42861	0.4
132.47432	0.3
135.08044	0.5
137.05998	0.5
147.07982	1.2
161.73358	0.3
165.12750	1.5
171.08292	0.3
173.09624	0.6
175.07541	0.8
177.09100	0.4
183.13815	7.0
201.11185	1.2
209.11751	2.6
213.12778	0.5
219.10106	2.0
227.12709	1.7
251.14418	0.8
253.09262	0.5
253.12328	0.6
267.17429	0.5
269.15280	1.0
271.13327	0.8
291.19604	0.9
293.20935	1.1
295.16922	1.3
311.48022	0.4
313.14459	0.6
313.18085	0.4
315.19705	0.6
323.16507	0.8
324.90585	0.4
339.19684	0.5
347.18585	2.1
349.14337	1.0
367.15396	3.2
368.15784	0.4
371.18494	1.6
381.21024	0.5
383.22159	1.0
389.19620	0.9
397.19824	0.8
411.14532	2.4
412.14462	0.4
415.21234	3.5
417.22800	1.4
425.19562	1.6
441.18765	0.5
459.24930	2.1
469.18362	2.9
473.31528	0.4
485.25421	12.3
486.25632	1.3
511.28784	1.2
529.24335	37.5
530.24756	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	529.2076
Annotation	7-Deoxo-7beta-acetoxykihadanin B
Peak:m/z	Relative Intensity
57.03337	1.0
59.01250	97.0
60.01603	1.0
67.01757	56.8
68.02078	1.1
68.99685	13.5
69.03319	1.4
69.21037	5.3
69.21455	2.1
71.01259	2.6
71.06519	0.9
72.63416	0.7
73.35888	0.7
79.05415	0.7
81.03304	0.7
83.01283	1.2
83.04890	1.4
85.02821	8.6
95.01249	1.4
101.02374	1.1
107.04945	1.4
111.00771	6.0
113.02334	1.0
119.04993	1.1
121.02842	0.9
121.06491	1.1
123.04411	0.8
133.10251	0.8
135.04410	1.5
137.05965	3.0
151.11192	5.2
159.08055	1.2
176.87480	0.7
177.09105	0.7
189.09152	1.0
195.10242	1.3
199.11342	0.9
203.10561	1.4
207.10220	0.8
215.14342	1.0
270.54471	0.7
329.17511	0.9
331.19193	8.7
332.19449	1.2
345.20605	0.8
355.19104	16.7
357.17157	1.0
369.20782	1.6
371.22128	2.2
373.20169	6.4
381.20731	8.2
397.20071	2.8
399.21759	21.2
400.22144	1.9
415.21249	5.4
441.22794	26.7
442.23065	4.0
443.20676	4.1
485.21765	100.0
486.22092	13.5
519.08728	0.8
529.29205	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.8
57.03342	1.0
58.00469	0.7
59.01248	18.5
61.98703	0.7
69.19377	4.0
69.19807	2.2
71.01255	14.4
72.99195	1.2
73.02848	1.8
73.27829	0.5
79.00935	0.6
80.97410	0.5
83.01283	2.0
85.02819	3.2
87.00769	0.7
89.02324	6.3
91.05417	0.7
93.03375	2.1
95.01288	1.4
99.00760	1.0
101.02317	7.0
107.01233	0.5
107.04934	1.2
108.02067	4.0
109.02875	1.6
111.00776	1.3
113.02328	5.6
114.40498	0.6
115.03881	0.6
117.03378	1.1
118.65666	0.6
119.03409	2.9
119.04935	2.4
121.02834	5.1
123.00805	0.6
132.02101	0.6
134.03632	2.1
134.54140	0.5
135.04402	5.6
137.02370	1.5
143.01498	0.6
143.03459	0.7
143.07019	0.6
147.04443	2.9
149.02345	39.3
150.02972	1.1
151.00305	2.0
152.01059	5.1
153.01791	1.0
153.05469	0.7
158.76340	0.6
161.02318	0.9
161.04437	1.4
162.03194	1.5
163.03915	12.7
164.04694	35.0
165.01817	0.9
165.05457	4.5
166.02640	2.2
173.02336	2.3
173.04367	0.6
175.00275	2.8
176.01085	2.0
177.01909	1.4
177.05484	5.5
178.02669	0.8
178.06256	2.2
179.03456	1.8
179.05554	0.8
179.07021	7.4
180.07263	0.7
181.04959	2.0
183.04866	0.6
183.06564	1.1
188.04694	3.9
190.02649	16.1
191.03412	17.8
192.04073	1.5
193.01434	1.7
193.05020	1.7
193.08664	0.7
194.05646	0.7
195.59135	0.5
201.84033	0.6
203.07057	5.0
204.04277	1.8
204.57979	0.7
205.03061	1.0
205.04990	19.5
206.05765	34.1
207.02922	11.8
207.06313	2.1
208.03693	9.5
209.04237	0.7
216.05402	0.7
219.06647	0.8
221.08136	38.3
222.05330	4.1
222.08562	2.0
223.06058	59.3
224.06415	2.9
231.15868	0.6
235.02350	3.2
235.06093	0.7
237.07617	17.6
238.08139	0.7
247.06085	2.0
250.04768	15.2
250.07259	1.0
251.05312	0.7
265.07141	100.0
266.07516	4.6
271.06155	1.6
277.07343	0.7
280.05814	0.8
295.08243	16.6
296.08496	1.2
323.13498	20.9
323.17639	2.7
324.13953	1.0
325.05508	1.3
325.09250	16.2
326.09525	1.1
367.16922	1.6
385.11417	1.4
431.02075	0.7
444.84946	0.7
449.13159	1.3
469.23547	0.7
529.19098	60.9
530.19769	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	529.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82243	0.7
59.01245	2.8
69.64746	4.7
71.01246	3.8
72.99162	0.9
73.02810	4.3
81.03296	0.8
85.02827	1.1
89.02341	1.2
94.52412	0.7
96.95884	0.7
108.02065	1.5
109.02826	6.1
109.23450	0.7
111.00772	0.8
118.27707	0.6
121.02837	7.9
122.03617	11.8
123.04382	1.5
123.07994	1.5
134.03667	1.7
135.04411	2.1
137.02318	1.7
149.02367	4.9
150.03143	5.1
151.00246	1.0
158.97032	0.7
159.04457	0.8
161.02390	1.9
161.09746	0.8
163.03871	1.0
163.07512	1.9
175.07463	0.8
175.11096	1.0
191.10704	17.6
193.04909	0.9
201.09232	0.7
203.10689	6.5
206.08180	1.3
219.10161	3.8
221.11722	2.0
235.06133	1.0
241.12329	1.3
247.13350	2.2
259.13293	1.8
265.14444	1.8
277.14365	2.1
293.13754	0.7
295.15494	32.9
296.15805	2.8
303.12469	0.9
305.14011	1.2
321.13345	1.8
323.14966	100.0
324.15308	6.6
349.12793	4.3
367.13940	29.3
368.14374	2.6
529.11584	1.4
529.19226	29.3
530.19446	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	529.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	1.1
59.01233	3.0
61.98691	0.8
63.96096	0.8
65.03821	1.0
69.26681	6.3
71.01250	3.7
72.99190	0.7
73.02822	5.1
85.02814	1.4
93.03285	1.2
108.02030	3.1
109.02821	8.6
111.04406	0.8
113.02319	1.1
121.02840	10.3
122.03630	16.3
123.04418	1.7
123.08010	1.3
133.02841	1.0
134.03621	1.1
135.04402	1.7
136.01523	1.0
137.02351	1.7
149.02359	6.3
150.03120	7.9
159.04420	1.2
161.02333	2.7
163.03955	1.3
163.07584	1.7
173.09619	0.9
175.11212	0.9
182.02138	1.7
191.10692	18.4
192.11119	1.2
203.10701	7.8
212.13403	0.7
219.10243	4.1
221.11797	2.0
229.12009	0.9
231.10185	0.9
247.13306	1.3
249.11224	0.7
259.13318	1.3
265.14423	2.7
277.14456	2.9
281.03555	0.7
293.14041	1.3
295.15479	27.2
296.15787	2.1
321.13638	1.2
323.14978	100.0
324.15347	8.0
349.12958	3.5
367.13940	29.7
368.14182	1.4
485.20459	1.1
511.14221	0.7
529.19275	25.1
530.19128	3.5
535.79993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.9
56.13239	2.2
57.03316	6.3
59.01252	76.3
60.81260	2.3
61.98697	11.5
71.01251	33.2
72.99173	4.1
73.02816	13.6
75.00748	4.0
83.01278	7.9
85.02826	23.3
87.00719	4.1
87.56734	2.6
87.68352	2.2
89.02308	10.9
89.41498	3.0
93.03315	3.6
95.01283	2.9
95.04882	3.0
95.60018	2.5
96.95868	6.8
99.00765	4.0
101.02329	18.6
103.03874	6.7
108.02040	7.9
109.02827	5.3
111.00748	6.9
113.02300	9.2
116.92732	3.0
119.03432	3.9
119.04922	7.8
121.02799	5.7
123.04415	3.6
124.01508	3.3
125.02302	4.3
135.04405	8.0
137.02304	6.0
137.05943	9.8
143.03406	4.1
147.04393	5.8
148.05154	3.9
149.02299	3.4
149.05974	13.3
150.06763	5.3
151.00287	3.0
151.07578	4.7
152.01042	7.0
152.99467	6.0
153.01793	3.3
160.03911	3.5
161.02266	3.0
161.04436	3.9
163.03900	5.6
163.07545	4.5
164.04630	3.7
165.05432	6.3
175.00288	3.8
175.07582	4.2
176.04701	26.7
177.05486	3.6
177.09091	6.3
189.09062	2.6
190.02654	6.2
190.18015	2.6
191.03471	4.9
191.10756	4.9
201.09264	3.5
203.07033	4.3
205.04971	11.1
209.04546	4.3
213.14864	5.5
219.10210	69.4
221.11775	4.5
223.06055	4.9
229.61467	2.8
239.12737	3.5
245.08144	24.6
247.09821	3.2
253.10767	3.8
262.08456	6.0
263.09247	48.6
264.09470	3.4
265.09186	12.5
291.10730	6.2
326.09116	2.9
341.23071	2.8
367.17526	13.0
485.16605	100.0
486.16763	10.3
529.22308	35.7
529.30176	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2286
Annotation	Satratoxin H
Peak:m/z	Relative Intensity
58.00462	0.7
59.01249	100.0
60.01574	1.0
67.01765	2.1
69.03328	1.0
69.17759	8.5
71.01241	1.1
73.02817	20.7
75.00740	6.8
83.04902	3.0
85.02846	0.8
87.04398	1.2
89.15514	0.7
91.25129	0.7
95.01268	1.2
97.02796	1.6
98.20596	1.4
107.04910	1.0
111.04415	1.1
121.06496	4.4
129.06950	0.7
131.70723	0.7
133.06520	0.9
135.08073	1.8
145.06425	1.0
147.08064	2.3
149.09592	5.2
161.09630	0.7
163.07486	0.8
165.09067	0.8
168.60446	0.7
175.28587	0.7
183.08150	0.8
189.12767	1.0
201.09181	0.8
215.10500	0.8
217.12338	2.6
243.10220	2.5
257.19104	1.0
267.17578	2.8
269.19223	1.1
285.18588	1.8
295.13480	2.1
313.18192	0.9
328.52414	0.8
335.18646	1.0
337.21509	1.1
347.16684	0.9
365.21359	2.6
373.17957	0.7
381.20575	1.3
384.69730	0.8
389.21323	0.9
391.19211	7.9
409.20313	2.3
431.20947	0.9
433.20184	7.3
434.20566	0.9
453.19193	6.7
465.22595	0.9
471.20236	14.0
471.48492	0.8
472.20471	1.2
527.22833	46.8
528.23242	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.03308	1.0
59.01248	9.2
61.98676	1.0
67.01757	2.2
68.99680	1.6
69.03317	0.6
70.34777	1.2
71.01254	3.8
71.04880	0.4
72.99149	0.5
73.02810	7.1
83.01270	0.4
83.04887	1.0
85.02819	9.6
87.00739	0.6
89.02318	3.0
93.03341	0.3
93.99387	0.3
95.01259	0.4
95.04883	0.7
97.02838	0.3
97.06461	0.4
99.00731	0.4
101.02315	4.2
109.06503	0.6
111.00764	0.8
111.08038	8.0
113.02335	2.0
113.09650	0.4
119.03378	0.9
121.06461	0.4
128.99330	0.3
131.03482	0.4
133.10115	0.3
135.04378	0.4
137.09608	0.8
143.03343	0.4
161.04434	1.4
167.10701	1.6
169.12294	0.3
171.10052	0.4
177.12762	1.4
179.05466	0.5
179.10681	1.6
183.13721	0.6
195.13834	5.5
196.14099	0.4
201.11092	0.4
203.14211	0.3
235.08197	0.6
247.20721	2.2
248.20901	0.3
253.09256	17.6
254.09459	0.4
273.18701	1.6
291.19644	100.0
292.20007	7.1
351.15790	0.4
395.14886	2.0
396.15039	0.4
409.09064	0.3
413.19690	0.7
441.18918	0.7
455.20706	0.4
469.18726	2.0
483.20169	5.3
484.20551	0.6
527.20337	0.6
527.28101	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	527.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52330	0.2
59.01248	2.5
66.48532	0.2
69.21404	1.6
69.21826	0.9
71.01244	0.8
73.02825	0.4
81.94532	0.3
85.02835	0.3
91.05402	0.3
95.01252	0.3
97.02824	0.5
99.04395	0.8
101.02329	0.5
113.02290	0.7
121.02879	0.3
127.46923	0.3
131.04919	0.9
133.54620	0.3
137.05980	1.0
139.00261	0.4
143.26840	0.3
147.04424	3.9
161.02351	0.3
161.04556	0.3
175.03917	66.0
176.04279	2.5
187.03883	1.3
201.09175	0.4
205.04948	0.3
227.07085	3.1
245.08154	10.4
246.08461	0.8
261.07724	0.4
263.09219	100.0
264.09567	6.4
266.42258	0.3
323.14731	1.7
365.15829	0.8
431.93735	0.4
496.17682	0.5
527.21234	1.0
528.19891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75664	0.3
54.43196	0.3
57.03315	0.8
59.01243	4.9
60.87062	0.3
61.98698	0.6
67.01760	0.7
69.03310	0.7
71.01250	3.0
71.04884	3.9
71.52337	0.6
73.02815	100.0
74.03148	1.1
81.90450	0.4
83.01253	0.8
83.04897	0.6
85.02818	1.1
85.06443	0.3
87.00741	0.6
89.02318	1.3
95.01254	1.5
95.04883	2.2
97.02807	0.6
97.06475	1.8
97.30126	0.3
99.00730	0.5
101.02305	1.5
101.05933	0.8
107.04905	0.3
109.02788	0.5
109.06442	0.7
111.00774	0.5
113.02303	0.6
113.05958	1.0
119.03417	0.4
121.02840	0.5
137.05901	0.7
137.90996	0.4
151.11153	0.5
161.04388	0.4
166.89377	0.3
181.12277	0.6
189.12767	0.4
199.13109	0.6
201.11147	0.3
207.13757	0.5
209.11752	1.7
217.15820	0.4
219.13806	0.5
225.11153	0.8
227.12784	0.4
235.16841	0.6
243.12155	0.4
243.80052	0.3
245.18854	0.4
247.20381	0.6
250.30110	0.3
253.09253	5.5
291.19641	25.8
292.19778	1.3
295.13037	1.6
301.18082	0.4
427.20694	0.9
471.20242	2.3
483.23831	3.3
495.72287	0.4
527.22211	14.0
528.22791	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2133
Annotation	Dutasteride
Peak:m/z	Relative Intensity
55.01760	0.4
57.03328	2.3
59.01245	9.0
61.98698	0.6
68.99694	0.4
69.03325	0.8
71.01247	6.1
71.52283	0.6
72.99178	0.8
73.02817	2.0
74.53522	0.3
81.03326	1.0
83.01255	0.8
83.04938	0.7
85.02820	6.9
87.00742	0.5
89.02320	3.3
93.03336	1.2
94.49548	0.3
95.01264	1.9
97.02809	1.6
99.00789	0.4
99.04412	0.4
101.02322	3.7
103.03885	10.2
107.04903	1.2
108.02050	43.7
109.02844	22.3
109.03610	0.7
109.06461	0.7
110.03175	0.8
111.00767	0.8
111.04408	0.8
113.02334	2.7
119.03397	1.3
119.04884	0.6
121.02818	2.5
121.06458	0.7
122.03648	1.7
123.00777	1.4
123.04403	2.3
124.05183	1.2
125.02312	0.4
125.05965	0.7
133.02850	1.0
135.00775	0.6
135.04419	1.0
137.02374	1.6
137.05974	1.7
139.00288	0.5
139.07544	5.3
140.01010	0.4
147.08047	0.4
149.02315	1.0
149.05992	0.7
150.03131	0.4
151.00307	0.5
151.03908	1.5
152.01057	36.6
153.01849	10.2
157.08600	1.2
160.03937	0.6
161.02356	0.7
161.04465	0.7
161.06003	0.4
163.03958	0.9
163.07515	0.9
165.01825	1.0
167.03444	0.4
168.00589	0.4
168.07802	1.2
175.07547	0.4
177.01849	0.4
179.05605	0.6
179.07033	0.4
181.12210	1.1
187.07523	0.4
187.11235	2.5
189.09137	0.8
190.02696	1.2
191.03369	0.5
199.13341	0.8
205.04973	0.7
205.08658	0.4
205.12253	4.1
211.13341	2.1
219.10097	0.9
223.06128	0.5
229.12334	0.6
229.14417	4.0
231.10158	0.6
235.13283	0.5
243.06570	0.6
244.06934	0.8
245.07146	0.8
247.07927	0.6
247.13377	0.4
249.11337	0.5
261.11179	1.0
265.09277	13.8
266.09647	0.7
273.11313	1.2
275.12952	1.2
279.12363	2.8
280.08093	0.4
290.04053	0.4
291.12527	0.5
293.13980	1.9
303.12393	1.6
315.07294	0.9
321.13507	2.1
323.14795	0.5
365.12265	0.5
527.21350	100.0
528.21741	11.7
552.99817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87350	0.9
57.03311	1.3
59.01249	76.2
61.98697	4.2
64.74335	1.0
67.01759	16.9
68.99683	51.3
69.03316	2.3
71.01251	12.5
73.02810	5.7
79.05432	1.1
80.96371	1.0
81.03327	1.7
83.01257	2.5
83.04884	4.8
85.02823	10.8
89.02290	1.0
93.03336	1.1
95.04897	1.1
99.00735	1.6
101.02333	4.6
106.04068	1.2
107.04956	1.7
109.02805	1.2
109.06509	1.1
111.00770	3.2
111.04442	1.5
111.08012	1.0
113.02310	1.5
121.06483	3.5
123.00800	1.1
123.04398	2.3
123.08072	1.2
125.05966	2.8
125.09637	1.5
133.06488	1.0
135.04460	1.1
149.05995	1.4
149.09633	1.0
163.07655	1.1
164.54489	1.0
171.08037	1.5
171.10182	2.4
171.82666	1.1
181.12326	1.8
183.13725	1.0
187.11366	1.1
193.14261	1.0
197.11609	1.0
201.11452	1.8
203.10556	1.2
207.10141	1.9
208.08652	1.1
209.11697	5.9
225.11261	3.5
227.12927	1.5
235.11195	1.5
275.14297	1.0
291.17471	2.6
293.15146	1.2
305.24860	4.3
309.18579	3.9
323.19635	1.2
327.19672	3.3
329.17560	1.5
335.20215	2.5
351.19815	1.5
353.17239	1.5
353.21182	2.7
369.20416	1.2
371.18649	7.3
379.19156	1.1
395.18430	2.1
397.20309	4.5
413.19635	20.2
414.20050	1.2
439.21198	4.1
441.19159	1.9
483.20203	100.0
484.20566	15.7
495.19720	1.2
510.16776	1.1
527.32721	28.5
528.32623	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	527.192
Annotation	6alpha-Acetoxy-5-epilimonin
Peak:m/z	Relative Intensity
57.03300	1.3
59.01249	63.8
61.98670	1.2
63.60923	0.8
67.01762	39.3
68.02099	0.8
68.99316	1.8
68.99689	35.3
70.47424	2.8
70.82346	1.0
71.01250	2.5
75.79533	1.0
79.38125	0.8
83.04879	1.0
85.02824	43.1
107.04909	0.9
108.73193	1.0
109.02808	2.1
111.00765	1.6
121.06504	1.3
134.02350	0.9
135.04391	2.0
156.43365	1.0
309.18573	1.5
353.17511	1.4
371.18527	4.7
379.18930	1.9
397.20068	5.0
413.19568	11.0
429.26321	1.1
439.21201	13.2
440.21793	1.9
441.19049	6.8
442.19333	2.1
483.20227	100.0
484.20432	15.1
527.27551	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80574	1.2
57.03326	1.5
59.01250	100.0
61.98698	2.5
67.01762	17.7
68.99680	11.0
69.03326	2.3
69.48518	9.2
71.01250	8.9
77.75105	1.3
80.59401	1.2
83.01259	5.3
83.04909	2.0
85.02824	7.8
89.02296	1.6
95.01270	2.9
97.02826	2.0
97.06448	1.6
99.00743	3.0
101.02374	3.5
101.05978	6.8
107.04891	1.5
108.02051	3.3
109.02858	2.5
109.06512	3.6
111.00764	18.3
111.04414	4.3
113.02299	2.4
119.03442	1.4
119.04891	2.7
120.04388	2.1
121.02813	1.3
122.03629	1.6
123.00760	2.1
123.04401	1.8
125.05997	1.8
125.09626	2.1
137.02361	2.8
137.05983	1.6
138.03078	2.6
139.03854	1.8
143.46271	1.1
149.06053	1.6
151.03905	3.7
152.01068	2.0
155.93369	1.2
181.12276	3.2
201.11067	1.6
207.10187	4.6
209.11755	9.3
209.99834	1.3
225.11234	9.6
227.12843	2.7
243.12340	4.3
267.17410	1.5
291.19656	5.3
293.15479	1.4
309.18677	5.5
317.15775	2.5
319.17023	2.4
335.20166	11.2
351.19736	1.7
353.17554	3.2
353.21384	3.2
371.18680	3.7
377.65042	1.5
379.19159	10.1
395.22290	3.5
397.20200	7.3
398.20551	1.4
413.19638	4.9
439.21347	4.4
441.19003	5.4
443.20651	4.2
455.20526	2.5
460.02618	1.4
483.20236	49.6
484.20557	4.7
509.28424	1.5
527.19489	2.7
527.26691	26.5
528.27197	2.3
541.57349	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1922
Annotation	6alpha-Acetoxy-5-epilimonin
Peak:m/z	Relative Intensity
57.29556	1.5
59.01247	46.8
61.98692	3.9
65.00198	1.5
67.01757	24.8
68.99683	16.8
69.03304	1.8
71.01247	5.5
71.52725	1.2
76.23139	1.2
81.03329	1.4
83.01256	3.2
83.04909	1.3
85.02822	100.0
86.03133	1.9
91.05376	1.6
93.03319	1.4
95.01238	1.3
97.02804	2.2
99.00764	3.9
100.31573	1.5
101.02310	1.4
101.05965	4.7
107.04911	2.0
109.02819	1.9
109.06480	2.4
111.00770	4.7
113.02319	2.2
119.04826	1.7
125.09599	2.8
135.04390	5.5
135.18115	1.3
138.03101	2.8
163.11198	1.8
163.79590	1.2
165.12840	2.0
171.10187	4.0
172.30142	1.6
179.03569	1.4
179.24606	1.4
181.12260	3.1
183.13847	7.5
197.09761	1.5
199.13333	2.8
201.11325	2.3
207.10187	5.0
209.11697	5.4
223.11024	1.2
225.11301	10.1
227.12781	3.1
243.12352	5.1
254.60074	1.3
257.02795	1.7
270.04034	1.9
271.04428	2.9
272.05267	2.0
286.07056	4.4
287.07483	2.9
291.19742	4.8
301.16632	1.8
317.15994	2.6
371.18369	2.5
379.19254	2.1
397.20255	3.9
413.19861	7.1
425.19705	1.4
439.21567	7.3
441.19040	9.6
443.20831	1.4
455.20871	2.3
483.20209	65.3
484.20343	8.0
499.19095	1.3
509.27246	1.5
527.19049	10.2
527.27448	22.2
528.19507	2.3
528.27155	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1921
Annotation	6alpha-Acetoxy-5-epilimonin
Peak:m/z	Relative Intensity
55.60860	0.5
59.01249	37.9
60.82084	0.5
61.98685	0.8
65.00197	1.1
67.01756	21.2
68.99313	1.0
68.99684	16.2
69.03320	1.9
71.01250	1.7
71.32685	0.9
79.32506	0.5
83.01251	2.6
85.02817	100.0
86.03151	1.8
88.07699	0.5
95.01303	0.5
95.04848	0.7
96.95841	0.8
97.02810	0.7
97.06441	0.7
107.04891	1.2
109.02858	0.7
109.06490	0.6
111.00742	5.3
111.04379	0.8
113.02351	0.6
119.04910	0.6
121.06499	0.6
123.00747	0.7
123.04440	0.6
125.02348	0.7
133.06439	0.6
135.04430	4.4
137.02263	0.8
138.03078	2.4
139.03883	0.7
151.03926	1.0
177.05475	0.9
185.09644	0.6
209.11670	0.7
213.12907	0.6
215.41472	0.5
235.11168	0.6
237.12881	0.5
253.12160	0.8
253.16087	0.8
271.13367	0.6
293.15439	0.8
295.17487	0.6
309.18658	0.8
329.17615	1.0
353.17578	0.8
353.21530	0.9
371.18567	1.8
379.19177	1.4
397.20346	2.9
413.19711	6.8
414.19876	0.8
437.19849	1.4
439.21320	8.4
440.21399	1.1
441.19055	12.0
442.19406	0.9
455.20605	3.1
481.18695	1.0
483.20218	55.8
484.20499	7.1
499.19907	0.9
500.88531	0.6
527.19360	9.0
528.19434	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.2
59.01250	44.2
61.98701	1.9
63.96089	1.0
64.16380	0.7
67.13863	0.7
69.03316	1.0
69.43212	5.2
71.01253	13.1
71.36492	0.7
72.99180	1.8
73.02831	4.7
75.00726	1.8
78.98461	5.7
79.95594	9.5
80.96390	58.6
81.03310	0.8
83.01239	1.4
85.02821	6.3
87.00739	3.1
89.02319	1.3
93.03348	0.7
94.97969	15.5
95.01276	1.4
96.95860	2.3
97.02796	2.4
99.00751	1.1
99.04408	1.0
101.02312	6.0
102.32524	0.8
106.97934	2.9
108.02056	1.5
109.02792	0.9
111.00687	0.9
113.02297	3.3
113.05911	1.2
121.02865	4.6
121.06447	0.8
122.97466	5.6
125.02316	3.7
127.03877	1.1
134.97469	4.5
136.98972	1.2
137.02306	1.4
143.03423	0.8
148.99034	4.9
149.02393	1.0
152.01024	1.1
152.98524	6.4
153.05432	0.7
161.04431	1.3
164.98535	11.9
166.99915	0.9
173.14920	0.7
177.01852	0.8
182.99496	2.2
183.13889	3.7
190.02573	1.1
197.04401	0.9
205.04869	1.3
206.99614	3.7
218.99356	3.5
223.06001	1.1
225.00697	21.5
243.01675	1.3
246.21008	0.8
246.99002	0.9
249.11232	1.6
286.07214	0.9
289.14447	1.1
291.12451	1.0
299.04391	2.4
303.12286	0.8
323.22147	0.9
354.02417	1.0
365.16043	2.4
373.21808	1.1
451.17105	1.6
485.27374	1.3
527.17914	100.0
528.18372	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	527.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12798	0.3
57.03333	1.9
59.01249	3.6
61.98685	0.6
68.99703	0.4
69.03325	0.6
69.47562	3.0
71.01250	1.4
73.02803	0.7
81.03325	4.3
83.01246	6.1
83.04892	0.7
85.02821	0.9
85.83595	0.4
89.02305	0.7
93.03355	0.8
95.01269	0.6
95.04891	4.1
97.02814	0.7
99.04393	0.4
101.02303	0.7
107.04914	0.7
108.02026	0.8
109.02805	0.8
113.02325	0.4
119.04929	0.5
121.02838	1.3
122.03640	2.1
123.04416	4.0
123.08092	0.4
124.01530	1.9
125.02314	1.7
135.04427	1.4
136.05147	0.4
137.02338	1.7
137.05972	3.0
138.03096	1.5
139.03893	1.2
149.05946	0.5
149.45844	0.4
150.03094	0.8
151.03908	1.2
152.01096	1.0
152.04674	0.4
155.10614	0.4
162.06764	0.3
163.03854	0.5
163.11180	1.1
164.04742	2.7
165.01834	1.0
165.05560	0.4
166.02672	2.9
167.03397	2.7
171.08183	0.4
177.05435	0.5
177.09158	0.4
178.06293	0.7
179.03400	4.0
180.04182	8.9
187.11285	0.5
189.05449	0.5
189.09084	0.5
191.03429	1.6
192.04253	0.4
193.04984	0.5
193.12227	2.1
205.04980	1.0
206.05756	0.5
208.03659	3.1
209.11778	1.6
215.07080	0.5
217.08640	0.8
217.12320	0.5
233.11899	0.5
235.09734	1.8
235.13330	2.7
237.11273	6.8
249.11256	1.0
249.14977	1.3
251.12639	0.6
259.13257	0.7
263.12973	0.4
267.12338	0.5
275.09848	0.4
277.11447	0.4
277.14343	2.0
279.12344	24.8
280.12744	1.8
280.15363	0.4
291.12338	3.0
292.12793	0.5
293.13937	1.5
303.12701	0.4
305.14050	1.0
309.13559	1.1
319.11917	0.7
321.13403	100.0
322.13757	7.2
326.13635	0.4
333.13351	2.2
347.15405	0.4
351.14459	24.8
352.14688	2.0
363.14426	1.5
365.16092	1.5
385.05789	0.4
405.15283	1.0
423.16483	0.6
441.17688	2.5
465.17551	0.6
483.18457	2.9
527.20679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.8
59.01247	3.9
60.04428	0.4
69.03336	0.7
69.38737	2.1
69.39162	1.9
71.01253	1.0
73.02817	0.8
80.00229	0.4
81.03336	3.2
83.01253	5.6
83.04878	0.8
84.29353	0.5
85.02823	0.6
89.59111	0.5
93.03299	0.7
95.04890	2.6
97.02824	1.0
97.06500	0.6
101.02310	0.7
107.90331	0.5
108.02041	0.6
108.72943	0.4
109.02859	0.6
109.06454	0.5
113.02277	0.9
120.53408	0.5
121.02882	1.1
122.03612	1.8
123.04409	3.6
123.08053	0.6
124.01534	2.0
125.02287	1.1
135.04387	1.8
137.02290	1.4
137.05977	3.0
138.03085	1.7
139.03918	1.3
147.04379	0.7
150.03014	0.8
151.03899	0.8
163.11238	1.3
164.04675	2.8
165.01781	1.4
166.02640	3.4
167.03436	2.2
177.09142	0.5
178.06306	0.7
179.03381	3.6
180.04205	8.4
191.03366	0.9
192.04170	0.9
193.12247	1.5
196.03654	0.6
205.04900	0.8
208.03696	3.3
209.11726	1.2
217.12343	0.6
233.11792	1.2
235.09651	1.2
235.13329	1.8
237.11290	5.4
249.11292	0.9
249.14746	0.7
251.12814	0.8
259.13324	0.8
275.13004	0.5
277.14423	1.8
279.12354	25.4
280.12741	2.0
291.12457	4.0
293.13940	1.0
305.14047	1.3
319.11871	0.6
321.13406	100.0
322.13773	7.4
322.17294	0.9
333.13516	1.7
351.14468	23.3
352.14780	1.9
363.14767	0.8
365.15970	1.3
392.80981	0.4
405.15302	0.5
441.17636	3.1
442.18591	0.6
458.26340	0.5
465.18243	0.7
483.18744	3.0
545.85529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2339
Annotation	Taxumairol Y
Peak:m/z	Relative Intensity
56.13594	0.5
57.03318	1.1
58.00450	0.8
59.01245	31.6
61.32549	0.5
61.98699	7.9
69.03311	0.9
69.44736	3.7
71.01245	15.9
72.99169	1.7
73.02811	8.9
83.01259	2.9
85.02818	3.8
87.00745	2.5
89.02303	5.7
93.03320	0.9
95.01242	1.1
99.00766	1.5
101.02313	10.1
103.03871	1.7
105.15566	0.8
106.04135	0.7
109.02829	0.9
113.02343	4.8
119.03374	1.8
119.04900	0.6
121.02830	4.8
123.04387	1.0
125.02371	0.8
134.03629	0.9
137.02356	1.6
145.03030	0.6
149.02347	9.7
150.03024	0.7
151.00267	0.7
161.04486	1.0
164.04681	8.9
165.05264	0.9
177.05548	0.6
196.03693	8.8
205.08604	0.8
207.79761	0.7
217.08659	1.4
233.11748	6.8
245.11787	1.3
265.09274	2.3
269.04520	1.0
277.14462	0.9
281.99991	0.7
285.14890	0.9
286.41208	0.6
289.14435	1.2
295.38147	0.6
300.17722	0.6
303.15982	31.9
304.16428	2.4
319.15414	1.2
321.17026	11.1
321.20654	1.1
426.57510	0.6
465.21082	7.3
481.31464	1.0
483.22379	18.7
484.22638	1.7
525.23340	100.0
525.30188	4.6
526.23773	9.6
526.31250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2342
Annotation	Taxumairol C
Peak:m/z	Relative Intensity
57.03304	1.3
58.00456	1.4
59.01249	66.8
61.98695	1.7
68.99699	1.0
69.03325	1.4
71.01253	23.8
71.52464	0.8
72.99191	1.2
73.02817	15.9
75.00757	0.9
80.18610	0.5
81.03310	1.2
83.01249	4.0
85.02824	7.9
87.00731	3.6
89.02302	5.3
93.03326	1.1
95.01261	3.1
97.02834	1.2
99.00742	2.0
99.92435	1.1
101.02320	13.5
108.02051	55.1
109.02841	32.7
113.02335	4.9
116.92728	4.6
119.03384	1.5
119.04919	1.8
121.02822	4.9
123.00790	2.5
123.04374	1.1
125.02332	1.0
143.03343	1.0
149.02339	15.3
149.05991	0.8
150.02864	0.7
151.03886	1.1
152.01054	53.3
153.01846	17.0
161.04398	0.9
163.03905	1.0
164.03436	1.1
164.04697	12.6
165.12723	4.0
183.13835	7.8
184.14168	1.0
188.31543	0.7
196.02048	1.0
196.03726	12.7
204.07901	0.8
209.11731	0.9
227.12778	1.2
229.15974	0.6
233.11815	5.6
245.11781	7.4
285.14886	1.5
293.13998	0.9
303.16006	41.6
304.16235	2.8
305.13959	0.8
315.07114	4.0
317.04080	0.6
321.17041	22.5
322.17331	1.9
391.17661	0.5
438.32095	0.6
465.21341	11.6
466.21259	1.0
474.80258	0.7
481.20660	3.1
483.22311	24.7
484.22714	1.9
507.18680	5.3
525.23029	100.0
526.23492	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	525.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	1.5
57.03302	1.9
59.01248	23.9
61.98705	1.4
69.03280	1.0
71.01254	8.3
72.99175	33.4
73.02820	4.4
75.00732	1.8
83.01259	4.5
83.04895	1.6
85.02790	4.1
87.00730	1.5
87.04342	1.2
89.02271	3.6
93.03304	2.2
95.01217	0.9
98.20512	1.7
101.02324	6.6
103.03899	1.4
107.04899	1.0
108.02026	1.1
113.02312	4.8
113.05948	6.5
119.04868	1.9
121.02824	5.5
121.06419	2.9
123.04351	2.9
124.01488	1.1
125.02309	1.4
134.03558	3.8
135.04416	8.2
135.07976	2.9
137.02275	2.9
138.03078	2.1
139.03853	1.1
147.04321	1.3
148.00121	0.8
149.02318	6.2
150.03041	1.1
151.03862	1.1
161.02284	1.5
162.03078	2.8
163.03882	2.2
164.04619	3.2
166.02547	4.1
173.05917	2.1
174.06746	2.3
175.03816	1.7
175.07350	1.2
177.01814	0.9
178.02567	2.3
179.03302	2.4
180.04111	3.6
187.07573	4.4
189.05373	1.2
190.02618	1.3
196.03641	2.1
201.09079	1.1
205.04941	0.9
206.02167	4.8
208.03650	1.2
211.07475	2.5
213.09048	1.6
217.04955	1.1
223.11063	0.9
225.12743	2.1
233.11760	1.1
241.11980	1.5
251.10559	1.0
256.92850	0.9
257.11780	1.1
269.04370	1.4
269.11829	4.7
270.11951	1.0
285.11316	1.6
289.14346	2.1
301.14413	26.8
302.14697	2.0
303.15826	4.1
305.13834	1.7
317.13901	8.0
321.13385	1.4
321.16843	3.1
343.11728	1.5
343.15308	1.2
345.13416	35.8
346.13501	3.0
387.14548	6.6
441.17123	1.6
465.20831	1.6
479.18845	1.4
483.17590	4.6
507.18466	1.1
524.35010	2.2
525.19427	100.0
526.19800	10.9
530.20111	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17057	4.8
57.03321	6.2
59.01255	80.5
61.98709	5.4
63.30584	4.4
63.42548	4.8
69.18777	62.7
71.01257	42.6
72.99182	7.0
73.02818	12.8
83.01256	8.9
83.71880	4.8
85.02830	23.8
87.00734	6.7
89.02314	17.1
95.01266	7.1
98.19720	10.3
98.97923	4.6
101.02304	26.6
113.02328	9.9
119.03400	8.9
119.15268	4.9
122.05975	6.4
150.05649	4.9
152.01018	5.2
152.07045	19.3
183.00346	5.4
187.11142	9.6
195.13985	6.6
201.01852	10.7
202.02211	9.4
205.04897	6.4
205.12238	16.2
269.04584	10.0
283.10818	9.1
303.81357	5.3
319.15500	5.6
320.15805	7.0
361.29398	14.1
367.17529	11.0
369.13129	5.3
435.16373	24.4
462.17722	37.1
480.18832	100.0
481.19101	8.3
523.34448	37.4
524.20221	39.0
524.35291	32.8
525.20081	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	525.1823
Annotation	Stachysoside A
Peak:m/z	Relative Intensity
53.11423	0.5
57.03314	2.5
59.01250	8.0
69.47390	2.2
69.47809	1.6
71.01252	11.2
71.04920	0.4
72.99189	0.7
73.02813	2.1
75.00748	0.6
83.01269	0.8
85.02815	10.3
87.00776	0.9
87.13577	0.6
89.02321	5.4
95.01270	0.8
95.04899	6.3
97.02840	1.1
98.19804	0.7
99.00738	0.6
101.02322	7.6
103.03886	18.6
113.02305	4.7
113.05962	0.7
115.03891	9.4
119.03383	1.9
132.57024	0.5
136.63576	0.5
139.03918	7.1
143.03377	1.0
145.05032	0.7
157.04944	2.9
161.04454	1.8
177.21480	0.5
179.05496	0.6
180.17047	0.5
247.08124	1.8
259.08179	1.4
265.09268	19.2
266.09558	0.8
270.99606	0.6
277.09271	5.4
319.10217	1.2
337.09076	0.7
363.12823	0.9
435.18375	0.6
507.91788	0.6
525.18207	100.0
526.18488	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	525.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.2
55.82418	0.9
58.00456	1.3
59.01249	62.6
61.98716	2.2
69.03339	1.8
69.37669	9.5
71.01247	16.6
72.99189	1.3
73.02819	12.7
79.37517	1.0
81.03316	2.1
83.01254	3.3
83.04975	0.9
85.02817	8.7
87.00745	4.3
89.02316	4.3
95.01269	2.8
99.00714	2.5
101.02321	9.7
108.02051	70.9
109.02844	43.8
109.03439	0.7
109.03609	1.6
111.08045	1.7
113.02316	4.5
116.92747	4.9
118.34624	1.0
119.04916	1.6
121.02850	3.6
123.00762	3.7
123.04401	1.2
124.92020	0.9
135.42654	1.1
149.02336	9.8
151.00293	1.0
151.03900	2.1
152.01051	77.9
153.01845	25.5
163.03870	2.1
164.04665	8.4
165.05106	1.1
165.12758	5.4
183.13828	8.8
196.03700	11.3
209.11749	1.9
233.11745	4.3
245.11800	5.5
301.14648	1.2
303.16010	26.4
315.07187	8.7
319.15637	1.1
321.16998	14.1
322.17114	1.2
367.30728	1.1
465.21198	8.3
481.20749	4.7
483.22290	19.6
484.22464	1.4
507.18811	5.8
525.20160	100.0
526.20453	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	524.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17057	4.8
57.03321	6.2
59.01255	80.5
61.98709	5.4
63.30584	4.4
63.42548	4.8
69.18777	62.7
71.01257	42.6
72.99182	7.0
73.02818	12.8
83.01256	8.9
83.71880	4.8
85.02830	23.8
87.00734	6.7
89.02314	17.1
95.01266	7.1
98.19720	10.3
98.97923	4.6
101.02304	26.6
113.02328	9.9
119.03400	8.9
119.15268	4.9
122.05975	6.4
150.05649	4.9
152.01018	5.2
152.07045	19.3
183.00346	5.4
187.11142	9.6
195.13985	6.6
201.01852	10.7
202.02211	9.4
205.04897	6.4
205.12238	16.2
269.04584	10.0
283.10818	9.1
303.81357	5.3
319.15500	5.6
320.15805	7.0
361.29398	14.1
367.17529	11.0
369.13129	5.3
435.16373	24.4
462.17722	37.1
480.18832	100.0
481.19101	8.3
523.34448	37.4
524.20221	39.0
524.35291	32.8
525.20081	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	523.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00954	6.0
59.01245	84.4
61.98682	5.0
62.82045	3.7
68.41590	4.0
69.03307	7.4
69.52177	10.1
69.52603	19.7
71.01250	67.3
72.99160	8.6
73.02818	29.2
75.00729	5.1
83.01270	6.8
85.02822	31.1
87.00743	4.0
89.02316	36.5
89.62248	4.4
95.01230	6.4
99.00751	16.3
101.02319	45.6
108.02067	6.6
109.02763	4.2
111.08038	3.9
113.02332	29.9
117.03379	4.6
119.04896	9.5
121.02831	5.8
125.02314	8.2
131.03345	5.9
137.02214	5.6
149.04440	7.1
159.02844	5.0
161.04398	16.4
161.09752	4.2
163.03951	5.7
331.17538	13.1
360.40424	4.5
463.21619	100.0
464.22290	7.4
464.56494	5.3
481.26508	5.0
523.20288	8.7
523.28625	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	8.9
59.01247	47.6
61.98700	8.1
71.01241	23.6
72.99186	6.1
73.02798	6.3
85.02815	9.3
87.00746	5.7
89.02335	8.6
95.01235	2.8
99.00768	3.5
101.02326	16.6
106.04127	3.5
113.02320	7.8
119.03408	4.4
121.02813	2.4
134.03616	2.8
135.04498	3.0
137.02316	2.9
137.09592	2.7
149.02354	3.5
161.04443	3.2
165.12608	3.1
175.11346	3.9
186.92065	2.8
187.11208	5.8
195.13843	7.8
205.10493	2.7
205.12212	12.2
229.59634	2.9
239.12863	6.9
240.13065	5.1
241.14381	2.9
268.03909	3.2
269.04373	16.6
270.04871	7.2
349.16537	4.2
367.17554	12.2
393.15338	4.0
420.16214	4.5
435.16602	10.8
438.17648	10.2
439.52786	2.6
441.16998	3.3
462.17664	7.2
480.18658	100.0
481.18915	10.6
506.20981	5.6
523.34705	7.5
524.21191	5.7
524.35284	9.3
525.19531	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	523.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12630	1.5
55.01740	3.8
57.03321	6.7
58.00453	1.9
59.01251	85.8
61.98694	9.0
69.03340	2.8
71.01251	52.6
71.53095	1.6
72.99158	2.7
73.02818	19.2
75.00736	3.3
76.37222	1.8
83.01252	10.9
83.04880	1.7
85.02822	23.8
87.00753	3.7
87.04369	1.6
89.02308	16.5
93.03343	6.3
95.01241	5.0
97.02770	2.2
99.00770	5.6
101.02322	34.0
102.98482	2.8
103.03910	3.0
107.04929	2.0
108.02040	4.3
109.02852	3.6
111.00774	9.3
113.02332	19.3
119.03403	8.4
119.04917	5.1
121.02844	4.1
131.03429	2.5
135.04459	2.7
137.02332	9.4
143.03403	3.7
149.02328	2.6
151.07581	2.0
152.01054	2.8
160.03908	2.9
161.04440	9.6
161.05708	2.5
162.02977	1.8
163.03914	2.0
165.05449	2.4
171.13791	2.2
175.03915	2.6
183.13855	3.1
190.02634	2.1
195.13855	1.9
201.14934	2.4
208.03279	1.8
213.14896	8.5
257.12149	3.2
265.09204	1.8
285.15170	1.9
289.16629	2.7
301.14438	6.9
309.12051	2.1
315.25656	2.4
319.15411	8.6
359.27899	2.2
360.28134	3.1
361.16699	2.4
361.29504	19.0
362.30637	2.1
373.51541	1.9
403.14337	6.2
421.20789	6.7
463.21976	7.4
505.20929	6.4
522.91217	2.0
523.18561	10.3
523.23846	9.8
523.34778	100.0
524.35510	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2183
Annotation	Excavatolide D
Peak:m/z	Relative Intensity
53.64062	0.3
55.01735	0.5
57.03317	0.6
58.00445	0.5
59.01250	19.2
60.01574	0.5
61.01646	0.3
61.47363	0.3
61.98698	0.7
67.01756	0.5
69.03313	0.5
71.01250	10.0
71.10060	0.7
72.99178	14.8
73.02820	7.5
73.07133	0.3
75.00739	0.7
75.52824	0.3
81.03336	0.5
83.01252	2.7
85.02821	2.6
87.00742	1.0
89.02309	4.0
93.03330	0.6
95.01247	0.6
97.02836	0.4
99.00764	0.8
101.02326	6.6
106.04121	0.5
107.04904	0.6
108.02026	1.0
109.02818	1.1
113.02319	3.2
119.03394	1.0
119.04887	1.1
121.02835	4.8
122.03639	2.4
123.03123	0.5
123.04393	1.2
125.02343	0.5
133.02818	0.4
134.03592	2.0
135.04414	5.6
136.01529	1.0
136.05168	1.0
136.07573	3.6
137.02315	0.8
138.05511	0.7
143.03360	0.7
147.04433	1.5
148.01523	1.2
148.05173	1.1
149.02350	4.4
150.03055	0.9
151.03860	0.9
155.03464	0.4
159.04494	0.5
160.03925	0.8
161.02365	3.7
161.04370	0.4
162.03111	3.7
163.03867	1.1
165.05414	0.5
166.02638	1.9
166.13086	0.4
173.06013	1.8
173.09610	0.9
174.03119	3.3
174.06700	0.6
175.03842	0.6
175.07515	1.1
177.01990	0.4
177.09143	0.4
177.12718	0.5
178.02589	1.2
179.03404	1.4
180.38567	0.4
182.02168	0.3
187.07584	1.7
188.08249	1.0
189.05486	0.4
191.03362	1.0
191.69408	0.4
192.06596	1.7
194.02077	0.9
201.05476	0.4
201.09157	1.1
202.06305	0.4
203.07025	1.1
205.08688	1.5
206.02061	2.4
214.06248	0.9
215.07045	0.3
219.06601	0.3
229.15863	1.0
231.06667	0.4
231.13737	0.4
232.07278	0.6
239.14403	0.5
241.12283	0.5
243.13812	2.9
245.15411	6.4
251.07689	0.9
255.13837	1.8
257.15436	24.5
258.15790	1.7
259.17056	0.7
261.14905	1.6
271.16867	0.5
273.14960	6.7
274.15051	0.4
275.16519	1.2
281.13260	0.4
283.13376	4.1
285.11880	0.5
285.14957	4.8
286.15250	0.4
287.16241	0.4
289.14474	0.4
289.18054	0.3
297.14975	0.6
299.13205	0.6
299.16479	0.6
301.14429	34.2
302.14758	1.8
303.15967	4.3
304.16684	0.5
309.12320	0.6
315.15915	1.0
319.15222	1.7
339.13644	0.7
341.15131	2.5
343.15463	3.4
361.16498	0.4
405.19077	0.3
423.20184	1.4
445.18509	0.5
448.18848	0.5
450.72897	0.3
463.19598	5.6
477.21167	0.6
481.20709	4.0
491.19247	0.4
492.17459	0.4
505.20801	2.8
523.21759	100.0
524.22131	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	523.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.1
59.01249	11.3
64.71243	0.7
67.01745	1.8
67.48679	0.6
71.01247	5.6
71.51797	0.8
72.99175	1.1
73.02814	2.8
75.00760	1.1
83.01247	1.0
85.02831	4.3
87.00748	13.8
89.02300	1.6
99.04374	0.8
101.02325	3.7
103.03895	1.6
111.00758	100.0
112.01136	1.4
113.02330	3.0
119.03323	0.7
129.01796	0.8
132.76549	0.6
136.01521	2.1
145.04924	1.1
149.44958	0.7
151.03917	1.7
153.01872	0.6
154.99834	0.9
161.04501	1.2
167.06992	1.2
173.00824	17.3
207.08015	0.6
237.05566	2.1
252.07870	3.5
253.05008	1.8
253.08844	1.1
265.09305	0.9
268.07327	1.5
271.14679	0.9
283.09744	4.5
315.08780	0.8
343.08383	0.8
361.09229	1.0
433.17209	2.7
443.15970	0.8
463.25815	1.3
523.13171	1.4
523.20428	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19033	0.6
57.03323	1.7
59.01248	28.6
61.98704	3.9
67.00367	0.6
69.03308	1.0
70.35423	0.6
71.01247	12.4
72.99180	1.0
73.02815	6.0
82.97858	0.6
83.01249	1.8
85.02808	4.7
85.99958	1.2
87.00755	3.8
89.02325	3.2
92.90424	0.6
95.01281	1.0
98.20550	1.6
99.00737	2.7
101.02325	5.4
106.04118	7.7
107.04949	1.2
113.02313	3.6
115.44937	0.7
119.03436	0.8
119.04908	1.1
121.02808	1.4
124.01527	0.7
125.02310	1.3
134.03624	3.3
135.04387	0.9
138.03140	1.6
147.04381	1.2
149.02376	0.7
151.03889	0.9
159.03152	1.0
159.08083	1.9
160.05135	1.0
166.02655	1.6
175.11192	7.2
180.04120	0.9
182.02116	0.8
187.07599	1.4
201.09085	0.9
229.15929	4.3
247.17036	6.3
248.17218	0.8
257.15533	1.5
273.15030	2.7
275.16473	3.7
282.15106	1.8
291.16049	2.9
300.16125	1.4
301.14465	0.7
319.15649	2.3
337.83420	0.7
342.17456	0.7
361.16919	1.1
391.21167	2.6
409.22247	4.0
410.22360	0.9
417.19254	2.4
419.21054	0.7
433.22440	1.8
435.20166	4.8
444.20306	1.7
446.17413	0.7
451.23447	2.1
452.24255	0.7
453.21191	2.2
460.31604	1.1
462.21179	4.9
477.21231	24.6
478.21658	2.2
478.32639	1.1
480.22012	3.0
495.22791	1.5
504.22379	41.4
505.22610	5.0
522.23505	100.0
522.31458	9.7
523.23639	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	522.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.6
57.03334	1.2
58.00489	0.5
59.01250	63.3
60.01583	1.1
60.40340	0.3
61.98701	100.0
69.51286	2.0
71.01251	9.8
72.01592	0.3
72.99185	0.5
73.02808	3.0
83.01254	1.3
85.02819	4.8
87.00761	0.9
89.02322	2.9
95.01243	0.7
99.00758	0.7
101.02322	7.5
102.02643	0.5
108.02055	0.4
111.00742	0.6
113.02316	3.3
119.03414	0.8
119.04870	0.4
125.02322	0.4
137.02319	0.3
152.00970	0.3
152.07050	0.6
161.04465	2.3
285.14883	0.6
319.15228	0.4
324.00992	0.3
355.21057	0.6
359.27655	1.0
360.28137	1.3
361.28891	0.6
373.22272	5.5
415.23288	6.2
415.64362	0.3
416.23328	0.7
446.17209	0.6
462.21768	0.5
480.22687	0.8
505.20822	1.8
521.33337	3.2
522.23737	1.2
522.33026	6.4
523.34961	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	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93958	0.4
55.01756	2.0
55.76580	0.4
57.03323	4.0
58.00462	2.0
59.01247	52.4
60.01583	1.0
61.01691	0.4
61.98700	8.7
68.99699	0.4
69.03326	1.0
71.01250	42.3
71.04896	0.5
72.01563	0.5
72.99171	3.0
73.02816	9.4
75.00752	1.1
80.42207	0.4
83.01247	5.4
85.02821	18.4
85.06450	0.8
87.00743	2.9
87.04388	0.4
89.01758	0.8
89.02312	17.5
90.98483	1.4
91.01737	0.4
93.03336	1.2
95.01263	4.6
97.02850	1.2
97.06473	1.4
99.00748	3.6
99.04431	0.7
101.02318	26.7
102.02669	0.7
106.19190	0.4
107.03619	0.5
107.04916	0.7
108.02040	3.1
109.02834	1.2
110.24540	0.4
111.00764	2.6
113.02325	16.9
114.02687	0.5
117.61098	0.4
119.03391	7.4
119.04887	3.4
121.02831	0.9
122.06018	1.4
125.02350	1.2
129.01842	0.6
131.03386	0.8
134.03653	0.9
135.04414	0.7
137.02377	0.8
137.09570	0.5
143.03404	1.6
143.10686	1.0
145.02893	0.5
149.02292	0.5
151.00272	0.5
152.01060	3.0
152.07074	2.0
153.01830	3.3
155.10699	1.4
155.87947	0.4
159.02963	1.9
160.03911	0.6
161.04459	5.7
163.03937	1.7
173.02365	0.4
175.00211	0.5
179.05540	1.4
187.13326	0.4
190.02702	1.3
191.03372	0.5
193.01443	0.4
201.14920	1.7
205.05049	0.9
223.06145	0.4
227.10429	0.4
229.18027	1.0
255.19882	0.4
265.09702	0.5
266.07022	0.5
269.04541	0.5
281.09204	2.3
293.09412	1.1
297.12302	0.8
317.14938	0.7
333.16959	3.2
341.10419	0.4
341.26956	0.4
355.13071	0.8
359.27982	20.6
360.28333	1.3
373.21829	0.5
377.28772	0.4
391.23236	2.0
401.24652	0.7
415.61893	0.4
433.28006	0.5
446.17081	2.5
454.55707	0.4
461.22488	0.8
479.22687	1.1
490.16269	0.7
503.32666	1.0
521.33289	100.0
522.18591	0.7
522.33588	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	521.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	5.9
57.27991	0.8
58.00469	1.7
58.32603	0.8
59.01250	24.4
61.98697	5.3
66.70823	0.9
71.01250	12.9
71.52681	1.6
72.99190	1.5
73.02779	0.8
74.66219	0.7
78.95776	2.5
83.01259	1.4
83.04892	1.1
85.02818	20.9
87.00745	1.6
89.02316	12.5
93.03350	0.8
95.01282	1.1
96.95881	0.7
99.04390	1.3
101.02333	8.1
103.03889	38.5
106.03444	1.6
106.04112	12.3
107.04944	6.0
113.02319	5.6
113.09621	3.2
119.03389	5.3
119.04911	2.0
121.02847	1.3
123.08012	0.9
138.03133	3.0
143.03413	1.1
145.02835	1.2
145.04892	1.8
150.06779	3.1
152.99501	3.7
159.08081	2.3
161.09621	2.3
162.06721	6.1
163.03970	1.1
171.10152	2.3
177.09114	2.1
179.10664	1.2
203.07051	1.9
229.15947	15.4
230.16190	1.3
247.08318	1.1
265.09277	100.0
266.09586	4.8
273.14951	46.7
274.15305	5.1
275.20081	2.2
285.14905	1.0
287.16443	2.4
293.21222	21.2
294.21701	1.1
297.24374	1.3
315.15976	26.2
316.16321	2.4
343.21320	4.7
345.17111	3.0
375.18124	14.8
396.41724	0.9
417.19186	3.7
435.20236	1.3
448.27945	0.8
471.21432	0.9
480.81152	0.9
503.30292	3.0
521.24011	85.1
521.31079	10.7
522.24298	10.3
522.31464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Brianodin A
Peak:m/z	Relative Intensity
53.10699	0.3
55.01758	0.5
57.03311	0.8
57.53086	0.4
58.00481	0.5
59.01250	24.4
61.98683	0.9
68.48006	0.3
69.03316	0.8
69.50310	1.0
69.50736	1.5
71.01251	10.6
72.99178	1.4
73.02815	5.6
79.03838	0.3
79.05396	0.4
83.01236	2.0
83.04901	0.4
83.26397	0.3
85.02819	4.9
85.99961	0.4
87.00751	1.3
87.36583	0.3
89.02310	3.5
92.58210	0.4
93.03355	1.0
95.01266	0.7
95.97949	0.3
96.22888	0.3
97.02804	0.4
98.20528	0.8
99.00747	1.4
101.02318	7.6
106.04130	0.6
107.04900	0.4
107.27753	0.3
108.02048	6.4
109.02857	3.5
111.00761	2.3
113.02328	3.6
119.03412	1.2
119.04927	0.9
121.02846	3.2
122.03618	2.8
123.00747	0.6
123.04410	0.5
125.02325	0.5
129.01810	0.4
133.02802	0.8
134.03674	0.6
135.04417	0.8
136.01534	0.8
137.02348	1.0
142.56517	0.3
143.03418	0.6
147.04344	0.7
147.53639	0.4
149.02344	13.4
150.03130	5.0
151.00279	0.4
152.01070	6.1
153.01846	2.1
159.08098	0.6
160.05159	0.5
161.02345	10.9
161.04382	0.7
162.03275	0.4
163.03935	0.8
165.01843	0.4
166.02644	0.4
173.06046	0.5
175.03957	1.8
175.07582	4.3
175.11163	0.4
177.01804	0.5
182.02101	1.0
185.05940	0.5
187.03996	0.6
187.07545	0.5
189.01846	0.7
189.05501	2.1
190.06230	1.1
201.05486	0.8
202.06184	0.5
203.07008	2.3
205.08511	0.4
214.06273	2.8
215.06953	0.6
218.05788	0.4
227.14401	0.5
229.15941	1.4
230.16331	1.0
243.13875	0.6
245.15483	2.4
255.13939	0.5
257.15500	1.8
261.15005	0.9
271.13425	3.4
273.14938	19.3
274.15347	1.4
281.11670	0.9
283.02609	0.4
283.13275	0.4
285.04059	0.4
289.14432	2.8
299.12796	1.2
301.14371	11.1
302.14706	0.8
315.07224	0.9
317.13956	0.6
359.27930	3.4
413.58459	0.4
433.18509	2.0
451.19632	4.6
461.18210	1.9
461.31100	1.1
477.16611	1.8
479.19217	3.5
493.20810	5.3
503.19089	1.1
521.20343	100.0
521.32251	14.7
522.20654	12.0
522.32928	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93080	30.3
59.01241	100.0
61.98687	54.0
63.44272	23.5
66.04642	28.5
70.37595	23.1
71.52602	42.3
76.35569	25.4
78.95779	52.6
96.95849	35.9
121.02844	50.4
138.95621	28.4
152.01018	38.6
152.99480	99.7
153.99805	49.2
154.99936	50.4
443.38889	27.6
521.12225	34.4
521.33252	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10699	0.3
55.01758	0.5
57.03311	0.8
57.53086	0.4
58.00481	0.5
59.01250	24.4
61.98683	0.9
68.48006	0.3
69.03316	0.8
69.50310	1.0
69.50736	1.5
71.01251	10.6
72.99178	1.4
73.02815	5.6
79.03838	0.3
79.05396	0.4
83.01236	2.0
83.04901	0.4
83.26397	0.3
85.02819	4.9
85.99961	0.4
87.00751	1.3
87.36583	0.3
89.02310	3.5
92.58210	0.4
93.03355	1.0
95.01266	0.7
95.97949	0.3
96.22888	0.3
97.02804	0.4
98.20528	0.8
99.00747	1.4
101.02318	7.6
106.04130	0.6
107.04900	0.4
107.27753	0.3
108.02048	6.4
109.02857	3.5
111.00761	2.3
113.02328	3.6
119.03412	1.2
119.04927	0.9
121.02846	3.2
122.03618	2.8
123.00747	0.6
123.04410	0.5
125.02325	0.5
129.01810	0.4
133.02802	0.8
134.03674	0.6
135.04417	0.8
136.01534	0.8
137.02348	1.0
142.56517	0.3
143.03418	0.6
147.04344	0.7
147.53639	0.4
149.02344	13.4
150.03130	5.0
151.00279	0.4
152.01070	6.1
153.01846	2.1
159.08098	0.6
160.05159	0.5
161.02345	10.9
161.04382	0.7
162.03275	0.4
163.03935	0.8
165.01843	0.4
166.02644	0.4
173.06046	0.5
175.03957	1.8
175.07582	4.3
175.11163	0.4
177.01804	0.5
182.02101	1.0
185.05940	0.5
187.03996	0.6
187.07545	0.5
189.01846	0.7
189.05501	2.1
190.06230	1.1
201.05486	0.8
202.06184	0.5
203.07008	2.3
205.08511	0.4
214.06273	2.8
215.06953	0.6
218.05788	0.4
227.14401	0.5
229.15941	1.4
230.16331	1.0
243.13875	0.6
245.15483	2.4
255.13939	0.5
257.15500	1.8
261.15005	0.9
271.13425	3.4
273.14938	19.3
274.15347	1.4
281.11670	0.9
283.02609	0.4
283.13275	0.4
285.04059	0.4
289.14432	2.8
299.12796	1.2
301.14371	11.1
302.14706	0.8
315.07224	0.9
317.13956	0.6
359.27930	3.4
413.58459	0.4
433.18509	2.0
451.19632	4.6
461.18210	1.9
461.31100	1.1
477.16611	1.8
479.19217	3.5
493.20810	5.3
503.19089	1.1
521.20343	100.0
521.32251	14.7
522.20654	12.0
522.32928	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.3
59.01254	1.3
66.35291	0.2
68.99687	0.2
69.03335	1.0
71.01243	2.3
73.02814	0.9
79.01734	0.3
81.03327	1.2
83.01251	0.3
85.02824	2.4
87.00764	0.3
89.02284	0.2
91.01751	0.5
93.03332	1.2
95.01244	1.4
97.02818	0.6
99.00775	0.3
101.02339	1.0
107.01274	0.6
107.04932	0.2
108.02049	71.7
109.02842	38.1
110.03185	1.0
113.02321	1.0
117.03320	0.2
119.01267	1.7
119.04929	0.2
121.02850	2.4
123.00768	1.9
123.04399	1.0
125.02316	0.8
133.02852	0.6
134.03615	0.7
135.00786	1.9
135.04391	1.3
137.02283	0.5
137.42670	0.2
138.03111	0.8
147.00740	1.3
147.04401	0.3
148.01556	1.4
149.02336	6.7
150.03136	2.8
151.03935	1.2
152.01053	77.4
153.01839	30.4
154.02161	1.1
159.02908	0.2
161.02362	1.1
162.03094	0.3
163.03914	2.3
164.04688	4.6
165.01826	1.7
165.05469	1.0
166.02594	0.6
167.03424	1.9
169.04939	0.2
175.00282	11.4
176.01065	12.6
177.01768	1.1
179.03430	0.2
179.07085	0.6
189.01843	0.5
190.02637	26.3
191.03407	21.4
192.03740	0.9
193.01349	0.5
194.02084	1.0
195.03009	1.0
205.04993	18.3
206.05273	1.0
207.03032	0.3
207.06569	0.4
208.03691	0.6
209.04469	2.6
213.08797	0.2
217.01367	0.5
223.06032	2.9
224.06401	0.2
225.03978	0.4
229.05237	0.2
239.03464	0.3
243.02884	0.7
251.05589	0.6
257.04526	0.6
258.05365	0.3
273.07639	0.9
285.04034	0.5
291.06876	0.2
297.06137	0.5
315.07202	22.5
316.07407	1.1
337.09229	0.4
338.06232	0.2
353.08752	6.2
354.09039	0.2
367.10379	1.2
445.65002	0.2
462.11453	0.3
474.07715	0.4
477.14053	2.2
489.10510	1.7
490.10892	0.3
506.10770	0.9
521.12964	100.0
522.13293	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	520.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96465	0.3
59.01242	0.6
61.98677	0.5
65.90067	0.3
68.07002	0.3
71.10291	0.4
71.10634	0.5
71.91601	0.4
78.95774	45.5
96.96841	6.4
96.97438	0.3
119.59818	0.3
121.58289	0.3
123.34615	0.3
137.29080	0.3
150.97939	1.8
152.99490	100.0
153.99823	1.4
157.72134	0.3
162.62495	0.3
164.41173	0.3
167.77104	0.3
171.00542	4.0
182.20294	0.3
258.43631	0.4
279.23279	1.1
354.72388	0.3
415.45114	0.3
433.23584	22.7
434.23935	2.0
520.26825	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	521.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.8
59.01252	27.4
60.01562	0.5
61.98698	3.3
65.03830	0.6
68.99696	0.8
69.03326	1.3
70.03725	0.5
71.01254	16.5
71.52559	1.1
72.01602	0.5
72.99189	2.7
73.02818	5.1
75.00746	0.7
77.31492	0.5
78.05312	0.6
81.03328	2.1
82.54366	0.5
83.01254	3.3
83.04916	0.6
83.90486	0.6
85.02343	1.0
85.02819	9.7
87.00745	2.4
88.01062	0.6
89.02308	6.4
93.03334	12.9
95.01254	2.6
97.02827	1.2
99.00743	1.9
99.04356	0.6
101.02328	10.5
103.03899	1.2
106.04122	1.3
107.04931	1.1
108.02050	52.0
109.02842	23.5
111.00727	1.1
113.02335	7.8
116.92702	1.0
119.03363	1.7
119.04927	4.1
121.02822	3.2
122.05990	2.4
123.00755	2.0
123.04388	1.4
123.09560	0.6
125.02362	1.5
129.01814	0.9
134.03629	12.6
135.00836	0.8
135.04416	3.3
136.01680	0.5
137.02345	18.2
138.03110	0.7
143.03413	1.3
147.00836	0.8
147.03117	0.5
147.04297	0.6
149.02347	11.3
150.03119	2.2
150.05568	0.6
151.03923	1.1
152.01053	64.4
152.07088	3.4
153.01855	12.9
159.02963	0.6
159.08055	1.1
161.04451	1.5
163.03911	3.6
164.04706	8.1
165.01790	1.5
165.05437	1.0
166.02618	0.8
167.03363	0.9
169.05052	0.6
175.00323	1.5
175.11179	1.7
176.01033	1.4
179.03503	0.9
179.07065	1.3
190.02644	2.6
191.03464	2.8
193.01173	0.6
194.02075	1.1
194.88014	0.6
195.02968	0.8
205.05023	2.0
207.02835	0.7
208.03691	3.6
209.04556	3.4
218.22919	0.6
223.06064	23.0
224.06406	0.9
245.15460	0.9
246.15770	0.8
265.06918	0.9
266.06995	1.0
274.15265	0.8
281.06531	1.1
281.09354	3.6
282.15057	1.8
283.15320	1.7
293.09171	1.7
298.14563	0.7
299.12558	0.7
300.15887	0.9
317.10461	1.1
333.19534	0.6
353.08749	1.5
359.28055	3.9
367.10144	0.6
403.12238	0.9
407.20926	0.7
408.20935	0.9
419.22943	1.6
446.17255	4.6
461.19852	1.5
476.20053	2.6
478.20120	1.0
479.22052	1.7
490.16403	1.2
502.20712	0.8
503.21164	5.7
503.32224	0.8
504.21991	1.0
506.10919	1.1
520.21875	3.4
520.32178	1.6
521.13068	100.0
521.21991	16.7
521.33191	18.7
522.12994	10.3
522.19495	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.8
55.30201	0.4
57.03309	1.0
58.00463	0.6
59.01249	31.8
60.01583	1.3
61.98702	10.2
69.03311	0.7
69.36770	4.1
70.81070	0.4
71.01247	14.2
72.01588	0.5
72.99187	1.5
73.02818	7.1
73.64014	0.4
83.01244	2.4
85.02818	5.3
87.00746	1.7
89.02319	4.5
90.63299	0.4
93.03336	4.6
95.01260	1.7
96.28983	0.4
97.02838	0.5
99.00723	1.1
101.02315	9.6
103.03767	0.4
106.04123	9.7
107.04913	8.3
108.02039	2.3
108.05241	1.7
109.02842	1.2
109.51612	0.5
111.00745	0.8
113.02333	4.9
119.03392	1.5
119.04893	2.6
121.02805	1.4
123.04457	0.6
125.02345	0.6
134.03629	1.6
135.04350	0.6
135.98164	0.8
137.02330	0.9
138.03098	2.0
143.03400	0.7
149.02318	1.8
151.03856	0.9
152.01054	1.6
152.07083	0.6
153.01820	1.2
159.08076	0.9
161.04489	1.6
161.05846	0.5
163.03902	1.0
164.04648	1.0
166.02618	1.1
171.16557	0.5
177.04195	4.1
190.02629	2.1
191.03162	0.6
204.41037	0.4
205.04982	3.0
206.05318	1.7
209.03191	3.9
217.07399	2.3
223.06018	1.0
225.12804	1.9
227.03435	1.3
227.14363	9.2
229.15927	27.4
230.16263	1.1
231.08926	0.7
231.79778	0.4
247.25381	0.5
255.02953	1.5
257.03305	0.6
257.15399	1.6
272.05676	0.9
284.03195	0.8
285.03955	2.0
289.14450	0.6
298.14459	15.6
298.17819	1.1
299.14648	0.9
300.16031	33.6
301.16345	1.8
314.08817	0.7
315.07504	0.5
316.15512	0.8
317.14035	1.3
357.26425	0.9
358.26819	0.7
359.06683	0.5
359.28018	2.6
367.10269	1.7
368.10574	3.0
372.14005	0.7
431.26602	1.0
447.09247	2.7
449.27658	1.1
460.19781	1.3
478.20804	5.7
479.21524	0.5
519.31238	0.8
520.21851	100.0
521.06024	1.1
521.21497	10.8
521.33276	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	520.22
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69629	0.8
57.03310	1.0
59.01249	43.0
60.01569	1.1
61.98699	1.4
69.26460	7.8
71.01257	13.3
73.02816	11.5
81.72086	0.8
83.01250	1.7
85.02791	4.1
87.00735	2.7
89.02309	4.8
93.03310	1.6
99.00762	1.8
101.02330	9.3
106.04128	7.0
107.04915	3.7
108.02057	1.9
109.02852	1.2
111.00772	5.4
113.02332	3.7
119.03415	0.8
119.04977	0.9
121.02839	3.9
134.03610	3.7
135.04361	0.9
138.03023	1.0
143.03305	0.8
152.01045	1.2
159.08029	1.9
161.04494	0.9
161.09612	0.9
164.79611	0.8
166.02582	1.3
170.49892	0.8
175.11142	2.2
177.04176	2.1
180.94623	0.9
187.07442	1.1
198.05507	1.1
205.04884	0.9
209.03307	1.2
209.34267	0.7
227.14355	3.8
229.15962	15.3
230.16214	0.8
243.01648	1.1
245.15385	5.7
255.13867	1.4
257.03281	2.2
257.15326	1.7
258.04050	1.0
270.00320	2.4
271.01208	32.7
271.13266	1.8
272.01532	1.8
272.05640	0.9
273.14935	2.4
280.13449	2.4
282.14880	1.8
284.02151	0.8
285.02704	2.6
286.03552	67.2
287.04007	3.7
298.14459	4.5
300.05191	6.8
300.16064	12.2
301.05881	23.8
302.06381	2.1
315.07568	2.0
316.08234	79.0
316.15387	3.5
317.08438	4.9
407.20825	1.8
433.18738	1.1
460.20032	6.1
461.30966	0.9
475.19421	3.6
478.14587	1.3
478.20770	12.6
502.20819	8.3
503.21216	1.4
519.32056	1.2
520.15009	5.8
520.21808	100.0
521.14996	1.5
521.22223	10.4
521.33075	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	520.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15477	0.4
59.01237	1.5
61.98685	1.2
65.03832	0.4
67.01755	0.7
70.54465	1.4
71.01257	0.6
74.49057	0.3
78.95848	0.4
80.62292	0.3
93.03336	1.5
106.04108	2.4
107.04909	1.1
108.02047	2.8
109.02824	1.3
119.04884	0.6
121.02832	5.6
122.03624	5.9
123.04375	1.0
130.03203	0.6
130.04138	10.2
133.02783	0.7
134.03589	0.6
135.00789	0.5
135.04411	0.8
136.01537	2.0
138.03120	0.5
143.04929	4.6
144.05719	2.2
145.02798	0.5
145.06487	9.6
146.03593	0.7
146.06775	0.5
148.01587	0.5
149.02348	2.6
150.03099	1.4
151.00294	0.5
152.01001	0.6
157.06496	6.7
158.02414	0.4
158.07224	1.5
159.04414	1.5
159.08046	8.2
160.05188	0.5
161.02344	3.5
161.05939	1.2
162.03102	1.4
163.07579	0.4
164.61522	0.4
165.01830	1.1
170.07153	0.7
171.08060	2.5
172.08821	0.6
173.05988	1.1
175.07622	1.8
177.01807	0.8
177.12791	1.2
185.06018	0.8
187.03970	3.1
187.07623	0.8
188.04494	0.4
190.06277	0.9
201.05464	4.7
202.06227	1.5
203.02061	0.6
203.06967	1.1
212.12035	0.6
216.07753	0.5
219.06537	3.1
221.02979	0.5
221.08084	0.6
225.12703	0.5
227.14337	5.5
245.15416	14.8
246.15852	1.1
257.15244	0.6
269.15417	0.9
270.15164	0.6
271.13370	38.4
272.13721	2.9
273.14865	1.8
285.14917	2.1
289.14432	100.0
290.14801	7.7
293.21182	0.4
298.14438	15.4
299.14825	1.3
311.15256	1.2
312.15961	0.9
313.14407	2.3
316.15491	12.1
317.15811	0.6
322.14569	2.8
331.15414	4.3
340.15466	5.8
341.15863	1.3
358.16537	1.2
475.20383	0.4
493.20804	11.7
494.21164	1.6
502.20822	24.1
503.21127	3.5
520.21832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57232	0.5
55.01768	0.9
56.65090	0.5
57.03307	1.2
58.00486	0.5
59.01250	36.4
60.01580	0.7
60.62837	0.5
61.98697	0.8
69.03314	1.0
71.01248	12.0
71.01889	0.5
71.02287	1.4
72.99180	1.3
73.02815	8.7
75.00722	0.8
76.34624	0.4
83.01280	2.4
85.02823	4.9
85.99963	0.5
87.00750	2.5
89.02304	3.5
93.03349	1.3
95.01284	0.7
97.02853	0.8
99.00755	1.9
101.02325	7.8
103.03868	0.6
106.04118	8.0
107.04928	2.8
111.00699	0.6
113.02322	3.3
119.03368	0.8
119.04886	0.7
120.32302	0.5
121.02839	0.5
125.02374	0.7
129.01834	0.5
134.03625	3.6
136.65349	0.5
137.02277	0.7
138.03119	1.5
141.01891	0.6
143.03499	0.6
143.04866	1.0
147.04393	0.8
147.08067	0.6
149.02333	0.9
150.03168	0.8
150.61345	0.5
154.63950	0.5
159.03113	0.9
159.08058	3.5
161.02325	1.3
161.04488	0.7
161.05910	0.7
166.02698	0.8
173.09622	1.7
175.07581	0.7
175.11206	5.6
185.05962	0.6
185.57753	0.5
187.07582	1.8
191.03468	0.7
198.05492	0.9
203.07039	1.1
213.07784	1.0
214.06314	1.6
225.12746	1.2
227.14322	4.1
229.15923	7.1
230.16356	0.6
245.15428	6.4
246.15843	0.5
255.13870	1.5
258.82123	0.5
269.15421	0.7
271.13403	1.7
273.14987	5.5
274.15378	0.6
280.13428	1.7
282.12210	0.7
282.14969	7.9
289.14401	1.6
298.14474	10.6
300.16083	3.8
301.14417	1.0
316.15616	0.6
352.27914	0.5
356.07114	0.5
389.19656	1.8
407.20740	4.2
408.21228	0.6
415.17606	0.9
433.18515	2.5
442.18665	1.0
449.21570	2.4
451.19794	2.4
460.19815	6.2
461.18521	1.9
475.19705	15.3
476.19861	2.0
478.20847	4.0
478.26904	0.6
479.19501	1.7
493.20633	1.4
502.20801	24.2
503.20837	3.3
520.21851	100.0
521.20892	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56447	0.3
55.01752	0.3
57.03320	0.4
58.00455	0.4
59.01248	21.2
69.03338	0.6
71.01250	9.1
72.99169	0.5
73.02812	10.9
75.00739	0.3
83.01255	3.0
85.02819	1.6
86.39632	0.3
87.00745	2.3
89.02314	1.4
93.03328	2.2
95.01285	0.6
97.02818	0.5
99.00746	1.1
101.02325	6.3
106.04115	4.9
107.04891	1.2
108.02076	0.3
109.02734	0.3
113.02314	2.5
119.03485	0.3
121.02830	1.1
122.03675	0.4
123.08099	0.4
124.65857	0.3
125.02366	0.4
131.03381	0.3
134.03624	3.9
134.56909	0.3
137.02304	0.6
138.03133	0.7
145.00494	0.4
145.06502	0.5
147.04427	1.0
150.03111	0.8
159.03159	1.9
159.08058	0.8
166.02579	1.8
174.06850	0.3
177.04175	0.6
182.02113	0.5
187.07628	1.9
187.11150	1.5
188.08344	0.8
191.02177	0.9
198.05579	1.6
199.06248	3.9
209.03166	0.6
212.07153	0.8
213.07867	1.1
217.07312	0.9
225.12761	3.1
225.41516	0.3
227.14359	3.9
229.15935	6.5
230.16393	0.4
242.13109	0.4
245.15384	0.4
253.12233	0.5
254.13080	0.9
255.13788	0.9
271.13455	2.0
273.14954	3.5
280.13409	12.2
281.13736	0.7
282.14972	27.0
283.15256	1.7
286.12039	0.8
298.14456	13.3
299.14859	0.5
300.16028	21.5
301.16376	1.3
316.15427	0.7
389.19662	0.8
407.20877	1.8
433.18713	0.6
442.18747	0.3
449.21478	1.9
451.19861	0.9
460.19904	2.3
461.19611	0.3
475.19714	9.7
476.20096	1.0
478.20807	3.5
493.20740	1.2
502.20795	18.8
503.21414	1.7
520.21832	100.0
521.22113	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	520.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.6
61.98697	3.5
65.00201	1.7
68.99677	0.7
91.01796	0.9
95.01276	3.2
98.20641	1.6
105.63514	0.7
105.65239	0.7
108.02007	0.7
121.02808	4.0
123.04432	0.9
131.08583	1.8
145.02803	1.6
148.01479	1.2
159.04422	2.8
159.08041	1.4
161.02316	3.6
161.05992	0.9
165.01830	1.0
173.06030	3.5
174.06702	1.5
175.07520	2.0
176.01067	1.2
177.12749	5.2
187.03925	1.3
187.07574	1.8
188.04707	1.3
199.14853	1.1
201.05498	3.0
202.06213	2.5
203.07047	2.0
219.06532	1.9
227.14383	9.4
228.14665	0.8
229.15987	0.7
243.14020	0.7
245.15411	11.7
257.15433	1.9
271.13376	36.9
272.13705	3.0
285.14929	3.8
289.14435	100.0
290.14758	6.6
298.14487	26.1
299.14670	1.4
311.15298	3.2
313.14447	7.1
316.15549	12.1
317.13919	1.0
331.15460	2.3
340.15491	11.4
358.16446	1.6
493.20770	5.4
494.20721	0.7
502.20718	6.4
503.21234	0.9
520.30035	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	30.2
61.73625	0.8
61.98702	100.0
63.73881	0.8
71.01257	9.0
73.02820	8.3
83.01283	2.7
85.02834	2.5
89.02319	3.1
93.03377	1.0
97.93307	0.6
98.19771	1.7
101.02332	10.1
103.03931	1.1
108.02042	4.3
108.96011	0.9
109.02901	1.5
110.03190	1.0
113.02329	5.2
119.04891	1.6
125.15493	0.7
131.03464	1.0
143.03395	1.3
149.04518	2.1
152.01093	3.7
153.01782	1.5
155.10567	0.7
161.04483	3.1
175.11345	1.0
201.74826	0.7
221.06635	1.1
232.09808	1.2
288.95590	0.8
457.02173	0.8
520.15460	6.4
520.22327	4.7
520.32660	1.3
521.13544	1.2
521.22003	1.3
521.33630	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	520.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
57.03315	0.9
58.00464	0.7
59.01248	42.7
60.01580	1.1
61.98701	100.0
69.34449	4.8
71.01248	17.3
72.99194	0.7
73.02813	16.2
83.01257	5.3
84.84379	0.5
85.02813	3.9
85.75899	0.5
87.00764	1.2
89.02304	5.2
89.15072	0.5
93.03336	1.3
95.01266	1.2
97.02898	0.6
99.00741	0.9
101.02321	18.2
101.46822	0.6
108.02074	1.4
111.00764	3.7
113.02324	7.0
119.03423	2.1
119.04874	0.8
125.02336	0.9
131.03415	1.3
135.04451	0.7
137.02348	1.9
143.03403	1.8
149.04465	3.2
152.01089	1.8
161.04491	4.6
165.44322	0.5
179.05602	0.6
199.67496	0.5
201.28487	0.5
211.07568	0.8
212.07893	0.7
221.06653	1.0
258.34814	0.5
286.03680	0.6
298.11069	0.6
298.14563	1.5
359.28085	1.2
386.96417	0.6
428.98038	0.6
461.21848	1.2
478.24457	0.6
479.22748	1.0
487.88828	0.6
507.44452	0.6
520.15222	0.9
520.22150	4.2
520.31763	2.0
521.26019	1.0
521.33264	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	519.405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10261	1.0
59.01247	100.0
64.44356	1.1
70.53304	1.0
71.53236	1.7
73.45009	1.0
74.34743	1.1
82.68410	1.1
85.06058	1.0
85.30358	1.0
116.72208	1.3
254.24376	1.3
276.38428	1.1
276.56683	1.1
339.64450	1.2
403.35880	1.4
415.36026	1.1
445.19495	1.1
451.40036	1.1
456.95490	1.1
519.23883	1.5
519.31360	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	519.2967
Annotation	Soraphen beta
Peak:m/z	Relative Intensity
57.03319	3.0
59.01245	30.2
61.98701	14.9
68.33466	0.6
69.03314	1.6
71.01254	9.1
71.04883	1.0
71.52424	1.1
73.02818	4.7
83.01242	2.1
83.04885	1.2
85.02812	3.1
86.03172	0.7
87.00767	0.6
89.02304	2.7
93.03336	0.7
93.19997	0.8
95.01273	0.7
97.02840	0.8
99.04392	1.1
101.02297	4.0
102.98482	0.7
103.03857	0.7
107.04936	0.9
108.02045	1.7
109.06429	1.2
111.00770	1.0
113.02332	2.8
119.04908	1.2
121.02837	1.1
123.04414	0.7
123.07994	0.8
135.04381	1.2
135.86810	0.7
137.05946	0.9
149.02261	0.8
152.01028	1.7
159.11633	0.8
161.04391	1.1
163.03915	0.7
171.08041	7.4
173.09616	1.7
174.03093	1.1
183.08060	1.4
185.09554	1.8
191.14290	1.4
197.09706	1.0
198.10448	0.8
202.64258	0.6
205.04971	0.7
229.15880	0.7
246.15735	0.7
259.13193	0.7
261.18546	1.0
265.09238	0.7
274.01688	0.9
285.03809	0.7
287.20337	0.9
288.03033	0.8
293.19177	3.8
296.17645	1.0
297.14960	1.2
298.14435	1.1
299.23813	1.8
302.01227	2.2
305.17493	3.0
306.18134	0.8
307.20581	2.3
311.20123	21.0
312.20532	2.1
314.13934	1.0
315.13562	1.4
317.03546	2.9
325.21686	16.4
326.22073	0.8
327.23093	0.9
329.17343	1.3
329.21188	19.1
330.21631	0.9
331.15417	1.3
331.22632	0.8
337.25278	1.0
343.22586	2.9
355.26434	0.8
363.22241	1.3
369.24039	0.9
381.24405	5.6
387.25272	2.2
399.25403	15.3
400.25781	1.2
401.27042	0.9
403.25394	0.7
417.26340	6.0
443.27997	1.3
457.29471	0.8
459.19949	1.7
461.24298	5.2
461.28979	15.7
462.29669	1.0
475.30615	4.0
477.21323	4.1
477.30258	0.8
501.84854	0.7
519.22498	6.2
519.29486	100.0
520.22247	0.8
520.29675	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	519.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04068	0.4
59.01248	100.0
60.01591	0.8
61.98693	0.8
69.26333	4.5
71.01244	3.9
73.02818	1.0
73.86387	0.5
74.20808	0.4
78.24194	0.4
85.02842	1.9
87.04393	0.7
89.02318	1.0
95.01277	0.7
95.74725	0.4
99.00784	0.5
101.02315	2.2
113.02334	4.3
115.02049	0.4
126.45820	0.4
143.03397	0.6
161.04492	2.0
211.22409	0.5
237.06514	0.4
276.49442	0.4
384.55801	0.5
399.23831	15.2
400.24255	1.2
417.24939	4.3
431.13474	0.5
459.25958	2.7
473.07745	0.5
495.27969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.5
57.03320	0.7
57.88992	0.2
58.00473	0.3
59.01248	100.0
60.01584	1.5
61.98708	0.9
65.00198	0.3
69.22113	2.2
69.22515	0.4
71.01251	9.8
72.99194	0.8
73.02818	4.5
83.01249	1.8
85.02818	3.8
87.00767	0.7
87.04430	0.5
89.02312	3.6
89.91142	0.3
93.03339	0.4
95.01283	0.8
95.63988	0.3
99.00771	1.2
99.04459	0.3
101.02322	7.5
101.05989	0.7
106.04115	0.5
107.04945	0.4
111.00787	0.4
112.01547	0.3
113.02322	5.0
119.03412	1.7
119.04893	2.0
121.02872	0.8
125.02338	0.8
131.03441	0.3
134.03630	0.7
137.02306	0.3
143.03445	0.8
149.02324	0.3
159.03050	0.7
159.08141	0.7
161.04456	2.1
161.05663	0.3
161.09644	0.5
164.98213	0.7
165.99109	0.3
179.05562	0.6
180.00647	0.5
187.07668	0.4
190.21085	0.2
198.05655	0.5
205.04938	0.4
227.14377	0.6
255.19777	0.7
261.35538	0.3
271.01474	0.4
271.13373	0.4
280.13535	1.0
285.04047	0.9
286.03561	1.4
297.20728	0.3
298.14484	1.2
300.05334	0.7
300.16162	0.5
301.05954	0.8
315.08710	2.0
316.08194	2.9
316.15457	2.7
342.00641	0.4
357.26410	0.5
381.23001	0.3
399.12897	0.3
399.23853	7.7
399.28879	0.4
400.24338	0.8
417.24899	8.5
418.25601	0.9
459.25449	2.2
460.20047	0.6
475.19754	2.2
475.32162	0.4
477.31461	0.5
478.21194	0.6
502.20868	2.9
519.18347	3.7
519.31775	3.2
520.14697	0.7
520.21783	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	519.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.2
57.03316	5.4
58.49876	2.3
59.01250	100.0
63.69271	2.4
69.03307	3.1
71.01254	34.6
71.52843	4.5
71.53221	4.2
73.02815	16.9
79.61657	2.7
83.01250	8.2
85.02821	24.6
85.49517	2.3
87.00745	18.2
89.02332	16.5
93.03358	2.6
95.01248	6.2
99.00793	3.7
99.04406	3.3
101.02314	29.5
111.00748	7.2
113.02340	18.8
119.03391	6.3
119.04890	5.3
121.02819	3.9
125.02335	15.6
129.01845	4.1
137.02306	3.4
139.00266	3.5
143.03438	4.9
149.02345	3.1
151.00195	3.3
151.03896	2.8
161.04424	9.6
167.14330	2.7
173.00789	4.6
179.05540	5.8
187.02373	6.7
191.05505	15.4
195.13814	16.2
238.08739	10.6
241.14398	79.1
241.16759	5.1
242.14795	3.2
265.14438	20.4
271.06186	6.6
277.05283	2.6
283.15500	4.9
301.10971	2.7
313.14453	12.0
353.12585	3.1
357.09351	2.8
415.23309	10.4
433.24176	2.8
519.24420	4.3
519.31830	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	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.6
59.01251	100.0
60.01595	2.4
61.98687	4.6
67.01761	3.2
71.01254	29.4
71.39426	4.9
72.99165	6.2
73.02815	15.5
83.01260	8.6
85.02821	28.3
87.00756	5.4
89.02313	27.5
92.55201	2.2
93.03329	5.4
95.01258	9.7
101.02319	24.4
108.02047	3.6
109.02837	5.5
111.00763	43.1
113.01571	3.8
113.02306	22.8
114.90803	2.4
119.03410	5.0
119.04932	3.6
121.02838	8.2
123.04431	3.4
125.02366	5.9
129.01784	6.0
131.03404	2.8
134.03572	3.0
135.00719	2.7
137.02304	11.8
139.00267	5.7
149.02354	3.6
149.04509	3.5
149.06015	4.5
151.03819	3.1
153.01802	3.6
154.99780	2.8
160.01610	3.6
161.04472	8.7
173.00815	14.2
175.03871	4.0
183.30859	2.6
187.02364	5.4
191.01868	4.5
191.05530	7.4
195.13838	8.6
241.14423	40.1
242.72458	2.6
253.07195	4.2
265.09375	3.6
265.14410	11.0
274.73779	2.8
301.10764	5.6
314.04376	2.4
415.23480	8.8
519.10950	4.0
519.24976	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	519.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30208	0.1
59.01244	0.4
59.69054	0.1
60.47678	0.1
61.98700	100.0
62.98404	0.2
67.44617	0.1
71.52638	0.1
73.02798	0.1
73.03833	0.1
94.28140	0.1
107.82438	0.1
113.89716	0.1
154.70209	0.1
202.45381	0.1
245.70227	0.1
359.38104	0.1
459.24081	0.2
461.29468	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	519.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	10.4
71.01250	6.9
72.99160	1.4
73.02817	2.0
73.97940	0.4
83.01240	0.4
85.02814	2.7
87.00758	0.8
89.02322	4.9
91.01759	0.5
93.03322	0.8
98.19810	1.6
101.02321	5.0
111.00823	0.5
113.02316	2.4
119.01259	2.7
119.03377	2.0
121.02862	2.5
133.04964	1.1
134.03539	0.5
134.52361	0.5
135.04431	0.8
135.77498	0.4
143.03380	0.4
147.00755	1.7
147.04413	2.0
149.02347	17.5
150.02686	0.4
151.06007	5.5
152.01118	0.9
163.03870	2.4
164.04698	19.0
165.01817	1.0
165.05223	0.9
169.04956	0.4
171.56355	0.4
175.00269	18.8
175.06071	0.6
176.00774	0.9
177.01857	0.5
179.05615	0.8
179.07011	3.0
181.04938	0.5
188.04749	0.4
190.02637	50.4
191.03304	3.6
193.01347	0.8
199.48819	0.4
203.07051	1.2
205.04994	68.7
206.05602	5.8
207.02791	0.6
207.06444	0.8
208.03716	2.0
209.04523	0.9
221.08080	5.0
222.05400	0.7
223.06061	55.4
224.06416	2.6
231.54544	0.4
235.02409	0.6
236.03647	0.5
237.07639	3.2
241.14401	0.6
243.02946	0.9
250.04823	1.5
252.64110	0.6
265.07150	28.7
266.07495	1.3
271.02383	0.5
295.08020	4.4
313.11160	1.5
314.04532	0.6
325.09210	6.7
352.74698	0.5
367.10440	2.4
385.11368	2.5
519.17175	100.0
520.17456	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	519.1143
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.49422	0.4
57.92723	0.4
59.01254	3.0
61.98735	0.4
63.40439	0.4
64.69581	0.4
69.41656	0.9
69.42062	2.8
71.01266	1.3
75.70463	0.5
83.01271	0.8
101.03857	0.7
107.01279	1.8
113.02287	0.4
119.04932	0.6
121.02909	0.5
131.62433	0.5
143.04926	0.6
145.02914	1.0
151.00288	4.8
155.04890	0.9
159.04320	0.6
163.00357	0.6
167.04860	0.7
171.04347	0.9
183.04393	2.5
187.03885	1.1
199.03925	8.1
203.03436	0.8
210.86363	0.4
211.04015	1.1
215.03432	2.8
227.03432	7.1
228.03922	0.6
242.02203	2.9
243.02943	30.0
244.03416	2.1
254.02197	0.7
255.02951	16.1
256.03479	1.3
257.04559	3.5
270.01666	2.8
271.02457	45.3
272.02936	4.1
285.04004	7.9
286.04950	2.7
287.05573	1.1
299.01944	66.4
300.02679	22.6
301.03192	1.4
314.04300	59.1
315.05078	100.0
316.05432	6.1
357.06033	1.1
519.11371	60.8
520.11731	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	518.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15070	0.2
53.45189	0.2
61.30450	0.2
62.96275	0.5
65.01825	0.3
66.24343	0.2
78.95769	47.1
96.96831	5.8
98.20181	1.8
150.97929	1.6
152.99481	100.0
153.99852	0.9
171.00554	4.0
172.87073	0.2
190.62743	0.3
271.04300	0.3
277.21796	0.6
285.06424	0.3
400.97632	0.3
431.21967	21.0
432.22223	2.0
518.25085	3.2
518.32471	0.3
519.25391	0.4
528.13385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.8
61.03278	0.3
61.98702	100.0
71.39613	0.6
78.95766	0.5
103.97178	0.3
109.49238	0.3
115.72106	0.3
126.66310	0.4
138.51532	0.3
187.97591	0.4
225.04384	0.4
227.02011	0.4
233.11746	0.9
270.04178	1.1
271.04663	0.4
286.06998	0.5
397.48672	0.4
416.19748	0.4
500.15936	0.4
518.32391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79226	1.3
55.01766	1.6
57.03312	2.1
58.00450	1.8
58.16455	1.3
59.01246	100.0
60.81013	1.5
62.63994	1.4
66.51364	1.3
69.28687	9.2
69.29108	4.5
71.01250	23.0
72.99167	3.1
73.02819	9.5
74.07054	1.2
75.00735	1.4
83.01254	5.9
85.02815	8.8
87.00790	2.3
87.04346	1.3
89.02287	2.7
92.83014	1.5
93.03329	2.6
95.01251	1.8
97.02847	2.4
99.00764	1.7
101.02312	11.0
103.45788	1.4
104.52979	1.4
106.04131	4.6
107.04885	2.4
108.02047	1.6
113.02326	5.9
119.04903	2.7
119.08567	1.8
124.01546	6.5
133.01596	1.9
136.69792	1.2
142.02646	1.6
143.04900	3.2
157.06480	3.0
159.08026	3.6
163.97133	1.6
166.49139	1.5
173.06076	1.5
173.09657	1.8
184.05128	1.6
201.05585	1.9
203.07118	1.7
210.05569	9.5
213.01498	1.3
225.12825	8.6
227.14374	7.3
243.13849	7.1
266.76126	1.5
269.11749	7.5
271.13397	8.1
278.11926	1.4
280.13397	24.6
287.12833	9.9
296.12766	2.3
298.14569	1.4
314.14063	1.7
315.08505	1.7
387.17834	1.8
405.19196	2.4
413.16034	4.3
429.19312	1.9
431.17010	51.1
432.17432	4.7
440.16864	3.3
449.18143	15.6
450.18643	2.1
458.18338	13.2
473.18130	58.7
474.18326	6.0
476.19366	4.4
491.19308	13.6
500.19220	98.7
501.19467	11.6
518.20789	11.0
519.21338	2.1
519.29370	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	517.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
70.75770	1.9
71.01239	0.8
72.55903	0.8
97.49641	0.8
220.24614	0.8
253.09251	1.6
281.24857	14.6
282.25021	1.2
338.06903	0.9
470.39624	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	9.5
60.01581	1.6
61.01680	1.7
61.98700	100.0
68.21560	0.8
71.52355	1.2
72.61311	0.7
311.26135	0.9
517.33337	1.5
518.33820	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55363	0.3
57.03298	0.3
59.01250	100.0
60.01583	0.9
61.80542	0.3
61.98698	0.7
65.00179	0.6
69.21227	2.0
69.21649	1.0
71.01248	4.1
73.02827	2.7
73.59356	0.3
75.00775	0.3
77.03843	0.3
79.01755	0.5
83.01253	1.7
85.02824	1.5
87.00745	0.4
89.02300	2.0
93.03343	0.7
95.01262	0.5
95.04881	0.4
97.02887	0.4
98.20593	0.7
101.02323	4.4
103.03902	0.5
107.01267	0.6
108.02087	0.4
112.11561	0.3
113.02328	2.8
115.39314	0.3
116.92738	0.5
119.03491	0.5
119.04913	6.5
121.02824	1.2
122.03596	0.3
123.04401	0.3
125.05963	1.5
135.00768	0.7
136.01569	2.9
143.03407	0.7
149.04422	0.7
149.05936	0.8
161.04457	1.7
163.00252	1.3
163.03879	0.5
164.01053	0.9
165.01839	2.4
165.05547	0.3
167.07074	0.6
174.52811	0.3
179.05551	0.4
187.03891	0.3
191.03372	0.8
191.07018	0.6
193.04922	0.5
207.13762	0.3
207.39966	0.4
217.05003	1.1
222.32166	0.3
233.77657	0.3
235.06094	4.0
236.06390	0.3
241.08530	0.4
253.17964	0.4
266.09521	0.4
278.62946	0.3
283.05930	0.8
285.07666	1.5
311.22876	0.3
337.10629	1.0
355.11862	16.5
356.12198	2.1
397.22458	1.7
415.23267	1.7
457.24323	1.6
458.24869	0.4
517.16919	14.5
518.17487	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	517.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
59.41339	1.6
61.98687	2.1
63.58804	1.6
70.67817	4.0
76.62286	1.5
110.46808	1.5
123.58427	1.5
129.53114	1.7
153.68156	1.7
186.07944	1.7
196.72963	1.8
201.05542	2.6
202.36449	1.9
203.06271	1.8
397.22723	1.8
485.28085	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	517.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01569	1.3
69.76235	2.1
69.76650	3.9
98.20475	1.5
102.53864	1.2
105.05965	1.0
183.97247	1.0
186.70207	1.1
203.62621	0.9
281.24796	6.9
336.00433	1.1
336.20493	1.0
495.26309	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
59.78436	0.3
60.01591	0.8
67.11090	0.3
71.15115	0.4
71.15437	0.3
89.52602	0.3
157.50281	0.3
199.75040	0.2
270.40894	0.3
277.65509	0.3
296.17770	0.3
458.49658	0.3
517.39429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70067	0.6
57.03334	0.9
59.01248	97.2
60.01604	0.7
61.98698	0.8
71.01263	13.4
72.99200	0.8
73.02818	12.8
76.05987	0.6
83.01266	3.1
85.02827	2.9
85.75291	0.6
87.00761	0.9
89.02333	4.0
99.00729	0.7
101.02326	8.7
103.03896	0.9
104.64446	0.7
108.02100	0.7
111.68804	0.6
112.25677	0.7
113.02322	3.5
119.03434	0.7
121.02852	1.3
134.64928	0.8
143.03412	0.9
145.02859	8.2
146.03607	1.1
149.04359	0.9
152.86488	0.8
161.02336	1.6
161.04478	2.8
173.02330	2.7
174.03130	33.0
175.03561	1.1
175.22668	0.7
178.02637	1.0
205.04881	0.8
206.02118	17.9
213.05475	2.1
214.06276	1.9
227.07205	2.2
227.94926	0.8
228.07831	2.0
253.18120	0.9
295.13385	31.0
296.13708	2.3
297.14935	65.7
298.15271	5.5
313.14520	1.4
334.85855	0.8
397.22366	1.8
415.23123	2.1
457.18381	1.3
457.23752	1.3
475.19760	9.3
476.20334	1.2
505.90076	0.8
517.20758	100.0
518.20959	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	517.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
59.01249	100.0
60.01590	1.0
61.98703	3.6
69.23981	4.8
71.01254	9.7
73.02814	6.7
77.29717	0.5
78.54731	0.4
81.32320	0.5
83.01273	1.8
85.02813	2.6
87.00777	1.3
88.80030	0.4
89.02303	3.8
90.06544	0.5
95.01266	0.9
98.19750	0.9
99.00764	0.7
101.02326	8.8
102.65675	0.6
108.02045	0.5
113.02332	6.7
119.03436	1.6
119.04855	0.5
125.02420	0.9
131.03394	0.9
143.03467	0.8
149.04498	0.9
161.04442	4.2
163.03943	0.8
167.23752	0.5
169.00087	0.5
174.03180	1.3
190.02586	0.5
198.48462	0.5
206.02251	0.7
269.04669	0.7
297.14905	3.8
306.07687	0.5
309.19412	0.5
313.14560	1.2
397.11765	0.5
397.22363	1.9
415.23520	1.3
457.24493	0.6
475.19415	2.8
517.21161	11.0
517.30225	1.6
518.21429	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37410	0.7
56.84219	0.6
59.01251	100.0
60.01589	1.7
63.11996	0.7
71.01259	7.8
73.02825	4.9
83.01270	1.6
85.02836	2.5
86.63186	0.6
89.02302	4.4
98.20741	1.0
101.02318	8.5
108.02096	0.6
111.78014	0.6
113.02335	8.5
113.03066	0.7
113.23342	0.7
119.03429	1.5
125.02385	0.7
161.04494	2.6
180.58171	0.7
240.35710	0.6
301.59280	0.7
334.91049	0.6
350.57434	0.6
397.22333	7.6
398.22894	0.7
407.69534	0.7
415.23566	2.3
417.35019	0.6
420.57440	0.8
457.24451	2.2
469.79056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2077
Annotation	Khayalactol
Peak:m/z	Relative Intensity
50.56743	0.3
56.53822	0.2
57.03293	0.3
59.01246	27.8
69.03309	0.3
69.27113	2.9
71.01254	6.7
72.99172	0.4
73.02814	6.5
75.00739	0.3
80.31491	0.3
83.01250	1.4
85.02803	1.3
87.00729	1.1
89.02300	1.9
89.17004	0.3
91.42384	0.3
95.01263	0.5
97.06509	0.3
99.00739	0.9
101.02320	4.8
108.02005	0.5
108.49393	0.3
113.02332	2.0
119.03385	0.9
119.04872	0.4
121.02843	0.6
130.04190	0.4
145.02846	3.8
146.03575	0.5
161.02318	0.4
161.04393	0.7
173.02332	1.7
174.03127	17.6
175.03510	1.0
178.02583	0.7
183.08051	0.7
187.03857	0.5
206.02127	8.9
207.02512	0.4
213.05498	2.5
214.06248	0.4
227.07069	1.9
228.07799	1.0
237.52057	0.3
240.69630	0.4
241.08698	0.5
243.13857	0.4
253.18065	0.3
295.13318	5.6
296.13571	0.4
297.14926	29.2
298.15195	2.6
300.82144	0.3
313.06940	0.3
313.14444	6.0
314.14273	0.6
314.67194	0.3
355.15616	0.4
397.22452	0.3
457.18640	7.2
457.24481	1.0
458.18896	0.8
475.19699	24.0
476.19989	3.2
491.19318	0.8
500.19171	0.5
517.20734	100.0
518.21045	13.1
518.28967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76876	1.2
57.76327	1.2
59.01240	7.2
61.25343	1.2
61.98689	8.5
62.67079	1.4
66.87586	1.2
71.52499	1.8
83.02738	1.3
92.04930	25.9
101.06006	1.3
109.31854	1.3
110.11227	1.3
118.02866	1.6
120.04444	6.8
121.02895	1.7
146.02357	14.2
148.03938	56.1
149.04221	2.9
160.03986	1.4
170.05981	1.8
182.06000	2.6
186.05478	2.9
198.05511	4.8
214.05032	4.2
226.04994	2.9
227.02158	8.3
228.02974	8.7
240.02979	2.2
241.03796	3.1
242.04535	38.4
252.03094	2.3
254.04210	1.4
255.01723	21.7
255.05266	4.9
256.02487	17.2
256.05951	1.8
259.56857	1.4
267.05356	4.2
268.02548	2.6
268.05981	1.4
269.03217	9.1
270.04056	76.8
270.07156	2.6
271.04776	17.7
284.05618	9.0
285.06400	29.3
286.07132	17.7
338.06757	8.2
353.08984	10.1
368.11349	100.0
369.11523	7.2
429.10699	2.0
457.29562	1.6
465.48526	1.4
475.30844	4.4
482.14703	1.4
487.11218	1.6
517.16193	53.0
517.31854	4.1
518.16418	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	517.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
55.54642	0.4
56.00742	0.4
58.00491	0.5
59.01250	31.2
61.98695	0.5
69.24677	1.7
69.25097	3.0
71.01247	11.1
72.99169	0.7
73.02814	13.1
73.03199	1.0
75.00741	0.6
78.03348	0.7
83.01257	3.6
85.02844	2.7
87.00757	0.9
89.02322	1.6
94.12909	0.5
95.01225	0.7
98.20506	1.0
101.02321	6.7
102.88400	0.5
104.04937	2.8
106.06504	8.8
107.04932	0.4
108.08067	15.7
111.00698	0.6
113.02363	2.2
118.06524	0.7
119.04906	0.6
119.68630	0.5
120.08075	0.5
125.02329	0.7
132.04411	0.5
134.06004	1.7
134.93428	0.4
135.48145	0.5
137.02408	0.5
147.03233	0.6
148.03943	42.1
149.04268	0.8
152.07060	7.8
159.61360	0.5
160.02576	0.8
160.03940	25.7
161.04726	30.0
162.05527	5.6
164.03453	1.5
166.08624	3.3
174.05482	1.6
175.02658	1.6
183.13750	0.7
192.02898	3.3
193.03714	12.8
194.08217	0.6
210.05562	0.9
212.07008	0.6
214.40250	0.6
218.40167	0.5
223.04707	0.5
235.17155	0.7
237.06630	0.7
240.10327	2.4
241.10428	0.4
242.11885	2.7
267.11362	6.1
268.09741	1.6
269.12936	69.6
270.13321	4.7
295.10855	73.4
296.11212	4.7
313.11932	58.1
314.12213	3.7
333.62299	0.5
355.12997	10.5
413.35269	0.5
414.23166	0.6
457.16214	3.1
475.17188	4.3
475.28366	0.6
517.18225	100.0
518.18640	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	517.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	15.3
61.98700	10.5
71.52493	3.5
76.30595	1.9
79.63201	1.7
92.04922	24.8
118.02876	3.1
120.04440	6.8
121.02805	2.3
146.02390	15.9
148.03947	63.4
160.92874	1.9
170.06079	2.0
182.06059	3.8
186.05447	2.3
198.05522	4.8
199.02673	3.0
214.05026	3.4
224.03337	2.6
227.02240	10.6
228.03015	9.5
240.02820	2.1
241.03717	4.6
242.04558	33.3
252.03061	2.1
255.01682	17.7
255.05331	3.4
256.02426	15.8
267.05188	3.1
268.02841	2.4
269.03210	9.0
270.04062	76.1
271.04807	20.3
272.05426	2.3
284.05649	12.1
285.06375	25.0
286.07169	20.6
336.74213	2.0
338.06708	7.2
353.09039	12.7
368.11362	100.0
369.11478	10.9
390.12167	1.9
457.29410	3.5
475.30722	12.8
516.29956	2.1
517.16125	63.2
517.31592	8.6
518.16663	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	516.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72303	0.4
59.01249	39.1
59.81124	0.4
60.01581	0.6
73.02814	0.7
76.15629	0.4
78.99287	0.4
80.52483	0.4
120.04439	55.2
121.04790	1.7
133.06438	0.6
146.05998	0.8
158.98349	0.5
160.07587	3.6
174.09207	2.7
203.08217	1.1
217.13451	0.6
229.13417	0.7
281.12927	69.6
282.13260	6.2
295.14508	11.8
296.14810	1.1
297.50693	0.4
317.16669	1.0
321.63501	0.4
362.74600	0.4
397.81711	0.4
456.22891	100.0
457.23212	12.5
517.17255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31863	0.8
61.98698	100.0
69.37070	7.2
87.82119	0.8
98.20512	1.5
106.17316	0.8
122.66290	0.9
131.12369	0.8
138.30803	0.8
141.21053	0.8
166.09546	0.8
358.12125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.4
57.03322	0.1
58.00463	0.2
59.01249	5.6
59.28800	0.1
69.03310	0.1
69.26562	0.4
69.26996	0.4
71.01251	4.0
72.99167	0.3
73.02814	0.9
75.00750	0.1
78.08910	0.1
83.01263	0.5
85.02821	1.2
85.85852	0.1
87.00739	0.7
89.02313	3.2
91.03883	0.2
95.01253	0.4
97.02818	0.2
97.51015	0.1
99.00745	0.2
99.04388	0.1
101.02321	4.1
103.03887	0.1
110.50653	0.1
112.01489	0.1
113.02324	1.8
115.03876	0.1
119.03383	0.8
119.84418	0.1
125.02361	0.2
131.03407	0.1
133.04948	0.3
143.03365	0.4
144.55359	0.1
149.04428	0.1
157.04962	0.1
161.04454	1.7
179.05490	0.5
235.08192	1.0
244.76645	0.1
253.09253	14.1
254.09590	0.5
261.22235	0.3
279.23267	100.0
280.23611	6.7
327.19940	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	0.2
57.03314	0.3
58.00458	0.2
59.01246	4.8
61.98693	0.2
68.16305	0.2
71.01250	4.3
71.52542	0.4
72.99195	0.2
73.02793	1.0
76.44638	0.2
83.01255	0.3
85.02808	0.8
87.00732	0.6
89.02297	2.8
95.01255	0.4
97.06477	0.2
101.02319	3.6
109.06428	0.2
113.02330	1.8
119.03387	0.7
141.69473	0.2
143.03380	0.2
146.47842	0.2
161.04497	1.6
174.03120	0.5
175.03920	0.4
179.05511	0.6
187.07509	0.2
201.05545	0.2
205.05072	0.3
205.08636	0.3
208.07303	0.5
219.10172	0.5
235.08186	0.7
245.08150	2.9
253.09242	13.7
254.09430	0.3
261.22183	0.4
271.13391	0.3
274.82782	0.2
277.10825	1.0
279.23260	100.0
280.23602	6.3
293.13965	0.4
327.19592	0.4
346.94705	0.2
379.17667	1.1
381.20605	0.5
393.50461	0.2
413.23273	0.6
483.27921	0.3
515.29956	1.5
516.30438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18907	0.2
58.73141	0.3
59.01248	100.0
60.01586	0.9
61.98708	0.3
64.97218	0.3
71.96326	0.2
83.04876	0.3
89.97997	0.3
98.19750	0.6
98.20431	1.4
119.79021	0.2
134.88843	0.2
151.11162	0.4
192.28152	0.3
248.60922	0.2
266.90671	0.3
293.21332	0.7
353.17502	0.4
411.21597	0.5
455.20850	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	515.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70876	1.9
52.10274	1.7
59.00954	2.7
59.01250	52.0
60.01586	2.5
61.98701	10.9
65.32404	2.1
71.01255	3.9
72.20455	1.7
73.02843	2.4
79.05372	1.9
85.02840	2.4
101.02300	3.2
101.05950	5.7
113.02312	2.7
127.19221	1.6
138.45801	1.7
139.47664	1.7
155.07292	1.7
171.10175	5.5
195.13808	4.7
198.09206	14.4
209.11818	2.6
211.39537	2.4
215.03455	3.2
223.13353	3.9
240.06671	2.0
241.06747	2.6
256.02899	2.2
275.20114	7.8
293.21210	100.0
294.21457	7.8
316.15509	7.9
393.14566	4.0
457.11130	4.1
457.17520	2.7
515.15094	5.5
515.25775	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	515.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63813	0.5
57.03324	1.1
57.76314	0.4
59.01238	1.5
59.38732	0.4
67.01749	1.4
69.53725	1.1
69.54144	2.2
70.07189	0.5
71.04882	0.8
81.03342	0.5
83.04926	0.8
87.04389	14.2
112.82906	0.5
113.00706	0.4
119.04875	0.9
128.17921	0.5
129.06999	0.9
130.04114	1.3
131.04880	0.8
135.04396	0.9
145.02866	2.7
145.06494	1.2
146.03583	1.1
147.04434	1.5
156.05690	1.4
157.06462	2.1
159.04404	2.7
161.05963	4.1
163.07578	0.5
172.05284	0.7
173.02330	1.7
173.05994	5.9
174.03145	7.6
175.03918	24.5
175.11191	6.7
176.04268	1.5
183.04529	0.6
185.02382	0.6
185.06042	1.2
187.03944	2.3
187.07526	1.7
188.04723	0.5
189.09169	0.7
201.05502	100.0
202.05836	4.8
206.02132	6.0
207.10179	1.0
213.09196	0.6
215.07060	1.8
217.05054	0.6
227.07111	3.6
227.10721	1.5
229.08727	1.6
231.10220	2.3
241.08702	0.5
245.08150	15.3
245.11871	0.8
246.08455	0.8
259.09723	12.8
260.10031	0.6
261.11285	3.1
263.09283	1.4
266.09293	0.5
267.10294	2.8
285.14990	1.6
289.10782	1.7
291.12296	0.5
295.13455	1.3
303.15976	2.6
310.15631	0.7
311.16483	2.3
337.18216	2.9
347.15015	3.2
361.16718	0.5
379.17587	1.0
381.20517	2.9
395.22256	39.9
396.22659	5.2
439.28598	0.6
483.27469	32.9
484.27979	3.8
490.97641	0.5
515.30090	10.2
515.37445	0.8
516.30505	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	515.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77673	0.9
55.09504	0.9
57.03318	6.5
58.00452	1.8
58.58436	0.9
59.01248	86.6
61.98701	1.2
65.86926	0.8
69.22044	6.4
69.22473	3.3
69.40308	0.8
71.01248	19.8
72.99164	2.2
73.02811	3.6
73.87341	0.9
83.01257	1.7
83.04897	1.5
85.02820	24.4
87.00763	3.6
87.04385	1.0
89.02307	18.2
95.01251	1.8
98.20542	2.4
99.04359	1.5
101.02324	17.2
103.03885	48.3
107.04915	1.5
109.49165	1.1
109.66855	0.8
111.05058	0.8
113.02312	8.0
119.03386	7.8
119.04890	5.8
131.03294	1.0
143.03374	2.0
145.04959	1.5
145.77112	0.8
147.08066	1.1
151.43979	1.0
161.04416	1.8
161.09560	4.9
161.13235	2.8
163.03963	5.0
163.11237	2.0
187.11256	6.1
189.09096	2.5
203.10670	2.7
205.12222	3.5
207.10100	1.3
214.82460	0.9
223.13330	12.7
224.13705	1.6
229.12202	1.2
237.07515	1.6
249.11253	2.2
265.09268	82.9
266.09601	3.3
267.12323	8.2
279.08676	1.5
307.10303	1.5
327.08554	1.2
339.14209	1.5
347.13412	1.6
369.15414	6.1
378.46420	1.0
427.19666	1.3
429.17374	6.3
453.21249	2.8
455.18848	4.5
497.20374	1.7
515.21246	100.0
516.21661	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	515.2133
Annotation	hesperadin
Peak:m/z	Relative Intensity
50.46736	0.5
55.01752	0.6
57.03316	5.3
58.00463	1.1
59.01250	49.7
67.45970	0.6
70.19773	0.6
71.01254	14.7
71.04927	0.6
71.29955	0.7
71.30298	0.7
72.99168	1.6
73.02821	1.8
83.01257	1.8
83.04873	0.8
85.02821	19.7
87.00762	3.2
89.02316	17.1
101.02325	12.2
103.03889	43.9
107.04941	1.5
113.02348	6.2
117.05486	0.8
119.03386	7.2
131.03471	0.7
135.04408	0.8
141.05566	0.6
143.03406	1.2
145.04984	1.7
161.04472	1.0
161.09595	3.0
161.13258	2.8
163.11185	1.0
179.05501	1.1
185.13193	0.9
187.11179	4.6
189.09152	2.4
205.12282	2.5
207.10178	1.6
223.13351	10.9
224.13744	0.7
231.10214	0.7
249.11299	1.3
265.09268	80.7
266.09631	2.6
267.12390	7.7
309.22244	0.9
369.15421	3.9
411.21558	3.8
427.19595	1.2
429.17654	5.3
430.17795	0.8
453.21442	1.3
455.19781	5.6
455.25955	0.9
497.20477	2.1
515.21332	100.0
516.21680	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	515.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97990	0.4
53.40744	0.4
59.01248	2.6
67.01745	0.6
69.50976	2.0
69.51384	1.0
71.01230	0.7
74.09531	0.4
83.01226	0.4
85.02761	0.5
89.02328	0.6
93.03334	2.3
98.19840	1.0
111.00743	2.9
119.04910	13.2
120.05244	0.5
121.02841	1.4
128.67143	0.4
132.05652	1.1
143.03365	0.9
143.04889	1.6
145.06464	1.3
149.02359	0.7
163.03905	4.3
164.04668	0.4
175.00304	0.7
176.01126	0.6
187.02403	0.6
190.02635	1.9
195.04396	1.4
197.09692	0.5
205.05040	2.0
209.06012	1.1
211.07506	0.6
222.06737	1.0
223.05934	0.5
223.07883	0.5
224.08307	0.4
235.07489	0.5
237.09160	8.6
238.09554	0.6
239.10695	2.1
239.12813	0.4
283.09741	12.5
284.10141	0.9
309.11920	2.6
327.08716	100.0
328.09076	5.7
336.08350	0.4
367.65811	0.4
392.04364	0.4
506.13898	0.5
515.17383	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	515.2129
Annotation	hesperadin
Peak:m/z	Relative Intensity
57.03308	4.6
58.00468	1.5
59.01246	48.4
69.37897	7.8
71.01250	14.6
73.02802	1.9
83.01247	1.7
83.04868	1.3
85.02815	19.1
86.63449	1.2
87.00741	3.4
89.02302	12.7
93.31052	1.0
95.01279	1.3
98.20624	1.9
100.74235	1.1
101.02312	13.5
103.03883	41.0
104.04208	1.0
107.04914	1.4
113.02296	5.7
118.30981	1.0
119.03329	5.6
125.02330	1.0
145.04950	1.9
161.09564	3.5
161.13232	1.8
161.28018	1.1
187.11212	5.1
189.09065	3.1
205.12303	2.9
223.13315	10.6
249.11279	2.3
261.48187	1.0
265.09271	75.1
265.77902	1.1
266.09515	3.3
267.12350	9.8
313.75391	0.9
339.14532	2.0
350.56021	1.1
369.15500	4.3
429.17767	7.5
430.18100	1.1
455.19165	6.4
485.73929	1.4
497.20276	1.6
515.21295	100.0
516.21521	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	515.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44170	0.7
55.93046	0.6
59.01242	11.8
61.98699	33.3
67.01765	1.8
68.98541	0.6
69.21016	2.8
69.21438	4.3
71.01239	2.6
72.99176	11.5
73.02806	2.4
83.01244	2.6
85.02803	4.6
89.02314	1.0
93.03336	17.1
96.99194	2.6
97.02837	0.8
98.19836	1.5
99.00761	1.3
99.04398	1.0
101.02293	1.3
107.68961	0.7
111.00760	45.9
113.02296	1.4
117.03306	1.3
119.04910	28.3
121.02804	1.4
123.04416	1.7
127.54634	0.7
129.01828	2.5
131.04903	5.1
132.05713	1.0
133.02861	3.6
133.06561	0.8
143.03365	2.7
143.04926	18.0
145.02831	1.5
145.06480	1.1
147.04434	0.9
149.02339	1.0
154.99785	6.0
163.03920	16.3
164.04630	1.3
171.04410	2.5
173.00832	14.2
187.02200	0.8
190.02611	1.0
191.03468	0.8
193.04968	0.9
195.04460	1.1
195.08069	0.7
205.03448	17.9
205.04874	0.9
206.98814	0.8
208.29193	0.7
209.06065	1.2
211.07581	3.6
219.08051	1.3
221.09837	1.1
223.05939	1.2
223.07877	0.9
235.07550	4.4
237.09175	8.8
238.09564	0.9
239.10732	3.0
247.07643	1.1
261.11441	0.7
262.03384	0.7
265.08688	23.2
269.82199	0.8
273.36609	0.7
283.09747	9.1
309.07681	6.3
309.11868	2.5
327.08710	100.0
328.09067	7.3
362.87079	0.7
413.92365	0.8
429.30927	0.7
515.18304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01131	0.2
59.01250	1.2
61.98700	100.0
69.28936	2.0
71.01260	0.4
78.07020	0.2
80.69780	0.2
83.16772	0.2
87.14059	0.2
93.03326	2.0
98.20571	0.4
102.05444	0.3
111.00758	1.3
111.37555	0.2
119.04900	4.1
121.02878	0.2
128.03412	0.2
131.04912	0.4
133.02899	0.4
143.03391	0.3
143.04961	1.9
145.02908	0.3
146.04514	0.5
153.07935	0.2
163.03925	1.7
164.04660	0.2
169.01355	0.3
171.04468	0.2
205.03432	0.3
211.07600	0.5
231.98978	0.3
235.07642	0.5
237.09192	0.9
247.07649	0.2
265.08649	2.0
283.09726	0.4
286.28769	0.2
305.64029	0.2
309.07904	0.6
327.08694	10.2
347.24191	0.2
454.33786	0.3
465.17941	0.2
514.22040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24258	0.2
59.01251	4.5
59.75332	0.3
61.98699	100.0
62.98418	0.5
67.01750	0.5
69.47493	1.5
69.47913	0.5
71.01267	1.0
72.99188	0.7
73.02819	0.9
83.01238	0.3
85.02839	1.0
93.03330	8.6
96.99184	1.1
97.02850	0.8
98.19824	0.5
99.04388	0.3
101.02302	0.5
108.02076	0.4
108.98554	0.2
110.83866	0.2
111.00760	5.5
111.01466	0.3
113.02327	0.4
116.92700	0.4
117.03378	0.9
119.04912	19.0
120.05242	0.6
121.02853	0.5
123.04427	1.1
129.01822	0.2
130.04176	0.4
131.04903	1.4
132.05711	0.5
133.02866	1.9
133.06505	0.4
135.04434	0.3
143.02365	0.4
143.03430	1.7
143.04913	7.8
144.05264	0.3
145.02888	0.9
145.06470	0.8
147.04442	0.3
154.99794	0.4
159.04402	0.5
163.03920	7.8
164.04399	0.3
169.01335	3.0
169.06641	0.3
171.04468	0.8
173.00891	1.1
175.00317	0.3
187.02441	0.8
190.02643	1.1
192.19441	0.2
195.04390	0.4
195.08179	0.5
197.09605	0.3
205.03308	1.1
205.05057	0.8
211.07596	1.6
213.60609	0.2
219.08147	0.4
221.09636	0.5
222.06781	0.5
223.07626	0.8
224.08339	0.3
235.07594	1.8
237.09180	4.7
238.09572	0.3
239.10728	3.8
250.06229	0.3
265.08670	9.3
266.09006	0.5
283.09756	4.8
309.07693	3.9
310.07953	0.3
327.08713	61.5
328.09088	3.9
352.55527	0.3
454.33768	0.3
515.17230	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
57.03294	0.2
58.00447	0.2
59.01246	6.1
60.31823	0.1
68.99639	0.1
69.03305	0.1
69.27231	0.8
71.01248	4.2
72.01562	0.1
72.99146	0.1
73.02462	0.1
73.02814	1.1
77.30453	0.1
78.16854	0.1
83.01258	0.6
83.04887	0.1
85.02808	1.1
86.35699	0.1
87.00730	0.5
89.02312	3.2
91.03864	0.2
95.01232	0.3
97.02802	0.2
99.00703	0.2
101.02317	4.0
102.02596	0.1
103.03864	0.2
113.02326	1.8
119.03386	1.0
125.02307	0.2
127.07488	0.2
131.03349	0.1
133.04936	0.3
143.03365	0.3
157.04948	0.2
161.04453	1.6
179.05486	0.5
197.11708	0.1
233.22662	0.4
235.08138	1.2
235.10370	0.1
253.09239	15.4
254.09563	0.5
259.20676	0.4
275.20059	0.4
277.21695	100.0
278.22040	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	513.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	14.4
61.98743	0.4
64.70422	0.5
65.74196	0.6
65.91198	0.6
68.52339	0.6
70.92268	0.9
70.92596	0.6
71.01249	3.3
73.02849	1.5
74.75781	0.4
76.47363	0.4
78.50043	0.5
80.66099	0.5
83.04942	0.5
85.02809	2.8
89.02361	1.8
101.02303	2.5
103.03894	5.0
108.02133	0.6
111.04455	1.5
113.02395	1.6
119.03448	0.5
119.04957	0.8
121.02905	0.8
122.03648	0.9
125.06041	0.6
127.96010	0.5
135.04404	19.8
135.08044	0.9
147.04506	0.6
149.05972	3.6
150.06760	34.7
151.03992	0.9
151.07550	4.0
161.04550	0.6
161.05940	1.1
163.03969	2.0
163.07599	1.7
165.05525	1.0
165.09206	0.7
179.07057	1.2
182.05806	0.7
189.24937	0.5
193.05003	7.1
194.05753	15.9
194.07379	1.0
203.10680	2.9
203.14377	1.1
205.05109	1.4
221.15514	1.1
223.06075	15.8
224.06577	1.0
226.04771	36.4
227.05077	0.9
239.12801	1.5
245.11890	0.6
263.09238	1.0
265.09283	3.8
265.14502	1.9
279.15915	0.9
282.11075	11.4
283.11627	1.0
291.12497	0.8
293.04596	1.2
302.10861	0.5
333.17142	1.1
351.09286	2.4
351.18103	100.0
352.18457	6.8
356.11249	0.9
359.11481	0.8
513.14471	1.7
513.23291	20.6
514.23694	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.4
55.87053	0.1
57.03322	0.1
57.97984	0.1
58.00472	0.2
59.01245	6.7
65.17326	0.1
66.01236	0.1
69.03345	0.1
69.27437	0.9
71.01250	4.7
72.99184	0.4
73.02816	1.1
83.01231	0.6
85.02814	1.1
87.00734	0.6
89.02312	3.4
91.03892	0.2
95.01257	0.4
97.02827	0.2
99.00774	0.3
101.02315	4.9
103.03904	0.1
113.01541	0.1
113.02328	2.1
113.05981	0.1
119.03374	1.2
127.07494	0.3
131.03412	0.1
133.04900	0.2
133.80013	0.1
134.45822	0.1
143.03421	0.5
149.04539	0.1
157.04927	0.2
161.04457	1.5
179.05513	0.6
205.19542	0.1
233.22670	0.4
235.08186	1.3
249.32530	0.1
253.09254	16.2
254.09555	0.4
259.20691	0.3
275.20200	0.3
277.21698	100.0
278.22040	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	513.2129
Annotation	Nomilin
Peak:m/z	Relative Intensity
51.48809	1.4
59.01250	62.3
59.33360	1.3
61.98690	4.1
62.71560	1.4
67.01755	3.3
68.99690	19.5
69.03317	15.6
70.67095	1.4
71.01253	33.2
73.02819	3.8
83.01260	5.1
83.04881	5.3
85.02820	7.3
89.02282	2.2
93.03329	2.9
95.01268	13.8
95.04945	1.8
95.08513	2.4
97.02828	18.6
97.06460	1.8
98.19831	3.2
99.00755	10.3
101.02299	5.2
107.04858	4.1
108.02053	2.1
109.02840	5.4
109.06458	2.0
111.00776	1.8
111.04399	5.8
113.02322	4.2
119.04875	7.3
121.06509	1.8
122.03538	1.8
123.04396	1.9
127.00275	8.2
133.06454	2.9
133.10126	1.8
135.04384	6.0
135.08009	1.8
137.02284	2.4
137.05975	15.8
147.08107	1.6
149.02368	1.6
149.09578	4.5
151.03909	2.8
151.11186	20.5
161.04475	2.1
163.03935	8.2
164.04655	1.6
171.10170	1.7
195.10117	10.0
199.07587	2.1
203.10719	2.0
213.09105	2.0
215.07083	1.6
229.64389	1.5
231.10255	3.0
245.11893	1.6
247.09683	21.7
253.12236	2.1
273.11252	2.0
286.06967	1.8
307.18213	7.2
311.20142	1.7
329.21158	2.2
331.19070	4.5
337.21796	3.1
339.12405	4.3
343.19138	4.9
347.20120	3.9
351.16321	1.8
359.22067	1.6
365.21454	3.3
373.20166	29.2
374.20477	2.0
381.20587	9.3
383.18448	1.9
397.20197	2.7
399.21667	9.6
409.20184	6.5
415.21060	7.1
423.21609	7.4
425.19632	5.2
427.21225	59.8
428.21387	2.8
441.22818	4.8
453.19318	1.9
469.22296	38.9
469.28589	3.1
470.22659	3.7
471.20285	9.1
485.21899	24.1
486.22415	2.6
513.21222	100.0
513.29944	12.2
514.21631	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	513.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80584	1.7
55.87373	1.5
59.01247	100.0
61.98713	12.5
67.01747	2.4
69.03300	3.9
70.00008	7.0
71.01250	5.3
71.31876	1.6
72.99200	2.0
80.91253	1.6
83.04925	1.9
85.02818	5.0
85.44363	1.6
89.02311	3.6
89.37064	1.8
95.01241	2.3
95.04881	2.3
97.02825	3.9
101.02325	5.3
108.02087	1.5
113.02312	6.2
119.03413	2.0
119.04915	2.4
124.01496	2.3
147.04434	1.9
151.11200	4.0
161.04292	1.8
165.12776	11.7
171.10120	3.3
185.02342	3.3
195.10320	2.3
209.11781	4.9
210.12115	3.1
211.13342	3.0
217.15952	2.0
225.11281	2.1
229.91791	1.6
247.20633	2.8
270.07693	2.2
273.18567	4.4
287.15698	1.8
291.19638	76.4
292.19955	5.0
333.20831	2.9
351.08609	6.8
383.22202	4.5
427.21341	3.4
505.86432	2.2
513.21240	18.6
513.28326	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	513.2124
Annotation	3,7,4'-Trihydroxy-3'-(8''-acetoxy-7''-methyloctyl)-5,6-dimethoxyflavone
Peak:m/z	Relative Intensity
57.46980	0.7
59.01247	100.0
61.98709	1.8
63.28588	0.6
69.03316	1.0
69.70650	0.6
70.05254	0.6
71.07748	1.2
83.04895	0.7
91.72581	0.6
92.55696	0.6
97.02824	0.9
111.04472	0.7
151.11137	0.9
241.55199	0.7
255.81889	0.6
309.09116	0.6
383.22247	1.5
392.75125	0.7
422.93787	0.7
427.21143	1.0
471.20169	1.5
475.40872	0.8
513.21338	7.9
514.21216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48809	1.4
59.01250	62.3
59.33360	1.3
61.98690	4.1
62.71560	1.4
67.01755	3.3
68.99690	19.5
69.03317	15.6
70.67095	1.4
71.01253	33.2
73.02819	3.8
83.01260	5.1
83.04881	5.3
85.02820	7.3
89.02282	2.2
93.03329	2.9
95.01268	13.8
95.04945	1.8
95.08513	2.4
97.02828	18.6
97.06460	1.8
98.19831	3.2
99.00755	10.3
101.02299	5.2
107.04858	4.1
108.02053	2.1
109.02840	5.4
109.06458	2.0
111.00776	1.8
111.04399	5.8
113.02322	4.2
119.04875	7.3
121.06509	1.8
122.03538	1.8
123.04396	1.9
127.00275	8.2
133.06454	2.9
133.10126	1.8
135.04384	6.0
135.08009	1.8
137.02284	2.4
137.05975	15.8
147.08107	1.6
149.02368	1.6
149.09578	4.5
151.03909	2.8
151.11186	20.5
161.04475	2.1
163.03935	8.2
164.04655	1.6
171.10170	1.7
195.10117	10.0
199.07587	2.1
203.10719	2.0
213.09105	2.0
215.07083	1.6
229.64389	1.5
231.10255	3.0
245.11893	1.6
247.09683	21.7
253.12236	2.1
273.11252	2.0
286.06967	1.8
307.18213	7.2
311.20142	1.7
329.21158	2.2
331.19070	4.5
337.21796	3.1
339.12405	4.3
343.19138	4.9
347.20120	3.9
351.16321	1.8
359.22067	1.6
365.21454	3.3
373.20166	29.2
374.20477	2.0
381.20587	9.3
383.18448	1.9
397.20197	2.7
399.21667	9.6
409.20184	6.5
415.21060	7.1
423.21609	7.4
425.19632	5.2
427.21225	59.8
428.21387	2.8
441.22818	4.8
453.19318	1.9
469.22296	38.9
469.28589	3.1
470.22659	3.7
471.20285	9.1
485.21899	24.1
486.22415	2.6
513.21222	100.0
513.29944	12.2
514.21631	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	513.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.03318	1.0
59.01247	100.0
60.01585	0.8
61.98704	0.5
64.65498	0.3
65.03835	0.6
67.01764	3.4
68.99714	0.5
69.03318	0.7
70.40443	0.3
71.01257	0.7
72.99176	0.8
73.02824	0.5
79.05386	0.6
81.03350	1.1
83.01277	0.3
83.04891	4.1
85.02815	10.1
85.18285	0.3
86.03152	0.3
91.05401	3.4
93.03368	0.4
95.01275	1.0
97.02868	0.3
97.06453	0.4
98.19849	0.8
99.04410	0.5
101.05959	0.4
101.97397	0.3
106.04151	0.4
107.04945	0.8
109.02865	0.4
109.06475	0.5
111.00744	3.4
117.07027	0.4
119.04929	0.5
121.06470	2.1
129.06964	0.4
131.04985	0.3
131.08539	1.9
133.06499	0.8
134.03629	0.5
135.04398	0.3
135.08054	0.6
138.50284	0.3
139.63332	0.3
143.04912	0.4
143.08514	0.5
145.06503	0.6
145.10141	0.7
147.04375	0.8
147.08118	0.5
148.05208	0.6
149.06021	0.7
157.06421	0.4
157.10155	0.5
159.08031	0.3
159.11539	0.3
161.09514	0.3
163.03902	0.3
169.10181	0.3
170.07224	0.4
171.08109	0.6
171.11684	0.4
173.09610	0.7
175.07561	1.0
181.10155	0.5
183.08089	0.6
185.05986	0.3
185.09651	0.8
187.11200	0.6
191.03368	0.6
197.09621	0.8
197.13185	0.3
199.07558	0.4
199.11169	0.8
201.12816	0.6
203.10648	0.3
205.08545	0.6
209.09674	0.7
209.13351	0.7
211.11221	2.0
211.13208	0.6
211.15056	0.4
213.12830	0.7
215.14339	0.8
215.78275	0.4
221.09654	0.4
223.11203	0.5
225.12801	1.3
227.14360	4.0
229.12166	0.4
229.15929	0.3
233.15462	0.3
235.11299	0.6
237.12842	0.7
239.10760	0.6
239.14445	0.4
243.13916	1.6
245.15469	1.0
251.14389	1.1
253.12325	1.2
255.13882	0.7
257.11765	0.4
263.10916	0.4
263.14523	0.3
269.15479	0.8
271.13446	0.6
271.16974	0.3
273.14960	0.5
279.14136	0.4
295.10385	0.4
295.13287	2.1
305.15335	0.3
307.13385	0.8
307.16919	0.5
313.14520	0.5
313.18146	0.3
315.15939	0.7
321.15079	0.5
333.15030	1.0
335.12857	1.7
337.14371	2.7
341.17471	4.8
342.17822	0.4
347.16492	0.9
349.14374	2.7
351.15985	4.7
352.16418	0.5
359.13181	0.4
367.19659	0.4
369.17163	1.0
375.15912	1.0
377.13779	0.7
391.19473	0.6
393.17166	3.1
395.14951	40.4
396.15277	4.6
411.18237	0.7
413.16031	2.2
437.16290	0.5
453.19122	0.4
455.17068	38.5
456.17462	4.3
495.20346	1.0
513.21277	4.2
514.21960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15481	0.5
59.01250	15.3
61.98704	10.9
63.96103	0.8
65.93571	0.5
68.46344	0.5
68.99683	0.5
69.03314	1.1
71.01254	7.7
71.52502	0.5
73.02814	2.3
75.00719	0.6
78.98457	3.9
79.95606	6.3
80.96387	48.9
81.03324	1.0
83.01244	1.9
85.02826	4.2
87.00740	2.5
88.94847	0.6
89.02305	1.7
94.97953	12.0
95.01276	4.0
97.02827	1.4
99.00748	1.4
101.02326	5.1
103.03885	0.9
106.97957	2.2
107.04918	0.9
111.00769	2.4
113.02317	3.6
119.03387	0.6
119.04890	1.4
121.02851	1.1
122.97472	4.3
125.02335	3.5
127.03887	0.5
134.97462	4.0
135.04396	0.7
136.99010	1.2
137.02298	0.6
139.00256	3.1
148.99042	4.5
151.03883	0.6
152.98549	5.5
161.09601	0.5
163.03911	1.1
164.98543	10.1
167.00056	0.6
180.04192	0.7
182.99631	2.4
183.13792	1.2
187.11235	0.8
195.06512	0.6
195.13765	0.6
205.05081	0.9
205.12186	0.6
206.99643	3.1
213.14964	3.0
225.00690	17.0
226.01039	0.6
243.01828	1.3
265.09241	1.5
269.04437	0.7
299.04431	3.2
315.50546	0.5
351.08716	2.7
451.16397	0.7
469.17245	1.5
476.93066	0.6
513.20038	100.0
514.20239	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	513.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02482	0.9
57.02480	1.0
57.03317	4.9
59.01248	100.0
67.01762	3.5
69.03314	2.9
70.39149	2.9
71.01238	1.2
71.04899	1.3
78.95789	1.5
81.03332	1.7
83.04858	1.5
83.80850	0.9
85.02814	4.1
86.00785	0.9
91.67168	0.9
95.01254	2.0
95.04891	6.4
97.02835	1.2
99.04342	1.1
101.05974	1.7
107.04859	1.5
109.02834	1.7
113.05931	2.5
119.04868	1.5
135.04407	1.0
143.08574	1.3
147.08060	1.1
155.08606	1.0
157.10144	2.0
158.07281	3.1
158.77881	1.0
159.08110	1.7
162.06747	1.0
169.10052	1.3
171.08128	1.3
172.05205	1.4
173.13274	3.0
181.10156	5.3
183.08171	1.4
185.09677	1.4
187.11179	4.6
189.12738	5.4
195.08057	1.2
197.09659	2.3
199.11214	21.1
200.11603	1.4
203.10695	1.4
209.09900	1.1
211.11256	1.1
211.13255	2.6
212.56436	0.9
213.09030	1.7
217.12259	4.4
221.09572	2.2
223.11009	1.0
225.12849	1.6
227.14363	2.6
229.15889	1.8
233.09642	3.1
235.11182	1.7
237.12733	2.1
239.10677	1.1
251.10681	2.1
253.12259	1.7
255.13745	1.3
265.12192	1.0
277.08643	2.8
277.15778	5.7
280.10974	4.7
281.08289	1.2
281.11670	2.8
282.12231	1.2
285.15009	1.6
287.20172	2.2
295.09845	6.1
295.13342	51.6
295.16772	2.5
296.13666	3.9
297.14923	2.1
299.12799	2.8
303.19623	1.3
307.13391	3.0
309.11270	5.4
310.12076	32.5
311.12445	5.1
312.86017	1.0
313.14417	13.5
314.14856	1.9
321.15021	8.9
323.16559	2.1
325.14481	1.1
331.19101	23.1
332.19403	2.9
333.14899	10.6
336.13519	1.4
349.14365	1.4
351.16000	64.8
352.16422	6.6
373.18048	1.6
381.20703	3.0
391.19089	9.2
392.19641	1.2
395.14981	1.5
409.20193	44.5
410.20453	4.3
427.21277	9.1
469.22369	5.1
471.20261	1.9
513.21295	20.9
513.29065	1.5
514.21362	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03584	0.5
51.39211	0.5
53.68911	0.5
59.01232	1.7
61.98700	0.5
65.03830	0.6
67.01775	0.9
69.03332	0.6
69.61176	0.5
71.01249	1.4
85.02812	1.2
87.00732	0.9
87.04384	4.0
93.03335	0.7
98.20580	1.2
108.02052	3.2
109.02842	12.4
110.03222	0.5
113.02367	0.7
116.89959	0.5
121.02832	17.2
122.03627	27.0
123.04440	1.3
123.08018	2.2
125.02384	0.6
133.02863	0.6
134.03601	1.1
135.04425	2.0
135.08035	1.1
136.99031	1.0
137.02357	1.0
147.11685	1.2
149.02339	5.3
150.03139	7.4
151.03793	0.6
151.30998	0.5
161.02348	1.9
163.03902	1.8
163.07513	0.9
173.09540	1.0
175.07651	0.9
182.02141	1.3
189.05441	1.1
191.10696	33.7
192.10922	0.8
203.08925	1.1
203.10693	8.2
219.10187	1.9
221.11772	2.3
235.13370	1.2
243.13895	1.0
259.47336	0.5
261.14963	4.8
279.16003	100.0
280.16339	5.3
305.13956	2.0
306.14236	1.0
307.15491	90.7
308.15839	5.7
316.66580	0.6
317.13516	0.7
333.13342	1.1
340.92184	0.6
351.14423	12.2
352.14774	1.5
393.15622	0.6
513.19757	47.5
514.20062	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	513.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	4.4
59.01250	25.6
61.98697	1.6
69.34364	8.3
69.34772	2.3
71.01250	16.5
72.99174	1.9
83.01244	1.5
85.02818	18.0
87.00753	2.0
89.02322	12.6
93.03329	1.9
98.19723	2.2
101.02343	10.8
103.03893	31.2
106.04118	3.2
108.02038	1.9
109.02838	1.5
111.00775	1.6
113.02328	6.9
117.05502	1.7
119.03374	6.4
119.04875	2.0
137.02344	1.5
143.03310	1.3
143.04951	1.8
147.08058	13.1
149.02390	1.4
152.01060	2.2
161.04472	1.3
163.03831	1.2
164.04843	1.2
173.09657	13.5
175.00327	1.6
175.07603	1.9
183.08160	1.8
190.06265	1.7
191.01987	1.7
191.07047	11.7
203.10789	1.6
205.05066	3.1
217.08693	10.6
233.08194	5.3
247.09782	9.2
259.09741	5.3
265.09021	69.4
266.09702	3.8
289.10858	4.3
307.11887	20.2
314.24500	1.1
337.13065	3.3
367.13998	8.1
469.17410	2.2
495.18484	5.8
513.19830	100.0
514.20300	8.9
515.54114	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	4.4
59.01250	25.6
61.98697	1.6
69.34364	8.3
69.34772	2.3
71.01250	16.5
72.99174	1.9
83.01244	1.5
85.02818	18.0
87.00753	2.0
89.02322	12.6
93.03329	1.9
98.19723	2.2
101.02343	10.8
103.03893	31.2
106.04118	3.2
108.02038	1.9
109.02838	1.5
111.00775	1.6
113.02328	6.9
117.05502	1.7
119.03374	6.4
119.04875	2.0
137.02344	1.5
143.03310	1.3
143.04951	1.8
147.08058	13.1
149.02390	1.4
152.01060	2.2
161.04472	1.3
163.03831	1.2
164.04843	1.2
173.09657	13.5
175.00327	1.6
175.07603	1.9
183.08160	1.8
190.06265	1.7
191.01987	1.7
191.07047	11.7
203.10789	1.6
205.05066	3.1
217.08693	10.6
233.08194	5.3
247.09782	9.2
259.09741	5.3
265.09021	69.4
266.09702	3.8
289.10858	4.3
307.11887	20.2
314.24500	1.1
337.13065	3.3
367.13998	8.1
469.17410	2.2
495.18484	5.8
513.19830	100.0
514.20300	8.9
515.54114	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83247	1.1
50.91089	1.0
58.27058	1.0
59.01248	12.9
59.07957	1.1
61.98713	2.5
65.17184	1.1
69.18730	12.7
71.01226	2.9
81.03355	1.0
85.02819	3.3
93.03326	4.0
98.19837	2.6
101.05930	3.2
119.04920	1.3
121.02886	1.7
123.04330	1.2
132.02078	2.3
157.06546	2.2
159.04475	1.3
171.10097	2.3
171.34200	1.0
173.05998	4.2
185.05933	3.7
187.03961	1.4
188.04623	1.8
189.05557	1.5
195.04456	2.0
201.05449	4.0
209.11760	1.5
211.03954	2.2
211.13269	1.3
215.03444	2.0
217.05011	3.0
219.08057	1.8
219.48407	1.3
223.07622	1.5
224.04770	1.5
225.11249	1.8
229.04936	3.7
230.05862	1.5
235.07541	1.8
237.09108	1.4
239.03442	2.1
248.71417	1.4
249.09389	1.1
251.03540	1.9
263.07108	11.1
264.07816	2.0
267.02881	9.6
277.08688	4.0
279.03018	4.0
279.10181	4.9
291.06485	4.0
293.08102	2.1
295.02371	1.7
304.07346	2.1
307.06021	3.6
307.54337	1.1
321.07672	1.8
323.09244	7.1
350.07919	86.1
351.08679	100.0
352.09006	5.8
411.14346	2.1
469.21445	4.2
513.13928	86.3
513.20410	4.2
514.14203	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	513.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	1.3
59.01247	29.2
61.98733	2.1
65.00200	0.7
67.32872	0.6
70.06384	2.9
71.01244	7.6
72.99205	1.2
73.02849	2.7
83.01313	1.3
85.02856	2.4
87.00797	0.9
89.02303	3.4
93.03380	1.1
95.01310	1.1
96.95897	0.6
98.19882	0.8
101.02345	4.2
103.03921	1.4
108.02097	2.1
109.02888	0.8
113.02384	2.7
117.03334	7.4
119.03403	1.5
119.04886	3.9
125.02402	0.9
132.80154	0.7
135.04462	0.7
152.01085	1.7
159.04475	1.1
160.03899	0.7
161.02361	1.1
161.04526	0.9
161.05969	1.3
163.03941	1.7
170.95590	0.6
171.04449	1.0
173.02371	1.0
175.00366	1.8
185.06152	0.7
189.05440	1.5
203.07031	0.6
205.05066	0.8
205.71652	0.6
209.11836	0.8
215.03473	0.8
237.05670	0.9
268.03748	6.1
269.04483	1.5
270.04614	1.1
281.04614	3.6
282.05325	2.5
291.19797	0.8
293.04541	39.3
294.05081	3.6
305.08301	1.2
307.06082	1.0
314.04340	5.0
319.06070	1.0
321.07605	1.9
322.08206	0.8
323.09201	16.0
324.09485	1.0
333.07645	10.4
333.13538	0.9
350.08057	3.4
351.08694	100.0
352.09033	5.7
393.10052	1.1
450.31815	0.8
513.13855	44.3
513.20233	3.1
513.26453	1.6
514.14240	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77346	0.3
65.00195	1.1
66.83889	0.3
67.01759	1.2
69.27665	2.7
71.01237	0.3
72.99181	0.5
73.02827	1.3
83.01235	0.4
84.98043	0.3
87.68326	0.2
97.02827	3.0
99.04403	0.6
111.00769	6.0
119.04911	82.4
120.05262	2.6
135.04459	0.5
140.47591	0.3
143.03400	3.8
157.86285	0.3
163.03912	100.0
164.04236	3.2
169.01332	15.7
177.09213	0.3
187.02393	2.2
325.09241	10.0
326.09576	0.8
341.67203	0.3
364.34393	0.3
513.19128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01741	0.4
58.21634	0.3
59.01249	12.0
61.98693	0.9
65.00197	1.1
71.01251	2.8
71.52754	0.5
72.99157	0.5
73.02808	1.6
83.01250	0.6
83.04892	0.5
85.02816	1.3
89.02306	0.8
93.03334	1.4
95.01243	0.3
97.02840	0.5
101.02304	1.7
102.98487	1.5
103.03883	0.4
103.05404	0.6
105.06960	0.8
107.04910	1.6
108.02055	2.2
109.02882	0.8
113.02343	1.2
119.04903	1.8
123.04404	2.1
129.06976	1.5
131.04880	2.1
132.02080	0.7
133.02852	1.2
143.04848	0.5
145.02818	0.6
146.08235	0.3
149.04846	0.7
149.05984	8.6
152.01074	1.2
153.01430	0.5
155.04907	0.4
157.06491	0.8
159.04390	0.5
159.08107	0.4
160.03938	2.3
161.04379	1.0
161.05956	0.9
163.03928	1.2
171.04509	0.4
172.05191	0.6
173.05994	6.8
175.03926	1.1
185.06044	0.7
187.03958	0.7
189.05525	2.0
199.03899	0.8
201.05487	0.9
211.04031	0.5
215.03362	0.6
216.56142	0.3
217.05002	19.3
218.05327	0.7
219.08093	0.5
229.05106	0.8
230.05698	1.7
251.03369	0.5
251.10890	0.5
252.04166	0.9
257.04605	0.4
263.07016	1.3
265.08966	0.6
267.02823	2.0
268.03561	0.5
277.08731	1.0
279.03091	0.8
279.10181	0.9
284.00452	0.4
291.19635	0.8
292.07239	0.5
293.08197	0.4
295.09711	1.4
304.07410	0.5
305.07971	0.4
307.06342	0.6
307.09741	3.7
309.20764	0.6
321.07275	0.4
323.09213	14.7
324.09607	1.2
335.05499	0.5
349.07138	0.7
350.07925	5.6
351.08710	100.0
352.09177	6.3
363.08829	1.0
364.09470	0.7
393.09763	1.7
446.58136	0.4
512.22754	0.4
513.14398	1.0
513.22333	1.3
513.28351	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	513.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25218	0.4
50.73645	0.5
55.01757	0.4
59.01255	2.2
61.98694	1.3
62.84044	0.5
65.00193	7.3
67.01759	4.1
71.01254	2.0
71.52736	0.8
72.99181	6.2
73.02818	7.3
83.01257	4.9
85.02815	1.1
89.02319	0.7
97.02827	14.8
99.00726	1.0
99.04386	1.8
101.02303	0.6
108.02065	0.5
109.02806	0.8
111.00766	17.6
112.98680	0.6
113.37280	0.4
115.03873	0.6
119.04914	100.0
120.05257	3.2
125.02341	0.5
135.04448	1.1
136.98738	1.0
143.03404	15.4
144.49905	0.4
163.03917	88.3
164.04282	2.6
165.05563	0.6
169.01335	58.7
170.01686	1.3
176.71095	0.5
187.02422	1.4
203.15329	0.5
205.05058	0.9
217.12279	0.9
235.13393	0.6
246.54477	0.4
279.12350	1.0
289.14499	0.6
325.09518	1.0
327.23306	0.5
340.57266	0.4
473.78442	0.5
513.19458	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	511.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.9
58.00464	0.7
59.01249	34.0
61.98700	4.6
68.93590	0.7
69.82937	0.6
71.01249	16.0
71.01616	1.1
71.04897	0.9
71.53377	1.3
72.99168	1.2
73.02822	5.1
80.96397	1.8
83.01274	2.7
85.02825	15.5
85.03299	1.3
87.00761	2.0
87.04361	0.9
89.02325	8.3
90.34220	0.7
93.03325	6.7
95.01271	1.3
95.04923	1.3
97.02839	2.3
97.06495	0.8
99.04390	1.2
101.02314	11.5
103.03887	28.2
103.04551	1.6
105.06989	0.7
106.04130	1.7
107.04912	1.1
108.02071	1.6
109.02811	1.5
111.00770	1.1
113.02337	7.1
116.25706	0.8
117.05476	1.6
119.03389	3.8
119.04957	1.7
121.02842	2.6
122.03619	1.0
123.04404	1.6
123.08092	1.0
125.02322	0.9
125.05959	3.3
131.03415	1.0
133.02861	0.9
135.04430	1.8
136.05174	1.2
137.02336	13.7
137.05988	1.8
137.09621	0.7
138.06769	1.8
139.07523	2.7
143.03418	1.3
147.04497	1.0
149.02345	1.5
149.05930	0.8
150.03008	0.8
151.03973	0.9
151.07539	5.6
152.08359	1.7
153.09109	1.6
161.04494	0.9
161.06032	0.8
161.09653	0.9
163.03905	1.6
163.07585	2.3
165.09332	0.8
166.02588	1.0
167.03555	0.7
175.07547	1.2
175.11246	1.1
176.04729	0.9
179.05566	0.9
182.02208	0.7
187.11247	1.7
189.05513	1.8
189.09158	1.3
190.02634	1.4
191.07060	1.6
199.14839	0.9
201.12761	5.5
202.13147	0.9
203.10782	2.7
204.11508	4.8
205.05133	1.8
211.07671	1.2
213.12749	0.7
219.06731	0.9
219.10497	1.0
219.13861	10.1
219.79735	0.7
230.09534	0.9
235.06175	1.4
243.13857	1.6
245.11795	5.5
247.08119	1.9
249.11443	2.1
263.09131	0.6
263.10132	0.9
263.12866	8.6
263.15652	1.0
263.16574	1.1
265.09259	28.3
266.09485	1.1
269.04544	4.6
277.14520	3.1
279.10632	3.5
285.04108	1.1
287.13031	2.6
289.14435	2.1
291.12531	1.7
301.20398	0.9
305.13873	3.3
305.17502	1.7
307.15561	2.7
349.16434	7.5
350.17093	0.9
433.22641	0.9
451.23822	2.0
466.18051	2.0
469.20901	2.8
493.19412	2.7
511.21875	100.0
512.22211	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	511.2188
Annotation	gibberellin A2 O-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03316	0.6
59.01245	5.9
61.90089	0.3
61.98684	0.5
69.19480	3.6
69.19817	0.5
71.01250	2.7
72.99158	0.4
73.02821	1.0
75.00752	0.4
80.96397	0.6
83.01257	0.6
83.04871	0.4
85.02822	1.7
87.00730	0.4
87.04391	3.7
88.51490	0.3
89.02328	1.9
93.03307	0.6
95.04892	0.8
97.06454	0.4
101.02314	1.8
103.03874	2.6
105.03362	0.8
106.04127	0.9
107.04924	0.7
108.02029	0.9
109.02891	0.4
110.02372	0.3
111.00723	0.4
113.02321	1.3
119.03406	0.7
119.04911	0.7
120.01086	0.3
120.04437	0.3
121.02847	1.5
121.06474	0.3
123.04440	0.7
125.05970	1.2
135.04430	1.8
137.02296	0.7
145.06317	0.3
149.02281	0.6
149.05986	3.0
150.03108	0.4
150.06844	1.6
151.07542	18.0
152.01045	0.4
152.07877	0.5
161.02341	0.4
161.04459	0.4
162.03255	0.4
163.03828	0.4
163.07602	0.4
165.09096	0.5
166.56793	0.3
175.07556	0.5
175.11180	3.6
176.04633	0.4
177.05486	0.8
177.09085	0.4
177.12755	1.8
178.06297	0.6
187.07579	0.3
190.02702	0.8
192.07779	0.4
193.08620	1.2
193.12224	1.8
201.09116	1.5
203.10710	3.7
205.05093	0.6
205.08633	10.4
205.10468	0.6
206.09058	0.7
218.09584	0.5
219.10210	1.9
220.10991	7.4
221.11774	56.6
222.12106	2.8
229.08737	0.5
245.08131	4.5
246.08672	0.3
247.09724	9.6
248.10173	0.5
261.11246	0.4
263.09213	1.1
264.09955	0.9
265.08896	6.1
265.11478	0.3
289.14453	0.6
304.12762	0.6
305.10333	0.5
305.17542	5.5
307.15048	0.5
331.15588	5.0
332.15634	0.4
349.16531	100.0
350.16824	7.7
365.11978	0.6
367.17416	0.5
511.18784	6.5
512.18811	1.0
531.69916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60495	0.4
55.01706	0.6
56.78041	0.4
57.65459	0.5
59.01160	12.6
59.01492	2.1
69.03284	0.5
69.25719	0.9
69.26119	3.4
71.01160	9.5
73.02723	15.5
73.03178	1.5
75.13667	0.4
83.01163	3.1
85.02723	2.2
87.00654	0.6
87.04303	1.2
89.02275	1.0
93.03219	1.0
95.01180	0.9
96.99142	0.7
101.02316	6.7
103.03824	0.6
104.52337	0.5
104.60462	0.5
106.04128	4.5
107.04876	0.8
108.01977	0.9
113.02318	3.5
119.04848	0.7
121.02802	1.0
125.02237	0.6
137.02229	0.6
137.81261	0.5
138.03046	0.6
150.03035	0.8
163.07472	0.5
175.09827	0.6
175.11186	7.9
182.02008	0.6
187.11093	1.8
202.16983	0.5
203.10648	1.1
227.14340	0.6
233.15331	0.7
245.15388	0.8
257.23672	0.5
263.16418	2.1
265.09131	0.6
277.14395	1.7
289.14474	1.1
305.13892	2.1
307.15488	100.0
308.15775	8.5
321.17050	0.8
349.12878	1.1
349.16577	12.8
349.20728	0.9
350.17020	1.2
361.16382	1.0
391.17542	1.0
394.95221	0.5
451.20053	2.0
511.22098	20.2
512.22369	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2182
Annotation	gibberellin A2 O-beta-D-glucoside
Peak:m/z	Relative Intensity
51.79929	0.3
58.35511	0.3
59.01256	0.4
66.88245	0.2
81.02268	0.3
83.13305	0.3
85.06458	0.7
87.04387	2.5
92.37574	0.3
95.04900	0.3
97.06463	0.6
98.19824	1.0
109.69930	0.3
125.05943	0.8
133.10114	0.7
135.04402	1.0
147.04420	0.7
149.05977	2.7
150.06744	0.5
151.07518	0.3
161.05968	0.8
162.06783	0.6
163.07582	0.5
170.24194	0.3
175.07544	3.3
176.04669	0.6
176.08292	1.3
177.05484	0.6
177.09129	4.8
188.04713	1.2
189.05458	1.2
190.05858	0.3
202.06337	0.3
203.07085	0.8
203.10736	0.6
203.14310	0.3
204.07884	2.7
205.08669	0.9
205.12344	0.4
217.12244	1.1
219.10204	0.8
219.13768	0.5
220.11023	4.1
221.11588	0.3
227.10527	0.4
229.08604	0.6
229.12244	1.8
231.10240	6.5
233.11803	0.7
235.13367	0.8
243.43555	0.3
245.08185	1.3
246.12541	1.5
247.13362	11.4
248.13632	0.6
259.13461	0.7
261.15005	0.7
264.10056	0.8
273.11325	1.8
275.16556	1.0
287.16504	1.7
289.14462	0.7
291.12347	0.4
305.14032	0.6
305.17575	11.9
306.18100	0.9
331.15460	3.1
339.65323	0.3
349.16541	100.0
350.16888	7.4
511.21808	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	511.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21015	0.7
54.39237	0.8
57.03303	0.8
59.01249	100.0
60.01595	0.7
61.98709	2.1
67.01767	2.8
68.99689	22.7
69.03331	6.6
69.34573	2.5
69.34998	4.1
71.01250	19.5
72.99196	1.7
73.02792	0.8
78.95774	1.2
81.03320	2.6
83.01266	2.3
83.04902	2.2
84.02048	1.1
85.02821	24.7
92.04938	1.0
93.03363	2.9
95.01260	5.5
95.04893	1.7
97.02828	9.7
97.06473	1.7
99.00746	4.8
101.02351	0.9
106.04198	0.7
107.04939	2.7
108.02071	1.9
109.02840	6.4
109.06479	0.9
111.00740	1.9
111.04400	3.6
113.02321	1.6
119.04892	1.7
121.02846	2.7
121.06567	1.0
123.04428	3.4
123.08057	0.8
125.02386	1.9
125.05968	1.1
127.00238	3.5
133.06529	1.0
135.04401	8.2
136.03957	1.1
137.05988	1.5
147.04524	1.4
149.09564	1.0
151.03908	11.9
153.05421	0.9
162.03183	2.9
163.03944	7.8
164.04651	1.2
166.67966	0.8
171.10219	7.3
171.11546	1.3
175.27899	0.9
180.04192	0.8
185.09709	0.9
187.11194	1.1
193.12178	1.2
209.09856	0.9
209.11768	19.1
211.11351	0.9
211.13315	1.4
213.09203	1.2
213.12599	0.8
215.14412	1.3
221.11644	1.1
225.09285	0.9
225.14929	2.1
227.10793	1.2
227.12814	1.5
235.11319	1.6
237.09204	1.0
239.10631	0.9
247.13348	1.7
251.10764	1.3
253.12480	2.0
261.09140	1.0
261.12762	1.1
263.10870	0.9
269.15234	0.9
271.13528	1.8
275.10675	1.1
279.14008	1.5
283.13583	0.9
287.10870	1.3
287.14423	1.3
289.12604	1.0
291.17456	1.7
293.12350	0.8
293.15482	1.7
294.16367	1.2
295.13477	0.9
303.13861	1.4
305.11951	0.8
305.15378	1.9
307.13385	1.6
309.18640	2.6
319.17139	1.7
321.14896	1.2
325.14816	0.9
327.19629	9.5
328.19830	1.4
331.13419	1.1
333.15045	1.2
335.20053	1.4
339.15985	1.8
343.24826	5.3
345.18683	2.4
346.15625	1.2
349.14352	1.1
351.19611	0.8
353.17621	2.3
354.18030	0.9
363.19809	2.9
369.20712	2.0
379.19104	1.8
381.20880	1.0
407.18875	3.7
413.19507	3.3
423.17828	1.2
425.19623	4.4
439.21503	1.2
467.20721	12.1
468.21463	1.0
469.18594	7.7
469.28787	1.0
470.18842	1.3
483.20190	7.0
493.28091	1.2
511.19745	40.4
511.27002	3.0
512.20117	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	511.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72689	0.4
57.03324	1.1
59.01248	100.0
60.01575	0.9
61.98703	1.3
65.03831	0.7
67.01767	3.2
68.99686	26.8
69.03323	7.6
69.57883	0.4
69.97500	0.4
71.01251	21.8
71.04893	0.7
71.52493	0.4
71.52847	0.5
72.99192	1.8
73.02819	1.1
81.03323	2.2
83.01250	3.2
83.04895	2.6
84.02067	0.5
84.96455	0.4
85.02822	25.2
87.00764	0.7
89.02318	0.7
91.05424	0.6
93.03331	2.6
95.01266	6.4
95.04919	1.2
97.02827	10.9
97.06470	1.2
98.03152	0.5
99.00777	4.1
99.04380	0.7
100.23067	0.4
101.02341	0.9
106.04148	0.5
107.04903	3.0
108.02068	1.8
109.02842	6.3
109.06474	0.9
111.00752	1.4
111.04388	3.2
112.01507	0.7
113.02324	0.9
113.83263	0.4
119.04914	1.8
121.02846	2.4
121.06506	0.9
122.03645	1.4
123.04385	4.1
124.01514	0.7
125.02338	0.9
125.05972	1.2
127.00273	3.1
132.66801	0.4
133.06509	0.8
135.04408	8.7
135.08080	0.6
136.05070	0.5
137.02321	0.8
137.05931	2.2
139.00288	0.7
144.05728	0.5
145.02940	0.5
145.06483	0.6
147.04396	1.1
147.08086	0.8
148.01549	0.6
149.02414	0.7
149.05998	1.3
149.09561	0.5
150.03210	0.6
151.03911	13.2
152.04639	0.8
153.01900	0.5
153.05511	1.0
157.06451	0.4
157.10136	0.7
159.08086	1.0
161.04552	0.5
161.06009	0.5
161.09631	0.6
162.03134	2.9
163.03918	10.1
163.05219	0.9
163.07559	0.7
163.11240	0.6
164.04623	1.4
165.05469	1.4
169.10143	0.7
169.90320	0.4
171.08034	0.9
171.10217	3.3
171.11569	0.7
173.05981	0.9
175.03882	0.5
175.07625	0.9
175.11241	0.6
177.09000	0.4
178.02599	0.5
178.28444	0.4
179.03413	0.7
179.08629	0.4
180.04221	0.8
183.08067	0.6
184.74580	0.4
185.06046	0.6
185.09541	0.7
185.13231	0.5
187.07552	0.8
187.11182	0.6
189.09108	0.5
197.09637	1.1
199.07570	0.5
199.11259	0.5
199.14864	0.5
203.10655	0.5
203.14326	0.7
207.08237	0.5
209.05940	0.4
209.11726	5.3
209.13504	0.5
211.11320	0.8
211.13281	0.5
213.09200	1.2
213.12743	0.6
215.14461	0.8
217.16003	0.5
221.09654	1.0
223.11218	0.6
225.09143	0.8
227.10782	0.7
227.12823	1.3
229.12500	0.6
229.28255	0.5
231.08228	0.6
231.10289	1.0
233.09668	0.7
235.11229	0.9
237.09151	0.8
237.12813	0.7
237.16599	0.5
239.10779	1.1
239.14401	0.9
241.12210	0.7
247.07698	0.5
247.13461	0.6
249.09190	0.5
249.12865	0.9
251.10680	1.1
251.14484	0.7
253.12344	1.3
253.15762	0.5
255.17484	0.6
257.11810	0.6
257.15427	0.8
259.11249	0.6
261.09134	0.8
261.12692	0.9
261.15076	1.0
263.10699	0.5
265.12216	1.1
265.16098	0.4
267.10165	0.6
267.13864	0.9
267.17499	0.5
269.04446	0.5
269.15573	0.6
271.13464	1.5
275.10788	0.5
275.14557	0.6
277.12137	0.9
277.15915	0.7
279.13846	1.2
279.17300	0.6
281.11621	0.5
283.13275	1.3
283.17123	0.5
285.18677	1.0
287.10843	0.7
287.14310	0.7
289.12283	1.4
291.10501	1.0
291.14072	0.7
291.17554	1.5
293.12091	0.7
293.15469	1.6
295.13443	0.6
295.16833	0.5
297.15112	0.5
297.18445	1.0
299.12946	0.5
301.15836	0.8
303.13986	1.1
305.12021	0.8
305.15472	1.7
307.13397	1.4
307.16708	0.7
309.11499	0.4
309.15063	0.9
309.18573	3.3
315.14069	0.6
317.19131	0.7
319.13306	0.9
319.17123	1.0
321.14969	1.2
323.13141	0.6
323.16577	0.6
325.14450	0.5
327.16122	0.7
327.19699	11.9
328.19928	1.0
329.15097	0.8
331.13342	1.7
333.15048	0.7
333.18686	0.9
335.20111	2.0
337.18060	0.5
339.15970	1.6
339.19672	0.6
343.24823	1.6
345.18542	2.0
346.15613	0.6
347.12686	0.5
347.16409	1.1
348.16891	0.5
349.14432	1.3
351.19525	0.6
353.17682	2.2
353.21237	0.8
361.17896	1.1
363.16028	1.0
363.19650	2.8
367.15430	0.5
369.20547	1.5
371.18616	0.5
377.13452	0.5
379.19150	1.7
381.20834	1.0
383.18771	0.8
384.13455	0.5
389.17395	0.8
392.16251	0.5
397.20319	0.9
407.18539	4.3
413.14810	0.6
413.19696	4.7
413.42502	0.5
421.20181	0.8
423.18073	1.3
425.19769	4.5
427.17404	0.7
439.21201	1.2
451.17804	1.1
453.18781	0.5
467.20660	13.6
468.20819	1.6
469.18588	8.0
470.18945	1.1
483.20264	7.0
484.20581	1.2
493.28458	0.7
511.19669	44.4
512.20038	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	511.197
Annotation	alpha-Alectoronic acid
Peak:m/z	Relative Intensity
57.03310	2.6
59.01248	55.8
59.36753	1.3
61.98696	4.7
67.01758	12.4
69.03322	15.5
69.31410	14.0
71.01241	2.7
72.99188	2.4
81.03338	3.1
82.90852	1.3
83.01253	9.3
83.04889	2.5
84.74636	1.5
85.02818	81.9
93.03307	1.8
94.09076	1.5
95.01260	5.6
95.04899	4.8
95.59225	1.3
97.02834	11.0
97.06491	1.9
98.20616	2.7
109.02820	5.0
111.00777	2.3
111.04390	4.6
113.02271	1.4
118.08951	1.5
121.02779	2.0
123.04409	6.5
124.01553	7.0
135.04442	1.7
137.02310	1.4
139.03932	2.7
151.00217	1.4
160.84106	7.1
162.83810	12.5
166.02579	3.2
171.10164	2.6
179.21852	1.4
183.08087	1.6
183.13881	1.6
205.89757	1.5
209.11775	6.7
211.13319	2.4
223.11249	1.6
225.12874	1.9
228.03157	1.3
231.13908	1.6
241.12021	2.2
279.13867	2.5
281.15231	1.5
283.17038	2.4
292.86279	1.7
293.15298	1.8
339.15735	1.5
363.19598	3.2
381.20898	2.7
407.18594	3.3
425.19662	6.5
449.19571	3.7
452.17859	1.7
464.32190	1.4
467.20746	11.2
469.18570	35.0
470.18872	2.5
511.19659	100.0
512.19794	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	511.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
60.01594	1.0
61.05945	0.3
61.93917	0.4
69.47247	1.5
69.47679	1.1
76.84505	0.4
97.05962	0.3
108.74644	0.4
117.54830	0.3
121.02856	1.3
135.71664	0.4
162.77843	0.3
171.10057	0.4
183.13831	1.4
207.10323	0.3
209.11790	1.1
245.08273	0.6
378.29929	0.4
431.02734	0.4
432.03049	0.4
469.79965	0.4
511.29526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.9
57.03320	1.6
59.01249	62.7
61.98703	4.0
67.01764	6.5
68.99638	3.3
69.03305	4.8
70.90562	2.8
71.01249	8.0
71.04875	1.3
72.99175	1.6
73.02828	2.2
80.71052	1.4
81.03359	2.5
82.17018	1.3
83.01247	7.6
83.04910	2.2
83.19398	1.3
83.19920	1.2
85.02818	52.9
93.03336	2.6
95.01249	12.6
95.04888	2.3
96.15392	1.4
97.02806	6.5
97.06483	1.9
102.82871	1.2
104.07394	1.2
105.89498	1.2
107.04903	3.8
108.02028	5.4
109.02845	17.2
109.06454	1.3
111.00779	2.4
111.04350	2.3
112.01524	1.7
119.04916	2.8
121.02865	2.0
121.06477	2.7
123.00758	3.2
123.04408	2.3
125.02320	4.6
127.00246	6.6
132.53638	1.3
133.06499	1.9
135.04410	21.9
137.02328	1.5
137.05971	2.8
147.08086	1.6
151.00331	1.6
151.03932	10.8
153.05469	1.8
159.08109	1.4
162.03154	3.0
163.03906	20.1
164.04494	1.4
171.10223	1.9
179.03441	3.2
180.04178	5.9
181.05022	1.6
184.64252	1.3
185.11891	1.8
209.11737	4.4
211.11066	1.5
211.13075	1.7
213.12779	1.7
221.09714	1.6
223.11191	1.6
225.09143	1.6
227.12845	2.5
231.10304	2.1
245.14807	1.3
251.10712	3.3
255.17493	1.7
261.12677	1.3
267.13873	4.1
279.13916	2.4
289.15848	2.2
293.11835	2.6
293.15298	2.2
299.68338	1.4
303.13904	1.7
305.15115	1.6
333.14856	2.0
335.20184	1.7
345.18643	1.9
363.19556	9.8
371.18713	2.5
396.15372	1.6
397.20450	1.7
407.18463	9.3
413.19876	6.5
425.19711	22.7
426.20102	3.0
427.17169	2.6
451.17294	3.4
467.20697	83.9
468.21252	9.1
511.19656	100.0
512.20001	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	511.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	6.7
59.01249	100.0
61.98693	15.4
71.01257	34.4
71.22096	8.3
72.99172	6.6
73.02817	15.5
83.01249	5.0
83.04904	5.3
85.00928	3.6
85.02814	13.6
88.98719	4.1
89.02328	10.3
93.03365	6.6
95.01260	5.2
99.00778	5.0
101.02316	14.5
101.30974	3.8
107.04892	13.1
108.38193	4.6
111.00712	4.2
113.02303	12.8
113.95818	3.9
119.04894	10.4
121.02853	9.3
135.04349	4.9
149.02328	4.8
151.03908	7.0
163.03920	7.5
171.10143	12.2
190.02618	4.1
205.04921	5.1
209.11740	40.3
233.01509	4.7
245.11859	8.4
247.13257	5.8
263.12799	16.4
269.04404	5.8
289.14319	5.0
305.17645	4.4
307.04865	5.0
307.15359	12.5
322.07181	6.3
331.15195	3.9
349.16617	20.8
349.96933	5.4
425.17999	30.6
467.19263	52.8
511.21509	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03184	1.1
57.03433	1.5
59.01045	5.3
59.01382	12.0
71.00967	2.2
71.01405	6.1
72.99270	1.2
73.02927	1.1
73.93309	0.6
83.01385	0.7
85.02428	1.8
85.02993	8.3
85.06612	0.6
87.00887	0.8
87.04561	3.1
89.01901	1.4
89.02492	6.4
93.03503	1.0
95.05068	0.8
101.01791	1.3
101.02511	5.1
102.92265	0.7
103.03313	2.2
103.04078	14.1
106.04310	6.5
107.05041	1.5
108.02166	1.0
110.02515	0.9
113.02524	2.7
119.03584	3.1
119.05078	1.0
121.03036	3.9
123.04613	0.7
125.06116	0.9
135.04616	2.1
137.02509	1.0
138.03290	1.3
143.03532	0.9
145.03036	0.8
149.01315	0.7
149.02443	1.3
149.05090	0.9
149.05983	3.2
150.03218	1.0
150.06944	1.6
151.06459	1.1
151.07758	16.8
152.01146	1.0
159.08197	0.9
161.04652	0.8
161.06137	0.7
162.03348	1.1
163.04016	0.7
175.11208	18.0
176.04790	0.7
176.11766	0.9
177.05687	1.2
177.12872	1.5
178.06450	0.8
185.06184	0.8
193.08739	1.5
193.12402	1.6
201.09142	11.4
203.10747	3.6
204.11244	0.8
205.05229	1.2
205.08623	10.5
205.84995	0.7
213.48715	0.7
215.14203	0.7
219.10214	11.4
219.12086	0.8
220.11008	8.8
221.11775	49.0
222.12146	2.9
235.13556	0.7
245.08148	16.0
246.08530	0.7
247.09749	9.3
261.11377	2.5
262.15405	0.7
263.09192	6.0
264.09976	0.9
265.09229	45.4
266.09723	1.7
269.04636	0.8
271.14694	1.4
287.09314	0.7
305.10333	3.3
305.14252	1.0
305.17575	6.7
306.14178	0.8
307.15161	1.0
331.15485	5.3
332.15662	0.7
335.11224	1.1
349.16537	100.0
350.16940	6.5
365.12354	3.5
407.13058	0.7
425.14307	2.7
469.20770	0.8
511.17899	40.3
512.18591	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	511.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.3
61.98726	0.8
65.03835	0.9
67.01742	0.7
69.02351	0.4
69.59622	2.0
71.01262	1.6
73.02827	0.7
79.05413	0.4
83.04898	1.4
85.02843	1.2
85.03452	0.4
87.00738	0.6
89.02326	0.8
89.45770	0.5
93.03339	1.8
101.02340	0.8
108.02061	1.6
109.02840	7.0
113.02338	0.8
119.08556	1.4
121.02841	13.9
121.03688	0.9
122.03647	7.3
123.04413	4.8
123.08083	0.6
133.02869	1.9
134.03604	0.5
135.04417	1.2
136.01538	0.4
137.02319	1.4
148.01582	0.5
149.02336	14.6
150.03137	3.8
150.56787	0.4
151.03905	0.7
152.01125	0.7
152.05453	0.4
153.01877	0.5
159.04424	4.9
160.05219	0.8
161.02335	8.9
161.06020	1.2
163.03941	0.6
163.07556	1.8
173.06036	0.5
173.09659	2.5
175.03951	1.5
175.07542	1.1
179.32018	0.4
182.02089	0.8
183.90155	0.4
189.05505	1.5
189.09119	2.0
190.06261	1.5
191.07007	0.6
193.04987	0.6
193.97664	0.5
199.07559	0.7
203.07111	0.7
204.07761	0.5
217.12244	1.7
227.10754	2.4
228.14693	0.5
229.12260	6.6
230.12558	0.5
239.10765	0.5
240.01811	0.4
241.12263	3.6
247.13354	5.9
257.11780	0.6
259.13358	6.2
275.12952	1.4
277.14410	26.2
278.14740	1.9
287.12991	3.7
305.13919	100.0
306.14233	7.0
319.15524	0.7
331.11734	1.1
337.09442	0.6
347.14972	0.5
349.12888	12.3
349.16891	1.1
350.13147	0.8
391.13962	0.9
406.76523	0.4
434.79410	0.4
511.18127	25.3
512.18488	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	511.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.4
61.98697	0.6
65.03825	1.2
67.01749	0.8
67.30631	0.4
69.28807	1.1
69.29214	3.1
71.01244	1.5
73.02803	0.5
79.05430	0.5
81.03330	0.6
83.01246	0.8
83.04905	0.7
85.02820	1.2
87.00721	0.6
87.22634	0.4
89.02328	0.7
93.03320	1.2
94.29230	0.5
95.04885	5.1
98.19839	1.1
101.02326	0.8
108.02052	2.8
109.02830	6.9
109.06474	4.0
113.02341	0.7
119.04935	0.9
119.08557	2.2
120.99557	0.5
121.02834	18.8
121.06448	0.6
122.03627	24.1
122.99979	0.5
123.04459	2.6
125.02377	0.9
133.02840	1.0
133.10127	2.3
134.03633	1.3
135.04398	1.6
135.17523	0.4
137.02327	1.2
145.06415	0.8
149.02333	14.8
149.53279	0.4
150.03117	6.7
151.03833	0.5
159.04433	1.6
159.07977	0.7
161.02359	6.1
161.04433	0.6
161.05940	0.8
161.09567	0.6
163.07547	49.4
164.07877	1.5
164.72527	0.5
173.05901	0.5
173.09607	0.9
175.03896	1.7
175.07550	1.3
177.09113	63.9
178.09494	3.0
178.43149	0.4
182.02068	1.3
187.07491	0.6
188.06961	0.4
189.05470	1.8
189.09038	0.9
190.05881	0.4
191.07054	17.2
191.10670	1.0
192.07396	1.0
193.04947	0.7
203.07065	1.8
204.07854	1.0
205.08632	18.4
206.09041	0.8
207.06673	0.5
219.06569	0.8
227.10626	0.7
229.12325	0.8
241.12204	1.7
247.13289	1.2
259.13306	3.8
277.14420	39.4
278.14758	2.6
287.12854	2.0
305.13919	100.0
306.14212	7.3
319.15527	1.0
347.14932	0.9
349.09137	0.7
349.12888	5.4
396.17740	0.5
511.18130	29.3
512.18329	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	511.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	4.9
57.38686	2.0
59.01254	65.9
61.98708	3.5
65.54242	1.9
71.01249	35.4
71.52665	4.2
72.99191	2.5
73.02813	15.3
75.00729	2.6
75.94989	2.0
80.02538	22.4
81.44300	2.4
83.01254	6.4
83.04858	2.6
85.02823	15.8
87.00744	2.8
89.02318	8.9
93.03350	3.8
95.01265	4.0
95.04923	2.2
97.02817	3.3
99.00778	2.7
101.02345	19.6
103.03867	5.8
106.04143	5.5
107.04906	12.4
108.02049	84.2
109.02856	6.0
109.06469	4.1
111.00751	6.1
113.02327	13.7
115.03913	8.1
119.03390	3.5
119.04889	5.6
121.02857	13.0
122.03642	3.5
123.04385	3.4
125.02371	3.1
130.04138	9.8
133.02855	4.2
134.03687	3.3
135.00691	3.1
135.04396	3.8
137.02330	6.0
138.03165	3.0
143.03462	2.8
143.04953	3.3
145.06480	25.5
147.04387	3.7
147.08060	3.4
149.02362	5.0
151.00293	3.1
151.03877	4.4
152.01056	100.0
153.01773	6.6
160.04019	2.8
161.02335	6.0
161.04462	6.9
161.05917	4.9
163.03912	4.2
163.07532	13.6
167.03476	3.4
171.04286	3.0
174.03139	11.3
175.11160	3.6
177.01736	2.3
187.11200	2.1
189.05493	62.7
190.02597	4.1
190.05841	3.3
191.07053	7.7
203.10574	2.1
205.04980	2.6
207.06621	5.2
217.08678	3.2
219.06522	2.8
219.10152	2.7
233.04504	27.0
233.10252	3.6
245.08105	3.2
263.09198	5.3
263.16351	2.9
265.09293	8.7
269.04468	2.2
271.14215	2.6
277.09311	9.3
289.14557	9.8
289.17969	4.7
304.12805	3.6
307.15448	8.4
349.16495	4.2
435.17532	3.7
449.14447	3.9
466.17621	3.0
467.15219	17.9
469.20193	5.4
479.16290	5.2
511.14667	62.5
511.21274	34.7
512.14874	7.1
512.22345	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	510.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.4
61.98700	100.0
65.87071	0.3
69.64179	1.4
69.64592	0.6
78.95784	0.4
84.95198	0.3
87.46635	0.3
97.44063	0.3
97.90225	0.3
98.19849	0.4
117.96973	0.3
152.99504	1.1
168.73450	0.3
238.48882	0.3
281.24969	1.3
282.25122	2.9
285.26913	0.4
510.29065	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	510.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	8.5
59.00955	6.0
59.01245	88.3
60.01544	2.9
61.98704	14.2
62.96892	2.6
63.50817	3.3
64.84066	3.1
69.41254	25.4
71.01248	33.6
72.99175	5.3
73.02818	9.1
74.45390	2.6
75.00736	3.4
78.16378	2.6
80.02507	3.6
83.01250	7.3
83.63996	2.6
84.24088	2.6
85.02824	24.8
87.00764	6.9
87.04386	3.5
89.02295	14.0
93.03336	26.8
99.00740	5.0
101.02326	26.1
103.03886	52.0
107.04905	4.8
108.02039	19.4
109.02824	8.5
111.00732	4.6
113.02326	15.5
115.27468	2.8
116.06004	2.8
119.03410	6.6
119.04916	5.0
119.97469	2.8
121.02836	20.8
131.03551	4.2
133.02863	3.1
135.04428	9.1
137.02341	21.2
143.03368	4.6
145.02776	3.1
146.02367	94.7
147.08003	4.5
149.02330	6.7
149.04620	3.0
150.03024	3.1
157.06470	3.5
161.04526	3.1
163.03886	7.2
164.03433	73.8
164.04752	6.4
165.01767	6.4
167.03476	3.4
173.06020	6.5
175.07573	5.4
177.09113	4.6
191.06999	6.2
200.07072	13.8
203.07088	4.6
204.00999	3.1
217.04890	4.4
219.06529	3.5
226.05080	16.7
235.06102	5.9
243.13821	11.7
244.06367	2.9
244.14212	5.3
253.09837	5.4
261.14981	6.8
262.07205	3.8
262.15274	8.9
263.90527	2.7
265.09268	40.3
277.06967	3.5
287.12915	11.0
288.12900	3.3
298.09674	3.1
302.13229	4.3
305.14001	14.3
306.09421	3.1
306.10989	3.3
306.14215	24.9
307.15152	2.9
346.42889	3.1
348.14853	5.0
348.18253	40.0
349.16452	21.2
371.64056	3.4
383.53418	3.2
404.16129	14.0
416.16101	7.2
434.17096	25.2
450.25961	3.5
460.15021	3.6
465.17624	8.2
469.20471	3.8
478.16156	14.8
492.18604	4.1
509.20132	7.6
510.19534	100.0
511.20923	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	510.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46180	0.8
56.73782	0.8
57.03326	5.2
59.01254	15.3
61.98689	1.4
69.03324	1.9
69.22311	8.3
69.22730	2.0
70.31595	1.0
71.01244	10.5
72.99158	1.1
73.02806	2.2
83.01259	1.7
85.02354	1.2
85.02818	14.3
87.00729	2.4
89.02309	5.8
93.03346	15.6
94.46232	0.9
95.01270	1.8
95.04919	1.0
97.02796	0.9
98.20650	1.0
99.04376	1.1
101.02336	5.9
103.03889	54.7
108.02053	13.1
109.02868	1.0
113.02340	4.5
119.03365	3.6
121.02827	6.8
131.03610	3.5
135.00754	2.0
135.04411	9.2
137.02367	8.4
145.06465	3.0
146.02380	100.0
147.02655	2.8
147.04430	0.9
147.08032	2.1
148.03944	1.3
149.04764	1.8
154.81761	1.1
164.03444	80.6
165.03780	1.7
171.07997	1.6
173.05954	5.1
173.09587	2.3
187.30630	0.9
189.09050	1.4
191.07014	2.5
191.10634	1.3
200.07115	16.3
217.04982	4.6
217.08603	5.4
218.08080	3.9
220.00601	3.5
226.03052	1.7
226.05040	17.8
235.05919	1.3
243.06485	2.5
244.06157	2.6
247.08102	2.7
261.07599	3.8
262.07230	4.4
265.09277	40.6
266.09509	2.4
277.07181	1.8
288.08682	1.2
304.08221	1.4
306.09912	5.4
337.09238	1.5
346.12634	1.7
349.16431	3.0
465.13779	2.6
466.11749	1.5
483.14767	1.6
492.15155	3.5
510.16000	48.5
511.16251	4.7
512.13812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67477	0.8
76.65205	0.9
78.95770	19.5
96.96809	0.9
97.51934	0.8
98.19758	1.6
99.92424	1.9
104.88213	0.8
112.88631	0.8
125.44238	0.8
152.99481	30.3
171.00533	1.5
220.14319	0.8
227.03102	3.6
239.21989	0.9
245.04265	3.9
281.24829	100.0
282.25284	6.5
295.01199	1.0
337.78317	1.0
509.28671	52.2
510.28885	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	509.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01443	0.2
59.01254	0.5
60.80327	0.2
61.98679	0.2
66.98050	0.2
67.01746	0.4
69.52128	1.1
71.01287	0.2
73.02818	100.0
74.03138	1.0
121.06455	0.2
209.11810	0.3
225.11238	0.2
228.77115	0.2
231.06590	0.2
234.68565	0.2
267.17532	0.3
310.64658	0.2
343.04178	0.2
381.20828	0.5
391.19373	0.6
409.20145	0.2
435.18011	1.9
509.21558	1.4
509.28790	0.4
510.22464	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80046	0.7
55.01728	1.0
59.01249	31.9
61.98420	0.6
63.22953	0.7
65.42525	0.7
69.03323	0.9
70.72781	1.0
70.73119	1.6
71.01256	21.0
73.02817	33.0
75.00738	1.0
75.04365	0.6
77.84788	0.7
83.01254	6.0
83.04887	0.9
85.02814	4.0
85.40079	0.7
87.00754	1.1
89.02316	2.1
93.03326	1.5
95.01277	1.0
97.02828	0.9
97.42393	0.7
101.02324	12.6
104.23120	0.7
106.04122	10.5
107.04910	2.3
108.39584	0.7
113.02325	5.6
119.04876	1.3
121.02865	1.1
131.03409	1.1
134.03629	0.9
137.02390	1.1
138.03139	1.6
147.08060	5.4
149.02365	1.3
150.03101	1.1
159.08109	1.7
161.04500	0.8
161.09627	20.5
161.10913	1.6
162.09987	1.0
166.21373	0.7
173.09592	0.8
175.07570	1.0
181.04871	1.0
182.02119	0.8
189.09073	0.9
191.07016	3.1
194.44501	0.7
203.07053	2.5
204.43961	0.8
205.08627	19.3
206.08929	1.5
219.06595	1.9
219.10165	1.2
225.12816	1.4
243.13799	4.2
247.09756	1.9
250.88953	0.8
255.62572	1.1
287.12881	13.1
288.13403	0.8
305.13928	100.0
306.14288	8.2
319.15689	1.1
347.14975	16.0
377.16122	0.8
389.16165	1.1
449.18225	3.5
467.18945	1.3
491.19348	1.1
509.20258	44.0
510.20660	4.8
514.10999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2025
Annotation	Lactoside B
Peak:m/z	Relative Intensity
57.03315	1.5
58.16320	0.4
59.01247	13.3
65.03814	0.4
66.67958	0.4
67.01744	0.6
69.31829	1.3
69.32254	2.6
71.01246	5.3
71.26092	0.4
73.02813	8.6
73.81635	0.5
77.38739	0.4
78.72706	0.4
79.05417	0.5
82.59646	0.4
83.01252	1.9
83.04884	1.4
85.02825	2.1
86.09129	0.4
89.02318	0.9
93.03339	1.0
95.01236	0.5
101.02306	4.6
101.05966	1.7
106.04127	2.1
107.04891	3.4
108.02050	4.5
108.75398	0.4
109.02827	5.7
113.02345	2.4
121.02848	13.1
122.03629	10.6
123.04412	1.7
123.08034	0.5
133.02844	2.8
134.03607	1.0
135.04416	1.6
143.04901	0.6
145.06403	0.5
147.08046	2.5
149.02444	0.5
150.03119	0.9
152.01076	2.3
157.06474	1.9
159.04393	1.7
159.08052	2.9
160.45203	0.4
161.02319	0.6
161.05931	0.9
163.07541	1.2
165.01825	2.2
166.02608	0.9
173.06012	0.6
173.09653	0.7
175.07593	3.2
175.11179	2.9
177.01840	2.6
177.09137	0.8
187.07541	0.5
187.99031	0.5
188.08337	1.0
191.07030	1.1
191.10693	6.1
201.05510	4.8
203.07114	3.0
219.06567	6.7
221.08130	2.2
225.12869	0.7
231.13916	2.7
233.15532	0.6
241.12337	1.0
243.13861	19.4
244.14191	1.2
249.11261	0.8
261.14932	22.7
262.15292	1.5
269.11624	2.0
287.12894	14.4
288.13254	1.1
303.12628	0.4
303.15927	0.8
305.13919	63.4
306.14218	4.1
317.43066	0.5
319.15619	0.4
329.13589	0.5
347.14948	7.7
347.18680	1.1
348.15186	0.5
401.48508	0.4
449.18591	2.2
465.21136	1.0
509.20209	100.0
510.20502	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	509.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.2
57.03316	2.7
58.00452	1.7
58.07173	0.6
59.01248	47.4
62.79103	0.6
68.20836	0.6
69.03325	1.6
71.01250	31.8
71.52959	0.7
71.97369	0.5
72.99174	1.8
73.02814	43.9
74.03162	0.7
75.00734	1.1
83.01253	11.1
83.04890	1.9
85.02821	14.5
87.00777	1.4
89.02316	3.2
93.03329	6.2
95.01260	2.3
96.99193	1.3
97.02835	0.9
99.00796	1.4
101.02317	18.8
103.03854	0.8
106.04112	5.9
107.04897	6.3
108.02036	1.5
109.02839	1.7
111.00772	1.6
113.02332	11.7
119.04895	2.6
121.02838	2.0
121.06432	0.7
123.04393	1.4
125.02332	1.7
131.03380	1.0
134.03574	1.2
137.02332	1.4
137.09615	2.0
138.03156	1.4
139.00273	1.2
143.03397	0.7
143.04921	0.9
147.02901	1.0
147.04478	0.9
147.08066	2.0
149.02347	2.1
150.03116	1.2
154.06706	0.6
159.08026	3.4
161.04474	1.5
161.05862	0.6
161.09615	3.8
161.99738	0.6
163.03941	1.5
164.04724	0.7
166.50397	0.6
173.09648	6.0
175.11188	1.0
177.05383	1.1
182.02084	1.7
183.08058	7.8
185.09587	3.5
190.02672	0.6
191.00371	0.6
191.01840	3.2
201.09077	0.8
203.03394	0.9
203.06979	1.7
203.10698	1.8
205.05063	1.5
205.08664	3.2
215.14420	0.7
217.08691	3.4
225.12679	1.5
227.07117	1.9
229.08662	4.1
231.10185	0.9
233.08116	0.7
237.77306	0.6
243.13890	0.9
245.08147	0.9
247.09645	1.9
287.12881	8.8
289.10776	0.9
289.14505	0.8
303.12466	0.8
305.13916	100.0
306.14218	7.5
317.13623	0.7
319.15500	2.8
330.13544	1.0
331.15643	0.7
347.14981	19.9
348.15002	1.7
377.16330	1.0
389.16046	2.1
445.06949	0.7
449.17999	8.1
509.20233	77.8
510.20502	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	509.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46162	0.2
54.70985	0.2
55.01762	0.2
57.03303	0.3
59.01248	4.7
61.98690	0.2
69.44514	0.9
69.44942	0.6
71.01250	2.5
72.99131	0.2
73.02817	2.9
76.19090	0.2
83.01241	1.1
83.04870	0.2
85.02821	0.9
89.02333	0.5
93.03376	0.3
95.01248	0.3
101.02314	1.5
105.76401	0.2
106.04127	0.6
107.04895	5.1
107.54913	0.2
108.02032	0.2
113.02309	0.6
119.04897	0.3
121.02827	0.4
130.04114	0.5
131.04897	0.3
136.85573	0.2
137.02357	0.3
145.02837	2.5
146.03590	0.6
147.04393	0.4
149.02324	0.3
150.03136	0.5
151.03926	1.7
161.05940	0.3
161.09683	0.4
173.02348	1.6
173.09523	0.4
174.03133	15.2
175.03912	4.8
175.07388	0.3
176.04318	0.2
178.02629	0.5
182.02112	0.3
183.08089	0.6
186.06761	0.5
187.11237	0.5
199.07555	1.1
201.09129	1.8
205.08633	0.2
206.02121	6.3
225.12730	0.2
227.07065	6.0
228.07503	0.2
229.12248	0.2
231.10233	0.2
231.13858	0.2
243.13977	0.2
245.08145	100.0
246.08470	5.1
287.12875	1.2
289.14429	0.2
303.12375	0.2
305.13925	14.0
306.14270	1.2
319.15576	0.2
347.14996	1.7
384.90793	0.2
449.17935	0.4
467.19193	0.2
509.20282	4.6
509.28607	0.2
510.20612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92184	1.0
57.03322	37.0
58.00448	1.7
59.01247	51.5
60.01577	1.5
61.98692	1.0
71.01251	25.4
71.52370	1.6
72.99158	1.9
73.02448	1.6
73.02814	22.7
75.00717	2.3
81.58794	1.1
82.02839	2.8
83.01247	6.3
83.04865	2.1
85.02809	17.8
87.00732	2.3
89.02328	5.4
93.03321	2.6
95.01249	2.7
99.00764	1.7
99.04386	24.6
101.01699	1.7
101.02319	23.5
105.03333	1.4
106.04097	4.4
107.04899	5.5
108.02008	2.2
111.00720	3.2
113.02343	9.3
119.03395	1.7
119.04910	8.3
121.02795	2.4
123.04312	1.4
125.02329	5.2
129.01823	1.3
132.29800	1.0
136.01524	1.1
137.02263	1.4
138.03038	1.4
139.00218	1.5
143.03435	1.2
145.07611	60.1
146.07890	1.7
147.04340	1.8
149.02191	1.3
150.03072	2.7
151.33261	1.2
152.00986	2.4
159.08015	1.2
161.04532	10.1
161.09543	1.4
163.03882	1.5
170.07083	3.3
173.07152	1.1
173.09671	7.4
175.03955	10.3
175.11174	2.2
176.04298	1.3
182.01900	1.2
188.06551	1.9
188.08211	39.1
189.08736	1.7
191.01784	3.2
214.07831	2.2
214.09785	40.8
215.10257	1.6
217.08521	2.9
219.06433	1.3
225.12891	2.0
226.09753	1.1
228.11261	2.2
231.27881	1.2
243.13704	1.2
244.10690	2.7
245.08113	3.2
256.10880	16.6
261.14877	1.6
263.09183	14.6
268.10764	3.3
286.11868	1.4
287.12784	7.4
289.14340	4.6
303.12195	4.6
304.12964	32.1
305.13962	55.7
306.14078	3.5
319.15411	2.1
322.14050	100.0
323.14328	7.7
330.13391	2.0
339.16327	1.2
347.15054	11.8
348.14572	2.1
361.16879	1.5
364.14929	2.3
365.14407	3.8
389.15442	1.9
407.15417	1.2
423.19910	1.5
449.18158	8.2
466.18268	5.4
467.19406	1.9
509.19980	75.9
510.20261	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	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.0
61.98702	0.6
69.94749	1.1
69.95164	1.1
78.95773	6.0
96.96822	0.5
111.41415	0.4
126.34548	0.4
130.10481	0.4
139.30211	0.4
152.99489	14.5
171.00539	1.1
176.89754	0.4
227.03300	2.1
242.49976	0.5
245.04277	1.8
261.22134	0.6
279.23267	100.0
280.23639	5.1
349.28308	0.5
503.65994	0.5
507.27228	26.7
508.27756	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	507.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.9
61.98700	100.0
70.01710	2.6
74.04012	0.6
78.16428	0.7
78.95780	4.0
89.33601	0.6
128.25449	0.5
134.57950	0.6
152.99501	5.2
200.35039	0.7
224.33125	0.6
227.03189	0.7
279.23264	23.6
280.23792	1.9
313.84518	0.7
466.56311	0.7
507.27264	11.0
508.27728	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33903	1.8
57.03318	1.6
59.01249	29.7
60.01593	1.8
61.64303	1.4
61.98700	3.1
69.03329	2.2
71.01232	7.6
73.02818	4.5
83.01283	1.6
83.63625	1.5
85.02821	5.3
89.02319	4.2
93.03370	2.0
95.01250	2.8
99.41389	1.4
101.02323	5.2
104.04937	12.2
108.02050	59.2
109.02843	20.3
113.02335	3.8
116.92666	1.8
119.03444	1.8
120.04422	11.5
121.02814	1.6
122.06033	4.4
123.04420	1.6
126.80975	1.5
128.06615	1.5
128.88786	1.9
147.54704	1.5
148.03944	100.0
149.04289	2.4
152.01056	75.1
153.01831	24.5
161.04463	2.7
161.70056	1.5
163.03957	2.3
166.05013	39.3
174.05823	1.4
181.01572	1.4
192.02956	19.5
196.01509	1.5
210.04066	5.8
241.14253	1.7
261.65839	1.7
297.06143	16.0
315.07187	2.4
319.32523	1.9
490.09839	61.5
491.10175	4.4
508.10986	54.1
508.18155	1.6
509.11328	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	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.7
59.01248	100.0
60.01571	1.0
61.98700	1.2
70.60957	0.4
71.01248	10.3
71.01618	0.7
71.52567	0.5
72.99197	1.0
73.02808	3.6
75.00760	0.8
83.01267	1.8
83.09135	0.4
85.02823	4.6
87.00748	1.4
89.02297	2.6
95.01284	1.3
99.00756	1.3
101.02319	7.8
103.03935	0.4
109.02840	0.5
111.00777	0.6
113.02322	4.3
119.03387	1.5
121.02874	0.5
123.04418	0.6
125.02351	0.9
135.04413	0.5
143.03433	1.0
145.04964	0.4
149.04515	0.4
153.01985	0.5
159.02925	0.4
160.03957	2.4
161.03278	0.6
161.04399	2.4
165.56146	0.4
167.03400	0.5
179.05583	1.0
203.05505	0.4
207.13881	0.6
210.05139	0.4
225.14920	0.8
241.14473	0.8
243.15990	3.3
267.16049	0.8
285.17139	0.9
309.17087	0.5
361.62024	0.4
387.20239	15.8
388.20792	1.1
405.21274	11.6
406.21664	0.4
447.22360	10.4
448.22849	0.8
463.22079	1.1
507.22067	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2234
Annotation	Milolide K
Peak:m/z	Relative Intensity
59.01249	34.7
61.98698	2.0
71.01253	12.9
71.52483	0.9
71.52839	0.9
72.99197	1.7
73.02816	7.1
83.01253	1.9
83.04911	0.7
83.10550	0.6
85.02827	5.8
87.00738	2.1
88.98671	1.4
89.02303	3.1
93.03336	1.2
95.01258	1.6
97.02780	1.5
99.00734	1.4
101.02317	6.4
103.03936	0.9
106.04092	1.1
107.04892	2.6
108.02039	1.5
109.02838	1.1
111.00823	1.0
113.02325	5.0
118.35959	0.7
119.03366	0.9
119.04913	2.1
120.05708	0.7
121.02795	1.4
121.06490	2.6
124.01466	1.0
125.02286	1.4
132.65240	0.7
133.06499	0.7
135.04312	0.7
146.98671	0.7
149.02318	1.6
163.03969	1.0
164.04707	4.4
175.03960	0.8
189.09087	0.7
189.12775	2.6
196.03749	5.2
210.35681	0.7
211.13425	0.8
229.08641	0.7
229.15950	1.0
239.14302	0.9
241.15952	2.2
243.17557	0.9
259.14459	1.0
259.16968	2.5
267.13834	1.7
285.14938	6.0
287.16525	16.6
288.17087	1.5
303.12784	1.4
303.16013	5.3
317.13806	1.2
318.08255	0.7
345.13358	2.8
438.87875	0.7
447.20255	7.0
461.23679	0.8
465.04373	0.8
465.21298	26.2
466.21783	2.3
507.22336	100.0
508.22888	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	507.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01725	1.3
57.03316	2.0
59.00962	2.3
59.01250	38.9
61.98694	2.0
69.03332	1.3
69.82504	3.3
69.82927	4.7
71.01250	22.1
72.99163	1.5
73.02814	9.6
73.98166	1.2
78.95764	1.3
83.01242	4.4
85.02815	10.7
87.00761	2.3
89.02311	7.0
93.03316	5.2
95.01240	2.6
97.02798	2.0
98.36176	1.3
99.00763	2.9
101.02322	13.1
106.04091	1.7
108.02024	1.5
109.02831	1.4
111.00698	1.6
113.02317	9.9
119.03403	1.9
119.04884	1.7
121.02823	4.5
122.03660	2.6
132.05699	14.0
133.02829	2.5
133.06506	7.5
136.07501	1.9
145.06433	1.9
146.03630	17.1
149.02196	1.3
149.06032	1.5
155.52489	1.3
157.06451	1.7
159.04410	4.1
161.04440	4.8
164.04666	8.6
173.09505	2.2
175.07579	2.2
177.01765	2.0
180.06580	1.7
192.04138	1.5
203.03404	4.7
210.05183	1.5
214.06323	1.4
218.05817	1.5
235.90671	1.3
241.12280	2.9
243.06467	1.2
243.13853	2.1
255.17519	30.5
256.17874	2.0
257.19012	2.2
259.13263	5.7
269.11734	2.5
283.17020	22.4
284.17319	1.8
285.11349	2.4
287.12756	5.1
301.18079	100.0
302.18457	8.4
303.12375	3.5
345.30215	2.5
352.20438	1.3
421.18018	1.8
426.61346	1.3
447.16470	2.0
463.20462	5.4
465.17389	3.8
472.22238	4.3
489.18030	2.9
507.18530	77.4
507.35181	22.0
508.19040	10.2
508.35062	1.8
515.29614	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	507.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04106	0.6
57.03314	1.2
59.01247	31.1
61.98684	1.7
69.51370	4.7
70.26105	0.6
70.70119	0.5
71.01249	13.3
72.99198	0.9
73.02816	8.3
73.21716	0.6
78.95757	1.9
83.01244	2.7
85.02840	3.1
87.00741	2.2
89.02303	3.5
93.03295	0.7
99.00768	1.3
101.02319	9.1
113.02359	3.4
119.03374	0.9
119.04875	0.7
121.02846	3.9
137.48146	0.6
149.02339	11.1
164.04691	9.9
196.03694	11.7
217.08600	1.1
218.85518	0.7
220.01080	0.6
233.11685	1.2
241.86926	0.6
285.14966	10.6
287.16492	17.2
288.16727	1.4
303.12866	0.6
303.15973	16.6
304.16357	1.0
319.18201	1.5
345.17035	1.6
373.05569	0.6
447.20181	11.2
448.20517	0.9
465.21252	30.0
466.21594	2.9
507.22293	100.0
508.22256	9.9
516.42096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57373	0.4
55.01743	1.1
57.03318	0.5
58.00464	1.2
59.01249	35.4
60.01581	0.5
61.98687	0.5
69.03316	0.7
71.01250	17.7
71.10160	1.2
72.99186	1.0
73.02815	21.1
75.00759	0.5
75.52722	0.4
83.01248	4.0
85.02831	3.6
87.00745	1.5
89.02317	3.8
95.01245	0.7
97.02840	0.5
99.00734	0.9
101.02319	11.6
108.02013	0.5
112.04682	0.5
113.02322	3.9
115.73483	0.5
121.02839	6.9
123.04370	0.5
131.03380	0.6
136.01546	1.1
143.03328	0.5
149.02350	20.4
150.02708	0.6
151.03871	1.2
161.04475	0.8
164.04684	12.9
185.84915	0.4
193.26738	0.4
196.03700	14.6
197.04120	0.5
200.37727	0.5
203.07028	0.5
204.07915	1.2
217.08740	0.7
218.57870	0.5
230.09453	0.9
241.08559	0.5
283.13492	0.8
285.14938	27.8
286.15207	2.0
287.16516	47.2
288.16876	2.8
303.16101	2.6
304.16458	0.5
314.65091	0.5
345.17053	0.6
447.20282	5.5
447.25781	0.9
465.21277	21.4
466.21649	2.3
507.22318	100.0
508.22675	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	507.2232
Annotation	Milolide K
Peak:m/z	Relative Intensity
53.62609	0.3
54.67648	0.4
55.01730	0.6
56.02599	0.3
57.03305	0.6
57.05363	0.3
58.00444	0.3
59.01244	25.9
60.01579	0.4
61.98691	1.4
67.64159	0.3
69.03328	0.4
71.01250	12.6
72.99187	1.0
73.02810	10.8
74.02302	0.4
75.00756	0.5
75.03978	0.3
75.71893	0.3
81.03376	0.4
83.01254	3.3
85.02820	3.6
87.00748	1.1
89.02303	2.8
93.03330	1.3
95.01242	0.9
97.02835	0.5
99.00743	0.7
101.02309	7.8
103.03886	0.6
106.04103	1.4
107.04886	2.3
108.02041	0.7
111.00760	0.8
111.76714	0.4
113.02315	2.9
119.03350	0.8
119.04926	0.9
119.32040	0.4
120.08084	2.4
121.02826	1.1
121.06457	2.1
123.04420	1.0
125.02348	0.4
131.03436	0.3
132.08095	0.5
135.04414	0.5
137.02301	1.7
143.03380	0.7
143.04579	0.4
149.02367	0.4
151.00269	0.4
152.01010	0.4
159.08003	0.4
161.04436	1.2
163.03992	0.5
164.04700	8.9
164.07002	4.1
165.12810	0.6
173.09782	0.4
183.13843	1.6
196.03694	9.1
197.04109	0.4
197.15292	0.5
203.07069	0.5
204.07828	1.7
205.05008	0.4
206.08136	0.5
217.08629	0.6
218.09393	0.4
229.08720	0.5
229.15942	1.2
241.15923	2.4
241.45538	0.4
243.06430	0.5
243.17540	0.9
259.13345	0.7
267.13797	0.7
285.14932	20.8
286.15240	1.6
287.16486	38.4
288.16760	2.6
303.12906	1.2
303.16174	0.8
403.21033	0.4
447.20233	1.7
465.21347	8.6
466.21634	0.7
489.21399	0.5
506.34058	0.4
507.22342	100.0
508.22739	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	506.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00961	1.2
59.01249	21.9
59.88990	0.6
60.01561	1.1
61.98689	0.8
70.81646	1.6
71.01260	3.4
71.01574	0.6
73.02813	1.6
74.34763	0.6
75.60961	0.5
78.95770	1.0
83.01263	0.8
83.04860	1.1
85.02815	2.3
96.82496	0.6
99.00749	0.6
101.02316	3.2
113.02316	2.2
119.03357	0.7
119.04916	0.7
121.02843	0.9
148.24242	0.6
172.60001	0.6
197.11708	1.7
200.03432	0.6
209.11761	1.9
210.12103	0.7
227.77652	0.5
243.01691	4.7
244.02209	0.8
257.03238	1.0
258.03937	0.8
271.01193	26.6
272.01990	31.1
273.02432	1.3
285.14871	0.8
286.03558	100.0
287.04309	55.1
287.07748	1.0
287.16510	0.7
288.04593	2.3
300.05176	0.8
301.05884	17.9
302.06668	89.7
303.07013	3.6
309.20566	1.2
357.28598	0.6
368.95511	0.6
445.31693	0.7
446.11237	1.0
446.21555	2.5
447.20526	0.9
463.32571	0.8
464.22998	0.8
465.20932	1.0
467.84232	0.6
505.33481	2.2
506.12994	73.4
506.33890	1.6
507.13248	6.0
507.21594	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	505.3537
Annotation	Cordianol A
Peak:m/z	Relative Intensity
53.01535	0.2
57.03271	0.8
57.29852	0.2
58.00417	1.2
59.01194	16.1
59.01522	1.0
60.01554	0.4
61.98655	0.5
69.03265	0.7
69.64956	1.3
71.01255	2.2
71.04841	0.5
71.20629	0.2
72.99123	0.6
73.02812	5.3
74.28983	0.2
78.95734	0.3
79.05364	0.5
80.02503	0.3
83.04839	0.5
85.02757	0.8
85.06469	0.9
87.04321	0.6
93.03284	0.2
95.04847	0.5
97.06464	8.4
98.03568	0.3
99.04340	0.3
101.05921	0.4
119.04815	0.2
138.06657	0.3
145.16840	0.2
149.09637	0.2
153.12704	0.3
155.07310	0.4
161.09595	0.2
165.12697	0.2
171.10017	0.2
173.09464	0.3
180.08078	0.4
181.08432	0.2
187.11154	0.2
198.09171	10.6
199.09505	3.6
235.16765	0.2
237.65234	0.2
241.14253	0.2
272.68036	0.2
288.20737	0.2
300.02884	0.2
327.23267	0.4
329.24872	0.7
341.24860	0.2
343.26416	0.6
355.26437	0.2
357.24170	0.4
357.28137	0.3
359.29315	0.2
367.26288	0.3
369.27814	0.8
371.25766	0.7
371.29532	0.8
373.27454	7.0
374.27670	0.4
381.27991	0.8
383.25565	0.3
383.29990	0.4
385.27487	1.2
385.79691	0.2
387.29071	7.2
388.29245	0.7
389.30664	0.5
391.27158	0.2
393.27924	1.2
397.27582	0.4
399.29013	12.0
400.29312	1.0
401.30463	0.8
403.28622	0.4
405.30200	0.4
407.31604	0.3
409.27441	0.3
411.29013	4.9
412.29471	0.3
415.20560	0.3
415.28418	1.2
417.30072	5.6
418.29987	0.4
425.27084	0.2
427.28281	0.3
429.30243	3.5
430.30215	0.3
445.29578	0.6
446.30017	0.4
447.31116	100.0
448.31448	9.8
457.33218	0.2
469.33270	0.7
487.34442	0.7
505.35352	34.7
506.35706	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	505.3532
Annotation	Cordianol A
Peak:m/z	Relative Intensity
51.28888	0.2
57.03242	0.6
57.03487	0.3
58.00366	0.9
59.01148	5.5
59.01481	1.4
61.98595	4.1
61.98954	0.8
69.03208	1.0
70.06199	0.5
70.06609	0.8
71.01148	2.8
71.01577	0.5
71.04809	0.6
72.99105	0.5
73.02709	14.6
81.03226	0.3
83.04772	1.8
85.02753	0.4
85.06336	1.4
87.04266	0.4
93.03267	0.3
95.04812	0.6
97.06335	8.4
97.07018	0.7
99.04293	0.4
101.02261	0.4
101.05876	0.3
107.04742	0.2
109.06354	0.4
111.07923	0.3
116.51714	0.2
117.05332	0.6
124.90041	0.2
125.92070	0.3
149.09502	0.4
153.12694	0.2
165.12617	0.6
183.13788	0.4
209.09584	0.2
219.25237	0.2
235.16896	0.5
241.14299	0.3
283.17044	1.5
299.08276	0.4
300.02551	0.3
315.23248	0.3
329.24832	1.5
343.26288	0.3
355.26416	3.7
356.26547	0.4
359.29562	0.7
369.27945	3.8
370.28217	0.4
371.29550	0.6
373.27432	5.2
374.27783	0.5
381.27975	1.1
383.29395	0.8
383.87115	0.3
385.27396	1.1
387.29022	8.3
388.29269	0.7
389.31024	0.3
393.27771	0.7
397.27753	0.4
399.23911	0.6
399.29001	9.4
400.29379	0.5
401.30594	0.5
403.28595	0.3
405.30017	0.3
411.29044	3.6
415.28397	0.9
417.30084	3.3
418.30728	0.3
419.31931	0.4
429.30106	3.5
431.28201	0.4
445.29773	0.7
447.31110	100.0
448.31439	10.3
453.07184	0.3
469.33206	0.7
487.34845	0.3
505.35400	26.9
506.35818	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	505.3174
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
56.50507	0.5
57.03323	8.9
58.76478	0.5
59.00999	0.6
59.01248	8.2
69.03319	3.4
71.01343	0.9
73.02817	1.1
80.02521	0.9
93.03318	0.6
107.04902	3.5
109.06471	53.0
110.06805	2.1
141.99582	0.6
166.58723	0.5
198.09177	4.0
255.14063	0.5
301.14410	0.6
311.23764	1.5
313.25360	9.3
327.26947	1.4
329.24799	0.9
341.28400	6.3
342.28897	1.0
346.60416	0.6
355.29852	1.6
357.28000	2.3
367.26337	3.0
381.27698	0.6
389.30600	11.2
443.31793	4.9
444.32211	0.8
445.69983	0.6
461.32672	40.2
462.33078	4.7
505.21255	5.0
505.31644	100.0
506.31946	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	505.3535
Annotation	Cordianol A
Peak:m/z	Relative Intensity
52.89115	0.2
57.03219	0.9
57.03527	0.4
58.00375	0.6
59.01142	4.9
59.01476	1.4
61.98590	1.6
61.98937	0.3
69.03191	0.8
69.03568	0.4
69.74938	0.3
71.01131	2.6
71.01558	0.4
71.04790	0.5
71.05140	0.2
72.99098	0.3
73.02695	16.3
73.66891	0.2
78.95686	0.5
79.45320	0.2
81.03233	0.4
83.04768	1.9
83.05317	0.5
85.02699	0.7
85.06342	1.3
87.04257	0.6
93.03216	0.4
95.04770	0.6
97.02708	0.6
97.06325	9.0
97.07018	0.8
99.04287	0.4
101.05862	0.5
109.06379	0.4
110.27099	0.2
111.04261	0.2
111.07923	0.3
113.05821	0.3
117.05344	0.4
125.09484	0.3
149.09521	0.3
165.12587	0.6
183.13658	0.4
198.08992	0.5
209.11653	0.4
235.16913	0.6
245.18925	0.4
259.20322	0.3
300.02515	0.4
307.19354	0.4
311.23557	0.4
315.23096	0.9
326.17578	0.3
329.24820	2.3
331.26669	0.3
341.24707	0.3
341.28650	0.3
343.26312	0.3
355.26367	4.1
356.26764	0.3
357.27832	0.4
359.29645	1.4
367.26230	0.5
369.27927	3.7
370.28232	0.4
371.29486	0.8
373.27411	5.0
374.27554	0.4
381.27899	1.3
383.25238	0.3
383.29538	0.7
385.27240	1.2
387.29031	8.1
388.29309	0.5
389.30927	0.5
393.27844	0.9
395.25851	0.4
396.26257	0.3
397.27280	0.7
399.23898	0.5
399.29034	9.4
400.29272	0.6
401.30737	0.4
403.28665	0.3
405.30121	0.6
411.29037	3.9
412.29498	0.3
413.27191	0.3
415.28375	0.9
417.30029	3.7
418.29910	0.3
419.31873	0.3
429.30167	3.4
445.29691	0.5
447.31122	100.0
448.31461	8.8
463.64990	0.3
487.34641	0.4
505.35413	29.6
506.35968	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	505.257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15762	0.5
59.01242	3.8
71.01244	1.3
75.24682	0.7
78.95774	25.8
91.52036	0.5
95.96645	0.6
96.96837	2.2
113.99460	0.6
117.22995	0.6
121.02840	0.7
152.99489	43.3
169.05365	0.6
171.00537	1.9
227.03259	5.9
241.14418	0.8
245.04221	3.6
259.20544	0.9
275.20255	1.1
277.21713	100.0
278.22101	8.4
401.00504	0.6
413.21002	0.8
505.25739	61.8
506.25961	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	505.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31167	0.4
59.01241	1.6
64.48998	0.4
70.64312	0.4
71.29695	1.0
73.52824	0.4
78.95775	7.9
93.30570	0.5
96.96856	0.8
99.04725	0.4
148.39944	0.4
152.99484	15.6
168.94043	0.4
171.00526	1.6
173.85545	0.4
184.00105	0.8
227.03174	2.1
245.04205	2.1
248.07994	1.2
259.20706	0.7
277.21710	100.0
278.22037	5.6
406.79901	0.5
498.29449	0.5
505.25699	25.4
506.26031	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	505.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28605	0.6
52.75459	0.7
57.03330	2.4
59.01248	100.0
60.01588	0.9
69.03319	8.3
70.14188	1.7
70.14581	1.4
71.01251	7.4
73.02829	2.7
83.01244	1.1
84.01546	0.6
85.02834	3.7
87.04403	1.4
89.02328	2.0
89.63208	0.7
95.01260	0.9
101.02312	7.5
111.04397	1.7
113.02335	3.2
119.03441	0.8
123.08068	1.0
124.96151	0.8
138.06747	4.4
143.03445	0.8
153.09114	10.5
158.74677	0.8
159.02879	1.0
161.04478	4.1
163.11230	1.4
191.59189	0.8
191.80266	0.7
200.31062	0.7
203.05632	0.8
205.12369	2.8
219.60258	0.7
223.13408	4.7
231.08690	9.2
241.14421	46.0
242.14894	2.4
296.69910	0.8
327.09351	0.8
331.35245	0.8
385.18707	7.7
403.20081	1.9
445.20804	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	505.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93781	0.6
55.72002	0.5
57.03274	1.0
58.00406	1.7
59.01193	50.9
60.01535	1.3
61.98656	1.4
69.03299	0.7
71.01197	2.3
71.04868	0.8
73.02806	5.9
78.80357	0.5
79.05329	1.5
79.05756	0.6
83.04840	1.6
84.15077	0.5
85.06396	2.3
87.04315	0.6
95.04864	1.1
97.06464	8.1
97.22672	0.5
101.05933	0.9
137.09554	0.6
155.07208	1.7
156.00537	0.5
170.09641	0.7
180.08128	2.8
198.09158	47.3
199.09523	8.0
209.11688	0.7
224.39424	0.6
225.31726	0.6
267.67709	0.5
278.52286	0.5
282.75229	0.7
287.20035	0.8
288.20529	0.6
300.02988	0.6
300.80353	0.5
301.03494	0.6
329.24924	0.9
332.15927	0.5
340.88205	0.6
343.25983	1.0
371.29373	0.9
373.27402	7.6
374.27628	0.6
385.27368	1.1
387.29025	8.9
389.30981	0.8
393.27805	1.1
397.27396	1.0
399.28998	11.2
411.29025	4.5
415.20270	1.4
417.30032	6.1
429.30099	3.3
445.29205	1.1
446.29962	3.0
447.31079	100.0
448.31546	6.9
469.33289	0.7
495.64502	0.6
505.35352	32.8
506.35770	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	505.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84145	0.6
57.03323	1.7
59.01249	100.0
59.68435	0.7
60.01590	0.9
63.26813	0.6
63.76823	0.6
69.03324	8.1
69.47527	3.2
69.47940	1.3
69.79355	0.6
71.01250	7.4
71.80034	0.6
73.02822	4.1
83.01257	0.9
85.02828	4.2
87.04411	1.6
89.02332	2.7
93.03340	0.6
95.01282	0.9
95.04934	1.0
97.02817	0.8
98.20507	1.2
101.02312	7.5
111.04421	1.4
113.02313	4.8
119.03397	1.2
119.05036	0.6
119.63488	0.6
126.32249	0.6
132.94846	0.6
138.06740	3.9
143.03407	1.0
148.90147	0.6
151.72597	0.7
153.05521	0.6
153.09128	13.1
160.03984	1.3
161.04448	4.3
163.11270	1.1
179.05574	1.3
205.12256	4.4
220.13461	0.6
223.13309	4.3
231.08693	5.4
241.14407	41.5
242.14825	1.8
385.18622	5.8
385.23099	1.0
386.19128	0.7
403.19913	1.3
445.20734	10.3
446.21063	1.2
476.23529	0.7
513.10547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.5
57.03316	4.4
58.00467	0.6
59.01247	71.1
69.03323	14.6
69.18275	2.7
69.18708	2.2
70.03687	0.5
71.01254	9.3
72.99175	0.6
73.02817	8.4
74.39432	0.4
75.00753	0.7
80.84783	0.4
83.01261	2.5
85.02818	3.8
87.00746	0.7
87.04396	3.4
89.02317	2.1
89.65218	0.5
93.03322	0.5
95.01272	0.6
95.04907	0.7
97.02842	1.5
97.06441	0.6
99.00744	0.5
99.04439	0.5
101.02321	8.7
109.06473	1.1
111.04419	0.8
113.02353	4.2
119.03405	0.7
119.04873	0.7
123.08012	0.8
125.02323	0.7
131.03401	0.7
138.06758	8.3
139.07414	0.5
142.15456	0.6
143.03387	0.7
149.04398	0.6
152.08400	0.5
153.09114	21.8
155.10710	0.7
161.04498	2.8
163.03905	0.6
163.11214	1.3
179.05527	0.8
190.09932	0.6
195.05060	0.5
203.05591	1.6
205.12263	4.7
211.13431	0.5
223.13356	4.8
231.08694	1.9
241.14407	100.0
242.14755	5.3
282.74661	0.5
327.08517	1.1
385.18790	3.2
403.19711	1.5
445.20691	6.5
446.21210	0.7
505.13651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.0
58.03136	0.6
59.01250	20.7
61.51934	0.6
61.98698	1.1
65.00189	4.3
67.01752	5.2
68.52279	0.6
68.99686	0.7
69.03327	1.5
71.01253	9.6
71.52468	1.0
72.99168	1.5
73.02816	15.8
75.25500	0.6
78.95778	9.5
83.01260	3.7
83.04886	0.8
85.02815	4.7
87.00727	1.0
89.02313	2.5
93.03357	1.6
95.01301	0.6
95.04897	0.8
96.96822	0.8
97.02827	9.6
97.06385	0.6
99.00749	1.0
99.04389	7.3
101.02313	6.7
111.00758	35.3
113.02335	1.9
114.98608	0.6
115.03855	1.0
119.04908	77.1
120.05235	1.4
121.02843	2.1
123.04414	0.6
132.05675	5.0
132.95250	0.6
134.03619	3.3
135.04385	0.7
135.77515	0.6
136.98734	0.9
138.03694	0.6
143.03401	38.6
145.06453	1.5
146.40279	0.7
147.08057	1.0
151.00369	0.9
152.01047	1.0
152.99498	1.7
154.99762	0.7
159.08038	4.1
161.04465	1.8
163.03975	1.6
166.72841	0.6
169.01328	40.2
170.01553	1.3
171.00563	1.1
173.05873	0.6
173.09367	0.6
183.78291	0.6
187.02368	2.8
188.98994	0.6
199.11169	0.7
203.14345	1.4
217.12283	38.1
218.12682	1.8
245.15401	1.4
255.17426	0.7
257.00845	0.7
257.11914	0.9
272.02023	2.8
273.18655	6.4
283.06125	1.5
286.03635	1.5
287.04214	3.6
300.02725	1.3
302.06644	4.9
317.17557	100.0
318.17838	7.9
325.18674	0.7
447.27170	0.7
505.16849	4.4
505.34036	9.5
506.12634	0.7
506.25128	6.9
506.31827	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57686	1.3
55.01754	2.4
57.03314	6.9
58.00471	1.8
59.01250	63.0
61.98698	2.1
62.35743	1.2
65.00196	5.2
67.01765	6.0
69.03349	1.7
71.01253	42.1
72.99204	1.7
73.02817	28.0
78.95842	1.4
80.20971	1.7
83.01259	7.9
83.04871	1.5
85.02824	21.4
85.03303	2.4
87.00771	2.4
89.02317	12.0
93.03364	6.0
95.01276	3.3
97.02825	10.5
98.20644	3.2
99.00773	4.8
99.04366	7.0
101.02322	28.1
103.03867	2.4
108.02047	2.6
111.00761	40.8
113.02320	16.5
119.03435	5.9
119.04914	78.3
120.05298	3.4
121.02861	5.2
125.02365	2.2
132.05714	6.3
134.03635	6.2
135.04413	1.9
136.07584	3.7
137.02370	4.5
143.03397	43.6
145.06436	1.8
147.00829	2.0
149.02339	19.9
150.03061	2.0
151.00232	3.3
152.01051	3.2
159.02953	2.2
159.08070	3.4
160.04080	1.6
161.04433	11.4
163.03906	4.3
164.04691	15.4
165.01976	2.7
169.01331	40.9
171.10229	1.6
175.00294	2.7
177.01799	1.8
179.07059	2.1
183.13879	2.8
187.02393	2.9
190.02678	2.7
194.02196	2.0
205.05025	5.0
209.04402	3.3
217.12276	43.8
218.12619	1.9
223.06067	18.5
257.15475	2.6
273.18604	5.9
275.68982	1.5
283.13202	2.0
285.14966	2.0
300.02850	2.5
301.06931	1.7
301.14395	1.8
317.17557	100.0
318.17801	9.3
343.15479	1.7
343.28641	8.7
343.32297	1.8
371.15121	7.4
383.18665	3.0
386.17484	4.2
387.25247	1.6
401.19681	26.6
402.20599	1.9
461.21872	15.9
462.20450	10.5
505.21942	15.5
505.27823	5.8
505.34015	48.0
506.23584	2.2
506.34982	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	3.1
56.44186	1.3
57.03325	5.1
59.01249	90.0
61.98690	3.0
63.02263	2.9
65.00192	5.9
68.56186	1.4
69.03320	2.6
69.34905	6.9
69.35331	6.8
71.01251	34.7
71.04885	2.3
72.99169	4.1
73.02825	9.7
75.00749	2.3
83.01228	8.8
85.02812	18.1
87.00763	4.2
89.02322	10.6
91.01780	2.3
93.03338	5.3
95.01268	5.3
97.02832	3.2
98.19834	3.2
99.00765	4.7
99.04385	2.1
101.02319	22.8
107.01290	8.8
107.04942	2.3
108.02071	7.2
109.02835	3.1
111.00761	3.4
113.02321	16.5
117.03336	1.7
118.75636	1.4
119.01254	7.0
119.03406	2.4
119.04912	7.5
121.02843	6.6
123.04363	2.9
125.02345	4.0
129.09100	2.1
131.03485	1.5
134.03624	17.8
135.04442	5.0
136.01572	2.3
137.02347	8.2
137.05951	4.2
143.03389	2.8
146.08177	2.7
147.00781	6.0
147.04411	3.9
149.02359	16.4
149.05939	10.6
150.03085	4.8
151.00262	31.0
151.03947	2.2
152.01024	3.3
153.01816	2.6
159.02972	1.8
161.02362	1.7
161.04521	3.6
162.03197	1.6
163.03929	5.2
164.01076	3.3
164.04703	17.1
165.01843	4.9
169.01328	3.0
171.08067	1.5
175.00272	35.2
176.01038	5.1
177.01852	5.7
177.05389	1.5
179.03453	2.3
179.07057	3.4
180.04175	1.9
184.51138	1.6
189.01816	2.2
190.02631	82.2
191.03392	11.8
194.02121	1.8
195.06606	4.7
196.00012	3.1
205.04987	79.9
206.05466	4.4
207.06544	2.0
208.03844	2.3
209.04469	5.5
221.08080	2.8
223.06087	24.1
225.07562	1.6
232.66832	1.9
241.10562	2.0
241.14252	1.7
251.05528	3.3
265.07199	4.2
269.04535	2.5
271.01120	17.0
272.02029	11.2
277.12225	2.7
283.19116	3.2
286.03488	27.3
287.04434	6.1
300.02594	2.9
301.07184	87.0
301.20209	3.9
302.06998	13.0
305.10358	1.9
317.66129	1.6
343.07758	1.7
361.29443	3.9
427.23599	2.0
445.24527	14.5
463.25452	25.2
464.11890	9.6
464.25693	2.8
476.28513	1.7
505.17145	100.0
505.26529	71.7
505.33655	15.3
506.12738	7.7
506.18219	5.4
506.26926	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	4.7
57.71571	4.6
58.23909	4.3
59.01247	79.0
69.03312	12.6
69.52718	32.3
70.90257	5.5
71.01247	16.7
72.97408	4.1
73.02805	4.6
83.71970	4.9
85.02818	10.7
87.00729	5.1
89.78226	4.7
96.95876	5.0
101.02321	11.9
113.02338	6.2
119.03444	5.0
121.02834	100.0
129.01831	6.1
135.04413	43.8
146.98837	4.9
153.09116	12.1
161.04485	15.3
163.03893	6.8
170.31573	4.7
179.05544	9.9
241.14432	67.9
318.07706	4.8
322.80850	5.9
323.09869	12.3
445.13620	9.1
445.20523	5.2
505.15503	8.6
506.05042	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	505.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63134	0.2
51.17623	0.2
55.01744	0.4
57.03315	1.6
59.01249	7.3
65.03828	0.7
69.03329	0.4
71.01250	6.4
71.04870	0.2
71.36794	0.3
72.01566	0.2
72.33633	0.2
72.99167	0.5
73.02812	1.4
75.00750	0.4
81.03374	0.2
83.01266	0.9
85.02814	4.3
85.03293	0.3
85.06509	0.2
87.00758	0.6
89.02299	1.2
93.03329	59.3
94.03690	1.3
94.06651	0.2
95.01271	1.2
97.02856	0.2
97.61314	0.2
99.00735	0.5
101.02316	2.4
108.02031	2.7
108.04443	0.4
109.02835	1.2
111.00750	0.4
111.08008	0.3
111.95367	0.2
112.01553	0.3
113.02329	4.8
114.02625	0.3
119.01250	0.3
119.03387	0.4
119.04903	0.5
121.02812	0.7
123.08106	0.3
124.01543	0.2
125.02306	0.6
129.01843	0.2
137.02335	100.0
138.02676	2.6
143.03325	0.4
149.02348	2.1
152.01047	1.9
153.01830	0.8
153.09103	0.2
155.10637	0.3
160.03899	0.2
161.04462	0.6
163.03838	0.3
164.04681	2.1
175.00270	2.1
179.03360	0.3
179.07127	0.3
183.13855	0.2
187.13251	0.3
189.05479	0.2
190.02643	5.4
191.03133	0.3
200.37474	0.2
205.05000	4.3
205.12250	0.3
206.05453	0.3
223.06084	1.5
271.02393	0.3
285.14783	0.3
288.74936	0.3
299.07639	0.3
300.02832	0.5
315.07272	0.3
359.27911	0.4
360.28363	0.4
361.29288	0.9
365.79184	0.2
367.10333	2.7
368.10794	0.5
385.13010	0.2
463.25616	0.4
504.32593	3.2
505.13120	1.4
505.20886	0.4
505.26379	1.7
505.33469	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	505.0987
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.81238	0.2
58.70338	0.2
59.01247	7.3
61.98692	1.4
63.02269	0.5
65.00182	1.5
69.27040	1.9
70.16031	0.2
71.01246	1.5
72.99168	0.3
73.02825	0.4
83.01254	1.4
85.02820	1.0
85.40374	0.2
87.00764	0.2
89.02282	0.6
91.01778	0.6
93.03329	0.5
99.00760	0.2
101.02323	0.7
107.01275	2.9
107.11963	0.2
108.02057	2.2
109.02856	1.8
113.02336	0.5
119.01259	0.3
119.03426	0.2
121.02834	2.0
124.01530	0.3
125.02330	0.5
135.00781	1.3
135.04417	0.4
137.02411	0.3
147.00702	0.2
147.04434	0.2
148.01596	1.8
149.02339	0.3
151.00275	10.3
152.00732	0.4
159.04359	0.3
161.02345	0.3
161.04469	0.4
162.06213	0.2
163.00267	3.2
163.03949	0.3
164.01048	0.8
164.37064	0.2
165.01836	0.2
169.01317	0.7
171.04416	0.3
173.02420	0.2
174.03175	0.2
175.03920	0.4
178.99779	4.9
180.00151	0.2
180.86536	0.2
183.04434	0.4
187.03922	0.4
188.04718	0.3
190.99847	0.4
192.00572	0.5
193.01239	0.2
198.03207	0.2
199.03918	1.5
201.01764	0.3
201.05440	0.5
203.03467	0.8
211.03909	2.0
211.55406	0.2
213.01901	0.5
215.03427	1.0
216.04208	0.8
223.13142	0.2
226.02692	2.2
227.03435	3.9
228.04065	0.5
229.01459	0.5
229.04962	0.7
231.02957	0.3
239.03506	0.4
243.02953	14.1
244.03477	1.2
245.04437	1.4
253.99698	0.4
254.02139	2.9
255.02954	29.2
256.03439	2.0
257.04599	0.2
271.02457	67.9
272.02905	5.7
273.03992	1.1
283.02423	1.5
299.02084	2.2
300.02722	100.0
301.03458	44.8
302.03882	2.8
343.04556	0.6
385.18329	0.4
445.20102	0.4
463.02948	0.2
463.08936	3.1
464.09045	0.3
505.09833	63.6
506.10178	6.3
506.17523	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	18.2
65.00237	0.8
65.52403	0.7
69.16869	3.7
69.17290	4.0
71.01247	4.0
73.02804	1.6
75.00783	0.7
82.32334	0.7
85.02810	2.1
87.00768	1.0
89.02295	1.2
91.01805	0.9
93.03333	90.1
93.22711	0.7
94.03659	2.0
96.98949	0.7
97.02838	0.9
101.02328	2.2
108.02045	1.3
111.00716	1.0
113.02325	1.3
119.01254	3.0
119.03430	1.0
119.04916	0.8
121.02837	3.6
136.01523	1.0
137.02339	100.0
138.02652	2.3
139.00214	0.9
147.00778	1.9
149.02319	5.3
150.03116	1.5
151.00215	0.9
151.03932	5.4
152.01126	0.7
163.03854	1.4
164.04655	4.4
165.01843	1.2
169.06575	0.9
175.00267	13.4
176.01062	4.5
179.07065	1.6
190.01302	0.5
190.02640	36.5
191.03377	7.2
195.08154	3.0
205.05000	39.7
206.05402	1.4
208.03632	0.7
209.04535	2.0
211.11255	2.3
213.09155	6.6
213.61758	0.7
223.06075	6.0
234.28958	0.8
241.14302	1.0
247.06209	1.1
251.05609	0.8
255.02943	1.7
268.77637	0.7
271.02536	2.6
273.11380	3.2
300.02765	5.5
301.03433	4.6
353.08762	10.9
354.08981	1.0
367.10318	50.6
368.10657	3.7
376.53900	0.8
378.26917	0.7
384.07596	0.9
505.10413	3.6
505.13300	4.0
505.21326	2.0
509.68790	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	5.2
61.98701	100.0
75.23089	1.2
157.06439	1.2
244.78859	1.2
267.23251	5.3
268.23584	8.4
271.58521	1.4
275.88974	1.3
357.93393	1.3
404.34976	1.3
444.32730	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	505.0985
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03308	1.6
59.01246	32.3
63.02256	0.9
65.00172	2.7
69.26410	3.0
69.26826	6.0
71.01237	4.5
72.99194	1.1
73.02808	1.9
89.02322	1.2
93.03310	1.7
101.02317	2.0
107.01262	2.3
108.02045	10.1
109.02860	4.8
109.99970	10.8
111.00739	3.9
113.02312	1.4
119.01296	1.4
121.02856	2.2
123.00766	3.7
125.02313	2.0
135.00755	2.6
136.98737	1.7
137.02310	1.8
137.99477	3.5
139.00250	9.8
147.00735	2.9
148.01573	1.6
149.02321	3.2
151.00279	7.6
151.03856	1.4
152.01067	10.7
153.01819	3.5
161.02257	1.1
163.00244	1.5
163.03912	2.5
165.98975	11.6
166.99776	5.1
173.06035	1.0
175.00276	4.2
177.01863	6.2
178.99832	4.3
183.04375	2.7
191.03323	1.1
192.00568	1.3
193.01328	1.6
195.06564	1.5
195.18254	1.2
195.27971	1.0
199.03952	1.6
201.05559	1.2
206.99342	1.4
207.02885	1.5
211.03923	2.9
226.02606	1.9
227.03406	6.9
228.04227	1.1
229.05069	1.3
243.02951	12.6
245.04469	1.7
254.02097	2.4
255.02977	22.3
256.03571	2.2
257.04520	2.2
271.02454	36.7
272.03137	7.1
273.04004	1.8
283.02368	5.3
285.04007	1.2
299.01935	2.6
300.02728	76.5
301.03488	64.3
302.03931	3.5
315.07095	1.3
339.07117	4.7
380.62988	0.9
439.47690	1.0
445.24814	1.7
461.21619	4.0
505.09854	100.0
506.10211	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	504.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	47.9
61.98690	3.0
69.03320	1.1
71.01251	31.2
71.52526	1.3
73.02814	42.7
83.01257	16.6
85.02827	1.9
89.02320	2.5
97.02843	1.3
101.02319	28.8
113.02339	4.0
125.02337	1.8
131.03368	2.7
143.03369	1.5
161.04462	3.6
164.83490	3.1
184.11938	1.3
198.05563	1.3
212.07220	1.2
213.07722	2.9
244.58083	1.2
273.14911	1.9
282.14966	100.0
283.15350	6.4
284.16425	1.4
300.15994	2.7
301.14584	2.3
372.25943	1.2
399.27979	1.6
426.80865	1.2
445.29584	1.5
446.30255	1.7
447.13675	2.1
447.31042	4.3
504.22449	1.6
504.34106	2.0
505.20746	2.8
509.44553	1.4
522.24445	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24391	0.3
57.03333	0.3
59.01241	4.3
61.98690	0.8
69.80487	1.8
73.02789	0.5
83.04884	0.6
85.06459	0.7
97.57294	0.3
106.04113	1.9
107.04890	1.2
108.02039	0.4
113.34161	0.3
121.02819	0.9
134.03621	4.4
137.02296	1.9
138.03120	0.4
143.04781	0.4
147.04379	1.1
153.66487	0.3
159.03296	0.4
159.08051	1.6
161.05988	0.4
162.01834	0.5
166.02643	3.1
171.43787	0.3
172.04013	0.3
187.07561	2.2
188.08336	2.6
198.05498	1.2
198.09167	2.9
199.07596	0.4
203.06993	0.8
212.06990	0.8
212.65926	0.4
213.07806	1.4
214.56320	0.3
229.15971	4.1
244.14577	1.1
255.13828	0.5
282.14978	20.2
283.15308	1.6
300.16016	100.0
301.16397	7.2
342.17084	2.9
445.29526	2.1
446.29849	2.5
503.33176	0.4
504.34335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3011
Annotation	Spongianolide B
Peak:m/z	Relative Intensity
57.03323	2.1
57.24611	0.4
59.01247	3.6
61.98696	0.4
69.03326	7.1
70.54161	1.2
70.54527	0.5
71.01248	1.0
71.04861	0.7
73.02810	0.4
78.49397	0.3
81.03317	0.5
85.02814	0.6
87.01538	0.4
87.77689	0.4
93.03315	0.5
95.04942	0.6
107.04899	3.6
108.01969	0.4
109.06470	59.1
110.06794	1.5
125.09605	1.1
128.89850	0.4
145.17876	0.3
187.09660	0.6
209.11899	0.5
247.20653	0.9
247.22800	0.5
259.20602	0.5
261.13306	0.4
287.23627	0.5
289.21713	2.7
313.21826	0.9
327.23193	1.5
329.24832	24.9
330.25177	2.2
341.24667	0.5
355.26486	1.2
357.27963	20.0
358.28354	1.5
365.24609	0.8
381.24316	0.5
383.25870	12.8
384.26212	1.3
385.27582	0.6
397.27600	0.4
401.26923	55.3
402.27258	5.2
441.30057	0.6
445.25467	17.7
446.25833	2.3
459.31140	21.6
460.31451	2.5
503.30109	100.0
504.23306	0.8
504.30438	11.8
520.68335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3377
Annotation	Sublateriol A
Peak:m/z	Relative Intensity
57.03314	0.9
58.00461	0.8
59.01250	7.9
61.98695	0.4
67.27558	0.2
69.03021	0.2
69.03332	1.5
71.01248	4.3
71.04881	0.4
71.52242	0.3
72.99162	0.6
73.02817	21.6
74.03156	0.4
81.03316	0.6
83.04892	13.1
84.05197	0.2
85.02840	1.1
85.06457	18.0
86.06789	0.2
87.00732	0.5
87.04398	1.1
88.69470	0.2
89.02303	1.0
93.03327	0.6
95.04898	0.4
97.02818	0.9
97.06473	1.6
99.04395	0.6
101.02329	0.7
101.05948	0.3
107.04895	1.3
109.06453	1.5
111.07987	0.4
113.02309	0.5
115.03879	0.4
117.05458	0.8
119.03372	0.4
119.04910	0.7
121.02795	0.4
121.06466	0.4
123.08038	0.3
124.05179	0.4
133.10054	0.3
135.04465	0.3
137.05910	0.3
137.09615	0.6
149.02353	0.5
152.08318	1.0
156.92848	0.2
161.04463	0.3
161.09630	0.3
163.11046	0.3
164.04623	0.2
173.09612	0.3
181.12280	1.5
187.11293	0.3
189.12700	0.3
190.02582	0.5
198.09171	1.0
203.14348	0.4
205.04916	0.3
205.15944	0.5
213.12769	0.3
217.15939	1.1
220.06993	0.4
223.06105	0.4
229.15889	0.5
231.17581	0.5
233.15366	0.4
245.19037	0.3
255.17476	1.7
256.02164	0.3
257.18903	0.3
259.20691	1.2
269.19043	0.8
270.04147	0.4
271.04477	0.8
271.20618	0.5
273.15408	0.4
273.18591	3.0
274.18793	0.3
281.19019	0.4
283.20700	0.4
285.18512	0.3
286.25357	0.2
287.20142	14.1
288.20517	0.9
289.21671	0.7
299.17026	0.3
299.20087	1.5
301.21680	0.5
303.23203	0.3
311.20258	1.1
315.23047	0.3
317.21185	0.7
319.22516	0.5
323.25851	0.7
327.23453	0.4
329.21030	0.8
329.24869	0.8
335.23669	0.2
339.12726	0.2
340.12573	0.4
341.12927	0.5
341.24509	0.3
347.22174	1.3
353.24823	6.7
354.25143	0.3
355.26465	0.7
357.27914	1.3
365.24588	0.5
367.22351	0.3
367.26425	3.5
368.26620	0.5
369.27881	0.8
371.25830	3.6
379.26346	1.1
381.27747	0.6
383.25726	0.5
385.23120	0.5
385.27515	4.1
386.27679	0.2
387.29156	0.4
391.26395	0.5
395.25513	0.4
397.22714	0.4
397.27475	4.7
398.27527	0.4
399.29135	0.3
401.26978	0.3
409.27502	1.9
410.27765	0.4
413.26608	0.3
415.28491	2.8
427.28564	2.8
443.28052	0.4
445.29538	100.0
446.29880	10.4
455.31882	0.5
459.30127	0.2
461.29077	0.4
467.31528	0.4
485.32645	0.6
503.17239	1.0
503.33868	18.7
504.34265	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01602	1.3
61.01676	1.0
61.98714	0.5
64.53780	0.4
69.49071	3.4
71.01263	1.2
73.02848	0.8
73.05573	0.4
79.13963	0.5
79.81526	0.5
83.01262	0.5
85.02859	1.0
87.00774	0.4
89.02319	0.8
101.02340	1.6
111.00786	1.1
113.02332	1.2
131.28801	0.4
142.96533	0.4
183.01112	0.4
233.61810	0.4
270.04114	1.0
287.20145	0.5
383.24231	0.7
401.25558	1.7
503.32574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	3.0
57.03321	3.3
57.64341	1.3
59.01251	100.0
60.13961	1.3
67.38349	1.5
71.01254	27.0
73.02819	8.2
77.68256	1.3
83.01266	3.7
83.47408	1.4
85.02337	2.5
85.02816	20.8
85.06443	1.6
87.00771	1.7
89.02310	8.1
93.03330	2.1
95.01267	4.4
97.02874	1.5
99.00715	2.8
101.02325	11.2
112.68021	1.5
113.02324	15.9
119.03377	1.6
125.02336	2.2
133.60187	1.3
137.02332	5.3
143.03348	2.2
147.56523	1.7
161.04428	5.4
305.10373	1.4
319.82013	1.5
359.28159	1.9
365.19559	2.3
383.20694	2.6
399.23672	5.3
400.43521	1.5
433.28308	1.8
503.32355	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	503.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67877	0.5
52.04744	0.5
57.03292	0.5
59.01248	100.0
60.01582	1.1
69.03315	0.5
69.20734	3.0
69.21162	2.5
71.01257	5.2
73.02816	8.6
73.03196	0.7
74.82008	0.6
78.95780	1.0
83.01249	0.8
83.04890	4.0
85.02834	1.7
85.06461	5.4
87.64700	0.6
89.02330	1.8
93.03323	0.7
97.06477	0.7
101.02338	3.4
109.06493	1.7
113.02341	2.0
117.05437	0.6
119.03414	0.6
125.02370	0.6
161.04504	1.2
198.09148	10.3
198.10782	0.8
204.10829	0.5
213.43976	0.5
222.12692	0.5
255.17563	1.1
273.18777	0.8
287.20145	5.0
299.20270	0.9
341.12387	0.8
347.22589	0.6
353.24719	2.7
357.28079	0.9
367.26434	1.0
371.26025	1.8
383.24271	3.0
385.27765	1.8
397.27606	2.2
401.25424	6.5
409.27802	0.8
415.28491	1.0
427.28577	1.1
443.26401	6.7
444.26895	1.0
445.29596	33.9
446.30002	2.7
459.31680	0.6
503.17862	0.5
503.33984	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	503.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02011	0.8
59.01240	2.2
61.98687	1.4
63.30726	0.9
70.00444	2.1
70.00864	2.8
71.01244	0.9
78.95770	46.8
81.36739	0.9
87.04352	1.0
92.97910	0.8
96.96829	3.7
98.19781	0.9
151.15314	0.7
152.99484	54.6
153.99765	1.1
154.57774	0.8
171.00552	17.2
227.03181	2.4
231.21118	31.9
232.21481	1.9
245.04276	100.0
246.04686	2.5
275.20145	43.9
276.20520	2.9
316.40906	1.0
353.20621	1.4
354.03406	0.9
354.96527	0.9
387.93280	1.0
503.24109	24.1
503.31750	2.0
503.34152	1.6
504.24384	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18348	0.4
57.03317	0.6
57.25237	0.5
57.91384	0.4
59.01250	100.0
60.01582	1.0
66.81233	0.4
69.25854	1.1
69.26261	3.2
71.01254	4.1
72.99173	0.4
73.02831	1.3
75.00756	0.6
79.14502	0.4
83.01278	1.1
85.02812	2.5
87.00786	0.8
89.02322	1.8
90.98463	0.6
101.02317	2.9
111.00838	0.5
113.02339	2.6
119.03408	0.4
119.04951	0.9
122.90550	0.5
124.67160	0.5
137.02379	0.7
161.04506	0.6
212.74358	0.4
229.39651	0.5
269.04654	0.8
339.12912	0.5
341.12988	0.7
443.23029	3.1
461.24246	1.0
503.25092	2.2
503.32333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18348	0.4
57.03317	0.6
57.25237	0.5
57.91384	0.4
59.01250	100.0
60.01582	1.0
66.81233	0.4
69.25854	1.1
69.26261	3.2
71.01254	4.1
72.99173	0.4
73.02831	1.3
75.00756	0.6
79.14502	0.4
83.01278	1.1
85.02812	2.5
87.00786	0.8
89.02322	1.8
90.98463	0.6
101.02317	2.9
111.00838	0.5
113.02339	2.6
119.03408	0.4
119.04951	0.9
122.90550	0.5
124.67160	0.5
137.02379	0.7
161.04506	0.6
212.74358	0.4
229.39651	0.5
269.04654	0.8
339.12912	0.5
341.12988	0.7
443.23029	3.1
461.24246	1.0
503.25092	2.2
503.32333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20428	1.0
57.03316	2.8
59.01249	90.0
60.01589	1.4
69.03318	1.4
69.97986	5.2
71.01253	29.2
73.02816	20.7
75.00745	1.9
77.54836	1.1
80.69702	1.3
81.03316	2.0
83.01265	8.0
85.02822	9.1
87.00758	6.7
89.02306	8.7
91.01745	1.2
93.03355	3.6
95.01256	1.4
97.02850	4.0
97.87794	1.2
99.00773	2.3
101.02319	21.7
105.01823	2.4
105.03354	1.4
107.91743	1.3
109.02892	1.9
111.00723	2.0
111.04375	1.3
113.02335	6.3
116.92690	1.4
119.01282	1.8
119.03402	3.7
119.04896	1.2
121.02856	2.9
123.04402	11.6
125.02348	1.2
125.83598	1.3
131.03419	1.3
135.04453	1.2
135.06528	2.2
137.02312	2.8
137.05992	3.3
137.09560	1.9
143.03412	1.9
147.00793	2.4
149.02339	12.3
149.04384	2.4
149.09636	1.5
151.03862	1.3
151.07622	1.5
152.01022	1.6
160.01598	1.5
161.04510	5.5
163.03946	2.7
164.04703	9.0
165.03955	15.3
175.00259	14.9
179.07120	2.5
179.10678	1.6
190.02650	40.7
191.03351	3.8
191.05481	2.1
192.05899	1.6
203.10773	2.5
205.04982	38.8
206.05466	2.5
221.11772	100.0
222.12157	3.8
223.06052	21.5
265.07147	4.9
297.08469	1.7
329.09247	1.3
365.16043	2.0
383.17447	2.5
425.18167	2.8
443.19193	10.0
459.14716	1.7
503.17844	44.0
504.18073	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	503.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	17.7
71.01254	8.0
71.28918	1.2
71.29247	1.0
71.45070	0.9
73.02812	2.9
81.03354	1.0
85.02811	3.9
85.74825	1.0
87.00760	1.4
89.02328	6.5
92.41552	0.9
101.02336	4.2
113.02306	3.4
119.01248	4.5
119.03399	1.8
121.02827	3.1
131.94925	1.0
135.06503	5.3
137.02307	1.4
144.57642	1.1
147.00786	3.6
147.04329	1.6
149.02332	18.7
151.03918	1.3
152.01079	1.4
163.03923	2.5
164.04692	21.8
175.00278	25.1
176.00728	1.5
179.06987	2.5
187.80847	1.0
190.02637	75.0
191.03070	3.2
205.04991	92.6
206.05396	5.4
208.03589	1.8
221.08093	2.1
223.06070	42.6
224.06322	2.4
237.07738	1.2
265.07166	5.8
305.13882	5.4
459.18723	1.4
488.15555	1.2
492.58618	1.1
503.17664	100.0
504.18033	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	503.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81429	0.6
57.03320	1.2
57.86788	0.7
57.87111	0.5
58.00461	0.8
59.01249	23.9
67.51411	0.6
69.37697	3.6
69.38103	1.2
71.01254	13.1
72.99177	1.6
73.02802	4.1
75.00737	1.1
75.73259	0.6
77.95473	0.7
83.01228	1.6
83.94975	0.5
85.02814	5.2
87.00726	1.2
87.04391	1.4
89.02308	5.6
91.01743	1.4
91.05389	0.9
93.03344	3.0
95.01300	0.8
96.95897	0.8
98.20665	1.2
99.00761	1.3
101.02318	5.8
109.02811	0.9
111.00774	1.7
113.02322	3.4
117.05447	1.1
119.01272	5.7
119.03406	1.9
119.04905	1.0
121.02837	5.7
129.01791	1.0
133.07504	0.6
134.03613	1.3
135.04391	2.0
135.06517	5.3
137.02344	1.2
147.00775	5.0
147.04401	1.3
149.02345	27.3
152.01033	1.5
153.09058	0.8
158.34459	0.6
161.02293	1.1
161.04465	1.8
162.03104	0.9
163.03885	2.7
164.04689	21.6
165.01866	1.6
165.05226	1.0
171.07196	0.6
175.00273	38.8
176.00900	1.5
177.01894	0.9
179.03310	0.8
179.05644	0.7
179.07057	2.2
189.01779	1.1
190.02634	92.0
191.03178	5.5
191.04810	0.7
193.01291	0.7
194.02122	0.8
204.60400	0.7
205.04994	83.0
206.05496	4.5
207.02954	1.3
208.03627	1.5
209.04457	1.5
221.08130	1.8
223.06065	38.0
224.06487	1.3
225.14970	0.6
253.09026	1.1
255.12331	0.8
265.07071	5.7
265.09167	0.7
266.07483	0.8
295.08411	1.1
295.13409	0.7
297.11765	1.4
305.13959	1.6
306.79248	0.7
325.09232	1.3
367.10168	0.9
387.20322	1.5
471.89230	0.6
488.15430	0.8
503.17706	100.0
504.18207	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	503.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70732	1.3
54.82341	1.1
57.03320	7.4
59.01252	24.0
69.03312	1.4
71.01252	10.8
72.99169	1.2
73.02813	3.4
75.00747	1.7
79.98683	1.1
81.03347	2.0
82.92075	1.2
83.01264	6.3
85.02818	4.2
89.02335	3.4
95.01280	1.8
95.04884	1.9
96.95908	2.2
99.00774	2.9
101.02332	8.4
103.00256	2.1
108.02004	1.2
109.06458	4.1
111.00764	2.4
111.04421	1.7
113.02336	6.7
119.03340	1.5
121.53497	1.3
123.08002	1.3
125.02316	4.2
127.00269	4.4
135.08060	6.5
137.05905	1.4
137.09608	4.2
138.06758	23.6
139.00282	2.0
149.02338	3.5
150.06784	1.2
152.08348	1.6
153.09119	64.6
154.09468	1.4
157.01346	1.8
161.04489	2.0
164.04636	3.4
175.00235	2.2
175.11200	2.6
179.05441	1.4
183.13802	1.3
190.02690	6.3
193.12291	7.3
205.05060	5.8
211.13342	22.4
223.06062	5.1
237.05853	1.4
255.12354	100.0
256.12634	4.3
265.06891	2.3
279.12378	22.7
280.12677	1.3
297.08276	1.7
321.13385	10.2
351.14462	1.4
354.48907	1.3
479.10950	1.3
503.18478	11.9
504.18741	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78824	1.4
57.03313	2.0
59.01246	22.0
60.70934	1.4
69.32552	8.2
69.32977	6.8
71.01250	13.1
78.59100	1.5
85.02821	2.5
89.02312	8.8
91.01788	1.7
98.20631	2.7
101.02331	6.0
109.02798	2.5
113.02324	3.8
113.98413	1.7
119.01270	3.5
121.02832	5.6
135.06519	3.6
137.02368	2.7
147.00751	3.8
149.02347	22.7
163.03920	4.0
164.04700	22.1
175.00279	29.5
179.07024	3.5
188.45032	1.9
190.02631	90.2
191.03123	3.6
205.04990	100.0
206.05515	5.0
207.02989	2.6
221.08171	5.1
223.06059	44.8
224.06532	2.3
232.96194	1.7
237.07710	2.7
265.07141	15.7
295.08115	2.1
305.14133	2.2
325.09387	2.4
503.17682	96.5
504.18002	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	503.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.5
59.01249	38.7
64.27385	1.2
71.00896	1.9
71.01250	23.4
72.99180	3.1
73.02797	3.8
73.92989	1.2
75.00746	27.1
76.24004	1.4
85.02842	7.4
87.00732	3.5
89.02320	14.7
93.03318	6.0
95.01266	2.4
98.20614	2.3
99.00714	3.0
101.02321	14.3
107.04861	1.4
111.00726	4.0
113.02316	8.1
116.92654	2.0
117.01768	3.0
119.03423	7.7
119.04888	1.8
121.02824	4.9
123.00694	3.1
125.93031	1.5
135.02895	1.8
135.04340	2.5
137.02325	4.8
148.01544	1.7
149.02351	24.4
150.02917	1.4
151.07608	2.0
161.04425	2.6
163.03909	7.4
164.03450	1.9
164.04706	23.5
165.03915	4.1
165.05392	3.5
173.02257	1.5
175.00238	4.1
176.00981	5.9
177.05540	2.8
178.06335	1.7
179.03349	3.9
179.07007	4.6
182.02065	2.6
188.04716	2.4
190.02617	22.3
191.03340	15.6
191.05452	5.3
192.03973	1.4
197.04494	6.0
203.06993	1.4
205.03319	1.8
205.04991	21.2
206.05806	14.2
206.07614	2.4
207.02834	5.5
208.03625	4.2
209.04370	2.4
221.08182	17.8
221.11566	1.6
223.06065	37.3
237.07681	9.5
250.04692	4.7
250.07071	1.6
253.01714	1.4
255.12233	1.7
265.04413	2.5
265.07141	48.9
265.09937	2.3
266.07416	1.8
295.08109	5.6
297.08264	68.0
297.13257	2.6
298.08496	2.1
325.09311	10.0
329.09018	2.4
341.12140	2.1
385.11270	1.7
407.25912	1.4
413.10828	2.7
427.12204	4.4
503.13898	100.0
504.14404	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	503.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	83.8
61.98708	4.6
63.39879	3.5
71.01251	39.2
72.99162	7.3
73.02824	9.8
75.00740	32.2
80.24673	3.1
83.01216	3.0
85.02833	10.9
87.00754	11.8
89.02331	20.7
93.03333	11.2
94.03619	4.0
99.00742	6.7
101.02302	21.6
103.03889	7.4
109.02838	5.9
111.00752	9.8
113.01316	3.1
113.02312	13.9
116.03349	4.4
116.92726	8.5
117.01808	3.3
118.13966	3.8
119.03373	11.3
119.04910	6.0
121.02798	3.9
134.03622	5.4
135.04443	8.9
136.01555	2.9
137.02301	8.8
138.03181	3.7
143.03506	3.2
147.00745	3.2
147.04396	5.8
149.02354	31.9
149.05939	3.8
151.04050	3.4
161.04428	5.6
163.03891	11.4
164.04677	30.6
164.06984	5.1
165.03929	12.7
165.05214	4.4
175.00264	12.3
175.03915	4.0
176.01030	4.3
177.01819	4.2
177.05437	4.0
179.03340	8.5
179.07091	6.6
182.02121	8.8
190.02617	31.3
191.03416	15.6
191.05536	10.8
192.05884	5.2
193.04784	4.1
197.04431	16.8
203.06972	3.4
205.04950	31.6
206.05754	13.3
206.08018	4.9
207.02936	7.7
207.06419	4.4
207.08501	4.5
208.03725	4.5
221.08183	17.4
221.11746	8.5
223.06067	48.7
229.33159	3.7
237.07706	7.3
250.04770	7.9
253.08577	3.2
265.07086	41.4
269.04498	5.8
283.11963	3.4
295.08051	9.2
297.08228	81.5
297.13293	3.7
298.08508	3.3
325.09149	10.1
327.08893	4.5
329.09155	5.4
385.10861	4.4
385.40344	3.2
413.11188	3.5
427.14154	3.1
503.13458	100.0
504.14377	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	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17873	0.4
59.01254	2.4
60.67434	0.3
61.98700	100.0
84.52074	0.3
89.02299	0.6
89.73460	0.3
95.83370	0.4
97.14277	0.4
98.19839	0.8
129.48196	0.3
163.48529	0.4
277.21671	0.9
278.22128	0.7
279.22391	0.8
359.14380	0.4
366.16556	0.5
432.42285	0.4
502.30649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07340	1.8
57.03305	7.1
58.00459	2.5
59.01245	76.1
62.49782	1.8
69.29738	18.7
71.01253	47.0
72.99178	13.2
73.02821	11.6
75.00735	11.8
83.01212	3.0
85.02818	31.0
87.00751	16.5
88.54527	2.0
89.02313	46.8
93.03316	3.8
95.01253	4.2
95.04846	2.1
95.92960	1.7
96.44604	1.9
99.00753	14.6
101.02312	25.8
103.03883	61.9
107.55534	2.5
108.02042	3.1
109.02827	6.5
111.00743	3.7
113.02312	14.5
117.03312	3.8
119.03370	5.8
121.02838	11.2
123.00751	2.9
123.04453	3.5
125.02317	4.0
131.03383	7.2
133.99850	1.9
135.00780	5.3
135.04428	5.5
137.02341	2.2
138.03148	2.7
139.00241	5.8
139.03874	6.0
143.03374	2.0
145.02846	3.5
145.04973	2.1
147.00751	5.2
149.02393	13.0
149.04439	18.9
149.05585	2.6
151.03908	5.3
152.00929	3.4
153.01811	7.6
153.05466	13.6
154.02556	6.9
161.04515	3.1
162.03305	2.1
163.00249	6.2
163.03929	3.3
164.01021	5.0
164.04698	8.0
165.05289	2.4
166.02557	3.2
167.03374	2.2
168.04132	2.6
169.04959	12.2
175.00174	2.4
176.00967	2.4
177.01834	5.8
177.05452	3.7
178.02638	8.2
178.99844	2.8
179.03406	19.8
181.01399	4.7
183.06572	4.1
190.02618	2.8
191.03493	2.8
191.05437	3.7
193.05028	9.3
195.02792	2.8
196.03673	3.9
197.04451	4.9
205.01349	4.1
205.04964	8.4
209.00792	2.7
209.04497	4.1
211.06055	19.9
223.02388	2.7
223.06046	13.1
227.05426	2.9
237.00357	4.6
237.03978	5.6
246.84581	2.2
247.08141	7.0
251.07745	2.8
255.05067	8.5
255.08784	12.6
265.09274	100.0
266.09506	2.6
459.14859	9.2
471.11520	4.6
473.95657	2.4
485.12598	3.8
503.13449	16.9
503.24701	3.6
504.14465	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	501.3222
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
52.08377	0.5
55.01746	0.6
55.82818	0.6
59.01243	4.8
61.98689	0.6
71.01237	2.4
71.52620	1.1
73.02849	1.1
83.04899	4.0
85.02850	0.6
85.06456	29.3
89.02298	1.6
95.04921	0.8
97.06480	3.7
101.02294	1.9
101.05952	2.6
103.54621	0.6
110.98319	0.7
113.02306	1.4
127.07510	1.5
147.04489	0.6
155.69194	0.6
165.08978	0.7
175.03914	3.8
233.11723	0.6
245.90456	0.6
253.09235	6.6
263.09247	3.8
265.21689	48.7
266.22043	4.1
327.19788	1.2
327.23318	1.1
341.24731	1.1
343.22684	7.2
343.26385	1.1
344.23209	0.7
355.22498	0.7
359.25894	5.8
371.25851	6.5
399.21405	1.8
399.29065	2.9
403.24902	0.7
415.32156	21.1
416.32318	2.9
439.31921	2.4
457.33383	3.9
501.32138	100.0
502.32623	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	501.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37029	0.5
59.01249	100.0
62.16228	0.4
62.66048	0.5
71.01244	4.1
71.44227	0.8
73.02816	0.9
85.02834	1.5
89.02311	1.9
101.02316	3.1
113.02325	5.2
115.11273	0.5
115.79592	0.6
119.03411	1.2
148.48508	0.5
161.04482	1.6
221.06615	0.7
240.81717	0.5
279.23270	93.1
280.23621	5.0
293.24930	2.4
321.24329	1.4
465.03040	0.5
470.67072	0.6
492.82367	0.5
501.32272	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	501.2856
Annotation	Kadcoccilactone B
Peak:m/z	Relative Intensity
59.01225	3.1
61.98694	10.9
67.01769	1.8
68.38354	1.3
71.52448	1.6
71.52816	1.4
76.32908	1.4
77.80221	1.3
87.04372	4.3
101.04311	1.3
108.77269	1.4
124.63944	1.4
127.07554	3.2
129.07103	1.3
131.08528	6.2
135.04401	3.3
144.25887	1.6
148.05264	8.0
156.16368	1.6
159.04507	2.0
161.05957	4.4
173.05991	3.9
174.06766	5.9
175.03851	2.5
175.07571	18.2
175.31204	1.4
187.07596	8.4
201.05478	13.9
201.09065	4.9
203.10588	2.1
206.02063	2.0
213.09129	3.8
215.10670	2.4
216.00613	11.0
227.10776	2.6
233.11792	34.5
245.11656	1.8
259.09793	1.8
263.12787	4.0
277.02686	1.4
285.14752	2.2
289.14478	4.9
303.15836	6.5
321.17099	7.6
352.13272	2.8
365.16071	3.8
367.15350	6.4
369.24298	2.8
395.22250	4.2
409.25769	1.4
457.29364	6.8
483.27591	3.9
501.28531	100.0
502.28873	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	501.2858
Annotation	Kadcoccilactone B
Peak:m/z	Relative Intensity
59.01237	3.9
60.46346	1.0
61.84982	1.1
64.94825	0.9
75.83323	0.9
83.04896	2.6
87.04369	5.8
87.39996	1.1
98.20563	2.3
105.06909	1.4
107.04942	1.9
131.08562	11.1
133.06473	1.0
135.04378	1.9
147.04419	5.6
148.05194	10.9
149.05994	6.7
157.06473	1.3
159.04395	3.7
160.05162	1.6
161.05959	8.1
173.06004	8.2
174.03119	1.8
174.06749	11.1
175.03900	4.0
175.07553	38.2
175.11165	3.2
176.07909	1.8
185.05980	3.6
187.07553	20.5
189.09071	2.6
190.02626	1.1
200.08377	1.9
201.05478	17.8
201.09175	2.6
203.10693	4.1
205.08646	1.9
215.10686	5.6
219.10196	24.9
227.07063	1.6
227.10722	4.3
233.11769	61.9
234.12085	4.2
241.12383	1.3
245.08255	5.0
245.11800	2.0
259.09607	1.2
263.12842	5.8
263.42203	1.0
273.23267	1.5
285.14920	6.9
296.96213	1.1
303.15939	11.4
311.19885	1.2
321.17023	33.2
322.17520	1.3
352.20486	5.8
355.22781	2.3
365.15985	62.2
366.16296	4.4
395.22021	4.6
457.29523	11.4
483.27499	3.5
501.28488	100.0
502.28860	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	501.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22379	1.4
53.65855	1.7
59.01250	100.0
61.23669	1.6
68.18557	1.6
71.00961	1.5
71.01264	16.7
73.02831	9.5
75.49944	1.6
83.01256	3.5
85.02829	6.6
89.02312	9.0
98.20577	3.3
101.02322	9.5
111.00812	2.4
113.02332	13.3
118.01498	1.6
119.03368	4.2
119.04938	2.0
125.02303	2.2
133.88689	1.5
143.03351	1.8
154.32475	1.5
215.15948	1.6
251.07822	2.2
387.11505	1.7
397.22342	2.1
442.85413	1.8
501.19290	2.8
501.23929	2.2
501.30405	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	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01589	0.8
62.13537	0.1
71.01253	1.1
71.21363	0.2
73.02831	0.8
79.99123	0.1
83.01279	0.4
85.02830	0.2
89.02350	0.4
92.86883	0.1
101.02309	1.0
102.67990	0.1
112.19018	0.1
113.01646	0.1
113.02287	0.7
119.03396	0.3
127.61754	0.1
136.03566	0.1
140.01088	0.1
143.03455	0.1
149.04495	0.1
161.04515	0.4
179.05461	0.1
205.73624	0.1
239.63768	0.1
245.36092	0.1
250.17488	0.1
262.94479	0.1
266.17847	0.1
289.12292	0.1
381.23190	0.1
399.23996	0.4
441.25082	0.4
457.24414	0.2
501.26691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01581	0.9
70.47221	0.3
70.47619	0.3
71.01231	0.7
73.02821	0.2
85.02832	0.3
89.02338	0.3
95.49112	0.1
100.29316	0.2
101.02319	0.6
106.06488	0.2
113.02332	0.4
139.98683	0.2
151.19519	0.1
153.89993	0.1
161.04434	0.3
201.11385	0.2
240.35739	0.1
270.04083	0.2
297.12527	0.2
399.24042	0.6
442.25729	0.2
501.32446	0.3
502.26199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1769
Annotation	Flavaprin
Peak:m/z	Relative Intensity
52.01219	0.4
55.03995	0.5
57.03309	1.1
59.00962	0.6
59.01248	11.9
63.02262	0.8
63.06206	0.4
64.38223	0.4
65.00182	3.5
68.99690	1.1
69.65408	2.0
69.65806	1.0
71.01252	3.3
73.02805	1.3
77.67684	0.4
83.01266	0.9
85.02810	2.0
89.02317	2.9
93.03329	4.3
97.02770	0.4
98.20521	0.9
99.00762	0.6
101.02307	2.2
103.03875	0.5
107.04892	0.7
108.02082	0.9
109.02782	0.4
109.06469	1.5
111.00737	1.7
113.02309	1.3
119.04918	31.0
120.05238	0.9
121.02856	1.2
125.02328	0.5
131.08542	1.4
133.02837	0.7
133.06491	11.0
134.06720	0.6
136.01564	0.8
137.02324	1.2
145.02863	1.2
147.08034	0.6
148.01492	0.7
149.05991	0.7
151.00253	0.9
151.07524	4.7
159.04393	0.9
161.02322	1.3
161.04510	1.0
161.05867	0.7
163.00249	1.3
173.04544	0.6
173.05937	0.5
175.00325	1.4
175.07570	4.9
176.01077	4.7
177.01842	1.6
177.05634	0.5
187.03868	0.5
189.05479	0.7
190.02602	0.5
191.07024	2.4
193.08572	0.7
203.07191	0.6
205.05045	0.5
211.27533	0.5
219.06570	46.4
220.06870	2.0
232.07518	0.5
233.08296	2.4
235.06096	0.9
237.07658	1.5
245.08170	3.9
251.07825	0.4
253.07140	3.3
265.09329	0.6
295.06158	0.9
295.13486	0.6
297.11304	0.6
321.11292	0.5
339.12347	100.0
340.12637	8.2
421.19397	0.4
467.66068	0.5
501.17651	36.5
502.17816	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	501.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44513	1.2
53.92703	1.5
57.03317	16.9
59.01247	39.9
71.01243	19.6
71.52368	2.2
72.99172	3.1
73.02804	4.9
73.18336	1.5
83.01269	1.8
83.04882	2.4
85.02806	6.4
87.00771	1.7
89.02312	12.4
91.05430	2.5
93.03327	2.5
93.67397	1.5
99.00742	2.5
99.30954	1.5
101.02303	11.6
101.04802	1.6
103.03900	3.1
105.31328	1.6
107.04934	2.2
108.02029	3.6
111.00735	2.5
113.02325	9.0
119.03383	4.5
119.04926	1.5
121.02831	7.0
123.08031	2.6
133.04956	2.9
134.03571	1.9
135.04396	6.4
137.02380	1.9
137.09610	5.3
139.11079	1.6
144.43839	1.4
147.04419	5.1
149.02342	50.0
149.09641	7.5
151.03796	2.2
152.01028	5.4
163.03931	18.0
164.01227	1.4
164.04698	45.4
165.05450	6.6
165.12756	2.9
166.02574	3.4
173.02324	3.1
174.81703	1.8
175.00272	5.9
176.01035	4.2
177.01993	1.9
177.05434	8.1
177.12756	3.5
178.06287	2.4
179.03365	3.6
179.07054	6.4
179.10654	1.8
181.04903	2.2
188.04698	2.9
189.05479	2.0
190.02647	18.7
191.03403	28.9
192.04057	2.1
193.01337	4.7
193.05023	3.1
195.13821	30.5
203.07066	4.5
204.04161	4.0
205.04985	22.0
206.05740	32.4
207.02962	16.1
208.03703	12.9
209.04358	1.4
219.03033	1.9
221.08145	36.6
222.05254	4.1
222.08388	1.6
223.06052	71.4
224.06459	3.1
235.02403	8.1
237.07657	17.1
239.12848	63.3
240.13251	2.2
248.00734	1.6
250.04817	12.5
263.12836	10.7
265.07132	99.4
266.07419	5.2
295.10498	63.4
296.10626	2.7
325.09286	15.7
330.97546	1.5
398.08472	6.1
481.17255	1.6
501.16135	100.0
502.16556	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	501.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82737	1.3
59.01247	60.5
69.17158	12.3
69.17577	3.2
71.01250	25.4
71.04892	2.1
72.99167	1.9
73.02800	8.2
75.00726	1.5
81.03255	2.1
83.01252	2.5
83.04875	1.3
85.02437	1.2
85.02820	13.3
87.00726	2.3
89.02282	10.2
91.05345	1.4
93.03331	9.8
97.02779	1.4
99.00713	2.7
101.02303	15.6
108.02008	3.7
109.02801	4.1
111.00756	2.7
111.04354	3.1
113.02328	10.2
115.03867	2.3
119.01260	3.3
119.03346	4.9
119.04924	3.8
121.02841	10.2
125.02274	3.5
127.20342	1.4
128.03392	1.6
132.02063	1.8
133.02805	1.7
133.04863	1.8
135.04343	4.4
137.02332	9.8
137.62578	1.4
141.15244	1.3
147.00780	2.9
147.04388	5.3
148.01509	1.7
149.02338	58.1
150.03008	2.1
152.01010	5.2
153.01781	2.6
154.99747	1.8
155.03340	2.3
159.02866	1.9
161.04413	5.4
163.03926	9.9
164.04684	44.6
165.01758	1.9
165.05328	3.6
173.02151	1.7
173.04482	1.8
175.00278	21.2
176.01071	13.6
177.01680	1.9
177.05432	3.6
178.06175	2.7
179.03317	3.3
179.07004	6.2
185.60876	1.3
188.04701	1.7
190.02629	70.2
191.03331	26.3
191.05405	6.7
192.00690	1.3
193.01353	2.7
203.07066	3.0
205.04980	79.4
206.05765	18.0
207.02849	7.6
207.06194	1.5
208.03568	5.5
209.04539	1.7
221.08119	16.0
222.05162	1.8
223.06049	54.1
224.06395	2.9
225.07619	1.6
235.02379	2.4
237.07655	8.7
239.10759	1.5
250.04736	5.6
265.07111	66.8
266.07288	3.3
277.09250	1.4
295.10437	86.0
296.10577	4.2
299.01700	1.8
325.09320	13.6
327.08762	10.0
337.06900	2.0
385.11288	2.9
427.12439	14.2
441.13962	43.2
442.14124	2.9
457.13257	2.0
483.14584	3.8
501.15912	100.0
502.09457	2.1
502.16196	8.3
525.57477	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	501.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.1
58.02844	7.5
59.01256	7.3
67.01758	6.9
70.02857	2.1
71.01247	4.1
71.52080	1.9
72.00764	1.3
72.99169	4.1
73.02802	1.5
75.00764	1.0
81.03338	1.2
83.01248	3.5
83.04910	1.9
85.02293	1.4
85.02814	27.1
86.26583	0.9
87.00751	3.2
89.02268	1.2
91.05397	1.9
93.03328	27.3
95.01254	1.0
96.99204	1.2
99.00766	1.7
99.19888	1.0
101.02306	3.4
108.02034	1.9
109.02837	2.3
111.00756	100.0
111.04379	3.3
112.01077	2.1
113.02306	1.5
119.04909	18.4
121.02843	2.4
123.04379	2.1
127.03901	0.9
128.03372	1.3
129.01843	6.9
131.04875	1.0
133.02850	2.0
135.45204	1.1
137.02319	3.8
143.04935	5.9
145.06468	1.9
145.08078	1.1
147.04427	11.2
152.01062	1.6
154.99762	14.9
155.03392	3.1
159.04411	1.0
163.03899	8.9
164.07076	29.1
173.00827	35.1
173.04465	52.7
174.01202	1.1
174.04779	1.2
184.74817	1.0
191.01868	2.0
191.05536	27.4
203.10629	1.0
205.04848	1.1
206.06186	2.3
206.08154	45.5
207.08487	2.9
211.07530	1.9
235.07614	1.8
237.09247	5.7
239.10576	1.5
265.08667	7.9
283.09744	5.0
309.07574	3.4
311.05759	1.2
312.14160	1.0
321.13342	3.8
327.08713	59.4
328.08981	4.6
339.14548	4.6
353.06607	1.4
474.37238	1.1
501.19376	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	501.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76294	1.4
56.62056	1.2
58.02841	10.5
59.01238	6.0
67.01755	1.9
69.20468	14.4
69.20876	2.5
69.55468	1.5
70.02839	5.2
71.01249	2.9
72.00792	2.0
72.99181	3.6
83.01260	2.9
85.02827	15.5
91.05385	3.5
93.03334	11.6
101.02293	1.8
111.00758	100.0
112.01115	2.1
113.02288	1.6
119.04927	8.3
125.07259	1.4
128.03296	1.5
129.01801	3.8
135.04330	1.9
143.04907	6.4
147.04413	17.6
151.26376	1.4
154.99768	13.1
158.03606	1.6
163.03903	7.3
164.07071	56.8
173.00832	28.5
173.04446	4.6
191.01871	4.2
191.05530	37.2
203.15271	1.4
206.08165	71.4
207.08514	2.5
211.07594	2.5
237.09071	1.8
250.07007	1.8
265.08655	6.2
327.08701	41.8
328.09097	3.0
501.14163	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	501.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18067	3.9
52.73126	4.5
56.11005	4.2
59.01247	34.0
63.10218	4.5
69.75259	11.3
69.75661	18.1
71.00962	4.3
71.01258	47.9
72.99179	8.0
74.38293	4.4
77.99998	4.9
78.20860	4.3
81.74236	4.3
83.01256	9.8
85.02836	8.9
87.00732	15.2
89.02309	38.0
93.03333	16.9
95.01257	6.5
98.20446	8.9
99.00765	7.1
101.02306	16.6
111.00752	9.9
113.02323	20.0
115.00272	26.1
119.03426	11.0
119.04908	35.2
131.03345	4.9
133.02824	15.1
135.04478	4.9
138.58154	4.5
145.02858	5.6
147.04358	14.1
149.05933	28.9
157.01329	4.7
159.04382	9.3
161.04472	8.6
161.05870	7.5
163.02541	4.7
163.03867	24.4
171.04460	6.3
173.05978	8.6
175.02382	46.4
177.05472	41.0
179.05486	13.8
187.03915	22.9
189.05463	18.1
190.02716	6.2
191.07074	7.8
199.03932	5.3
205.04979	91.5
208.22353	4.9
213.05295	6.1
217.04936	24.8
221.04485	82.1
233.08104	8.6
235.06104	5.2
241.05095	4.7
259.06018	9.2
261.03973	25.7
277.07114	100.0
278.07544	7.4
319.08124	7.9
321.06116	40.9
337.07785	12.7
339.07242	10.2
388.05478	4.9
394.94611	4.6
429.51059	5.2
439.12613	12.0
483.11475	6.9
501.12558	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02840	10.1
59.01232	5.0
67.01749	4.0
70.02853	2.9
71.01217	2.8
71.44495	1.7
71.52024	1.9
72.99153	4.5
83.01250	3.9
85.02822	26.1
86.98825	1.6
91.49474	1.5
93.03336	13.0
96.95889	1.8
99.00722	1.8
101.02313	3.0
111.00761	100.0
111.04408	1.5
116.86947	1.5
119.04891	9.3
121.20225	1.8
129.01813	8.6
131.04889	1.6
143.04887	5.4
147.04420	6.7
154.99762	10.7
163.03889	6.9
164.07069	29.6
173.00835	37.7
173.04456	17.7
174.01102	1.7
177.02011	1.8
191.01866	2.5
191.05551	12.9
206.08144	46.4
237.09036	4.0
265.08621	8.1
272.14667	1.4
283.09576	2.4
309.07559	2.1
321.13266	3.9
327.08752	40.8
424.74011	1.7
501.19852	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	499.291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
59.01248	100.0
60.01598	1.0
71.01247	4.1
71.15739	0.4
71.53086	0.5
72.99191	0.5
73.02831	1.2
78.84920	0.4
79.03228	0.4
82.88299	0.4
83.04862	0.7
83.19607	0.4
85.02819	1.3
89.02318	1.9
95.01266	0.9
101.02318	3.6
101.05964	0.7
113.02322	4.6
119.03387	1.2
127.29412	0.4
139.07602	0.4
153.03081	0.4
161.04468	1.6
273.22226	0.6
277.21701	84.6
278.22018	5.4
291.23218	3.1
301.44345	0.4
319.22998	1.9
331.22815	0.6
499.31100	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02853	6.6
59.01257	3.1
67.01763	2.7
67.29822	1.6
69.17353	4.8
69.17769	15.3
71.01271	2.0
72.99187	4.3
83.01277	3.1
85.02818	22.0
93.03330	15.1
98.19840	3.5
101.02283	2.1
111.00768	100.0
112.01164	1.9
119.04932	10.1
121.02810	2.1
124.25325	1.8
129.01814	7.0
137.02336	2.1
138.05786	1.8
143.04938	4.0
147.04445	3.8
154.99792	13.9
163.03906	6.5
164.07104	14.1
173.00844	39.0
173.04453	28.6
179.03522	2.0
191.05556	14.0
206.08154	30.6
237.09073	4.4
265.08539	3.8
283.09784	3.1
321.13339	2.9
327.08719	34.9
339.14413	2.7
377.34329	1.9
427.41980	1.9
498.31461	1.6
499.04083	1.8
501.19913	2.4
516.75537	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40335	2.7
53.37885	2.9
59.01247	83.0
61.98690	4.5
71.18858	2.9
71.52412	3.8
74.69482	3.0
76.33851	3.0
78.95793	6.8
83.53990	2.8
101.20483	3.1
111.25067	3.1
140.18935	3.1
147.04417	5.2
149.02325	28.7
152.99469	4.1
173.06001	4.3
175.03894	8.3
175.07481	5.6
187.07658	3.5
189.01868	3.8
193.12201	4.9
203.07191	4.1
204.04193	3.3
213.16266	3.0
217.08611	4.8
220.07338	10.8
231.10306	6.2
233.11806	3.3
247.09697	4.8
271.22791	29.7
301.43393	3.1
305.13928	100.0
306.14163	7.1
306.56897	3.0
309.14847	5.6
319.15347	3.7
379.23120	3.9
411.21414	3.9
437.26843	69.3
438.27249	5.4
499.27087	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	499.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44726	0.3
59.01248	5.7
67.58642	0.3
71.01247	4.5
71.52834	0.4
72.99164	0.3
73.02805	1.0
83.01250	0.6
83.04887	0.3
85.02825	1.1
87.00770	0.7
89.02314	3.6
96.00743	0.3
101.02304	4.8
102.53068	0.2
113.02325	2.1
114.38904	0.3
116.75482	0.3
119.03374	1.2
133.04970	0.5
157.05098	0.4
161.04440	1.4
162.83794	1.3
164.83557	1.3
179.05515	0.4
212.11833	0.3
214.08644	0.3
219.21031	0.4
235.08299	1.3
245.19101	0.5
253.09251	15.0
254.09602	0.4
261.18530	0.4
263.20132	100.0
264.20496	5.7
270.04120	0.4
270.21375	0.4
271.22510	0.6
285.06381	0.5
286.06940	0.5
330.45889	0.3
352.20209	0.4
392.25049	0.3
499.30905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	3.9
64.96757	0.8
70.34862	3.6
71.01248	4.9
73.02824	6.4
79.05410	5.7
92.04922	1.5
93.39011	0.8
98.20618	0.9
104.49928	0.9
131.03664	16.2
144.04408	2.1
153.12773	0.9
155.07306	9.5
157.05141	2.2
158.05899	1.2
170.09599	2.7
171.06784	1.8
180.08095	12.7
181.08386	1.0
182.09651	11.4
183.06726	2.2
190.98138	0.9
194.09644	1.2
196.11253	24.2
197.11598	1.3
198.09167	100.0
199.09468	4.9
199.37758	0.8
215.12724	2.0
224.10681	1.0
248.52377	1.0
252.13884	3.1
254.28578	0.9
255.09325	4.6
257.25632	0.8
259.08524	1.5
273.10333	5.1
295.12027	1.3
300.16031	72.2
301.16553	4.7
309.78275	1.1
329.74445	0.9
338.43527	1.0
377.15042	22.4
378.15308	2.0
417.17963	2.2
499.25885	34.7
500.26047	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	499.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.5
59.01252	2.3
59.93240	0.4
61.74549	0.4
62.27305	0.4
62.66195	0.5
66.16983	0.4
69.03320	0.5
69.98601	0.8
69.99001	1.4
71.01251	5.0
73.02824	4.5
77.69883	0.5
79.05398	5.3
85.58232	0.4
92.04951	1.5
93.65784	0.4
98.20469	0.8
120.95924	0.6
124.71891	0.4
131.03664	15.5
132.04079	0.5
135.63184	0.5
144.04459	1.1
155.07304	9.1
156.07845	0.5
157.05235	1.3
160.84117	1.8
165.01329	0.4
166.06548	0.9
170.09666	2.7
171.06804	0.9
180.08090	11.6
182.06113	0.8
182.09663	8.9
183.06779	2.0
191.02269	0.5
194.09718	0.8
196.11240	20.0
197.08267	0.5
197.11678	1.1
198.09171	100.0
199.09517	3.9
215.12695	1.0
234.12787	0.6
252.13829	2.5
255.09204	2.4
259.08670	0.6
264.14001	0.8
264.17114	0.5
273.10272	3.5
295.12491	0.6
300.16037	62.8
301.16299	3.1
331.41129	0.5
368.22443	1.4
377.15036	14.8
378.15454	1.0
392.95886	0.5
417.18356	2.3
499.25995	39.2
500.26324	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	499.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48043	0.5
57.03315	0.8
59.01240	2.0
61.98694	1.0
64.91544	0.5
69.03328	6.1
69.70168	0.5
71.01260	0.7
71.52517	0.8
73.02817	2.4
79.05390	5.3
87.04397	1.7
89.05501	0.5
92.04926	1.7
99.00739	0.6
131.03658	22.8
144.04457	2.5
144.94392	0.5
149.30170	0.6
155.07301	8.3
157.05222	0.7
158.06041	0.8
166.06569	4.1
167.06876	0.7
170.09627	3.2
180.08115	12.1
182.09668	35.5
183.06750	0.9
183.09966	2.3
192.08188	2.6
194.09630	1.3
196.11275	2.4
198.09163	100.0
199.09518	5.2
208.07953	0.6
208.11235	16.1
208.13202	0.8
209.11659	1.2
212.10663	0.7
218.09668	0.7
219.10480	0.9
224.10770	7.5
225.11047	0.7
226.12326	4.6
227.12579	0.8
234.12804	3.5
236.14365	0.7
250.12161	0.7
252.13885	2.6
259.08704	2.0
267.09341	1.3
282.15015	2.1
285.10303	7.2
286.15701	0.7
299.11981	0.8
300.16028	84.4
301.09879	0.7
301.16339	6.3
303.11328	1.5
325.13409	1.3
329.12683	0.9
354.20660	3.8
368.22308	1.7
377.10168	1.0
377.15030	20.3
378.15384	1.8
397.20111	1.1
407.21213	0.8
417.18198	2.7
425.22018	1.1
499.25961	53.6
500.26227	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	499.2335
Annotation	Tropolactone B
Peak:m/z	Relative Intensity
57.03320	1.2
58.18011	0.4
59.01247	75.1
60.01587	0.5
60.04638	0.4
69.03323	3.8
69.26942	3.7
71.01259	1.4
73.02810	1.4
74.25463	0.5
83.01254	5.0
84.02020	2.2
85.02817	10.4
87.00751	3.3
89.02319	1.1
93.67169	0.5
95.91094	0.4
97.02832	4.8
101.02311	2.5
103.03868	0.4
110.03613	0.9
113.02360	1.1
119.08521	0.8
135.08087	0.6
139.73143	0.4
173.13228	0.6
193.12274	0.5
212.90634	0.5
213.16354	1.0
227.14378	0.7
235.14886	0.7
240.45706	0.5
249.16518	1.0
251.18097	1.1
257.15521	1.1
319.17044	1.9
320.17670	0.7
321.18314	0.5
335.16144	0.9
335.20132	13.0
336.20453	0.7
347.16150	0.6
351.19614	0.7
351.23325	4.3
352.23489	0.8
362.18930	0.6
365.17261	0.6
377.21085	1.2
381.23849	0.6
395.22241	100.0
396.22604	10.9
413.23215	1.3
439.21210	80.9
440.21564	8.6
455.24344	3.8
499.23361	26.3
500.23669	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	499.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38453	1.3
59.01250	100.0
59.16630	1.2
68.46391	1.6
69.23851	9.2
69.24275	6.6
71.01238	7.1
72.99178	1.5
73.02820	2.2
85.02822	3.6
86.45444	1.5
89.02316	2.3
94.78349	1.4
101.02319	5.5
101.05962	1.8
103.03861	2.2
108.24827	1.5
110.10011	1.4
112.06105	1.6
113.02358	2.5
120.04438	32.3
137.16554	1.4
140.72330	1.4
146.02347	2.3
160.07559	1.8
161.04510	1.5
185.02379	1.9
185.91167	1.4
225.04364	1.7
240.06676	2.8
240.12604	2.1
273.72971	1.7
281.12946	36.7
281.15985	2.3
282.13290	4.1
295.14465	6.8
323.08093	2.0
324.13516	4.0
338.10410	2.0
352.20062	2.0
426.09763	2.8
456.22861	48.2
457.23227	5.7
475.87112	1.9
481.22125	2.5
499.22943	19.1
500.13882	2.0
500.24078	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	499.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01588	0.8
71.01258	3.2
73.02814	2.6
73.11628	0.4
82.22482	0.4
83.01270	1.2
85.02827	1.8
87.42226	0.4
87.77290	0.4
89.02323	1.3
98.59444	0.4
100.32882	0.4
101.02325	3.3
113.02338	1.5
143.03403	0.4
144.70865	0.4
161.04439	0.5
229.25142	0.4
265.09338	0.7
292.14514	0.4
357.15836	0.5
379.21204	0.6
395.22321	2.5
397.22339	1.4
439.21774	2.8
474.24265	0.4
484.72897	0.5
499.23285	0.4
519.87952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.2
59.01247	100.0
60.01582	0.9
61.98699	0.8
62.96048	0.8
66.03364	2.5
69.03343	0.8
69.17027	5.3
69.17451	3.6
71.01250	20.3
72.99179	0.9
73.02814	15.9
75.00748	0.9
76.41297	0.8
80.02550	5.2
83.01264	5.0
83.75453	0.8
85.02821	9.8
87.00735	1.8
89.02305	7.6
91.59955	0.8
93.03335	2.2
95.01270	1.1
101.02319	16.2
101.02921	1.2
103.03887	6.4
108.02055	16.0
109.02863	1.7
110.02358	1.1
111.00765	1.7
113.02318	7.9
113.99492	4.0
119.03329	4.2
119.04906	2.4
120.01133	1.3
121.02831	1.7
121.06498	0.8
123.04423	1.0
125.02288	1.1
131.07050	1.8
134.03653	2.0
135.00743	0.8
135.04413	1.3
137.02367	1.4
143.03407	2.7
145.06506	2.7
149.02325	2.2
149.04453	1.2
149.05930	0.9
151.00229	0.9
152.01036	17.2
153.01830	1.1
160.03972	0.9
161.02272	0.9
161.04472	3.3
163.07571	5.2
164.04729	1.4
174.03142	2.9
175.03920	1.4
189.05479	3.0
190.02658	0.9
191.07018	1.4
193.04939	1.4
205.05043	1.4
207.06535	3.1
223.06108	1.1
228.89354	0.8
233.04497	6.9
233.11865	1.0
233.15399	21.5
234.15659	0.9
235.06100	3.2
251.05518	1.1
251.16356	0.9
255.02956	1.0
265.09299	11.9
279.67450	0.8
293.06830	1.2
293.12512	4.0
345.13867	1.7
413.10913	2.8
413.21552	1.5
455.15558	4.8
455.22818	14.2
456.22940	2.1
499.14606	11.2
499.21655	13.9
499.29407	1.7
500.15231	1.2
500.22192	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	499.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.4
59.01250	25.0
67.01800	1.8
71.01254	12.4
72.99180	38.7
73.02825	3.9
83.01257	2.2
85.02820	8.1
89.02328	4.4
93.03356	4.0
97.02896	1.4
99.00803	1.4
101.02341	6.0
103.03862	2.2
107.29032	1.4
108.02048	4.9
109.02839	2.3
111.00755	3.2
113.02343	5.5
120.01179	1.8
121.02832	9.6
121.63619	1.5
122.03652	2.6
123.04411	3.0
125.02373	2.5
125.85480	1.4
134.03653	3.9
135.04424	9.1
136.05190	2.6
137.02336	7.0
147.04428	3.5
149.02408	2.0
150.03111	1.7
151.03931	2.2
152.01094	3.0
153.01898	2.1
161.04514	3.1
162.03175	5.7
163.11267	1.6
165.05450	1.6
166.02681	4.1
173.06032	4.7
174.06812	2.9
175.03987	2.1
177.01923	2.6
178.02722	1.6
179.03513	1.8
187.07732	1.7
190.02774	2.7
193.07115	6.3
203.03500	4.5
205.05032	3.2
206.02213	4.9
223.06105	2.7
229.58560	1.8
245.08325	1.4
245.15569	1.7
263.16467	8.7
265.09344	2.8
275.16522	90.5
276.16937	5.0
291.15997	17.9
293.17789	1.5
295.12006	2.2
315.15887	1.9
319.11874	3.7
319.15414	43.3
320.15933	1.8
333.16998	2.2
337.16559	1.8
361.16660	6.8
385.11508	4.2
499.22049	100.0
500.22678	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	499.1972
Annotation	6R,8alpha-Dihydroxycarapin
Peak:m/z	Relative Intensity
52.61687	0.6
59.01248	100.0
60.01593	0.7
61.98678	0.8
67.01765	3.9
68.99688	2.4
69.47955	2.2
69.48383	3.2
71.01244	2.8
71.04895	0.9
72.99178	4.5
73.02821	1.7
75.41644	0.8
77.00602	0.6
81.03328	0.9
81.70245	0.6
83.01268	1.0
83.04938	1.0
93.03323	1.0
95.01273	1.5
95.04905	0.9
97.06490	1.9
99.00740	0.9
101.05968	1.2
105.07018	0.9
107.04916	0.7
109.02795	0.8
109.06419	0.8
113.10285	0.6
120.05731	0.8
121.02863	0.9
121.05711	0.7
121.06438	3.4
123.04459	0.8
123.08032	1.1
124.05155	0.9
125.06003	1.3
133.06511	1.1
135.08075	2.6
145.10153	1.3
146.07257	1.4
147.08060	1.3
159.08069	1.8
161.09674	4.7
163.11195	3.8
165.09120	0.6
171.08026	1.8
173.09642	2.0
173.13303	1.1
174.06789	1.3
175.11270	1.6
181.74243	0.7
185.09686	1.2
185.13234	0.7
186.06750	0.7
187.04077	0.7
187.07562	2.3
187.11212	3.5
191.10756	0.8
193.80934	0.8
197.09702	1.2
199.11230	1.3
201.12799	3.1
213.09218	1.1
213.12910	1.0
215.10651	0.9
217.08635	0.9
223.11220	1.2
227.14305	0.9
229.12299	0.9
231.10095	3.2
231.13940	0.8
239.14383	1.1
241.12386	1.3
241.15933	1.6
243.17613	2.4
253.15944	1.7
255.17468	1.2
256.14920	0.8
263.14264	0.8
269.11920	2.3
271.13449	3.1
271.16919	4.6
281.15366	1.3
283.04987	1.0
285.15088	0.8
297.14941	7.7
298.07199	2.2
298.15042	0.8
299.16522	1.0
305.15350	0.7
305.19037	1.7
309.18872	0.7
315.16116	0.9
333.18686	1.3
337.18073	1.6
339.19678	1.2
343.15399	2.4
349.18121	5.1
350.18347	1.0
351.19629	1.0
365.13727	1.0
367.19101	2.7
377.17557	4.2
381.13269	1.1
393.16928	1.5
395.18677	7.3
409.16571	1.8
411.18167	2.9
421.16571	6.4
422.17163	0.8
439.17572	49.9
440.17831	3.6
468.72635	0.8
471.20453	1.2
499.19797	30.0
499.27328	3.1
500.20151	3.0
513.17737	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	499.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19627	0.8
55.01754	1.9
55.29686	0.9
55.51110	0.7
57.03315	3.6
58.00472	1.4
59.01250	100.0
60.01571	1.2
69.03329	2.4
71.01252	34.3
72.99169	2.3
73.02814	7.1
74.88319	1.0
75.00757	2.7
76.39177	0.9
80.02543	23.9
83.01256	3.8
83.04882	1.0
85.02827	18.6
85.03299	1.8
85.06454	10.9
85.99967	1.8
87.00751	3.6
89.02319	19.8
91.01778	2.2
93.03342	2.7
95.01261	2.6
95.04903	2.1
97.02833	2.1
99.00738	2.3
101.02322	22.7
103.03885	19.9
107.04871	1.0
108.02052	87.9
109.02876	8.5
111.00766	1.7
113.02322	15.2
113.05965	4.5
113.99477	20.9
115.07546	1.9
119.01233	1.3
119.03380	8.7
119.04893	1.6
119.08584	1.7
121.02842	10.3
121.06497	0.9
122.45644	1.0
127.07552	1.0
130.04147	3.5
131.07033	43.0
133.02846	3.2
135.00783	7.9
135.04407	1.9
137.02348	1.7
143.03369	1.3
143.04881	1.2
145.02753	1.1
145.06511	9.4
147.04391	2.3
149.01231	1.7
149.02350	25.1
152.01054	92.8
153.01848	10.5
161.04459	2.2
161.05882	1.6
163.03914	2.3
163.07552	38.1
164.04689	16.1
164.07852	1.6
173.08083	1.9
173.38272	0.9
174.03131	16.0
175.00284	6.4
175.03804	1.1
176.01051	2.7
177.01801	1.6
179.07024	1.0
187.07640	1.1
189.05498	21.9
190.02628	17.1
191.03368	3.8
193.05049	0.9
203.03296	1.4
205.04990	19.5
206.05710	2.0
207.03175	1.1
207.06569	16.2
208.03740	1.6
218.02118	4.6
221.08195	2.4
223.06064	18.3
231.06464	1.2
233.04524	32.5
234.04828	1.9
247.08279	2.1
249.07654	3.6
250.04874	1.1
251.05630	7.6
251.16495	1.2
265.09320	50.3
266.09668	1.9
267.71906	0.9
293.06836	4.1
293.12415	96.8
294.12759	4.9
295.07944	0.9
309.09802	1.9
319.15421	1.1
323.07724	1.5
325.09177	1.0
337.15967	1.0
353.08820	7.6
367.10370	1.1
385.54431	0.9
395.20886	1.9
413.10870	13.2
413.21722	4.9
441.21579	1.1
455.15607	24.0
456.15897	2.7
457.20825	2.5
490.92566	0.9
499.14832	47.6
499.21506	34.1
500.15225	4.4
500.22482	1.6
523.81018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.4
55.06399	1.0
57.03315	2.7
57.72559	1.1
59.01250	67.7
62.87616	1.0
64.16403	1.0
69.03331	1.6
69.64273	4.6
69.64686	2.9
71.01252	20.2
71.43469	1.0
72.99184	1.3
73.02803	4.3
80.02541	20.7
82.27281	1.0
83.01261	1.3
85.02813	13.5
85.06449	5.6
87.00750	2.3
89.02325	13.7
91.01747	2.9
93.03339	1.4
95.04897	2.3
97.02799	1.6
101.02320	16.7
103.03883	23.7
108.02049	86.3
109.02917	6.8
113.02338	9.1
113.05968	2.4
113.99452	15.9
119.03374	6.0
121.02847	7.5
130.04149	3.0
131.07022	18.0
133.02847	2.4
135.00766	9.1
136.01547	1.2
137.02347	1.3
143.03342	1.2
145.06490	7.2
147.04417	2.0
149.02344	11.1
152.01050	100.0
153.01854	8.7
161.04503	1.8
163.07545	38.4
164.04686	8.3
164.07817	1.8
171.64948	1.2
174.03128	15.8
175.00272	2.1
177.01805	1.7
188.04694	1.3
189.05495	21.3
190.02629	10.1
190.05821	1.3
191.03375	3.0
193.05003	1.4
205.05000	12.6
206.05652	1.8
207.02827	1.4
207.06540	17.5
218.02116	4.9
221.08017	1.8
223.06047	7.6
233.04485	40.5
234.04782	2.2
247.08211	1.5
249.07640	4.3
251.05574	7.9
265.09277	51.6
266.09619	2.7
293.06656	5.1
293.12384	51.0
294.12677	1.4
309.09851	2.1
323.07785	2.5
353.08713	8.6
395.09958	1.4
413.10757	12.4
413.21835	3.9
441.21378	1.4
455.15536	29.7
456.15906	2.5
457.20746	1.6
495.11569	1.5
499.14539	54.1
499.21585	31.2
500.14767	7.5
500.21899	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	498.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.6
57.03314	2.4
58.00450	0.6
59.01250	18.4
60.07808	0.6
62.11618	0.7
64.67921	0.7
69.03326	0.6
69.40097	1.6
69.40514	4.1
71.01250	16.4
72.99170	1.7
73.02824	3.4
75.00730	1.0
83.01255	1.4
85.02831	6.6
87.00739	2.0
87.04387	2.6
89.02317	9.2
91.27953	0.7
93.03304	0.8
95.01260	1.1
98.20582	1.4
99.00758	1.5
101.02313	9.3
113.02325	6.8
115.00233	0.9
115.78342	0.6
119.03373	3.2
121.02849	1.4
124.08875	0.5
130.06528	5.4
131.92068	0.6
132.04430	1.8
142.06520	1.2
144.08075	4.8
149.65182	0.7
154.37257	0.6
156.08089	29.8
157.08424	0.8
161.02498	0.7
161.04410	1.2
167.07335	0.8
172.07603	8.8
174.09160	11.2
179.05524	0.8
182.09689	1.9
186.09174	1.2
199.07967	0.7
200.10756	1.7
206.08058	0.7
215.13275	0.6
223.41743	0.7
226.12329	2.1
230.11836	5.3
244.13467	2.8
248.12889	5.9
260.12988	0.7
262.14499	2.2
300.16162	1.0
318.17191	4.2
336.18109	2.2
337.05496	0.8
410.18082	4.4
480.22171	2.6
491.83734	0.6
498.23438	100.0
499.17316	1.4
499.23907	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	498.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12519	0.7
56.03880	0.7
57.03442	2.6
58.00543	1.0
58.02637	4.4
58.02967	11.7
59.01034	6.4
59.01371	16.4
61.98806	1.3
69.66710	1.6
69.67119	3.2
71.00956	2.4
71.01387	9.6
72.99316	5.5
73.02957	2.5
78.77364	0.6
83.00307	0.7
83.01348	1.7
83.05025	0.7
84.00904	0.9
85.02394	2.5
85.02966	14.5
87.00884	1.3
89.01879	1.3
89.02467	9.6
101.02473	9.9
101.22636	0.7
103.03284	3.2
103.04042	33.8
108.02200	2.5
108.07434	0.6
109.03012	2.2
113.02486	6.3
119.03550	4.7
119.05047	0.7
120.56874	0.7
121.02977	1.6
125.02430	1.3
127.03999	0.9
128.03546	1.2
128.44772	0.7
129.18263	0.7
133.06601	1.1
135.04529	0.8
136.88420	0.8
143.03542	1.3
144.08073	4.8
145.05064	1.2
145.06587	1.8
146.06006	7.3
147.04425	5.1
149.02461	1.0
152.01196	2.2
153.01952	1.3
161.04680	1.0
161.05949	9.2
164.07091	16.0
179.05707	1.0
188.07066	10.1
189.05655	1.6
189.09184	1.0
190.05153	1.3
190.09592	1.0
206.08154	31.2
207.08562	1.7
232.06071	1.0
247.08162	6.8
248.09206	4.5
250.07202	1.0
265.09262	100.0
266.09491	4.5
273.14841	2.0
274.07169	3.1
274.15186	3.6
275.16415	2.3
290.14774	1.1
291.16034	0.8
307.10239	2.1
317.13846	1.6
318.14114	3.4
319.15402	1.2
322.09268	1.2
333.08234	10.4
352.10132	1.4
395.13403	4.4
412.12518	5.9
413.12512	0.8
451.32559	1.2
452.32739	1.4
454.17163	20.1
455.16571	1.6
498.15530	27.6
499.15573	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	498.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03361	1.4
58.00504	0.8
59.00971	0.8
59.01245	15.1
61.98740	0.5
71.01252	7.7
72.00813	1.6
72.99223	2.1
73.02489	0.5
73.02863	1.6
83.01310	1.0
85.02816	10.4
87.00797	0.8
89.02311	7.7
90.54095	0.5
95.01299	1.0
96.00788	8.6
97.01560	2.4
101.02319	7.7
103.00327	0.7
103.03881	19.8
108.02085	1.1
109.02882	0.7
111.00819	0.5
113.02324	4.2
116.92769	1.0
117.07055	0.7
118.06551	1.3
119.03375	4.8
119.04910	0.6
121.02900	0.6
125.02347	0.9
127.03881	1.2
131.03465	0.9
134.03607	0.7
143.03410	0.7
144.08095	1.0
145.04971	0.6
145.06499	3.4
147.04414	8.1
148.04791	0.6
149.02429	0.5
151.03928	1.2
152.01060	1.4
154.04996	0.9
157.52872	0.5
160.03894	3.1
161.04414	0.8
164.04787	0.5
164.07077	12.8
164.08360	0.8
179.05586	0.7
188.07086	79.0
189.07397	3.7
190.02681	0.9
190.05029	3.5
191.21725	0.5
205.05058	1.2
206.08147	6.4
223.06064	0.8
232.06067	1.0
247.08054	1.0
265.09259	100.0
266.09641	3.5
273.14954	1.5
274.07196	4.0
274.15292	2.2
276.12344	1.1
289.09344	0.9
304.08276	0.7
307.10208	1.0
318.13971	0.6
333.08231	12.0
336.14978	1.0
352.10275	1.2
412.12439	5.6
454.16699	0.8
498.15695	19.1
499.17181	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	497.2751
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01754	0.8
57.03321	0.9
58.00449	0.5
59.01251	40.8
64.75443	0.6
65.00192	0.7
68.99704	0.6
69.03331	1.2
69.27414	2.2
69.27837	2.3
71.01252	21.4
71.04897	0.5
72.58485	0.5
72.99192	1.1
73.02817	26.6
75.08067	0.5
79.71980	0.4
83.01260	6.3
85.02814	3.8
87.00750	2.3
89.02320	5.8
95.01253	1.0
97.02808	0.6
98.19835	1.0
99.00743	1.4
101.02321	15.7
104.85163	0.5
111.08076	0.7
113.02335	5.9
119.03389	1.3
119.71429	0.5
120.44377	0.5
131.03465	0.9
144.04448	1.0
149.06030	0.5
151.11255	0.5
157.05313	0.5
161.04477	1.0
169.12332	0.6
195.13832	0.6
205.15915	0.8
223.13387	2.0
231.21077	0.7
255.09015	0.9
259.68051	0.5
273.10287	0.6
275.20099	7.5
277.21796	1.1
291.88177	0.6
293.21222	25.8
294.21524	1.5
437.25528	5.7
438.25433	0.5
445.39886	0.6
455.26498	13.0
456.27142	1.1
497.27588	100.0
498.27826	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	497.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79525	1.5
63.47073	1.3
67.01752	5.9
68.11687	1.3
71.04888	3.3
78.95769	1.6
79.05338	1.9
83.04898	5.1
86.72421	1.2
87.04385	32.5
99.04402	3.1
99.49874	1.3
101.44473	1.2
105.31339	1.2
107.64100	1.3
108.21804	1.2
109.06431	1.7
110.15128	1.6
119.04948	1.8
122.28657	1.8
125.05936	1.8
128.09055	1.1
131.04857	1.4
135.08069	1.8
145.02863	6.2
147.04407	3.3
149.05954	3.2
151.07597	1.8
152.99438	3.2
157.06483	3.7
161.02304	1.8
171.04419	2.6
172.05121	2.1
173.00063	1.5
173.02345	8.2
173.05927	2.7
174.03110	6.3
175.03941	13.5
175.11205	18.8
183.08038	2.4
185.02402	2.7
187.04004	2.1
188.04703	1.5
189.09134	2.0
199.04001	1.6
199.07552	5.4
200.04688	14.9
201.01822	1.8
201.05472	10.2
201.09116	3.1
203.07112	3.3
205.05006	71.5
205.08507	4.0
206.05429	4.4
212.08313	2.0
213.09085	2.4
215.07111	2.3
217.04984	3.0
217.08800	1.4
225.09142	2.4
227.07100	26.5
227.10742	5.8
228.07553	2.2
229.08688	2.5
231.06627	11.5
231.10257	6.9
232.03802	7.1
233.04453	3.1
239.10738	1.7
241.08623	3.0
241.12466	1.6
243.10287	2.8
245.04451	6.0
245.08163	26.9
246.08536	2.4
253.08685	6.1
255.14006	2.0
259.09756	3.1
259.13376	4.1
269.24881	18.6
271.09753	100.0
272.10022	6.8
273.11353	2.4
276.09988	14.8
277.14340	1.8
283.13315	2.6
285.11304	8.8
286.11615	2.1
297.15048	1.5
299.13126	2.5
301.14481	11.4
302.14694	1.6
303.12369	4.9
311.13025	2.1
329.13953	18.7
331.15268	1.4
337.14423	5.1
361.16547	78.7
362.16992	7.9
363.19498	3.1
365.17508	1.5
380.19974	2.3
407.22314	7.0
411.25372	4.7
439.24954	3.8
465.26422	40.8
466.26773	4.6
497.29080	90.6
498.29645	11.4
504.21991	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	497.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80725	0.5
57.03313	2.2
59.01249	19.0
61.98705	0.8
67.01746	0.8
69.03310	1.0
69.85301	2.9
71.01249	4.0
72.99174	5.7
73.02822	1.2
81.03332	3.5
83.01261	7.9
83.04906	1.9
85.02816	3.7
85.06450	0.9
87.00734	0.7
89.02314	1.2
93.03316	1.4
95.04893	3.1
97.02874	1.0
99.04412	0.7
101.02338	1.6
103.03893	0.9
107.04943	1.5
108.02056	1.1
109.02837	1.1
113.02353	1.2
119.04881	1.5
121.02845	1.4
122.03610	1.0
123.04423	5.2
124.01546	1.3
125.02341	2.1
135.04407	1.8
136.05258	0.7
137.02338	2.0
137.05960	2.3
138.03134	1.8
139.03908	1.5
147.08080	0.8
148.05101	0.6
149.09583	0.7
150.03122	1.7
152.01085	1.2
160.03937	4.6
161.04362	1.9
161.05966	0.9
161.09567	0.8
163.03868	1.4
163.07553	0.8
163.11119	0.6
164.04715	1.8
165.01892	1.6
165.05453	0.9
166.02582	3.4
167.03374	5.0
173.05937	0.6
175.03876	0.7
175.07570	1.2
175.11185	0.6
179.03386	6.4
180.04196	10.4
181.05052	0.6
191.01892	0.6
191.03464	1.6
193.04915	0.9
203.06947	0.7
203.10683	1.0
205.04977	2.4
208.03711	4.1
219.06500	0.7
219.13840	0.8
221.04514	1.1
231.06563	0.9
243.10284	0.9
243.13992	0.6
245.08205	0.8
249.07671	2.5
261.14944	0.9
263.12787	1.1
285.14902	0.8
291.08630	0.8
291.12396	0.8
291.15903	1.4
293.10754	1.0
293.13876	4.7
294.14648	0.7
305.13943	5.2
307.15247	0.8
317.13928	2.1
335.15018	18.5
336.15329	1.3
347.14954	5.8
359.15073	1.2
365.15744	1.0
377.16034	100.0
378.16382	8.1
389.16058	1.6
390.53772	0.6
407.11624	1.4
407.17065	30.2
408.17474	2.2
419.17407	0.7
479.19217	3.1
497.13022	0.6
497.20062	11.5
498.20587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81961	0.4
57.03314	2.1
57.97422	0.5
58.00480	0.5
59.01244	18.7
67.66164	0.4
70.67237	0.3
70.99930	0.4
71.01249	10.1
72.99165	0.9
73.02798	0.5
83.01254	0.7
85.02818	15.7
87.00745	1.1
89.02309	11.1
95.01231	0.5
98.20569	1.0
99.04373	0.5
99.62798	0.5
101.02326	7.9
103.03880	32.2
104.04205	0.6
106.04118	13.6
107.04900	1.7
108.56483	0.4
110.62125	0.3
113.02309	5.3
117.05404	0.4
119.03378	5.4
119.04912	1.3
129.01958	0.4
131.03433	0.7
138.03119	2.3
138.03981	0.4
143.03392	0.7
145.04958	1.4
146.59277	0.4
149.02345	0.5
150.03139	0.8
152.01094	0.4
175.11200	9.0
175.12721	0.4
179.05553	0.5
182.02145	0.4
187.11209	6.1
205.12289	7.0
206.12634	0.4
207.10240	0.5
229.34932	0.5
247.08083	0.4
247.13322	0.7
248.10408	1.5
249.11270	37.6
250.11583	1.5
263.12906	1.7
265.09250	78.1
266.09604	2.9
273.15063	0.7
291.12347	27.4
291.81284	0.4
292.12726	1.8
298.78940	0.5
321.13318	2.5
328.26682	0.4
351.14441	11.1
352.14896	0.7
357.03629	0.4
377.16028	0.8
393.15555	2.2
408.71414	0.4
409.78275	0.4
411.16562	1.3
497.20251	100.0
498.20645	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	497.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95511	0.6
58.02850	0.6
59.01244	1.9
67.01746	1.2
69.32476	4.9
71.01240	0.8
71.30038	0.6
72.22212	0.6
72.99175	53.7
77.97725	0.6
79.05361	0.6
83.04892	2.2
84.07384	0.6
85.02834	0.8
87.46582	0.6
98.19836	1.5
101.02307	1.1
107.04900	0.7
115.56748	0.6
119.08550	1.0
121.02855	4.9
122.03609	3.0
123.04394	4.2
127.17904	0.6
134.03607	5.2
134.86720	0.6
135.04410	6.9
135.81696	0.6
136.05081	0.8
137.02434	0.7
137.05988	1.4
138.70224	0.6
147.04401	2.3
147.05479	0.6
148.05177	1.1
149.02315	4.7
149.05975	1.5
150.03104	1.0
159.14003	0.7
161.02354	2.9
162.03104	3.3
166.02603	3.2
173.06007	6.9
173.09610	1.7
174.06741	1.4
174.92648	0.7
175.03830	0.6
175.07524	1.7
177.09082	2.3
178.02615	2.4
187.07567	8.5
188.08362	2.8
189.09102	1.4
200.08430	0.8
201.09055	1.5
203.10561	0.9
205.08595	0.7
206.02109	5.3
213.09145	0.7
215.10706	0.9
217.04938	0.9
232.07338	1.5
241.12268	1.4
243.13837	2.6
245.15417	0.9
255.13837	2.2
261.12576	0.9
261.14975	7.6
262.15356	0.8
265.09238	2.1
273.14938	84.1
274.15265	4.6
287.16483	1.7
289.14429	19.9
290.14984	1.2
297.15143	0.9
311.91776	0.7
313.14453	1.2
315.12427	1.0
315.15936	2.5
316.13190	0.8
317.13907	58.5
318.14252	3.3
330.14590	1.0
331.15359	3.7
359.14938	8.0
360.15125	1.0
479.18906	1.5
497.20251	100.0
498.20917	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	497.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52304	1.0
51.89325	1.0
57.03324	6.1
58.00453	1.0
59.01250	41.5
61.98689	2.4
68.99683	1.3
69.03293	1.1
69.22155	12.0
71.01254	14.9
72.99174	2.3
73.02796	2.6
83.01250	2.2
85.02821	35.2
86.03132	1.2
87.00743	2.4
89.02299	2.9
92.02544	1.8
93.03326	6.6
95.01252	15.9
95.26472	1.1
96.95912	1.2
99.00756	1.5
101.02314	4.7
101.05943	1.0
103.03886	51.5
106.00472	1.2
108.02052	17.4
113.02307	2.6
119.04875	1.2
121.02817	4.2
123.00741	1.3
136.01555	100.0
137.02251	4.4
145.02782	1.1
145.04962	1.6
149.02357	16.7
150.03102	1.8
151.03879	1.2
156.92807	1.0
157.04941	2.5
172.05167	2.2
173.05882	1.4
175.03902	1.9
191.07021	2.7
203.07022	3.3
205.04893	1.1
205.08688	5.6
216.04219	9.7
217.04916	3.7
244.03685	2.0
247.08125	2.6
249.07652	49.0
250.07964	1.7
259.06140	8.3
263.09195	4.7
265.07101	1.6
265.09531	2.1
291.08920	5.0
314.30359	1.1
333.17670	1.2
335.17572	3.0
367.10843	1.1
385.11053	1.4
392.11252	2.0
399.12973	7.1
455.27109	1.5
465.14105	2.4
497.16571	98.9
498.16730	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	497.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	73.5
64.75555	6.0
65.59904	5.4
69.38103	49.0
71.01255	29.9
72.62613	5.3
72.99190	7.1
73.02806	24.5
83.01258	8.3
85.02798	28.4
87.00748	6.2
89.02308	8.1
93.03334	6.2
96.95853	9.0
101.02322	22.4
106.04128	30.9
110.02329	6.3
113.02324	12.0
119.03281	7.1
119.04865	7.1
121.02849	14.4
124.75182	6.3
138.03099	6.4
140.49782	4.8
149.02327	14.8
158.30226	5.5
173.05708	5.6
175.11194	9.8
187.11079	8.6
190.02602	13.1
202.99672	6.0
205.05037	14.0
219.10672	6.0
223.06027	7.8
249.11275	100.0
250.11617	11.6
265.07059	6.6
291.12347	16.2
291.17029	6.5
382.93918	5.9
453.17593	51.3
454.11795	6.8
465.65533	5.9
497.22177	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14944	0.8
55.35774	0.8
57.03333	0.9
59.01247	9.0
61.98699	1.0
71.01248	4.1
71.53165	1.8
72.99178	57.2
83.01257	1.0
83.04877	0.9
85.02820	4.1
87.00742	1.3
89.02325	3.5
93.03324	3.0
95.04912	1.7
101.02310	3.2
103.03869	2.2
107.04923	1.2
108.02055	1.9
109.02839	2.2
113.02321	1.8
119.03388	2.2
119.08546	1.1
121.02834	3.9
122.03635	2.5
123.04414	2.8
125.02361	1.0
128.03401	0.9
134.03625	7.7
135.04414	5.8
136.05180	1.1
137.02257	1.0
144.05681	1.4
147.04410	14.4
149.02361	1.5
149.06042	1.2
151.03816	1.3
152.01117	1.6
159.04451	1.6
160.04022	0.9
160.05254	2.5
162.03140	2.8
163.03992	0.9
163.07573	7.0
164.07051	1.8
166.02602	7.9
173.05975	6.2
173.09680	1.7
175.07538	14.2
177.09196	1.8
178.02655	5.1
179.05524	1.3
187.07623	2.5
188.07072	4.7
189.05394	1.0
189.09155	2.6
191.07040	8.6
200.08417	1.1
203.07037	6.0
206.02133	3.5
210.01724	1.4
215.07025	1.2
243.13838	1.7
251.14439	2.0
255.13889	6.0
261.14899	6.4
265.09274	6.4
267.07010	1.4
273.14941	100.0
274.15332	6.7
289.14426	16.6
291.15900	2.1
315.15933	2.0
317.13910	52.7
318.14163	4.4
331.15579	2.0
333.07925	1.0
335.15012	17.2
336.15292	1.2
359.15045	6.6
479.19437	5.7
497.20389	70.2
498.21387	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	497.1457
Annotation	CHEBI:66840
Peak:m/z	Relative Intensity
51.17205	0.4
53.14052	0.4
53.24976	0.4
56.94086	0.4
57.03315	0.8
57.23893	0.4
59.01250	24.3
60.01603	0.5
61.98707	0.7
63.48310	0.4
65.00204	1.1
68.01360	0.4
68.20764	0.4
71.01250	3.5
71.52681	0.8
72.99194	0.4
73.02838	1.6
79.05419	0.5
83.01260	1.1
85.02849	1.9
86.79706	0.4
87.00753	0.5
89.02344	1.3
90.59518	0.4
93.03352	0.7
97.02848	0.5
101.02312	2.5
103.03928	1.2
107.04903	0.8
113.02344	1.3
117.03345	11.6
119.03359	0.6
119.04939	0.7
121.02868	1.6
125.44775	0.4
131.04942	1.4
135.04346	0.6
135.55794	0.4
145.06541	0.7
149.06024	2.0
151.72682	0.5
158.06575	0.4
159.04457	0.6
161.04381	0.5
169.01511	0.5
171.08054	0.6
172.05220	0.5
173.06018	3.8
175.03922	0.6
183.04527	0.6
185.02408	0.6
187.07645	1.0
197.05983	0.7
199.03998	0.6
213.05531	0.8
215.07060	4.2
215.19612	0.5
217.05009	4.8
249.15038	0.6
265.09238	1.0
275.07184	0.8
277.14371	1.5
291.10263	0.9
293.04565	1.8
293.10397	0.5
305.04501	2.5
305.07999	0.9
307.17694	0.7
317.08206	2.8
317.13947	0.9
319.06055	7.6
320.06924	3.5
333.07645	2.8
334.08420	2.5
335.09235	100.0
336.09579	6.3
374.79675	0.5
377.10068	0.7
437.25250	0.8
497.14474	75.3
498.14844	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	496.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45805	0.5
55.01807	1.1
55.27113	0.5
57.03372	1.0
58.00503	0.6
59.00850	1.6
59.01307	57.7
59.87605	0.5
61.98736	0.7
65.96851	0.5
67.01816	0.8
68.20528	0.6
69.03402	2.1
69.28853	5.5
71.00906	1.7
71.01324	24.2
72.99245	1.8
73.02895	5.8
75.00803	0.6
79.05418	0.5
80.02614	0.8
81.03409	1.9
83.01324	2.1
83.04948	0.5
85.02905	4.5
86.00019	0.7
87.00842	4.8
87.04480	1.4
89.02399	2.1
91.01830	1.2
93.03394	1.2
95.01354	1.9
97.02900	1.9
99.00830	2.2
100.45593	0.5
101.02328	4.1
106.04217	1.1
107.05000	1.5
108.02048	4.8
109.02850	2.6
113.02347	3.1
119.03436	0.7
119.04952	1.0
121.02837	5.2
122.03634	3.3
123.04491	0.8
124.01664	1.5
125.02354	6.0
125.03084	0.6
131.04987	0.7
133.02859	3.3
134.03720	0.7
135.00813	0.9
135.04500	1.1
136.01614	1.0
137.02443	1.1
143.05016	1.8
144.05820	1.1
145.02908	0.8
146.03731	1.6
147.04518	1.1
147.08101	0.7
148.01665	0.5
149.02333	4.0
150.03210	1.8
151.03992	0.7
152.01057	2.7
153.01862	0.7
157.06606	1.1
158.03781	0.8
159.04498	1.3
159.08159	1.2
159.27158	0.5
160.05290	0.6
161.02348	8.7
161.06081	0.8
163.03946	1.1
165.01933	2.2
171.08083	0.5
174.03204	1.2
175.04076	0.8
175.07652	1.8
176.01167	0.7
177.01855	4.5
185.06107	0.6
185.09756	0.7
187.04031	2.0
188.04857	1.6
189.05597	0.8
189.09135	0.7
191.10822	0.7
199.07608	0.9
201.05652	2.1
201.09282	0.5
203.07071	13.9
203.08986	0.8
203.10706	5.2
204.07542	0.9
215.07184	0.9
217.08630	0.7
219.06689	1.1
221.11765	10.4
225.37720	0.6
227.07089	1.3
229.08682	2.8
229.12239	0.8
231.10258	1.2
233.11908	0.9
239.10672	0.6
245.11784	2.7
247.09724	14.6
248.10181	0.7
249.11456	2.1
257.11902	1.9
259.13351	2.7
260.10666	1.5
261.11398	1.2
263.12946	1.1
265.10800	4.2
271.13474	1.3
273.11392	0.9
275.12851	2.9
287.12894	3.6
289.10803	4.4
299.12842	0.8
301.10910	5.7
301.14337	1.2
303.12061	0.8
307.11908	2.1
311.12863	1.0
317.10226	0.9
317.13736	0.9
319.11758	5.1
329.13910	3.4
331.11902	0.9
335.15271	1.2
347.14886	6.2
355.11774	4.0
365.16104	2.1
373.12909	3.7
377.16260	1.0
383.16968	2.7
384.17682	0.6
391.13947	20.9
392.14474	0.6
407.17029	2.9
409.15012	7.0
410.15472	0.7
425.18164	1.4
433.15222	4.9
451.16068	100.0
452.16409	7.9
454.17184	1.8
469.16852	1.5
478.17023	9.3
496.18201	99.1
497.18573	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	496.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77063	0.7
59.01251	31.3
59.66403	0.7
60.01627	0.9
61.98743	1.5
67.01801	0.8
69.03363	1.4
70.76609	1.9
71.00890	0.7
71.01251	17.0
72.99219	1.3
73.02821	4.4
79.94290	0.8
81.03384	0.7
83.01317	1.3
85.02817	4.0
87.00784	1.6
87.56206	0.7
89.02382	1.7
95.01320	1.2
97.02868	1.2
99.00827	2.1
101.02333	3.3
108.02047	3.6
109.02908	2.4
113.02414	2.2
119.04942	0.8
121.02824	9.9
122.03682	1.5
123.04514	2.2
124.01654	2.2
125.02409	1.1
131.08650	0.8
133.02853	4.4
133.06592	1.0
134.03699	1.1
135.04471	2.1
137.02396	0.8
144.82439	0.7
146.03596	0.8
147.04474	0.7
148.01631	1.4
149.02449	2.4
150.03217	2.1
152.01131	1.2
159.04541	1.1
160.03894	3.5
161.02333	6.2
161.06064	1.2
163.03972	0.9
165.01843	1.7
173.05951	1.1
174.03194	0.9
175.07521	5.4
177.01967	2.4
178.02512	0.6
180.59538	0.7
182.02223	1.4
187.03966	2.0
188.04869	1.5
189.05534	1.1
189.09256	1.1
191.10783	2.0
199.59793	0.7
201.05573	1.4
201.09354	1.1
203.07057	11.1
203.10692	3.7
217.08711	2.0
219.06689	2.9
221.11775	12.1
222.12222	0.8
229.08665	1.6
231.10344	1.0
233.11916	1.4
245.11876	3.1
247.09848	3.0
247.13460	1.2
249.11354	2.7
257.11871	0.9
259.13498	2.2
261.11325	1.1
263.12869	2.0
265.10941	1.5
273.11584	0.7
275.12958	2.2
277.10843	0.8
277.14099	0.7
287.13022	1.7
289.14594	0.9
291.12039	0.9
301.10822	1.2
319.11887	2.9
329.13931	1.8
335.14938	1.7
347.14999	2.7
365.16171	5.7
377.16064	1.9
383.17038	4.2
389.16132	0.9
391.14053	3.3
402.10397	0.7
407.17096	13.3
408.17560	0.9
409.14981	1.8
433.14774	3.6
451.16068	100.0
452.16486	8.1
469.17099	1.3
478.17200	13.5
496.18228	33.3
497.18503	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	495.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83175	0.8
59.01244	5.2
67.10621	0.9
75.00675	0.9
78.95314	2.2
78.95772	40.7
95.44706	1.0
96.96821	3.8
106.50476	1.0
141.71075	0.9
152.99483	54.2
171.00558	17.9
227.03224	3.0
229.47562	1.2
245.04279	100.0
246.04659	3.1
267.23273	54.0
268.23499	3.3
368.75607	1.0
403.21078	1.1
420.30945	1.1
430.69839	1.0
495.19968	2.0
495.27231	37.5
496.27625	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	496.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03177	0.8
57.03423	1.1
59.01054	11.2
59.01389	20.8
61.98829	1.4
62.29638	0.5
68.99825	0.7
69.69694	1.8
69.70107	1.4
71.00978	5.1
71.01420	12.8
72.99319	0.8
73.02984	2.6
81.03461	0.7
83.01401	1.0
85.03011	3.2
87.00938	1.6
89.01970	0.6
89.02471	1.1
93.03514	1.0
95.01422	0.9
95.05020	0.5
97.02969	0.7
99.00947	2.0
99.26460	0.6
101.02532	2.7
108.02280	3.4
109.03059	2.8
113.02534	2.0
119.03576	0.5
119.05084	0.9
121.03073	8.0
122.03809	1.2
123.04612	1.5
124.01736	1.1
125.02552	1.4
133.03079	4.8
133.06671	0.9
134.03835	1.6
135.04645	1.8
145.03081	0.6
146.03810	1.1
147.04567	1.0
148.01717	0.6
149.02603	2.7
150.03366	1.8
152.01173	1.1
159.04646	1.7
160.04167	1.9
160.05417	0.8
161.02615	5.6
161.06171	1.2
163.04083	1.2
165.02010	1.1
166.02866	0.5
173.06195	0.7
174.03258	1.1
175.04124	0.8
175.07552	5.2
176.04951	0.7
177.02118	2.4
182.02373	0.9
187.04164	1.3
188.04930	1.4
189.09346	1.1
191.10875	1.3
201.05740	0.6
201.09331	1.0
203.07080	9.4
203.09122	0.8
203.10696	3.7
205.12383	0.7
217.08920	1.6
218.06277	0.6
219.06802	2.3
221.08620	0.6
221.11777	11.5
222.12302	0.7
229.08948	1.1
229.12631	0.7
231.10309	1.1
235.13615	0.9
245.11743	2.8
247.09767	3.1
249.11269	2.7
257.11954	0.6
259.13614	2.0
260.10663	0.7
261.11475	1.2
261.15005	0.6
263.13101	2.2
265.11060	1.7
269.04739	0.9
273.11481	1.5
275.13107	2.0
277.11090	0.9
287.12949	1.2
289.14551	0.7
291.12387	1.2
299.13077	0.7
301.11099	0.9
301.14328	0.7
303.12564	0.6
307.11880	0.9
319.12186	1.6
329.14142	1.9
335.14990	2.9
339.34729	0.6
347.15057	2.3
365.16043	5.8
377.16153	2.4
378.63144	0.6
383.17090	2.9
389.16028	0.9
391.14133	3.2
407.17145	12.8
407.22076	0.9
408.17496	0.8
409.15048	2.4
433.15106	3.0
451.16077	100.0
452.16388	10.3
469.17099	1.6
478.17200	13.2
479.17267	0.9
496.18176	30.6
497.18442	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2597
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
57.03316	1.1
58.00465	0.9
59.01247	100.0
60.01585	1.1
61.98694	0.5
69.03333	0.4
71.01248	24.2
72.99194	1.4
73.02813	15.4
73.03240	0.3
74.03155	0.4
75.00750	0.5
83.01249	5.3
85.02814	6.8
87.00751	1.6
89.02311	8.9
89.02837	0.6
91.05403	0.4
95.01256	2.3
97.02802	0.7
99.00742	0.8
101.02319	16.2
102.02705	0.5
103.03912	1.2
108.02024	0.6
109.26460	0.3
109.65126	0.4
113.02323	16.0
114.89984	0.3
117.03348	0.6
119.03368	3.4
119.03978	0.3
119.04906	1.1
119.76512	0.4
121.02860	1.0
122.03672	0.4
123.04401	0.7
124.01550	0.3
125.02374	1.4
131.03435	1.4
131.40112	0.3
136.05194	2.1
137.02380	0.4
143.03391	1.9
149.02379	0.6
149.04527	1.1
149.06003	0.7
151.00325	0.4
151.02716	0.7
151.03958	0.4
151.07538	9.1
152.03082	0.4
152.08331	12.2
159.04454	0.3
161.02448	0.7
161.04465	4.1
165.09169	0.5
166.06291	0.5
176.04816	0.5
179.05553	1.3
186.01971	0.4
200.24336	0.4
203.07127	1.0
203.10809	1.6
217.12335	0.9
218.13109	1.1
221.11742	0.7
247.09789	1.2
261.15137	0.4
269.04678	0.5
273.15524	0.4
273.18491	1.7
274.14633	0.5
275.14899	1.3
289.10965	0.5
291.19760	1.4
301.16620	0.7
329.14023	0.5
333.13217	0.4
333.16934	0.5
333.20770	0.8
373.13049	0.4
391.14069	0.7
417.22815	0.7
435.23834	10.3
436.24280	0.9
438.23059	0.4
451.15903	5.1
453.19650	1.0
453.24982	6.1
454.25470	0.4
478.17334	0.6
495.20352	6.9
495.26437	5.9
496.18414	5.6
496.25723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.26
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
55.01757	1.2
57.03296	1.3
58.00468	0.9
59.01248	100.0
60.01577	0.7
61.98701	0.6
66.50239	0.5
69.03336	0.8
69.19447	2.9
69.19873	2.7
71.01251	26.1
72.01607	0.6
72.06174	0.7
72.99197	1.3
73.02819	20.8
83.01257	6.3
85.02809	6.3
87.00777	1.7
89.02322	11.9
89.02834	1.0
95.01311	1.8
96.95892	0.6
97.02859	0.6
99.00790	1.3
101.02316	23.2
102.02673	0.7
103.03926	1.0
106.04149	1.5
107.04906	0.5
111.00777	0.6
113.02326	15.4
119.03391	4.5
119.04948	0.8
121.02901	2.1
125.02435	0.9
131.03435	1.3
136.05162	3.0
137.06024	0.7
143.03500	2.1
149.04556	1.7
149.06093	1.8
151.07555	7.7
152.08328	11.0
161.04460	4.8
165.09245	1.5
170.05804	0.7
170.96783	0.5
175.11345	1.5
179.05681	2.3
180.04198	3.2
191.28532	0.5
203.10703	4.0
203.65590	0.5
215.10905	1.0
217.12292	3.2
218.13240	1.2
229.16145	0.9
247.17363	0.7
247.29922	0.5
251.84212	0.6
259.17148	0.7
265.09488	0.9
273.15817	1.0
273.18997	4.1
287.13187	0.9
288.13696	2.0
291.16617	1.2
291.20114	3.9
300.57004	0.6
301.17007	1.0
306.14777	0.6
333.17130	7.7
409.22900	0.9
417.23645	1.6
435.23932	24.9
436.25104	2.5
438.23785	0.8
450.18881	0.8
453.25192	17.5
454.26059	1.5
477.25870	1.2
495.27109	22.9
496.27625	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	495.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32072	0.6
50.81438	0.6
57.03313	4.0
57.97432	0.6
59.01248	100.0
60.01588	1.1
61.98709	1.2
64.97158	0.5
66.46473	0.6
66.81422	0.6
71.01260	6.9
71.52904	0.7
72.99169	0.7
73.02827	1.9
83.01259	0.8
84.62730	0.6
85.02827	8.5
87.00751	1.2
87.04376	5.5
89.02325	1.9
93.03324	2.0
99.00764	0.8
101.02303	2.9
103.03883	60.6
104.04181	0.6
106.04131	1.5
109.90963	0.6
111.00732	0.6
113.02321	2.1
117.03316	1.6
119.03452	0.7
119.04913	2.3
121.02834	3.8
123.04374	0.7
137.02263	0.8
140.03156	0.6
143.04927	0.7
147.08052	0.7
149.02312	0.9
162.03136	2.8
165.43436	0.6
173.09613	5.5
175.03961	1.0
176.04721	1.1
183.08076	1.1
187.03935	0.7
189.09120	0.7
190.66637	0.7
203.10654	1.2
217.08624	1.3
229.08641	1.2
240.93353	0.6
247.09718	11.8
261.11328	4.5
265.09229	6.7
269.04391	0.9
289.10837	3.0
291.15942	2.3
300.12506	0.8
333.17130	0.7
349.12836	1.4
351.45767	0.7
405.56140	0.8
495.18509	33.5
496.18619	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	495.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	4.3
58.00415	0.6
59.01248	100.0
60.01583	0.6
61.98708	1.0
62.92860	0.6
71.01256	4.6
71.53199	0.9
72.99184	0.9
73.02821	1.7
82.89570	0.6
83.01234	0.7
83.04906	0.6
85.02827	7.2
87.00754	0.8
87.04398	2.9
89.02315	2.2
93.03357	1.1
93.60099	0.5
101.02320	2.5
103.03886	65.7
104.04209	1.2
106.04108	1.4
109.02869	0.8
113.02325	1.9
114.30943	0.7
117.03352	0.8
119.03416	0.7
119.04883	1.5
121.02813	1.9
123.04414	0.7
127.05769	0.6
134.03581	0.9
136.03909	0.5
140.78566	0.5
143.04892	0.8
145.12242	0.6
149.02252	0.8
162.03033	1.3
163.03886	0.7
173.09647	5.0
175.11171	0.7
177.12645	0.7
182.01924	0.6
194.44446	0.7
203.10619	1.8
217.08586	0.7
229.08575	1.0
233.08266	0.7
247.07529	0.9
247.09731	11.6
247.16782	0.7
261.11298	5.6
265.09238	6.5
269.04523	1.3
289.10623	3.8
289.13858	1.1
291.15961	1.9
300.12308	0.8
340.60785	0.7
349.12827	0.8
349.18613	0.8
495.18365	30.6
496.18726	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	495.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03284	1.0
58.00437	0.9
59.01249	43.8
60.01564	0.7
61.98662	1.2
68.99671	1.3
69.03294	1.7
71.01251	34.3
72.99159	1.4
73.02815	35.9
73.20116	0.6
75.00731	0.7
78.95748	1.0
83.00832	0.6
83.01260	8.8
85.02819	5.8
87.00727	1.3
89.02310	3.2
93.03293	1.8
95.01231	1.8
95.04920	0.6
95.24617	0.6
96.95847	0.9
96.99157	1.1
97.02789	1.3
98.20640	1.2
99.00748	1.1
101.02315	21.5
102.02563	0.5
106.03471	0.9
106.04121	10.7
107.04916	2.8
108.02062	0.8
111.00719	0.7
113.02321	11.1
119.03358	0.6
119.04890	1.9
121.02785	1.8
123.04374	1.0
125.02257	0.7
131.03316	1.0
134.03574	1.3
137.02298	0.7
138.03067	2.4
143.03369	0.6
144.86086	0.5
149.02315	0.6
150.03157	0.9
152.99500	0.7
155.03368	0.8
161.04410	1.5
163.03883	1.3
164.04770	0.7
171.10278	1.0
175.00249	1.4
175.09737	1.1
175.11174	11.6
176.11421	0.9
180.04053	0.8
182.02061	1.3
185.09567	0.9
189.12769	0.7
190.02539	2.9
203.10606	0.8
205.04942	2.1
217.12199	0.9
217.97684	0.6
229.15851	1.6
247.17003	4.9
265.09320	1.1
273.15082	1.4
275.16541	2.3
286.07159	0.6
289.17923	1.2
291.16003	100.0
292.16370	5.2
301.17947	0.6
305.17615	5.2
333.17050	22.8
334.17148	1.3
345.17004	1.2
363.18198	1.1
363.39215	0.7
375.18402	3.1
407.28351	0.7
435.20111	7.5
453.25177	0.7
495.22409	79.1
496.23038	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	495.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31528	0.4
54.03950	0.5
59.01251	88.0
60.01586	0.9
61.98688	1.3
66.68835	0.5
67.01750	0.5
71.22296	0.9
79.01772	0.8
107.01276	3.6
111.15484	0.4
123.23983	0.4
171.10205	1.6
209.11794	2.9
211.13310	5.4
227.12817	1.1
249.14902	0.8
280.34061	0.5
296.80194	0.5
351.12238	0.5
435.17957	1.4
435.23557	0.5
453.18912	0.6
482.47812	0.5
495.20206	100.0
496.20621	11.7
496.27054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01583	0.9
61.98702	0.8
62.41371	0.8
69.25858	1.7
69.26261	6.6
78.95783	1.3
80.71428	0.7
101.03696	0.7
118.63232	0.7
121.02850	1.0
141.80026	0.7
160.84116	33.6
184.65417	0.7
198.09154	1.6
217.61957	0.9
222.62193	0.8
223.20560	1.7
245.04414	1.1
335.08868	1.1
428.57635	0.9
435.06705	1.3
495.93271	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	495.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42893	0.5
59.01249	7.9
61.98712	1.1
71.01251	2.1
71.52602	0.7
71.52997	0.6
80.96393	0.6
83.01228	0.7
85.02825	1.1
89.02316	1.3
101.02281	0.9
103.03918	0.8
105.82961	0.5
108.02058	0.5
109.06458	1.8
113.02338	0.8
113.57796	0.5
119.03345	0.7
119.04887	1.0
119.08546	0.7
121.02816	0.9
128.72948	0.5
135.04405	0.7
137.05894	0.5
147.04401	2.3
149.05977	1.0
154.50868	0.5
159.11662	0.6
161.05984	4.1
162.06744	3.6
163.07561	2.4
167.03397	0.7
173.06123	0.6
175.07559	11.8
176.08215	1.5
176.27899	0.5
187.07579	4.6
187.14821	0.9
189.09105	0.9
190.02744	0.7
190.09827	0.6
203.10678	3.0
205.05011	1.1
205.12340	0.7
215.10722	10.4
216.11145	0.7
217.12256	2.5
223.06046	0.6
229.08548	1.0
229.12312	1.2
230.12987	0.7
231.13860	17.0
234.12498	0.7
243.13876	0.8
245.15543	1.1
248.10571	0.8
253.33791	0.5
257.11722	1.3
259.17004	1.4
261.14786	0.7
265.09204	3.0
266.11578	1.6
271.16986	2.0
273.14978	1.6
289.14819	1.0
289.18054	21.0
290.18375	1.5
315.16068	3.5
333.17044	100.0
334.17477	6.2
348.86758	0.6
450.18265	1.8
495.21622	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	495.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.2
59.01249	100.0
59.48122	0.1
60.01588	0.7
67.01766	0.6
70.27219	0.7
74.54974	0.1
80.40855	0.2
83.04914	0.5
89.55759	0.2
95.04939	0.2
98.19946	0.2
102.54762	0.2
111.00759	1.1
114.46671	0.2
121.06506	0.4
133.06555	0.2
148.05383	0.2
156.29419	0.2
171.11748	0.3
196.03313	0.2
209.11800	0.4
210.69669	0.2
211.13400	0.7
248.81606	0.2
251.14420	0.3
267.17511	1.2
283.17026	0.3
295.17297	0.3
347.20178	0.2
381.20764	0.9
391.19180	1.7
409.20752	0.3
435.18097	3.0
436.19247	0.2
495.20212	2.9
496.20831	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01611	0.6
57.03332	0.7
57.26852	0.5
59.01250	99.3
66.11369	0.5
67.01753	3.5
68.99690	0.6
69.03334	1.3
70.84920	1.6
71.01232	0.7
72.99189	1.5
81.03326	1.0
83.04895	1.5
85.02843	1.7
95.01307	1.3
95.04901	0.8
97.02801	1.4
97.06474	1.1
107.04974	0.7
109.02808	0.8
111.00759	1.0
121.06492	1.7
139.00264	0.8
147.08017	0.8
148.05208	0.7
149.05914	0.7
149.09589	0.9
160.64326	0.6
161.09596	0.8
171.11667	1.6
175.11214	0.8
177.01805	0.7
185.13274	0.6
187.11235	1.0
189.12747	1.9
195.11647	0.6
197.09563	0.8
199.11206	2.2
213.12785	0.8
215.14334	1.0
223.11191	0.9
237.12863	1.1
239.14464	1.0
239.17973	1.4
251.14424	4.0
252.15144	0.8
255.17474	1.5
257.11856	1.3
265.15866	0.6
267.17545	8.1
269.19138	2.3
277.16022	1.1
279.13989	0.9
283.17087	2.7
285.18604	2.9
291.17517	0.6
295.13388	5.6
295.17072	2.5
313.18158	2.9
335.16504	0.8
347.16354	1.2
347.20181	1.5
363.19662	2.2
365.21100	1.1
373.18063	3.1
375.16147	0.7
381.20761	6.1
391.19147	19.6
392.19516	1.3
409.20123	2.7
417.17068	0.8
435.17987	2.8
451.21460	0.8
453.19165	5.1
495.20233	100.0
496.20520	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	495.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20556	0.6
52.93171	0.6
59.01255	2.1
61.05599	0.7
61.98721	0.7
65.03842	1.3
69.51228	1.6
69.51632	3.2
71.01263	1.0
85.02812	0.6
93.03321	0.7
107.04902	0.8
108.02058	4.1
109.02831	9.4
121.02847	23.5
122.03628	17.1
133.02864	3.0
134.03619	1.2
135.04442	1.4
137.02359	1.2
149.02342	16.9
150.03122	3.1
159.04434	2.0
161.02351	7.3
161.05951	0.8
163.07562	2.9
175.07550	2.5
175.11160	0.8
189.05455	1.0
191.10617	3.1
204.07768	0.8
231.13884	7.1
233.15561	0.8
241.12439	2.2
243.13878	12.2
259.13394	0.8
261.14935	99.6
262.15314	7.1
289.14441	100.0
290.14709	7.1
303.16315	1.2
333.13440	3.6
458.54984	0.8
495.18686	26.9
496.19199	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95636	0.4
57.03334	0.7
58.00485	0.4
59.01245	9.0
61.98715	0.9
67.01767	0.7
71.01246	4.9
72.99200	1.4
73.02837	0.5
79.62257	0.3
81.63603	0.4
83.01291	0.4
83.04933	0.7
83.91412	0.3
85.02821	2.0
87.00779	1.0
89.02321	1.9
93.03322	0.6
95.01266	0.6
95.04893	10.1
95.95127	0.4
96.95905	1.3
101.02331	2.8
103.03922	0.4
106.04120	0.4
108.02039	2.7
109.02827	3.0
111.59879	0.4
113.02352	1.4
119.03407	0.8
119.04935	0.4
119.08550	5.3
120.99503	0.4
121.02836	9.5
122.03629	14.6
123.04423	2.1
125.02385	0.3
133.02872	0.8
134.03638	1.3
135.04431	1.2
136.01529	0.4
137.02324	1.1
137.05969	0.6
139.11238	0.5
145.06477	1.1
147.04433	0.5
147.08075	0.8
149.02353	3.4
149.05977	1.7
150.03146	4.0
151.00273	0.4
151.03983	0.6
159.04396	0.7
161.02423	1.8
161.04417	0.6
161.05901	0.5
163.07544	100.0
164.07907	2.9
166.02499	0.4
173.05972	0.9
179.05620	0.4
182.02113	1.5
183.10190	1.3
187.03964	0.6
187.07610	0.7
189.05486	1.7
191.07045	18.9
192.07526	0.6
199.40770	0.4
203.07042	0.4
203.10806	0.5
207.06493	0.7
219.06555	0.5
231.13884	0.8
241.12280	0.5
243.13850	6.0
245.08012	0.5
261.14926	28.9
262.15393	1.8
265.09113	0.8
265.40701	0.4
266.09598	0.4
271.13403	7.2
271.16632	0.8
272.13742	0.5
273.14911	2.9
276.92575	0.4
287.12744	0.5
289.14499	22.7
289.17911	3.8
290.14722	0.9
315.12201	1.1
315.15897	0.9
333.13202	3.9
333.16891	13.5
333.25916	0.4
334.17380	0.7
375.14227	0.4
377.53149	0.4
395.18900	0.4
423.20276	1.8
451.19821	1.6
477.17392	0.8
495.18271	23.1
496.18326	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66794	0.4
59.01228	1.7
61.98684	0.7
65.03822	1.3
69.29064	3.8
69.29491	1.5
71.01235	1.1
73.02845	0.6
85.02808	0.9
87.00755	0.7
89.56236	0.5
93.03398	0.6
94.04079	0.6
98.19867	1.2
101.02290	0.6
108.02036	2.4
109.02835	6.6
113.02348	0.8
121.02841	45.1
122.03626	26.4
123.03986	0.6
123.67954	0.5
133.02808	4.5
134.03616	4.4
135.04408	1.4
135.08032	2.7
149.02321	7.8
150.03117	8.1
159.04428	2.5
159.11617	0.6
160.05096	1.0
161.02347	13.3
161.03693	0.7
161.06021	2.4
162.03049	0.7
162.06702	1.2
175.03954	0.7
182.02106	1.2
185.09654	2.1
187.07524	0.5
187.18341	0.5
189.05421	1.1
190.06276	10.1
203.10703	69.7
204.11046	2.8
231.10219	2.2
241.12318	2.1
243.13866	8.9
261.14926	100.0
262.15277	6.7
272.34869	0.5
277.24194	0.5
289.14438	72.6
290.14746	4.6
333.13528	2.0
451.19742	1.1
467.19092	0.8
491.62332	0.6
495.18768	33.1
496.19339	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	494.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11197	1.4
57.03318	2.0
59.01247	100.0
60.01577	1.9
60.75017	1.4
61.98692	7.4
69.03323	2.7
69.24470	12.6
71.01250	22.1
72.99193	2.0
73.02818	8.4
76.84003	1.4
79.27062	1.3
83.01253	5.0
85.02800	10.9
87.00745	1.5
89.02318	4.0
89.59521	1.4
93.03357	2.1
95.01235	2.1
96.95895	1.9
101.02320	10.7
103.03938	2.6
106.04140	3.3
107.04952	2.1
108.02025	1.9
113.02343	3.3
119.03423	1.4
119.04944	1.9
121.02812	4.2
124.01563	3.6
125.02264	2.2
138.03149	2.1
143.03358	2.2
161.02441	1.4
163.03905	1.8
166.02527	1.5
176.04669	2.0
177.05167	1.8
190.02679	2.2
220.03662	5.4
221.04123	4.0
247.16919	2.2
263.12686	2.8
265.09274	2.6
267.73688	1.6
269.04535	2.1
269.11865	3.4
275.16760	1.4
287.12842	5.3
289.14514	5.1
290.14755	3.9
291.16031	8.5
305.14005	3.5
332.15259	2.6
333.17044	1.9
390.58478	1.6
407.17038	19.3
425.18195	18.7
449.18103	15.9
450.18256	2.2
462.17627	3.5
467.19336	9.0
494.20563	14.2
495.23370	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17261	15.8
66.26216	15.2
66.82391	13.8
69.51855	100.0
70.37360	13.8
99.14826	14.3
368.86902	16.7
493.34549	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	494.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08899	0.4
61.98711	1.0
62.78822	0.5
69.21269	4.3
76.43238	0.4
85.50266	0.6
111.27381	0.4
157.54169	0.5
161.02400	0.9
176.04767	0.6
179.03384	1.2
182.95869	0.6
191.06998	0.5
194.05803	2.0
199.02655	0.9
209.08109	9.3
209.11494	0.6
211.13362	0.9
218.51750	0.4
221.14879	0.6
227.02158	5.4
228.02989	3.2
242.04485	0.8
255.01701	31.5
256.02487	24.7
257.02832	1.6
270.04065	100.0
271.04810	41.2
272.05319	2.2
284.05609	4.5
285.06415	89.4
286.07169	46.8
286.77026	0.5
287.07550	2.5
484.34601	0.5
494.14508	13.8
495.14825	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	494.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11197	1.4
57.03318	2.0
59.01247	100.0
60.01577	1.9
60.75017	1.4
61.98692	7.4
69.03323	2.7
69.24470	12.6
71.01250	22.1
72.99193	2.0
73.02818	8.4
76.84003	1.4
79.27062	1.3
83.01253	5.0
85.02800	10.9
87.00745	1.5
89.02318	4.0
89.59521	1.4
93.03357	2.1
95.01235	2.1
96.95895	1.9
101.02320	10.7
103.03938	2.6
106.04140	3.3
107.04952	2.1
108.02025	1.9
113.02343	3.3
119.03423	1.4
119.04944	1.9
121.02812	4.2
124.01563	3.6
125.02264	2.2
138.03149	2.1
143.03358	2.2
161.02441	1.4
163.03905	1.8
166.02527	1.5
176.04669	2.0
177.05167	1.8
190.02679	2.2
220.03662	5.4
221.04123	4.0
247.16919	2.2
263.12686	2.8
265.09274	2.6
267.73688	1.6
269.04535	2.1
269.11865	3.4
275.16760	1.4
287.12842	5.3
289.14514	5.1
290.14755	3.9
291.16031	8.5
305.14005	3.5
332.15259	2.6
333.17044	1.9
390.58478	1.6
407.17038	19.3
425.18195	18.7
449.18103	15.9
450.18256	2.2
462.17627	3.5
467.19336	9.0
494.20563	14.2
495.23370	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2806
Annotation	Herkesterone
Peak:m/z	Relative Intensity
59.01245	10.1
71.01242	2.7
71.52632	4.0
78.95770	8.8
100.42054	2.5
109.06479	10.3
121.06556	2.8
125.09619	9.6
152.99498	8.3
163.11153	7.4
171.00439	2.9
171.10165	14.5
183.13829	6.9
185.11795	13.4
187.09651	2.9
187.92325	2.6
201.11301	5.6
207.10175	22.6
207.13812	3.7
209.11740	7.0
211.13330	100.0
212.13690	4.3
221.15385	7.3
223.13174	2.6
225.11261	10.6
233.11734	3.0
235.13283	2.8
237.14864	2.8
245.04274	13.1
247.13443	5.3
247.81247	2.7
249.14938	8.2
265.14246	3.2
265.21710	6.8
279.23328	17.3
281.13858	2.8
299.15152	4.2
339.08002	2.8
339.23230	8.6
368.09909	2.8
372.49966	2.8
373.23926	6.3
375.25543	3.7
383.22348	17.7
401.23233	11.1
401.27942	3.0
419.24249	5.7
449.25192	5.1
457.26019	6.3
475.27069	55.7
476.27753	2.8
493.28036	44.0
494.28134	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	493.2806
Annotation	Herkesterone
Peak:m/z	Relative Intensity
50.89557	1.1
53.51980	1.1
54.90487	1.2
57.03310	1.5
59.01239	4.0
61.98691	2.2
66.83186	1.1
67.19022	1.0
67.57792	1.0
69.03319	1.5
70.65591	2.2
70.65961	2.1
72.67597	1.0
83.04893	1.5
92.04941	1.3
95.04887	3.0
97.02821	3.0
97.06456	2.0
109.06486	7.8
123.08087	1.4
123.97767	1.0
125.09609	7.1
135.08006	1.0
136.03938	1.6
161.09584	1.2
162.60115	1.0
163.11174	6.9
171.10165	2.5
181.12207	1.5
183.13791	7.8
185.11780	9.4
187.09772	1.1
189.09128	2.9
193.12233	2.5
203.14334	1.6
207.10204	25.4
209.11758	1.8
211.13335	100.0
212.13615	4.1
221.15446	3.7
222.15851	1.3
223.13269	1.3
225.11266	44.3
233.11734	1.9
249.14934	3.5
251.12794	1.8
259.32965	1.1
281.13840	3.1
299.14990	6.2
339.23138	4.0
355.22379	1.7
357.24417	2.1
373.23682	3.7
375.21558	1.7
383.22141	10.2
384.22592	1.4
395.06870	1.4
401.23123	9.4
402.24048	1.3
419.24438	2.3
447.27286	1.2
449.25232	5.6
457.25681	3.1
475.26962	33.8
476.27301	4.6
493.27966	16.4
494.28537	2.5
502.66794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97686	0.9
57.03303	3.3
59.01250	100.0
60.01589	3.4
61.01664	1.6
61.98709	6.7
69.03339	1.3
71.01254	21.7
71.43826	1.0
72.99165	6.6
73.02818	10.0
74.80510	0.9
74.95242	0.8
75.00751	1.2
75.22701	0.9
78.60879	0.9
83.01244	3.7
84.30108	0.9
85.02287	1.1
85.02824	22.7
87.00738	2.4
89.02315	6.2
93.03336	1.9
95.01266	2.0
99.00770	2.5
101.02320	14.3
103.03873	3.2
106.04062	1.1
108.02063	2.1
109.02785	3.1
111.00763	2.1
111.08028	1.1
113.02335	7.1
119.03397	1.6
119.04892	4.7
120.05270	1.4
121.02854	4.7
121.06541	1.1
125.02323	1.5
129.01842	2.1
133.02814	1.2
143.03380	1.6
145.02922	1.1
149.02361	2.1
152.01064	2.9
157.08612	3.6
159.04343	1.7
160.03886	1.8
161.02328	3.2
161.04471	3.4
163.03896	1.9
169.01459	1.1
169.62357	1.0
175.03903	1.3
175.07545	1.4
189.07487	1.1
189.09143	16.2
189.12810	1.0
191.01868	5.2
201.09254	1.4
205.04828	1.3
209.03003	11.0
245.17523	1.7
259.13315	17.1
260.13705	1.6
265.09174	3.5
269.04605	2.0
271.13477	1.5
287.12784	7.1
289.14261	6.9
305.13852	1.8
320.21429	1.1
331.15552	1.6
332.15097	2.7
373.22229	4.8
391.17874	1.0
391.23352	3.5
433.18286	1.1
433.23804	3.0
449.17828	2.3
451.23279	3.3
493.15179	1.2
493.20758	5.3
493.26636	2.1
494.20721	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	493.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92847	0.6
55.01749	0.5
56.30549	0.6
57.03319	2.0
59.01246	100.0
60.01585	1.0
61.98713	0.8
67.79276	0.5
68.75240	0.5
69.45809	1.4
69.46225	2.4
71.01249	5.8
73.02821	2.4
75.00748	1.0
83.01255	1.1
83.04884	2.6
85.02820	11.3
87.00767	0.9
89.02314	2.8
93.03371	0.5
95.01247	0.6
95.04896	1.3
99.00809	0.6
101.02317	5.1
103.03906	0.7
106.04144	0.7
107.04919	0.9
108.02061	1.3
109.02868	1.9
111.00765	1.2
113.02306	2.9
115.79734	0.5
119.03330	0.6
119.04900	1.0
119.08549	0.6
121.02835	3.4
122.03631	1.2
123.04361	0.7
129.01826	0.8
133.02835	0.7
147.02890	1.3
149.02365	1.6
150.03198	0.6
157.08649	0.8
160.03946	1.0
161.02353	1.1
161.04515	0.9
163.07550	5.0
175.07602	1.3
189.09206	1.0
191.01906	3.0
191.07082	0.7
191.10753	1.9
197.09630	0.6
209.02954	7.9
222.79172	0.5
229.18045	0.9
241.12399	1.3
246.64365	0.5
259.13361	14.6
259.15933	0.9
287.12854	6.0
288.13223	0.9
289.14499	1.8
331.12357	0.5
373.22339	8.6
391.23322	7.0
433.24686	2.4
434.24808	0.6
493.16476	1.1
493.21838	1.9
494.20294	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	493.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97686	0.9
57.03303	3.3
59.01250	100.0
60.01589	3.4
61.01664	1.6
61.98709	6.7
69.03339	1.3
71.01254	21.7
71.43826	1.0
72.99165	6.6
73.02818	10.0
74.80510	0.9
74.95242	0.8
75.00751	1.2
75.22701	0.9
78.60879	0.9
83.01244	3.7
84.30108	0.9
85.02287	1.1
85.02824	22.7
87.00738	2.4
89.02315	6.2
93.03336	1.9
95.01266	2.0
99.00770	2.5
101.02320	14.3
103.03873	3.2
106.04062	1.1
108.02063	2.1
109.02785	3.1
111.00763	2.1
111.08028	1.1
113.02335	7.1
119.03397	1.6
119.04892	4.7
120.05270	1.4
121.02854	4.7
121.06541	1.1
125.02323	1.5
129.01842	2.1
133.02814	1.2
143.03380	1.6
145.02922	1.1
149.02361	2.1
152.01064	2.9
157.08612	3.6
159.04343	1.7
160.03886	1.8
161.02328	3.2
161.04471	3.4
163.03896	1.9
169.01459	1.1
169.62357	1.0
175.03903	1.3
175.07545	1.4
189.07487	1.1
189.09143	16.2
189.12810	1.0
191.01868	5.2
201.09254	1.4
205.04828	1.3
209.03003	11.0
245.17523	1.7
259.13315	17.1
260.13705	1.6
265.09174	3.5
269.04605	2.0
271.13477	1.5
287.12784	7.1
289.14261	6.9
305.13852	1.8
320.21429	1.1
331.15552	1.6
332.15097	2.7
373.22229	4.8
391.17874	1.0
391.23352	3.5
433.18286	1.1
433.23804	3.0
449.17828	2.3
451.23279	3.3
493.15179	1.2
493.20758	5.3
493.26636	2.1
494.20721	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	493.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.6
57.03310	0.7
57.67115	0.5
59.01248	100.0
60.01590	1.6
61.01679	0.6
67.92809	0.5
71.01263	4.6
71.52989	0.8
73.02813	1.4
74.40462	0.6
83.01260	0.9
85.02815	3.0
87.00743	0.8
88.81543	0.5
89.02339	0.9
93.03353	0.9
101.02296	3.1
112.83846	0.5
113.02383	1.4
119.04893	1.0
120.99674	0.5
121.81979	0.6
161.04530	1.1
181.85300	0.6
183.96330	0.5
190.12119	0.5
209.03085	0.8
211.07640	1.1
218.97748	0.6
220.69296	0.5
289.14426	0.8
332.15268	0.7
373.22305	1.5
391.23410	4.2
392.23981	0.7
433.24298	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	493.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75070	0.6
59.01250	14.8
61.98690	2.1
71.01250	1.0
71.52109	0.5
71.52545	0.6
78.81532	0.6
78.95784	0.6
88.49886	0.6
92.35323	0.5
93.03294	0.7
95.04943	0.6
101.05949	0.8
107.04929	1.5
108.02059	4.1
109.02835	2.3
109.06478	0.6
121.02836	9.4
122.03624	11.9
123.04390	2.3
133.02802	1.4
134.03613	1.2
135.04375	1.8
145.06549	1.0
147.04407	0.9
148.03992	0.9
152.01004	1.4
157.06471	2.0
159.04439	0.8
160.84145	0.8
161.05972	0.8
163.07527	0.6
165.01831	3.4
167.78464	0.7
171.10178	1.3
175.07607	4.4
177.01862	1.5
177.09180	1.2
177.12784	2.3
188.04718	0.6
201.05504	5.9
203.07001	0.7
209.11853	1.1
211.13271	0.9
219.06589	10.6
221.08131	2.3
245.15422	41.4
246.15744	2.4
255.83325	0.6
269.15558	1.3
271.13339	7.2
289.14444	29.2
290.14795	1.6
296.14240	0.6
331.15482	0.9
351.93954	0.6
365.12360	0.9
433.18509	4.4
449.33072	3.0
452.11896	0.6
475.26923	2.1
493.20825	100.0
493.31683	8.0
494.21100	10.0
519.09137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2079
Annotation	Amritoside D
Peak:m/z	Relative Intensity
53.13250	1.1
59.01250	46.0
65.92493	1.1
69.03324	1.1
71.01253	28.1
71.39350	2.0
73.02819	46.5
73.82504	1.0
77.68977	0.9
83.01255	9.0
84.91503	1.0
85.02827	7.9
89.02321	2.3
91.33495	1.1
93.03326	6.3
95.01241	1.4
97.02842	1.3
101.02324	24.4
106.04115	11.6
107.04916	1.2
113.02331	13.7
119.04897	1.7
125.02359	2.7
131.03372	2.3
138.03114	2.3
143.04918	1.3
150.03117	2.4
154.44154	1.2
159.08051	3.0
161.04500	2.6
182.02121	2.9
187.11147	2.2
210.03085	1.0
215.14391	3.8
225.12807	3.0
227.14389	14.2
245.15402	2.6
271.13391	100.0
272.13806	7.7
273.15082	2.4
273.32117	1.1
289.14444	76.9
290.14777	5.5
295.81589	1.1
303.16016	2.7
331.15546	16.8
373.16562	2.6
391.17715	2.2
433.18637	8.6
486.43048	1.3
493.20840	78.1
494.21164	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	493.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.3
57.03301	0.7
58.00471	1.2
58.15194	0.7
59.01252	38.4
60.42329	0.7
66.77264	0.7
68.99682	1.2
69.03313	1.2
71.01250	25.9
72.99157	1.6
73.02817	42.7
77.88018	0.7
78.53902	0.7
83.01251	8.6
85.02831	6.1
87.00718	1.0
89.02316	3.9
93.03329	1.6
95.01260	1.4
96.99229	0.7
97.02841	1.1
98.19832	1.6
99.00751	1.2
101.02319	20.7
106.04126	8.4
107.04947	1.1
113.02330	11.5
116.39318	0.7
121.02836	1.0
123.08006	3.4
125.02347	1.7
131.03383	1.6
138.03117	1.9
145.06555	0.7
147.04465	0.6
149.02342	1.9
150.03075	4.3
182.02101	2.7
183.07925	0.7
187.11172	11.2
188.11574	0.7
190.06235	0.7
227.14340	3.3
229.12274	2.3
229.16005	1.3
231.10153	2.8
245.15302	2.2
271.13403	5.1
273.14963	2.3
273.87930	0.7
288.13791	0.7
289.14444	58.2
290.14670	4.2
303.15985	5.1
306.88873	0.8
331.15479	13.5
343.15359	1.8
361.16431	1.7
373.16443	2.4
391.17358	1.2
433.18600	12.6
434.18683	1.0
451.19608	1.7
452.20605	0.8
488.51257	0.7
493.20773	100.0
494.21045	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	492.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60070	0.4
59.01248	0.8
61.98700	100.0
66.84460	0.4
76.75868	0.4
78.95792	0.9
96.70345	0.4
106.06470	0.4
171.10153	0.8
209.11743	0.5
211.13437	0.8
263.46228	0.4
394.92563	0.6
425.34442	0.6
491.37396	2.1
492.26929	1.1
492.37836	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	492.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	1.3
59.01239	6.9
61.66130	0.8
61.98695	12.0
63.88279	0.7
65.64217	0.7
65.80743	0.7
65.88644	0.7
69.93696	3.0
71.01247	0.9
78.95770	31.8
78.96223	1.8
92.04875	1.1
96.96841	2.1
113.09601	1.8
125.09583	1.1
140.01102	2.4
152.39392	0.9
152.99515	5.4
171.00555	5.0
171.01843	1.0
171.10172	1.9
179.14380	1.1
195.13820	15.8
195.15561	1.4
196.03700	1.0
196.13998	1.4
196.33389	0.9
197.11754	0.9
209.11749	2.5
211.13293	1.1
214.04808	3.2
229.08641	0.9
247.13260	1.1
277.21701	15.4
278.22189	1.0
295.22757	100.0
296.23093	5.8
315.07547	0.8
373.14731	0.8
383.22372	1.0
401.23593	1.9
404.12064	1.0
419.24509	1.2
462.19208	1.2
475.27267	2.7
492.20435	4.5
492.27377	40.0
492.33655	1.8
493.27756	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.6
55.38693	0.3
57.03305	0.6
58.00457	0.7
59.01249	29.6
69.03333	0.6
69.29065	3.3
71.01250	15.2
72.99167	1.1
73.02815	16.1
76.87214	0.3
83.01257	4.1
85.02822	2.6
87.00752	1.7
89.02306	4.2
93.03333	4.7
95.01281	0.6
96.19783	0.4
99.00726	0.9
101.02317	12.6
103.03864	0.5
106.04123	13.9
107.04928	3.7
111.00743	0.5
113.02341	3.5
119.03390	1.3
119.04882	2.0
121.02809	0.8
121.06502	0.3
125.02330	0.5
138.03113	2.6
143.03340	0.6
146.07237	0.4
147.08017	0.7
149.02385	0.6
150.03120	5.7
159.08034	1.0
161.04439	0.8
163.03920	0.5
181.15891	0.3
181.88220	0.3
182.02115	5.7
183.02354	0.4
183.08110	0.4
187.11150	1.1
190.06325	0.5
203.07129	0.4
216.07733	0.4
225.12817	2.2
227.07013	0.6
227.14421	5.5
227.16481	0.9
228.14699	0.5
229.15942	14.7
230.16179	0.8
245.08142	2.3
245.15335	0.8
245.17677	0.5
265.09198	0.6
269.11719	0.4
271.13382	21.2
272.13730	1.3
273.14948	28.7
274.15234	2.1
287.12805	0.5
289.14548	1.7
289.17410	0.4
313.23727	0.4
314.13785	0.4
332.15125	0.6
389.19531	1.6
407.20554	4.1
408.20667	0.3
433.18500	3.3
433.23331	0.4
449.14435	0.8
449.23541	7.9
450.23892	1.2
451.19656	11.4
452.19855	1.3
476.16132	0.5
493.20767	100.0
494.21121	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	492.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.3
59.01248	59.6
60.01588	3.0
61.98702	4.8
68.99682	1.1
71.01249	17.1
72.29613	1.0
72.99165	1.4
73.02805	6.2
79.43482	1.1
80.04919	5.4
83.01259	2.8
83.04876	1.2
85.02800	5.9
89.02309	10.9
93.03335	2.0
95.01272	2.0
99.00777	1.7
99.25150	1.2
101.02319	10.7
108.02051	31.7
108.04493	1.3
109.02829	14.8
111.00778	1.6
113.02309	10.5
119.03395	3.9
122.05991	1.9
122.74964	1.2
124.03909	1.1
125.02325	2.7
131.54691	1.3
132.04442	21.4
134.06017	1.3
139.00253	1.4
143.03421	1.4
150.05499	20.3
151.03963	2.1
152.01048	41.0
153.01851	13.7
160.03973	1.7
161.04488	4.9
165.01820	1.3
173.04614	2.0
176.03400	9.6
179.05528	1.7
182.99257	3.1
194.04517	10.4
202.04933	2.2
218.04543	1.4
229.52094	1.1
252.28223	1.2
265.09222	2.1
315.07196	19.5
316.07239	1.4
358.14804	2.1
431.22986	2.6
432.22986	1.8
433.24448	1.5
449.23807	2.2
474.10477	17.7
492.11435	100.0
493.11914	8.7
493.22995	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44722	0.2
53.91032	0.1
55.01756	0.4
56.53255	0.1
59.00953	0.3
59.01244	4.2
67.09363	0.1
69.30311	1.4
71.01247	3.5
72.99170	0.2
73.02806	1.0
75.20429	0.1
78.95842	0.2
83.01250	0.4
85.02822	0.9
87.00749	0.5
89.01761	0.2
89.02313	2.9
91.03888	0.2
95.01250	0.3
95.54089	0.1
97.02877	0.1
101.02312	3.2
102.34402	0.1
103.03899	0.2
113.02313	1.3
115.03863	0.2
119.03383	0.8
125.02364	0.1
133.04953	0.4
143.03349	0.5
157.04980	0.2
161.04465	1.6
179.05461	0.3
192.27020	0.1
235.08200	1.1
249.40327	0.1
253.09253	11.9
254.09607	0.3
255.23251	100.0
256.23593	5.0
417.34448	0.1
481.24460	0.1
491.37619	1.7
492.37802	0.2
519.66248	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	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66212	0.4
55.01751	0.7
56.29183	0.4
57.03316	0.8
59.01247	100.0
60.01582	1.7
69.87349	0.6
69.87759	1.8
71.01250	9.2
72.99169	0.7
73.02813	3.9
74.05338	0.5
75.00724	0.5
83.01265	1.9
85.02818	3.3
86.13909	0.5
87.00777	0.8
87.04382	1.0
87.57420	0.5
89.02294	2.6
95.01251	1.2
99.00754	1.3
101.02309	7.9
113.02307	3.6
114.48652	0.4
117.71922	0.5
119.03373	1.3
121.02871	0.8
125.02347	0.8
140.76694	0.5
143.03433	0.9
160.03952	0.5
160.44055	0.5
161.04462	3.1
179.05515	0.7
193.86743	0.5
195.13806	1.0
209.04097	0.5
225.14993	1.6
227.16501	1.2
237.15038	0.7
242.62476	0.5
243.15839	0.5
248.11591	0.5
269.17712	1.1
280.08548	0.5
286.00232	0.6
359.16806	0.8
371.20685	11.3
389.21753	11.6
390.22000	0.6
406.46231	0.6
431.22784	7.8
431.28033	0.6
447.22491	1.6
458.69891	0.5
501.22623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66354	0.2
58.00444	0.3
58.61300	0.2
59.01244	3.7
65.07547	0.2
70.72840	0.5
70.73241	0.4
71.01252	3.0
73.02800	0.7
83.01250	0.3
85.02795	0.8
87.00733	0.5
88.83354	0.2
89.02311	2.6
95.01283	0.4
101.02316	3.1
113.02322	1.4
119.03396	0.7
125.02331	0.4
133.04921	0.7
142.46910	0.2
150.12004	0.2
150.19000	0.2
161.04471	1.0
235.08220	1.1
253.09261	10.4
254.09438	0.3
255.23247	100.0
256.23605	4.4
299.80267	0.2
437.71552	0.2
491.37442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33651	0.5
55.83961	0.5
59.01249	100.0
60.01590	1.9
61.01669	0.8
61.98724	0.6
64.24316	0.6
67.18666	0.6
67.46873	0.5
69.03344	0.7
71.01251	6.1
73.02810	2.9
73.79136	0.5
75.00771	0.7
75.33601	0.5
83.01266	2.0
85.02833	2.1
87.00755	1.1
89.02320	2.3
92.52348	0.5
93.03322	0.6
95.01252	0.6
95.45696	0.6
101.02329	6.6
111.00772	1.2
113.02325	3.1
119.03409	1.8
119.04916	0.6
120.99522	2.8
121.02852	0.7
129.38881	0.5
143.03407	1.4
149.04465	0.8
161.04472	2.9
190.02626	1.3
197.15337	0.8
205.05077	1.2
225.14914	0.6
239.10800	0.7
243.12317	0.7
243.15904	2.7
265.09381	0.6
343.48740	0.6
371.20609	3.5
389.21591	2.8
431.22641	3.5
491.15302	0.9
491.20743	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87589	0.3
57.03314	0.6
57.70434	0.3
59.01247	100.0
59.62935	0.3
60.01579	0.6
68.62402	0.3
69.51205	1.0
69.51633	1.2
71.01254	4.4
72.99169	0.4
73.02810	1.7
83.01273	1.2
85.02814	3.0
87.00742	0.4
89.02327	1.3
92.68724	0.3
93.03345	1.1
95.01263	0.4
98.96993	0.3
99.00759	0.5
99.40523	0.4
101.02315	3.1
103.03880	1.4
108.02082	0.3
113.02317	1.9
115.00227	0.5
117.03358	0.4
119.03501	0.6
119.04903	9.5
121.02818	0.3
143.03479	0.5
145.06517	0.4
161.04489	1.0
162.03064	0.3
163.03918	4.6
173.32220	0.3
181.12282	1.0
183.10257	0.8
199.07571	0.7
209.15543	0.4
210.06860	1.0
211.07770	0.3
212.27808	0.3
237.09242	0.9
239.10719	0.6
243.12410	1.0
249.78871	0.3
265.09222	2.0
287.12924	0.7
327.08881	0.3
345.15424	0.4
353.19791	0.7
371.20752	3.3
389.21823	2.4
431.27417	1.6
447.13199	0.5
449.22046	0.5
449.27841	1.0
491.13483	3.5
491.21414	4.4
492.13925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
59.01247	100.0
60.01559	0.9
60.77402	0.4
61.01674	0.4
69.17509	3.5
71.01253	2.9
73.02821	1.2
81.03308	0.4
81.87083	0.3
85.02831	1.5
87.00739	0.4
89.02308	0.5
92.64900	0.3
93.03321	0.6
95.01254	0.4
98.19845	0.8
99.00761	0.5
101.02310	2.1
103.03905	0.5
108.02044	14.9
109.02844	7.3
111.00723	0.3
113.02333	1.3
119.04918	0.4
121.02782	0.3
123.04417	0.4
132.02046	1.7
133.02844	1.0
134.03618	1.7
135.00761	0.8
135.04396	1.0
137.02310	0.4
149.05997	0.5
152.01057	18.5
153.01826	6.8
160.01566	8.3
160.02855	0.6
161.02371	4.9
161.04472	1.1
163.03891	0.4
175.03912	7.0
179.03394	0.6
191.06950	0.3
193.04962	1.5
199.13377	0.4
210.02960	0.4
227.03404	0.8
227.16435	0.8
228.03694	0.4
243.06580	0.5
243.12440	0.4
255.02908	1.4
256.03247	0.6
257.03470	0.5
284.03317	1.2
285.03735	1.5
286.03976	2.3
287.04480	0.9
315.07181	5.6
316.07532	0.5
323.07526	1.8
330.86169	0.4
337.09204	0.4
371.20654	1.5
389.21832	1.9
431.22623	0.8
447.13220	0.4
447.22327	0.5
491.11844	31.4
491.20990	1.3
492.12317	2.7
492.24203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.192
Annotation	Schizandriside
Peak:m/z	Relative Intensity
55.01733	3.0
56.00658	1.3
57.03296	3.0
58.00446	1.6
59.01246	75.7
63.56166	1.2
69.03302	2.9
70.42852	4.7
71.01248	45.0
72.75142	1.7
72.99146	1.7
73.02812	45.6
75.00727	1.4
77.12025	1.3
83.01255	13.1
83.04402	1.7
83.04890	31.5
85.02818	9.3
87.00692	1.8
89.02278	3.1
94.20328	1.3
95.01218	2.7
95.38045	1.2
95.93490	1.3
96.99191	1.4
97.02771	1.8
99.00744	2.0
101.01734	2.2
101.02325	25.2
106.04066	5.3
107.04926	14.9
111.00715	1.8
113.02322	14.7
119.04882	2.1
121.02802	2.8
123.08025	3.8
131.03304	1.7
134.03580	4.4
135.04318	1.6
139.95169	1.4
143.03278	1.6
147.07986	6.0
148.05183	3.1
149.02351	1.6
149.05936	1.7
150.03038	4.3
151.03827	2.4
159.08023	9.4
161.04453	1.6
161.73102	1.7
163.03845	2.2
166.02614	2.1
180.04094	4.2
182.02037	4.0
183.07872	2.0
199.13303	2.1
199.87196	1.5
203.07083	7.5
229.08461	2.2
235.77325	1.4
243.13629	3.5
265.09149	2.3
269.11557	4.3
269.14719	1.1
271.13354	2.2
271.16837	3.2
287.12872	100.0
288.12949	5.8
301.14264	2.7
329.10126	1.8
329.13940	33.0
330.14011	1.8
337.16391	1.4
341.13898	3.3
359.14667	2.1
371.14914	2.8
407.12900	1.5
431.16879	14.9
447.22256	1.7
449.21591	4.0
491.18881	77.2
491.95810	1.5
492.19177	7.8
498.95819	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23943	1.5
55.01753	3.8
57.03304	1.9
59.01247	100.0
60.78978	1.8
64.19682	1.6
65.29832	1.9
67.01714	1.4
69.03301	2.8
69.28747	3.4
69.29146	14.8
71.01250	32.3
71.55334	1.4
72.99184	4.7
73.02818	19.3
83.01262	9.8
85.02824	14.7
87.00734	4.4
89.02312	8.1
93.03323	3.4
95.01229	3.0
99.00771	5.0
101.02316	19.7
108.02055	2.0
111.00772	16.4
113.02319	9.8
119.04887	3.1
121.02823	2.9
125.02368	1.8
127.61781	1.4
135.06053	1.5
154.99663	2.8
155.14299	5.6
162.60484	1.7
173.00772	6.7
181.15862	1.7
187.18990	1.5
188.04713	1.9
199.13310	8.1
225.12764	11.0
225.14763	2.8
242.76520	1.8
243.13718	2.4
269.11862	14.4
270.11942	1.8
271.13290	3.2
287.12817	12.1
287.22256	17.9
289.14395	2.9
291.93640	1.8
329.23257	3.0
387.20282	4.3
405.21255	9.3
431.16794	4.5
431.26367	8.3
447.22336	50.0
448.22522	5.1
449.17975	7.4
449.27487	23.8
450.27502	3.1
491.19162	66.7
491.28519	66.6
491.35904	3.0
492.19662	7.6
492.28598	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	491.1906
Annotation	Aurovertin G
Peak:m/z	Relative Intensity
51.21514	0.5
55.01737	1.6
57.03318	2.7
58.00448	0.9
59.01248	41.0
67.01739	1.0
69.03310	0.7
71.01250	20.6
71.53071	0.6
72.99173	2.7
73.02813	8.8
75.00736	0.5
79.95594	0.6
81.03324	3.8
83.01260	3.9
83.08546	0.4
85.02348	0.8
85.02822	10.2
85.99954	0.6
87.00743	1.4
87.24590	0.5
89.02310	4.5
93.03329	3.8
95.01253	2.3
96.08089	0.6
97.01564	1.3
97.02838	1.4
99.00739	2.3
101.02312	10.8
102.98499	0.5
106.04121	2.7
107.01278	0.8
107.04880	1.7
108.02028	0.9
109.05230	0.7
110.64447	0.5
111.00770	1.7
113.02311	8.1
114.02662	0.9
118.06445	0.5
119.03380	0.9
119.04919	2.4
119.08546	0.8
121.02837	1.3
123.49314	0.5
124.07569	8.6
125.02335	3.1
134.05983	0.8
137.09651	0.7
138.03107	0.8
143.03368	1.2
143.04808	0.5
150.03110	0.6
151.00235	2.3
152.01009	0.7
157.06474	1.9
159.08084	2.4
161.04434	1.4
162.05493	1.2
163.03923	1.2
163.06171	1.2
172.08774	1.1
173.09612	2.3
178.04994	2.5
197.09650	0.6
199.07579	5.8
201.05421	0.8
203.07042	1.3
213.12645	0.8
215.14388	0.8
216.07712	0.9
223.11073	0.5
225.12794	9.5
227.14362	4.6
243.06581	22.4
243.13704	5.2
244.06911	2.2
244.14383	0.5
267.06580	5.0
269.11807	7.3
271.13351	7.0
285.07669	2.2
287.13974	25.3
287.22110	0.8
288.14130	1.6
303.11395	0.7
329.06619	1.0
329.15024	4.2
346.30322	0.7
349.06100	0.6
387.18375	0.7
400.27655	0.5
405.19131	2.5
431.17090	21.4
431.26443	1.4
432.17484	1.9
447.12952	3.5
449.18106	30.6
449.27960	1.3
450.18481	2.3
457.66632	0.5
490.34558	3.0
491.19177	100.0
491.28003	3.4
492.19592	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1209
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
59.01247	83.8
59.41695	1.0
60.01580	1.5
61.01667	1.2
61.60476	1.0
62.16592	0.9
62.16994	1.0
71.01257	5.2
73.02820	1.5
85.02813	3.4
91.01779	1.4
93.03337	0.9
101.02305	3.6
105.21114	1.0
108.02048	48.9
109.02155	1.7
109.02838	25.6
113.02338	1.7
121.02835	1.0
123.00790	1.1
132.02055	6.7
133.02809	4.2
134.03625	6.5
135.00764	3.4
135.04388	2.8
137.02309	1.3
149.05988	1.5
152.01050	65.8
153.01849	19.8
160.01564	29.9
161.02348	17.2
161.04376	1.9
175.03922	23.9
179.03462	3.2
193.04959	4.0
195.87437	1.0
227.03392	2.4
228.03966	2.2
229.03981	1.5
230.04375	1.0
243.06589	1.3
243.87697	1.1
255.02969	3.5
256.03271	2.8
257.03506	3.2
284.03290	3.9
285.03717	7.9
286.03986	7.4
287.04565	3.8
308.96100	1.0
310.00833	1.0
315.07172	17.7
316.07510	1.3
323.07764	3.1
337.09055	1.6
386.19818	1.1
389.21594	1.3
431.22696	1.7
436.92566	1.0
447.12973	1.9
459.09515	1.2
491.11868	100.0
492.12265	7.5
502.61276	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	8.2
69.03322	1.0
71.01244	9.3
71.51846	1.1
72.99177	1.1
73.02816	4.0
75.00737	5.8
80.05356	0.7
82.55782	0.8
84.77701	0.8
85.02811	3.1
87.00768	2.5
89.02312	21.1
91.32561	0.7
96.95882	1.6
101.02321	1.8
103.03944	1.5
111.00729	0.9
123.04390	1.4
125.02304	2.6
131.03394	6.4
149.04448	100.0
150.04808	1.7
151.44400	0.7
165.01823	1.4
165.03947	1.5
165.05397	1.6
191.05367	1.0
195.06546	2.0
227.69507	0.8
317.08591	1.0
406.53821	0.8
481.05576	0.8
491.11505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.5
59.01249	26.9
60.01591	0.6
65.03806	0.3
66.23766	0.3
67.01759	10.2
69.52208	2.4
71.01249	5.1
72.99176	0.4
73.02816	2.2
79.05376	0.4
82.38268	0.3
83.01250	1.1
85.02837	1.6
87.00773	0.5
89.02321	2.3
91.05406	7.3
92.05685	0.3
93.03336	1.1
95.01228	0.6
101.02315	2.9
103.45767	0.3
107.04891	0.4
113.02315	1.9
117.03336	0.9
118.97955	0.9
119.03382	0.9
119.04906	1.2
121.02828	1.6
123.04400	5.0
135.04410	100.0
136.04761	2.8
138.80702	0.4
143.03329	0.4
149.02257	0.8
151.03902	1.6
153.05473	47.8
154.05841	1.3
161.02354	2.5
161.04408	1.5
163.03909	24.2
164.04297	0.5
177.05440	0.4
179.03423	1.1
181.04977	29.3
182.05295	0.9
195.06525	0.4
223.06055	0.6
225.04048	0.8
243.16061	1.0
265.12280	0.6
267.05057	0.5
269.17612	0.4
276.21494	0.3
328.85687	0.4
431.22931	2.0
449.24191	0.6
491.11868	7.1
491.18488	0.6
491.23587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03291	0.8
59.01249	100.0
66.91638	0.7
69.50604	3.4
69.51008	2.0
71.01255	7.1
72.99192	0.8
73.02819	4.2
83.01265	1.0
85.02822	3.9
87.00748	7.0
89.02332	2.2
99.00765	1.5
101.02320	9.3
104.36333	0.7
113.02332	3.9
119.03382	2.3
119.83279	0.7
137.09637	2.8
143.03503	1.4
161.04477	2.4
184.35356	0.8
189.31323	0.7
195.13997	1.2
207.13733	1.0
223.13252	1.1
225.14926	11.5
233.15428	1.2
249.14944	1.1
251.16565	1.2
263.16846	1.0
267.16113	0.9
279.16159	1.3
291.15970	1.6
296.23538	1.0
297.17191	3.0
309.17194	0.8
369.19165	18.6
370.19556	0.8
378.34018	0.8
387.20178	10.9
388.20880	0.8
429.21280	9.1
479.04657	0.9
504.37234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79266	4.3
59.01237	7.3
70.77947	9.4
70.78285	8.0
83.11923	4.5
85.99989	4.8
113.99473	42.7
135.96715	4.6
156.00554	15.7
171.32561	4.9
174.01608	40.5
241.94048	4.4
254.92117	4.6
337.31018	13.3
349.30869	6.4
365.30420	6.8
393.30078	100.0
394.30487	6.2
400.07910	4.7
448.77625	4.6
489.29471	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	490.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.0
69.24834	1.7
69.25242	0.5
71.01244	0.7
73.02816	0.5
74.45789	0.2
80.27305	0.2
80.48383	0.2
85.02810	0.3
89.02328	0.4
93.68456	0.2
101.02321	0.6
119.04928	0.3
121.02841	0.3
181.61961	0.3
228.02950	5.9
241.13416	0.4
255.01585	1.5
256.02478	43.4
257.02872	2.3
270.04050	3.0
271.04834	100.0
272.05188	6.4
285.03827	0.4
285.06824	0.3
286.07184	93.7
287.07523	5.7
287.12631	0.3
329.11447	0.4
374.32831	0.3
430.11139	0.4
431.17236	0.5
449.18161	1.0
490.13736	3.2
491.19666	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	489.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.4
59.01249	100.0
60.01591	0.7
63.03553	0.2
66.23420	0.2
69.50487	1.1
69.50898	0.5
71.01247	3.2
73.02812	1.4
76.82601	0.2
83.01270	0.4
85.02812	1.2
87.00742	0.4
87.54346	0.2
89.02326	0.9
95.01251	0.3
98.20526	0.5
99.00784	0.3
101.02325	2.1
101.56477	0.2
113.02319	1.7
119.03368	0.4
137.09633	0.5
138.06738	1.4
143.03343	0.4
153.09106	5.8
153.88658	0.2
154.09499	0.3
161.04453	1.5
163.22034	0.2
207.13884	0.7
225.14905	15.6
226.15308	0.5
369.19135	4.7
370.19498	0.3
387.20285	3.3
388.20639	0.3
429.21249	8.4
430.21786	0.7
489.23605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01573	0.9
64.62478	0.3
66.60845	0.3
69.87206	1.6
69.87627	0.6
71.01263	2.4
73.02827	1.1
83.01284	0.4
85.02836	0.7
89.02328	0.7
89.65006	0.3
91.79942	0.3
98.20464	0.5
98.75075	0.3
99.47884	0.3
101.02330	1.6
113.02358	1.5
114.25502	0.4
119.03378	0.4
143.03439	0.4
161.04517	1.4
165.12761	0.6
172.02066	0.3
194.14853	0.4
195.14011	0.5
203.05675	0.7
207.13737	0.8
219.59064	0.4
225.14906	9.6
226.15205	0.6
233.39082	0.4
241.14552	1.4
369.19290	2.2
387.20343	1.6
429.21255	2.7
430.66449	0.3
489.23975	0.4
489.30667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.213
Annotation	[3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-Octahydro-2,2,5a,9-tetramethyl-, 5,10-diacetate 6-benzoate H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol
Peak:m/z	Relative Intensity
50.08574	0.4
55.01736	0.6
57.03323	1.0
59.01249	100.0
60.01595	0.7
61.98714	1.1
63.18654	0.5
71.01260	6.8
71.52792	0.5
72.99193	0.6
73.02812	2.5
83.01272	2.2
85.02826	4.4
87.00742	1.0
89.02321	1.6
93.03323	0.7
94.03180	0.4
95.01283	0.9
97.02851	0.6
99.00777	0.9
101.02316	4.4
106.75974	0.4
113.02328	3.9
115.15282	0.4
117.71860	0.4
119.03406	0.7
119.04959	1.0
121.02873	0.9
124.23084	0.4
125.02377	1.5
126.50011	0.4
143.03430	0.7
145.02847	0.6
148.05260	0.8
157.06427	0.5
161.06061	0.8
165.12753	0.8
171.10268	0.8
180.04266	0.8
183.13942	1.8
185.06082	1.4
197.15198	0.6
199.07545	2.9
201.09187	3.9
201.10986	0.6
214.09962	1.2
227.03606	0.9
227.12892	1.9
255.02896	0.6
256.06180	0.9
259.14447	0.4
267.13754	2.9
267.19885	0.6
268.06412	0.8
269.04535	0.7
269.15445	7.6
270.01532	0.6
270.03894	2.6
271.06158	2.1
272.05884	0.5
284.03436	1.8
285.04156	1.9
285.15033	2.9
285.20435	0.5
298.10873	0.5
301.07343	0.8
309.15604	0.5
309.20847	1.6
325.10931	0.5
345.30231	1.8
369.13211	2.8
399.14569	1.0
429.19342	3.3
429.25201	3.3
447.20401	9.7
447.26270	4.3
448.20703	1.1
489.10144	1.7
489.21497	29.7
489.27386	10.4
489.34232	3.1
490.21762	2.5
490.28104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.4
57.03320	4.0
59.01247	60.9
60.01581	0.5
60.13530	0.2
69.03354	0.7
71.01252	4.6
71.04899	0.2
72.99187	0.3
73.02810	3.6
79.54795	0.3
81.03346	0.5
83.01259	2.2
83.04900	0.7
85.02807	1.9
87.00743	0.5
89.02305	1.6
93.03339	0.9
95.01258	1.6
97.02854	0.3
97.06452	0.3
101.02318	4.7
103.00246	3.0
103.03896	0.7
111.00821	0.3
113.02317	4.7
119.03400	0.7
119.04880	0.4
121.06502	0.3
123.08038	1.0
125.02325	1.6
127.00282	0.4
127.51408	0.2
131.03426	0.4
132.13074	0.2
137.02303	0.5
137.09610	2.0
139.00288	0.9
139.11176	0.9
143.03389	0.6
149.04430	0.4
149.09621	2.1
151.11186	1.1
153.09085	0.3
155.03435	0.2
161.04468	1.8
165.12764	1.4
167.14325	0.8
177.12747	1.4
179.03380	0.3
179.10608	0.4
180.03685	0.4
185.04404	0.4
186.04619	0.2
193.12079	0.3
195.13829	23.2
196.14194	1.0
203.05573	0.6
205.04976	0.4
205.12262	0.4
221.06581	0.5
223.13359	0.4
225.14934	0.8
239.09119	0.4
239.13014	0.3
241.14403	100.0
242.14708	4.4
247.04640	1.4
247.13301	0.4
265.14417	18.3
266.14795	1.1
283.15570	0.4
285.04059	0.4
351.14423	2.4
369.19138	0.9
381.15219	0.4
387.20117	1.0
429.21124	0.9
489.19116	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	489.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.0
58.00468	0.5
59.01246	69.4
63.02262	0.6
68.00449	0.4
69.40160	3.4
71.01248	6.2
71.04908	0.4
73.02814	3.5
75.00734	0.6
81.63555	0.4
83.01254	1.6
83.04890	0.6
85.02825	7.4
87.00742	1.5
89.02299	3.3
91.01724	0.5
93.03344	1.5
95.01240	0.9
97.02843	0.8
99.04384	0.9
101.02319	6.1
103.03884	13.5
104.04150	0.6
107.01241	2.3
107.82218	0.5
109.02795	0.6
109.06468	0.5
113.02290	2.5
117.03352	0.7
119.03385	1.3
119.04913	0.9
119.08508	0.6
123.07909	0.5
125.02309	0.5
125.05975	0.7
132.02072	1.9
133.10133	0.7
135.00768	1.6
135.08057	1.0
137.09628	2.9
143.03384	0.6
143.04892	0.8
149.04478	0.4
151.00227	2.2
153.09047	0.8
157.06491	0.5
159.04373	1.6
159.11665	0.9
161.04475	1.2
161.09607	1.9
163.00279	2.7
163.07539	1.5
165.01808	0.5
171.04387	0.8
179.10692	2.3
181.08647	3.4
183.04520	1.0
185.02287	0.4
185.05977	2.1
187.03903	2.9
189.05431	0.8
195.04465	0.6
195.10146	0.6
197.06094	0.9
197.11749	12.5
198.12164	0.9
199.03952	0.9
207.13820	1.3
211.03893	3.1
211.99519	0.5
213.05473	1.3
221.11786	0.7
223.09697	2.4
225.15068	0.5
227.03433	31.1
228.03807	2.0
229.04988	9.3
229.14322	1.1
230.05156	0.8
239.03448	1.9
240.04092	0.7
241.05038	1.5
241.10742	8.5
241.14351	0.7
247.07983	0.8
255.02951	62.5
256.03421	6.3
257.04565	3.8
265.09268	9.0
267.03024	0.9
283.02374	1.1
283.11847	4.1
284.03238	68.0
285.03998	100.0
286.04337	5.9
313.12952	0.8
343.13934	3.1
347.13409	0.7
369.19165	0.8
387.20020	1.1
403.16043	3.2
427.19571	1.4
429.08176	2.2
429.17163	3.2
471.18457	1.3
489.10303	27.8
489.19669	46.1
490.11475	2.1
490.19806	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	489.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	7.1
57.59238	2.3
59.00958	4.9
59.01249	100.0
63.51399	2.3
69.03316	13.7
71.01246	33.9
72.99159	3.4
73.02821	14.1
75.00754	4.4
83.01256	4.5
84.84333	2.2
85.02814	16.0
85.45333	2.1
87.00771	3.0
89.02308	9.2
93.03316	5.1
96.99180	2.7
99.87969	2.3
101.02344	17.2
103.03892	7.0
109.02837	2.7
113.02299	11.0
119.03358	2.9
119.04855	4.9
121.02897	3.9
123.04419	2.5
125.02305	3.9
137.02348	3.9
138.06721	5.7
149.02351	7.9
150.03136	2.8
153.01793	3.2
153.09122	13.8
161.04422	8.4
164.04675	5.9
166.02638	3.4
175.00264	7.1
179.03416	6.4
181.04976	3.2
190.02654	23.4
191.03305	3.6
197.15422	7.7
205.05043	20.9
207.03014	3.1
211.07545	3.5
223.06039	7.2
227.03458	15.5
241.14384	54.0
255.02930	24.0
265.09195	9.9
284.03192	17.6
285.03943	8.2
288.77808	2.6
307.10449	3.1
327.08505	5.3
340.29755	2.5
405.21280	5.8
429.21161	4.5
445.20627	6.5
447.22342	21.2
471.15173	4.4
489.09781	19.9
489.16592	25.8
489.22934	4.4
490.16306	3.7
510.83835	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	489.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	4.6
58.01327	0.4
59.01247	63.9
69.03333	0.6
69.23698	4.0
71.01248	4.1
73.02816	4.3
73.31467	0.4
81.03323	0.6
83.01238	2.1
83.04899	1.0
85.02821	2.3
89.02335	1.0
93.03345	1.0
95.01268	1.6
101.02307	4.4
102.99652	0.4
103.00256	2.6
112.83758	0.4
113.02331	3.9
119.03362	0.8
123.08035	1.1
125.02326	1.5
137.09605	2.1
139.00261	1.0
139.11180	0.9
143.03450	0.7
149.04488	0.4
149.09633	2.6
151.11203	1.1
161.04468	2.0
164.13977	0.3
165.12732	1.9
167.14342	0.9
168.82402	0.4
177.12744	1.8
179.10687	0.9
195.13829	26.1
196.14120	1.3
203.05576	0.5
205.12491	0.6
221.06563	0.8
223.13197	0.7
225.14938	0.5
239.12778	0.5
241.14407	100.0
242.14729	4.1
247.04517	1.8
247.13315	0.6
265.14407	19.8
266.14841	0.8
282.05307	0.5
283.15503	0.5
351.14386	2.7
357.80234	0.4
360.76151	0.4
369.18930	0.9
381.15555	0.5
387.20187	0.7
429.21304	0.8
471.18344	0.4
489.18961	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03292	1.5
59.01248	34.6
69.53616	1.0
69.53938	10.0
71.01249	16.3
73.02811	6.8
75.00725	2.3
83.01244	4.2
83.09142	1.3
85.02814	10.5
87.00775	1.5
89.02296	11.7
93.03316	2.5
99.00752	2.4
101.02316	11.2
103.03868	10.2
113.02309	7.0
114.88728	1.2
119.01283	4.1
119.03358	3.7
119.04885	1.6
121.02825	3.6
121.04940	4.7
134.03528	1.5
135.04362	1.5
143.03334	1.3
143.04987	1.5
147.00856	1.6
149.02322	18.0
151.00255	1.7
151.53481	1.3
152.01074	1.5
161.04439	2.4
163.03873	3.2
164.04677	22.4
165.05087	1.2
166.02592	4.6
175.00273	28.1
176.00841	1.5
179.07031	3.9
181.04947	5.1
190.02631	78.5
191.03098	4.6
197.15515	1.8
205.04988	100.0
206.05435	4.8
208.03691	1.9
209.04524	1.8
211.07584	2.1
223.06059	52.4
224.06340	2.2
241.06992	1.9
241.14304	3.6
247.08191	3.1
265.07013	5.6
265.09488	11.2
265.14484	1.4
283.11908	1.4
307.10342	11.4
327.05011	1.4
327.08807	3.5
367.10330	1.5
377.05072	1.3
386.70547	1.4
429.20944	1.3
447.22189	3.4
457.38043	1.5
471.14932	7.8
474.13965	1.9
489.16104	97.9
490.16068	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	489.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	19.6
71.01248	100.0
71.51627	2.5
72.99174	27.5
74.01681	2.0
76.97378	2.0
85.02811	3.8
87.00738	28.9
89.02320	13.6
89.36187	1.9
93.03320	3.6
93.20307	1.9
101.02297	4.7
113.02335	3.7
115.00251	26.6
119.03392	2.3
119.04903	15.5
123.04426	1.9
129.01817	8.4
130.87381	1.8
133.01253	2.0
147.02881	77.0
147.06519	7.2
163.03899	7.7
179.05519	4.8
191.05505	10.2
210.06592	2.3
211.07578	9.0
227.03314	2.7
237.09163	7.9
239.10722	5.5
255.02855	4.9
317.75360	2.2
341.10822	25.1
489.14172	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	489.1612
Annotation	Erythroxyloside B
Peak:m/z	Relative Intensity
57.03292	1.5
59.01248	34.6
69.53616	1.0
69.53938	10.0
71.01249	16.3
73.02811	6.8
75.00725	2.3
83.01244	4.2
83.09142	1.3
85.02814	10.5
87.00775	1.5
89.02296	11.7
93.03316	2.5
99.00752	2.4
101.02316	11.2
103.03868	10.2
113.02309	7.0
114.88728	1.2
119.01283	4.1
119.03358	3.7
119.04885	1.6
121.02825	3.6
121.04940	4.7
134.03528	1.5
135.04362	1.5
143.03334	1.3
143.04987	1.5
147.00856	1.6
149.02322	18.0
151.00255	1.7
151.53481	1.3
152.01074	1.5
161.04439	2.4
163.03873	3.2
164.04677	22.4
165.05087	1.2
166.02592	4.6
175.00273	28.1
176.00841	1.5
179.07031	3.9
181.04947	5.1
190.02631	78.5
191.03098	4.6
197.15515	1.8
205.04988	100.0
206.05435	4.8
208.03691	1.9
209.04524	1.8
211.07584	2.1
223.06059	52.4
224.06340	2.2
241.06992	1.9
241.14304	3.6
247.08191	3.1
265.07013	5.6
265.09488	11.2
265.14484	1.4
283.11908	1.4
307.10342	11.4
327.05011	1.4
327.08807	3.5
367.10330	1.5
377.05072	1.3
386.70547	1.4
429.20944	1.3
447.22189	3.4
457.38043	1.5
471.14932	7.8
474.13965	1.9
489.16104	97.9
490.16068	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	489.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20919	1.2
56.59230	1.3
57.03316	2.5
59.01249	86.5
63.02110	1.2
63.98610	1.2
67.01771	3.4
68.99659	1.6
69.03318	1.9
69.07277	1.4
71.01254	13.4
71.48383	1.5
71.53616	1.7
72.99178	15.1
73.02824	5.7
83.01262	6.1
85.02814	15.0
89.02340	2.3
93.03327	6.0
95.01283	2.8
99.00742	3.5
101.02325	6.8
111.00761	73.6
113.02319	7.1
115.03925	1.4
119.04910	9.1
121.02824	2.3
125.02338	2.4
125.09641	2.0
129.01785	2.3
134.64748	1.4
143.03381	9.3
143.76463	1.6
149.06007	2.5
154.99757	12.1
157.44592	1.7
158.68979	1.3
161.04500	1.9
169.06473	5.0
173.00822	22.8
182.07272	5.4
183.08049	1.7
183.13834	2.1
187.02409	4.4
197.09642	37.0
198.09966	2.8
205.03455	33.2
206.03868	1.7
211.11194	4.5
213.12735	15.4
227.03500	3.1
227.10771	1.9
241.14473	1.8
245.11743	1.9
255.02983	4.1
257.11813	6.4
269.04642	2.6
271.06097	2.7
276.70828	1.4
279.10522	1.6
284.03287	5.2
285.03995	4.2
299.25919	1.9
301.10791	100.0
302.11203	7.6
345.29959	6.6
369.13397	3.8
399.14310	1.6
429.24481	2.1
489.10428	2.7
489.22809	4.3
489.34354	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	80.1
59.97763	0.9
62.34624	1.0
67.01745	4.1
69.24859	2.5
69.25262	8.2
71.01250	1.7
72.99181	11.7
73.02806	3.4
73.03627	1.0
83.01270	2.5
85.02816	3.8
93.03319	4.9
98.20577	2.0
99.00757	1.2
99.04412	1.1
101.02351	1.3
104.97469	1.0
111.00759	66.4
115.03920	1.2
129.01845	2.4
130.77760	1.0
133.02884	1.5
136.30042	1.0
143.03404	12.5
149.05984	13.1
154.99760	9.3
161.05914	1.0
173.00832	21.7
182.07254	11.6
183.08073	1.2
187.02406	6.8
197.09639	100.0
198.09933	5.0
202.09677	1.1
205.03462	28.6
211.11243	16.3
212.11778	1.2
213.12724	2.8
227.10677	8.3
240.05998	1.0
245.11836	7.3
257.09225	2.0
257.11816	22.1
258.12164	1.2
285.04056	1.4
301.10788	61.0
302.11145	4.3
424.74988	1.0
437.46103	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67753	0.8
59.01250	53.4
64.40072	0.8
67.01749	3.4
71.01273	1.1
71.32589	1.8
72.99174	10.5
73.02822	3.7
76.14179	0.8
83.01251	3.1
85.02830	3.5
93.03332	2.7
99.00770	2.1
101.02313	2.1
111.00767	56.5
112.01089	1.1
121.02872	1.1
129.01822	1.1
143.03441	7.3
149.05966	6.1
151.93190	0.9
154.99773	7.2
173.00832	16.5
182.07298	7.3
187.02409	4.9
195.08203	1.9
196.08720	1.4
197.09648	55.5
198.10010	2.7
205.03467	25.8
211.11203	6.2
212.11882	1.2
213.12750	1.6
216.96013	0.8
220.45677	0.8
227.10706	2.6
245.11800	2.8
257.05389	0.8
257.11768	4.2
270.04138	1.2
271.04901	1.4
286.07208	2.8
301.10794	100.0
302.11145	7.7
316.75864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.14
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61490	0.6
56.86424	0.7
59.01248	60.4
60.01581	0.8
67.01765	3.4
69.18493	7.4
71.01249	2.0
72.99175	10.0
73.02808	4.2
83.01260	2.7
83.89462	0.9
85.02823	4.0
93.03323	3.3
99.00758	1.0
99.04394	1.0
101.02306	2.5
107.04858	0.8
111.00760	68.3
112.01101	1.0
115.03919	1.2
121.02862	0.9
126.98583	0.7
129.01820	2.0
143.03409	9.3
149.05965	6.6
154.99757	9.6
161.05908	1.0
173.00821	20.1
182.07278	9.6
187.02415	5.6
195.08112	1.9
196.08856	1.4
197.09642	68.0
198.09973	3.6
205.03461	33.0
205.05420	1.3
211.11240	9.6
212.11887	0.9
213.12794	2.1
227.10744	4.9
228.02876	0.9
245.11798	4.1
255.01501	4.3
256.02481	11.8
257.11841	6.8
270.04031	15.7
271.01898	1.7
271.04825	28.0
284.03180	0.9
285.03784	1.1
285.06421	5.0
286.07187	51.9
301.10788	100.0
302.11209	4.4
366.23557	0.9
455.05002	0.8
489.26865	2.1
490.13437	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1041
Annotation	Maritimetin 6-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03318	2.0
59.01250	63.3
63.02269	0.8
65.00182	0.9
69.29064	2.3
69.29490	1.0
71.01254	6.2
72.99210	0.5
73.02805	2.6
77.54227	0.5
83.01267	1.4
83.04909	0.4
85.02826	5.3
87.00742	0.9
89.02292	2.0
93.03355	1.4
95.01281	0.7
97.06465	0.5
99.00783	0.4
99.04422	1.1
101.02303	3.8
101.02919	0.4
103.03890	8.3
107.01252	2.2
107.80100	0.3
108.02036	0.6
109.02792	0.8
111.00778	0.4
112.51460	0.4
113.02339	2.4
119.03381	1.2
119.04890	0.7
121.02809	0.6
131.03566	0.4
132.02081	1.4
135.00761	2.5
135.08061	0.6
137.05962	0.4
137.09621	2.7
143.04922	1.0
151.00261	1.2
151.11115	0.5
154.04185	0.3
154.97992	1.0
157.02893	0.3
157.06520	0.9
157.74156	0.4
159.04411	1.3
159.11710	0.7
161.04512	1.3
161.09648	1.4
163.00235	2.6
163.07527	1.2
164.01056	0.9
165.01910	0.4
167.04939	0.9
169.06497	0.5
171.04407	0.9
179.10728	1.3
181.08572	2.0
183.04414	1.4
185.02374	0.9
185.05954	2.4
187.03900	3.5
189.05493	1.0
195.04424	0.8
197.06071	1.0
197.11761	5.2
198.11913	0.4
199.03902	1.1
201.05475	0.7
207.13806	0.8
211.03952	2.6
213.05490	1.9
215.03465	0.5
217.11792	0.4
223.03784	0.3
223.09653	1.4
225.14885	0.4
227.03447	33.2
228.03844	1.6
229.04991	11.0
229.14421	0.7
230.05261	0.5
239.03569	1.8
239.07309	0.5
240.04178	0.8
241.05069	1.8
241.10794	5.2
253.19830	0.4
255.02959	67.3
256.03461	6.8
257.04483	6.9
258.04971	0.4
265.09293	4.8
267.03067	0.7
283.02524	1.6
283.11868	2.8
284.03253	74.0
285.04013	100.0
286.04376	5.7
297.12665	0.5
313.12854	0.4
343.13931	2.6
351.24640	0.3
369.19138	0.8
378.25623	0.4
401.12564	0.4
403.15976	2.4
429.08197	2.1
429.17654	1.5
471.18561	0.5
489.10336	29.6
489.19720	27.7
490.10864	2.5
490.20023	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	488.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87120	1.3
53.94753	1.1
57.03315	2.3
59.01250	55.0
69.03332	3.5
71.01248	28.0
71.52470	2.2
71.85447	1.1
72.99172	2.2
73.02815	9.0
74.77387	1.4
78.95778	2.3
81.03331	2.4
83.01264	3.9
85.02819	14.4
87.00761	3.5
87.04384	1.8
89.02303	8.6
95.01264	3.7
99.00769	2.8
101.02324	11.6
103.03894	5.1
111.00774	2.1
113.02330	11.8
114.84601	1.4
119.03413	1.9
129.01941	1.4
129.05745	2.5
132.87938	1.6
137.02379	2.3
155.07309	5.5
156.66998	1.4
161.04655	2.7
165.12895	1.5
166.05109	1.3
184.11224	27.2
185.11624	2.4
187.06317	4.9
196.11264	2.3
198.12871	2.8
210.12816	30.6
211.13100	1.6
223.13484	2.1
226.12344	10.2
238.15964	2.0
251.13142	5.6
252.13876	2.0
254.15395	1.5
264.14053	2.3
265.09262	4.7
265.14658	13.5
266.15521	24.6
267.15808	1.7
268.17044	2.7
280.13278	1.8
283.22882	1.5
284.03299	1.7
284.16583	5.1
291.19403	1.8
428.20737	100.0
429.21091	10.7
446.21832	48.3
447.21909	4.5
488.23108	7.4
488.34766	1.7
489.23468	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	489.1034
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
59.01251	10.2
63.02254	0.5
65.00206	0.5
65.64861	0.4
83.01237	0.6
93.03340	0.8
98.20551	1.0
107.01261	2.2
109.02831	0.8
117.03413	0.4
132.02049	1.8
135.00789	2.1
143.04874	1.0
151.00259	1.4
156.81966	0.3
157.06509	0.6
159.04411	1.2
163.00249	3.0
164.01039	0.9
165.01842	0.4
169.06506	0.5
171.04381	0.7
183.04407	1.0
185.02368	0.6
185.06007	2.3
187.03905	2.5
189.05516	0.8
195.04427	0.5
197.05948	0.9
199.03827	1.0
200.04579	0.5
201.05499	0.4
211.03929	2.8
212.04477	0.4
213.05504	1.8
227.03432	35.5
228.03806	2.2
229.04982	11.4
230.05309	0.4
239.03438	2.1
240.04211	0.9
241.04913	1.6
255.02953	72.5
256.03485	6.6
257.04529	6.3
267.02878	0.6
283.02411	1.1
284.03244	90.2
285.04001	100.0
286.04385	6.2
327.05261	0.6
475.48050	0.4
489.10352	40.2
490.10748	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	488.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28352	0.2
56.01630	0.2
57.01202	0.2
59.01245	2.3
61.98642	0.2
65.03468	0.2
65.03819	1.2
67.01767	0.3
68.99697	0.3
69.03326	2.5
71.01252	0.7
79.01765	0.7
81.03328	6.9
83.01258	0.3
85.02830	0.9
91.01759	0.8
93.03326	0.6
94.02888	0.3
95.01271	1.3
96.04426	0.3
97.02827	1.7
99.05511	0.4
101.02345	0.2
107.01279	1.2
108.02049	21.7
108.04405	1.0
109.02833	54.9
110.02508	0.3
110.03143	1.6
111.82568	0.2
113.02311	0.2
119.04958	0.5
120.04435	19.2
121.02830	2.9
121.04769	0.7
122.02335	0.4
123.00761	1.2
123.03100	0.2
124.03925	2.9
125.02321	4.0
133.01595	0.8
133.06419	0.3
134.02382	1.5
135.00775	6.3
135.04379	0.2
136.03960	0.2
137.02353	0.6
151.00290	0.3
152.03415	2.6
153.01813	0.5
154.62587	0.2
157.77580	0.2
160.07608	0.7
164.03438	1.0
165.04250	0.2
174.09091	1.5
177.10187	1.0
178.05022	0.8
191.11790	0.7
192.06503	1.3
206.08139	1.8
217.13412	0.2
229.05049	0.2
229.13361	0.5
255.03023	0.3
271.06168	0.8
274.15540	0.4
281.12921	9.6
282.13080	1.2
284.03220	0.3
285.03906	0.3
295.14496	3.3
301.07245	0.4
313.11856	2.3
327.13477	1.6
349.15598	0.3
352.20276	3.8
353.20383	0.7
366.18195	0.4
367.16620	0.4
369.13449	1.0
378.18079	1.4
379.18417	0.4
399.14551	0.6
454.21381	0.3
460.22763	1.3
461.22897	0.5
465.91257	0.2
467.39398	0.2
488.21884	100.0
489.22226	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	4.1
59.01249	100.0
61.98685	3.9
68.01282	3.3
69.35521	25.0
71.01254	30.0
73.02811	6.1
83.01247	11.5
85.02822	15.3
85.70305	2.7
89.02300	4.5
93.06917	2.7
95.01228	4.4
98.19769	5.1
99.00742	5.9
101.02331	16.7
108.02053	3.6
110.02354	4.0
111.00755	4.0
112.01526	3.1
113.02316	12.3
121.02808	2.7
125.02257	3.4
126.95203	2.8
146.63231	2.8
156.38693	2.9
161.04385	5.1
197.32288	2.5
227.03351	3.8
227.07040	3.4
239.07109	4.6
271.06085	6.9
284.03223	8.7
285.03912	5.5
339.12848	2.9
344.28925	3.2
369.13177	4.6
428.13290	2.6
429.24817	9.7
447.26019	20.6
457.20441	2.9
465.11453	3.3
487.32718	6.1
488.33023	9.7
489.17712	10.5
489.26984	36.9
489.34064	6.5
506.46262	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	487.3424
Annotation	22beta-Hydroxystellatogenin
Peak:m/z	Relative Intensity
57.03453	0.5
58.00326	1.0
58.00625	0.8
59.01080	4.0
59.01425	3.7
71.01073	1.2
71.44182	0.7
71.44524	0.5
73.02694	0.8
73.03033	0.5
84.87951	0.4
85.06259	1.5
85.06799	0.8
86.82629	0.4
97.06287	1.0
107.62118	0.5
110.85536	0.4
115.07541	0.5
137.09343	1.8
341.28287	0.9
355.26370	6.5
367.26193	1.6
369.27924	19.7
370.28122	1.5
375.26630	0.8
381.27975	10.8
382.28214	1.2
393.27939	6.5
394.28220	0.6
397.27246	1.3
399.28992	7.3
400.29303	0.7
401.33908	0.7
411.28986	4.6
412.29529	0.6
413.26044	0.5
429.30042	100.0
430.30383	11.5
430.36304	0.5
443.35443	0.7
451.32028	0.5
469.33255	1.9
470.34119	0.6
487.34366	22.6
488.34641	3.3
510.89297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65495	0.9
57.03325	1.8
59.01249	100.0
60.01577	1.6
61.98685	1.3
62.47260	0.9
68.01279	4.8
69.03317	1.0
71.01250	12.2
71.52588	1.4
73.02813	4.2
82.46320	1.1
83.01243	1.9
85.02831	4.5
87.00770	1.1
89.02348	1.1
93.03337	4.0
95.01254	1.4
97.02773	1.4
99.00765	1.5
101.02305	6.1
107.04911	1.0
110.02339	4.0
111.00708	1.1
113.02316	6.4
119.03463	1.3
119.04874	1.8
125.02354	1.0
126.37207	0.9
133.02879	1.1
147.08139	1.3
157.12456	1.3
161.04424	4.0
172.73499	1.0
188.99796	1.0
203.05432	4.9
213.56700	1.0
223.06302	3.0
227.07079	8.2
229.14310	1.1
230.06685	7.4
239.07079	7.1
250.08636	3.0
255.02898	1.3
271.06152	1.1
281.08121	2.3
284.03076	2.1
285.04037	2.2
369.13388	1.4
428.20819	2.7
446.21857	5.8
447.26279	1.3
487.32861	1.6
488.16898	2.3
488.22861	8.3
488.33221	1.9
489.09741	1.2
489.22574	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00954	5.6
59.01250	100.0
59.46112	2.2
67.01749	2.4
69.63270	2.3
71.01276	16.0
71.39742	2.4
73.02821	4.9
81.36677	2.3
83.01215	3.9
85.02825	6.9
89.02303	3.2
96.35483	2.8
101.02328	9.7
107.04905	2.7
109.06467	9.2
113.02322	5.9
163.36339	3.1
187.94505	2.4
195.13826	3.8
197.90747	2.4
265.03751	3.5
275.20200	6.1
362.82562	3.2
385.27704	3.6
401.25558	6.9
487.14618	3.6
487.20801	5.2
487.31393	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	487.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51200	0.3
53.60279	0.3
59.01247	100.0
60.01580	0.8
60.75419	0.3
66.58745	0.3
69.41090	2.7
71.01243	1.7
73.02825	1.0
75.00737	0.4
83.01248	0.3
85.02863	0.4
89.02307	0.7
92.89749	0.3
98.19801	0.6
101.02337	1.1
104.93025	0.3
113.02341	0.4
121.02830	0.3
125.88432	0.3
131.79587	0.3
160.03944	0.5
161.04474	0.6
176.26578	0.3
205.12306	0.4
283.15616	0.3
358.47205	0.3
385.18808	1.0
487.17419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01573	0.8
70.13612	2.7
71.01259	2.8
73.02814	3.7
75.08070	0.6
76.13360	0.6
85.45690	0.6
89.02321	0.8
101.02315	3.4
108.92975	0.6
113.02331	1.1
205.12250	2.7
241.50919	0.5
392.21313	0.5
408.96558	0.5
442.97827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80048	1.1
55.01741	4.7
57.03318	13.2
58.00460	1.7
59.01248	68.9
69.03319	3.8
69.11120	1.1
69.48074	7.3
69.48483	2.3
71.01251	83.8
71.04874	4.8
72.99174	3.2
73.02441	2.1
73.02814	24.8
81.03309	1.3
83.01254	17.2
83.04897	2.6
85.02821	55.7
85.06487	1.5
87.00742	5.0
88.69034	1.3
89.02316	11.8
93.03374	1.4
94.89674	1.5
95.01263	12.6
95.04910	1.3
97.02831	3.2
97.06441	2.0
98.19854	3.2
99.00753	11.4
101.02316	43.2
107.04831	1.3
108.02093	1.3
109.06450	2.1
111.00741	3.0
111.08022	4.4
113.02327	58.7
115.03891	22.4
119.03382	3.3
119.04898	2.0
121.02834	1.6
121.10068	2.0
124.01585	1.7
125.02298	3.7
143.03365	5.8
143.10693	4.3
150.31285	1.5
159.02856	3.7
161.04448	20.5
165.12744	43.3
166.13121	2.0
181.12233	2.2
183.13820	100.0
184.14166	3.7
197.15315	2.8
201.11128	1.2
209.11728	6.4
211.13315	1.8
227.12830	18.4
233.10271	7.7
251.12877	2.6
277.09274	23.2
287.14981	1.9
293.13950	5.1
302.24362	1.4
325.27463	3.0
329.15936	1.7
343.28467	9.9
367.11700	4.6
371.17139	2.1
443.22885	23.7
444.23431	1.9
445.24258	1.5
469.20676	1.8
487.21680	85.4
487.32620	45.6
488.22305	6.4
488.33005	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22995	0.3
57.03318	2.0
59.01246	100.0
60.01578	0.8
69.03320	0.5
71.01246	10.9
71.01619	0.8
71.23207	0.7
72.35976	0.4
72.99162	0.6
73.02814	21.5
83.01256	6.0
83.04896	0.6
85.02835	1.6
89.02327	1.9
90.16507	0.4
93.48178	0.4
95.01283	1.1
97.02861	0.5
97.06467	0.9
98.03625	0.6
98.38614	0.4
101.02313	16.4
103.00272	0.5
108.02074	0.7
113.02334	5.8
119.03412	1.3
120.25834	0.4
123.08051	0.7
125.02329	0.8
131.03403	1.1
137.09634	1.1
143.03412	1.5
149.04446	2.8
149.09618	1.2
155.03403	0.6
159.23917	0.4
161.04449	5.5
163.11238	0.9
165.09164	0.9
165.12804	0.4
167.14328	0.4
177.12717	0.6
190.02721	0.8
195.13828	6.7
203.05539	0.6
205.04994	0.9
205.12244	0.5
215.10674	0.4
221.06688	2.3
221.11929	0.4
223.06081	0.6
223.13342	6.5
229.12387	0.6
235.13303	1.9
237.09285	0.7
237.14948	2.0
239.12851	8.8
247.13376	1.6
263.12741	2.1
265.14429	3.9
281.08917	0.8
286.61725	0.4
290.50391	0.5
334.00372	0.5
487.18207	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.2
57.34694	0.5
59.01247	100.0
60.01582	1.1
63.58004	0.5
67.08428	0.5
69.03310	0.6
71.01250	9.7
73.02814	14.7
74.03131	0.5
75.00694	0.5
79.11903	0.5
83.01255	5.4
85.02840	1.5
89.02306	3.5
101.02314	16.5
103.03889	0.7
108.02066	0.7
113.02329	6.7
119.03415	2.2
125.02324	1.1
130.23352	0.6
131.03415	2.0
143.03421	2.2
149.02380	1.1
149.04451	3.9
151.03929	0.9
153.01720	0.5
155.03397	0.7
160.03940	7.8
161.04384	10.0
177.05498	1.1
195.13809	2.5
201.75688	0.5
203.05544	0.9
205.05029	1.2
221.06621	3.2
223.13446	0.6
226.13878	0.6
239.12854	4.4
263.12967	0.9
265.07101	0.6
281.08795	1.7
314.28058	0.6
324.11612	0.8
325.12155	0.6
336.08212	0.6
367.08936	0.6
368.32083	0.6
466.84561	0.5
487.10696	0.8
487.18198	1.6
509.27121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32568	0.5
54.77252	0.5
57.03314	1.6
59.01247	23.6
62.58739	0.4
71.01253	4.8
71.30079	1.1
73.02821	1.4
75.00735	0.5
83.01229	0.5
85.02823	11.2
85.03297	1.0
87.00748	0.8
89.02317	1.5
93.03331	24.6
95.01253	1.5
99.04372	0.5
101.02319	2.6
103.03886	17.9
104.22591	0.5
107.04898	1.4
108.02034	0.8
109.06503	0.6
113.02328	1.6
119.01314	0.6
119.03384	0.7
119.04912	0.8
120.79335	0.5
121.02916	0.5
135.04410	1.0
136.01549	5.7
136.21762	0.5
137.02339	28.3
145.04958	0.5
147.00752	0.6
149.02364	3.7
150.03099	0.7
151.07478	0.9
161.04419	0.8
163.03831	0.6
164.04674	2.1
165.01863	0.5
175.00249	4.3
179.03416	23.1
179.10730	0.5
180.03755	0.9
190.02637	12.7
205.05008	15.4
205.12231	1.4
206.05428	0.8
209.04527	1.4
217.27383	0.5
222.53596	0.5
223.06070	4.2
223.13374	2.0
233.04436	0.5
239.05666	3.5
239.09222	17.2
239.12773	1.1
240.09459	1.1
241.14471	2.0
247.08257	0.9
253.10727	1.2
265.09311	2.2
265.14310	0.6
296.06888	1.4
299.09238	0.6
341.12137	0.6
367.08081	1.5
385.11316	3.9
428.92529	0.5
487.18195	100.0
488.11768	0.6
488.18619	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	487.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44081	0.6
57.03047	1.4
57.03319	22.4
59.01247	51.7
69.03323	1.7
69.36802	3.8
69.37218	1.6
71.01252	9.8
73.02822	8.1
73.89390	0.7
75.86962	0.6
83.01257	4.5
83.04890	1.7
85.02818	3.1
87.00764	0.8
87.04400	1.2
89.02307	2.8
91.01768	1.6
93.03326	1.6
95.01242	2.9
97.02818	1.4
97.06441	1.0
99.00750	1.2
101.02318	8.2
103.00266	4.5
108.02061	0.9
109.06470	1.3
113.02305	9.4
119.03409	1.5
121.02829	2.6
121.06520	0.8
121.39343	0.8
122.39538	0.7
123.08065	5.6
125.02313	2.2
127.00237	1.7
131.03342	1.0
132.86845	0.6
134.07272	0.9
137.02342	3.8
137.09595	7.3
138.06767	1.4
139.00238	1.0
139.11151	3.5
143.03386	2.1
149.04399	1.7
149.09622	10.8
151.03908	27.1
151.07494	0.9
151.11174	1.9
152.04242	1.0
152.08331	2.7
153.09102	9.3
155.03380	0.9
161.04475	4.4
165.12767	3.7
167.14323	0.9
177.09181	0.9
177.12744	5.1
179.10690	4.6
190.02618	1.0
195.13828	50.1
196.14207	2.8
203.05544	1.5
205.05084	0.9
205.12248	5.8
221.06560	1.2
223.13367	4.4
235.05717	0.7
237.12566	0.8
237.14903	1.3
238.06628	0.7
239.12843	100.0
240.13184	5.8
247.04539	2.3
262.33472	0.7
263.08685	0.9
263.12866	22.7
264.13269	1.2
305.14023	1.2
349.12885	1.0
367.17615	3.6
413.10797	1.0
427.19672	2.7
487.18179	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	13.5
58.00465	1.1
59.01249	100.0
69.03336	0.9
69.71507	4.4
71.01250	14.1
72.99145	0.9
73.02814	21.4
77.27207	0.7
83.01251	7.8
83.04891	1.8
85.02808	3.1
85.06509	0.7
89.02307	3.1
95.01225	2.1
97.06445	1.0
98.19769	0.8
101.02319	17.5
101.02934	1.5
103.00249	2.7
112.59588	0.7
113.02329	10.2
119.03379	2.3
121.06470	0.9
121.12415	0.7
123.08041	2.6
125.02287	2.1
127.00217	1.4
131.03383	2.2
134.07202	0.8
137.09671	4.3
139.00287	1.7
139.11179	1.7
143.03358	3.0
149.02368	1.1
149.04417	2.7
149.09627	7.2
151.11197	1.5
161.04463	7.2
165.12766	2.4
166.15266	0.8
175.00294	1.1
177.12706	2.5
179.10612	2.0
195.13828	35.3
196.14186	2.0
201.70567	0.8
203.05525	1.1
205.05074	1.4
221.06665	2.3
223.13362	5.3
235.13214	1.9
237.09093	1.8
237.14859	1.9
239.12846	66.7
240.13193	3.3
247.13560	0.9
263.12869	16.0
264.13080	1.1
265.14441	5.5
281.08887	1.8
285.97900	0.8
305.13898	1.2
324.05206	0.8
487.17859	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	487.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01055	8.7
59.01251	100.0
61.98695	13.2
62.97230	9.3
81.88233	12.7
92.04936	10.1
99.80460	11.1
144.98457	9.8
218.29657	9.7
240.02768	17.4
257.03177	10.8
271.78854	9.8
343.95508	11.3
487.34558	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	5.4
59.00955	5.8
59.01247	100.0
61.28948	2.7
61.98716	3.5
69.46152	12.0
69.46577	10.2
71.01248	40.0
72.99186	2.6
73.02817	26.6
75.00739	7.3
78.95756	3.7
80.96400	5.5
83.01248	11.4
83.04864	3.4
85.02816	10.0
87.00758	6.9
89.02318	16.1
93.03333	5.7
94.97951	3.2
95.01289	3.5
97.02840	5.6
99.00754	7.7
101.02316	25.2
105.24171	2.6
107.01263	7.1
107.04926	4.6
108.02044	7.0
109.02798	6.7
111.00787	5.3
113.02341	14.4
119.03406	4.2
119.04915	2.6
121.02822	12.1
123.04404	10.1
125.02357	4.1
131.03430	2.7
134.03612	7.0
135.04388	5.8
137.02325	8.5
137.05965	3.0
137.09656	4.1
149.02385	6.4
149.05981	3.5
149.09656	3.1
151.00221	19.0
151.03885	5.1
151.07542	9.8
152.00993	6.2
161.04451	4.0
163.03870	3.6
163.07541	9.8
164.04700	4.7
167.03316	2.6
173.31734	2.9
175.03909	4.4
177.01759	2.6
177.05513	3.5
179.10657	7.0
190.02652	6.7
191.03357	7.6
193.04964	9.7
195.13748	5.5
205.04976	3.4
206.09448	5.1
207.06639	3.1
221.11780	48.5
222.12088	2.9
223.06079	6.0
235.05931	5.7
239.12849	10.3
245.04576	2.9
263.12741	4.1
283.11896	6.7
311.09720	4.4
459.11148	8.0
487.13916	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	487.1245
Annotation	Acacetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.23663	0.7
57.03345	0.9
59.01249	81.4
65.00182	0.7
69.47617	2.0
69.48033	3.5
71.01260	3.2
78.29933	0.7
79.01762	0.7
85.02834	2.3
89.02327	2.1
93.03339	1.1
98.20530	1.6
101.02337	1.8
103.03886	1.8
105.03350	1.6
106.04158	0.8
107.01294	1.0
117.03383	2.0
121.02901	1.4
122.03635	1.2
125.40534	0.8
126.37371	0.8
131.15396	0.8
135.00781	1.6
149.02362	5.0
149.05998	0.9
160.85378	0.7
161.02365	3.1
163.03943	1.0
165.01888	0.9
168.29343	0.7
173.06090	0.8
174.02998	0.7
175.11253	0.9
179.03430	1.1
184.51317	0.8
241.14418	1.6
253.05083	2.6
254.05737	1.8
255.05978	0.8
265.09015	3.7
268.03809	2.2
281.04556	12.6
282.05310	75.7
283.05756	6.5
289.14447	4.5
292.03754	1.6
293.04437	3.9
293.21130	0.9
294.05096	1.4
296.06900	1.1
297.07660	19.4
297.11099	1.0
307.06058	2.2
314.04276	1.2
321.07666	1.1
323.05515	1.0
325.07144	100.0
326.07510	6.6
337.07217	4.5
355.08182	3.8
427.10291	11.2
443.19064	1.1
487.12384	53.6
488.12784	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	487.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23663	0.7
57.03345	0.9
59.01249	81.4
65.00182	0.7
69.47617	2.0
69.48033	3.5
71.01260	3.2
78.29933	0.7
79.01762	0.7
85.02834	2.3
89.02327	2.1
93.03339	1.1
98.20530	1.6
101.02337	1.8
103.03886	1.8
105.03350	1.6
106.04158	0.8
107.01294	1.0
117.03383	2.0
121.02901	1.4
122.03635	1.2
125.40534	0.8
126.37371	0.8
131.15396	0.8
135.00781	1.6
149.02362	5.0
149.05998	0.9
160.85378	0.7
161.02365	3.1
163.03943	1.0
165.01888	0.9
168.29343	0.7
173.06090	0.8
174.02998	0.7
175.11253	0.9
179.03430	1.1
184.51317	0.8
241.14418	1.6
253.05083	2.6
254.05737	1.8
255.05978	0.8
265.09015	3.7
268.03809	2.2
281.04556	12.6
282.05310	75.7
283.05756	6.5
289.14447	4.5
292.03754	1.6
293.04437	3.9
293.21130	0.9
294.05096	1.4
296.06900	1.1
297.07660	19.4
297.11099	1.0
307.06058	2.2
314.04276	1.2
321.07666	1.1
323.05515	1.0
325.07144	100.0
326.07510	6.6
337.07217	4.5
355.08182	3.8
427.10291	11.2
443.19064	1.1
487.12384	53.6
488.12784	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	486.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50815	1.0
59.01232	1.6
63.47718	0.9
71.32313	1.8
83.24882	1.0
88.03906	60.7
116.97872	1.0
147.08047	2.3
149.09586	1.2
160.45016	1.1
163.11179	3.1
187.11240	2.9
242.02144	1.3
270.15680	1.1
280.14600	2.1
307.17291	1.3
307.83078	1.2
309.22253	2.0
337.21683	100.0
338.21939	7.9
359.29123	1.2
382.27411	1.4
486.26718	11.6
487.27481	1.4
487.34338	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	485.2182
Annotation	Thailandolide B
Peak:m/z	Relative Intensity
57.03322	2.0
59.01250	100.0
60.01583	0.9
61.98687	2.2
67.01761	73.6
67.82661	0.3
68.02108	1.0
68.99686	17.8
69.03316	1.8
70.81727	0.6
70.82081	0.9
71.01260	1.0
71.04903	0.4
79.05415	0.7
81.03337	0.7
83.01267	1.4
83.04898	1.5
85.02821	9.5
93.03346	0.6
95.01254	0.6
95.04878	0.7
95.08541	0.7
97.02824	0.9
97.06482	0.6
99.00767	0.7
101.02346	0.4
107.04912	1.3
109.02868	0.8
109.06496	0.8
109.54805	0.4
111.00758	7.8
119.04939	1.0
121.02867	0.4
121.06428	0.9
123.04438	0.7
123.08062	0.7
133.06500	0.6
135.04445	1.3
135.08066	0.9
137.05986	3.1
147.04416	0.4
147.08031	0.4
149.06035	0.4
149.09685	0.9
151.11192	4.4
159.08104	0.6
161.05920	0.6
161.09630	0.6
171.08015	0.6
173.09564	0.3
175.11232	0.8
177.09070	0.8
185.09647	0.7
187.11221	0.5
189.09264	0.7
195.10217	1.3
199.11258	1.4
200.33978	0.4
203.10732	1.7
223.11259	0.4
247.09781	0.6
279.13678	0.4
281.19101	1.1
283.20544	0.5
311.20273	0.7
313.18146	0.5
317.21118	0.4
325.21805	0.7
327.19629	0.7
329.17612	0.9
329.21338	0.7
331.19125	11.6
331.23056	0.6
332.19528	0.9
337.21710	0.8
345.20691	0.8
351.19800	0.7
353.21127	1.0
355.19119	21.9
356.19443	2.5
357.17087	0.6
369.20700	2.4
371.22342	3.9
373.20181	8.6
373.24680	0.7
374.20908	0.5
381.20685	11.7
382.21124	0.9
397.20132	3.2
399.21768	24.4
400.22089	2.0
415.21255	7.0
425.19669	0.4
441.22818	34.5
442.23288	3.4
443.20667	6.8
444.21188	0.6
446.91846	0.4
455.31668	6.4
485.21808	71.3
485.32135	7.0
486.22076	7.8
486.32373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2027
Annotation	4-[6-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-3-methyl-2-oxohexyl]dihydro-3-methylene-5-(2-oxopropyl)-2(3H)-furanone
Peak:m/z	Relative Intensity
53.80444	0.7
54.36920	0.7
55.01748	1.3
57.03308	1.2
58.00453	1.3
59.01250	62.1
71.01251	23.1
71.51993	1.1
72.99171	2.5
73.02809	7.2
75.00736	0.8
81.03335	1.0
83.01278	3.3
83.04909	0.7
85.02811	9.7
85.77332	0.6
87.00753	2.5
87.73466	0.6
89.02315	10.8
92.04843	0.7
95.01264	1.7
99.00752	1.3
101.01708	1.0
101.02328	16.2
107.04895	2.6
111.00785	1.1
111.04374	1.0
113.02337	7.5
119.03379	5.3
121.06487	0.7
123.08020	0.8
125.02355	0.9
143.03392	1.1
151.03877	1.3
161.04485	2.3
175.88063	0.8
179.05486	1.6
189.12737	1.2
256.97818	0.7
323.14893	4.3
399.20474	1.3
409.56241	0.9
425.18289	2.6
443.19128	4.9
447.02213	0.7
473.71747	0.7
485.20288	100.0
486.20593	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	485.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.8
57.03316	1.6
59.01249	100.0
61.89951	0.8
61.98690	1.0
71.01252	14.3
71.04870	3.2
71.53020	1.2
71.53707	1.0
72.99162	1.8
73.02806	4.0
85.02801	4.6
87.00748	1.2
89.02307	10.7
93.03309	1.7
99.00772	1.0
99.04378	12.3
101.02320	11.0
103.03901	1.2
107.04839	1.1
108.02031	1.6
111.00813	0.9
113.02339	6.4
117.05455	20.7
119.03431	4.5
119.04859	2.6
121.02851	10.7
125.02357	1.5
131.07010	1.2
134.03537	0.9
135.04364	1.7
137.02325	1.9
145.06477	1.3
147.04413	1.8
149.02336	18.7
149.05891	1.1
150.03171	1.0
151.00198	1.1
152.01022	1.3
152.54941	0.9
156.05684	2.1
157.06454	3.0
157.09258	0.9
160.03952	7.1
161.04341	4.2
163.00172	1.0
163.03905	4.3
164.04695	20.2
165.05437	4.0
172.35052	0.8
175.00262	4.3
175.07556	2.3
176.01035	2.5
176.04642	1.8
177.01831	1.3
177.05426	2.1
179.03441	1.5
179.05565	1.0
179.07043	2.6
188.07065	2.0
190.02635	12.1
191.03430	4.8
193.05014	1.5
203.07042	1.3
205.04993	17.1
206.05756	6.0
207.02881	1.8
208.03636	1.9
209.04536	1.4
219.04521	0.9
219.06519	1.6
219.10172	3.4
221.08110	7.6
221.11725	2.6
222.05333	1.1
223.06067	24.3
237.07573	2.6
237.22047	1.0
245.08075	1.4
250.04782	2.3
262.08441	1.8
263.09232	3.8
265.07108	14.2
269.04523	3.0
279.10837	75.6
280.11182	3.1
295.08170	3.0
325.09262	4.7
367.09973	1.5
485.16541	49.7
486.16833	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11940	1.0
53.25616	1.2
57.03309	2.9
59.00956	1.9
59.01249	38.0
61.98692	1.5
63.56908	1.0
63.70207	0.9
65.03801	0.9
69.16888	6.6
69.17319	4.4
69.91508	1.1
71.01253	20.1
72.99174	1.7
73.02811	3.9
75.00735	1.7
75.42476	1.0
83.01249	2.0
83.02359	1.7
85.02824	9.5
87.00734	2.7
89.02310	8.8
93.03323	2.4
95.01260	1.1
97.47819	0.9
98.34808	0.9
99.00757	1.6
99.04400	15.2
101.02333	9.7
103.03873	5.0
107.04926	2.4
108.02050	6.8
109.02847	5.1
111.00733	1.3
113.02331	8.1
119.01296	1.6
119.03412	4.8
119.04881	1.8
121.02840	7.7
125.02380	1.9
125.09597	2.4
134.03619	2.7
134.04602	2.3
135.04430	5.2
137.02325	2.0
143.03392	1.3
147.04411	2.8
148.01479	1.2
149.02341	37.0
150.03131	1.4
151.00252	1.4
151.03891	1.2
152.01070	13.1
153.01772	3.4
161.04414	2.5
162.03096	1.4
163.03906	12.4
164.04697	36.2
165.05498	6.4
166.02608	1.6
168.00562	1.4
173.02368	2.5
175.00269	8.3
176.01067	4.2
177.01897	4.7
177.05467	5.9
178.06216	2.5
179.03421	2.9
179.05592	1.6
179.06975	7.5
181.05011	1.4
187.09662	2.2
188.04684	3.3
189.01834	1.7
190.02631	32.7
191.03401	18.0
192.04149	2.0
193.01344	2.4
193.04958	2.0
194.02069	1.1
203.07040	3.8
204.04141	2.0
205.05002	52.2
206.05759	27.5
207.02925	9.1
207.06262	2.2
208.03668	8.0
209.04469	2.1
221.06119	2.1
221.08136	28.6
221.11613	1.1
222.05237	3.8
222.08397	1.2
223.06064	57.0
224.06483	2.6
235.02443	3.7
237.05615	1.7
237.07661	22.4
239.12752	1.1
247.06076	1.9
250.04756	11.5
251.05353	1.4
265.07153	100.0
266.07605	4.9
279.10870	14.2
281.06699	1.8
295.08209	26.3
311.07855	2.0
315.07318	1.2
323.14777	2.0
325.09247	29.7
326.09485	1.6
385.11533	5.5
413.14502	1.2
485.15958	30.7
486.17276	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	485.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	6.5
58.00457	1.1
58.74412	0.7
59.01251	21.2
65.88134	0.6
71.01253	12.0
71.39619	1.3
72.99181	1.8
73.02821	1.8
83.01234	1.0
85.02820	31.4
86.03171	0.8
87.00750	1.8
89.02310	1.5
99.04403	1.0
101.02325	1.8
101.05950	0.7
103.03889	53.2
105.06954	1.3
108.02026	0.7
113.02313	1.2
117.05464	0.9
119.04922	1.7
121.02850	0.8
129.06992	0.6
131.04884	1.4
133.06479	2.3
134.03621	1.5
145.04974	1.2
145.06448	1.5
147.04425	1.4
149.02275	0.7
151.00185	0.6
157.05066	1.2
157.06502	1.8
162.58965	0.7
164.04723	1.5
166.02606	0.8
177.05540	0.9
179.07054	12.4
189.05527	0.9
191.03519	0.9
205.05040	2.8
206.02103	2.0
207.25600	0.7
221.04517	4.9
222.05251	2.2
223.06015	1.6
235.09706	6.3
236.06868	16.9
237.07632	63.9
238.08014	2.4
247.08136	2.1
251.09195	14.7
263.09180	1.2
264.06400	1.6
279.05783	0.6
279.08728	14.3
279.11829	0.9
372.37253	0.8
441.20135	0.7
485.16617	100.0
486.16895	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	485.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27497	0.2
57.03337	0.2
59.01247	1.9
69.51688	1.5
71.01258	0.4
72.74847	0.2
73.02821	0.3
80.02575	0.2
85.02810	0.4
93.03338	1.7
101.02344	0.2
102.69945	0.2
103.03888	0.8
108.02039	1.0
113.01463	0.2
113.02306	0.2
121.06479	1.1
131.04991	0.2
134.03622	0.3
137.02296	0.3
141.82083	0.2
147.04463	0.4
147.08029	0.2
149.02283	0.3
149.05989	2.0
151.03923	0.2
152.01050	1.5
159.04451	0.9
161.02362	1.2
162.03149	0.9
167.07027	0.6
173.05989	3.3
174.03145	1.7
175.02502	0.4
175.03923	4.5
175.07481	0.4
176.03081	0.4
176.04695	14.0
177.01892	1.2
177.05478	41.0
178.05838	1.6
179.03413	0.2
190.02646	0.3
191.07098	0.9
203.03421	16.1
204.03818	0.6
219.06477	0.2
220.01472	0.4
220.03716	9.4
221.04497	27.9
222.04837	1.3
237.07616	1.1
251.09219	0.3
261.11194	0.3
279.12265	0.6
323.11331	100.0
324.11655	5.3
383.09839	1.9
441.13803	1.1
466.01706	0.2
485.16586	4.8
486.16580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88882	0.5
59.01247	5.1
66.37861	0.5
69.47297	4.6
71.01254	3.2
72.99172	0.6
73.02818	1.4
73.14458	0.6
83.04912	0.7
85.02837	1.1
101.02341	1.2
107.04952	0.9
108.02034	1.3
109.02827	1.1
113.02334	0.7
115.91866	0.7
116.92741	0.9
121.02784	1.0
122.02347	0.7
133.06494	2.4
134.03629	0.5
135.04419	2.3
148.01546	1.0
148.78123	0.6
149.02339	33.1
149.05978	1.2
150.02734	0.8
152.01041	1.1
161.02333	14.1
162.03017	0.8
169.67860	0.5
175.03860	1.1
176.04688	6.5
177.05484	73.7
178.05804	2.7
188.01138	1.5
191.10626	0.7
201.01807	3.6
203.03421	30.0
204.03816	1.2
204.11441	1.3
219.13818	2.1
220.03755	2.8
221.04491	57.4
222.04851	2.2
237.15042	0.8
263.12845	1.1
279.12415	2.7
291.57236	0.5
299.05872	0.6
305.13995	0.7
323.11334	100.0
324.11755	6.4
383.09842	4.4
425.18158	1.0
435.24243	0.6
485.16559	36.1
486.16861	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	485.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81975	0.1
59.01249	2.5
60.90591	0.1
71.01257	0.8
73.02811	0.3
80.02537	0.5
83.01275	0.3
85.02829	0.7
87.00754	0.2
87.04398	0.2
89.02332	0.3
93.03326	1.9
93.61661	0.1
101.02319	0.4
103.03906	0.8
107.04902	0.2
108.02068	1.4
109.02890	0.1
111.00771	0.4
113.02330	0.3
119.04870	0.2
121.02866	0.2
121.06501	1.0
133.02844	0.3
134.03600	0.2
135.00772	0.2
135.04338	0.2
135.91750	0.1
137.02327	0.5
137.05954	0.2
147.04343	0.4
147.08070	0.4
149.02383	0.4
149.05969	2.6
151.03915	0.3
152.01047	2.6
159.04378	0.9
161.02371	1.4
161.05960	0.2
162.03134	0.8
163.03891	0.2
163.07475	0.2
164.01051	0.2
167.07053	0.7
173.05988	3.1
174.03123	1.7
175.03920	4.7
175.07487	0.7
176.04700	15.5
177.02060	2.3
177.05478	42.2
178.05829	1.3
189.05615	0.2
190.02649	0.3
191.03493	0.2
191.07066	1.1
191.10703	0.2
192.53325	0.1
193.04913	0.2
203.03423	18.4
204.03767	0.6
219.06570	0.3
220.03714	12.7
221.04486	33.9
221.11717	0.4
222.04802	1.3
237.07635	1.5
251.09242	0.3
261.11163	0.3
263.09171	0.3
279.08945	0.2
279.12302	0.5
323.11331	100.0
324.11652	6.0
359.32867	0.2
383.09811	1.7
421.40891	0.2
441.13943	1.8
441.19235	0.3
485.16660	5.3
486.10403	0.3
486.16898	0.5
491.76465	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	484.14
Annotation	beta-hydroxyorcein
Peak:m/z	Relative Intensity
54.20921	0.9
58.67241	0.9
59.01247	16.3
61.98703	2.3
69.35944	2.5
69.36366	5.9
73.02811	1.6
73.19240	0.9
93.10672	0.8
107.87183	0.9
111.65147	1.0
116.24643	0.9
127.96709	0.8
128.50592	0.8
129.03340	2.4
147.04405	4.2
157.02829	4.7
161.02344	20.9
174.03166	1.4
183.04469	2.0
185.02362	93.9
186.02676	3.7
196.03957	1.2
197.04668	1.6
225.04128	46.0
226.04793	3.3
227.03369	4.6
238.05006	2.1
240.06618	83.0
241.07004	4.6
242.14038	0.9
243.06628	1.4
250.05042	3.7
251.26620	0.9
255.23276	1.8
264.06665	5.8
366.07785	1.8
380.05347	1.1
381.06439	1.7
382.07129	1.1
394.07199	2.6
410.06683	20.1
411.07297	6.5
412.06790	1.0
426.09814	100.0
427.10126	11.9
436.08481	2.1
451.10730	1.2
466.12994	25.6
467.13275	3.0
484.13986	98.7
485.14188	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	484.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.7
59.01250	10.8
60.01590	0.6
61.59360	0.3
61.98701	1.7
71.01253	24.1
71.04876	2.8
71.53264	0.6
72.99188	0.4
73.02812	1.6
75.00739	0.4
83.01269	1.2
83.50153	0.4
85.02812	2.7
87.00735	1.3
88.03912	3.7
89.02325	1.1
93.03352	0.6
94.76064	0.4
95.01286	0.5
99.00742	0.5
99.04375	0.9
101.02325	2.5
103.03874	0.6
108.02039	0.6
109.02884	0.7
113.02321	1.9
116.03432	0.7
116.07031	0.7
119.04895	1.1
120.04443	0.6
121.02840	100.0
122.03179	3.6
123.07040	0.4
126.75443	0.4
128.07100	1.9
135.04411	7.8
136.04755	0.5
137.02321	0.5
137.09634	0.4
145.02817	0.4
146.08128	10.9
147.04398	0.5
147.08397	0.4
149.02350	0.9
149.05984	0.5
151.00276	1.2
152.01076	0.4
160.03877	0.7
161.04395	0.6
163.03886	1.5
165.05382	0.6
173.04626	0.5
177.05339	0.4
200.09180	0.9
205.05035	0.5
205.12286	0.4
208.06052	0.5
212.85945	0.4
218.10370	0.4
238.08693	0.8
262.10934	0.4
271.06131	0.9
290.12393	1.6
362.14514	6.5
363.14636	0.5
412.16220	0.8
421.20770	0.5
432.16043	0.5
466.16959	0.8
484.18234	70.8
485.18564	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	484.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	13.9
60.13083	0.7
61.98684	1.0
67.65860	0.7
70.27570	1.8
122.03219	0.7
125.36021	0.7
126.81209	0.7
129.03342	2.3
147.04413	5.9
157.02869	4.5
160.84088	5.8
161.02350	12.8
163.03929	1.1
171.00674	0.8
174.03096	1.3
175.03856	0.8
185.02354	100.0
186.02728	4.2
187.03978	1.0
196.03909	0.9
197.04787	1.1
209.11720	1.6
218.65732	0.7
225.04128	54.0
225.96640	0.7
226.04742	4.7
229.01393	1.1
238.05026	2.3
240.06612	96.2
241.06921	4.6
243.06621	1.7
250.05087	3.0
264.06708	5.2
271.65854	0.7
366.07718	0.8
381.06461	2.0
394.07138	2.1
396.04987	0.9
408.08746	1.2
410.06720	16.8
411.07175	2.1
426.09805	75.2
427.10110	8.0
436.08066	1.8
450.09790	1.1
451.10352	1.1
466.12946	17.8
467.13187	1.9
484.13968	88.9
485.14267	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	483.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74303	0.5
59.01250	100.0
60.01572	0.7
61.24851	0.4
61.98703	0.5
67.01771	1.0
68.38053	0.4
70.85786	1.0
71.01278	1.0
80.75115	0.6
111.00771	1.5
121.02806	0.5
132.12491	0.5
158.84468	0.5
176.92911	0.5
178.68040	0.5
183.80034	0.5
185.02391	1.8
199.13347	1.1
209.11821	1.8
222.40619	0.5
225.04207	0.6
240.06705	0.6
438.25421	0.5
484.14273	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	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49739	0.3
59.44846	0.4
67.53156	0.3
70.09351	1.2
78.95773	6.2
84.85339	0.3
93.07902	0.3
93.71951	0.3
95.72517	0.3
96.96838	0.7
98.20457	0.5
99.04147	0.4
152.99483	14.8
171.00534	1.2
178.48274	0.4
227.03201	3.2
245.04288	1.2
255.23253	100.0
256.23608	5.8
347.14948	0.6
376.11993	0.3
389.99026	0.3
433.41473	0.3
483.27252	26.9
484.27563	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	483.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04272	0.8
59.01220	0.8
69.38699	2.8
69.39133	3.1
73.96147	0.7
74.23386	0.6
78.95324	0.9
78.95766	14.7
81.72318	0.7
85.26936	0.6
86.59185	0.6
96.96828	0.9
98.20525	1.5
100.83122	0.7
129.45010	0.6
143.04869	0.9
147.04398	0.9
152.99478	26.7
157.06494	1.0
159.04388	1.6
163.00262	0.6
168.79031	0.7
171.00491	2.0
173.02327	0.8
175.03958	0.8
184.05164	0.9
185.02255	1.2
187.00255	1.3
187.07523	0.8
188.01003	1.2
189.01822	0.9
199.03874	1.7
200.04605	0.9
202.02652	1.0
211.03951	1.2
212.04619	0.7
213.01825	1.9
214.02539	1.4
214.99808	1.1
215.03448	6.0
216.00610	2.2
216.04036	1.1
219.02925	0.9
227.03288	6.4
227.06949	1.3
228.04193	1.1
229.05006	2.2
241.01378	1.2
245.04469	2.2
247.02454	14.5
248.02805	0.8
255.06577	6.7
255.23244	100.0
256.23660	5.5
265.05060	1.0
273.04102	4.3
273.06757	0.7
274.04813	9.6
282.05301	1.0
289.07108	2.4
295.13458	0.8
297.11285	12.7
298.11633	0.9
313.10895	1.2
317.30499	0.8
323.12817	2.7
324.13602	8.8
325.14063	1.1
332.08948	4.5
335.12979	0.9
339.15997	3.9
347.11362	2.7
382.17819	5.7
383.14893	5.0
397.20166	3.4
398.17117	1.4
410.17322	9.4
411.17563	1.3
425.19553	5.9
451.21042	0.8
468.21481	3.3
483.27405	56.9
484.28064	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	483.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79499	0.8
57.03315	1.3
59.01249	100.0
60.01582	1.0
61.71696	0.9
67.01757	80.2
68.99686	47.1
69.03339	2.2
71.52771	1.4
79.02561	0.8
79.05362	1.1
80.42092	0.8
81.03309	1.2
83.04906	2.5
83.52612	0.8
85.02827	7.2
87.04848	0.8
95.01292	1.1
101.05957	2.1
106.04117	2.1
107.04887	2.6
109.06491	1.3
111.00761	6.6
120.05711	2.9
121.06456	1.8
123.08044	1.9
125.05862	1.0
126.22103	1.0
133.06441	1.3
135.04399	1.0
147.11679	1.3
149.05910	1.0
149.09547	1.3
174.68585	1.0
180.81853	0.9
185.13156	1.1
188.61052	1.1
261.13028	1.3
275.14462	1.2
281.19119	2.5
285.18536	4.6
289.15933	1.6
291.17352	1.6
307.20502	1.7
309.18625	6.8
323.20151	2.7
325.21841	1.3
327.19583	10.7
327.96997	0.8
328.19836	1.0
335.16574	1.6
335.20181	12.4
336.20288	1.0
351.19577	3.5
353.21198	24.2
354.21570	2.2
369.20667	7.5
395.22272	30.8
396.22397	3.0
397.20148	2.3
439.21219	75.7
440.21515	6.9
483.35312	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	483.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.0
56.06858	1.2
57.03320	2.4
59.01246	70.4
66.77158	1.4
67.01757	53.7
68.99682	31.9
69.03334	2.5
69.25580	12.6
71.01251	2.9
73.26115	1.2
82.59570	1.2
83.01247	11.1
83.04898	1.6
85.02823	5.1
93.03328	1.5
95.01266	3.1
97.02800	2.6
97.06487	1.2
107.04916	2.5
109.02850	1.4
111.00758	39.3
111.04412	3.6
123.00736	2.2
123.04411	1.6
135.04395	2.4
137.02364	3.2
138.03105	4.4
139.03897	2.6
143.79182	1.3
149.06052	1.3
151.03905	2.0
164.74646	1.4
165.31853	1.2
183.09813	1.5
193.23402	1.2
198.09160	2.5
199.09430	2.9
201.01952	1.2
201.49385	1.2
279.13794	2.0
285.18497	3.9
285.76941	1.5
291.17551	1.8
293.15253	1.7
295.16852	2.7
309.18582	5.3
310.18509	1.3
311.16586	1.6
312.05292	1.3
319.16949	2.6
323.20154	2.2
327.19617	5.9
335.20090	8.1
337.18188	3.2
339.19629	1.8
351.19623	3.4
353.17355	1.9
353.21213	14.4
369.20697	7.8
379.19131	9.2
395.22260	20.8
397.20218	17.3
411.21771	5.0
439.21225	100.0
440.21326	10.5
483.20209	10.4
484.20218	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2017
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
52.30019	0.4
55.01757	0.4
57.03312	1.0
59.01250	100.0
60.01586	0.9
64.48312	0.3
65.00191	0.7
65.03844	0.5
65.07642	0.4
67.01759	53.3
68.02081	0.6
68.99686	64.1
69.03316	2.2
69.45642	1.0
69.46056	2.4
70.00021	0.6
71.01244	2.4
79.05409	0.5
81.03349	0.7
83.01276	1.1
83.04897	1.3
85.02821	72.5
86.03169	1.0
89.02314	0.4
89.16664	0.3
93.03353	1.7
95.01285	0.6
95.04892	0.5
97.02840	0.7
97.06480	1.3
98.20584	0.7
98.78230	0.4
99.00758	0.8
107.04872	1.9
109.02825	1.5
109.06457	0.6
111.00755	4.1
113.02338	0.6
115.03858	0.4
119.04914	0.5
121.02850	1.0
121.06483	1.3
123.00734	0.6
123.04411	0.5
128.03459	0.7
129.06966	0.5
130.79727	0.4
131.08568	0.6
135.04433	3.8
137.02303	0.5
137.05956	0.7
147.08067	0.6
151.03847	0.7
155.08446	0.4
157.06470	1.2
159.08052	0.7
171.07930	0.7
171.11629	0.5
173.09659	1.0
177.09105	1.0
183.08052	0.7
185.09645	1.1
187.11197	0.5
193.10220	0.5
197.09680	0.8
197.13347	0.4
199.09605	0.4
199.11273	0.9
199.14859	0.4
201.09363	0.4
201.11185	0.9
203.10657	0.9
206.21895	0.4
207.08064	0.8
208.08725	0.4
209.09651	0.9
211.11098	0.7
213.12836	0.7
221.09665	0.8
223.11261	0.8
223.13206	0.6
225.11090	0.6
225.12965	0.5
227.10730	1.2
227.14308	1.0
229.08591	0.6
233.09703	0.9
235.11252	0.9
237.12833	0.6
237.16470	0.6
238.29811	0.4
239.10773	0.6
239.14348	0.6
241.12328	0.8
245.11789	1.2
248.11627	0.4
249.12820	0.7
251.10892	0.5
251.14308	1.4
253.12303	1.1
253.16196	0.4
255.17477	0.4
265.12228	0.6
267.13977	0.6
267.17789	0.8
271.13324	0.9
277.12369	0.9
279.13913	0.8
291.17523	1.2
293.15472	0.8
309.18463	2.2
311.16492	1.4
317.19086	0.9
327.19714	0.5
329.17624	1.5
335.20142	1.4
339.15799	0.5
353.17978	2.2
353.20889	2.2
371.18591	7.1
372.19052	0.6
379.19055	3.6
380.19543	0.4
395.18762	0.7
397.20212	7.1
398.20596	0.6
413.19675	19.8
414.20135	2.3
423.18155	0.8
439.21240	22.5
440.21466	2.7
441.19116	12.4
442.19751	1.1
442.77039	0.5
483.20224	97.4
484.20538	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	483.1873
Annotation	Sachalinoside A
Peak:m/z	Relative Intensity
57.03322	2.4
59.01247	4.5
67.01772	0.5
69.03310	1.2
69.32758	3.2
71.01250	2.2
73.02839	0.3
77.66974	0.4
80.19169	0.3
81.03323	5.6
83.01254	9.0
83.04901	1.3
83.08321	0.3
85.02822	1.4
89.02311	0.5
93.03326	1.2
95.01249	1.1
95.04893	4.6
96.02049	0.3
97.02824	1.6
97.06467	0.5
99.04382	0.5
101.02340	0.6
107.04906	1.6
108.02054	0.5
109.02859	0.7
109.06512	0.6
110.03626	0.5
111.00793	0.5
113.02324	1.6
119.04926	1.0
121.02847	1.0
121.10112	0.4
122.03619	2.4
123.04417	4.9
123.08055	0.5
124.01555	3.3
125.02336	1.7
133.06509	0.4
135.04442	1.6
136.01596	0.6
137.02390	1.9
137.05983	3.7
137.09685	0.5
138.03104	1.5
139.03867	1.2
147.04424	0.4
147.08099	0.5
148.05150	0.7
149.02376	0.5
149.05994	0.4
150.03096	1.3
151.03888	1.2
151.07533	0.4
153.09070	0.8
155.03491	0.3
159.04294	0.6
161.09607	0.3
162.03197	0.3
163.03903	0.8
163.11195	1.7
164.04694	2.3
165.01888	1.6
166.02611	3.3
167.03398	3.5
172.05263	0.3
175.07460	0.5
175.11110	0.5
176.04744	0.5
177.01819	0.5
177.09192	1.0
178.06294	0.8
179.03426	3.6
180.04196	5.2
185.25696	0.3
187.07573	0.4
187.11198	0.5
189.05466	0.6
189.09145	1.0
191.03386	1.4
191.10753	0.4
192.04192	1.8
193.04968	0.9
193.12238	2.4
194.05774	0.5
195.10152	0.6
199.07805	0.4
203.03430	0.6
203.07043	0.4
204.04163	0.4
205.04993	1.9
205.12303	0.5
206.05716	0.9
207.13789	0.7
208.03674	1.6
209.11775	1.5
217.05072	0.5
217.12228	0.9
219.02977	0.5
219.06604	0.7
219.10231	0.4
221.11690	0.4
231.02818	0.9
233.11765	1.2
235.09677	0.6
235.13327	4.1
237.11281	9.4
238.11470	0.5
245.08093	0.8
249.11299	1.5
249.14935	1.2
251.12898	1.3
259.06161	0.4
259.13397	1.0
261.11288	0.8
263.09116	0.6
263.12857	0.8
267.12253	0.7
273.07596	0.9
277.14456	2.0
279.12357	33.3
280.12802	2.2
289.10852	0.4
289.14288	0.6
291.12387	7.7
292.12845	0.5
293.13870	1.4
303.12329	0.8
305.13931	2.2
309.13443	1.4
315.12476	0.4
318.11139	3.0
319.11749	1.4
321.13406	100.0
322.13748	7.9
331.11707	0.6
333.13403	6.9
345.13327	0.5
351.14453	31.9
352.14902	2.0
363.14474	1.3
379.18024	0.5
387.14621	0.8
405.15552	1.6
422.63330	0.4
423.16589	7.2
424.17014	0.7
441.25046	0.5
465.17542	1.2
483.18332	3.2
484.19138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47923	0.6
56.80066	0.5
57.03329	3.6
58.00478	1.0
59.01251	19.6
61.98719	0.7
69.03336	3.7
71.01250	10.3
71.04898	1.3
72.99162	1.2
73.02833	1.4
83.01262	1.5
85.02821	11.3
87.00772	1.7
89.02308	5.8
93.03336	54.1
94.03651	1.3
95.01278	2.7
97.02841	1.5
98.19734	0.9
99.00775	1.0
99.04420	1.3
101.02328	6.0
101.05970	0.7
103.03888	28.4
106.04128	1.0
107.04932	0.6
108.02035	3.2
109.02850	1.2
113.02342	5.4
116.04716	0.6
116.92699	0.6
119.03381	3.2
119.04937	1.1
121.02853	8.2
123.04515	0.6
126.77787	0.6
129.06992	4.1
130.04120	1.2
135.04456	1.3
136.01553	8.5
137.02342	100.0
138.02634	3.2
139.03918	1.6
143.03377	0.8
145.04970	0.6
145.06450	1.5
146.08145	4.0
147.08057	9.7
149.02339	1.6
152.00978	0.6
157.04924	0.6
158.03568	0.8
160.03947	1.0
161.04529	0.7
164.04645	0.9
171.08069	1.0
173.05991	20.8
174.06448	0.7
175.00272	2.4
179.03377	2.5
179.07103	1.1
189.05524	1.3
189.09142	0.9
190.02640	6.0
191.07077	10.9
205.05016	9.5
205.08495	0.7
215.07109	0.7
217.05006	8.6
217.11980	0.8
233.08057	3.1
235.06119	8.1
247.08121	1.7
249.07713	1.4
261.11121	0.7
263.09259	1.3
265.09274	32.2
266.09497	1.1
277.07184	13.3
277.12088	5.5
278.07367	0.7
285.04111	0.6
303.12292	4.4
307.08041	1.7
319.08252	1.1
337.09259	9.0
338.09659	0.7
345.13034	2.0
346.12570	1.4
379.09995	0.7
385.11169	2.8
397.11121	2.0
423.16238	1.2
439.16193	4.9
440.16592	0.9
465.21451	0.9
483.14835	92.8
484.15149	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	483.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83373	0.5
59.01249	100.0
60.01585	1.0
61.98707	0.6
68.83553	0.6
71.01260	2.3
85.02839	1.0
89.02356	1.2
101.02334	0.7
108.79588	0.5
121.84929	0.5
128.03412	2.7
132.08652	0.5
138.94456	0.6
171.07698	0.6
201.11305	0.7
209.11853	0.7
229.65933	0.7
253.62682	0.7
267.17969	1.4
328.61038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47652	1.2
56.09849	1.0
58.74254	1.0
59.01254	9.5
68.24393	1.0
69.66592	3.2
69.66998	4.5
71.01244	8.7
71.04879	2.1
72.46677	1.4
73.02808	2.9
81.21946	1.1
83.01258	1.3
85.02843	5.7
89.02341	1.6
93.03320	1.3
95.01237	1.7
97.02834	2.3
98.20486	1.0
101.02325	6.2
108.02049	2.1
113.02335	2.4
113.09724	1.1
115.03901	10.1
115.60745	1.2
117.03344	1.4
119.01234	4.5
119.04940	2.2
121.02848	12.0
132.02036	2.0
134.03696	1.1
135.04425	2.7
143.15762	1.4
147.00763	2.7
147.04411	5.6
149.02336	83.0
150.02763	2.2
152.01054	2.2
161.04457	2.8
163.03879	3.4
164.04698	56.0
165.01823	2.0
165.05074	1.5
175.00264	21.3
176.00996	5.3
179.07059	5.3
188.04742	1.3
190.02629	56.2
190.04369	2.7
191.03419	7.9
205.04994	75.3
206.05492	4.7
207.02983	2.6
208.03702	2.7
209.04486	2.0
218.20578	1.1
221.08130	2.2
223.06055	100.0
224.06367	3.6
265.07169	8.1
277.09378	5.8
295.08243	1.4
325.09183	1.9
367.10364	11.4
374.52307	1.1
409.11325	1.8
421.61288	1.4
424.13788	2.0
439.15970	25.1
440.16257	2.0
451.12256	1.9
478.14285	1.4
483.14252	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	483.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.5
59.01249	7.7
68.99696	2.4
69.33808	8.9
71.01260	7.3
72.99194	1.1
73.02818	1.4
80.89115	1.0
83.01250	6.0
85.02813	5.4
87.00750	6.3
89.02339	2.2
93.03329	14.0
96.95855	1.5
97.02780	1.0
98.19773	2.5
99.00730	3.1
101.02341	3.5
107.04913	1.2
108.02009	1.5
109.02856	1.4
113.02310	4.6
115.00248	5.9
117.03336	5.3
119.04901	18.9
121.02865	1.5
123.04424	2.6
127.00352	1.0
129.01877	1.3
130.17564	1.0
131.04915	3.2
133.02831	3.7
133.06487	5.1
135.04408	1.6
143.04916	3.4
145.02850	14.0
145.06497	2.8
147.04404	19.9
149.05978	12.6
156.05705	1.1
157.06509	3.0
159.04399	3.2
161.02328	1.2
161.05965	8.2
162.57256	1.2
163.03940	1.7
165.05495	3.5
169.06494	2.4
171.04396	4.9
172.05199	1.6
173.05969	6.3
174.03139	2.4
175.02391	9.8
175.03915	3.0
175.07492	1.3
177.04054	1.9
177.05479	23.7
185.05995	3.4
187.03914	4.1
187.07555	1.9
189.05489	9.6
193.04939	5.5
197.05986	4.2
199.03979	5.6
199.07559	1.7
200.04404	1.1
201.05463	6.4
203.03375	1.8
203.07132	3.0
204.04135	1.6
205.04922	5.3
213.05522	4.2
215.07108	6.1
217.04996	31.2
219.06517	7.5
221.04497	100.0
222.04816	3.6
227.07014	1.5
229.04993	3.6
231.06526	3.2
233.04408	1.7
233.08145	4.1
241.05026	6.2
255.06610	9.2
259.06088	13.9
261.04025	39.7
262.04333	2.8
273.07648	7.3
277.07153	10.0
301.07266	1.5
319.08267	7.6
321.06085	18.3
321.13467	2.0
337.07733	1.8
367.10297	3.0
439.12592	5.7
483.11301	3.6
483.18777	1.8
490.16794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84186	0.7
58.78876	0.7
67.07015	0.7
69.04097	0.7
71.21842	1.2
71.22185	1.1
72.43918	0.7
78.95770	33.3
96.96828	2.9
101.37325	0.8
102.26073	0.7
110.14189	0.7
111.86488	0.6
116.94045	0.7
117.09399	0.7
130.23039	0.7
152.99486	53.1
153.99802	0.8
171.00551	14.9
174.79239	0.7
227.03189	3.0
245.04277	100.0
246.04698	2.1
253.21698	65.1
254.22021	3.9
468.20023	0.8
481.25726	35.1
482.26178	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	481.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13886	0.7
55.84225	0.9
61.44492	1.0
67.03601	0.9
78.95773	44.2
93.66808	0.8
95.27636	0.9
96.96847	4.0
152.99481	56.3
171.00554	19.0
200.70123	0.9
227.03183	2.4
245.04286	100.0
246.04547	2.7
253.21701	60.4
254.22113	5.0
270.68393	0.9
371.51773	0.9
481.25726	35.4
482.25949	3.1
492.24460	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.4
59.74621	0.3
69.03325	2.8
70.74590	0.4
71.01254	0.7
71.52632	0.7
72.47011	0.4
73.02814	7.2
79.05404	5.4
87.04391	0.7
92.04929	1.2
92.08599	0.3
98.20209	0.4
100.58012	0.4
131.03662	11.2
142.06531	0.6
144.04488	1.3
155.07310	8.6
156.07988	0.5
157.05237	1.4
158.06013	0.6
158.37527	0.4
165.01776	0.5
166.06561	0.6
170.09660	3.5
180.08087	10.5
181.08478	0.5
182.09631	4.9
183.06772	1.6
192.08118	3.9
196.07574	0.8
198.09166	100.0
199.09502	4.6
208.11244	31.8
209.11586	1.7
259.08759	1.1
267.09250	1.4
281.10953	0.5
282.14975	79.4
283.15375	6.3
285.10315	5.2
325.13596	1.3
336.19629	0.8
350.21198	1.6
359.13971	15.6
360.14435	0.7
399.17032	3.9
481.24948	42.4
482.25339	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	481.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01221	0.8
66.87730	0.4
69.03319	8.2
69.82882	0.4
71.16216	0.5
71.52798	0.9
73.02796	1.0
74.09629	0.4
79.05398	4.4
87.04391	1.6
92.04926	0.7
107.41592	0.4
116.04893	0.5
131.03662	7.2
144.04456	0.8
155.07307	6.7
157.05222	1.1
161.02417	0.4
166.06534	5.8
170.09650	2.5
179.07298	0.6
180.08112	8.5
182.09663	50.4
183.06757	1.2
183.10030	1.8
197.08322	0.6
198.09163	100.0
199.09500	3.9
207.79977	0.5
208.11240	0.5
241.07611	1.4
250.15784	0.7
252.13898	0.7
253.21866	1.0
259.08731	10.0
260.09341	0.6
260.14240	0.6
271.08847	0.8
282.14987	17.4
283.15390	1.3
285.10416	0.5
299.11880	1.9
304.20068	0.5
359.14001	9.4
360.14417	0.9
381.19669	7.5
382.20093	0.9
399.17068	2.2
481.24957	7.7
482.25305	0.8
493.12045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17608	0.4
57.03309	1.7
59.00997	0.7
59.01253	8.7
61.98702	4.9
65.75895	0.5
67.07845	0.6
69.69096	3.0
71.01260	3.0
71.04868	0.5
73.02818	1.1
81.03312	1.7
83.01263	3.3
85.02811	1.9
87.00725	0.5
93.03323	0.7
95.01276	0.7
96.95870	1.0
97.02823	0.7
99.04346	0.6
101.02299	1.5
102.98447	0.5
105.59720	0.5
109.02831	0.7
111.00752	1.1
112.97707	0.5
113.02315	1.1
119.03451	0.5
119.04931	0.5
121.02787	0.9
122.03610	1.2
123.04417	3.9
124.01524	0.8
125.02360	0.5
128.96573	0.4
133.02863	0.9
134.03633	1.2
135.04402	1.3
137.02332	3.3
138.03111	1.0
143.03409	0.9
149.02376	0.7
149.05975	2.5
150.03072	0.5
151.00275	0.6
151.03889	1.2
162.06938	0.5
163.03896	0.8
164.04688	0.8
165.01886	0.7
166.02631	8.5
167.03369	1.0
169.01274	0.7
175.07597	0.6
177.01820	0.7
177.05461	0.7
178.02606	0.7
179.03407	9.7
180.04202	5.7
189.09135	0.8
191.03423	20.4
192.03989	2.1
193.04996	0.6
205.05008	4.5
208.03719	0.6
217.12331	0.6
219.06546	3.1
220.07364	6.1
233.08167	1.3
235.09734	0.7
244.07399	0.7
252.06375	0.7
257.15527	0.5
273.15161	0.6
275.16422	1.3
277.14392	5.3
301.14392	1.5
319.15475	100.0
320.15805	5.8
343.15445	5.6
344.15921	0.5
361.16507	9.2
373.16519	0.9
389.01581	0.5
391.17593	1.9
403.53244	0.5
421.22421	1.6
437.22806	0.5
439.23303	1.7
481.20789	10.5
481.27496	0.9
482.21027	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96445	0.7
52.10010	0.7
59.01244	5.6
61.62148	0.7
61.98694	2.2
62.29725	0.7
69.55825	4.6
69.84019	0.8
71.01244	3.0
72.99176	62.4
73.02822	1.1
77.48188	0.8
79.05409	0.8
82.05927	0.7
85.02798	1.5
87.16087	0.7
89.02334	1.1
98.19814	1.0
107.04945	1.1
109.02824	1.2
113.02277	1.3
119.04891	1.0
121.02842	4.2
122.03593	2.3
123.04405	2.2
134.03627	5.1
135.04408	17.0
136.05225	3.5
145.06436	0.7
147.04393	3.3
147.84251	0.7
148.05197	3.1
149.02345	4.2
159.08099	0.8
161.02345	2.4
162.03078	4.9
163.03790	0.8
166.02637	3.5
173.05994	6.5
174.06636	0.8
175.07559	1.2
178.02632	3.0
187.07552	6.7
188.08356	4.6
201.09123	2.9
203.07050	0.8
206.02100	8.5
217.04988	2.2
232.07365	2.0
245.15398	8.3
255.13882	2.3
257.15430	90.7
258.15802	5.7
271.16989	2.1
273.14935	22.1
273.17905	1.5
274.15381	1.7
275.16528	3.1
297.14886	2.3
299.12888	2.3
299.16605	2.7
300.13892	1.4
301.14417	73.4
302.14655	4.2
314.15323	1.2
315.15958	3.4
325.14584	1.2
343.15491	15.4
349.16656	1.7
435.19791	3.4
463.19873	2.4
481.20764	100.0
482.21167	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	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96656	0.3
57.03310	0.8
59.01246	5.6
61.98702	2.7
66.07969	0.3
69.03334	1.3
69.18659	3.8
71.01247	6.2
72.99198	0.4
73.02807	1.7
81.03323	1.4
82.82043	0.3
83.01267	1.1
85.02817	5.9
87.00775	0.8
89.02323	1.5
93.03327	1.1
95.01262	3.0
99.00768	0.6
101.02316	3.2
103.03896	0.8
108.02050	59.7
109.02842	38.6
110.03171	0.9
113.02324	2.5
119.03410	0.6
119.04909	0.7
121.02840	1.6
123.00769	2.7
123.04429	0.7
125.02317	0.4
133.02818	0.4
135.00713	0.5
135.04405	0.5
139.11160	1.9
142.56061	0.3
143.03326	0.4
151.03886	0.6
152.01053	63.7
153.01849	16.1
160.03799	0.4
161.04434	1.0
163.03893	1.2
165.01880	0.8
175.07539	0.3
183.08659	0.5
183.10081	2.1
204.60199	0.3
205.12343	0.4
206.12543	0.4
225.03940	0.4
231.10164	0.5
231.15947	0.3
251.67316	0.4
265.09323	1.9
269.04642	0.6
301.14597	0.5
315.07208	2.0
319.15518	1.4
410.12198	0.5
421.17026	0.4
426.26285	0.4
436.16986	0.5
481.17093	100.0
482.17349	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	481.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33588	1.4
55.01765	1.7
56.84963	1.4
57.03323	7.4
58.00470	1.9
59.01248	86.3
61.98707	1.5
64.18748	1.4
70.36562	4.9
71.01248	51.4
72.55671	1.4
72.99178	19.0
73.02815	2.3
83.01260	3.4
83.04877	2.6
85.02824	10.6
86.58189	1.3
87.00743	2.0
89.02315	31.2
90.87878	1.3
93.03330	3.4
95.01258	5.0
97.02873	1.4
101.02317	28.9
107.04902	14.1
108.02056	2.2
109.02828	1.6
113.02342	12.1
119.03378	16.3
119.04887	6.9
119.08498	1.6
121.02847	8.3
121.06493	4.1
123.04432	3.4
123.08035	9.7
131.03398	1.6
133.06471	2.9
135.04384	2.9
136.05220	2.2
137.02299	1.4
137.09633	1.7
143.03427	1.8
143.04961	1.3
146.76579	1.5
147.08118	2.3
157.06479	2.8
161.04449	2.7
168.04146	1.7
169.10112	1.6
171.08070	2.1
173.09610	2.9
183.07932	1.8
187.11188	17.6
197.09605	11.6
199.11209	14.6
205.04977	1.8
217.12297	2.2
239.14398	15.8
255.13908	2.6
257.15433	80.7
258.15912	4.4
274.12204	3.4
275.16519	60.6
276.16895	4.6
277.14511	1.7
301.14429	74.1
302.14783	6.8
319.15460	15.4
320.15808	2.0
481.20856	100.0
482.21021	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	480.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63833	0.8
57.03299	1.2
58.00448	1.0
59.01249	33.2
61.98703	4.2
68.99690	1.3
69.03360	1.4
70.06039	3.3
71.01252	20.5
71.54095	0.8
72.99152	1.3
73.02821	4.9
81.03271	0.8
83.01244	1.2
85.02815	6.5
87.00742	3.4
89.02293	2.8
93.03297	1.0
95.01229	1.8
97.02812	1.6
98.20535	1.0
99.00748	2.0
101.02315	7.0
106.04113	6.8
107.04903	1.1
108.02026	1.4
109.02788	0.9
111.00739	1.4
113.02333	7.0
118.92606	0.8
119.03374	1.6
119.04894	1.3
121.02818	1.3
123.04313	1.0
124.01597	0.9
125.02326	3.1
126.68221	0.7
133.02759	0.8
134.03610	3.9
135.04288	0.7
138.03160	0.9
143.03401	1.3
145.06467	1.0
152.01138	0.8
159.03044	1.0
159.07976	2.1
166.02596	1.6
175.11198	5.7
187.07588	1.5
187.11176	6.9
205.12250	12.3
206.12532	0.8
213.04160	0.9
215.10551	0.8
220.10898	1.5
231.10181	2.2
233.11780	7.0
233.72739	0.8
245.03484	0.8
249.11253	4.1
258.11328	2.3
261.11252	1.5
261.93677	0.8
275.12747	1.4
276.12427	3.4
300.05115	2.1
301.14450	1.0
331.15421	1.3
349.16495	8.8
367.17642	5.6
371.27292	0.9
375.14401	11.9
376.14886	2.1
393.15479	11.5
402.15479	9.8
409.18414	1.9
410.31754	0.8
411.16483	2.9
420.16617	31.0
421.16934	2.4
435.16562	12.0
436.17007	1.2
438.17636	13.3
462.17709	20.2
463.18317	2.5
465.33075	0.8
468.20105	0.8
480.18655	100.0
481.19016	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	480.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30624	1.5
55.34272	1.6
57.03312	3.5
58.00462	2.4
59.01249	77.0
61.98700	100.0
71.01249	24.3
71.52226	2.6
72.99172	8.7
73.02826	5.6
78.92120	1.5
78.92588	1.5
79.07494	1.8
83.01241	3.7
83.04891	33.8
85.02834	8.9
89.02298	12.3
93.03335	3.4
95.01260	2.5
101.02310	13.6
107.04913	5.7
108.02114	2.0
111.00753	2.6
113.02325	8.5
119.03380	4.1
119.08560	2.3
120.05675	3.1
121.02837	6.2
121.06478	17.3
123.08067	2.9
133.06526	3.2
137.09587	2.5
137.87355	1.7
140.06189	1.6
149.02298	2.7
161.09610	11.8
172.08833	2.1
173.09621	13.2
187.11172	1.8
190.02715	1.8
197.09651	4.6
199.11215	3.2
204.07909	1.9
227.14363	3.1
229.16052	2.1
237.12776	1.7
239.14423	11.2
257.15411	27.6
275.16470	29.2
301.14426	28.2
307.93234	1.7
319.15411	3.9
331.17474	3.8
373.18445	2.7
455.40094	2.0
481.20883	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	15.7
61.98697	4.4
71.01255	6.6
73.02802	3.7
85.02824	2.2
89.02311	3.7
101.02316	3.8
106.04120	2.1
107.04927	0.9
108.02048	2.0
110.02216	0.9
119.04889	1.6
121.02833	3.8
123.27369	1.1
134.03531	1.0
137.02357	1.3
152.01018	1.5
152.38342	1.1
156.08090	5.4
175.11089	1.3
185.25452	1.2
187.11176	1.6
205.04973	1.7
205.12276	4.3
216.09933	1.1
220.11015	12.1
229.08331	0.9
230.11693	4.6
237.42294	1.0
258.11310	16.5
276.12393	100.0
277.12869	5.4
283.02463	1.4
285.03986	2.6
291.21448	1.3
300.16083	2.1
380.13434	1.1
382.11597	2.5
399.09958	3.0
480.22409	13.7
481.21906	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	480.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80322	0.3
57.38618	0.2
59.01241	2.4
61.98687	0.6
84.70808	0.3
84.99940	0.3
111.00722	0.3
122.53730	0.3
146.02376	0.3
147.72189	0.3
156.89070	0.2
174.01863	0.5
184.03940	0.4
186.01732	0.3
199.02681	7.8
200.03297	0.6
212.03448	0.5
227.02176	19.0
228.02954	8.1
229.03690	1.2
240.02942	0.9
241.03716	0.4
242.04422	0.7
243.02054	0.3
255.01697	45.2
256.02448	21.4
256.04587	0.2
257.00351	0.4
257.03256	26.2
258.03769	2.1
270.04059	100.0
271.04779	26.8
272.05618	62.9
273.05972	3.6
283.04785	0.6
298.07114	1.0
311.22269	0.5
312.22571	0.3
450.11865	3.0
479.34198	0.4
480.12949	16.3
481.13190	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	479.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42926	0.3
59.01249	100.0
60.01596	0.8
60.25730	0.4
61.98707	5.3
69.39352	1.3
69.39786	1.5
71.01250	1.7
73.02827	1.0
85.02827	0.6
87.04382	3.8
89.02353	0.9
101.02336	1.2
101.51640	0.4
113.02338	0.8
119.03385	0.4
119.86442	0.4
126.56376	0.4
131.00322	0.3
162.83839	0.5
210.96919	0.3
255.55635	0.5
287.34512	0.4
479.30511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.4
57.03330	0.7
58.00457	0.4
59.01249	100.0
60.01594	1.0
61.98700	1.3
69.44439	0.3
69.75674	1.3
69.76079	0.6
71.01251	14.6
72.99191	1.1
73.02814	8.1
73.03197	0.6
75.50559	0.3
81.50543	0.3
83.01254	2.9
85.02815	3.8
87.00761	0.7
89.02315	8.9
89.02837	0.6
95.01273	1.2
97.02872	0.3
99.00769	0.7
101.02322	11.0
113.02334	7.8
113.03079	0.6
119.03369	3.8
125.02402	0.5
127.16766	0.3
131.03418	1.1
143.03427	1.3
149.04465	0.6
161.04454	2.2
179.05565	1.5
241.27870	0.4
255.13742	0.7
273.15121	0.8
275.20462	0.4
299.12842	0.6
317.14053	0.9
419.24414	1.3
437.25192	2.2
479.19363	0.9
479.26334	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.3
57.97431	2.0
59.01248	2.3
60.48465	0.2
61.10832	0.2
61.98697	0.8
65.03828	0.4
67.01761	0.4
71.01259	1.3
71.10520	0.5
71.10838	0.2
73.02832	0.2
79.05405	0.4
83.01247	0.5
83.04867	0.3
85.02812	0.4
93.03335	0.5
95.04861	0.4
98.05989	0.2
99.00751	0.3
101.02328	0.6
108.02043	1.8
109.02831	2.1
109.06468	0.3
113.02319	0.4
121.02840	10.6
122.03629	15.6
123.04438	3.0
133.02853	0.7
134.03606	0.6
135.04440	1.4
136.03964	0.3
142.04912	0.3
147.04420	0.2
149.02339	8.7
150.03105	1.2
152.01167	0.2
161.02338	4.4
161.05995	0.5
162.01891	0.5
163.07532	1.0
170.04477	1.7
175.03883	0.7
175.07562	1.2
177.12749	2.7
178.12958	0.3
187.07384	0.3
189.05490	0.8
194.99966	1.1
196.02411	0.7
201.16389	0.3
203.79720	0.2
204.07832	0.7
214.03488	1.3
229.15904	0.4
245.15434	100.0
246.15785	6.2
264.06964	2.4
267.19653	0.8
271.13461	0.4
273.14944	36.1
274.15295	2.6
289.14148	0.3
293.17676	0.4
311.18781	0.6
315.15933	0.6
435.20007	0.6
479.19250	13.9
480.19519	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	479.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47153	1.0
57.03315	1.9
59.01243	6.4
59.29776	1.1
61.98676	1.8
71.01246	1.7
78.95786	8.4
79.03760	0.9
80.96398	3.4
92.04922	4.9
99.08022	2.7
101.02362	1.1
110.98432	7.9
113.09571	2.7
123.08060	1.4
127.07541	1.8
129.09093	5.9
136.03899	3.0
139.11134	1.8
146.02403	2.4
147.53165	1.2
162.01898	1.0
167.01065	3.2
169.12250	4.0
171.10141	2.7
181.12210	4.3
183.13820	2.6
185.02113	8.3
193.12267	2.2
196.18469	1.1
197.11760	10.5
199.13303	5.7
201.11310	1.8
211.11452	1.9
211.13326	16.4
255.01665	1.9
263.78296	1.1
270.04074	5.4
272.05566	3.3
275.20358	1.3
293.21249	12.5
294.21664	1.4
311.22247	100.0
312.22635	9.1
461.19785	1.2
479.19107	2.9
479.24283	29.8
480.13055	1.6
480.24814	2.4
492.23334	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97434	4.4
59.01251	7.4
61.98694	0.8
65.03838	0.9
69.41293	2.2
71.01253	2.3
73.02804	0.9
78.95779	0.6
83.01271	0.6
83.04887	0.7
85.02820	1.0
87.00745	0.3
89.02316	0.6
92.04917	0.4
93.03373	0.5
95.04878	0.6
96.04421	0.5
96.95851	0.5
97.06435	0.3
97.38689	0.3
98.02354	0.7
101.02342	1.3
108.02053	1.7
109.02850	1.8
110.98428	0.6
113.02335	1.1
115.73470	0.3
119.04921	0.6
121.02840	11.2
122.03635	14.8
123.04450	3.4
124.03931	0.4
125.02339	0.3
126.05490	0.7
133.02859	0.9
134.03572	0.7
135.04416	1.4
136.01530	0.3
136.03928	0.4
142.05049	0.3
145.02831	0.3
149.02348	8.4
150.03088	1.3
151.03957	0.4
152.03473	0.4
152.99413	0.3
161.02357	4.3
161.04486	0.7
161.05983	0.5
162.01843	0.8
163.07542	1.0
170.04503	2.4
175.03949	0.5
175.07491	1.6
177.12732	2.6
182.88678	0.3
185.02081	0.4
189.05457	0.9
190.06236	0.3
194.99916	3.1
196.02322	1.6
201.61243	0.3
204.07884	0.6
214.03485	3.5
227.14397	0.4
235.55283	0.3
245.15421	100.0
246.15767	6.4
264.06979	4.8
267.19620	4.6
268.19781	0.4
273.14944	35.4
274.15286	3.0
275.16306	0.5
288.03439	0.4
293.17624	1.0
311.18604	2.7
315.15906	0.7
317.13779	0.3
358.06848	0.3
435.20178	0.8
451.19031	0.4
479.19370	15.7
480.19403	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	478.2936
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
59.01230	0.4
59.24960	0.3
59.44899	0.3
61.98674	0.4
62.96253	0.3
68.53885	0.3
69.32572	0.6
69.32972	2.0
78.02596	0.3
78.95770	100.0
88.42010	0.3
96.96835	7.8
110.99426	0.3
140.00983	0.4
143.41205	0.3
152.99480	16.7
171.00543	19.4
214.04675	0.3
265.10938	0.3
341.31747	0.3
362.44946	0.3
404.25723	1.8
478.29333	62.6
479.29620	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	479.121
Annotation	Padmatin 3-glucoside
Peak:m/z	Relative Intensity
54.88220	0.4
59.00952	0.7
59.01249	11.7
67.01746	1.3
68.99699	0.4
69.03313	0.7
69.91541	0.8
69.91948	1.2
71.01253	0.6
72.99176	0.7
75.00748	5.0
83.04910	1.1
84.99203	0.4
87.00751	0.5
89.02322	0.7
93.03340	4.7
96.95898	0.5
99.00760	0.9
101.72900	0.4
102.50617	0.3
103.00233	2.7
109.02864	0.4
111.00784	2.7
111.04424	4.5
112.71465	0.4
112.98691	5.1
123.09617	0.4
124.98743	0.4
137.02315	2.5
142.99860	0.5
145.01303	2.3
155.02220	0.5
155.03412	6.0
157.01314	0.6
171.00920	0.7
173.04491	1.0
184.16458	0.4
199.04111	10.5
217.05191	2.0
233.06535	0.4
249.31387	0.4
256.38168	0.4
259.06259	3.6
263.05771	0.9
271.02701	2.3
271.06137	0.8
283.06335	0.6
284.03497	0.6
299.05704	1.3
327.05154	2.1
331.04736	1.7
331.08249	0.7
333.06348	0.8
343.08514	0.5
349.54294	0.4
350.19962	0.4
387.07578	2.3
401.08850	0.6
419.10028	11.7
419.15799	0.6
420.10400	0.9
447.09573	1.5
479.12143	100.0
480.12473	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	478.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.2
57.97424	2.3
58.00469	1.6
59.01249	20.6
60.01583	0.7
61.98696	2.2
69.32892	2.5
69.33318	2.7
71.01251	15.8
72.99171	2.0
73.02806	1.8
80.69453	0.6
83.01244	1.4
83.99006	1.6
85.02825	5.3
85.06455	0.7
87.00759	3.2
89.02316	8.2
93.03314	1.8
95.01276	0.8
99.00745	1.3
101.02311	9.8
106.04124	8.3
107.04909	2.9
108.02041	0.8
109.02895	0.5
111.00761	0.8
113.02319	4.9
119.03385	3.7
119.04887	1.7
121.02808	1.4
123.00743	0.8
125.02309	0.6
126.08401	0.6
129.01839	1.0
134.03654	2.7
137.02324	1.0
138.03102	0.8
147.08064	1.6
159.02977	1.1
159.08026	2.7
161.04480	0.8
163.03926	0.9
166.02640	2.1
173.09593	0.6
175.11171	7.1
187.07608	0.6
188.08377	0.6
188.13521	0.6
195.89037	0.6
203.07034	0.6
215.07094	0.8
225.12770	0.6
227.14384	2.7
229.12495	0.9
229.15927	8.2
230.16292	0.7
245.15416	5.1
255.13846	1.0
271.13284	1.4
272.07529	2.6
273.14935	6.8
282.14996	6.3
289.14386	2.4
298.14441	14.4
299.14862	1.3
300.16064	4.8
316.06348	0.8
316.16061	0.6
317.10229	2.6
317.13705	1.3
319.23608	0.6
393.75766	0.6
407.20743	4.9
433.18619	13.0
434.19058	1.2
451.19693	2.2
460.19745	19.1
461.20050	2.2
478.20798	100.0
479.21072	8.9
479.80652	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67937	2.1
56.20345	1.9
59.01246	4.3
61.98702	100.0
71.52727	2.9
109.57663	2.6
126.95902	2.1
185.99828	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.1
58.00470	1.0
59.01250	39.9
61.73922	0.9
61.98702	2.2
71.01255	17.0
71.01622	1.6
71.53147	0.8
71.53612	1.1
72.99189	4.2
73.02820	3.2
81.03310	1.2
83.01272	1.8
85.02821	5.5
87.00725	4.5
89.02319	7.8
93.03330	1.8
95.01275	2.1
96.00798	0.9
97.02804	0.9
99.00765	2.2
101.02322	6.6
103.03881	1.5
106.04127	4.7
107.04950	1.7
108.02042	1.4
113.02341	4.3
115.97510	1.0
119.03369	1.4
119.04922	2.1
121.02857	3.9
125.02345	1.7
134.03638	4.1
137.02348	1.2
138.03125	1.3
149.02377	1.1
150.03154	1.1
152.01016	1.1
156.20313	1.0
159.03127	1.9
159.04424	1.0
159.08011	1.1
166.02696	2.9
173.06009	1.8
174.06880	1.2
177.01772	1.6
183.08063	1.1
187.07635	2.0
188.08237	1.0
198.05608	1.1
199.06367	3.9
203.06973	0.9
219.06557	1.2
221.11720	1.8
225.12746	2.0
227.14494	3.0
229.15903	6.6
245.11974	1.0
247.09766	3.5
255.13907	3.2
256.02545	1.8
257.03244	13.5
258.03580	13.3
259.03827	14.1
271.04849	2.4
271.13464	3.1
272.05627	23.6
273.05930	21.9
273.10696	0.9
273.15021	3.7
274.06192	27.9
275.06531	1.2
280.13458	9.0
281.13696	1.0
282.14960	22.1
283.15427	2.3
287.12912	1.6
298.14505	12.5
299.12888	2.7
300.16016	17.9
301.10925	1.0
319.11972	1.6
391.13959	5.0
407.21136	2.1
433.18793	9.2
451.16016	41.4
452.16495	3.7
460.19836	15.7
478.20966	100.0
479.21082	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	477.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15630	0.6
57.03315	1.3
59.01249	100.0
71.01244	4.7
71.22024	1.0
71.55966	0.6
78.31436	0.7
84.02340	0.7
85.02837	2.3
87.04388	22.5
87.04900	1.2
89.02321	1.9
101.02351	2.6
113.02321	4.7
119.03326	1.4
161.04454	2.2
255.23262	90.7
256.23648	5.0
267.23190	0.8
269.24869	3.8
297.24353	2.4
313.77902	0.7
340.73215	0.7
346.49518	0.7
445.32901	0.9
477.39648	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	478.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.9
58.00468	1.5
59.01248	100.0
60.01587	1.7
61.98699	30.7
67.01794	1.3
69.03294	1.2
71.01248	45.4
71.52585	1.7
72.99172	2.6
73.02811	40.8
78.95754	0.9
83.01253	14.8
85.02812	9.2
87.00751	3.5
89.02319	8.8
93.03307	3.4
95.01239	1.9
97.02816	2.2
99.00764	2.0
99.04401	1.1
101.02319	36.4
103.03898	2.6
107.04915	1.7
108.02028	4.4
109.02833	2.7
111.00763	5.5
113.02329	10.4
119.03386	3.0
119.04917	2.3
121.02837	3.9
124.01592	1.0
125.02303	3.1
128.94478	0.9
131.03394	3.0
135.04329	1.7
137.02373	1.1
141.46333	1.0
143.03365	1.8
152.01021	2.7
152.04675	1.4
155.03441	1.1
160.03932	1.1
161.04472	4.0
163.03836	2.0
173.00832	1.1
173.09552	1.4
174.28656	1.1
176.03372	1.3
177.01794	1.0
183.08064	8.7
183.09625	1.3
185.05983	1.7
185.09644	7.2
187.07549	3.8
188.08340	4.3
199.07593	2.6
203.10664	1.8
205.70148	1.2
211.05986	1.5
227.07114	1.2
229.08676	10.9
230.14462	1.2
236.07109	1.8
238.08688	58.7
239.09015	4.3
245.15506	1.6
247.13728	1.1
256.09753	38.2
257.10104	2.3
265.09274	2.2
280.25470	1.0
291.08560	2.3
305.16168	1.4
316.15405	1.2
317.14084	1.4
335.14713	1.1
396.37173	1.2
407.17191	1.6
418.14886	3.7
433.15140	6.4
436.15930	2.2
451.16022	25.8
452.16586	3.5
460.16162	28.9
461.16501	1.9
465.07330	1.1
478.10754	2.2
478.17038	15.6
478.23737	3.2
479.19031	4.9
479.26852	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	477.2851
Annotation	2-Dehydro-3-epi-20-hydroxyecdysone
Peak:m/z	Relative Intensity
57.03324	1.6
59.01263	4.0
61.98686	2.4
65.03825	1.4
69.03342	1.5
71.00767	1.6
71.01245	1.4
71.04893	1.2
79.05375	1.0
81.03329	2.1
83.04893	8.6
85.06437	2.0
91.03841	0.8
93.03323	1.5
95.04892	1.9
96.28066	0.8
97.06440	3.4
109.06460	3.5
111.04430	1.3
111.08018	6.8
119.04918	2.3
123.08051	1.5
125.09592	7.0
127.11163	1.5
133.06491	1.0
135.08052	1.7
137.09610	2.8
139.11168	0.8
149.09605	0.8
151.11186	1.1
153.09123	1.0
161.09605	0.8
163.11127	1.0
165.12672	0.8
171.10172	100.0
172.10515	2.9
181.12259	1.0
185.11754	2.0
187.14767	2.3
193.12201	1.0
195.10139	0.9
203.14302	2.2
205.15933	5.3
209.11726	8.2
211.13339	8.8
213.12769	1.6
215.14355	2.8
221.15417	4.7
231.13855	9.7
233.15422	12.0
239.16533	1.3
247.13121	0.8
247.16910	1.5
249.14915	49.0
250.15288	2.3
251.16393	1.2
260.83929	0.8
265.18033	1.1
271.16968	0.8
305.17493	2.3
313.25488	1.0
323.18735	1.3
323.23682	1.2
331.26364	1.5
341.24814	3.0
357.24414	2.1
367.22711	2.9
375.25522	4.2
385.23770	11.7
386.24301	1.3
391.40601	0.9
392.13281	0.8
403.24863	17.2
404.25125	1.9
425.89957	0.8
429.46091	0.8
441.26053	1.8
449.28946	2.2
459.27475	34.0
460.27924	2.4
472.12354	0.9
477.28531	50.0
478.28848	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01582	1.0
61.98705	1.3
69.60323	1.4
69.60735	0.6
71.01257	1.5
73.02804	0.4
83.01314	0.3
85.02826	1.3
89.02333	0.6
92.47054	0.3
101.02341	1.1
103.03909	0.9
109.02876	0.3
113.02334	0.5
119.03410	0.4
119.05000	0.3
125.02342	0.3
135.23860	0.3
140.79210	0.3
157.43304	0.3
229.14388	0.4
253.14392	0.5
271.02719	0.3
375.24191	0.4
417.24930	0.7
477.11011	0.5
477.23499	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	477.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58958	0.4
59.01247	100.0
60.01590	1.0
61.98694	1.3
69.18952	1.9
69.19374	2.9
71.01258	5.0
72.99187	0.8
73.02826	2.0
83.01266	1.3
85.02842	1.9
87.00738	1.2
89.02328	1.8
90.57220	0.4
93.03368	0.9
95.01270	0.5
98.19783	1.1
99.23605	0.5
101.02312	3.6
103.03915	0.6
106.04102	0.5
107.01283	0.6
107.04889	0.8
108.02025	1.2
108.69888	0.5
109.02825	0.6
113.02348	1.7
119.03394	0.8
119.04906	0.7
121.02854	0.9
125.02350	1.6
149.02353	0.7
151.00267	3.1
152.01154	1.0
153.01935	0.6
161.04454	0.7
163.03867	0.5
169.01343	1.2
183.13861	1.3
229.16029	0.7
261.14908	0.5
271.02454	0.8
289.14575	0.7
299.01944	1.2
314.04251	0.7
315.05093	0.7
355.15338	0.5
408.05569	0.5
417.24942	0.7
433.18845	1.0
477.12082	3.0
477.18671	3.0
477.27020	1.4
478.13519	0.9
478.20892	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	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01578	1.1
61.98692	1.3
63.24865	0.3
64.64201	0.3
69.03365	0.4
69.46156	2.8
71.01249	3.8
72.99187	0.8
73.02814	1.3
75.00749	0.5
77.99958	0.4
83.01263	1.0
85.02825	1.7
87.00773	1.0
89.02321	1.4
90.37341	0.4
93.03303	0.6
97.02809	0.5
98.02356	0.8
99.00762	0.5
99.01452	0.3
101.02306	1.9
107.01289	0.4
108.02083	0.8
109.02860	0.4
112.64226	0.3
113.02344	1.4
119.04976	0.4
125.02327	0.8
130.01810	0.4
137.02390	0.4
143.03452	0.3
144.85558	0.4
151.00276	0.9
152.01048	0.8
161.04460	0.7
165.12798	0.5
169.01450	0.5
176.10493	0.4
183.13837	1.1
211.13443	0.4
227.12842	0.5
279.12473	0.4
289.14514	0.5
417.25061	1.0
433.18906	0.5
459.42972	0.4
477.12256	1.2
477.18808	2.2
478.14282	0.6
478.20770	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	477.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18093	0.9
57.03306	3.4
59.00954	1.7
59.01247	28.4
60.01573	1.5
61.01666	1.2
61.98690	1.4
65.00179	0.9
68.38593	1.1
69.03316	0.9
69.27017	3.9
69.27448	4.8
71.01247	10.4
72.99132	1.0
73.02812	3.7
83.01260	1.5
83.04899	0.9
85.02813	15.1
87.00721	1.2
87.69356	0.9
89.02318	3.1
94.26136	0.9
101.02296	3.5
103.01236	0.9
103.03207	1.8
103.03882	28.3
105.79553	0.9
111.00742	0.9
113.02328	3.9
119.04871	2.1
137.09564	1.2
143.04745	1.0
145.02838	1.6
151.00238	4.3
153.09029	1.4
157.08598	4.4
161.04390	1.0
177.12784	1.1
181.12241	4.3
185.06021	2.3
199.13222	2.5
205.12283	5.0
211.13254	6.8
223.13332	2.9
229.05000	21.0
229.14369	18.7
229.16489	1.2
230.05286	1.2
235.13292	2.1
247.08202	1.1
253.05049	4.1
253.14418	11.2
265.09244	4.0
271.02414	1.5
271.06113	1.6
271.15436	1.5
299.01953	1.5
300.02750	4.1
315.05109	4.0
417.24319	1.9
418.69574	0.9
433.11212	1.8
477.11649	2.4
477.23422	100.0
478.23959	9.0
488.23453	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76755	1.3
57.03312	4.4
57.68289	1.3
59.01250	7.6
61.98695	9.0
68.74687	1.3
69.03331	2.4
69.47580	6.3
69.47984	3.5
71.01250	3.0
71.04871	1.8
78.95773	22.2
80.02534	2.3
81.03313	5.1
83.01254	10.2
83.04886	6.5
89.02301	1.2
91.12405	1.5
92.04931	3.6
95.04910	2.6
97.02827	1.7
97.06446	5.2
98.03601	1.9
110.98417	17.3
111.08012	4.2
113.09565	1.5
115.60559	1.4
121.06452	1.6
123.04387	2.5
123.08015	4.3
125.09625	15.4
127.11115	2.1
133.64127	1.4
135.08069	2.9
136.03917	1.9
137.09578	2.1
139.11140	7.0
151.11174	6.1
152.99428	1.8
162.10406	1.8
163.11194	8.8
165.12785	20.4
167.01080	6.7
167.10677	6.4
171.10236	3.6
177.12790	1.7
181.12254	11.2
183.13799	2.0
185.02126	20.1
189.12779	1.5
191.10622	9.2
193.15898	5.4
207.10149	2.2
209.11768	100.0
210.12132	3.5
211.13333	4.3
225.11406	1.5
247.20660	15.2
263.20090	1.8
265.21750	4.4
267.04416	1.5
273.18512	2.3
281.21115	1.5
291.19653	96.1
292.19971	6.4
309.20700	89.5
310.20978	5.8
403.24554	2.0
459.27246	2.6
477.22476	55.5
477.28082	3.3
478.23047	5.9
489.47507	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13627	0.4
58.00464	0.4
59.01248	15.5
61.98672	0.6
62.42809	0.3
63.24855	0.3
71.01250	8.9
72.99133	0.5
73.02816	9.9
75.00764	0.4
83.01257	3.0
83.88071	0.4
84.04166	0.3
85.02827	1.7
87.00735	0.5
89.02312	1.1
95.01283	0.5
97.02871	0.3
101.02315	6.1
101.29948	0.4
106.04118	15.3
107.04919	8.1
108.02039	0.5
113.02322	2.8
119.04913	2.4
121.02806	0.5
125.02305	0.6
131.03392	0.6
134.03656	0.5
135.26624	0.4
136.56885	0.3
138.03108	4.0
143.10423	0.3
145.06383	0.4
146.07233	0.4
147.07953	0.4
150.03087	2.2
150.12421	0.4
159.08057	1.7
161.09599	0.7
166.02615	0.3
177.94368	0.3
182.02145	2.1
198.09175	0.4
203.07025	0.5
229.15923	29.7
230.16270	1.8
257.15543	0.4
271.82883	0.4
273.14941	100.0
274.15244	5.4
285.15012	0.8
287.16409	1.5
315.15948	3.2
316.15753	0.6
327.16104	0.5
345.16968	0.5
357.17120	0.5
417.19214	3.9
477.21286	25.7
478.21631	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2126
Annotation	Bonducellpin A
Peak:m/z	Relative Intensity
50.03296	0.5
55.01754	0.8
57.03332	0.8
58.00460	1.2
59.01248	55.4
61.98713	0.6
68.99687	0.8
69.03326	1.0
70.54778	1.3
71.01251	33.2
71.78922	0.5
72.01556	0.7
72.99176	4.5
73.02814	44.4
75.00697	0.6
82.23251	0.5
83.01252	12.2
84.89281	0.4
85.02814	5.4
87.00734	1.2
89.02309	3.7
95.01260	1.9
96.99182	1.0
97.02826	1.2
97.04632	0.5
99.00743	1.7
101.02316	23.1
103.03907	0.5
106.04124	7.7
107.04903	4.7
113.02323	11.8
118.97977	1.0
119.03386	0.6
119.04897	1.6
121.02836	1.3
125.02326	1.6
131.03369	1.4
138.03090	2.6
140.40590	0.5
142.32903	0.5
143.03369	1.2
145.00311	0.5
147.08049	0.5
149.02309	1.0
149.04457	0.6
150.03123	0.6
155.03362	1.0
159.08020	1.2
161.04434	2.5
161.09692	0.9
163.03969	0.9
171.95798	0.5
182.02061	0.7
186.13336	0.5
203.07117	1.0
229.15936	16.5
230.16280	1.0
243.13803	0.9
257.15408	2.3
271.13168	0.5
271.17029	1.7
272.14114	0.7
273.14932	58.8
274.15323	3.8
283.17068	0.5
285.04208	0.8
285.14853	2.3
287.13599	0.7
287.16425	3.2
313.17969	0.8
315.12430	0.8
315.15970	10.3
316.15646	1.9
320.15448	0.5
327.15982	1.8
357.16971	2.7
417.19110	14.4
418.19516	1.2
477.21188	100.0
478.21640	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	477.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.0
63.12668	0.2
70.16009	0.9
76.51038	0.2
78.95794	0.4
93.03327	0.3
106.04122	15.3
107.04909	9.5
108.02084	0.4
119.04904	2.1
138.03111	3.2
143.04939	0.4
145.06467	0.7
146.07257	0.4
147.08012	0.9
150.03099	1.4
159.08058	1.5
161.09596	0.3
182.02106	2.1
185.02238	0.3
197.11789	1.3
229.15926	29.2
230.16229	2.1
271.13474	0.3
272.13687	0.3
273.14938	100.0
274.15292	6.0
309.20773	1.2
315.15759	0.3
368.26801	0.2
393.19473	0.2
477.22623	0.7
489.98981	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2127
Annotation	Bonducellpin A
Peak:m/z	Relative Intensity
55.01754	1.5
57.03311	1.3
58.00447	1.4
59.01247	50.0
68.99667	0.9
69.03312	1.6
69.19656	0.5
69.96627	0.9
69.97032	2.1
71.01249	35.8
72.99168	1.2
73.02814	53.5
74.03121	0.5
75.00735	0.8
81.03319	0.7
83.01251	10.8
85.02823	5.3
87.00734	0.5
89.02303	2.7
91.64349	0.5
92.91525	0.5
95.01270	1.9
96.99218	0.8
97.02847	1.0
99.00748	1.9
101.02317	22.8
102.02679	0.8
106.03392	0.5
106.04118	10.2
106.04791	1.0
107.04913	6.0
113.02327	13.6
119.03291	0.5
119.04883	1.5
119.26022	0.5
121.02842	1.5
125.02322	2.3
131.03413	0.8
134.03618	0.9
136.46042	0.5
138.03122	2.3
143.03391	1.1
145.06587	0.6
147.07936	0.6
148.50768	0.7
149.04427	0.7
150.03021	0.6
155.03410	0.9
159.08025	1.8
161.04437	1.6
161.09608	2.2
163.03896	0.8
182.02087	0.6
203.07054	0.9
209.11731	0.7
229.15921	17.7
230.16348	0.7
236.96483	0.5
241.15874	1.0
250.74585	0.5
257.15427	1.8
269.15472	0.8
271.17020	2.1
273.14935	55.3
274.15222	3.6
283.17188	0.8
285.14963	2.9
287.16495	7.4
288.16840	0.7
299.16580	1.2
313.18176	0.6
315.15948	17.5
316.16159	1.2
325.62091	0.6
327.16110	2.6
345.16989	2.3
357.17059	3.6
389.10645	0.8
417.19156	20.4
418.19461	2.1
477.21255	100.0
478.21533	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	477.105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.9
59.01247	97.7
60.01595	6.0
61.01672	4.8
61.98696	7.0
64.76973	0.9
65.00185	1.4
69.03310	1.7
69.32532	8.7
69.32906	1.0
71.01249	33.7
72.01567	2.3
72.99187	4.2
73.01656	1.1
73.02814	9.8
74.03181	0.9
75.00758	5.8
81.03332	2.5
83.01255	5.6
83.04896	1.0
85.02824	14.0
86.03155	2.2
87.00748	3.3
87.04375	2.2
88.73241	0.9
88.78465	0.8
89.02311	16.2
90.02629	1.9
93.03341	2.2
95.01258	4.8
96.95890	0.8
97.02821	2.1
99.00739	2.9
99.04356	1.0
101.01707	1.4
101.02319	17.4
102.02654	2.0
103.03876	1.1
107.01263	3.2
107.04920	1.0
108.02046	31.9
109.02178	0.9
109.02846	17.7
111.00761	1.9
113.02321	21.2
114.02644	3.8
115.02744	1.6
117.03342	1.0
119.03356	5.7
119.04897	2.8
120.01125	2.5
120.99581	0.9
121.02832	22.0
122.06006	3.0
123.04407	2.1
125.02319	7.8
132.02060	1.2
133.02856	17.9
135.00819	4.3
135.04405	24.0
136.04799	1.6
137.02432	1.2
137.05916	1.5
143.03383	2.7
145.02780	3.4
147.04312	1.1
149.02298	1.7
149.04369	1.1
149.05893	1.1
151.00285	11.1
151.03825	1.2
152.01048	51.6
152.07076	5.5
153.01845	17.2
153.07404	2.2
158.02307	1.2
159.02776	1.5
159.06192	0.8
161.02342	44.6
161.04366	6.7
162.02673	1.8
162.04765	1.3
163.03886	3.7
167.03419	7.3
167.07011	2.3
169.01297	3.5
175.00273	1.2
179.03409	3.4
179.05460	2.1
183.10103	1.0
187.00325	0.9
190.02501	1.5
190.05017	7.2
190.97162	0.9
191.03828	1.1
191.05363	5.9
191.06841	1.0
193.01398	1.1
193.05069	4.2
201.09160	2.1
211.13431	1.0
217.10693	0.9
243.02861	1.1
245.08080	1.9
247.83890	1.1
271.02414	2.3
297.12036	1.0
299.01910	1.5
300.02710	3.3
315.01303	2.1
315.07275	37.8
316.07669	1.3
341.10693	1.0
355.13104	4.7
356.13293	20.1
367.10355	1.1
416.23862	5.2
417.24597	8.7
433.11475	4.5
434.24591	1.4
435.25372	1.6
477.10303	100.0
477.18936	4.8
477.24524	3.6
478.10730	10.7
478.17850	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	4.9
59.01249	100.0
59.42186	1.2
62.41193	1.4
65.59299	1.3
71.01253	10.1
71.52171	1.6
72.99185	2.6
73.02818	8.1
75.00733	1.5
79.62569	1.2
83.01273	4.1
83.04925	1.3
84.52235	1.4
85.02822	3.3
87.00789	1.5
87.79820	1.3
88.91721	1.1
89.02317	3.8
101.02328	9.5
111.00726	1.7
113.02325	4.8
113.05993	1.4
119.03399	1.7
125.02361	2.5
131.03366	1.9
143.03423	2.3
149.04515	2.0
161.04407	3.4
169.12288	1.8
183.63509	1.2
195.10219	4.9
209.09634	1.9
213.11259	22.6
213.56725	1.3
214.11530	1.2
253.08662	1.7
271.09735	4.7
300.02527	2.2
315.05161	2.5
352.51123	1.3
387.35516	1.7
417.21198	1.5
477.12912	2.7
477.19418	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	477.105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.9
59.01247	97.7
60.01595	6.0
61.01672	4.8
61.98696	7.0
64.76973	0.9
65.00185	1.4
69.03310	1.7
69.32532	8.7
69.32906	1.0
71.01249	33.7
72.01567	2.3
72.99187	4.2
73.01656	1.1
73.02814	9.8
74.03181	0.9
75.00758	5.8
81.03332	2.5
83.01255	5.6
83.04896	1.0
85.02824	14.0
86.03155	2.2
87.00748	3.3
87.04375	2.2
88.73241	0.9
88.78465	0.8
89.02311	16.2
90.02629	1.9
93.03341	2.2
95.01258	4.8
96.95890	0.8
97.02821	2.1
99.00739	2.9
99.04356	1.0
101.01707	1.4
101.02319	17.4
102.02654	2.0
103.03876	1.1
107.01263	3.2
107.04920	1.0
108.02046	31.9
109.02178	0.9
109.02846	17.7
111.00761	1.9
113.02321	21.2
114.02644	3.8
115.02744	1.6
117.03342	1.0
119.03356	5.7
119.04897	2.8
120.01125	2.5
120.99581	0.9
121.02832	22.0
122.06006	3.0
123.04407	2.1
125.02319	7.8
132.02060	1.2
133.02856	17.9
135.00819	4.3
135.04405	24.0
136.04799	1.6
137.02432	1.2
137.05916	1.5
143.03383	2.7
145.02780	3.4
147.04312	1.1
149.02298	1.7
149.04369	1.1
149.05893	1.1
151.00285	11.1
151.03825	1.2
152.01048	51.6
152.07076	5.5
153.01845	17.2
153.07404	2.2
158.02307	1.2
159.02776	1.5
159.06192	0.8
161.02342	44.6
161.04366	6.7
162.02673	1.8
162.04765	1.3
163.03886	3.7
167.03419	7.3
167.07011	2.3
169.01297	3.5
175.00273	1.2
179.03409	3.4
179.05460	2.1
183.10103	1.0
187.00325	0.9
190.02501	1.5
190.05017	7.2
190.97162	0.9
191.03828	1.1
191.05363	5.9
191.06841	1.0
193.01398	1.1
193.05069	4.2
201.09160	2.1
211.13431	1.0
217.10693	0.9
243.02861	1.1
245.08080	1.9
247.83890	1.1
271.02414	2.3
297.12036	1.0
299.01910	1.5
300.02710	3.3
315.01303	2.1
315.07275	37.8
316.07669	1.3
341.10693	1.0
355.13104	4.7
356.13293	20.1
367.10355	1.1
416.23862	5.2
417.24597	8.7
433.11475	4.5
434.24591	1.4
435.25372	1.6
477.10303	100.0
477.18936	4.8
477.24524	3.6
478.10730	10.7
478.17850	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02148	0.6
57.03321	1.0
59.01249	73.4
60.01574	1.9
61.01669	1.7
61.98696	1.7
63.02246	1.0
65.00201	5.3
69.03352	0.9
71.01242	9.5
71.53294	0.9
72.99190	0.9
73.02824	4.0
83.01252	5.7
85.02372	0.7
85.02803	4.6
87.00742	1.1
89.02322	4.3
96.95877	1.8
99.00754	0.8
101.02331	6.2
103.03885	1.6
107.01253	7.9
108.02058	0.9
113.02313	4.1
118.96379	0.7
119.03405	2.2
119.04908	6.4
121.02803	1.8
124.67814	0.7
125.02293	1.3
131.01253	1.0
137.02403	0.7
143.03326	0.7
143.04926	4.9
145.02856	12.7
151.00267	17.0
161.04477	1.9
161.05981	5.2
166.91843	0.7
175.00214	1.8
185.05995	10.3
193.01297	0.8
213.05524	1.1
225.05432	1.0
227.03458	0.9
229.05009	100.0
229.14363	1.4
230.05338	5.5
243.06552	2.0
243.13902	0.9
253.05016	17.2
254.05356	1.2
265.09277	1.1
271.06100	10.9
272.06339	0.7
283.06116	2.4
295.06189	0.9
299.02197	1.0
300.02792	1.9
314.04172	1.0
315.04993	2.4
315.18021	0.8
339.51190	0.7
416.23718	1.1
417.24591	3.0
433.11423	8.8
434.11642	1.6
435.25876	1.5
460.19556	0.9
474.57758	0.9
477.10880	2.9
477.23834	7.0
477.30508	1.3
478.20782	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	476.278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35609	0.3
71.01721	0.8
78.95771	100.0
89.65894	0.3
96.96834	9.0
149.41013	0.3
152.99483	18.8
171.00548	20.6
198.50482	0.3
205.66441	0.3
214.04852	0.4
279.23285	0.9
402.24045	1.7
476.27780	62.4
477.28067	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	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78185	0.3
58.30023	0.3
59.01235	0.6
60.84148	0.3
65.06351	0.2
69.84541	0.5
69.84950	1.4
78.95772	40.4
96.96846	2.8
98.19897	0.5
104.64522	0.3
122.00038	0.4
140.01079	2.9
152.99492	7.0
171.00539	6.5
196.03723	1.5
214.04816	2.9
230.59079	0.3
261.21899	0.5
279.23267	100.0
280.23611	8.6
325.78320	0.3
402.23987	0.6
460.38235	0.3
476.27777	27.4
477.28055	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	477.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.0
59.01249	25.9
60.01585	1.4
61.01659	0.9
65.00191	2.2
67.12431	0.8
69.03320	1.4
71.01247	5.4
71.01601	1.0
73.02802	2.7
80.74752	0.9
81.03325	2.4
82.51678	0.9
83.01256	4.6
85.02802	3.3
89.02295	2.3
93.03365	1.3
93.45392	1.0
95.01245	1.8
97.02828	4.4
99.00756	1.0
101.02321	4.6
103.03876	1.6
107.01238	3.9
109.02811	3.7
111.00758	1.3
113.02312	3.1
119.04909	8.6
121.02846	5.8
123.04417	1.3
124.01571	1.4
125.02336	23.1
127.03888	1.6
137.02339	2.0
137.17821	0.8
143.03293	0.9
143.04924	5.3
145.02843	10.1
149.02333	2.4
149.56912	0.8
151.00281	8.6
151.03871	1.4
153.01776	1.5
155.03407	1.2
155.08533	3.5
157.06459	2.2
159.94057	0.8
161.05945	2.3
163.00287	1.8
164.00974	0.9
165.01834	1.4
168.00502	1.4
169.12225	1.4
171.04550	1.1
177.01797	1.2
183.08104	1.7
184.05219	1.8
185.05965	6.2
187.03862	1.6
193.01295	2.5
195.02878	2.9
197.05936	1.0
199.03963	4.2
199.07579	5.8
201.01892	1.1
201.05428	1.1
203.07101	2.1
204.04025	1.0
215.03406	3.9
224.96283	1.1
227.03401	5.0
227.07085	3.9
229.05013	10.1
229.20621	1.2
241.04941	4.4
242.02150	8.6
243.02939	40.9
243.06589	1.6
244.03195	1.7
252.18283	1.0
255.02818	1.4
255.06627	1.2
257.04501	13.7
265.09155	1.1
270.01663	10.8
271.02451	41.7
271.06058	78.3
272.03107	1.7
272.06326	3.8
283.06085	1.6
285.04041	24.8
286.04666	7.3
297.07590	1.4
299.01947	9.4
300.02679	5.2
301.07147	15.8
302.07495	1.5
313.06934	0.9
314.04303	53.2
315.04922	11.3
315.08704	11.4
357.06036	1.2
391.10428	2.0
417.24823	1.3
477.10324	100.0
478.10452	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	476.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88990	0.4
57.03323	0.4
59.01241	1.1
59.35699	0.3
61.98701	100.0
69.03334	0.3
71.51580	0.4
71.51944	0.4
78.95803	0.5
83.04912	0.8
87.39371	0.3
97.06493	0.5
106.33544	0.3
111.86869	0.4
125.09595	0.4
138.19067	0.3
149.90596	0.3
151.11218	0.4
151.26862	0.4
171.10196	3.9
181.12296	0.6
197.39986	0.4
209.11836	2.2
211.03954	0.5
211.13319	1.0
227.07150	0.7
233.15396	0.5
249.14987	3.3
296.14297	0.4
385.24014	0.9
402.24023	0.6
403.25204	0.7
459.27704	1.4
475.36520	0.4
476.27612	1.2
476.37073	0.6
477.28748	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	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
78.11644	0.2
78.95769	100.0
89.53192	0.2
96.96832	8.5
98.20201	1.5
122.15463	0.2
148.93758	0.3
152.99474	15.5
171.00542	17.7
210.27943	0.3
234.25645	0.3
402.24030	1.7
476.27771	54.1
477.28076	5.2
477.34772	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89063	0.2
57.03312	0.4
59.01253	1.6
69.57150	0.7
69.57577	0.8
71.04890	0.5
73.90760	0.2
76.33429	0.2
77.19052	0.2
98.20534	0.4
101.71449	0.2
104.68074	0.2
120.27997	0.2
161.99583	0.2
181.51001	0.2
193.05753	0.2
236.55804	0.2
311.76547	0.2
315.26959	0.5
375.28876	0.9
417.26382	0.3
475.37894	100.0
476.38220	12.8
476.45102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3789
Annotation	Sipholenol F
Peak:m/z	Relative Intensity
57.03328	0.3
59.01251	1.7
69.22202	2.4
71.04888	0.4
77.00546	0.5
91.76510	0.2
97.06446	0.5
98.20536	0.4
98.52444	0.3
100.20087	0.3
110.52402	0.2
276.04306	0.3
290.82745	0.3
303.43765	0.3
315.26859	0.4
337.21606	0.8
375.28882	0.8
475.37885	100.0
476.38202	13.1
493.38821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21330	0.2
57.86248	0.2
59.01246	3.1
69.19328	2.7
75.59582	0.2
98.19807	0.4
101.02346	0.2
184.03998	0.3
213.04280	0.5
228.02942	3.7
229.03748	3.3
244.58594	0.2
253.67319	0.3
255.01712	0.4
256.00269	0.2
256.02478	11.3
257.03253	54.2
258.03619	3.2
270.04001	0.8
271.04843	10.2
272.05615	100.0
273.05942	5.9
419.17795	0.2
434.10577	0.4
476.11929	14.3
477.12354	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2698
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
52.80914	3.1
54.87336	3.1
55.89344	3.2
59.01250	100.0
71.01237	8.0
71.52680	5.6
78.95755	8.7
83.80920	3.6
98.84593	3.0
99.04403	4.1
142.74203	3.8
277.21738	25.0
279.23221	6.3
349.23947	3.8
383.22275	3.8
475.26666	11.3
476.27451	4.7
504.93024	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	475.3791
Annotation	Siphonellinol D
Peak:m/z	Relative Intensity
51.05233	0.2
59.01254	1.2
69.72033	1.3
81.06957	0.9
86.10844	0.2
86.31660	0.2
107.20268	0.2
123.83712	0.3
233.29329	0.2
272.04071	0.2
315.26703	0.3
331.30011	0.2
357.27853	0.2
368.52695	0.2
375.29010	15.2
376.29285	1.8
445.35812	0.6
475.37878	100.0
476.38223	13.2
476.45227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53281	0.4
55.01761	1.4
57.03323	1.5
57.78985	0.4
58.00473	1.2
59.01247	100.0
60.01576	0.8
60.77079	0.4
68.67733	0.4
69.03325	1.2
71.01250	46.4
71.52384	0.6
71.52749	0.5
72.01582	0.9
72.99188	1.5
73.02815	29.3
75.00748	0.7
81.03333	1.0
83.01257	8.6
83.04902	0.5
85.02821	11.7
87.00764	2.4
87.04391	0.8
89.02318	16.0
95.01256	3.7
97.02831	1.2
99.00767	2.3
99.04391	3.2
101.02319	29.3
109.06454	0.8
111.19691	0.6
113.02326	31.6
114.02676	0.4
119.03386	7.0
121.02851	0.8
123.04353	0.8
125.02369	1.9
131.03401	2.1
135.04417	0.6
135.98248	0.8
143.03415	3.0
149.04475	1.1
153.09123	1.9
160.78412	0.5
161.04475	9.4
165.04018	0.5
167.10762	0.5
171.10220	0.5
173.48511	0.5
179.05487	2.2
195.70047	0.5
203.05528	0.6
253.18193	0.7
271.19016	2.3
313.06668	1.1
355.08545	0.5
381.56943	0.5
389.21771	1.0
415.23346	17.6
416.23752	1.4
433.24417	6.7
475.12347	1.0
475.25894	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2695
Annotation	Lucidenic acid C
Peak:m/z	Relative Intensity
57.03313	1.5
59.01246	7.2
61.98715	7.3
63.29480	1.1
65.03836	2.6
69.03336	2.4
70.82198	2.5
70.82565	2.2
78.95778	81.4
83.04868	1.4
93.03339	1.9
95.04882	1.5
96.96848	6.5
97.06457	3.4
109.06490	1.3
123.08057	2.7
124.49453	1.1
125.09603	13.9
135.08061	2.7
152.99483	9.9
153.99860	2.0
161.53276	1.2
166.88766	1.1
171.00575	10.2
172.00928	2.3
185.10306	1.2
185.11758	8.7
185.13293	1.6
187.14859	3.4
203.14261	1.9
205.12230	2.9
209.11781	6.8
213.12772	3.3
213.16589	1.1
215.10686	1.3
221.15463	3.0
225.16513	1.3
227.14368	1.1
231.13954	9.1
233.11858	5.1
249.15088	5.6
277.21799	4.0
278.22076	9.9
285.06400	1.4
287.16635	1.2
289.14420	1.7
321.22272	1.6
329.24811	2.3
339.23349	4.0
355.22635	1.5
365.21146	2.6
373.23901	3.3
374.24121	1.0
383.22256	9.4
384.22855	1.7
401.23193	6.7
431.24365	5.1
457.25946	100.0
458.26294	13.2
475.26788	86.3
476.27280	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01586	0.9
60.63094	0.3
64.51168	0.2
69.65988	0.6
69.66398	0.9
71.01263	2.1
73.02818	1.1
83.01261	0.5
84.38551	0.3
85.02838	0.6
89.02330	0.8
95.01324	0.3
101.02310	1.9
108.23930	0.3
109.08199	0.3
111.00791	0.3
113.02328	1.4
119.03461	0.4
130.05014	0.3
161.04369	0.4
229.27710	0.3
271.19247	0.4
321.33563	0.3
415.23453	0.8
433.24677	0.5
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
50.10727	0.3
59.01248	100.0
60.01588	1.1
61.01651	0.3
69.34562	1.2
69.34982	2.0
71.01250	5.1
72.08089	0.3
73.02812	2.9
83.01244	1.2
85.02823	2.4
89.02326	2.2
95.01252	0.5
98.20535	0.5
99.00768	0.4
101.02317	3.4
111.00775	0.9
113.02327	2.9
119.03409	1.2
127.03963	0.5
143.03383	0.5
147.65392	0.4
155.94342	0.4
161.04497	1.2
173.00836	0.4
191.05518	5.4
249.50896	0.4
258.59552	0.4
271.19290	0.9
285.04007	0.4
301.10989	0.6
373.22150	0.6
392.55029	0.4
415.23300	3.4
416.23596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00800	0.2
52.09204	0.2
55.01760	0.3
57.03334	0.4
59.01249	100.0
59.74706	0.3
60.01581	1.4
61.01682	0.5
71.01246	4.1
72.01598	0.2
73.02808	1.8
83.01270	0.4
85.02809	2.6
85.03211	0.3
87.00730	0.3
89.02322	1.6
93.03376	0.3
95.01262	0.5
98.20665	0.5
99.00747	0.4
101.02320	2.3
108.87427	0.3
111.00746	0.7
113.02329	3.1
119.03413	0.6
142.46622	0.3
143.03416	0.3
154.91571	0.2
161.04488	0.8
173.00937	0.3
173.04410	0.3
191.05522	4.3
197.09715	0.4
271.19144	0.6
285.03934	0.5
301.10999	0.6
373.22403	0.7
415.23212	2.5
433.24472	1.1
475.29880	0.4
489.10318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45470	0.7
57.03312	1.9
58.00459	0.9
59.01248	100.0
69.43980	5.8
71.01252	26.3
72.99173	0.7
73.02811	9.9
75.00758	1.6
83.01275	2.6
85.02823	8.8
87.00748	1.9
87.04392	3.4
89.02309	12.6
95.01274	4.4
99.00764	1.9
101.02324	12.9
103.03849	0.9
113.02327	24.8
119.03394	4.6
131.03415	0.8
143.03429	2.4
149.04497	1.1
161.04445	7.2
161.05525	0.8
170.03540	0.7
179.05574	2.6
179.20915	0.8
190.04958	0.9
199.07655	0.9
240.40704	0.9
271.19373	1.4
339.18097	0.9
355.12949	1.4
389.00534	0.9
415.23441	17.6
416.23807	1.0
433.24503	5.7
436.10114	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00609	0.7
57.03317	3.4
58.00458	2.1
59.01248	49.8
60.01583	1.1
69.28055	5.1
69.28466	1.4
71.01250	14.1
72.99165	1.9
73.02819	4.2
75.00749	1.1
75.31503	0.8
80.31275	0.7
83.01247	1.5
83.04885	1.3
85.02818	16.1
87.00735	1.0
89.02316	4.1
93.03345	1.2
99.00738	1.2
101.02325	5.3
103.03886	24.3
108.02073	0.9
111.08031	1.1
113.02319	3.0
114.81377	0.7
118.97954	0.8
119.03399	1.9
121.02837	1.5
135.04401	1.1
145.02875	2.5
161.04419	1.5
163.03815	0.7
165.12798	4.4
167.14323	2.7
173.04471	1.8
174.03148	8.9
183.13773	5.6
197.15331	4.2
206.02155	6.5
207.13745	0.8
209.11787	3.9
213.05492	1.2
227.07069	1.3
227.12813	21.2
239.12785	1.0
241.14415	32.0
242.14650	1.5
247.08183	1.0
251.12796	2.1
256.02628	1.1
265.09207	7.8
269.13898	4.1
295.13379	3.5
297.14978	17.2
297.18317	1.0
298.15189	0.9
313.14459	4.6
314.13998	1.7
315.08249	0.8
329.16013	0.8
474.15402	0.8
475.20908	100.0
476.20538	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	475.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05293	10.0
59.01241	41.6
61.98687	17.3
69.94928	64.6
75.54887	12.8
75.73094	13.3
78.95763	38.7
95.41605	11.0
98.19873	13.5
114.77489	11.3
118.43407	10.9
161.86607	11.7
190.95955	13.5
210.03331	10.9
277.21744	100.0
278.21890	14.0
295.69345	12.8
383.22516	15.7
401.22983	23.0
404.70291	14.2
475.26971	46.2
475.34583	17.5
476.27579	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24211	0.6
57.03310	5.0
58.00469	1.6
59.00959	1.0
59.01252	19.9
70.03076	0.7
71.01251	9.5
73.02805	2.4
83.01270	1.4
85.02821	17.0
87.00755	1.0
89.02319	5.6
91.40355	0.6
97.06468	1.0
101.02309	5.5
103.03886	39.7
111.08031	2.1
113.02328	2.4
119.03374	1.7
125.02452	1.0
133.14087	0.7
137.56940	0.8
143.04916	0.7
145.04910	1.3
165.12769	21.8
166.13060	1.1
167.14293	0.9
177.09030	0.9
179.14343	0.9
183.13821	59.0
184.14151	2.1
195.13731	1.7
197.15402	11.5
207.13828	5.3
209.11757	4.8
215.06616	0.8
225.14920	5.3
227.12840	44.2
228.13127	1.8
231.10132	1.2
241.14455	1.1
247.08194	2.1
251.12982	3.8
265.09274	26.3
266.09698	1.2
269.13977	4.5
293.13898	1.5
299.14886	0.8
329.16046	5.4
371.17249	0.8
389.18130	4.8
431.22842	3.9
457.20740	9.6
458.21167	0.9
475.21823	100.0
476.22269	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	475.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94224	0.5
57.03313	0.9
59.01249	53.3
60.01586	1.4
61.01666	0.8
67.01765	2.7
71.01251	5.0
72.99180	3.6
73.02808	3.9
78.80232	0.5
80.94644	0.6
80.95162	0.5
83.01250	4.1
85.02819	25.9
89.02314	2.3
91.58884	0.6
93.03318	0.7
95.01252	0.6
99.00739	0.7
101.02335	4.0
111.00760	100.0
112.01105	2.5
113.02306	2.1
117.01791	0.9
119.03361	0.7
129.01826	9.1
136.07579	0.6
154.99744	13.1
161.04440	0.7
168.62675	0.5
173.00827	41.5
173.04446	1.2
174.01146	0.9
179.05496	0.7
182.07274	0.7
187.89722	0.6
191.01935	6.1
191.05490	3.2
192.06560	0.6
197.09692	2.8
210.16069	0.5
258.64496	0.7
301.10831	1.5
307.78564	0.6
341.15109	0.8
404.16809	0.6
415.23468	2.1
438.96640	0.6
475.20389	1.8
476.12589	0.6
480.58221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1972
Annotation	Kadsuphilol I
Peak:m/z	Relative Intensity
51.97677	1.6
55.01755	2.2
57.03321	2.1
57.43735	1.9
59.01252	59.3
61.98701	2.1
71.01252	36.5
71.52847	2.2
72.99148	1.7
73.02818	39.4
75.00716	2.1
75.21161	1.7
83.01260	11.7
83.04877	3.0
85.02804	6.7
87.00735	1.8
89.02294	3.1
93.03325	5.5
95.04861	1.7
97.06491	1.6
101.02307	17.9
106.04103	6.2
110.08933	1.5
113.02328	12.7
121.02807	2.9
123.08031	2.7
125.09595	2.5
131.03401	1.9
136.03970	2.2
138.03117	3.4
146.50179	1.4
150.03183	1.7
151.39999	1.5
161.04416	2.1
163.03931	2.9
163.11140	3.2
171.10236	4.3
182.02129	4.8
185.02077	1.8
189.05420	3.8
196.06706	1.6
208.17262	1.5
209.11751	37.5
221.15433	4.0
225.12816	2.5
227.14273	5.7
231.13857	2.3
247.13249	3.6
249.14752	1.8
255.13850	2.2
271.13376	52.0
272.13754	4.8
283.13312	3.3
285.14899	3.9
302.08337	1.8
313.14508	14.8
325.14380	2.4
339.23383	1.7
343.15497	2.8
355.15567	4.0
357.24420	2.2
383.22162	5.3
401.23218	9.0
415.17532	20.2
444.24036	1.9
457.25763	4.1
475.19632	100.0
475.26947	37.5
476.19849	10.6
476.26785	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	475.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.6
59.01247	29.2
60.01587	0.9
61.01668	0.5
62.87157	0.3
67.01764	3.0
67.20528	0.3
69.24416	1.6
69.24842	1.2
71.01258	3.0
72.99180	3.7
73.02819	2.3
83.01257	4.2
85.02820	25.8
86.03175	0.4
87.00723	0.3
89.02319	0.9
93.03344	0.9
95.01254	0.4
99.00751	1.6
101.02326	2.9
103.03902	0.3
111.00761	100.0
112.01090	2.0
113.02304	0.8
117.01830	1.2
119.03427	0.6
119.04929	0.4
119.77048	0.3
121.02862	0.3
129.01820	8.5
136.07582	0.7
137.02390	0.4
154.99762	13.9
156.00124	0.4
161.04449	0.6
173.00824	44.0
173.04434	1.1
174.01100	1.5
182.07317	0.6
191.01888	7.9
191.05536	2.1
192.02245	0.3
192.06621	0.5
193.04887	0.3
197.09639	3.4
211.11205	0.6
256.02441	0.3
257.03259	0.6
271.19272	0.3
285.04065	0.3
301.10806	3.2
328.12274	0.3
341.14908	0.4
359.25372	0.3
373.13831	0.5
385.66577	0.3
415.23346	1.4
433.24402	0.4
475.20593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52799	0.3
57.01128	0.3
58.59432	0.3
59.01244	1.0
59.72165	0.3
61.98703	0.3
64.22510	0.3
71.20152	0.3
71.21456	0.6
72.39021	0.3
78.95773	100.0
96.96835	8.1
96.97427	0.6
108.11712	0.3
122.18153	0.3
125.09638	0.6
135.63861	0.3
140.01070	1.3
152.25320	0.4
152.99489	15.6
171.00545	17.3
183.07640	0.3
195.55962	0.3
214.04790	1.5
255.20137	0.3
273.30417	0.4
277.21710	39.4
278.22092	3.0
400.22565	1.5
401.23233	1.0
403.74802	0.4
457.26004	1.3
474.26224	57.1
475.26700	7.9
475.33063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98190	0.3
53.30182	0.3
55.27039	0.2
60.47382	0.3
60.72810	0.2
71.29741	0.5
78.95772	100.0
96.96838	8.6
133.84242	0.3
150.97920	0.5
152.99478	16.3
171.00549	17.4
214.04736	0.5
334.71146	0.3
400.22571	1.5
426.94025	0.3
474.26199	54.6
475.26620	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	473.3634
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
50.18053	0.9
56.79919	0.8
58.51233	0.8
59.01250	4.3
60.99168	2.3
69.52825	6.5
85.06456	4.2
91.91288	0.8
98.19804	1.6
167.03349	1.0
178.48772	0.9
182.40007	1.0
205.15814	1.5
211.12907	0.8
313.25400	2.0
341.28836	0.9
357.31454	3.2
369.31656	1.2
373.34738	21.0
374.35132	1.9
385.34836	2.2
399.32709	8.5
409.34641	7.2
417.33707	45.9
418.34235	4.5
429.33682	12.7
437.34256	1.0
444.91714	1.1
473.28799	3.4
473.36316	100.0
474.36740	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	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69397	0.3
57.03304	0.3
59.01250	100.0
60.01592	0.8
63.02259	0.3
67.29372	0.2
68.73023	0.2
71.01243	1.7
71.08620	0.6
73.02827	0.9
83.01274	0.6
85.02821	0.7
89.02330	0.5
90.15858	0.2
93.03333	0.3
101.02353	1.0
107.01254	0.2
107.16735	0.2
113.02369	0.5
117.03345	0.5
119.04929	2.6
121.02887	0.7
121.88383	0.2
143.04947	0.7
145.02867	0.5
147.00722	0.3
149.02357	0.4
151.00311	0.3
159.04372	0.3
161.04520	0.6
163.03882	1.5
164.04697	0.3
191.03413	0.3
194.47488	0.2
197.06100	0.4
205.04909	0.3
208.03802	0.4
213.05551	0.4
223.06149	0.8
225.05525	0.4
235.93092	0.2
241.05009	1.7
256.07346	0.5
267.06595	0.4
268.03845	3.1
268.06940	0.4
269.04538	8.6
270.04980	1.2
271.09665	1.6
283.09851	1.0
288.07507	0.4
295.06146	0.3
297.11359	0.4
310.08517	0.6
325.10895	0.9
337.07721	0.3
371.20840	0.5
384.09152	0.3
413.21744	0.6
421.92395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.00113	0.5
60.01590	0.8
62.89468	0.5
71.01254	1.7
71.12835	0.8
71.13174	0.5
73.02815	2.9
77.16106	0.5
83.01241	0.7
85.02814	0.8
87.31021	0.5
89.11488	0.6
98.23075	0.5
101.02319	4.4
101.81952	0.6
113.02325	0.9
119.03389	0.6
123.39192	0.5
161.04498	1.2
178.67886	0.6
473.97934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66778	0.3
57.03315	0.6
59.01249	100.0
60.01584	0.9
60.35826	0.3
69.37404	2.9
71.01253	3.8
72.99210	0.4
73.02831	2.6
75.87458	0.3
83.01275	1.1
85.02811	1.6
89.02319	1.8
91.99294	0.3
95.01267	0.6
98.19823	0.7
99.00749	0.4
101.02316	3.1
113.02325	2.2
113.61559	0.3
119.03410	0.7
121.02857	0.5
131.03412	0.4
143.03395	0.5
161.04501	0.9
164.72795	0.3
206.32759	0.3
251.16693	0.5
269.04654	0.7
269.17691	0.4
270.05045	0.4
296.50052	0.3
413.21912	1.2
421.90604	0.3
431.23196	1.0
472.63260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.2
59.01248	100.0
60.01578	0.9
61.98705	0.2
71.01255	3.9
71.01625	0.4
73.02815	2.8
83.01264	0.7
83.04918	0.2
85.02814	2.0
87.00764	0.3
89.02310	1.3
93.03364	0.4
95.01262	0.4
97.02853	0.2
97.06432	0.2
101.02323	3.5
107.01248	0.2
108.02116	0.2
109.02857	0.2
113.02315	2.2
117.03358	0.4
119.03402	0.4
119.04932	0.6
120.26300	0.2
121.02866	0.7
125.02328	0.4
131.03419	0.4
133.02850	0.3
134.48225	0.2
135.04480	0.3
136.56201	0.2
143.03354	0.4
143.04932	0.7
144.04445	0.2
149.02298	0.3
149.04454	0.5
151.00305	0.8
153.05551	0.2
159.04471	0.5
161.02364	0.3
161.04457	1.4
163.03915	0.2
181.59323	0.2
183.04407	0.2
190.02641	0.2
202.68335	0.2
204.03860	0.2
213.05554	0.7
223.06071	0.3
225.05385	0.2
233.20268	0.2
241.05006	2.8
242.05374	0.4
251.16589	0.3
256.07349	1.5
266.05795	0.3
267.06638	0.6
268.03732	3.3
269.04526	11.7
269.17694	0.3
270.04892	1.4
271.05533	0.2
271.06805	0.3
271.09720	4.0
272.10144	0.3
288.07657	0.4
295.06152	0.9
296.06381	0.2
297.11349	0.2
310.08563	0.6
311.05765	0.5
325.10785	1.9
326.11169	0.3
353.10223	0.9
369.09647	0.3
392.10938	1.1
392.61249	0.5
413.21710	1.0
431.10333	0.3
431.23041	0.6
473.10760	0.5
473.17062	0.2
473.23993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81836	0.2
53.89192	0.2
59.01248	100.0
60.01589	0.7
67.19384	0.2
69.06049	0.2
70.86848	0.2
71.01247	1.3
73.02817	1.5
81.30499	0.2
83.01266	0.4
85.02822	0.4
89.02309	0.3
98.19766	0.5
101.02319	1.4
113.02358	0.6
119.03395	0.2
119.04927	0.5
120.13984	0.2
136.20378	0.2
161.04494	0.5
163.03917	0.2
197.74454	0.2
204.07791	0.2
268.03925	0.4
269.04559	0.7
425.35825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92745	0.9
57.17118	0.8
59.01247	100.0
60.32571	1.0
61.98675	1.1
63.89615	0.9
71.52493	1.5
85.02793	0.9
85.06488	0.9
90.40092	0.9
106.64516	1.0
120.43821	0.9
176.61224	1.0
201.03305	0.9
260.19980	0.8
305.48383	1.0
312.55603	0.9
393.43042	1.3
446.42053	1.3
446.66528	1.0
473.20502	2.2
473.32260	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	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95067	1.0
57.03302	3.1
58.00473	1.3
58.02343	1.1
59.01249	75.7
68.90357	1.1
71.01254	20.3
71.52513	2.1
72.99166	1.6
73.02814	6.5
83.01270	1.6
85.02820	16.2
87.00762	1.6
89.02319	9.0
90.39335	1.0
96.09589	1.1
97.02830	1.3
97.06432	2.2
99.00748	1.4
101.02310	14.6
103.03887	28.0
107.04946	1.2
111.04404	3.2
113.02328	9.1
118.59694	1.0
119.03366	4.0
121.02813	1.2
122.60049	1.1
124.05187	1.6
125.05918	6.1
135.04449	1.2
138.06761	2.9
139.07576	2.1
143.03360	1.2
149.04509	1.0
152.58203	1.1
153.09106	5.1
161.04453	4.1
161.63232	1.1
163.11185	19.6
166.09885	1.2
179.05553	2.3
205.12230	4.2
207.10193	14.1
221.11670	1.8
225.09007	1.5
225.11267	19.5
225.14915	4.2
226.11510	1.3
239.12779	1.3
249.11211	3.9
265.09271	16.7
266.09744	1.3
267.12335	1.8
318.54575	1.1
322.20551	1.1
413.21954	3.0
431.22849	3.5
473.20258	100.0
474.20694	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	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95067	1.0
57.03302	3.1
58.00473	1.3
58.02343	1.1
59.01249	75.7
68.90357	1.1
71.01254	20.3
71.52513	2.1
72.99166	1.6
73.02814	6.5
83.01270	1.6
85.02820	16.2
87.00762	1.6
89.02319	9.0
90.39335	1.0
96.09589	1.1
97.02830	1.3
97.06432	2.2
99.00748	1.4
101.02310	14.6
103.03887	28.0
107.04946	1.2
111.04404	3.2
113.02328	9.1
118.59694	1.0
119.03366	4.0
121.02813	1.2
122.60049	1.1
124.05187	1.6
125.05918	6.1
135.04449	1.2
138.06761	2.9
139.07576	2.1
143.03360	1.2
149.04509	1.0
152.58203	1.1
153.09106	5.1
161.04453	4.1
161.63232	1.1
163.11185	19.6
166.09885	1.2
179.05553	2.3
205.12230	4.2
207.10193	14.1
221.11670	1.8
225.09007	1.5
225.11267	19.5
225.14915	4.2
226.11510	1.3
239.12779	1.3
249.11211	3.9
265.09271	16.7
266.09744	1.3
267.12335	1.8
318.54575	1.1
322.20551	1.1
413.21954	3.0
431.22849	3.5
473.20258	100.0
474.20694	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	473.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58746	1.5
55.01765	2.7
57.03328	2.5
58.00463	3.6
59.01249	100.0
60.01567	1.6
61.98697	1.6
65.26423	1.8
69.03336	2.4
71.01251	70.5
71.51783	2.2
71.52172	1.8
72.99183	3.5
73.02398	2.4
73.02816	29.8
75.00737	3.0
81.75003	2.0
83.01246	15.2
85.02827	21.4
87.00758	5.0
89.02317	43.3
93.03320	3.9
95.01252	4.0
96.62469	1.6
99.00767	7.2
101.01667	1.2
101.02320	42.8
111.00770	4.7
113.02325	33.9
117.03367	6.7
119.03443	12.5
119.04914	42.9
120.99531	7.9
121.02802	3.0
125.02377	2.9
131.03384	18.3
135.04387	3.5
137.02303	1.8
137.05980	6.3
143.03432	4.5
145.02846	4.6
149.02417	3.4
149.04437	11.0
160.03932	3.7
161.02316	1.9
161.04439	9.3
161.05688	1.9
163.03941	4.2
167.21187	1.7
175.03983	1.9
177.05502	2.3
179.05565	3.0
190.02591	3.7
191.03609	3.0
191.05519	20.5
193.04948	2.6
201.11273	2.8
203.05554	2.0
205.04953	6.0
223.06027	2.0
233.06590	4.9
267.07248	1.8
281.10278	33.4
282.05441	2.3
297.07687	22.9
299.11386	17.9
314.08441	1.7
323.05930	2.8
325.07108	12.0
339.89856	1.8
341.12341	26.2
353.06647	40.6
354.06958	3.1
365.06348	2.5
368.10928	2.1
378.00113	1.8
383.07761	10.2
413.14575	6.1
431.15558	26.0
473.10910	37.0
473.16800	23.9
474.11310	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	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.1
58.01936	1.0
59.01249	83.4
61.98703	2.7
69.94125	1.1
71.01250	16.1
73.02811	7.2
73.85767	0.9
83.01264	1.9
83.04907	1.5
85.02824	14.6
87.00758	1.2
89.02306	13.0
95.01279	2.1
97.06454	1.3
99.00777	2.1
101.02324	12.2
103.03893	30.1
108.02036	1.0
109.06416	1.1
111.00812	1.2
111.04384	3.5
113.02331	9.4
119.03381	4.5
121.02770	1.2
121.06509	1.4
125.05970	4.5
137.09615	1.2
138.06731	1.8
139.07491	1.2
143.03435	1.3
149.06058	1.1
153.09113	5.5
161.04456	4.2
163.11176	19.1
165.09161	1.5
179.05493	1.6
181.12224	1.8
187.11281	1.6
205.12250	3.9
207.10219	15.7
225.11292	17.5
225.14835	5.6
241.14412	1.4
247.08124	2.1
249.11310	4.6
265.09296	19.2
267.12360	3.4
311.05667	1.6
331.79703	1.2
402.20605	1.1
413.21820	4.3
431.22867	4.3
446.24185	1.4
473.20251	100.0
474.20419	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	473.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81445	1.4
57.03315	1.4
58.00449	1.2
59.01246	68.8
69.19267	4.0
69.19688	9.5
71.01247	26.6
72.57758	1.3
72.99170	2.3
73.02811	11.1
73.70115	1.1
78.27618	1.3
83.01248	3.5
85.02822	11.3
87.00739	4.8
89.02299	11.2
93.03318	2.7
95.01250	2.8
99.00769	1.8
101.02318	16.8
103.03916	1.6
104.03376	1.5
105.05411	2.2
108.02045	9.2
109.02821	2.7
113.02314	12.7
119.01256	6.5
119.03387	3.4
121.02814	3.6
125.02355	1.5
132.02080	1.5
134.03630	3.6
135.04422	2.0
135.05513	1.3
135.30858	1.3
137.02322	1.8
147.00813	7.4
149.02354	17.6
152.01060	6.6
153.01773	2.3
160.01576	4.9
161.04446	3.7
162.03101	1.3
163.03909	4.2
164.04716	15.3
165.01851	1.7
165.03891	2.0
167.03357	2.2
175.00270	41.4
175.03900	6.1
176.00723	2.5
179.03394	1.3
179.05545	2.2
179.06982	2.3
190.02629	100.0
191.03049	4.5
193.05016	2.4
197.15343	1.9
205.04984	97.8
206.05342	3.5
208.03802	1.6
209.04532	1.5
223.06041	28.6
241.14409	3.7
261.32608	1.6
262.89227	1.4
265.06921	1.8
265.09485	2.1
268.03653	6.2
269.04395	2.3
269.10315	1.3
269.17496	1.2
311.05792	1.5
315.61044	1.2
357.09717	2.3
371.09824	1.8
413.21704	2.1
431.15698	2.9
433.65991	1.3
458.14120	2.2
473.16623	88.4
474.17209	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	473.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.1
57.03313	1.0
58.00462	1.2
59.01249	100.0
60.01573	1.0
61.98673	1.0
71.01249	31.0
71.23048	1.5
72.01603	0.8
72.99181	2.1
73.02813	14.2
75.00754	0.9
83.01248	4.7
85.02815	9.9
87.00754	2.9
89.02316	12.9
91.01765	1.1
93.03325	0.7
95.01260	2.5
95.04952	0.8
97.06510	0.6
99.00761	1.5
99.04375	1.2
101.02320	20.6
103.03912	2.2
107.04929	0.7
111.00787	1.1
113.02323	16.2
115.00237	0.8
119.01290	5.1
119.03372	5.7
121.02835	3.4
125.02332	0.9
125.05923	0.7
128.81018	0.6
131.03381	1.5
135.04364	1.8
143.03416	2.4
147.00812	4.1
149.02342	12.5
149.04329	1.0
152.01079	1.8
154.07538	0.7
161.04457	6.5
163.03922	2.5
163.11208	1.3
164.04709	12.1
165.01807	1.6
165.03932	1.6
165.10231	1.3
175.00266	27.8
177.01796	0.9
179.05508	1.9
179.07089	2.2
189.01865	0.9
190.02631	81.3
191.03052	3.3
205.04993	91.5
206.05351	3.6
207.02797	0.9
208.03694	1.3
208.10840	1.2
209.04439	2.2
209.09380	0.9
210.07585	1.0
223.06068	23.3
224.06308	1.2
225.11299	1.1
226.11942	1.1
230.30264	0.7
233.15479	0.9
244.12906	1.2
247.08122	1.1
251.16496	1.0
252.01022	0.8
265.09338	2.0
269.17468	1.3
318.11963	0.7
413.22177	3.2
431.22839	2.6
455.21646	0.8
458.14313	1.6
473.16534	82.0
474.17017	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	473.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.7
61.98698	2.9
69.69582	7.0
74.68304	0.9
75.00745	1.6
80.36962	1.0
85.06466	2.0
93.15932	1.1
139.03941	2.2
148.01497	1.1
149.02342	2.8
161.02364	1.4
164.98195	1.3
170.03641	2.3
172.01599	3.0
174.03123	1.5
175.00267	3.2
176.98250	1.2
186.03169	1.5
198.03009	1.3
202.02637	6.8
208.96443	1.1
213.01866	1.5
214.02641	4.7
229.01407	1.2
229.08638	2.9
230.02196	5.8
241.01514	1.2
242.02281	6.3
257.01083	1.1
258.01642	18.5
259.01974	1.8
270.01685	3.8
273.04102	1.3
283.02344	2.1
285.00375	2.1
286.01187	39.1
286.93515	1.2
287.01593	2.8
301.03540	13.1
314.00705	22.8
315.01343	3.2
328.99576	1.0
329.02988	52.3
330.03378	5.8
344.05334	100.0
345.05804	10.5
345.72498	1.1
353.34155	1.1
415.11844	7.9
455.14941	1.8
458.12048	2.9
464.88684	1.3
473.15759	9.5
473.32892	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	473.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.6
61.98699	3.1
71.01262	1.0
71.52129	1.0
71.52541	1.9
83.01222	1.2
111.38457	1.0
121.02849	1.1
139.03909	1.4
141.84061	0.9
149.02306	3.3
160.24759	1.0
170.03654	1.6
172.01570	3.3
174.03201	1.2
175.00253	4.2
186.03169	1.5
198.03151	1.8
202.02609	9.6
214.02602	4.5
220.16240	1.0
230.02200	7.4
241.01549	1.0
242.02103	6.8
258.01669	19.5
270.01694	3.6
274.56726	1.1
283.02362	1.4
285.00424	1.8
285.97995	2.3
286.01187	45.0
287.01401	2.9
297.00247	1.1
301.03552	11.9
314.00638	21.3
329.02991	51.2
330.03400	2.7
341.32159	1.0
344.05310	100.0
344.41238	0.9
345.05685	7.8
458.12015	3.5
473.14728	6.3
473.25381	1.9
473.35709	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.8
65.03828	0.7
65.64067	0.2
69.03336	0.4
69.16827	0.5
69.17231	2.5
71.01250	0.8
73.02824	0.3
80.70679	0.3
85.02830	0.3
89.02326	0.3
93.03330	34.6
94.03663	0.7
99.05516	0.6
101.02311	0.5
103.03882	0.6
113.02333	0.3
120.04436	27.9
121.02834	6.8
121.04784	1.1
136.03934	9.7
136.04979	0.5
146.05942	0.4
148.03961	1.2
158.06013	0.2
160.07559	1.1
162.05478	0.7
174.09158	1.5
176.07092	2.9
177.10197	1.2
190.08661	3.9
191.11833	0.8
203.08148	0.9
205.09723	0.3
211.13272	0.3
217.13373	0.3
231.14922	0.4
233.12941	0.4
245.12840	0.5
281.12924	12.4
282.13306	0.8
292.19891	0.6
295.14532	3.6
296.14529	0.3
297.12405	15.3
298.12750	1.0
311.14020	5.1
312.14304	0.5
351.16989	0.5
352.20227	3.9
353.20660	0.4
378.17972	2.0
472.22339	100.0
473.22424	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	472.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70723	0.3
59.01245	6.6
60.01573	0.5
65.03840	0.7
69.32089	1.8
69.32526	1.5
71.01238	1.7
72.09135	0.3
72.16148	0.4
77.17355	0.4
85.02822	0.7
85.71372	0.3
89.02283	0.4
93.03328	100.0
94.03670	2.8
99.00761	0.4
99.05500	0.5
101.02307	0.6
113.02280	0.6
116.61808	0.3
118.02817	0.9
119.04921	0.3
120.04431	11.9
120.05278	0.8
121.02812	0.8
135.04509	0.5
136.03915	1.7
148.03949	1.1
160.07552	0.4
161.02260	0.6
168.19785	0.3
177.10237	1.4
190.08592	2.9
191.11774	1.6
203.08203	0.8
224.16920	0.3
233.12845	0.5
240.89049	0.4
245.12669	0.4
258.25214	0.4
281.12915	10.8
282.13153	0.7
352.20291	2.2
378.18170	15.4
379.18436	0.8
396.19217	0.9
472.22324	72.0
473.22870	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01586	1.0
69.49115	2.1
69.49532	0.7
71.01248	3.1
73.02811	2.9
83.01268	1.0
85.02825	0.6
89.02339	1.3
90.43256	0.4
98.19753	0.5
101.02325	3.6
103.03909	0.4
104.24331	0.4
111.00822	0.4
113.02338	1.5
119.03394	0.7
131.03442	0.4
136.51726	0.4
139.93892	0.4
143.03394	0.5
161.04532	1.1
205.12303	0.8
265.09268	0.6
320.51773	0.4
443.82056	0.4
471.23193	0.5
475.16290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.7
59.01248	100.0
60.01589	1.4
71.01250	6.7
72.99185	0.4
73.02816	10.1
82.59663	0.3
83.01257	3.2
85.02816	4.0
89.02319	1.8
101.02316	9.4
103.03888	5.6
108.02048	0.4
113.02312	2.5
119.03402	0.9
125.06054	0.3
131.03418	0.7
135.11728	0.4
143.03423	0.6
149.04483	0.8
149.09651	0.4
161.04469	2.3
161.09584	0.6
165.12772	0.9
179.10721	1.1
203.10730	1.1
206.68230	0.3
207.13852	2.2
219.13867	0.7
221.06763	0.6
221.11887	0.4
221.15498	0.4
231.13873	1.1
233.11436	0.3
249.14969	1.1
265.09283	5.8
312.81738	0.3
377.58652	0.3
379.64142	0.3
427.19681	6.9
428.20593	0.7
471.18353	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	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01716	0.3
56.26151	0.2
57.03306	0.3
59.01249	100.0
59.14814	0.2
60.01585	1.1
61.98705	0.9
69.31311	0.3
69.31615	2.2
71.01244	2.1
73.02811	2.0
74.42168	0.2
83.01241	0.5
85.02831	1.0
89.02328	0.7
89.43076	0.2
95.21391	0.3
101.02319	1.8
103.03895	1.0
113.02342	1.0
119.03379	0.4
120.04451	0.3
121.02840	0.8
125.80793	0.2
143.03412	0.4
149.04480	0.3
161.04523	0.4
195.45648	0.2
205.12419	0.3
218.73294	0.2
223.13171	0.4
258.62961	0.3
265.09348	1.5
281.13016	0.4
386.32846	0.2
457.53171	0.3
471.21918	2.3
472.22681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89303	0.1
55.01753	0.2
57.03324	0.3
58.00475	1.5
59.01242	1.4
61.98687	0.3
67.01756	1.7
69.03318	0.7
69.33952	1.0
69.34366	0.4
70.88306	0.1
71.01246	0.6
72.99178	1.1
73.02815	0.8
75.00742	8.9
79.05380	0.2
80.02515	0.2
81.03322	0.3
83.01232	0.3
83.04893	4.9
84.02034	0.5
85.02826	0.9
93.03316	0.4
93.06973	0.5
95.01245	1.1
95.04901	0.9
97.02811	0.7
97.06464	0.4
98.19775	0.3
99.04387	0.3
105.03326	0.3
106.04105	0.8
107.04910	0.8
108.02007	0.2
109.02837	0.4
109.06480	0.3
111.00749	0.8
111.04359	1.1
113.05955	0.5
119.08515	0.6
121.02828	0.3
121.06482	6.6
121.07342	0.4
122.06845	0.3
123.08047	0.5
129.06981	0.7
131.08549	0.6
133.06467	0.8
134.07266	0.2
135.04440	0.3
135.08049	1.2
137.09590	1.1
145.06485	1.0
147.06870	0.3
147.08047	4.6
148.74699	0.2
149.05981	0.5
149.09621	3.0
150.06818	0.2
151.07562	0.2
159.08011	0.4
161.09656	0.2
163.07549	0.3
165.05501	0.6
165.09119	1.3
169.10156	0.2
171.08015	0.5
171.10155	0.2
171.11668	0.2
172.08806	0.3
173.09578	0.3
175.07510	0.2
183.08092	1.4
185.09558	0.3
187.11206	0.5
189.09137	0.2
189.12784	0.5
191.14307	0.4
197.09615	0.8
199.07574	0.3
199.11229	1.1
200.08197	0.3
201.12714	0.5
211.11232	0.2
213.09021	0.3
215.10693	1.2
217.12260	3.8
218.12675	0.2
227.14250	0.3
229.08774	0.2
237.12778	0.2
240.06665	0.2
241.15912	0.4
243.10222	5.4
244.10585	0.3
245.19061	0.3
253.16077	0.2
255.17542	0.5
257.11777	0.4
257.19095	1.5
259.09698	0.6
273.18488	0.2
277.15988	0.2
285.18665	0.9
297.14874	0.5
309.14709	0.2
323.20068	0.4
324.89386	0.1
325.18237	0.2
351.19647	1.7
374.79831	0.2
391.19196	0.2
409.20407	0.2
411.18060	0.3
427.20981	0.7
453.19080	0.7
471.20193	100.0
472.20554	9.6
485.97128	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.3
57.03317	0.3
58.00476	1.1
59.01250	1.3
60.64582	0.1
61.98704	0.9
65.03843	0.1
67.01756	1.6
68.99658	0.1
69.03325	0.6
69.40029	0.9
71.01244	0.5
71.04892	0.1
72.99184	1.0
73.02828	0.8
73.86557	0.1
75.00743	8.8
79.05393	0.3
80.02530	0.1
81.03310	0.3
83.01263	0.1
83.04894	5.1
84.02043	0.4
85.02811	0.7
87.04375	0.1
90.65567	0.1
93.03326	0.5
93.06961	0.5
95.01262	1.2
95.04906	0.8
97.02814	0.6
97.06467	0.5
99.04391	0.3
105.03338	0.2
105.06954	0.2
106.04118	0.8
107.04902	0.8
107.08545	0.2
108.02020	0.2
109.02824	0.3
109.06478	0.2
110.03569	0.1
111.00774	0.8
111.04403	1.0
113.05976	0.5
117.06993	0.2
119.04890	0.2
119.08518	0.6
120.05708	0.2
121.02841	0.3
121.06477	6.6
122.06815	0.2
123.04378	0.1
123.08047	0.5
124.01532	0.1
125.02328	0.1
129.07011	0.7
131.04878	0.1
131.08553	0.7
133.06511	0.9
134.07297	0.3
135.04414	0.3
135.08041	1.1
136.01567	0.2
136.05270	0.1
137.09619	1.1
143.08571	0.2
144.05667	0.2
145.06479	1.0
147.08051	4.6
148.05229	0.1
148.08324	0.2
149.05997	0.8
149.09605	2.7
150.06839	0.1
150.09901	0.2
151.07518	0.2
152.04639	0.1
157.06471	0.2
157.10132	0.1
159.08046	0.3
161.05980	0.2
161.09671	0.2
163.07544	0.2
163.11220	0.2
165.05472	0.5
165.09106	1.5
169.06415	0.1
169.10129	0.2
171.08063	0.5
171.11656	0.3
172.08817	0.2
173.05946	0.1
173.09628	0.2
173.13330	0.1
175.07530	0.1
175.11215	0.2
175.16776	0.1
177.05409	0.1
177.09224	0.1
179.08485	0.1
181.06467	0.1
181.10173	0.1
183.08069	1.5
184.08815	0.2
185.06107	0.1
185.09637	0.4
187.07584	0.1
187.11206	0.6
189.09192	0.3
189.12732	0.5
191.14378	0.5
197.09637	0.6
197.69695	0.1
198.10471	0.1
199.07565	0.4
199.11171	0.9
200.08350	0.3
201.09123	0.1
201.12816	0.4
211.11287	0.1
213.09201	0.2
213.12750	0.1
215.10718	1.0
215.14430	0.1
217.12277	3.5
218.12651	0.1
223.11192	0.1
225.09119	0.1
225.12732	0.2
227.14320	0.5
228.07941	0.1
229.12311	0.2
231.10291	0.2
241.15840	0.3
243.10222	5.5
244.10605	0.3
245.19077	0.2
253.16161	0.1
255.17477	0.4
257.11826	0.3
257.19022	1.6
258.12399	0.2
259.09741	0.8
265.15793	0.1
273.18628	0.2
277.16016	0.2
283.09683	0.3
285.18668	0.8
291.17606	0.3
295.17151	0.1
297.14999	0.6
307.13388	0.1
323.16626	0.1
323.20187	0.3
325.18015	0.1
335.16519	0.1
349.18472	0.1
351.19614	1.5
352.19836	0.1
391.19168	0.2
409.20016	0.3
411.18106	0.3
427.21011	0.5
427.32407	0.1
429.93793	0.1
453.19150	0.8
471.20178	100.0
472.20547	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	471.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38412	0.4
57.03325	3.0
58.00504	1.1
59.00963	1.1
59.01246	23.5
61.77502	0.4
61.78456	0.4
65.04871	0.4
69.17282	4.7
71.01250	11.0
72.99221	0.9
73.02853	1.2
83.01302	1.2
85.02818	18.8
87.00766	0.9
89.02311	11.7
93.03377	0.9
95.01291	0.8
99.00750	0.7
99.04417	0.6
101.01682	0.4
101.02312	8.9
103.03884	33.8
107.04963	0.5
113.02336	6.0
117.05477	0.6
119.01343	0.9
119.03378	5.1
119.04959	0.4
121.02843	3.1
132.02063	0.6
134.03667	0.7
135.04459	1.2
140.93098	0.4
143.03418	0.7
145.05014	1.2
147.00826	0.6
147.04478	1.7
148.01591	0.5
149.02341	23.9
150.02696	0.8
151.03882	0.5
152.01122	0.7
160.03937	5.6
161.04327	3.5
163.03906	3.2
164.04694	19.7
165.05312	1.5
173.02452	0.6
175.00266	6.0
175.01540	0.5
176.01050	2.9
177.05554	1.1
178.06235	0.5
179.05623	0.7
179.07098	3.5
188.04773	0.7
190.02637	19.0
191.03404	6.1
193.01428	0.6
193.04974	0.6
195.02943	0.6
203.07010	0.5
205.05005	21.1
206.05731	7.9
207.02867	3.2
208.03723	2.2
209.04424	0.4
221.08147	5.5
222.05254	1.0
223.06064	25.3
223.13356	0.6
224.06485	1.2
235.02455	0.9
237.07632	2.6
247.08289	0.6
250.04788	2.2
265.07190	8.4
265.09338	100.0
266.09625	3.6
295.08298	2.1
325.09286	4.4
367.10330	2.2
471.15009	67.4
472.15369	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	471.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.5
59.01242	12.8
60.74302	1.7
71.01265	9.0
72.99139	2.1
83.01230	1.8
85.02822	12.5
89.02311	7.8
98.19757	3.7
101.02299	6.3
103.03888	27.7
107.52487	1.9
113.02287	1.9
117.05461	1.8
126.81506	1.7
149.02336	20.8
164.04715	15.2
165.05313	2.3
175.00258	3.6
179.07054	2.3
190.02585	14.1
191.03358	5.5
205.04993	17.1
206.05746	6.8
207.02966	2.9
208.03712	2.3
221.08127	5.2
223.06075	18.7
265.09314	100.0
266.09647	3.8
325.09290	4.9
344.29074	1.9
471.15015	66.0
472.15530	5.8
483.97101	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97247	1.5
56.30626	1.3
57.03325	10.4
57.04319	1.3
57.17757	1.4
57.37011	1.4
59.01248	25.1
71.01254	53.3
72.99208	2.4
73.02803	6.8
75.00743	2.1
83.01256	6.2
83.02382	2.7
85.02821	33.3
87.00755	3.2
89.02303	9.6
93.03367	1.9
95.01267	4.1
98.20576	2.8
99.04369	2.7
101.02316	12.7
101.05943	2.9
103.03886	84.8
104.04211	2.4
111.00753	3.6
113.02330	15.4
117.05460	1.9
119.01254	1.8
119.03371	3.8
121.02808	5.3
132.02058	2.1
134.03642	1.5
135.04433	2.6
139.00235	1.6
142.28207	1.4
145.04964	2.8
147.00732	1.9
147.04408	5.0
149.02347	48.1
152.01085	2.9
157.04973	3.3
160.01584	2.1
161.04594	2.1
163.03848	2.9
164.04691	41.6
165.05258	2.1
167.32359	1.5
173.02339	1.6
175.00269	14.2
175.03912	3.1
176.01019	3.4
179.07028	4.9
190.00972	2.7
190.02638	42.2
191.03418	10.4
193.04955	2.9
204.04172	1.6
205.04996	44.6
206.05606	4.1
208.03659	4.7
221.08148	5.4
223.06058	47.8
224.06404	2.3
232.03682	1.9
235.05992	2.2
237.07523	3.0
241.14304	2.4
247.06116	4.7
247.08203	84.6
248.08517	3.1
250.04922	1.7
265.07153	8.3
265.09344	77.6
266.09720	2.9
295.10504	2.5
325.09259	1.3
329.13309	1.4
428.85300	1.5
471.14996	100.0
472.15341	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	471.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63605	6.2
58.82464	5.4
61.94305	5.0
71.01257	62.3
72.99155	10.1
85.02817	33.7
87.00768	12.8
88.31667	6.1
96.95872	10.8
113.02339	50.8
126.25610	6.3
173.04521	9.5
235.99707	6.6
271.80206	6.5
300.07599	7.7
321.08521	6.9
339.09192	10.6
411.11273	13.3
471.13577	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	469.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14593	0.8
62.59352	0.8
70.11752	0.8
71.21400	1.4
88.33799	0.8
122.65553	0.8
123.08009	1.1
226.95845	0.9
244.50949	0.9
295.22815	1.2
309.27188	1.1
325.25272	1.7
439.32126	87.7
440.32434	9.2
469.33179	100.0
470.33554	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	470.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55936	0.1
59.01247	1.3
61.71442	0.1
65.22651	0.1
65.26329	0.1
65.99725	0.1
69.36673	1.0
70.60801	0.1
71.01250	0.2
71.66610	0.1
75.69836	0.1
85.02835	0.1
86.02448	0.1
89.02292	0.2
98.20635	0.2
101.02316	0.2
103.03905	0.1
116.04939	4.6
117.03326	0.2
117.05215	0.1
121.02816	0.7
131.03659	0.2
132.04417	0.4
132.97021	0.1
149.02333	0.1
159.03116	0.9
160.03938	100.0
161.04277	3.9
164.04759	0.1
174.01868	0.3
174.05424	0.1
175.00182	0.1
182.27812	0.1
190.02620	0.2
202.04927	0.1
204.02950	5.2
205.03302	0.3
205.05019	0.3
264.06647	2.8
265.06921	0.3
265.09323	0.2
307.15405	0.3
308.15741	0.4
348.07187	0.2
387.24112	0.1
470.10876	12.4
471.10901	1.3
471.17184	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.0
71.01247	3.7
71.21859	2.0
78.95766	2.8
89.03836	2.2
113.41606	0.9
117.03284	2.2
126.69323	0.9
132.02029	0.9
133.77342	0.8
143.04918	1.7
145.02779	1.2
148.68352	1.0
152.99446	4.4
161.02328	9.5
163.00233	3.2
171.04442	1.3
173.02318	2.7
174.03156	1.1
176.01064	4.6
177.01822	2.3
179.03236	1.1
187.00244	1.1
187.03914	27.6
188.01056	4.1
188.04581	2.5
189.01852	58.4
190.02570	6.7
199.03857	3.8
201.01865	1.7
202.02571	2.5
203.03365	1.9
208.68704	0.9
211.03978	2.2
211.07440	1.1
213.05438	1.2
214.99861	1.5
215.03450	17.5
216.00623	30.2
216.04152	26.1
216.99429	1.4
217.01366	16.3
227.03377	4.2
227.07001	1.9
228.04138	3.5
229.04964	3.2
231.02922	2.9
231.06598	3.8
232.98679	1.5
233.00850	19.2
239.06914	1.2
241.19359	1.6
241.21681	25.9
243.02908	8.9
247.02386	5.0
248.03163	1.0
254.05872	1.7
255.06606	7.8
256.07343	5.9
257.08054	1.1
260.03186	8.9
273.07391	1.2
274.08450	12.6
275.05484	3.6
283.09808	1.2
289.10828	3.2
297.11328	24.1
298.11661	2.5
301.07114	7.3
307.13257	2.7
307.26376	1.0
309.14798	1.6
318.07526	1.9
323.12933	1.9
324.13528	4.7
325.14478	17.0
326.14905	3.1
333.09760	12.2
351.15927	1.3
352.12994	3.9
352.16678	11.9
353.13535	3.7
353.17346	2.0
367.19104	1.7
369.13382	14.5
379.15283	4.4
382.17795	2.8
383.18484	1.5
384.15735	3.7
396.15817	5.5
397.20422	1.0
410.20670	3.2
411.18011	4.0
412.18149	1.5
425.23004	2.8
437.19748	1.9
446.25604	1.0
469.22141	100.0
469.33084	4.6
470.22479	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	469.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92226	0.4
57.03312	0.6
57.83977	0.4
57.97427	0.7
59.01245	5.5
61.98697	1.0
62.94145	0.3
71.01243	2.4
72.01554	0.5
73.02811	0.9
75.00739	1.0
83.01263	0.4
84.93474	0.4
85.02823	1.2
87.00726	0.5
87.04379	3.5
89.02282	0.5
92.04957	0.5
93.03327	1.5
95.01263	0.6
96.00808	0.9
101.02314	1.4
106.04117	13.7
107.04937	2.9
108.02055	1.5
109.02827	0.9
111.00771	0.5
113.02301	1.2
116.92690	0.6
119.03327	0.4
119.04896	1.1
121.02838	0.9
125.02227	0.4
136.03899	0.4
137.02321	0.8
137.05962	0.4
138.03119	3.4
145.06432	0.4
146.02336	0.8
147.04437	2.2
147.07983	0.8
149.02275	0.5
149.09561	0.5
150.03127	1.4
151.03841	0.4
152.01045	0.6
158.06039	0.4
159.19653	0.4
160.57001	0.4
161.04434	0.4
161.09721	0.4
162.86571	0.4
163.03882	0.7
164.03397	1.1
164.07092	2.7
164.30251	0.4
175.11192	17.4
176.11618	0.8
182.02084	1.8
187.11194	5.2
188.07079	10.4
191.03331	0.4
205.05016	0.8
205.12222	0.5
219.10168	1.7
221.11877	0.6
227.14320	0.4
232.06287	0.4
233.98509	0.5
237.09212	0.7
241.14590	0.4
245.15469	0.6
248.09344	0.5
249.01001	1.5
263.16595	3.4
264.03210	2.0
265.10828	0.9
281.08185	0.6
289.14526	0.4
305.13931	0.5
307.15479	100.0
308.15799	6.9
469.17029	2.9
470.16779	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	469.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31399	0.6
53.61239	0.6
57.03330	4.5
58.00468	0.7
59.01251	16.5
71.01259	8.3
72.99162	1.3
73.02824	1.4
83.01239	0.8
85.02820	19.4
87.00769	1.1
89.02297	1.1
92.02560	2.1
93.03338	11.7
95.01256	7.1
99.04381	1.3
99.92443	4.0
101.02328	1.9
103.03889	29.7
107.04910	8.9
108.02046	9.4
113.02295	1.6
115.91970	3.4
116.92713	1.6
117.05417	1.0
121.02841	2.0
136.01561	54.0
137.02065	1.4
138.90096	0.6
145.04976	0.8
147.08015	2.5
149.02344	20.2
150.03174	3.6
151.03885	3.0
161.72417	0.7
163.03870	0.9
177.09149	10.4
179.03372	2.2
186.96939	1.4
191.07008	1.7
221.08148	21.2
222.08482	1.4
233.08054	0.8
235.09682	6.0
247.08070	0.8
263.09131	3.4
265.07230	0.8
265.09363	8.0
289.14346	0.8
293.32120	0.7
307.15518	7.4
323.11371	1.6
385.11615	1.0
439.16003	2.4
469.17029	100.0
470.17416	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	469.1864
Annotation	Toonaciliatin B
Peak:m/z	Relative Intensity
59.01244	17.8
67.01765	2.6
69.03316	1.9
69.30088	5.0
71.01225	1.6
72.08900	0.5
72.99168	2.1
73.39159	0.5
79.05392	1.0
81.03313	0.6
83.04901	2.5
85.02821	10.3
93.03292	1.0
93.06957	1.2
93.76441	0.5
95.01243	1.7
95.04899	0.9
96.95889	0.5
97.02812	1.6
101.75201	0.5
105.06948	1.0
106.04112	0.7
107.04873	1.6
107.08501	0.5
109.02792	1.9
109.06454	2.1
111.00756	1.2
111.04374	1.1
111.08037	0.5
113.02345	0.6
119.04913	1.7
119.08514	1.9
120.05719	0.9
121.02850	7.8
121.06473	5.8
122.03610	0.6
123.04350	0.8
123.08041	0.6
129.06931	0.8
131.08598	0.5
133.06451	3.3
135.04405	1.2
135.08052	8.5
136.01543	0.5
137.05951	1.9
137.09583	2.1
145.06514	3.7
147.04402	1.6
147.08029	5.2
148.05226	0.7
149.05984	5.0
151.07535	1.0
159.08014	1.1
161.05948	1.8
161.09615	1.3
163.07561	8.6
164.08374	2.7
165.05447	1.2
165.09128	14.8
171.08037	1.7
172.05121	0.6
173.05949	0.9
173.09569	1.3
175.07492	1.3
175.11096	0.9
177.09088	1.2
177.12776	0.8
178.09808	1.7
179.10646	2.9
183.08009	1.5
185.09612	1.6
187.07513	0.9
187.11189	2.5
189.05406	1.5
189.09116	1.2
189.12715	1.9
190.06361	0.6
191.03458	0.9
191.10657	1.0
197.09636	1.6
199.11229	1.4
200.08299	0.6
201.09026	1.1
201.11096	0.9
203.10678	1.5
203.14307	1.1
204.11476	2.2
205.08652	2.4
205.12257	7.9
211.13274	1.4
213.09045	1.3
213.12779	0.6
215.10736	2.4
217.12328	1.1
219.06685	0.5
220.65361	0.5
223.11012	0.5
225.09248	0.8
227.10670	1.1
227.14363	0.6
231.10202	5.2
231.13866	1.4
237.12830	0.6
239.10612	0.6
239.14447	0.9
243.10231	9.8
244.10616	1.0
245.11732	1.0
251.10654	0.8
253.12270	0.7
253.16042	0.9
255.17505	0.9
257.15344	1.0
259.09692	0.8
267.13965	1.3
267.17383	0.7
273.18604	1.1
275.14270	0.6
279.10251	0.7
279.13745	0.8
281.11819	2.9
283.16965	3.6
285.15121	0.5
285.18665	1.6
287.13098	0.7
293.15442	1.0
294.12375	0.6
301.18085	2.8
308.10339	0.6
309.11221	1.9
309.14627	1.0
311.16565	0.8
315.13763	0.9
319.16687	0.5
321.14935	0.8
323.12735	1.0
333.15012	1.1
335.20328	0.9
337.10675	1.2
337.14441	1.2
337.18152	0.9
338.11584	1.9
345.18588	1.3
347.16360	1.2
349.18076	1.2
351.12021	0.9
351.19626	1.1
361.18240	0.8
363.19720	2.0
364.16803	0.8
366.14804	0.8
374.15363	0.9
377.13776	1.2
379.19162	2.3
381.16602	1.2
381.20703	1.6
389.17630	3.0
391.15741	0.8
392.16302	1.3
399.18094	7.2
400.18411	0.7
407.18637	6.6
409.16531	1.8
425.19644	23.1
426.19980	2.6
451.17493	2.5
469.18622	100.0
470.12100	0.6
470.19003	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	469.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.2
57.03319	8.8
59.01237	19.6
60.65825	3.6
63.54012	4.0
68.99694	7.5
70.69167	9.0
70.69527	7.2
71.01252	34.2
72.99169	15.6
73.02807	5.4
73.73180	4.6
75.00724	7.2
78.25849	3.7
82.75529	3.8
83.01267	18.9
85.00880	7.4
85.02806	11.2
85.81791	4.0
87.00762	13.9
89.02321	6.2
93.03348	4.0
99.00754	34.7
100.98657	6.1
101.02324	9.4
111.00764	40.3
112.98679	83.9
113.02354	7.2
115.00240	14.5
117.01810	8.5
121.02834	4.6
127.02020	4.5
129.01804	18.6
142.99759	19.4
143.01488	6.3
143.03394	7.9
145.01318	94.0
145.03018	5.5
146.01680	4.5
150.03105	7.2
171.00999	9.0
173.00810	18.5
187.02306	5.4
191.10703	15.8
205.03455	8.4
206.05875	4.3
219.10243	7.9
221.08047	11.0
231.03119	10.9
235.09702	9.6
263.05795	53.6
263.09119	7.6
307.04874	3.7
307.08243	18.7
310.18481	4.9
352.32394	5.0
409.07791	8.2
419.66644	3.7
451.09036	15.1
469.09576	100.0
470.10233	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.4
63.81805	1.1
65.09387	1.6
71.01251	1.6
71.23845	3.1
85.02840	2.0
94.04110	1.5
107.04846	1.4
108.02058	2.6
109.02840	9.4
113.02322	2.4
118.92106	1.6
121.02838	32.7
121.71972	1.3
122.03624	66.5
123.04462	2.7
123.08047	8.6
135.04404	2.4
137.02330	4.8
142.50278	1.3
147.07994	1.4
149.02336	10.9
150.03159	8.9
163.07512	1.9
173.09621	3.6
175.11154	2.4
182.02090	1.6
189.08937	1.3
191.10689	100.0
192.11069	5.0
198.53778	1.4
217.08705	7.5
219.10208	28.3
219.12202	2.4
220.10562	2.3
235.09691	30.4
236.10095	3.1
245.08180	2.1
259.09827	1.4
261.07660	3.5
263.09216	33.8
264.09833	1.9
271.72238	1.2
276.33731	1.2
289.07187	13.2
305.10342	2.7
307.08221	44.5
308.08704	4.6
439.00458	1.7
451.12589	2.6
469.13202	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	468.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83783	1.3
59.01250	16.8
61.98674	1.9
70.06174	5.4
71.01244	3.7
71.13965	1.4
72.99136	1.6
73.02814	2.8
85.02836	3.4
89.02296	2.5
93.03326	2.4
95.04881	6.2
101.02339	2.4
107.04903	2.1
108.02035	6.4
109.02832	14.4
113.02310	2.6
119.04922	2.1
121.02842	28.7
122.03612	4.4
123.04414	2.6
129.83850	1.8
131.04962	1.6
134.03607	2.1
135.00755	5.6
135.04387	1.6
137.02353	2.2
143.04922	2.7
145.06499	1.8
149.02367	2.2
152.01007	4.4
153.01834	5.3
157.06424	2.8
161.02339	2.2
165.01813	3.6
171.07994	3.3
173.06000	2.2
173.09634	25.6
175.07602	2.4
190.02690	1.9
191.10748	8.8
199.07553	7.3
203.07076	2.7
203.10692	1.9
205.04971	2.8
213.45468	1.4
217.08640	72.1
224.77475	1.5
235.09683	4.5
239.08118	2.5
241.09921	1.6
243.06586	20.9
244.14111	3.8
254.10686	2.3
259.09741	1.9
261.07654	52.9
262.07843	2.4
267.07590	1.5
269.04330	1.7
273.18121	1.4
279.08688	12.9
288.08740	13.5
303.08762	12.8
304.08853	1.8
305.13858	2.7
306.09811	100.0
306.13721	3.9
307.10202	7.6
321.09631	3.5
330.09836	1.7
348.10791	5.9
357.77350	1.5
406.17581	3.9
419.09756	2.4
423.12781	9.1
450.17004	22.1
451.16916	1.9
467.19397	2.0
468.15137	26.4
468.19904	8.7
469.16470	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	467.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49837	1.3
51.87517	1.4
52.67769	1.1
57.03322	1.5
59.01249	1.8
63.27583	1.3
71.01254	26.4
72.02019	3.5
73.02822	1.6
73.92632	1.2
78.95776	2.6
83.04909	1.8
87.04385	16.0
87.18564	1.2
99.04417	1.4
102.48473	1.2
115.00258	22.7
127.03915	2.3
133.01302	7.5
139.07538	5.4
142.60112	1.2
155.14322	3.6
169.15926	1.8
205.80533	1.3
235.34669	1.3
241.06752	1.5
263.23807	9.2
271.24326	1.4
277.25354	2.5
279.23224	4.8
289.25357	7.5
307.26410	100.0
308.26758	7.2
351.25540	9.2
467.31488	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	468.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90068	1.9
56.24585	1.9
59.01249	54.0
61.95432	2.1
61.98714	2.5
65.00197	2.8
70.32274	8.7
71.01244	32.8
71.01614	2.4
72.99200	2.4
73.02818	34.7
74.16237	2.1
80.02542	13.6
83.01247	10.7
85.02812	7.7
87.00777	3.2
89.02326	4.2
89.91708	2.0
91.01763	61.8
99.00789	3.6
101.02306	28.2
107.04888	7.0
108.02055	44.0
108.05254	3.7
109.02834	11.4
111.00716	2.2
113.02320	7.9
117.07769	2.3
119.04952	4.7
121.02827	3.5
131.03397	2.4
133.01584	8.2
135.00771	100.0
136.01483	3.1
137.02322	5.0
152.01053	57.8
153.01836	74.9
157.06450	6.7
160.05121	3.4
161.01100	40.3
161.02335	5.6
161.04463	3.1
162.01859	58.5
163.02205	2.5
163.07402	2.4
175.07574	20.2
176.01062	3.0
176.04739	15.6
177.05110	8.8
180.02919	4.5
181.08932	1.8
201.05434	13.8
202.02100	2.2
203.03471	3.5
203.07130	4.4
204.03764	3.9
210.31715	2.1
219.06543	42.9
220.03783	3.2
221.08064	5.8
226.86565	2.6
228.06560	14.3
233.08202	5.5
261.07700	4.1
261.11215	2.4
262.11633	3.4
297.73608	2.2
305.10229	12.6
305.13452	3.4
306.10596	30.4
306.14178	5.3
338.18472	2.4
423.12933	80.1
424.13245	7.6
450.13962	55.6
451.14645	6.7
468.16034	8.2
469.16348	4.8
491.47632	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	467.1918
Annotation	Paucin
Peak:m/z	Relative Intensity
55.01741	0.5
57.03325	1.1
58.00465	0.8
59.01247	42.3
69.03341	0.5
69.26004	4.2
71.01250	14.7
72.99169	1.2
73.02816	5.9
83.01257	2.6
85.02815	4.8
87.00730	2.6
89.02314	7.4
95.01277	1.5
97.02837	0.6
99.00747	1.0
101.02316	8.4
106.04116	0.8
111.00663	0.5
113.02320	4.5
116.51685	0.4
119.03398	1.2
121.02838	4.8
125.02381	1.2
149.02344	12.9
164.04694	8.0
165.05153	0.5
169.03094	0.4
187.11247	0.6
196.03694	10.2
197.04146	0.6
205.12398	0.5
209.11719	0.6
233.11748	1.2
245.11781	14.2
246.12187	1.4
249.11374	0.7
249.14297	0.4
263.12851	30.6
264.13242	1.9
274.15070	0.4
275.12900	0.7
305.13934	2.5
338.25885	0.4
349.16599	0.7
393.15643	2.0
407.17087	19.3
408.17340	1.7
425.18130	71.1
426.18500	6.6
467.19165	100.0
468.19501	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	467.2068
Annotation	Mexicanolide
Peak:m/z	Relative Intensity
50.87159	2.0
52.45064	2.6
52.85705	2.0
54.98692	2.7
59.00954	4.4
59.01250	82.6
61.98699	6.0
64.13548	2.3
67.01765	2.5
68.99684	62.0
69.03324	24.7
71.01253	41.9
71.52559	2.9
81.03347	3.1
83.01247	5.9
83.04893	5.2
85.02831	5.6
94.97887	1.9
95.01263	26.9
97.02822	27.6
99.00742	15.3
106.04111	3.7
107.04872	3.5
108.02084	7.1
109.02834	12.3
111.04406	12.2
121.02851	2.3
121.06455	3.9
122.03646	5.7
123.04409	6.0
125.05997	3.6
127.00256	9.6
131.05008	2.2
131.60510	2.1
133.06445	2.6
135.04419	4.9
137.02309	2.5
137.05966	6.4
139.00281	2.3
147.04448	2.1
147.08070	3.2
147.11705	2.9
149.06009	3.9
149.09604	8.5
151.03908	13.4
152.04672	3.6
153.05513	3.3
162.03285	2.3
163.03882	4.4
163.07448	2.2
165.12805	2.6
175.03931	3.6
175.07553	8.0
175.11235	3.0
189.12767	4.2
190.73909	2.0
199.09674	3.7
211.11417	2.1
211.13379	6.4
237.12952	2.5
283.16885	2.5
285.12808	2.1
285.18631	6.1
291.14099	3.1
293.11789	2.9
293.15604	2.6
297.18396	4.5
301.12671	2.7
301.16040	9.6
305.15350	2.7
309.18484	13.0
315.13943	3.3
317.18954	3.0
319.17032	3.7
321.15030	3.2
323.19977	2.5
327.19656	39.1
329.15436	5.2
335.16669	3.5
335.20193	13.1
337.18149	3.8
339.16080	3.1
339.19913	4.2
345.18579	42.5
346.19070	3.4
347.16577	4.4
351.19778	8.6
353.21198	14.3
363.15887	10.0
363.19827	18.7
364.20294	2.4
365.98447	2.2
369.20871	7.3
377.21289	5.0
379.19098	26.0
380.19720	3.5
381.20728	22.2
395.22388	6.1
397.20081	10.7
407.18582	5.1
423.21741	41.3
424.22025	4.8
425.19553	3.4
439.21161	32.2
467.15768	4.1
467.20776	100.0
467.31223	4.3
468.20886	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	467.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26180	0.3
59.01246	2.4
62.88843	0.3
65.03821	0.5
67.01760	1.0
69.30618	0.3
69.41141	1.5
69.41555	0.9
71.00653	0.3
71.01244	1.1
72.42867	0.3
73.02792	0.5
80.02547	0.5
83.04888	1.4
85.02829	0.8
93.03337	0.6
101.02341	0.4
107.04913	1.9
108.02056	4.6
109.02151	0.5
109.02831	6.3
121.02841	15.6
122.03632	14.5
123.04385	1.2
123.08018	0.9
129.06984	0.4
131.08554	0.5
133.02840	3.2
134.03629	1.0
135.04414	1.2
137.02240	0.4
144.05740	0.4
147.08003	0.4
152.01044	2.6
157.06470	2.2
159.04395	1.1
159.08028	0.7
160.05205	0.4
161.02319	0.6
161.05980	0.5
163.07529	1.1
165.01834	2.0
166.02661	0.8
173.05934	0.6
173.09598	0.5
175.07578	4.3
177.01848	3.3
177.09132	1.1
179.03400	0.4
188.08345	0.8
189.08919	0.3
191.03471	0.4
191.10703	7.9
192.11176	0.4
201.05496	4.3
201.09178	0.6
203.06953	0.9
219.06570	6.8
221.08099	1.9
225.12747	0.9
231.02989	0.4
231.13841	2.9
241.12292	0.9
241.79074	0.3
243.13853	19.2
244.14189	1.3
251.88033	0.3
261.14935	22.3
262.15292	1.5
269.11874	0.8
287.12875	13.2
288.13284	0.8
303.15698	0.4
305.13916	19.9
306.14273	1.2
370.54025	0.4
467.19193	100.0
468.19562	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	467.192
Annotation	Paucin
Peak:m/z	Relative Intensity
52.18158	0.8
52.73114	0.8
55.01757	1.4
56.97901	1.4
57.03311	1.9
58.61551	0.7
59.00956	1.9
59.01248	38.3
61.98693	1.7
69.04358	0.8
71.01252	20.2
71.29333	1.5
72.99158	2.4
73.02817	7.4
75.00741	1.1
78.51979	0.9
79.71165	0.9
83.01244	3.0
85.02818	8.5
85.99938	1.0
87.00741	3.7
87.04382	0.9
89.02323	4.4
93.03333	3.4
95.01251	2.4
99.00761	1.8
99.04359	0.8
101.02321	9.6
103.03909	1.1
106.04113	6.5
107.04916	3.2
108.02055	2.1
109.02856	1.7
113.02337	5.5
119.04890	1.8
121.02836	7.1
121.06480	1.2
122.03667	1.3
123.00820	1.1
124.01503	1.8
125.02334	1.7
127.60833	0.8
134.03606	2.0
135.04445	2.2
137.02328	2.2
138.03117	1.9
149.02359	1.1
149.05984	1.2
150.03142	1.1
152.01057	1.1
158.03641	1.8
163.03946	1.3
164.04700	3.4
165.73613	1.1
167.03365	1.2
173.09653	1.4
175.11206	16.5
176.01672	3.9
176.04820	1.1
179.03380	0.9
183.08083	0.9
184.07686	2.5
187.11099	1.5
189.12737	1.9
190.02567	1.3
195.04485	1.1
196.03752	3.4
199.07571	2.4
201.09146	11.0
201.12827	3.0
203.07076	1.0
203.10796	1.3
211.07545	1.6
217.12102	1.0
219.10226	12.6
219.13705	4.2
220.00699	1.7
220.03685	1.4
227.10568	1.4
229.08626	10.1
245.08144	18.4
245.11728	4.4
246.08304	1.2
247.13405	1.0
262.01837	1.3
263.09305	7.3
263.12820	7.4
269.04593	1.3
305.10297	4.5
305.13968	8.7
312.56619	0.9
347.14896	2.1
407.17184	6.6
410.49088	1.0
425.18118	24.5
426.18369	1.3
449.17987	1.7
467.19250	100.0
468.09799	3.5
468.19571	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93233	0.6
56.95316	0.7
57.03317	0.7
59.01249	6.2
69.32737	3.5
69.33172	3.2
71.01260	3.6
73.02807	0.7
75.00706	0.9
76.08698	0.7
85.02817	1.7
89.02299	1.1
93.03343	1.8
101.02328	1.9
106.04120	19.9
107.04916	1.1
108.02053	0.9
119.03416	0.8
119.04918	1.2
121.02848	0.9
123.04401	0.8
137.09593	0.9
138.03128	3.7
143.05737	0.7
147.08020	1.6
150.03090	3.5
160.29030	0.8
161.09627	35.6
162.05484	4.7
162.09955	1.8
163.04039	0.8
163.05962	0.9
182.02081	2.6
191.05540	1.2
191.07129	0.8
205.08646	23.9
206.08952	0.7
287.12909	1.1
305.13922	100.0
306.14249	7.0
346.33673	0.8
467.21423	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	467.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44913	1.1
57.03320	46.9
57.07999	1.2
59.00958	2.3
59.01247	30.1
68.00906	1.1
69.62523	7.1
71.01252	11.8
72.05476	0.9
73.02817	2.0
78.97635	1.0
85.02774	1.4
89.02300	4.0
97.02823	1.2
99.04397	23.3
99.05057	0.9
101.02308	11.8
103.15273	1.1
106.04111	1.5
125.02357	6.5
145.07591	3.4
160.06302	13.8
161.04478	11.6
161.05736	2.2
161.07112	45.4
173.10745	2.6
175.03889	2.6
175.08672	28.1
175.11195	4.2
176.08942	1.3
185.10706	2.1
187.08673	4.6
189.06609	79.9
190.06914	2.2
201.10281	8.2
203.08203	37.1
203.11728	8.5
204.08455	1.5
219.10156	3.6
223.67281	1.3
229.09787	17.5
244.41667	1.2
245.08174	2.1
263.09207	1.4
277.11819	3.4
300.46951	1.4
305.11392	73.0
306.11618	3.0
323.12442	100.0
324.12656	6.7
365.13492	10.0
366.14401	1.3
405.16867	1.7
467.17838	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	467.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.5
59.01245	3.3
61.83697	0.3
65.03817	1.0
67.01775	0.5
71.01265	1.2
73.02818	0.6
80.02547	0.8
85.02824	1.3
89.02274	0.5
93.03339	1.7
97.83802	0.4
101.02327	1.0
108.02046	5.2
109.02829	4.4
113.02355	0.4
119.04884	0.6
121.02843	27.4
122.03636	9.2
131.08450	0.3
133.02855	4.2
134.03624	2.2
134.73663	0.3
135.04417	1.2
135.08047	2.0
143.04861	0.7
144.05737	0.5
145.02875	0.7
147.04462	0.6
148.01579	0.6
149.02396	0.4
150.03093	0.5
152.01048	8.3
153.01543	0.3
157.06424	0.4
159.04445	1.9
159.08040	0.3
159.11714	0.4
160.05159	0.6
161.06006	1.7
163.03937	0.5
165.01820	4.7
166.02448	0.4
170.07335	0.4
173.06096	0.6
173.53896	0.3
175.07568	0.9
175.11217	0.5
177.01871	5.5
178.02579	0.5
178.04993	0.4
183.08064	0.4
185.09686	0.9
187.03906	2.6
187.07547	0.4
188.08426	0.3
191.07097	0.3
191.10677	1.7
193.05133	0.4
199.07619	0.4
201.05461	1.8
201.09175	0.9
203.10706	21.5
204.11066	1.0
205.04971	1.9
209.09695	0.4
219.06497	1.3
225.12941	0.6
227.07106	1.6
229.08594	0.5
241.12263	1.0
243.13860	12.6
244.14319	0.7
245.08180	1.4
261.14957	11.5
262.15240	0.6
269.11859	3.5
287.12860	16.2
288.13306	1.2
303.15945	0.5
305.13922	21.3
306.14227	1.8
347.15091	0.5
411.10114	0.4
467.19211	100.0
468.19531	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	467.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19983	0.4
57.04388	0.4
59.01249	6.0
61.98680	0.5
64.86261	0.4
65.00172	0.7
69.45312	3.2
71.01246	1.7
77.21545	0.5
83.01266	0.6
85.02806	1.4
87.00751	0.6
93.03336	1.6
95.01262	0.5
101.02318	1.2
108.02054	0.7
109.02886	0.5
113.02328	0.7
119.04916	2.3
121.02843	1.8
121.06511	1.4
122.03582	0.8
134.03600	0.6
147.04433	0.5
149.05971	2.2
151.00238	1.0
152.01077	0.6
154.08655	0.7
159.04414	0.8
161.02318	2.1
161.09683	0.6
162.03096	1.4
163.03928	0.5
163.07533	0.6
166.72054	0.4
167.07022	0.9
173.04457	1.2
173.05980	2.7
173.33133	0.4
174.03159	3.0
175.03920	6.4
176.04695	30.6
177.05482	44.1
178.05827	1.3
185.83791	0.4
190.02652	0.5
191.07060	0.9
202.02768	0.5
203.03429	17.1
204.03770	0.9
218.00621	0.4
220.01552	0.4
220.03722	12.1
221.04491	12.1
222.04681	0.5
227.03632	0.5
235.09679	0.5
239.08327	0.6
243.13890	0.5
245.08176	0.6
255.02939	1.2
261.11365	0.6
261.15012	0.6
269.04410	0.6
285.04053	1.6
301.20056	0.6
305.10287	100.0
306.10617	5.9
346.64096	0.4
425.17160	0.5
429.18069	0.7
450.16580	2.7
467.20126	4.0
468.17776	1.2
489.10339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91143	0.4
59.01251	3.7
66.76017	0.4
69.36178	4.2
69.94228	0.4
71.01241	1.3
73.02808	0.7
83.04915	2.2
85.02821	0.8
93.03330	0.5
98.19729	0.5
101.02346	0.6
107.56048	0.4
108.02051	0.7
109.02806	0.5
119.04921	1.0
121.06466	0.7
130.04146	0.5
131.04935	0.6
134.03656	0.6
147.04358	0.8
149.05952	2.0
153.09259	0.5
159.04428	16.3
159.05757	0.8
161.02324	1.1
161.05939	0.9
162.03082	0.5
165.19768	0.5
167.06958	0.6
174.03148	1.2
175.03937	5.6
176.04712	15.9
177.05486	54.3
178.05844	2.0
185.02364	1.5
187.03912	1.6
201.05348	0.5
203.03477	5.5
203.07072	22.6
204.07390	1.1
218.02173	1.5
219.06641	0.5
220.03705	4.9
221.04367	1.2
229.05028	5.6
243.10144	1.0
247.06087	15.6
248.06416	0.7
261.11331	4.9
261.13928	0.6
261.14813	0.4
287.09534	0.5
305.10294	100.0
306.10672	7.2
340.14288	0.4
449.02054	0.5
467.15244	1.7
467.20096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86497	0.8
59.01248	100.0
61.98685	0.8
67.92517	0.8
71.52258	0.9
81.31895	0.9
87.52934	0.8
93.00621	0.8
97.02802	1.4
97.06474	1.2
121.02802	3.9
127.79559	0.7
139.50104	1.0
162.83810	11.8
201.01955	2.2
269.07016	1.2
281.05859	0.9
407.17572	4.5
467.24603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78859	1.2
54.96412	1.1
57.03313	1.3
59.01251	8.2
60.70631	1.0
69.29273	11.2
69.29622	1.9
71.01257	10.6
73.02790	1.4
76.04423	1.0
83.01235	1.4
83.20075	1.1
85.02793	3.2
89.02305	1.1
93.03313	2.8
95.01212	1.5
101.02322	6.5
107.04848	1.8
108.02068	15.2
109.02855	8.1
121.02804	4.0
121.06432	4.1
122.03587	1.4
125.02284	2.2
133.06407	1.4
135.04387	1.4
137.02315	1.5
147.04372	1.8
149.06020	7.2
151.03835	1.2
152.01054	13.4
153.01762	3.3
159.04359	5.3
161.02316	3.9
162.03033	2.4
167.07030	1.9
168.01842	1.1
169.08574	1.7
173.05893	2.5
174.03139	2.5
175.03899	10.6
176.04697	15.8
177.05482	88.5
178.05830	1.5
203.03432	96.2
204.03706	4.2
220.03706	6.1
221.04503	52.7
222.04672	2.4
245.08246	1.9
261.14847	2.8
305.10138	4.2
305.13788	12.5
323.11301	3.4
347.11191	2.9
348.11420	1.5
365.12100	2.4
405.82455	1.2
407.13248	7.6
467.15292	100.0
468.15775	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	467.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48971	0.5
59.01250	3.7
61.07634	0.6
71.01233	1.2
71.53115	0.6
83.04877	1.4
85.02795	0.6
88.47763	0.5
93.03333	0.9
98.83640	0.5
101.02291	0.7
113.02287	0.6
116.32158	0.5
121.02832	0.7
121.06465	0.9
128.43474	0.5
131.04855	0.8
135.04422	0.8
137.02347	1.0
147.04417	1.3
149.05966	3.1
159.04419	17.9
161.02377	1.0
162.03117	0.7
167.07043	1.1
174.03145	1.3
175.03900	6.1
176.04703	15.6
177.05484	66.2
178.05797	1.9
185.02367	1.1
187.03902	2.3
201.05527	0.6
202.02510	0.7
203.03529	4.6
203.07062	26.9
204.07359	1.2
211.03995	0.7
212.57663	0.5
218.02127	1.8
220.03702	6.8
221.04306	1.1
227.68239	0.6
229.05002	7.1
243.10324	0.9
247.06105	19.1
248.06360	0.8
261.11346	5.2
261.13956	0.7
278.74637	0.7
287.13031	0.6
305.10281	100.0
306.10651	7.1
450.08270	0.6
467.15244	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	466.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.1
59.01252	14.6
61.98686	4.3
63.23277	1.0
67.85103	1.0
69.18460	8.6
69.18867	2.2
71.01255	31.7
71.04890	10.9
71.14200	1.0
72.46866	1.1
73.02803	1.9
77.31921	1.1
83.01253	2.1
85.02819	16.5
87.00770	1.1
88.03910	36.4
89.02316	6.4
99.04412	6.1
101.02332	6.8
101.06006	1.0
103.03893	28.2
113.02332	7.4
116.07028	1.8
119.03384	2.5
120.01098	2.0
124.22350	1.1
131.32341	1.0
138.86345	1.0
146.08125	48.2
161.04483	2.9
165.68245	1.1
200.09178	1.4
218.10274	27.6
219.10580	1.2
247.08186	10.5
260.11282	2.5
265.09250	28.2
319.10336	10.6
359.22110	1.1
406.21576	2.2
407.22821	2.4
448.16461	1.0
466.19247	100.0
467.19943	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	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.98682	1.7
71.01262	12.1
71.52422	2.1
85.02837	5.6
89.01839	1.7
89.02315	8.1
94.81768	1.5
94.86781	1.7
101.02332	5.4
113.02317	4.5
119.03419	3.9
128.93610	1.5
170.41425	1.5
179.05493	3.4
183.60838	1.8
189.55423	2.1
282.13397	1.6
405.21521	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	466.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.3
59.01247	5.3
61.98699	100.0
69.03328	0.5
69.51739	2.4
71.01250	3.7
71.04888	0.4
73.02820	0.4
75.00732	0.3
81.60049	0.4
82.51875	0.4
83.93044	0.4
85.02839	1.3
88.03929	1.2
89.02319	1.6
101.02322	1.1
103.03867	0.9
108.29407	0.3
112.03932	0.3
113.02367	1.0
119.03397	0.6
146.08142	1.6
146.77113	0.3
153.09119	0.4
160.03990	1.0
161.04428	0.5
218.10266	0.9
241.14525	1.3
242.14784	2.5
243.15045	1.5
244.15329	1.2
265.09375	1.2
298.52579	0.4
313.80219	0.4
406.21912	0.6
417.53687	0.4
466.19388	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	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	7.0
59.01247	100.0
61.98701	1.7
71.01250	32.3
71.15295	1.9
72.06400	1.0
72.97374	2.1
72.99169	4.9
73.02798	4.2
83.01226	2.0
85.02817	18.5
87.00723	2.4
89.02311	40.1
95.01279	1.7
99.00713	1.3
99.37231	1.4
101.02312	20.2
111.00739	1.3
113.02301	13.0
118.92966	1.1
119.03384	19.6
129.01799	1.6
131.03384	3.3
143.03389	5.0
147.06067	1.2
149.04424	1.6
149.09627	11.6
153.01904	1.2
161.04442	9.3
167.10664	25.1
178.90260	1.2
179.05521	15.0
191.01952	6.0
194.55194	1.4
209.03023	5.7
225.14911	7.2
243.16008	2.8
405.21234	50.6
406.21500	3.4
447.09195	1.7
465.09402	1.5
465.23566	1.7
466.19376	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	465.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.3
55.38585	0.8
57.03322	1.9
58.00460	3.9
59.01247	100.0
60.01588	1.8
61.98707	1.1
69.30377	2.3
69.30785	6.6
71.01250	55.7
72.99176	11.8
73.02810	2.2
73.38299	0.8
83.01250	4.4
85.02824	11.2
87.00737	2.2
89.02309	41.3
95.01247	3.2
99.00731	1.2
101.02320	36.1
102.21385	0.8
107.01273	2.2
113.02325	16.1
119.03379	17.4
119.04862	5.5
120.32630	0.8
121.02826	3.8
127.56944	0.9
131.03462	0.9
148.05312	0.9
149.04466	1.0
151.00270	2.9
152.91347	1.0
173.09633	1.6
179.05685	0.8
189.23999	0.9
241.08704	1.1
241.15916	19.3
242.16345	1.1
243.10107	2.7
257.15454	1.0
259.16953	4.5
271.05975	1.6
285.14944	35.3
285.18149	1.8
286.15381	2.6
303.16046	7.4
318.22141	0.9
353.10376	1.2
451.13062	2.8
457.12979	3.2
465.15234	1.6
465.21301	26.0
466.21631	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1051
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
55.01756	1.0
57.03323	1.7
58.00446	0.4
59.01246	17.7
60.01596	0.9
61.98669	0.6
65.00186	0.4
65.03827	0.4
67.01745	1.2
68.99683	0.8
69.03317	1.3
71.01248	14.6
71.52613	0.5
72.01579	1.3
72.99196	0.7
73.02812	4.0
75.00746	1.5
79.01730	0.4
81.03333	2.5
83.01256	2.4
85.02820	7.3
87.00746	1.0
89.02320	5.6
90.02660	0.7
91.01761	2.0
93.03329	1.4
95.01266	4.2
96.99178	0.6
97.02816	1.0
98.69504	0.3
99.00751	2.0
101.02319	7.6
102.02672	0.8
103.03882	1.5
107.01263	1.6
107.04867	0.4
108.02049	82.7
109.02841	41.7
110.03144	1.1
111.00747	2.1
113.02328	5.6
114.02689	0.5
119.03397	1.5
119.04926	0.4
121.02808	0.8
122.03605	0.4
123.00761	4.8
123.04395	7.5
124.01554	1.3
124.04585	0.4
125.02341	3.7
131.03346	0.4
133.02792	0.4
135.00761	3.3
137.02318	1.2
137.09552	0.4
139.00247	0.5
143.03365	0.5
149.04456	1.0
151.00299	3.4
151.03885	1.4
152.01051	81.5
153.01834	39.5
154.02155	1.0
154.08473	0.4
155.10657	1.1
161.04440	2.8
162.04701	0.6
163.03908	1.4
163.07475	0.5
163.62950	0.4
165.01836	1.1
166.02602	1.1
166.99731	1.0
167.03406	14.6
168.03787	0.4
171.77898	0.3
177.01881	0.6
177.98972	0.4
178.99805	0.5
179.03351	0.4
179.05659	0.3
181.05043	0.8
195.02896	1.3
199.09726	1.4
207.02950	0.8
217.10741	2.1
225.03954	0.6
239.05588	0.4
243.15854	0.6
265.09073	0.7
281.06784	0.6
296.05310	1.4
297.06119	8.2
311.07733	4.3
315.07217	4.7
316.07529	0.5
331.17465	0.5
332.18027	1.4
333.18234	1.0
345.05695	0.4
358.16925	0.4
392.78751	0.4
405.21304	0.9
421.11362	6.4
433.07608	4.2
434.08353	0.4
464.22015	3.3
465.10330	100.0
465.19913	6.6
466.10635	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.7
57.03319	1.9
57.29220	0.3
58.00460	0.8
59.01247	100.0
60.01581	0.8
65.82461	0.3
69.03332	0.4
71.01248	25.2
72.01611	0.3
72.99191	1.2
73.02816	9.1
75.00749	0.7
83.01250	4.6
85.02816	12.4
86.97771	0.2
87.00767	1.2
89.02310	5.8
95.01264	1.8
97.02835	0.9
99.00750	4.2
101.02317	16.9
102.02675	0.3
103.03925	0.3
109.02818	0.3
111.00771	1.5
113.02322	10.7
119.03407	0.5
119.04949	0.4
120.26317	0.3
122.37124	0.3
124.01601	0.6
124.45634	0.3
125.02344	0.9
131.03429	1.9
139.03883	1.3
143.03418	1.1
152.05074	0.3
159.02893	1.6
161.04465	5.9
165.12773	0.3
183.13817	4.0
187.07610	0.3
191.05693	0.3
215.07220	0.4
231.10399	0.4
253.09189	0.3
256.43146	0.3
259.06165	1.1
269.04572	0.3
271.15543	0.7
289.16547	30.5
290.16873	2.1
300.02991	0.4
331.17566	2.8
421.20740	19.4
422.21259	1.7
463.08414	0.4
463.21808	7.7
463.27930	0.4
464.22360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.9
59.01241	2.8
61.98687	0.8
78.95763	6.9
83.89568	0.4
89.46421	0.4
92.04935	0.6
94.53979	0.5
96.95930	0.5
98.19748	0.9
110.98402	4.8
111.64108	0.4
113.09578	2.3
167.01064	1.8
171.10167	0.9
178.16260	0.4
178.22981	0.4
179.14284	0.8
185.02124	6.2
187.60854	0.5
195.13829	15.1
196.14102	1.3
209.11662	0.6
222.04262	0.4
224.12112	0.4
227.02107	0.6
228.02942	0.9
251.23677	0.5
255.01701	2.3
256.02478	1.4
257.03278	2.0
259.20471	0.6
270.04019	4.8
270.60486	0.4
271.02402	0.6
271.04855	3.4
272.05576	2.3
277.21716	14.6
278.21860	0.5
282.04077	1.3
293.21259	0.6
294.21606	0.4
295.22754	100.0
296.23053	7.3
300.02859	0.5
301.03253	0.9
322.07242	1.6
371.93585	3.1
411.96790	4.7
425.98294	0.7
426.99100	0.6
462.96805	8.5
463.18121	0.9
463.24625	16.2
463.97214	1.0
464.13461	0.9
464.25058	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01755	4.3
56.34643	0.7
57.03310	2.9
58.00460	1.3
59.01248	78.3
69.03326	2.1
69.72829	5.2
71.01249	68.0
72.99173	3.3
73.02817	24.4
75.00744	3.7
83.01254	7.7
84.59856	0.9
85.02818	26.1
87.00751	2.9
88.45840	0.9
89.02313	39.7
95.01258	4.3
97.02841	3.1
97.06380	1.0
99.00747	17.1
101.02320	45.0
103.03876	1.6
107.04913	1.9
113.02320	26.2
115.03859	2.2
119.03394	9.2
119.04904	1.1
125.02333	7.2
131.03394	6.4
137.02341	1.0
137.06000	1.2
143.03432	4.6
149.04460	12.1
151.00380	0.9
159.02878	4.7
161.04462	30.8
163.03902	1.7
163.07628	1.1
179.05525	2.0
181.04994	5.5
181.23615	1.0
183.10219	0.8
191.05554	3.3
203.42349	1.0
233.06642	3.9
238.86577	0.8
241.14490	1.6
265.09302	1.1
271.02304	1.0
293.08789	1.7
301.07153	1.0
316.02249	2.0
318.22772	0.8
323.82550	1.0
331.17593	28.6
332.17902	2.1
403.19626	1.3
463.08578	3.1
463.21918	100.0
464.17346	1.0
464.22290	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.2
55.03831	0.4
57.03087	0.6
57.03325	6.5
58.00462	0.9
59.01247	29.9
60.01584	0.5
61.21671	0.4
62.91543	0.4
66.90485	0.4
69.03321	25.4
71.01253	16.2
71.07922	1.0
71.88399	0.4
73.02814	4.4
75.00714	0.4
83.01249	0.9
85.02814	7.4
87.00752	0.5
87.04387	5.0
89.02306	4.0
95.01234	0.7
97.02814	1.5
99.00739	1.1
101.02322	6.0
106.33755	0.4
109.06489	0.8
111.04407	0.8
113.02321	4.1
114.58668	0.5
119.03388	0.9
135.08034	0.4
137.05934	0.4
137.09532	0.5
138.05719	0.7
138.06760	11.0
139.07089	0.6
151.00267	0.5
151.11246	0.6
152.08281	0.5
153.09116	33.3
154.09465	1.5
155.10722	0.5
159.02867	0.6
161.04463	4.2
163.11179	1.3
177.99556	0.4
178.39909	0.4
183.13757	0.6
190.09969	0.5
205.12256	2.0
211.13214	0.9
223.13353	1.8
241.14417	100.0
242.14746	5.1
301.09979	0.5
302.87790	0.4
403.19772	2.4
442.02853	0.5
446.17053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07078	0.3
59.01247	100.0
59.95252	0.3
60.01584	1.0
71.01254	1.0
78.77705	0.3
80.87326	0.3
82.57952	0.4
84.01567	0.3
85.02811	0.8
91.03889	0.3
95.57488	0.4
101.02361	1.0
121.02904	0.4
171.10260	1.0
187.97025	0.4
209.11798	0.4
227.12883	0.4
271.02661	0.4
300.02866	0.5
329.23297	2.2
358.17545	0.4
442.69977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0881
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.65328	0.3
59.01252	4.7
61.98697	0.3
63.02277	0.5
63.17082	0.3
65.00195	1.6
69.44054	0.9
69.44472	2.1
71.01245	1.8
73.02805	0.5
83.01250	1.3
85.02821	0.6
89.02316	0.6
93.03336	0.9
101.02354	0.9
107.01265	2.7
108.02065	1.4
109.02847	1.7
111.00732	0.4
113.02332	0.9
116.21913	0.4
121.02811	2.3
124.01553	0.6
135.00754	1.4
137.02341	0.6
137.05980	0.6
141.09148	0.4
148.01570	1.4
151.00256	13.9
163.00261	2.7
164.01056	1.1
167.03442	0.5
167.04980	0.4
169.01273	0.5
175.03902	0.5
178.99774	6.3
183.10155	0.5
188.04576	0.4
190.02637	0.4
193.01315	0.5
198.03096	0.6
199.03848	1.1
201.01892	0.4
203.03383	0.7
211.03925	1.4
213.01816	0.4
215.03380	0.8
216.04163	0.6
226.02681	2.2
227.03441	3.9
229.04878	0.9
241.14316	0.4
243.02951	12.7
244.03162	0.9
245.04480	1.3
254.02203	2.2
255.02946	26.9
256.03351	1.7
271.02454	65.6
272.02945	4.9
273.03955	1.4
283.02487	1.4
299.01996	1.8
300.02719	100.0
301.03470	61.4
302.03833	3.6
323.65311	0.4
343.04807	0.4
369.38028	0.4
463.08765	86.0
464.09109	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43943	0.4
57.03316	0.5
59.01250	12.8
65.00184	2.6
67.01736	0.5
68.99688	0.5
69.23863	2.3
69.24287	2.1
71.01258	4.0
72.99165	0.9
73.02810	2.5
83.01257	1.6
84.58785	0.4
85.02808	2.1
87.00766	1.0
89.02304	2.7
93.03328	4.2
95.01265	2.8
99.00743	1.5
101.02319	2.6
102.98443	0.8
103.03893	0.6
106.66463	0.4
107.01263	1.9
108.02036	1.4
109.02856	2.5
109.99959	1.4
110.89216	0.4
111.00764	2.3
113.02341	1.6
117.03338	1.2
117.64131	0.4
119.01331	0.7
119.03382	0.6
119.04885	0.8
121.02838	1.0
123.00760	2.9
123.04435	0.6
124.01518	0.9
125.02328	1.9
129.88197	0.4
130.72461	0.5
132.02083	0.8
133.02904	0.5
135.00737	1.5
135.04442	1.0
136.98674	2.0
137.02327	1.3
139.00273	1.8
145.02827	0.6
149.02318	1.1
151.00291	4.7
152.01068	3.6
153.01852	2.5
153.09181	0.5
154.04153	0.6
155.04956	0.6
159.04471	0.7
160.03876	0.5
161.02371	0.5
161.04512	0.8
161.05913	0.5
163.00269	2.7
165.01868	0.4
165.98961	1.0
166.99747	2.0
169.01366	0.5
171.04411	1.9
178.99748	3.6
181.01337	0.9
183.04480	2.1
185.06015	1.0
187.03899	1.9
197.11757	1.4
198.03157	1.2
199.03888	2.9
199.13292	0.5
200.04700	1.4
201.05443	1.3
203.03474	0.5
209.11758	4.3
211.04010	2.2
213.05492	0.8
215.03465	2.9
215.12762	0.5
216.04193	0.8
226.02608	1.4
227.03436	10.5
227.12932	1.1
228.04082	1.4
229.05020	1.3
231.03018	0.6
239.03471	1.2
241.14484	0.7
243.02957	13.0
244.03499	2.1
245.04562	0.9
253.09242	0.6
254.02115	1.3
255.02966	31.2
256.03473	3.8
256.25674	0.5
257.04565	9.8
258.05176	0.5
259.02606	0.7
271.02484	31.3
272.03171	13.1
273.03870	2.4
282.01706	0.7
283.02481	8.6
284.03036	0.8
285.03876	1.1
295.08099	0.8
300.02725	34.9
301.03491	24.8
302.03848	1.9
343.06851	2.8
419.09793	1.1
419.19113	1.0
435.09259	0.6
445.07416	1.0
445.20724	0.9
463.08810	100.0
463.21808	5.3
464.09100	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	461.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25677	1.5
57.03300	1.9
59.01250	100.0
60.01583	3.4
61.01667	5.0
71.01257	15.8
72.99189	3.2
73.02812	7.0
75.00719	2.5
83.01235	4.3
85.02332	1.4
85.02798	9.0
87.00726	3.0
89.02316	6.3
93.03335	2.6
100.01360	1.7
101.02328	12.2
103.03909	2.6
105.39216	1.6
105.57523	1.6
111.00760	2.1
113.02323	7.3
114.97575	1.7
119.03362	2.3
119.04935	2.9
133.56020	2.0
135.04414	2.3
152.01076	1.8
160.03963	2.1
161.04517	2.7
161.05875	1.6
163.03944	2.0
177.30806	1.7
183.01083	2.0
225.11230	2.1
239.10587	2.1
257.17441	2.1
284.01904	2.3
372.17383	2.0
401.21365	2.4
419.26077	2.5
461.11975	2.6
461.18552	17.0
461.24387	2.4
462.10205	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	461.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39628	0.5
57.03316	3.4
59.01246	3.0
61.98690	1.4
65.29655	0.5
69.27669	4.5
75.96879	0.5
78.95781	7.0
82.28004	0.5
83.50797	0.4
85.06512	0.5
86.03371	0.4
92.04922	0.6
108.40047	0.5
109.06474	1.1
110.98429	5.5
113.09602	13.7
121.10117	2.1
122.52323	0.5
139.11186	1.5
145.78276	0.5
146.02435	1.0
150.59938	0.5
167.00996	2.5
167.10677	1.3
171.10173	6.8
177.12704	0.8
179.10692	1.3
183.13844	1.5
185.02112	5.9
195.13846	2.3
207.10222	2.0
225.11319	1.5
231.21161	0.6
244.67642	0.6
249.22209	1.5
275.20145	11.2
285.03952	1.0
293.21204	100.0
294.21524	7.2
461.23233	13.0
461.29202	0.9
462.23605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19021	0.4
56.93661	0.4
57.03312	0.6
59.01244	2.7
61.98700	7.9
69.39001	4.6
78.95769	8.3
86.40972	0.5
89.56062	0.5
92.04940	0.7
109.06474	1.8
110.03706	0.6
110.98409	7.4
111.08032	0.6
136.03883	1.1
140.34161	0.5
152.99492	1.1
163.11185	1.0
167.01044	2.3
171.10234	1.0
179.14299	1.5
185.02113	7.5
195.13840	9.0
207.10191	3.7
211.13313	0.8
223.13316	7.3
225.11266	2.6
228.13486	0.7
231.21167	0.6
253.09193	0.6
256.13159	1.6
275.20135	5.3
285.03815	0.8
293.21201	100.0
294.21564	7.5
461.23209	17.0
462.23340	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	461.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98135	0.3
57.03316	4.7
58.00468	2.3
59.00956	0.7
59.01248	12.5
69.03310	0.4
71.01250	7.6
71.09964	0.6
71.10271	0.4
72.99171	0.5
73.02821	5.5
83.01241	0.7
85.02817	21.2
87.00739	1.0
89.02310	1.9
97.02830	0.5
97.06438	0.4
99.04418	0.5
101.02335	2.4
101.05949	0.4
103.03886	33.5
104.04208	0.7
113.02327	1.6
117.05457	0.8
119.03429	0.6
125.02307	0.4
125.05988	0.9
139.07564	0.6
145.04984	0.8
149.51280	0.4
157.04985	0.5
163.14775	0.4
167.14305	1.9
174.25388	0.4
179.14316	1.2
183.13821	5.4
191.14313	2.0
195.13840	6.4
196.14111	0.5
197.15427	2.8
207.13788	0.6
209.15405	4.2
213.14900	31.3
214.15280	1.8
223.16936	0.4
227.16461	9.6
228.16783	0.5
237.14902	5.8
247.08136	0.9
249.14909	0.4
255.15965	6.2
256.16455	0.4
265.09271	4.3
300.10822	0.4
310.72037	0.4
461.23901	100.0
462.24252	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	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60371	0.4
57.03299	0.4
59.01249	100.0
60.01588	1.2
61.98714	0.6
68.53662	0.4
69.41994	2.2
69.42422	1.4
71.01257	4.5
73.02818	3.3
83.01266	1.3
83.28543	0.5
83.54494	0.5
85.02812	1.1
87.00738	0.4
87.72557	0.4
89.02302	1.1
97.06468	0.9
101.02322	3.7
111.00771	0.5
113.02331	1.8
119.03370	0.6
147.17839	0.4
153.12737	11.4
153.13873	0.8
154.13190	0.6
161.04506	0.5
179.10660	3.8
181.12379	0.5
197.11758	24.0
198.12143	1.8
211.13533	0.5
255.02972	1.0
257.65060	0.6
283.02487	0.5
327.21988	1.5
334.60260	0.4
346.39615	0.5
461.24445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.2
59.01244	15.5
60.20426	0.6
60.84236	0.6
60.84598	0.6
61.98704	3.6
67.37221	0.6
67.94077	0.7
69.38151	5.6
69.38580	1.5
71.01244	1.0
71.04888	3.4
75.04291	0.7
78.95774	10.5
88.48063	0.6
89.27673	0.7
96.95921	1.3
97.06470	0.9
109.06469	1.1
110.98416	9.3
113.09605	3.9
121.10085	0.9
136.03970	1.2
146.02357	1.3
167.01033	2.4
171.10193	1.9
179.10686	0.8
185.02153	7.8
195.13786	0.8
198.09166	3.0
205.15933	1.1
207.10196	2.7
221.15363	1.0
223.16965	3.0
225.11218	1.2
231.21169	1.2
235.16986	19.8
236.17265	1.3
275.20154	27.6
276.20547	1.9
285.03989	1.5
291.19562	1.7
293.21216	100.0
294.21591	8.5
387.25208	1.1
461.17242	1.1
461.23233	13.6
461.28992	1.7
462.23636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01589	1.1
69.30331	3.3
71.01249	3.8
73.02810	3.1
79.95617	0.4
83.01265	1.0
83.20641	0.4
85.02837	1.1
87.00735	0.5
89.02331	1.3
96.95898	0.4
97.06481	1.5
101.02332	3.4
113.01627	0.4
113.02345	1.7
116.04643	0.4
119.90307	0.4
122.44318	0.4
143.03424	0.6
153.12750	12.7
161.04396	0.8
171.10219	0.4
179.10690	3.4
197.11765	23.3
198.12184	1.2
255.03043	0.6
283.02505	1.1
283.64105	0.4
298.04849	0.6
299.05750	0.7
327.21793	0.7
461.25397	0.6
461.31384	0.5
471.68979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.6
58.00470	1.8
59.01248	58.9
69.03325	3.0
69.66452	8.9
71.01256	28.9
72.99175	3.2
73.02811	5.7
75.00744	5.9
78.04497	1.6
81.92490	1.5
83.01254	2.6
85.02814	8.3
87.00733	4.5
88.17519	1.7
89.02309	24.7
90.31374	1.4
93.03326	5.1
95.01242	4.8
97.02827	5.8
98.19844	2.1
101.02319	12.0
113.02356	9.8
113.05855	1.7
117.08909	1.6
119.03388	6.8
121.02836	6.9
123.04404	14.6
129.78444	1.6
137.02330	5.4
137.05988	3.1
161.04469	2.4
167.03391	2.8
179.05571	4.0
179.10693	1.9
180.06589	2.8
203.10667	2.5
209.04489	2.4
221.11780	100.0
222.12128	5.5
230.81212	1.7
236.69380	1.8
239.12785	3.7
281.06726	3.1
383.17154	3.2
392.01187	1.8
401.18130	11.9
461.13049	6.7
462.13779	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	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.1
57.03308	3.8
58.00454	2.3
59.01250	79.6
60.01572	1.1
67.13233	0.9
69.03335	6.2
71.01251	26.5
71.04878	2.5
71.53353	1.2
72.99158	2.2
73.02457	0.9
73.02814	7.3
75.00742	2.4
83.01249	3.4
83.04889	1.2
85.02812	8.1
86.03619	1.5
87.00733	3.7
87.04385	1.2
89.02322	8.4
90.98438	2.4
93.06936	4.8
95.01212	1.0
97.02800	1.6
99.00750	2.8
101.02313	9.6
102.98456	1.2
103.03893	2.2
103.51331	0.9
109.06464	5.5
111.00716	1.8
111.08026	3.1
113.02337	5.8
119.03374	1.5
119.04882	2.4
121.02787	1.2
122.06741	1.0
123.07992	3.6
125.02316	1.4
125.05946	2.0
127.06609	1.5
127.07529	19.0
129.01871	1.1
133.04910	2.0
133.10068	0.9
137.02303	1.1
137.05980	13.8
139.11194	6.3
140.43320	0.9
141.09079	0.9
143.03363	1.1
145.02777	1.1
149.04424	1.2
151.11093	1.0
153.09048	0.9
153.25922	1.0
155.07043	12.7
160.03949	10.8
161.04457	1.2
165.09081	2.9
183.08664	1.8
183.10184	23.8
197.11768	14.1
207.10135	3.6
225.11275	30.3
226.11473	0.9
230.05911	0.9
255.02826	3.1
269.04401	1.9
272.27890	1.0
281.17453	1.0
283.02371	2.1
284.03134	4.0
297.04059	1.3
298.04895	1.2
299.05417	2.6
378.03827	0.9
419.22537	1.3
461.10019	2.7
461.20090	100.0
462.20438	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	460.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97992	0.4
58.32644	0.4
59.01249	28.3
60.01580	1.6
61.98698	1.1
69.51196	2.9
71.01263	4.0
71.25742	0.3
72.01592	0.4
73.02809	1.5
83.01257	0.9
85.02816	2.4
89.02311	2.8
94.04410	0.4
98.19884	0.5
101.02314	3.1
102.02586	0.5
103.03886	0.4
103.77763	0.4
113.02336	1.9
119.03377	0.7
119.21330	0.5
120.12182	0.4
135.00815	0.4
151.00264	0.5
154.41602	0.4
161.04509	0.8
168.04451	0.4
212.03499	5.1
226.05080	1.1
240.02983	89.0
241.03748	86.1
241.06381	1.0
242.04094	4.5
254.04544	1.3
255.02614	0.8
255.05328	15.9
256.06119	100.0
257.06424	6.8
269.04471	0.5
357.75357	0.4
400.10342	1.7
400.24207	1.3
418.11783	0.6
418.25235	1.5
460.12479	48.0
460.55469	0.4
461.12799	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	460.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43466	0.2
59.01231	0.2
60.33094	0.2
61.98700	100.0
69.81267	0.9
93.14782	0.2
160.00789	0.2
189.31781	0.2
198.09366	0.2
199.09578	0.3
285.00681	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	9.8
68.24628	0.4
69.29048	3.7
71.01253	2.0
73.02823	0.8
85.02811	0.9
87.00772	0.5
89.02287	0.9
100.50110	0.4
101.02328	1.2
103.03915	0.5
113.02353	0.8
117.03349	1.6
121.02831	0.7
151.00284	0.9
161.02315	2.0
161.04518	0.4
163.00276	1.7
183.04381	0.5
255.02956	87.6
256.03384	5.7
268.03757	1.5
269.04486	4.8
281.04547	8.6
282.04865	0.9
283.02466	66.5
284.03146	13.3
285.03983	3.1
297.04025	12.8
298.04779	16.1
299.05545	9.6
300.06058	0.6
313.03589	4.0
327.05017	0.7
408.44263	0.5
446.08511	19.5
447.08847	2.1
461.10867	100.0
462.11337	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	460.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03350	0.4
59.01247	41.5
60.01583	1.9
61.01666	0.5
61.98713	0.6
71.01251	6.0
72.01614	0.4
72.77882	0.3
72.99158	0.5
73.02826	2.3
73.03176	0.3
83.01266	0.9
85.02821	1.5
87.00764	0.3
89.02322	1.5
93.03372	0.6
101.02327	3.2
103.03914	0.8
107.04907	0.3
111.00776	0.4
113.02343	2.3
114.02640	0.3
119.03384	0.6
119.04921	1.1
121.02816	0.3
127.65343	0.3
137.02295	0.7
143.03409	0.5
145.02826	0.3
149.05978	0.4
151.00261	0.5
152.07036	0.5
160.03938	0.3
161.04459	1.1
188.07143	0.6
212.03407	2.8
225.14833	0.3
238.08737	0.5
238.15341	0.3
240.02980	36.6
241.03752	100.0
242.04088	4.8
253.03807	0.4
254.04491	0.5
255.05345	1.4
256.06113	89.1
257.06418	5.7
265.09158	0.3
268.03946	0.3
269.04449	1.1
270.04514	0.4
283.02533	0.4
295.10757	0.6
307.10831	0.3
340.68549	0.3
344.21524	0.4
399.23822	0.6
400.10373	0.5
400.24271	0.6
418.11295	0.9
460.12399	16.4
460.22455	1.6
461.12222	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.7
57.03331	1.6
58.00470	0.4
59.01249	100.0
60.01591	1.2
61.01675	0.3
64.19926	0.2
69.03326	0.3
69.26459	0.4
69.26870	1.9
71.01253	11.2
72.99196	0.7
73.02814	2.5
75.00768	0.7
81.42805	0.3
83.01255	1.9
85.02820	8.6
87.00748	1.2
88.88113	0.2
89.02314	5.5
91.60939	0.2
95.01275	1.4
97.02866	0.6
99.00769	1.0
101.02322	6.2
102.98476	1.9
103.03908	0.6
108.02082	0.6
109.02871	0.5
111.00788	1.1
113.02329	10.3
119.03394	1.7
119.04955	0.9
119.63151	0.2
121.02833	1.5
129.01842	1.3
131.03389	0.4
135.04514	0.3
139.77582	0.2
143.03445	0.8
146.56161	0.3
150.97520	0.2
151.00301	0.6
152.01106	0.7
153.01474	0.3
153.09196	0.4
159.02861	0.3
161.04442	2.3
162.05666	0.2
163.03926	1.0
164.07191	0.2
173.00955	0.3
238.40732	0.2
239.12978	0.4
284.03314	0.3
285.04062	0.5
297.12650	0.5
329.09033	0.5
397.48639	0.3
399.23892	10.3
400.24417	1.1
417.25003	6.7
418.25815	0.5
459.11465	1.3
459.17789	0.5
459.26035	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2903
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
57.84580	1.3
70.26514	2.8
70.26904	3.7
85.31352	1.3
85.91666	1.2
92.56052	1.2
106.94200	1.2
107.04903	29.5
110.85651	1.4
129.02415	1.3
129.67992	1.4
163.11189	100.0
164.11531	4.0
192.48795	1.4
283.17020	30.0
284.17545	1.6
295.16998	15.8
393.63718	1.5
436.87234	1.6
459.28970	79.6
459.38409	27.6
460.29242	9.7
460.38647	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	459.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.3
59.01249	100.0
60.01583	0.8
71.01251	3.0
73.02824	0.9
75.00729	0.4
83.01262	0.6
85.02808	1.7
87.00723	0.4
89.02337	0.5
93.03343	0.4
101.02345	1.3
111.00775	0.3
113.02364	1.1
121.02867	0.3
143.03448	0.3
161.04477	1.0
165.09204	1.1
194.58037	0.3
211.07701	0.5
221.04497	0.5
283.02570	0.3
339.14337	0.3
357.15451	1.4
399.16574	1.6
459.19308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.7
57.03326	0.7
58.97816	0.4
59.01247	100.0
60.01578	2.5
60.25231	0.4
61.01670	1.1
64.77066	0.4
65.28234	0.4
69.03338	0.4
71.01254	11.6
71.14392	0.4
72.99177	0.8
73.02816	7.5
83.01256	3.3
85.02812	4.3
87.00758	0.9
87.04433	0.5
89.02302	4.8
95.01274	0.9
97.02844	0.5
99.00758	1.1
101.02314	10.0
106.15592	0.5
113.02323	7.5
119.03403	1.8
119.04929	0.9
121.02856	1.7
125.02380	0.8
131.03429	0.4
143.03343	0.9
151.00278	0.6
161.04449	3.4
163.07578	0.8
175.14854	1.5
177.09154	0.7
179.05563	0.8
226.06374	0.5
237.14915	0.9
255.12361	1.0
256.06198	1.2
269.04520	1.1
332.00571	0.4
373.18439	0.5
399.23798	4.2
415.19717	2.0
417.25034	3.9
454.90726	0.4
459.22598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.4
57.03316	0.7
58.00466	0.5
59.01249	100.0
60.01592	1.0
61.40796	0.2
62.58091	0.2
68.99646	0.2
69.03323	0.3
70.81648	0.5
71.01250	13.7
72.01620	0.2
72.99166	0.9
73.02814	5.6
75.00751	0.6
81.03317	0.4
83.01249	2.3
84.02042	0.2
85.02819	5.7
87.00746	1.0
87.04387	0.2
89.01758	0.4
89.02314	8.3
90.02670	0.2
93.03323	0.4
95.01259	1.1
97.02850	0.4
97.06487	0.2
99.00758	1.1
99.04402	0.2
101.02317	9.2
103.03887	0.3
107.04919	0.2
107.99632	0.2
108.02048	0.2
108.80572	0.1
111.00781	0.5
111.04391	0.3
112.01336	0.2
113.02324	7.7
115.03938	0.2
119.03394	2.6
119.04921	0.5
121.02840	1.8
122.03437	0.1
123.04391	0.4
123.08125	0.2
124.01573	0.2
125.02348	0.8
129.01859	0.3
131.03387	0.5
139.00261	0.2
141.70126	0.2
143.03378	0.9
143.05069	0.2
149.02411	0.5
149.04440	0.4
151.00282	0.3
151.03882	0.2
156.84134	0.2
159.02922	0.4
161.04462	3.8
163.03946	0.3
164.04631	0.2
165.05421	0.2
167.03502	0.4
168.00606	0.4
169.04913	0.2
169.12332	0.3
173.00908	0.2
175.00221	0.2
179.05554	0.6
190.02657	0.4
191.03239	0.3
192.03572	0.2
205.05078	0.4
206.05576	0.2
207.05621	0.3
211.07622	0.5
223.06075	0.3
251.07729	0.7
252.08122	0.6
253.07071	1.8
255.03055	0.3
255.12575	0.2
255.19643	1.4
265.09055	0.5
283.02542	0.3
283.08282	0.5
285.04126	0.6
399.23996	2.7
400.24615	0.2
417.24921	9.4
418.25131	0.9
447.09576	0.3
459.13803	1.4
459.20056	0.2
459.26648	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.7
57.84339	0.6
59.01247	100.0
60.01588	0.7
66.45870	0.5
66.75672	0.5
71.01246	4.9
71.53097	1.0
72.99182	0.7
73.02829	2.3
83.01270	1.6
85.02828	2.1
87.00755	1.3
89.02329	2.4
94.76173	0.5
99.00776	0.7
101.02308	4.6
109.02910	0.5
113.02323	2.1
119.03377	1.0
121.02829	8.8
135.04385	2.6
161.04489	2.4
169.63068	0.5
175.53987	0.5
177.09149	0.9
178.41263	0.6
191.03343	0.8
211.06093	2.0
238.08745	1.2
254.31560	0.5
339.14758	0.6
357.15646	0.7
399.16202	3.2
441.13828	1.5
453.60962	0.6
459.14352	5.3
460.15363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32468	0.3
54.00837	0.3
56.06976	0.3
59.01247	100.0
60.01580	1.1
66.50817	0.3
69.19283	1.1
69.19704	2.0
71.01247	3.2
73.02824	1.4
77.97698	0.3
83.01266	0.5
85.02837	1.2
87.00764	0.6
89.02306	2.0
93.03373	0.4
97.28400	0.3
101.02332	2.2
101.38352	0.3
112.43513	0.3
113.02328	1.6
119.03394	0.8
119.04916	0.3
121.02881	0.4
127.01286	0.3
161.04477	1.4
173.45010	0.3
195.10219	1.0
288.76843	0.3
305.61047	0.3
310.45056	0.3
339.14542	1.4
357.15536	2.7
399.16565	4.3
459.18747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84789	2.9
52.44436	3.2
52.74859	2.8
59.01247	52.0
66.47845	3.9
67.42899	3.1
69.69439	18.5
71.01247	38.5
72.99191	3.0
73.02818	53.6
85.02852	7.4
87.00774	3.5
89.02312	55.5
96.95839	3.9
99.03995	2.8
101.02323	20.6
110.13197	3.1
111.50014	2.8
113.02335	14.4
116.92740	15.2
117.01814	33.3
118.04973	5.3
119.03396	26.2
119.04843	3.6
131.03400	6.6
143.03400	9.6
149.04462	3.9
161.04425	12.1
179.05525	45.4
204.19991	3.0
225.53662	3.3
232.38998	3.2
341.10837	100.0
342.11249	5.9
373.18652	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	459.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68285	0.7
57.03325	7.3
57.34987	0.7
58.00459	1.8
59.01250	100.0
60.01591	6.7
61.01669	3.8
69.03316	1.0
71.01250	23.5
72.01582	0.9
72.99174	2.5
73.02812	9.4
74.03136	1.5
75.00759	1.0
75.03240	0.9
81.03331	1.2
83.01246	3.6
85.02818	36.1
86.03193	1.0
87.00735	2.0
88.98682	1.6
89.02332	5.7
95.01252	1.9
97.02832	2.3
99.00764	2.1
101.02323	11.1
102.02667	1.2
103.03890	40.3
109.99969	1.8
111.00764	1.5
113.02325	7.9
114.02699	1.0
119.03397	1.9
119.04894	1.0
121.02871	2.0
123.04363	1.3
125.02341	1.9
125.99458	3.2
129.01807	2.2
130.90302	1.0
137.02333	5.9
137.99495	3.3
138.03105	1.9
140.01056	1.1
145.04893	1.7
149.05936	1.2
153.01825	7.3
153.05478	50.1
153.98979	2.5
155.03395	1.2
157.04993	1.9
161.04486	2.1
167.07040	1.0
168.04135	1.5
169.01357	1.6
180.00499	0.9
191.01927	1.9
194.95018	0.9
195.02904	8.2
196.03674	3.7
197.04474	3.1
209.04498	13.9
210.05211	10.0
211.06055	82.4
212.06393	2.4
225.07622	30.6
226.07993	1.8
229.55721	1.0
247.08221	2.5
253.07184	5.9
255.10263	1.9
268.03671	1.3
313.05737	2.2
399.23898	0.9
459.15036	77.4
460.15463	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	459.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13625	1.1
57.03288	3.1
59.01249	21.7
65.29826	1.0
66.27188	1.3
68.54044	0.9
69.03318	1.5
70.02444	4.2
71.01254	9.9
72.99159	1.4
73.02840	4.8
75.00742	1.4
75.55968	0.9
81.03311	1.3
83.01237	2.3
85.02818	19.4
87.00745	17.3
89.02306	3.1
93.03316	3.0
95.01257	6.0
97.02795	1.0
99.00755	2.0
101.02327	6.7
103.03870	2.1
108.02048	100.0
109.02838	61.5
110.03181	1.2
111.00755	15.4
113.02308	2.9
121.02803	2.6
123.00755	3.5
125.02279	2.4
129.01799	2.9
133.02864	1.3
134.03593	1.5
135.00745	4.4
135.04388	2.3
135.68054	0.9
136.01595	1.2
141.01877	1.0
143.03447	1.1
149.05821	0.9
151.03918	2.2
152.01050	92.1
153.01843	33.1
160.01553	2.9
161.04411	2.8
163.03850	1.7
165.01804	2.8
167.03387	14.9
175.03862	3.3
182.08060	1.3
193.04904	1.4
195.04971	1.1
213.08963	1.2
237.11290	1.1
240.15938	3.0
265.09149	1.7
283.18054	1.1
297.06216	1.8
307.10229	2.0
315.07187	9.7
329.08710	3.6
341.85220	1.2
357.08252	31.7
358.08469	2.8
385.01627	1.0
400.19592	1.3
418.20859	8.2
441.09674	7.0
459.11288	86.1
460.11713	9.6
460.21750	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	457.3684
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
51.78491	0.2
69.68856	0.9
86.05939	0.2
325.20059	0.2
361.81912	0.2
413.15720	0.2
442.14185	0.2
457.36859	100.0
458.37192	11.8
458.43796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.6
60.54905	2.0
70.67505	7.0
71.01254	3.4
73.74864	2.1
85.02817	5.4
88.03911	12.8
95.13091	2.3
98.94493	2.4
108.02039	34.7
109.02844	23.0
112.03934	3.9
123.00758	2.7
130.04996	10.4
131.70963	2.2
152.01047	48.8
153.01820	27.2
165.01860	2.2
242.60323	2.4
251.09163	2.6
276.75223	2.3
297.05975	5.3
315.07166	19.0
324.91486	2.4
428.11957	26.1
429.12427	2.6
458.13028	100.0
459.13388	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	458.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94555	0.4
56.41574	0.6
57.03318	0.7
59.01244	3.4
71.01250	2.2
72.99190	0.5
74.02347	0.8
85.02814	1.6
87.00775	0.7
87.49984	0.5
89.02319	1.4
101.02315	1.6
103.03863	4.1
104.04218	0.9
104.04935	15.5
108.02084	0.5
113.02334	1.1
120.04424	1.6
121.02820	0.8
122.05970	0.6
125.02356	0.7
148.03938	42.7
149.04289	1.2
150.05479	0.5
153.01900	0.9
157.57732	0.4
166.05000	100.0
167.05341	3.1
192.02924	6.4
206.04518	1.9
210.04012	73.6
211.04298	3.2
224.05605	4.3
247.08206	1.6
252.05128	4.1
265.09213	1.3
278.07458	1.0
312.07214	1.9
372.09293	1.4
440.11819	1.2
457.21591	0.5
458.12973	37.9
459.13400	2.7
465.02570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.8
59.01246	100.0
60.94732	1.6
61.98693	14.4
71.01249	4.3
71.52309	3.6
73.16233	1.9
80.57455	2.0
89.02320	2.1
95.04833	1.9
97.02869	2.1
99.08015	9.0
99.48389	1.7
120.04435	3.7
192.70531	2.0
261.15033	9.5
279.16068	3.2
282.13406	2.0
295.22827	2.3
379.24838	41.8
380.25110	4.5
383.22412	3.7
394.02588	2.0
394.16949	3.7
396.12607	2.2
412.15582	2.8
439.16635	4.5
457.16776	1.9
457.27792	3.7
457.33261	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	457.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.9
59.01252	100.0
60.01554	1.8
61.98692	7.3
68.99678	2.2
71.01219	2.5
85.44202	1.6
87.49900	1.8
98.20598	4.6
99.04392	4.1
99.08030	7.8
99.70286	1.9
120.04456	2.0
136.94823	2.0
223.77762	2.0
261.14877	13.0
262.93146	2.2
275.06570	1.9
279.16092	2.1
282.13016	3.8
295.22672	3.0
299.60974	2.0
339.23300	3.7
379.24884	37.1
380.25217	4.3
383.22232	8.9
384.22922	2.3
439.16748	2.4
457.27151	7.8
457.33240	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	457.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	14.2
71.01253	8.3
71.30571	4.3
71.52428	4.0
75.89412	3.6
89.02327	8.5
114.90765	4.7
119.03374	5.8
165.57338	4.0
179.05484	11.4
277.21674	100.0
278.22159	7.2
329.96698	4.0
397.31073	5.0
457.33661	23.1
458.33377	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	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.4
57.03329	0.7
58.00451	0.5
59.01249	100.0
60.01585	1.1
68.80320	0.3
69.03325	0.5
69.33594	1.4
69.34025	1.0
71.01253	13.8
72.99174	0.5
73.02818	10.5
75.00769	0.3
81.03358	0.4
81.10842	0.2
83.01256	3.3
85.02824	3.3
87.00739	0.7
89.02313	5.1
95.01271	1.0
98.20565	0.6
101.02322	9.6
103.03924	0.4
113.02330	8.0
115.00250	0.4
118.72819	0.2
119.03382	2.1
125.02374	0.3
131.03406	0.6
138.43153	0.3
139.62383	0.3
140.28766	0.3
143.03448	0.6
146.25940	0.3
149.04419	0.4
155.03465	0.3
161.04474	2.4
165.09219	0.8
175.02493	0.8
179.05598	0.5
193.08754	0.3
295.06317	0.3
397.22391	1.1
415.23502	0.8
457.17145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58848	0.6
55.01759	0.7
57.01928	0.6
59.01250	100.0
60.01593	1.0
69.41300	2.7
69.41721	1.9
71.01251	15.7
72.99187	0.6
73.02821	7.8
83.01279	1.9
85.02833	4.2
89.02310	7.5
91.79577	0.5
95.01279	0.7
98.20598	1.1
99.00729	0.7
101.02312	7.9
113.02336	11.9
113.03083	1.0
119.03415	1.8
131.03413	1.0
143.03430	0.8
149.04541	0.7
160.03806	0.5
161.04498	2.8
179.05605	0.6
245.75766	0.5
346.59354	0.6
397.22488	2.5
415.23413	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	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.4
57.03334	0.2
58.00462	0.7
59.01249	100.0
60.01597	1.0
62.58417	0.2
64.14542	0.3
69.03339	0.3
71.01253	14.4
71.30120	0.6
72.99191	0.7
73.02816	10.1
74.03155	0.3
75.68393	0.2
78.66029	0.2
83.01268	2.8
85.02824	3.0
87.00774	0.9
89.02318	7.6
95.01279	1.1
99.00781	0.4
101.02322	11.3
113.02328	9.5
119.03383	2.2
125.02390	0.7
131.03427	0.9
143.03436	1.0
149.04539	0.6
161.04460	3.5
179.05566	0.8
192.78085	0.3
221.88638	0.3
397.22485	1.1
415.23584	0.7
424.06110	0.3
438.07898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64838	0.3
55.01742	0.6
57.03325	1.2
58.00463	0.7
59.01249	100.0
60.01580	1.0
60.77404	0.3
62.65302	0.3
69.03318	0.4
69.19517	2.0
69.19942	1.1
71.01254	19.8
72.01582	0.4
72.99181	1.0
73.02818	6.3
73.03199	0.5
73.11388	0.2
83.01259	2.6
85.02825	7.4
87.00750	1.3
89.02315	11.3
91.13692	0.3
95.01264	2.5
95.21625	0.3
97.02838	0.5
99.00771	1.0
101.02321	9.2
108.46537	0.2
113.02328	17.6
114.02674	0.5
115.03900	0.3
119.03386	4.4
120.37147	0.3
120.76263	0.3
125.02377	0.4
131.03438	0.7
143.03464	1.3
149.04518	0.3
161.04466	3.4
179.05566	1.6
228.35510	0.3
269.37073	0.3
335.49103	0.3
349.45041	0.3
397.22272	6.6
398.22440	0.7
415.23398	4.1
416.23862	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91747	1.0
54.55676	0.8
57.03289	0.9
59.01251	11.5
60.99164	3.8
67.01754	7.4
69.03307	1.9
70.30499	2.2
71.01259	7.6
73.02813	1.9
74.57718	0.7
75.00728	0.9
81.03340	1.7
83.01273	1.1
85.02813	4.6
87.00745	9.1
89.02294	1.9
89.99583	0.9
91.07523	0.9
93.03331	65.6
94.03662	1.7
99.00736	1.0
101.02304	3.0
109.02826	1.4
111.04417	7.4
113.02290	2.0
115.03909	1.0
119.04850	1.1
121.02842	25.1
125.02304	1.7
127.03838	1.0
135.04411	14.6
137.02324	2.9
149.02399	1.1
150.03162	0.9
152.01126	1.1
155.03391	1.8
163.03891	1.3
164.04657	1.3
173.04468	15.7
174.41402	0.9
177.57115	0.9
190.02631	1.3
191.05510	17.5
195.04926	1.2
205.04977	2.1
243.70975	0.8
335.09644	1.3
457.13474	100.0
458.13614	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	457.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30836	1.0
57.03308	2.8
59.00964	1.6
59.01248	31.3
61.98700	0.9
70.34510	3.6
71.01245	12.0
72.99181	1.3
73.02798	2.2
78.23663	0.8
83.01244	1.1
85.02817	14.8
86.02299	1.0
89.02312	15.1
93.03327	1.1
95.01253	1.0
98.20560	1.0
101.02317	9.4
103.03886	25.5
104.04202	1.0
112.60336	1.0
113.02311	8.0
119.03392	7.6
123.04385	1.3
133.02895	1.1
137.02351	2.3
148.01541	1.8
149.02351	2.5
149.04454	1.0
150.03116	10.6
153.01802	2.4
161.02348	1.0
161.04439	1.3
163.03932	1.5
165.05452	3.5
176.01071	25.3
177.01630	1.9
179.05525	1.2
191.03412	38.5
192.04036	2.6
194.02081	2.8
205.05034	1.5
207.06557	1.6
209.04477	11.6
251.05562	5.7
265.09259	100.0
266.09515	3.9
281.06497	2.2
311.07678	4.2
371.09927	5.2
457.13397	44.4
458.13596	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	457.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	7.5
57.03318	4.0
58.04750	3.6
59.01255	40.0
62.17770	3.7
62.57826	3.4
68.01153	3.7
69.52057	6.8
69.52469	20.9
71.01250	36.3
72.99169	13.6
73.02811	7.9
83.01243	6.0
85.02814	16.4
87.00728	4.2
89.02325	36.8
90.00572	3.4
91.93383	3.4
93.03322	7.0
101.02318	18.9
101.66978	3.2
111.00754	8.2
113.02354	22.8
117.03323	9.3
119.03397	8.6
119.04915	39.1
121.02868	4.1
123.04414	10.9
133.02815	12.6
133.06482	100.0
135.04396	6.1
137.02298	4.8
145.02863	35.7
145.06477	5.3
147.04405	16.0
149.05977	5.6
158.03616	3.8
159.04413	11.4
161.04581	5.9
161.05942	23.4
163.03951	4.4
169.06625	3.8
171.04366	4.4
172.05225	9.1
173.05997	24.5
175.03917	21.5
175.07483	3.7
177.05560	3.4
185.06039	5.0
187.03851	5.0
187.07585	6.8
189.05385	3.9
189.09117	9.9
191.07045	4.8
197.06029	4.6
199.07570	6.3
203.03400	5.0
203.07098	26.8
203.10690	4.9
205.04987	33.4
210.04057	4.9
214.06326	4.6
215.07117	49.2
216.07478	3.9
217.04955	13.8
219.06557	4.7
233.08153	50.6
233.11729	24.4
247.06107	30.0
249.11302	6.1
251.09071	6.0
259.06180	19.1
277.04565	4.3
277.07104	59.5
277.10687	17.0
369.71548	3.7
395.13409	20.1
438.72238	3.9
439.12469	14.6
457.17709	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.9
59.01246	45.0
60.12421	0.6
61.98688	0.9
71.01248	24.0
72.99176	2.0
73.02811	3.7
75.00731	1.1
77.42396	0.8
78.43295	0.7
81.03365	0.8
83.01250	1.5
83.31294	0.6
85.02818	9.7
87.00761	2.1
89.02310	88.7
90.02644	1.0
93.03365	1.6
95.01262	2.0
101.02314	13.6
103.03910	2.1
103.84379	0.6
104.45906	0.7
106.18601	0.6
108.02042	1.6
109.02848	1.3
113.02316	9.1
117.01802	0.7
117.03368	0.9
118.55343	0.7
119.01273	2.2
119.03374	6.3
119.04866	1.1
121.02837	4.8
129.01787	1.1
131.03369	3.2
133.02815	0.7
133.06625	0.7
135.04413	1.3
137.02351	1.3
138.03081	1.3
143.03380	1.0
144.04475	1.6
147.00728	1.1
147.02870	0.8
147.04411	2.8
148.01524	0.8
149.02341	26.6
150.03078	1.5
152.01006	2.0
160.01578	0.8
161.04446	2.0
163.03911	2.9
164.04695	20.9
165.01877	0.8
165.05331	1.3
166.02550	0.9
167.03477	0.7
173.02354	1.3
175.00258	13.6
175.03908	1.0
176.01047	6.7
177.01756	0.7
178.04951	0.7
179.03520	0.9
179.05533	1.1
179.07011	3.0
190.02623	32.3
191.03395	12.1
193.01239	0.8
193.04968	0.9
205.04990	33.5
206.05710	5.4
207.02919	1.6
208.03665	2.7
209.04375	1.4
221.08134	5.1
223.06055	18.6
224.06339	1.2
233.06528	3.9
237.07654	1.4
250.04803	2.0
251.07664	100.0
252.07938	4.8
265.07080	7.8
265.09369	2.6
277.09671	0.9
295.08234	0.8
295.11499	1.0
325.09137	2.8
327.08685	0.7
333.25400	0.7
337.12823	2.6
343.51212	0.7
367.10126	1.8
367.14322	0.9
397.22183	1.5
415.23212	1.6
439.12433	0.8
457.13391	74.4
458.08893	0.8
458.13824	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	457.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30836	1.0
57.03308	2.8
59.00964	1.6
59.01248	31.3
61.98700	0.9
70.34510	3.6
71.01245	12.0
72.99181	1.3
73.02798	2.2
78.23663	0.8
83.01244	1.1
85.02817	14.8
86.02299	1.0
89.02312	15.1
93.03327	1.1
95.01253	1.0
98.20560	1.0
101.02317	9.4
103.03886	25.5
104.04202	1.0
112.60336	1.0
113.02311	8.0
119.03392	7.6
123.04385	1.3
133.02895	1.1
137.02351	2.3
148.01541	1.8
149.02351	2.5
149.04454	1.0
150.03116	10.6
153.01802	2.4
161.02348	1.0
161.04439	1.3
163.03932	1.5
165.05452	3.5
176.01071	25.3
177.01630	1.9
179.05525	1.2
191.03412	38.5
192.04036	2.6
194.02081	2.8
205.05034	1.5
207.06557	1.6
209.04477	11.6
251.05562	5.7
265.09259	100.0
266.09515	3.9
281.06497	2.2
311.07678	4.2
371.09927	5.2
457.13397	44.4
458.13596	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	456.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.1
62.51933	0.1
69.31525	0.3
69.31955	0.4
77.03870	0.1
82.02852	0.3
91.05405	0.1
96.08031	0.2
102.03377	0.1
119.04900	0.3
120.04436	89.9
121.02863	0.2
121.04780	2.7
133.06480	0.8
136.23421	0.1
142.06487	0.1
146.06001	1.1
148.07594	0.3
160.07578	6.3
161.07936	0.2
167.97672	0.1
172.07629	0.2
172.11237	0.2
173.07022	0.4
174.09157	3.3
175.08470	0.1
177.10286	0.2
182.09671	0.1
184.11241	0.8
187.08653	0.3
203.08212	1.6
205.17778	0.1
217.13400	1.3
218.13551	0.1
229.13406	1.7
230.13718	0.1
263.11710	0.1
267.14996	0.2
281.12927	100.0
282.13263	7.9
295.14490	17.1
295.21423	0.1
296.14825	1.7
305.16714	0.2
317.16571	1.5
323.17691	0.1
335.17587	1.1
350.18567	0.1
364.41647	0.1
371.32751	0.1
378.18207	0.1
456.22879	72.2
457.23206	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	457.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43940	2.4
57.34948	2.0
58.29370	2.1
59.01253	4.5
62.73557	1.9
70.24967	9.7
71.01248	5.3
85.02776	2.9
89.02309	3.4
93.03326	3.1
101.02322	3.4
113.02290	4.7
113.43981	2.5
119.03396	2.2
119.04913	6.9
121.02841	20.4
133.02878	2.3
133.06499	25.6
138.03105	8.7
145.02876	10.3
147.04379	4.5
148.78963	2.1
153.05466	11.4
159.04486	3.5
161.05960	3.0
163.03874	4.8
172.12630	2.3
173.06003	3.5
174.96579	1.9
175.03902	4.4
177.01836	2.2
177.05438	6.5
178.06255	3.2
179.07010	3.0
183.00328	2.2
185.05908	3.6
186.99301	2.5
189.09203	2.4
191.03413	3.4
193.08626	5.1
203.03416	29.2
203.07074	4.7
204.04019	2.1
205.05002	13.5
215.07079	7.9
218.05806	21.9
221.04597	17.4
222.04811	2.6
233.08151	45.2
236.06865	25.5
247.05966	2.5
251.09204	100.0
252.09503	5.7
259.06085	7.6
277.06985	6.3
296.15280	2.2
334.90347	2.1
335.09625	3.5
395.13181	4.0
418.54449	2.4
439.12250	4.6
457.13037	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	455.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.5
58.00456	1.7
59.01247	64.4
61.98674	1.5
69.83488	1.8
69.83900	4.7
71.01250	24.6
72.99163	2.0
73.02814	1.6
83.01224	1.2
84.02068	1.5
85.02824	8.2
89.02306	17.0
93.29421	1.0
95.01252	2.9
97.02825	1.4
97.06445	4.4
98.20561	1.9
101.02321	10.3
113.02295	6.1
115.83398	1.3
119.03392	4.9
120.04445	2.9
121.02809	1.6
134.01328	1.0
161.98883	1.1
171.10109	2.6
209.11777	1.5
223.13348	2.0
254.16615	1.6
261.15027	3.5
275.20145	4.5
277.21902	1.5
281.12930	3.1
293.21213	22.9
294.21515	1.8
295.22284	1.0
377.23383	9.7
455.26477	100.0
456.27332	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	455.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48161	0.3
69.80824	1.0
79.62926	0.2
87.22587	0.2
180.77460	0.2
214.48485	0.2
280.92374	0.2
281.12823	0.4
371.05511	0.2
425.30292	0.4
455.35284	100.0
456.35638	14.7
467.56650	0.2
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	Oleanolic acid
Peak:m/z	Relative Intensity
62.30259	0.3
78.57229	0.4
98.19788	0.8
101.05362	0.3
116.35957	0.4
128.94269	0.4
148.76405	0.3
229.22537	0.5
306.27060	0.4
331.16202	0.4
455.35275	100.0
456.35608	13.8
482.37512	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.1
57.03312	1.1
58.00462	1.1
59.01247	100.0
60.01587	1.0
69.03314	1.1
71.01248	35.7
72.99182	1.6
73.02814	46.4
74.03156	0.5
75.00742	0.9
83.01254	13.1
83.01718	0.9
85.02811	6.4
87.00742	1.3
89.02316	9.3
93.03316	0.8
94.30943	0.5
95.01263	1.8
97.02826	0.7
97.06449	0.7
99.00735	0.9
101.02316	36.2
103.03886	1.0
108.02062	1.2
109.02852	0.7
113.02324	10.8
119.03409	3.9
121.02808	1.0
125.02322	1.4
131.03362	2.4
132.01305	0.5
137.02354	1.0
143.03395	3.3
148.62820	0.5
149.04459	1.8
152.01045	0.7
155.03392	1.4
161.04439	8.8
175.03941	0.9
193.08397	0.5
227.09357	0.5
233.15408	74.8
234.15767	4.8
248.10155	0.5
251.16554	2.1
265.09152	0.6
293.10150	0.8
395.20770	2.7
413.21793	2.8
455.16650	1.4
455.22858	16.0
456.23175	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	455.2648
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
57.03319	1.5
58.00452	1.6
58.44366	0.6
59.01248	48.9
61.98699	1.1
71.01251	20.1
71.38959	0.7
72.97929	0.6
72.99175	2.5
73.02817	1.6
78.28801	0.6
83.01253	1.9
84.02063	0.6
85.02827	5.7
87.00739	0.8
89.02312	16.8
93.03348	0.6
95.01255	2.8
95.04876	0.7
96.95837	0.8
97.06472	2.1
101.02323	11.9
111.08033	1.3
113.02310	6.5
119.03392	6.2
120.04442	2.0
121.02798	0.8
166.01041	0.6
171.10167	2.4
179.14316	1.2
195.13739	0.7
209.11765	1.2
223.13268	1.6
231.21211	0.6
231.41705	0.7
248.73595	0.6
253.16164	0.9
254.16693	2.1
261.14883	1.8
275.20105	4.2
277.21719	0.9
281.12930	2.5
293.21210	26.8
294.21634	1.6
309.20731	0.7
313.06918	0.9
321.44513	0.7
377.23273	5.5
378.23770	0.8
395.14789	1.3
406.49759	0.7
455.26480	100.0
456.27444	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	455.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.7
55.26559	0.5
57.03328	2.7
58.00474	1.1
59.01249	100.0
59.27291	0.4
60.01587	0.9
60.16093	0.5
65.65118	0.5
71.01253	37.4
71.04881	0.6
72.99191	1.5
73.02814	13.2
73.03200	1.0
80.64377	0.6
83.01252	6.3
83.04904	0.8
85.02820	16.3
86.51102	0.5
87.00764	1.6
89.02319	9.8
95.01267	3.1
96.95892	0.6
97.02861	0.9
98.06293	0.5
99.00755	4.5
99.04453	0.5
101.02318	21.5
108.02086	0.6
113.02330	12.5
119.03386	3.5
119.04926	0.7
125.02297	0.9
131.03441	1.0
143.03455	2.5
159.02905	2.0
161.04453	15.3
171.10152	2.9
175.94887	0.6
179.05518	1.1
189.16464	1.1
206.99756	1.0
209.11774	1.9
223.09840	0.6
233.15433	1.1
235.16945	1.5
251.16533	3.5
270.03900	0.6
281.89648	0.5
369.22699	5.2
395.20731	2.0
413.21634	5.1
414.21698	0.6
455.22775	43.3
456.17407	0.9
456.23260	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	455.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14754	0.5
65.03825	1.0
67.01767	1.2
67.99707	0.6
69.36834	4.9
71.01253	0.7
78.97591	0.5
80.02559	0.5
93.03342	1.0
94.69362	0.5
96.46217	0.6
97.06476	1.0
108.02031	5.1
109.02151	0.9
109.02840	13.3
113.17661	0.5
121.01965	1.2
121.02842	24.5
122.03625	42.3
123.08045	1.3
123.25249	0.7
123.93268	0.6
133.02838	1.3
134.03613	1.1
135.08037	0.7
147.11728	1.1
149.02356	5.9
150.03113	8.5
153.09119	2.8
161.02356	3.8
163.07535	0.9
182.02138	1.6
191.10687	13.9
192.11191	0.6
203.10684	10.4
205.12206	0.8
221.11772	100.0
222.12097	5.9
235.16927	0.6
247.09711	3.0
249.11293	44.1
250.11665	3.2
277.41547	0.6
455.15573	8.5
456.16269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16573	0.7
55.01729	1.1
56.39887	0.7
57.03287	1.7
57.20691	0.8
58.00446	1.5
59.01250	47.6
59.01535	2.0
61.98662	0.9
67.01711	0.8
69.03281	1.1
71.01250	24.0
71.52577	1.1
72.99135	2.4
73.02822	4.3
78.95754	1.3
80.02493	1.0
83.01259	3.6
83.61373	0.7
85.02824	8.4
87.00717	3.0
89.01775	0.9
89.02312	16.4
93.03285	1.0
95.01207	1.8
95.04856	0.7
96.57816	0.7
97.02811	0.9
98.84655	0.7
99.00734	2.7
101.02324	15.5
103.03864	1.4
103.82714	0.8
107.01221	1.3
108.02040	9.1
109.02828	6.8
111.00761	1.2
113.02319	9.7
114.05431	1.3
119.03350	4.6
119.04839	0.9
121.02848	8.1
122.03638	10.0
124.01517	0.8
125.02288	1.4
128.03445	3.7
133.02768	1.0
134.03542	0.7
135.00711	0.9
135.04372	1.6
135.07965	0.8
136.01530	4.3
137.02353	4.4
139.00159	1.1
145.02840	1.6
145.06415	1.0
146.04468	0.9
149.02374	7.1
150.03111	8.9
152.00995	1.1
153.01823	4.1
160.04042	0.7
161.02364	7.1
161.05914	0.7
162.03017	1.2
163.03870	1.1
167.03302	0.7
170.04457	1.4
175.03851	1.1
177.98633	0.7
180.04198	0.9
182.02119	1.3
189.05435	3.4
190.06253	1.6
191.10713	3.7
195.13965	0.8
203.10696	10.8
221.08328	0.9
221.11778	20.6
222.12270	1.0
228.79520	0.9
231.10188	10.3
235.06107	1.3
247.09727	1.4
249.07602	3.0
249.11288	10.5
250.08334	1.1
275.09171	0.7
293.10284	4.0
309.11816	1.2
315.07257	0.9
337.07742	2.5
383.17065	74.6
384.17401	6.9
409.15091	2.7
411.16562	100.0
412.16992	9.5
437.14529	9.5
438.14670	1.3
439.73883	0.8
455.15561	69.4
456.15909	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	454.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34176	0.5
59.01246	7.4
65.03854	0.5
69.19643	5.3
71.01245	2.1
77.20769	0.5
79.05409	0.7
83.04903	1.2
89.02316	0.7
93.03340	1.7
97.06441	0.5
101.02290	0.8
106.04129	3.7
107.04913	6.0
108.02071	2.5
109.02870	2.4
119.04919	0.7
119.88184	0.7
121.02874	4.2
122.03643	4.2
130.04097	2.0
133.02850	1.0
134.03603	0.8
138.03130	0.9
143.04956	3.2
144.05693	2.4
145.06517	3.2
145.10063	0.7
147.08063	4.3
147.11699	0.6
149.02325	1.5
150.03152	1.2
151.07532	0.6
153.09109	0.6
157.06483	1.1
158.07272	0.7
159.08081	5.8
161.02356	1.6
162.03093	1.1
165.01904	0.7
173.09634	4.7
177.01767	0.9
183.08032	2.1
187.03825	1.0
188.04707	1.0
189.09059	1.0
191.10701	1.8
199.07542	0.7
201.09216	0.8
203.10689	3.2
217.08644	3.1
221.11768	8.9
229.08557	0.6
245.08133	0.6
247.09724	100.0
248.10094	5.5
249.11340	1.2
261.11337	1.0
265.10803	28.0
266.11148	2.0
274.10855	15.3
275.11075	1.2
287.11517	0.9
289.10709	1.5
292.11911	16.9
293.12259	1.0
307.11768	1.2
312.78998	0.5
316.11996	4.2
334.12827	0.9
427.16199	6.4
436.16104	18.4
437.16409	1.4
454.17056	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	1.8
57.03324	2.0
58.00456	1.6
59.01250	52.7
61.98706	1.2
67.01762	0.7
69.03323	1.7
71.01252	33.3
71.52689	1.1
72.99191	4.2
73.02817	6.5
75.00735	2.4
81.03316	1.6
83.01263	4.9
83.04881	1.3
83.84111	0.9
85.02402	1.0
85.02829	8.4
85.99977	0.8
87.00747	4.9
89.02322	7.2
91.01727	1.0
93.03314	1.9
95.01260	2.3
97.02827	1.6
99.00751	5.5
101.02316	9.4
103.03868	3.0
106.04139	1.4
107.04913	2.0
108.02055	5.1
109.02836	4.4
109.06459	1.4
111.00768	1.4
112.01528	1.3
113.02309	6.9
119.03393	1.9
119.04874	1.2
121.02843	5.3
122.03660	4.6
123.04416	1.1
124.00679	1.0
124.01539	2.3
125.02332	5.3
133.02853	1.5
134.03615	1.2
135.04396	1.1
137.02335	1.1
143.03374	1.2
143.04944	0.9
147.04396	1.1
149.02321	4.4
150.03090	2.3
152.01006	3.1
153.01833	1.3
154.97972	1.7
157.06534	1.4
159.08012	1.0
160.03951	1.5
161.02374	8.8
161.04456	2.3
161.05905	1.5
163.03905	1.7
163.11189	1.7
165.01826	3.0
166.02571	2.0
173.09616	1.6
175.07565	1.8
177.01857	5.1
178.02477	0.9
178.08784	0.8
185.05882	0.8
185.09572	1.2
187.03859	2.2
188.04732	1.3
191.10605	1.0
196.02283	0.9
201.05481	1.6
203.07094	12.3
203.10739	4.3
204.07465	0.9
217.08621	1.0
219.06595	1.3
221.11795	10.3
222.12083	0.8
229.08578	2.3
231.10147	1.9
233.11681	1.3
233.15466	1.3
245.11699	1.9
247.09740	19.7
247.13397	1.9
249.11266	2.0
251.16464	1.8
254.57365	0.8
257.11734	1.1
261.11267	0.9
263.12762	1.3
265.11087	7.9
270.04791	0.9
271.13211	1.1
275.12720	1.9
287.12820	1.7
289.10745	4.4
289.13998	1.2
291.12329	1.2
301.10779	2.6
303.12497	1.1
307.11835	1.5
319.11823	3.1
329.10025	1.1
331.11841	5.5
349.12717	2.2
355.12030	1.6
365.16095	2.8
383.16968	2.3
386.44339	0.9
391.13953	12.7
395.20657	2.6
409.15015	100.0
410.15436	7.6
413.21722	2.6
436.16144	8.9
454.17102	67.4
455.17593	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	454.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52683	0.9
57.03324	9.1
58.00471	1.8
58.02846	58.4
59.01250	38.5
61.98701	0.9
69.03323	1.1
71.01252	35.4
71.53085	1.6
72.99186	2.7
73.02813	7.7
79.33041	0.8
83.01257	4.2
84.02062	0.8
84.06489	0.8
85.02821	40.2
87.00771	2.3
89.02314	20.2
93.03367	1.0
99.00738	1.4
99.04414	1.4
101.02322	16.9
103.03887	88.9
104.04216	1.9
108.02070	2.6
109.02844	1.9
111.00731	2.1
113.02324	12.3
114.05552	0.9
115.05429	2.3
117.05486	1.1
119.03383	7.6
119.04912	1.0
120.01141	1.2
120.04460	5.3
121.02832	4.4
131.04893	5.3
133.06517	4.9
135.04381	0.9
143.03403	1.6
145.04979	3.0
145.06433	1.1
147.04411	30.1
152.01064	3.0
153.01926	1.2
157.04991	2.3
160.07620	2.3
161.04614	2.1
161.05980	45.9
162.06364	1.9
162.09157	3.1
164.07085	19.0
172.86908	0.8
184.07584	1.2
186.09114	5.0
188.07030	6.3
189.05479	6.6
190.21126	0.9
198.12711	0.9
201.25499	0.8
206.08159	100.0
207.08493	4.7
220.09712	2.3
221.11758	2.0
230.08226	6.1
247.08185	37.1
248.09227	21.2
249.09547	1.9
265.09262	95.5
266.09686	3.4
266.44751	1.0
278.10419	1.2
395.13437	26.2
396.13733	3.2
454.17172	91.9
455.17117	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	453.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	7.2
59.01245	15.9
60.71159	3.0
67.01763	21.6
69.03311	13.4
71.01228	4.6
71.04876	3.0
71.52396	6.1
72.99178	13.2
73.02819	6.2
79.05408	6.8
81.03323	26.2
83.04895	20.9
85.02851	3.7
87.00761	3.6
87.04386	6.3
95.01262	7.3
95.04861	3.4
97.02830	12.7
97.06452	7.7
99.04388	3.8
105.07002	3.4
107.04893	4.3
107.79893	3.1
109.02820	4.2
109.06478	8.0
111.00761	14.4
111.04395	9.9
113.02307	4.9
113.06022	4.5
121.06487	13.5
123.04437	3.3
129.07019	4.5
133.06480	8.2
135.08034	5.2
137.09587	3.4
141.29333	3.5
145.06503	5.3
145.10114	9.8
146.07239	4.0
147.08017	12.3
148.46504	2.8
149.09608	13.2
157.06519	4.0
159.07977	4.0
159.11751	4.9
160.89082	3.7
161.06046	3.8
161.09602	6.8
165.86343	4.5
169.10104	4.2
171.08051	8.2
171.10158	10.0
171.11620	5.7
173.09619	13.3
187.11137	9.3
189.12769	4.1
199.11121	7.8
201.12743	5.7
213.12709	7.9
223.11208	4.2
223.14854	8.3
225.12845	4.6
225.16437	4.2
237.12715	3.6
239.18011	4.9
241.15976	6.9
243.10217	4.2
249.16336	5.6
251.14366	31.1
252.15143	4.7
253.16060	8.6
255.17497	5.4
257.11829	7.1
257.19168	9.0
259.09760	7.0
265.16052	6.2
267.17505	73.1
268.17841	3.9
269.11807	28.7
269.15521	4.5
269.18994	12.0
277.16052	4.8
283.13400	11.5
283.17001	31.8
285.18549	31.3
295.13416	8.2
295.16907	7.9
309.18384	3.4
313.18042	29.0
335.16382	4.5
347.16449	43.9
347.20032	5.8
363.19659	9.3
365.21164	11.7
373.18033	7.7
375.16040	5.3
381.20731	30.8
391.19125	100.0
392.19308	9.2
409.20291	9.2
453.19363	59.9
454.19632	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	452.278
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84799	0.9
78.95771	100.0
96.96838	8.8
108.22813	0.4
140.00981	0.8
152.99486	16.6
158.42302	0.4
171.00551	17.3
196.03714	1.5
198.00537	0.4
210.18445	0.4
214.04828	0.4
233.40959	0.4
255.23250	13.3
256.23645	1.0
258.35800	0.4
285.70334	0.4
378.24094	1.7
392.18591	0.6
409.42749	0.4
452.27808	56.7
453.28033	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	453.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	5.2
58.00451	1.1
59.01250	27.8
60.58704	0.8
69.03323	0.8
70.02843	1.2
70.78571	2.2
71.01250	9.9
72.99176	2.5
73.02817	1.8
78.40487	0.8
85.02824	30.1
85.43447	0.8
87.00748	2.0
89.02322	2.3
92.02542	1.6
93.03329	6.4
95.01260	12.0
97.02831	1.0
99.00735	1.5
99.04356	1.5
101.02308	2.7
103.03889	40.3
104.04209	0.9
108.02052	12.4
117.05424	0.9
123.00765	1.0
136.01563	74.6
137.02298	1.4
145.04942	1.5
148.00662	1.5
149.01230	1.6
149.02341	23.2
150.03113	4.0
161.09630	4.6
162.46584	0.9
171.10112	3.6
178.02686	1.0
182.02081	1.0
205.08644	40.4
206.08955	1.0
219.10277	4.2
225.11229	1.5
229.08835	1.1
247.09880	3.9
253.16313	2.3
257.31915	0.8
265.07065	1.3
265.09253	7.6
303.98044	0.9
307.11844	1.4
356.04846	1.0
453.17615	100.0
454.18011	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	453.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24773	0.5
55.01751	1.8
57.03313	0.8
58.00467	1.5
59.01250	65.0
68.99681	0.9
69.03327	1.9
71.01256	39.5
71.32257	0.7
72.99165	2.0
73.02818	68.4
74.03150	1.0
75.00753	1.0
83.01258	14.0
85.02831	4.8
86.23671	0.5
87.00773	1.1
89.02314	4.2
93.03329	0.8
94.85030	0.5
95.01257	1.3
96.99196	1.1
97.02821	1.0
99.00758	1.3
101.02323	33.7
106.04124	13.9
107.04955	0.9
113.02333	10.7
119.04962	0.9
125.02328	1.7
131.03386	1.1
134.03622	1.8
138.03160	2.5
143.03365	0.6
147.02705	0.6
149.02388	0.7
150.03128	0.7
155.03415	1.2
161.04445	2.0
166.02608	0.7
175.11201	9.9
182.02002	0.6
187.11217	7.1
205.12291	12.2
213.19632	0.6
216.52011	0.6
231.10260	2.5
233.11839	2.4
245.11877	0.8
246.12686	0.6
247.13354	2.2
248.10516	0.7
249.11295	100.0
250.11601	5.6
259.13388	0.6
263.12848	6.2
264.13232	0.6
291.12381	20.7
292.12653	2.0
303.12381	2.1
321.13483	1.2
333.13535	2.7
358.41608	0.6
393.15524	9.9
394.15976	1.2
396.58078	0.5
453.17642	81.7
454.17926	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	452.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02853	0.2
59.01239	0.4
65.16606	0.2
69.25630	0.2
69.54954	1.4
78.95773	51.4
96.96838	2.5
122.00001	1.0
122.98508	0.3
137.85269	0.2
140.01079	4.8
152.99486	7.4
170.99054	0.3
171.00539	6.3
185.50383	0.2
196.03722	9.5
214.04765	2.1
255.23256	100.0
256.23611	7.3
275.29898	0.2
312.26227	0.2
378.24338	0.6
392.18451	0.3
452.27795	44.7
453.28198	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	452.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.7
65.62212	0.4
69.32992	3.9
71.01250	2.6
73.02816	3.3
76.15969	0.4
79.10810	0.4
83.01255	0.8
85.02802	0.5
89.02308	0.6
93.03338	5.6
95.01283	1.0
98.19857	1.0
101.02328	2.7
106.04142	0.6
108.02055	9.0
112.18652	0.4
113.02335	1.0
119.03416	0.4
136.01555	1.9
136.93352	0.4
137.02333	3.8
146.02377	100.0
146.41922	0.3
147.02711	5.0
163.02623	0.6
164.03441	30.8
165.03781	1.1
203.07117	0.5
205.12363	0.6
249.11279	7.6
263.12891	0.4
265.09213	0.4
291.12390	1.7
393.15417	1.1
452.15805	0.8
453.17648	7.5
461.01169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.7
65.62212	0.4
69.32992	3.9
71.01250	2.6
73.02816	3.3
76.15969	0.4
79.10810	0.4
83.01255	0.8
85.02802	0.5
89.02308	0.6
93.03338	5.6
95.01283	1.0
98.19857	1.0
101.02328	2.7
106.04142	0.6
108.02055	9.0
112.18652	0.4
113.02335	1.0
119.03416	0.4
136.01555	1.9
136.93352	0.4
137.02333	3.8
146.02377	100.0
146.41922	0.3
147.02711	5.0
163.02623	0.6
164.03441	30.8
165.03781	1.1
203.07117	0.5
205.12363	0.6
249.11279	7.6
263.12891	0.4
265.09213	0.4
291.12390	1.7
393.15417	1.1
452.15805	0.8
453.17648	7.5
461.01169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01586	1.1
61.98705	1.5
68.61407	0.6
71.01255	0.7
71.07772	1.1
72.51869	0.5
78.95784	1.6
81.03320	3.5
83.04896	13.8
86.67049	0.6
96.95889	0.6
126.21349	0.6
137.01813	0.5
145.04729	0.6
167.17952	0.6
177.12761	0.6
185.16052	0.5
232.27795	0.7
271.13367	1.1
289.14560	2.4
377.23441	0.6
389.27881	0.9
391.29633	41.4
392.29987	4.3
451.15302	1.3
451.25693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.1
58.02841	0.4
59.01249	10.8
60.01569	0.1
61.98699	1.0
69.03329	0.1
71.01244	1.5
71.52963	0.2
72.99171	0.1
73.02814	0.4
75.00723	0.2
75.19108	0.1
77.56408	0.1
80.04920	0.3
81.03328	8.3
81.13815	0.1
82.03635	0.2
83.01238	0.1
83.04892	24.4
84.05225	0.4
85.02811	0.7
87.00763	0.1
89.02312	0.6
93.03336	0.3
97.06469	0.2
99.00748	0.3
100.07579	0.3
101.02302	1.0
103.03899	0.7
104.04265	0.1
107.06001	0.6
108.04440	1.1
112.03759	0.1
113.02348	0.7
119.03352	0.2
125.02323	0.1
125.07091	3.0
126.05506	0.5
126.07481	0.2
130.61014	0.1
139.07530	0.3
141.09114	2.0
143.08163	1.5
153.09053	0.1
157.08650	0.6
161.04417	0.6
174.05588	0.1
185.08112	0.7
203.09161	3.9
204.09477	0.2
207.14958	3.2
208.13525	0.3
208.15302	0.2
224.17621	4.9
225.16028	12.2
226.16394	0.6
242.18726	1.7
244.60039	0.1
245.10371	0.9
250.15405	0.2
265.09222	0.3
268.16653	0.5
275.11426	0.1
289.14413	0.8
290.22537	0.3
305.12308	0.6
306.21805	0.1
307.23962	0.3
309.21799	0.3
324.26492	1.7
325.26712	0.2
331.17551	0.2
333.22925	4.0
334.23141	0.2
339.27637	0.2
341.29379	0.1
349.18591	0.2
351.24121	1.0
365.14441	0.9
367.27213	1.1
385.28171	0.5
391.23416	0.9
406.30383	0.2
409.24191	0.2
410.67099	0.1
433.31799	5.8
434.32263	0.7
451.19608	3.3
451.32849	100.0
452.18982	0.5
452.33185	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	452.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05202	0.6
59.01245	7.5
61.77107	0.5
69.38989	0.5
71.01243	3.5
73.02806	4.6
74.47189	0.6
83.01247	1.5
89.02319	1.0
91.65394	0.6
93.03328	1.5
95.01296	0.7
95.04900	0.7
97.81489	0.6
99.88758	0.6
100.12180	0.6
101.02321	2.8
106.04117	8.9
107.04897	2.5
113.02295	0.9
119.04884	1.0
121.02829	8.8
123.00800	0.6
124.90931	0.6
134.03603	1.2
137.02307	1.7
138.03102	2.2
143.04901	0.7
148.05148	0.9
157.06522	0.8
159.08089	4.0
160.05151	1.2
161.06003	1.1
166.02553	0.8
173.09612	2.8
174.06717	0.9
175.11183	20.8
176.11540	1.6
177.09177	1.4
180.04153	2.6
183.08121	1.0
185.05981	3.2
186.06615	0.7
187.07578	1.1
188.08313	1.0
190.09920	2.2
192.04164	1.8
201.09135	36.7
202.09569	1.8
203.07019	0.8
212.07140	2.3
219.10181	2.6
228.10222	4.5
230.08153	13.3
245.08145	17.2
246.08646	1.3
246.11314	8.0
247.11462	0.6
254.08076	0.9
272.09293	4.8
290.10324	100.0
291.10672	6.5
332.11447	4.9
452.15283	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	451.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25237	0.4
57.03312	0.9
57.69663	0.4
58.00449	0.7
59.01247	100.0
60.01582	1.0
61.98699	13.8
65.83899	0.4
67.29224	0.4
69.55248	1.3
69.55661	1.5
71.01248	12.4
72.99232	0.9
73.02820	3.6
75.00734	0.5
83.01273	1.5
85.02815	4.8
87.00787	0.7
89.02309	9.7
93.03310	0.8
95.01266	1.2
99.00743	0.9
101.02318	10.6
103.03927	0.5
108.02094	0.7
109.02883	0.8
113.02328	6.3
119.03389	4.9
121.08234	0.4
131.03403	0.8
137.02403	0.5
139.73019	0.4
143.03436	1.6
149.02513	0.5
149.04518	0.4
152.01115	0.5
153.01845	1.1
159.02931	0.6
161.04449	4.3
175.11214	0.6
179.05542	4.0
198.92329	0.4
203.09222	0.8
212.14806	0.5
222.05843	0.4
287.15036	0.5
289.20236	3.3
290.10318	3.0
305.16125	2.6
313.16611	0.6
331.17719	1.3
347.17090	2.4
349.18643	0.7
373.18884	1.0
391.23459	9.1
392.23746	0.6
423.28787	0.5
451.09128	1.5
451.19547	1.1
451.25681	3.6
459.41290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03292	0.9
59.01247	13.0
61.98676	1.1
69.03311	1.0
71.01254	6.5
71.52589	1.2
73.00265	0.8
73.02805	3.4
83.01266	1.6
85.02814	2.8
87.00735	0.9
89.02290	1.8
92.04829	0.8
93.03336	5.0
95.01247	4.9
97.02833	1.3
99.00732	1.2
101.02293	4.1
106.04127	16.2
107.04881	4.0
108.02042	8.9
109.02809	2.9
111.00690	0.9
113.02291	2.9
119.04888	1.7
121.02825	3.1
123.00745	5.4
125.02300	1.8
128.68855	0.8
135.04405	1.4
137.02303	1.7
138.03151	4.9
138.11546	0.8
139.00183	1.0
140.01068	0.9
141.01839	1.6
141.20464	0.9
146.02382	5.7
146.07324	1.0
147.08054	1.1
150.03094	4.1
152.01033	6.6
153.01831	8.3
155.07048	1.1
159.08003	2.0
161.04565	1.2
161.05960	1.1
164.03429	2.4
166.99716	1.8
168.00317	1.0
175.11205	10.2
181.28049	1.0
182.02094	5.5
215.14320	2.8
227.14417	2.5
233.71237	0.9
245.15421	5.1
246.12288	1.1
247.09654	1.5
268.03943	1.1
269.04407	2.0
289.14423	100.0
290.14789	6.1
315.07007	1.3
379.21960	1.0
419.09869	1.1
451.08707	7.5
451.15967	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	451.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01604	1.1
69.33807	2.1
69.34231	3.4
70.39828	0.6
71.01252	13.6
73.02814	6.6
83.01282	2.2
85.02829	3.2
87.04391	1.2
89.02313	7.4
95.01266	1.0
98.20581	0.6
99.00780	1.2
99.23415	0.8
101.02322	9.9
113.02325	9.5
119.03404	2.3
143.03395	0.9
149.04514	0.6
161.04482	4.7
173.50179	0.7
181.61046	0.6
187.13321	6.5
277.36255	0.8
331.17590	17.7
331.21350	1.0
332.17953	1.2
349.18668	14.2
391.19736	15.5
392.20068	0.9
458.31238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1973
Annotation	Absinthifolide
Peak:m/z	Relative Intensity
51.64210	0.3
59.01252	3.1
61.98662	0.4
65.03824	0.8
67.01765	0.9
69.38782	3.3
69.89075	0.4
71.01239	0.9
79.05382	0.5
80.02523	0.4
85.02811	0.5
98.19753	0.4
102.25970	0.4
106.04166	0.4
107.04887	1.6
108.02045	4.4
109.02863	2.9
121.02840	11.1
122.03630	16.3
123.04431	3.6
130.04117	1.1
131.21240	0.4
133.02835	1.4
134.03603	0.6
135.04411	1.8
143.04959	0.9
145.06520	1.3
152.01045	2.5
157.06487	2.0
159.08057	1.5
161.02275	0.5
161.06020	0.7
163.03711	0.4
163.07538	0.8
165.01849	3.4
167.14349	0.4
171.07910	0.4
175.07558	3.7
177.01897	1.8
177.09120	0.7
177.12747	2.9
187.03940	0.6
201.05495	5.6
219.06563	10.3
220.06946	0.5
221.08162	2.6
227.14293	1.2
243.95908	0.4
245.15434	47.0
246.15799	2.7
263.78354	0.4
271.13400	11.5
272.13693	0.9
287.16516	0.5
289.14447	31.9
290.14828	2.2
312.93951	0.4
361.17068	0.4
446.85980	0.4
451.19690	100.0
452.20068	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	451.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75740	0.9
59.01246	14.8
64.57262	0.9
69.03377	0.8
69.35090	9.1
71.01249	5.7
73.02816	2.6
82.04031	0.9
83.01270	1.4
85.02813	2.9
87.00741	1.1
89.02312	1.5
93.03341	4.5
95.01263	5.5
97.02790	0.9
101.02299	3.7
106.04122	18.5
107.04884	3.5
108.02041	9.1
109.02817	5.5
111.00771	1.7
113.02304	2.7
119.04902	3.1
121.02793	2.5
123.00751	5.8
123.62580	1.0
135.04385	2.0
137.02316	1.4
138.03107	6.6
139.00255	1.0
142.72864	0.8
146.02394	5.5
147.08035	1.1
150.03146	4.7
152.01050	9.9
153.01826	7.1
155.06978	1.0
161.04369	1.7
163.03722	1.4
164.03386	3.4
166.99710	2.8
175.11200	14.0
182.02159	5.8
203.10796	1.1
215.14362	3.5
219.10211	1.1
227.14337	3.7
245.15414	5.2
246.12567	2.0
247.09694	1.9
269.04202	1.6
270.04749	1.1
289.14444	100.0
290.14752	5.5
342.06659	1.0
436.81232	1.1
451.08707	9.5
451.16174	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	451.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.8
58.00460	2.6
59.01250	64.0
60.01571	1.0
61.98689	0.9
69.20031	9.4
71.01251	30.0
72.99187	2.9
73.02813	1.8
75.00723	0.7
83.01273	1.5
85.02815	8.3
87.00760	1.1
89.02316	21.1
93.03333	5.0
95.01265	3.2
101.02319	13.3
103.03849	1.0
106.04109	8.9
107.04269	1.1
107.04890	4.3
108.02035	1.1
111.00823	0.9
113.02332	12.1
119.03385	5.7
119.04897	1.7
121.02858	1.2
137.02299	0.9
138.03163	2.0
149.02385	0.9
152.01106	0.8
154.06894	0.8
159.08063	2.5
175.11183	2.4
179.03232	0.8
182.02097	1.1
203.07062	1.2
215.14371	3.7
225.12874	2.0
227.14290	5.9
245.08104	1.0
245.15332	3.9
269.04477	0.9
271.13358	12.5
272.13690	1.1
273.15070	1.2
288.13412	1.1
289.14438	100.0
290.14771	7.8
292.18347	0.8
303.15994	6.2
331.15479	35.6
332.15863	3.6
337.28235	0.8
361.16623	3.7
370.14035	1.0
391.17596	11.5
398.02872	0.8
405.79086	0.8
451.19745	56.1
452.19797	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	451.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07369	2.0
56.39973	2.0
59.00984	2.3
59.01250	14.2
70.90900	6.6
72.16447	1.9
90.01086	1.9
95.35561	2.0
121.02839	100.0
121.99837	2.0
123.96880	2.1
146.02307	2.9
198.09143	9.5
199.09380	2.6
245.08177	12.2
323.62558	2.1
452.03741	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	451.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25153	0.7
59.01250	4.4
61.98699	2.4
66.94799	0.7
70.09269	1.4
70.09624	2.8
76.14356	0.7
76.18055	0.9
78.95770	0.9
78.96760	0.7
82.86793	0.8
88.14941	0.7
108.01993	1.1
121.02840	100.0
122.03174	2.9
145.02846	2.4
152.26634	0.7
152.99397	1.2
173.02408	1.6
174.03145	7.5
174.51643	0.7
175.03967	4.3
177.25554	0.7
201.09059	1.4
206.02155	7.5
227.07054	4.5
245.08150	69.2
246.08455	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	451.176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05939	0.3
59.01244	0.5
69.37582	0.9
69.38000	2.3
70.18697	0.4
81.25130	0.3
82.84181	0.3
90.42312	0.4
98.20535	0.5
121.02837	100.0
122.03162	3.1
145.02737	0.4
174.03146	1.8
175.03934	0.8
182.22005	0.3
206.02170	1.3
220.60529	0.4
227.07031	0.7
245.08131	12.9
246.08501	0.8
273.91342	0.3
377.84341	0.4
430.19742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1969
Annotation	Absinthifolide
Peak:m/z	Relative Intensity
57.03323	0.8
58.00460	2.6
59.01250	64.0
60.01571	1.0
61.98689	0.9
69.20031	9.4
71.01251	30.0
72.99187	2.9
73.02813	1.8
75.00723	0.7
83.01273	1.5
85.02815	8.3
87.00760	1.1
89.02316	21.1
93.03333	5.0
95.01265	3.2
101.02319	13.3
103.03849	1.0
106.04109	8.9
107.04269	1.1
107.04890	4.3
108.02035	1.1
111.00823	0.9
113.02332	12.1
119.03385	5.7
119.04897	1.7
121.02858	1.2
137.02299	0.9
138.03163	2.0
149.02385	0.9
152.01106	0.8
154.06894	0.8
159.08063	2.5
175.11183	2.4
179.03232	0.8
182.02097	1.1
203.07062	1.2
215.14371	3.7
225.12874	2.0
227.14290	5.9
245.08104	1.0
245.15332	3.9
269.04477	0.9
271.13358	12.5
272.13690	1.1
273.15070	1.2
288.13412	1.1
289.14438	100.0
290.14771	7.8
292.18347	0.8
303.15994	6.2
331.15479	35.6
332.15863	3.6
337.28235	0.8
361.16623	3.7
370.14035	1.0
391.17596	11.5
398.02872	0.8
405.79086	0.8
451.19745	56.1
452.19797	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	449.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04130	0.9
59.01235	2.5
69.42382	0.7
70.41637	0.7
70.54261	1.7
70.54649	1.5
78.95779	5.2
83.71975	0.7
110.98437	3.7
167.01134	1.3
185.02090	3.3
281.24844	100.0
282.25192	9.8
301.41275	0.8
343.93881	0.8
449.26624	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	450.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	32.2
60.01578	1.8
60.64218	0.7
61.98699	100.0
67.75386	0.7
71.01257	9.4
72.01584	1.0
72.99184	0.7
73.02826	2.9
75.75957	0.7
83.01266	1.4
85.02813	4.0
89.02327	3.1
93.03331	1.5
99.00791	0.8
101.02319	5.9
103.03895	0.8
105.89268	0.7
108.02061	1.3
110.63321	0.7
113.01603	0.7
113.02325	3.4
119.03391	0.9
119.04873	0.9
122.06011	5.6
124.17446	0.8
125.02322	1.6
131.03624	1.4
132.04442	2.5
135.00751	0.8
137.02362	2.4
148.04008	1.0
149.99535	1.1
151.00345	0.7
152.01111	1.2
152.07074	13.2
153.01759	1.3
158.02357	1.0
159.03163	1.2
160.03992	0.7
161.04375	1.5
162.01814	0.9
168.00575	2.1
190.04977	6.3
202.05028	0.8
222.07663	4.9
222.43498	0.7
227.16382	0.9
228.10394	1.0
260.54230	0.7
289.14499	1.6
297.12753	0.7
331.06873	1.0
387.15573	21.5
388.16232	2.1
389.21957	1.5
390.22018	4.1
407.22858	6.4
408.23193	9.7
408.28186	0.9
449.23337	4.6
450.18683	2.9
450.24298	12.3
451.08737	4.6
451.19730	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	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.8
55.37206	0.5
57.03316	1.6
59.01248	100.0
60.01581	1.7
61.98700	2.3
62.56954	0.5
69.51048	1.3
69.51460	3.0
71.01250	20.8
72.99173	1.0
73.02817	6.7
75.00763	1.3
79.95599	0.6
83.01263	3.2
83.04873	0.7
85.02823	9.8
87.00739	3.3
87.04372	0.7
89.02309	7.4
93.03338	1.3
95.01279	1.8
96.95888	1.5
98.20673	0.6
99.00777	2.3
99.04365	0.7
101.02319	13.4
103.03912	1.5
107.01266	0.8
108.02078	1.2
109.02775	0.6
111.00786	1.3
113.02328	9.7
113.11796	0.7
119.03397	4.0
119.04926	0.6
121.02779	0.9
123.04404	0.9
125.02351	1.2
135.04433	1.3
137.02422	1.4
143.03427	2.1
151.00308	2.4
151.11392	0.6
152.01065	0.9
153.09175	0.8
159.02953	1.1
161.04465	11.9
167.14305	0.6
179.05544	0.7
193.04994	0.6
201.11229	0.8
207.13806	0.8
209.11914	0.8
225.14917	0.9
227.16628	2.1
245.04660	0.6
245.17435	0.8
255.03093	0.7
269.14017	2.6
284.03384	1.1
285.03964	2.3
286.04190	2.6
287.05286	3.6
287.18738	0.7
299.18735	2.3
329.16147	0.8
347.16992	1.3
367.07568	1.0
367.57489	0.8
389.16849	1.4
389.21796	26.5
390.22314	2.9
407.23038	2.2
449.10437	4.8
449.19327	6.6
450.10495	0.6
450.20898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12725	1.2
59.01249	100.0
61.01672	1.5
62.67937	1.3
71.01245	13.5
71.16826	3.0
73.02822	7.7
75.00741	5.3
83.01245	2.5
85.02818	7.8
87.00764	1.5
89.02319	6.3
93.03312	4.1
101.02310	12.9
101.97876	1.3
103.03856	3.3
111.00762	1.4
113.02316	5.9
119.03376	2.0
123.04420	3.9
124.25931	1.2
125.02366	1.8
137.02298	2.8
148.70721	1.2
161.04424	4.8
167.10672	2.4
185.11720	2.4
265.09253	2.8
269.04660	1.5
329.15939	3.8
347.17007	4.7
389.17957	3.3
439.74152	1.7
449.10648	7.0
449.20328	8.0
450.13940	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2392
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
55.01754	1.3
57.03318	2.5
58.00462	0.8
59.01250	100.0
60.01597	1.3
61.98700	31.6
64.07317	0.5
67.01765	0.8
70.06596	0.8
70.06994	2.1
71.00855	1.0
71.01249	19.5
72.99178	2.3
73.02814	7.8
75.00765	1.0
77.97746	0.6
83.01254	5.0
85.02818	11.3
85.03297	1.0
85.47268	0.6
87.00762	1.3
89.02316	7.3
93.03345	2.3
95.01270	1.8
99.00757	2.8
101.02323	17.7
103.03889	1.7
106.04118	1.2
108.02063	1.2
111.00721	1.8
113.02331	7.1
116.92699	0.9
119.03388	2.6
121.02856	2.5
122.05997	1.9
125.02368	1.0
131.03641	1.1
132.04451	0.9
134.03613	1.0
135.04387	0.8
137.02312	0.7
143.03392	0.8
147.33066	0.5
152.07054	4.7
159.02988	1.7
159.08054	0.9
161.04376	3.3
161.09619	1.5
169.12239	2.2
171.08086	0.7
173.04500	1.6
181.15875	0.9
187.07457	0.9
190.04962	2.0
199.16869	0.8
201.05547	0.7
205.08630	2.0
211.17271	0.6
222.07591	1.9
227.16467	9.0
243.10155	0.9
245.17564	1.5
256.53214	0.7
261.07620	2.0
275.09326	1.4
287.12500	1.4
287.22156	1.0
300.35526	0.7
305.13779	0.8
361.22168	2.3
387.15564	8.1
389.21765	20.1
390.22003	1.4
407.22830	61.2
408.23080	5.6
449.18213	10.6
449.23779	74.0
450.18661	1.4
450.24048	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17500	0.7
57.03331	0.9
59.01248	33.0
59.51610	0.6
60.01587	1.5
61.01683	0.7
61.36818	0.7
61.98700	100.0
62.98452	0.7
64.14417	0.6
64.65691	0.6
65.00185	1.2
69.51681	5.1
71.01248	6.1
73.02827	2.3
83.01270	2.0
85.02834	2.6
87.00758	1.0
89.02317	3.2
93.03371	1.3
97.02839	0.8
98.20535	1.3
99.00797	0.6
101.02332	4.3
107.01269	1.8
108.91705	0.8
113.02345	3.3
117.03299	0.8
119.03385	2.0
125.02374	2.6
151.00256	5.2
154.07080	0.8
159.04395	0.9
161.02368	2.1
161.04510	1.3
175.00334	0.8
201.05513	1.3
245.04520	15.2
259.06226	1.4
269.04633	3.1
287.05670	3.7
329.06509	0.7
388.20685	1.5
389.21906	0.9
406.21661	5.5
406.85468	0.8
407.22153	0.9
409.45703	0.8
448.22736	2.4
449.11072	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	448.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07594	0.2
59.00953	0.3
59.01246	4.9
60.01570	0.4
61.77061	0.2
66.94331	0.1
71.01234	0.4
71.52999	0.2
73.02798	0.1
81.62212	0.1
85.02813	0.4
86.49974	0.2
93.03333	0.2
101.02292	0.3
142.77089	0.1
143.95564	0.1
161.04440	0.2
168.72479	0.1
184.58176	0.2
197.34918	0.2
201.01791	0.2
210.08299	0.2
228.02982	2.2
234.25876	0.2
236.27150	0.2
236.76971	0.2
255.01677	2.4
256.02484	25.2
257.02777	1.3
270.01062	0.3
270.04059	7.6
271.04837	52.5
272.05191	3.2
285.03708	0.3
285.06454	2.3
286.07190	100.0
287.07516	6.5
287.12363	0.2
328.18039	0.2
346.19330	0.3
448.12469	17.0
449.12805	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	448.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97813	0.5
57.03288	0.5
59.01252	11.3
60.01558	0.5
61.98674	2.2
65.02125	0.4
69.51389	3.0
71.01244	3.1
72.99160	0.8
73.02797	1.4
74.06913	0.5
78.94179	0.5
82.61639	0.5
83.01230	0.9
85.02802	1.1
87.00736	0.6
89.02256	1.1
93.03339	1.3
98.10826	0.5
99.00698	0.6
101.02289	1.7
102.05498	0.5
103.03851	0.8
107.01212	0.6
109.02819	0.7
111.00744	1.2
113.02321	1.4
121.02795	1.0
123.04397	0.5
125.02325	0.5
134.03593	0.7
137.02351	2.4
142.41431	0.5
151.46846	0.5
163.03838	0.8
167.03383	2.2
173.09592	1.4
199.02583	0.7
205.03464	0.7
211.13226	0.5
217.08540	1.1
227.02116	4.9
228.02910	0.9
241.03810	1.3
242.04497	0.9
245.08096	0.6
255.01680	35.3
256.02368	9.0
256.06122	1.2
257.03159	1.6
270.04056	100.0
271.04791	41.3
272.05466	5.5
275.09216	0.7
284.05695	3.4
285.06409	1.2
286.07190	44.6
287.07516	2.5
287.12915	1.8
388.20343	0.7
397.51126	0.5
433.10129	2.8
448.12503	42.8
449.12650	4.3
449.18277	5.1
449.23758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.3
59.01249	100.0
60.01587	0.8
64.38763	0.4
68.92242	0.4
69.33344	0.6
69.33683	4.1
71.01254	12.0
72.99182	0.9
73.02818	8.1
75.00753	0.6
77.50191	0.4
78.95779	0.4
81.03304	0.4
83.01254	2.1
85.02816	3.1
87.00767	0.6
89.02316	4.2
91.33974	0.4
93.03334	0.6
95.01260	0.9
96.96847	0.5
98.02371	1.5
98.20522	0.8
99.00764	0.7
101.02320	9.0
111.00756	0.6
113.02315	3.9
119.03387	1.6
121.02866	0.5
123.04433	1.2
125.90076	0.4
143.03450	0.7
149.04478	0.4
152.01038	0.6
153.01782	0.6
155.03345	0.5
161.04488	2.2
167.03412	4.1
167.10693	0.7
179.05573	1.1
209.04561	0.8
225.15030	0.6
243.16057	0.5
265.09311	0.5
279.85031	0.4
387.20511	1.1
405.21411	5.6
447.09775	0.6
447.15060	3.3
447.22235	2.4
451.01816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50962	0.3
71.44280	0.4
78.95773	4.7
84.86446	0.3
92.07160	0.3
93.00360	0.3
93.19111	0.3
110.98420	4.3
116.55302	0.3
118.32761	0.3
167.01064	1.6
185.02124	3.4
261.22308	0.6
279.23276	100.0
280.20755	0.6
280.23633	9.7
447.25137	5.1
448.25690	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.3
57.03315	0.9
58.00445	0.7
59.01249	100.0
60.01604	0.7
64.74713	0.6
67.09623	0.5
70.93037	1.4
71.01255	19.0
72.99169	0.7
73.02821	6.0
74.02340	0.8
75.00760	0.7
76.06355	0.6
83.01260	3.1
85.02818	6.2
87.00762	0.7
89.02313	8.8
95.01295	1.2
97.02926	0.7
99.00782	2.5
101.02321	13.7
103.03873	0.8
113.02335	8.3
119.03391	3.5
125.02304	0.8
126.55814	0.5
131.03391	1.2
133.57709	0.6
143.03448	2.5
143.04549	0.8
149.04453	1.5
159.02927	1.2
161.04449	11.3
161.05675	0.9
179.05573	3.0
182.94736	0.6
205.03519	0.7
211.13420	2.0
227.03448	6.0
228.04103	0.7
253.09204	0.7
255.02959	8.4
271.04947	1.0
284.03241	5.9
285.04047	2.2
286.07376	1.0
315.18115	5.6
327.18338	1.8
345.19138	7.1
387.20102	2.8
447.09296	7.0
447.22186	5.8
448.10315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01765	2.0
57.03326	2.1
58.00464	0.9
59.01250	65.7
60.01586	0.8
60.11547	0.5
61.98700	2.1
66.63469	0.3
69.03339	1.0
69.31110	0.7
69.31445	3.7
71.01251	30.6
72.99178	1.3
73.02814	16.2
83.01256	7.0
83.04900	0.4
85.02824	10.7
85.06460	4.7
87.00742	3.5
89.02316	9.0
95.01259	2.2
97.02833	0.7
97.06468	1.0
99.00759	5.2
101.02321	22.1
101.46897	0.4
102.58332	0.4
111.04427	0.4
113.02328	11.1
113.09586	0.9
119.03377	3.7
125.02332	0.9
127.11182	0.8
129.01718	0.4
131.03427	0.8
135.04420	0.4
136.05190	0.4
143.03392	1.2
149.04449	0.6
153.12733	0.5
155.14317	14.7
156.14644	0.9
159.02910	0.7
161.04468	3.7
161.66708	0.4
181.12274	1.1
181.15884	4.9
199.13327	23.8
200.13718	0.9
205.42368	0.4
225.14908	6.6
226.15332	0.4
227.03497	1.2
238.67264	0.4
253.14534	0.5
255.03015	1.5
271.04755	0.5
284.03275	1.1
285.04160	0.7
345.19113	0.8
369.19281	0.7
387.20224	20.5
388.20517	1.7
405.21268	28.9
406.21805	2.2
429.21497	0.5
430.74878	0.4
447.22321	100.0
448.22723	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	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84377	0.4
57.03316	0.7
58.99464	0.5
59.01248	100.0
60.01579	1.1
61.98711	0.5
64.76633	0.4
69.03331	0.4
69.33967	4.1
71.01250	11.1
72.99182	0.7
73.02819	9.5
75.00758	0.5
83.01256	3.5
85.02814	3.6
87.00739	0.9
87.04398	1.0
89.02315	2.8
93.03320	0.7
95.01278	0.5
99.00768	1.2
99.47046	0.4
101.02312	11.5
102.98486	2.4
103.03928	0.5
107.01233	0.5
113.02316	4.5
119.03400	1.4
119.04905	0.6
120.99548	1.0
121.02827	0.4
125.02312	0.9
131.03453	0.6
137.09572	0.5
143.03368	1.2
149.04437	1.8
151.00250	0.9
161.04465	3.8
169.11876	0.4
174.05467	0.6
178.87491	0.4
183.13783	1.1
199.07463	0.5
211.03883	0.6
211.13319	9.6
221.06447	0.9
225.03799	0.9
227.01360	0.7
227.03447	10.1
228.03734	0.9
240.02937	1.6
241.03546	4.4
242.04379	11.9
243.04854	12.6
243.15854	1.0
243.19740	0.4
244.05196	0.6
253.09187	0.9
255.02985	12.3
256.02911	2.4
257.04156	0.6
271.04816	4.0
273.18942	3.3
284.03238	8.8
285.03934	4.5
286.04263	0.7
286.07129	4.5
315.17984	0.7
325.07056	0.7
387.19876	1.0
405.21085	1.0
405.28516	0.7
447.09387	15.7
447.21933	7.2
448.09479	2.5
448.22580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05930	0.3
55.01750	0.6
57.03319	0.6
58.00470	0.5
59.01248	100.0
60.01579	1.0
63.49354	0.3
71.01253	9.4
72.99203	0.6
73.02808	3.2
83.01255	2.0
83.04895	0.3
84.64333	0.3
85.02818	3.2
87.00769	1.0
87.04408	0.4
89.02312	5.3
95.01260	1.1
97.02834	0.5
99.00769	0.9
101.02325	7.7
103.03930	0.4
109.64984	0.3
111.00774	0.5
113.02328	4.2
118.34147	0.3
119.03397	2.6
120.45893	0.4
122.06039	0.5
126.31635	0.3
131.03435	0.7
133.02896	0.6
135.04466	0.3
143.03377	0.8
145.73668	0.3
152.07088	0.5
153.01906	0.8
159.03004	0.6
161.04451	3.5
161.05655	0.4
168.04147	0.5
179.05545	1.2
179.32266	0.3
180.06616	1.0
181.06944	0.5
183.06572	0.7
189.12871	0.8
192.06503	0.5
207.13916	0.3
225.14931	0.7
230.04004	0.4
243.15952	1.5
285.04291	0.6
290.20749	0.3
297.04199	0.7
299.05771	0.7
327.05072	2.2
336.37674	0.4
357.06381	1.2
357.14813	0.6
357.28256	0.4
369.45303	0.3
387.20239	4.2
405.21225	4.1
406.21750	0.5
447.09464	1.4
447.22665	3.2
448.23132	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.8
62.96281	1.1
68.69697	0.2
70.41580	0.4
70.41977	0.4
78.95773	35.6
89.40747	0.2
92.04937	0.7
96.96836	2.4
107.61337	0.2
118.22175	0.2
136.03954	2.1
139.52197	0.2
148.99989	18.8
151.01572	0.3
158.92433	1.1
163.90935	0.2
179.01065	2.9
195.19698	0.2
205.15887	1.6
211.13300	0.2
225.36058	0.2
231.08958	0.6
240.96669	0.3
267.11469	0.4
285.04330	0.3
347.08347	0.4
417.12396	0.9
431.10419	2.6
432.10419	0.4
447.13394	100.0
448.13715	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	447.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.5
59.01247	100.0
60.01590	0.8
60.73454	0.3
64.00279	0.3
66.45616	0.3
69.33899	0.7
69.34309	2.2
71.01249	8.1
71.01620	0.6
72.99183	0.4
73.02821	3.8
74.03159	0.5
75.00723	0.3
76.68332	0.3
82.96269	0.3
83.01249	0.9
85.02811	3.0
87.00783	0.9
87.04391	0.8
89.02319	3.9
89.51476	0.3
93.03325	0.4
95.01272	0.7
97.02886	0.4
99.00765	0.7
101.02311	5.2
101.02912	0.4
103.03899	0.6
105.49001	0.3
113.02319	3.5
117.89456	0.3
117.93881	0.4
119.03394	1.0
121.02841	0.6
125.02381	0.6
137.02382	0.5
143.03418	0.6
147.60089	0.3
149.02332	0.8
153.01839	5.7
161.04436	2.6
163.16444	0.4
164.04761	0.5
168.04195	6.8
178.04520	0.3
179.05574	0.8
183.06549	6.0
192.06601	0.5
223.06116	0.5
225.14905	0.6
227.03458	0.6
254.53862	0.3
255.03029	0.4
265.09320	0.8
284.03323	0.6
285.17181	0.4
327.05194	0.5
357.14737	1.0
387.20270	3.4
405.21356	1.5
447.18286	1.0
447.23352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.6
57.03317	0.8
58.00487	1.0
59.01249	64.4
63.02272	1.2
65.00182	0.5
71.01251	10.3
71.52644	0.9
72.99174	0.7
73.02811	5.0
83.01264	2.8
85.02811	3.5
85.58704	0.5
87.00760	1.4
89.02319	5.9
92.01801	0.5
93.03352	0.8
96.95866	0.9
99.00771	0.7
99.04391	0.8
101.02328	7.0
103.03868	1.2
107.01235	2.7
113.02327	3.6
119.03379	2.5
121.02828	1.1
123.04403	0.5
133.02829	4.5
134.03593	0.6
134.42805	0.6
143.03400	0.9
149.02347	2.2
149.99397	0.6
151.00285	5.3
161.04483	3.6
175.03943	1.2
179.05527	0.8
187.03897	0.9
195.84296	0.5
199.04002	1.5
211.03903	1.4
212.04671	0.7
216.67357	0.6
217.05103	0.9
225.14940	4.1
227.03467	2.0
241.04991	0.8
243.15970	1.1
255.02995	2.7
256.03711	4.4
269.04330	0.7
280.41672	0.5
283.02634	0.8
284.03259	59.3
285.04025	100.0
286.04416	5.9
297.03949	0.7
314.40131	0.6
327.05118	1.5
365.94955	0.5
367.07471	1.1
387.15826	0.7
387.20282	5.8
405.21088	1.5
447.09277	61.6
448.09589	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.6
57.03317	0.8
58.00487	1.0
59.01249	64.4
63.02272	1.2
65.00182	0.5
71.01251	10.3
71.52644	0.9
72.99174	0.7
73.02811	5.0
83.01264	2.8
85.02811	3.5
85.58704	0.5
87.00760	1.4
89.02319	5.9
92.01801	0.5
93.03352	0.8
96.95866	0.9
99.00771	0.7
99.04391	0.8
101.02328	7.0
103.03868	1.2
107.01235	2.7
113.02327	3.6
119.03379	2.5
121.02828	1.1
123.04403	0.5
133.02829	4.5
134.03593	0.6
134.42805	0.6
143.03400	0.9
149.02347	2.2
149.99397	0.6
151.00285	5.3
161.04483	3.6
175.03943	1.2
179.05527	0.8
187.03897	0.9
195.84296	0.5
199.04002	1.5
211.03903	1.4
212.04671	0.7
216.67357	0.6
217.05103	0.9
225.14940	4.1
227.03467	2.0
241.04991	0.8
243.15970	1.1
255.02995	2.7
256.03711	4.4
269.04330	0.7
280.41672	0.5
283.02634	0.8
284.03259	59.3
285.04025	100.0
286.04416	5.9
297.03949	0.7
314.40131	0.6
327.05118	1.5
365.94955	0.5
367.07471	1.1
387.15826	0.7
387.20282	5.8
405.21088	1.5
447.09277	61.6
448.09589	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	447.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01993	0.1
59.01250	6.6
63.02277	0.2
65.00211	0.3
69.59818	0.9
71.04857	0.1
72.99176	0.2
73.02801	0.9
82.95924	0.1
83.01279	0.7
83.86891	0.1
85.02811	0.5
89.02319	0.8
91.01765	0.1
93.03349	0.4
95.01262	0.2
101.02344	1.0
107.01266	0.6
111.00745	0.2
113.02341	0.8
117.03301	0.2
119.03383	0.2
119.04947	0.2
125.02360	0.6
125.09614	0.3
129.88536	0.1
132.02054	0.3
135.00772	0.4
137.02290	0.1
143.03441	0.3
143.04898	0.3
145.02907	0.2
151.00270	1.9
151.49300	0.1
153.01802	0.2
156.05743	0.1
159.04428	0.3
161.04472	0.6
163.00323	0.7
165.01854	0.2
167.04971	0.2
168.30135	0.1
169.01312	0.3
169.06525	0.2
174.03105	0.4
178.99794	0.5
182.03654	0.2
183.04468	1.0
185.06036	0.5
187.03831	0.7
193.01453	0.1
195.04477	0.2
197.05986	0.2
199.03931	0.2
211.03932	1.6
212.04660	0.2
213.05508	0.4
214.02588	0.2
216.66280	0.2
225.14854	0.3
227.03444	59.1
228.03815	3.1
229.05003	1.8
239.03532	0.7
240.04141	0.2
241.05040	0.4
243.02995	0.2
243.15987	0.2
255.02957	77.2
256.03546	10.2
257.04413	1.2
269.04678	0.2
283.02509	0.5
283.05884	0.2
284.03247	63.9
285.03973	27.6
286.04373	1.7
299.05490	0.3
327.05072	1.5
387.20261	0.7
405.21469	0.7
447.09280	100.0
448.09647	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	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21463	0.6
51.76161	0.6
57.11959	0.5
59.01249	100.0
60.01578	1.1
61.47417	0.6
61.98700	1.4
69.20823	1.4
69.21226	5.6
91.03876	3.3
92.04984	0.6
96.95934	0.8
129.09160	0.6
150.19189	0.6
188.49321	0.6
211.13327	1.8
218.97621	0.6
239.90086	0.7
293.21262	1.2
299.08398	0.9
311.22250	12.8
312.22791	1.2
445.24643	1.3
445.29892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01621	0.6
59.01247	100.0
60.01583	1.0
61.98683	1.1
70.63456	0.8
70.63775	1.3
71.01239	1.0
79.95592	0.7
87.88473	0.8
91.03899	2.9
96.95892	2.5
120.00314	0.6
121.02959	1.0
122.96789	0.6
129.09169	0.7
199.13234	0.7
211.13362	2.7
217.77182	0.7
237.96191	0.7
293.07092	0.9
293.21167	0.9
311.22250	12.3
312.22821	1.3
332.57919	0.7
362.11734	0.7
383.74741	0.8
394.62424	0.8
445.19269	2.1
445.33328	22.0
446.20270	0.7
446.33667	1.9
447.16837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47986	0.3
59.01249	3.8
61.98699	100.0
69.76675	1.7
71.01256	0.9
78.48131	0.4
89.02341	0.4
92.04961	0.4
101.02339	0.6
119.04918	0.4
122.22538	0.3
134.69551	0.3
198.09140	0.6
227.03439	0.6
247.09560	0.3
247.71675	0.3
255.02888	0.8
284.03345	1.2
285.04004	0.5
387.20349	0.4
446.22861	0.4
446.29895	0.6
447.09717	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.6
66.76596	0.3
68.51616	0.3
70.84962	0.8
71.01253	0.5
78.95769	6.0
104.97311	0.3
106.75779	0.3
110.98411	4.7
117.46257	0.3
125.24651	0.3
142.24672	0.3
167.01089	1.7
185.02109	4.5
253.34087	0.3
275.20023	0.8
277.21695	100.0
278.22073	7.8
355.01111	0.4
445.23508	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	445.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33072	1.3
59.01250	100.0
61.98713	8.6
64.41143	1.3
65.00195	1.5
70.60345	1.5
70.78770	3.1
71.01242	5.4
79.95590	6.7
87.32066	1.3
89.02352	1.8
91.03900	3.3
95.01285	2.4
96.95878	22.3
119.04868	1.6
120.12802	1.5
121.02862	2.2
157.06503	6.4
160.61986	1.4
173.06018	1.6
175.07492	4.1
193.05316	2.7
198.09142	2.8
201.05521	9.5
202.06180	5.0
219.06593	11.4
228.06657	2.2
246.07677	24.5
247.07957	2.4
273.19601	1.5
286.96121	1.6
306.28619	1.6
311.22214	17.4
312.07486	2.2
312.22504	2.7
399.60483	1.7
400.15298	2.2
445.18399	17.0
445.29465	5.9
446.18790	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	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
57.03315	1.9
59.01249	100.0
60.01576	1.4
69.03324	5.2
70.90005	0.3
71.00853	0.5
71.01250	9.6
71.04906	0.3
71.29220	0.5
72.99208	0.5
73.02815	4.7
75.00739	0.6
83.01255	2.1
83.04873	0.6
85.02811	4.5
87.00768	0.9
87.04362	1.6
89.02312	5.1
93.03326	0.3
93.90740	0.3
95.01272	0.6
97.02850	0.9
99.00772	0.9
101.02320	8.4
104.39832	0.3
109.02872	0.4
111.00757	0.4
111.04384	1.4
113.02324	6.1
119.03410	1.6
123.04478	0.4
123.08044	0.3
125.02361	0.4
135.04436	0.5
137.02361	0.4
138.06773	2.8
143.03433	0.7
147.08112	0.4
151.07562	0.5
153.05508	0.4
153.09113	8.0
153.10286	0.6
161.04474	3.4
163.11192	0.9
179.05539	0.8
181.08687	0.3
181.12280	0.4
205.12265	3.7
211.13286	0.5
223.13330	4.1
225.14912	0.6
231.08691	4.2
241.14409	21.8
242.14748	1.7
255.03035	0.8
265.14429	0.5
276.75998	0.3
283.02563	0.6
327.08691	0.3
367.17294	0.5
385.18762	2.4
386.19189	0.5
403.19958	0.4
403.76944	0.3
441.04102	0.3
445.11847	0.4
445.21222	1.4
448.30026	0.3
465.80655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38451	0.6
55.01751	2.1
55.27917	0.5
57.03318	5.5
58.00467	1.5
59.01250	100.0
60.01565	1.2
66.18322	0.5
69.03326	17.8
69.45366	4.6
71.01250	29.4
71.04874	0.8
71.64342	0.5
72.01620	1.0
72.78061	0.5
72.99187	3.0
73.02819	21.2
75.00754	3.2
75.17444	0.5
81.03312	0.8
83.01257	7.1
83.04906	1.5
84.12836	0.6
85.02821	13.7
87.00746	70.1
87.04382	4.6
88.01055	1.0
89.02313	11.7
93.03336	1.7
95.01260	2.0
95.04913	2.0
95.22252	0.5
97.02837	2.9
99.00743	2.8
99.04391	3.3
101.02322	29.1
103.00237	1.6
107.04887	1.3
108.02066	0.8
109.02831	4.0
109.06470	1.3
111.00770	2.6
111.04408	4.0
113.02332	12.7
113.05978	1.1
119.03384	8.0
121.02802	0.9
123.04430	5.0
125.02374	0.9
125.05976	1.8
127.07547	0.7
129.01811	2.7
131.03384	0.8
135.04362	1.0
137.05952	1.2
138.06749	11.6
141.01849	2.3
143.03403	2.6
149.04465	1.7
151.07489	0.7
153.05502	1.4
153.09109	33.7
154.09435	1.5
159.02898	1.8
161.04442	4.4
163.11139	0.7
165.05431	1.0
165.09155	1.0
179.05502	0.7
193.12299	0.7
197.04485	3.4
201.03918	1.0
205.12256	2.5
223.13298	3.0
231.08682	2.0
235.08202	1.3
240.13622	2.4
241.14417	53.1
242.14674	3.1
243.15994	8.8
244.16306	0.8
248.61722	0.6
265.14569	3.2
265.16946	0.6
271.46738	0.5
279.16052	5.3
283.15485	1.6
295.15515	0.9
307.15219	1.0
313.16486	4.6
325.16498	1.0
336.68570	0.6
367.18170	0.6
385.18671	26.3
386.19064	3.0
403.19727	26.1
403.25214	0.8
404.20151	3.6
445.20703	36.0
446.21161	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	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.3
57.03329	0.9
59.01249	100.0
60.01590	1.1
61.98694	0.4
69.03331	0.7
69.32871	2.8
71.01252	8.5
71.04893	0.4
72.99194	0.6
73.02819	6.4
83.01258	2.7
85.02818	4.2
87.00746	1.0
87.04379	1.4
89.02306	2.9
93.03333	0.4
95.01240	0.5
97.02798	0.7
98.02318	0.3
99.00744	0.5
99.04426	0.5
101.02320	8.4
102.98528	0.3
103.03878	5.1
108.02064	0.4
109.02837	0.4
111.00786	0.8
113.02332	4.4
119.03402	1.0
119.04943	0.9
121.02836	1.0
125.02357	0.9
131.03383	0.4
135.08096	0.9
137.02432	0.4
137.09602	0.4
142.33640	0.3
143.03458	0.7
144.22514	0.3
149.04492	1.0
151.00256	1.5
151.11253	0.3
153.09138	5.5
153.10306	0.6
154.09465	0.4
155.03648	0.3
160.03931	0.5
161.04483	2.8
163.00624	0.4
163.03943	0.5
163.11256	0.4
167.10628	0.6
177.09195	0.4
179.07085	0.3
181.08621	0.9
195.10214	0.9
197.08147	2.2
205.12334	0.4
223.13393	1.1
239.09293	0.5
241.14392	0.5
265.09332	2.6
269.04401	0.3
273.69714	0.3
282.05359	2.1
283.02380	0.3
283.05872	0.4
297.07782	0.7
299.11505	0.6
325.07205	2.4
359.13745	0.5
385.18524	0.7
401.18063	5.0
402.18546	0.5
403.19806	0.9
445.11380	1.3
445.17233	5.8
445.22791	2.1
446.11679	0.6
446.17767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.0
57.03321	6.3
58.00467	1.0
59.01250	82.5
60.01587	0.8
69.03323	21.6
70.03677	0.5
71.01249	12.3
71.29657	0.6
72.99174	0.6
73.02818	11.8
74.69214	0.3
75.00771	0.4
81.03339	0.5
83.01257	3.0
83.04885	0.4
85.02823	4.7
86.22163	0.3
87.00758	1.0
87.04388	4.7
89.02320	4.2
93.03334	0.8
95.01267	1.0
95.04930	1.1
97.02805	1.7
97.06469	0.4
97.28004	0.3
99.00758	0.8
99.04395	0.3
101.02320	13.7
104.88712	0.3
105.04549	0.3
105.37746	0.3
109.06466	1.0
111.04410	1.3
113.02327	5.3
114.55018	0.3
119.03420	1.9
119.04932	0.3
121.02869	0.7
121.73435	0.3
122.03654	0.4
122.20731	0.3
123.04422	0.3
123.08043	0.7
125.02311	0.4
125.05965	0.4
131.03375	0.8
135.08041	1.0
137.02359	0.8
137.06052	0.3
137.09602	0.6
138.06763	10.9
139.07417	0.4
143.03406	1.2
147.08052	0.3
149.04474	0.3
151.03893	2.7
151.07544	0.4
151.11234	0.3
153.05516	0.5
153.09119	23.4
154.09500	0.9
155.10750	0.3
161.04466	4.1
163.11160	1.4
163.53937	0.3
165.09065	0.4
166.81198	0.3
167.07094	0.4
173.80769	0.3
179.05569	0.9
181.12251	0.5
183.13680	0.5
187.11169	0.6
190.09978	0.3
203.05544	0.7
205.12274	5.7
211.13373	0.8
221.06679	0.4
223.13376	4.8
224.13741	0.4
231.08716	3.3
241.14424	100.0
242.14743	5.7
265.14606	0.4
269.03622	0.3
367.17462	0.3
385.18857	1.8
403.20135	0.5
445.13794	0.5
445.20758	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	445.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00491	0.7
58.20823	0.6
59.01247	100.0
60.01586	0.7
61.98697	4.4
69.03337	0.9
71.01247	1.7
71.32368	1.2
73.02824	0.9
77.74346	0.8
78.95765	3.6
82.19344	0.7
85.02847	0.8
89.02327	0.8
96.95884	0.8
98.96561	0.8
108.37599	0.8
113.02399	1.0
121.02853	1.1
146.02400	0.8
149.00000	6.0
161.04419	1.0
191.81807	0.7
205.15894	4.3
285.02948	1.0
301.05542	1.2
316.07901	1.7
327.89713	0.7
355.16742	23.9
356.16992	2.1
361.04095	0.8
385.17816	11.5
385.27542	1.2
386.18616	1.0
396.84723	0.9
397.27374	0.9
445.20273	3.7
445.29495	9.4
446.30148	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.2
57.03320	5.4
58.00486	1.3
59.01250	100.0
60.01582	1.1
69.03326	20.9
71.01256	23.1
71.29472	1.2
71.29811	0.7
72.01613	0.7
72.95041	0.6
72.99171	1.5
73.02819	19.6
75.00769	0.6
81.03338	0.7
83.01253	5.5
85.02824	7.4
87.00767	1.7
87.04388	3.9
89.02311	9.3
95.01299	1.1
95.04914	0.7
95.23665	0.5
97.02837	1.5
99.00775	0.8
101.02323	17.2
101.99646	0.6
109.02856	0.7
109.06515	0.9
111.04425	1.9
113.02335	8.5
119.03385	3.4
119.04931	0.7
121.02898	0.8
123.04462	0.8
123.08073	1.0
125.02378	0.9
128.03493	0.9
135.08054	0.6
137.05981	0.7
138.06772	8.7
141.00098	1.8
143.03435	1.8
143.04491	1.2
149.04468	1.0
153.09125	24.1
154.09518	1.0
161.04489	4.3
163.11281	2.3
173.02762	2.5
179.05568	1.9
181.12306	0.9
203.05565	0.8
205.12309	4.6
223.13422	3.8
231.08800	1.5
241.14420	66.0
242.14798	3.7
272.08994	1.0
335.04248	0.7
385.18896	2.5
403.19901	1.3
445.21100	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.135
Annotation	6-O-Benzoylsucrose
Peak:m/z	Relative Intensity
53.26974	0.6
57.03320	1.0
58.00439	0.7
59.01250	14.2
69.03321	1.5
71.01257	8.0
71.51784	0.6
71.52258	0.9
72.99176	1.3
73.02818	1.3
75.00741	0.7
83.01228	0.7
85.02821	2.7
87.00744	2.6
87.11748	0.6
89.02321	3.4
95.01275	0.7
97.02827	0.7
99.00768	1.0
101.02333	5.1
113.02308	3.4
119.03384	2.4
119.04900	0.9
121.02840	100.0
122.03176	2.5
125.02332	2.1
129.01779	0.7
131.09427	0.6
135.04413	43.3
136.04762	1.7
143.03384	1.7
153.09108	1.1
161.02379	1.0
161.04457	5.7
163.03899	6.1
167.43898	0.7
177.05518	0.7
179.05511	5.9
193.04988	1.2
223.06062	1.6
241.14369	3.3
283.07922	0.6
323.09924	2.4
356.32990	0.7
445.13437	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	445.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.8
57.03324	5.9
58.00459	1.8
58.46993	0.7
59.01248	62.9
65.00188	0.9
68.99654	1.3
69.03307	1.0
71.01250	27.5
72.99162	2.0
73.02441	1.2
73.02818	13.9
75.00744	1.9
83.01249	8.2
85.02824	22.5
87.00763	5.4
87.04401	1.1
89.00200	1.5
89.02317	11.3
91.01760	1.4
93.03307	1.4
95.01254	2.6
97.02812	1.8
98.20532	1.3
99.00759	1.9
99.04403	3.5
101.02324	18.0
103.03889	30.4
103.40603	0.8
106.00452	1.8
107.01225	0.9
109.02819	1.3
109.99962	1.8
111.00778	2.4
113.02320	9.8
118.81275	0.7
119.03381	5.4
121.02838	37.2
122.03197	0.8
123.00771	5.5
123.04382	2.4
123.08025	1.0
125.02335	3.4
125.99460	1.5
127.00235	2.0
135.00749	1.2
136.98697	1.3
137.02344	7.9
137.09587	1.1
137.99469	1.8
138.03111	3.5
139.00258	4.2
139.03889	5.6
141.09088	2.3
143.03384	1.5
145.04942	0.7
149.04469	0.9
151.00204	1.1
151.03935	1.0
152.01001	0.8
153.01837	3.1
153.05475	28.4
153.09035	1.2
153.98985	1.0
154.99725	1.0
155.03368	1.5
161.04474	4.0
165.01826	1.5
165.09099	2.6
166.02675	1.4
166.99750	2.8
167.03413	4.7
168.00572	0.9
169.01300	1.0
180.04195	0.9
181.01338	15.2
182.02129	8.8
182.75067	0.7
183.02867	3.9
194.02042	1.2
195.02757	0.9
196.03712	10.1
197.04480	76.7
198.04774	2.2
201.75592	0.8
205.12259	1.2
209.04510	5.2
211.06073	9.1
215.95816	0.7
221.11610	0.8
221.69116	0.7
223.13377	3.5
224.03191	12.2
225.03876	1.2
239.05573	51.5
239.16423	1.6
240.05933	2.4
241.14354	4.2
247.08176	1.9
265.09296	25.5
269.06693	5.4
281.06595	0.9
284.05411	1.8
299.07648	13.8
311.94904	0.7
341.08792	5.6
359.20905	1.5
385.18698	4.4
401.21753	3.2
403.19534	4.5
413.10800	1.9
430.11072	1.0
445.13507	100.0
445.20303	5.9
446.13879	8.0
446.20178	1.1
469.49503	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	13.8
69.29230	5.9
71.01260	3.0
73.02799	1.8
73.29191	0.6
77.03804	0.7
79.01792	0.7
83.99104	0.5
85.02843	0.8
87.00736	0.6
93.03342	0.6
101.02274	1.4
105.03356	3.0
107.01208	0.8
108.02045	0.8
113.02321	1.3
117.03340	1.2
119.04910	2.2
119.75036	0.5
121.02835	2.0
128.80035	0.5
134.03622	0.7
137.02338	1.3
149.02374	6.3
149.05844	0.7
149.14673	0.5
151.03859	0.6
152.63351	0.5
161.02344	2.0
161.04356	0.6
163.03877	1.4
165.01831	1.2
186.03073	0.7
217.05054	1.0
226.06264	0.6
239.03278	1.0
253.05011	3.9
254.05743	2.4
257.08008	0.7
262.69305	0.6
268.03784	2.0
281.04495	16.4
281.07489	1.1
282.05322	98.1
283.05710	8.7
292.03754	2.1
293.04523	3.0
294.05350	1.1
297.07672	19.9
298.08051	1.7
307.06030	1.6
308.03241	0.6
310.04858	0.8
314.04395	1.3
323.05438	0.8
325.07156	100.0
326.07483	7.7
337.07233	2.5
337.11566	0.6
355.08289	3.9
385.18640	0.8
445.11389	64.4
445.24423	1.9
446.11740	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	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66397	0.3
55.01757	0.4
59.01248	100.0
60.01579	1.3
61.01684	0.7
69.25165	3.2
69.46733	0.3
71.01255	4.2
73.02821	1.7
75.00764	0.4
83.01291	0.7
85.02805	2.3
89.02332	0.7
95.01237	0.4
99.00745	0.4
101.02309	2.7
101.02853	0.3
113.02370	1.0
161.04482	0.9
204.94659	0.3
312.01651	0.3
383.24316	0.5
401.25418	2.9
402.25790	0.5
443.21878	0.5
468.64349	0.3
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
58.11114	0.3
59.01250	100.0
60.01596	1.0
70.85825	0.8
71.01247	4.1
73.02828	1.3
77.97385	0.3
80.32794	0.3
83.01266	0.6
85.02840	1.4
87.00767	0.4
89.02310	2.4
91.70669	0.3
99.00833	0.3
101.02332	2.6
113.02331	1.9
119.03410	0.5
148.02151	0.3
161.04480	0.5
165.09198	0.6
179.10634	0.8
207.10115	0.4
382.06067	0.6
383.24597	0.8
401.25528	1.9
425.08112	1.1
443.09424	0.7
443.19217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83580	2.1
57.79070	1.9
59.01255	13.1
60.04406	2.8
60.24189	1.7
69.03350	2.4
71.01246	7.1
71.04877	3.5
72.04398	4.5
73.02814	25.8
78.95773	8.8
82.28743	2.0
83.04878	5.0
85.02821	27.1
87.04385	42.6
88.03925	4.7
89.83531	2.0
95.04897	4.7
97.02824	2.7
97.06497	2.1
99.04398	11.0
99.05502	1.8
102.05518	5.7
108.04384	2.2
110.98403	7.7
111.04382	3.1
123.04422	2.7
128.06497	2.0
131.07031	19.1
141.05450	2.5
143.05934	4.4
143.07034	82.7
155.06982	11.2
160.09692	5.0
167.01053	7.5
173.08093	9.9
185.02138	2.3
223.20543	4.4
225.22176	78.2
226.22491	4.6
229.37767	2.2
253.21761	7.6
266.24960	4.8
270.24377	27.3
270.91296	2.3
271.22717	41.2
277.21732	66.9
278.24963	2.6
296.25891	2.9
312.25470	9.1
314.27081	11.6
326.27072	15.8
359.15152	4.7
360.15570	20.6
361.15430	3.3
394.29596	2.6
426.32162	2.4
428.21924	13.4
444.33240	100.0
445.23526	7.7
445.33405	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	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96330	0.5
56.59106	0.5
57.51615	0.5
59.01249	100.0
60.01571	0.8
61.98700	2.9
66.14525	0.5
69.38711	0.5
71.52425	0.8
89.02329	0.6
91.03901	1.6
97.31002	0.5
109.06483	0.7
111.08072	1.7
115.67026	0.5
116.72465	0.6
127.62490	0.6
145.02849	0.9
165.79126	0.5
180.08093	0.5
185.06192	0.5
197.11800	5.0
198.09167	4.3
207.10121	0.7
235.40004	0.6
240.06723	0.9
247.20674	0.5
291.19540	3.1
309.20657	7.1
386.10724	0.7
443.21210	1.5
444.14066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15540	0.6
54.16896	0.7
59.01249	100.0
60.01585	0.8
61.98695	1.0
70.91007	1.7
73.10831	0.7
75.57234	0.5
79.70957	0.5
91.03885	3.3
96.95892	0.9
111.08031	1.6
121.02837	0.8
122.81405	0.6
135.87695	0.6
163.79695	0.6
197.11780	6.2
211.13269	0.8
291.19647	3.7
309.20670	9.4
310.21136	0.7
324.51877	0.7
443.21555	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50174	0.5
59.01249	100.0
60.01569	0.8
66.95731	0.5
97.32751	0.5
114.28938	0.4
120.14435	0.5
134.78728	0.5
209.11931	0.8
229.17221	0.6
257.03375	0.6
291.19766	2.1
300.05261	1.2
301.50833	0.7
309.20746	3.7
315.07602	1.0
341.11057	0.6
399.21646	0.6
413.30334	0.8
443.31827	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84950	0.5
57.03331	0.5
58.05026	0.4
58.99269	0.4
59.01248	100.0
60.01583	1.4
61.98700	0.7
63.66841	0.4
66.68638	0.4
70.09758	2.1
71.01252	4.1
73.02823	1.0
78.21278	0.5
83.01271	0.8
85.02811	2.3
89.02308	2.6
95.01249	0.5
99.00778	0.6
100.83669	0.5
101.02302	3.1
113.02334	2.6
119.03399	1.0
161.04483	0.7
179.05615	0.5
243.06606	0.9
244.07040	0.7
336.72913	0.5
336.77396	0.5
401.25381	1.3
436.64709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.4
59.01249	100.0
60.01580	0.9
61.98704	1.9
71.01254	3.3
71.22388	0.5
73.02824	1.1
83.01289	0.8
85.02814	1.9
85.61478	0.3
87.00793	0.4
89.02315	1.4
95.01257	0.3
99.00771	0.4
101.02332	2.2
113.02340	2.6
119.03360	0.6
161.04524	0.9
167.26878	0.3
215.50841	0.3
245.08195	0.6
266.68854	0.3
281.25021	0.3
383.24384	1.1
386.79089	0.3
401.25452	3.0
444.18170	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90541	0.7
57.03313	2.6
59.01248	12.6
61.98700	1.1
69.03315	2.3
71.01247	29.5
71.52596	1.0
72.99176	9.2
73.02802	2.6
80.62857	0.7
82.95409	0.6
83.01265	1.7
85.02823	10.5
89.02322	1.3
97.02807	1.3
97.06472	1.1
101.02321	1.7
115.00240	8.4
119.03333	0.7
122.62053	0.8
125.09521	1.7
127.11211	1.0
133.01338	2.0
137.09596	3.5
142.67085	0.7
171.10178	26.0
172.10536	1.2
179.14345	1.9
183.13829	1.1
201.11229	1.0
211.13329	7.2
221.15352	4.0
229.14362	4.3
239.12845	1.2
239.16505	6.8
252.67332	0.8
291.19675	2.4
327.21738	100.0
328.22165	7.2
337.79272	0.8
392.26196	0.8
401.21710	2.2
425.21793	3.0
443.22702	9.0
444.22949	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.192
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01752	1.9
57.03315	1.9
58.00461	1.7
58.39955	0.4
59.01249	28.6
64.13687	0.4
70.89919	1.3
71.01252	24.2
72.07093	0.4
72.99168	2.3
73.02821	3.7
75.00733	0.5
83.01273	3.1
83.04864	0.5
83.99612	0.5
85.02818	10.1
87.00744	1.2
89.02316	13.4
95.01253	2.5
97.02860	0.4
99.00750	1.7
101.02323	17.3
102.87858	0.4
111.00770	0.6
113.02329	8.7
115.02161	0.4
115.91975	0.5
119.03379	6.3
119.04150	0.6
121.06482	0.5
123.08034	0.6
125.02368	0.5
135.54901	0.4
138.19550	0.4
155.54680	0.4
161.04474	1.5
187.02472	0.5
189.12859	1.3
236.44656	0.5
237.15031	1.1
263.09320	0.6
426.18311	0.5
443.19214	100.0
444.19525	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	443.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.4
57.03320	2.4
59.01249	100.0
65.64373	1.1
69.03339	2.1
69.23663	10.2
69.39813	1.2
71.01249	30.3
72.99168	2.4
73.02818	38.0
75.00764	1.4
81.03317	2.3
83.01266	7.8
83.04906	1.6
85.02822	9.8
87.00728	5.1
89.02316	6.8
89.22791	1.3
95.01273	5.2
95.04910	1.7
97.02830	8.8
99.00726	1.2
99.54836	1.4
101.02316	32.4
103.88908	1.1
108.01365	1.3
108.02029	4.2
109.02819	2.7
111.00706	1.5
111.04407	1.7
113.02322	10.6
119.03371	3.2
119.04885	1.6
121.02853	2.6
121.06525	2.1
123.00765	8.2
123.04396	12.5
123.07954	1.7
124.01581	1.2
125.02339	2.8
131.03369	1.6
137.02356	2.2
137.05972	5.9
137.09575	1.6
141.33865	1.1
143.03377	1.8
148.05264	1.2
149.04581	2.3
149.06000	6.8
151.00285	1.8
151.07574	1.5
152.01051	2.4
152.07043	1.7
153.01828	2.2
154.38931	1.4
160.01598	3.9
161.04448	5.5
161.09703	1.8
163.03883	1.6
163.07526	1.6
165.01883	1.1
165.09145	1.7
166.99777	15.3
167.10759	1.9
175.03903	3.7
175.11214	1.5
176.04710	18.9
177.05324	1.6
177.09175	2.5
179.10687	1.9
190.02727	1.4
191.10721	4.1
201.09126	2.6
203.10701	4.5
205.05020	2.8
209.04512	1.6
219.10223	37.8
220.10602	2.3
221.11771	83.3
222.12013	4.1
223.06064	1.8
239.12868	2.5
245.08136	11.5
263.09207	13.6
264.09775	1.6
281.10297	58.2
282.10626	2.7
304.34586	1.3
309.14508	1.9
330.05878	2.6
363.64993	1.5
425.19586	1.3
443.14368	5.9
443.19617	5.6
457.64163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.1
55.05416	0.5
57.03312	1.9
58.00459	1.3
59.01249	52.0
63.57034	0.5
67.01756	1.0
69.03323	2.0
71.01252	23.9
71.52414	0.8
72.99171	1.8
73.02818	22.1
75.00732	3.7
81.03322	1.8
83.01256	8.2
85.02821	6.7
87.00749	3.6
89.02316	6.5
93.03337	2.9
95.01279	1.4
95.04889	1.0
97.02826	6.0
99.00759	0.9
99.04351	0.9
101.02321	22.0
103.03875	3.9
107.04897	1.9
108.02044	1.0
109.02840	2.1
111.00733	1.3
111.04382	1.9
113.02324	7.2
117.03365	1.2
119.03371	3.2
119.04904	1.8
121.02836	1.7
122.03592	0.9
123.04409	9.9
125.02365	0.7
129.01843	1.1
131.03358	1.7
134.03590	0.9
135.04399	2.0
137.02351	5.1
137.05971	4.6
137.09662	1.0
143.03407	1.5
145.02826	2.5
147.04431	0.6
149.02359	4.4
149.04417	1.5
149.05948	0.6
150.03099	1.5
151.03902	5.0
151.07545	3.3
151.11195	0.7
161.02444	0.6
161.04468	3.2
161.05992	2.0
163.03915	2.1
163.07544	0.8
164.04706	2.6
165.05423	1.6
167.10680	4.2
175.00253	0.7
175.03838	0.7
176.01071	0.5
176.04683	1.4
177.03949	1.6
177.05437	0.6
179.07045	0.6
179.10603	1.2
187.03967	0.6
189.09145	0.7
190.02669	2.1
191.10690	9.8
193.04950	2.9
195.06473	0.7
203.10687	2.7
205.04985	2.4
206.09415	0.9
219.10193	1.4
221.11777	100.0
222.12076	5.6
223.06064	4.5
236.10280	0.6
237.06061	6.3
237.11334	1.3
239.12790	1.1
253.07253	1.5
262.57339	0.6
263.09247	4.1
265.09320	5.1
280.09433	0.9
281.10349	9.4
285.99149	0.6
291.08713	0.9
327.08640	1.4
339.10822	0.8
365.16138	1.1
383.09906	1.4
383.17004	2.0
399.12878	3.2
401.18088	0.7
425.18143	2.1
443.11807	5.6
443.19275	5.4
444.11594	0.6
444.20105	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.1
57.03334	0.2
59.01249	7.0
60.22073	0.1
66.62753	0.1
68.99660	0.2
69.03320	0.2
69.51836	0.9
71.01251	1.3
73.02824	0.7
75.00745	0.3
78.88280	0.2
83.01244	0.4
85.02820	1.1
87.00755	0.2
89.02306	0.5
93.03331	0.4
93.06966	0.7
95.04881	0.4
101.02321	1.1
105.06979	0.2
108.02040	2.1
109.02843	1.4
111.00771	0.2
113.02322	0.8
119.03363	0.2
119.04910	0.3
121.02839	2.0
121.06535	0.2
123.04451	0.1
129.01881	0.3
133.02797	0.2
135.04419	0.2
135.07985	0.2
137.02351	2.3
137.05980	13.0
138.06328	0.4
146.07260	0.3
147.04413	0.3
149.02361	1.3
149.05968	2.3
150.03033	0.2
150.06340	0.2
151.07585	0.3
152.01071	1.5
153.01808	0.5
161.02353	0.5
161.04642	0.2
161.05960	1.9
163.03918	3.7
163.07550	0.2
165.05478	43.7
166.05807	2.0
173.09552	0.2
175.03914	0.3
175.11259	0.7
176.04707	6.5
177.05447	0.9
177.09138	0.5
181.04971	1.4
191.03421	9.9
191.10707	1.0
192.03749	0.5
201.09187	1.1
203.07088	0.5
203.10712	0.4
205.03343	0.2
205.05057	0.6
207.10258	0.4
209.04488	12.2
210.04770	0.5
219.10214	7.9
220.10583	0.5
221.08177	0.2
221.11781	0.8
223.16049	0.2
235.09682	0.2
237.11261	6.6
238.11545	0.4
239.12981	0.2
245.08102	1.1
263.09229	10.9
264.09576	0.7
281.10291	100.0
282.10623	6.9
334.99600	0.1
368.09872	0.2
379.77313	0.2
383.16953	0.2
401.17865	0.2
443.15894	3.8
444.16196	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92004	0.6
57.03316	1.0
59.01247	19.4
71.01251	12.3
71.04926	0.6
72.74374	0.6
72.99193	1.0
73.02821	5.7
75.00735	0.8
81.70328	0.5
83.01256	1.5
85.02817	6.1
87.00733	0.9
89.02301	3.1
91.01776	1.1
91.05379	0.6
93.03330	5.2
95.01273	1.3
97.02834	0.7
97.06468	0.7
99.00762	1.9
101.02316	8.4
103.03895	1.3
107.04913	8.0
108.02026	0.8
111.00747	0.8
113.02324	4.2
119.01270	5.7
121.02843	4.3
123.00780	0.7
123.04398	1.2
125.02363	0.8
134.03616	1.7
135.04413	3.1
136.01579	1.9
137.02328	9.8
137.09685	0.6
142.05664	0.6
147.00757	6.7
147.04411	0.7
149.02339	10.6
150.03052	1.0
151.03952	1.6
152.01070	2.2
161.04431	2.0
162.03110	1.2
163.03938	3.2
164.04683	9.9
165.01834	1.5
165.05403	1.1
175.00273	34.5
176.00571	1.6
177.01820	0.7
179.03424	6.9
179.07024	1.4
189.02040	0.7
190.02628	87.4
191.02957	3.7
195.10068	0.6
203.05379	0.7
203.10750	0.8
205.04993	100.0
206.05360	4.3
207.02974	1.1
208.03735	1.9
209.04527	4.1
221.11737	2.4
223.06055	16.6
225.71123	0.6
229.62540	0.7
239.05579	4.8
239.12939	0.8
241.14308	0.7
249.44366	0.6
274.20798	0.6
281.10364	0.6
383.09805	0.8
413.10666	1.7
428.13327	2.8
429.13348	0.7
443.15460	90.0
444.15768	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	443.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.4
58.00468	0.6
59.00952	0.9
59.01248	12.7
66.01917	0.4
69.03350	0.5
69.74859	0.3
71.01250	9.5
71.32480	0.7
72.99181	1.3
73.02815	2.2
74.91787	0.4
75.00742	68.4
76.01074	1.0
83.01251	1.2
85.02819	2.6
87.00749	1.1
89.02312	5.3
90.98448	0.6
91.01774	0.4
93.03329	0.8
95.01243	0.4
99.00750	1.2
101.02323	6.8
103.03887	0.4
107.04886	0.6
109.02792	0.4
113.02331	3.4
117.01812	1.8
119.01281	1.0
119.03361	1.7
119.04928	1.0
120.77723	0.3
121.02835	2.4
129.01828	0.9
131.03368	0.5
133.02991	0.5
135.04445	0.9
137.02304	0.7
147.00703	0.6
147.04370	1.1
149.02341	14.4
150.02913	0.6
151.03917	0.5
151.76462	0.3
157.29654	0.4
161.04413	0.5
163.03969	1.7
164.03291	0.7
164.04691	13.1
165.05377	1.1
175.00290	7.5
176.01056	4.5
177.04054	0.5
179.07042	1.5
179.10641	0.7
190.02631	20.2
191.03412	7.5
192.61404	0.4
205.04994	23.5
206.05499	1.8
207.02609	0.4
208.03664	1.1
209.04559	0.9
219.05028	1.9
221.08191	0.9
221.11748	1.1
223.03842	0.5
223.06062	11.1
237.06105	100.0
238.06435	3.4
263.09219	0.5
265.07089	1.1
265.09494	0.5
266.09515	0.5
281.10217	2.9
325.09335	0.5
347.33292	0.4
367.10364	1.3
399.53220	0.4
410.81503	0.3
443.11832	43.1
444.12076	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	441.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01561	2.1
61.98711	4.0
67.01762	3.3
69.24986	7.7
69.25413	10.4
191.14291	5.4
211.29727	2.5
216.49849	1.8
259.20551	2.1
279.23245	5.8
331.22409	2.7
410.63397	1.6
425.72064	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	0.5
59.00952	0.8
59.01245	12.7
60.80750	0.4
67.01752	0.4
71.01248	9.7
72.18252	0.3
72.99181	1.3
73.02814	2.2
75.00742	67.2
76.01093	0.6
83.01268	1.4
85.02802	2.6
87.00749	1.3
89.02316	5.0
90.98483	0.7
93.03333	1.1
95.01324	0.4
98.20581	0.8
99.00759	0.9
101.02323	6.5
103.03870	0.4
104.94666	0.4
111.00765	0.4
113.02330	3.2
117.01807	1.5
117.03371	0.4
119.01273	1.0
119.03387	1.4
119.04896	1.1
121.02834	2.8
123.04356	0.6
129.01860	0.8
135.04391	0.6
136.84360	0.3
137.02264	0.6
147.00792	1.2
147.04439	0.9
149.02356	17.3
149.05891	0.4
149.12054	0.4
150.02924	0.7
161.04472	0.5
161.09549	0.4
163.03894	1.9
164.04707	11.0
165.01860	0.5
165.05411	0.8
175.00288	7.9
176.01047	3.9
177.17227	0.4
179.07043	1.3
190.02635	20.4
191.03413	6.2
201.97382	0.4
205.05000	22.5
206.05507	1.5
207.02824	0.5
208.03674	0.9
209.04504	0.7
219.04991	2.3
221.08098	0.5
221.11765	1.1
223.06067	10.8
223.13310	0.6
224.06470	0.7
237.06104	100.0
238.06438	3.3
263.09116	0.6
265.07147	1.4
281.10236	1.7
342.44577	0.4
367.10446	1.9
393.25357	0.4
443.11838	47.0
444.12183	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	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.3
57.03331	0.5
59.01249	100.0
60.01578	1.0
61.98737	0.2
63.93375	0.1
65.15173	0.2
67.01768	0.7
71.01250	3.9
71.01618	0.3
71.52531	0.2
71.52930	0.2
72.99176	0.3
73.02820	1.1
83.01276	0.5
85.02822	2.4
87.00746	0.2
89.02317	1.6
92.78573	0.2
95.01285	0.5
99.00762	0.4
101.02324	2.9
111.00803	0.3
113.02335	2.2
119.03413	0.7
125.02383	0.2
141.06543	0.2
143.03416	0.2
161.04449	0.9
163.44060	0.2
174.03201	0.3
185.11810	0.2
204.93549	0.2
243.06624	0.9
247.78658	0.2
307.71417	0.2
362.12927	0.2
381.22855	0.2
399.23758	2.6
441.19150	0.6
441.30112	0.2
442.16357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
59.01250	100.0
59.82854	0.3
60.01580	1.0
61.70005	0.2
61.80207	0.3
69.88077	1.3
71.01249	4.4
73.02813	2.0
74.12497	0.3
76.08493	0.3
83.01244	0.7
85.02810	1.3
89.02319	2.0
98.49916	0.3
101.02325	3.3
113.02324	1.2
119.03384	0.7
143.03423	0.5
161.04466	0.8
206.53008	0.3
251.11343	1.0
293.12354	0.7
309.18307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01597	1.2
61.98701	0.8
68.62836	0.7
69.35935	1.5
69.36355	4.5
80.66891	0.7
85.71236	0.7
111.11685	0.7
135.81528	0.6
200.00273	0.8
204.81165	0.8
209.11737	1.2
289.18329	2.8
307.19116	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	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16759	0.4
59.01248	100.0
60.01590	0.7
61.98687	1.0
65.45593	0.4
67.06441	0.4
69.55841	0.4
98.19769	1.1
108.42264	0.4
169.12218	0.5
171.10272	0.5
178.84789	0.4
182.36491	0.4
209.11751	0.6
288.70334	0.5
289.18085	3.2
307.19095	3.4
314.00665	0.6
323.25528	0.4
329.03024	0.6
340.30978	0.5
344.05292	1.3
410.34171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72909	0.1
55.01764	0.1
57.03336	0.2
58.00466	0.2
59.01249	100.0
60.01577	1.1
61.98701	0.1
67.01762	0.2
69.03319	0.1
69.71422	0.5
71.01251	4.7
72.99200	0.2
73.02816	1.4
75.00731	0.1
83.01261	0.6
85.02821	1.5
87.00757	0.1
89.02314	2.8
89.02834	0.2
93.03346	0.3
95.01263	0.3
97.02841	0.1
98.19820	0.1
99.00747	0.3
101.02320	2.6
113.02330	2.8
119.03390	1.1
121.02882	0.2
125.02329	0.1
131.03426	0.2
131.86314	0.1
133.09052	0.1
137.02379	0.3
142.31561	0.1
143.03421	0.3
149.04468	0.1
161.04475	0.8
173.04472	0.8
176.82115	0.1
179.05565	0.3
237.09169	0.2
295.08255	0.4
317.07822	0.1
381.22906	0.3
392.95953	0.1
399.23880	1.1
400.24194	0.2
426.09814	0.2
440.75183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92314	1.8
51.93503	1.8
59.01244	100.0
59.94732	2.0
61.98684	6.1
64.64892	1.8
80.13151	2.0
83.04873	2.6
93.03299	2.6
96.07495	2.0
98.20301	10.6
112.99459	2.0
121.53864	1.9
141.55559	1.9
163.11102	2.6
169.48993	2.0
195.13858	3.0
201.11314	11.6
209.11761	24.0
213.14760	3.6
227.12723	3.7
252.47253	2.4
293.74414	2.3
304.74136	2.1
307.19046	3.3
397.26035	3.6
423.27472	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	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.9
57.03318	0.6
57.85815	0.2
58.00463	1.1
58.30946	0.2
59.01250	100.0
60.01571	1.1
61.98696	1.4
67.51415	0.3
69.03333	0.3
70.40946	0.8
71.01253	17.9
71.91081	0.2
72.01583	0.3
72.99168	1.3
73.02819	9.5
75.00736	0.3
83.01258	4.1
83.01717	0.3
85.02824	4.6
87.00748	1.2
87.04394	0.9
89.01753	0.6
89.02313	12.2
95.01258	1.1
97.02839	0.4
99.00743	1.2
101.02322	15.5
101.05978	0.7
107.60741	0.3
113.02325	8.5
116.92796	0.2
119.03390	6.1
120.03738	0.3
124.71400	0.2
125.02336	0.6
131.02594	0.2
131.03378	1.2
134.36870	0.2
138.82620	0.2
143.03397	1.9
149.04501	0.8
152.70695	0.2
155.03442	0.3
159.02922	0.3
161.04460	3.8
178.04787	0.3
179.05531	3.5
219.42668	0.3
344.05286	0.3
381.23001	0.2
390.17969	0.2
399.23807	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	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91631	1.5
56.78047	1.3
59.01248	100.0
61.98698	7.5
71.32542	3.2
72.18201	1.2
232.82852	1.3
292.40710	1.5
302.01486	1.4
303.98953	1.3
307.19260	2.2
310.00940	1.5
344.09177	2.6
358.33203	1.6
395.29388	4.5
414.17026	5.0
441.30072	11.3
442.16370	5.5
442.25735	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	441.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22337	1.4
53.82139	1.3
58.90947	1.1
59.01248	100.0
59.25836	1.3
60.01574	1.7
61.98692	2.3
65.21894	1.2
71.52455	1.6
126.16103	1.2
133.47913	1.2
149.02397	1.3
202.02654	2.0
230.02086	2.3
255.02544	1.4
258.01660	7.2
283.02405	2.1
286.01062	10.7
287.01483	1.6
289.18048	4.4
300.02576	1.5
301.03568	4.7
307.19037	2.8
309.10071	1.3
311.01868	1.8
314.00720	4.6
315.04993	1.9
329.02945	10.3
330.03342	1.7
344.05328	21.2
345.05600	3.1
353.17804	5.0
357.22620	1.4
399.98248	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79660	0.3
59.01248	100.0
60.01583	0.8
69.26627	0.7
69.27037	2.9
71.01265	1.0
73.02823	1.1
85.02792	0.4
98.20566	0.7
101.02355	0.6
108.02046	10.7
109.02858	1.2
113.02308	0.7
118.50528	0.3
120.34223	0.3
126.97640	0.5
177.09117	9.7
178.09505	0.4
213.21967	0.4
427.51965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.8
59.01250	6.8
63.07183	0.4
69.03317	1.0
71.01258	1.7
73.02804	0.7
77.60785	0.3
81.03335	4.3
83.00754	0.5
83.01250	8.7
83.04880	1.0
85.02794	0.5
89.02319	0.5
93.03342	1.0
95.01231	0.9
95.04895	4.6
96.05174	0.4
97.02827	1.4
97.06485	0.7
98.20683	0.7
99.04368	0.8
101.02352	0.8
102.29790	0.3
107.04912	0.8
107.76689	0.3
108.02039	0.9
109.02831	0.6
109.06526	0.4
113.02318	0.7
118.31306	0.4
119.04908	0.6
121.02847	2.9
122.03661	2.3
123.04398	4.9
124.01550	2.3
125.02332	1.6
134.03613	0.5
135.04431	1.8
136.01555	0.9
137.02335	1.2
137.05972	3.6
138.03111	1.7
139.03885	1.3
146.62125	0.4
148.05241	0.4
150.03162	1.0
151.00307	0.4
151.03915	1.1
153.09123	0.6
161.09618	0.6
163.04036	0.7
163.11174	1.3
164.04704	2.7
165.01817	1.0
166.02577	3.5
167.03426	3.3
169.12219	0.7
175.07579	0.5
176.04640	0.8
177.05351	0.4
177.09048	0.7
178.06223	1.0
179.03409	3.3
180.04213	6.2
187.11307	0.4
189.09113	0.9
191.03433	2.0
192.04193	1.2
193.04974	0.4
193.12267	2.3
195.10150	0.7
205.04997	1.5
205.12251	0.5
206.05730	0.7
207.13812	0.9
208.03749	2.1
209.11740	1.3
217.12291	0.7
219.06537	0.7
233.08221	0.6
233.11696	0.7
235.09720	0.4
235.13336	4.1
237.11279	9.0
238.04843	0.6
238.11548	0.6
247.13379	0.4
249.11238	1.8
249.14919	1.5
251.12883	0.9
259.13293	1.1
259.45050	0.4
263.09241	0.7
263.13123	0.4
277.10825	0.4
277.14432	2.6
279.12357	34.9
280.12680	2.9
289.14661	0.5
291.12427	6.6
292.12854	0.7
293.13940	1.3
303.12454	0.6
305.13876	2.3
309.13440	1.8
318.11014	0.9
319.11636	0.6
321.13412	100.0
322.13715	7.7
333.13297	2.9
349.20950	0.4
351.14462	29.6
352.14853	2.8
363.14584	1.4
399.24478	0.4
423.16794	1.9
441.17700	7.6
442.18066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	30.3
67.68523	0.8
69.03336	1.2
71.01252	10.7
71.52336	1.3
73.02809	8.9
79.05404	1.0
80.67933	0.8
81.03342	2.3
83.01253	3.4
83.04890	1.0
85.02823	3.3
87.00752	2.1
89.02316	3.8
91.05408	2.4
93.03334	2.5
95.01283	1.5
95.04897	1.5
99.00779	1.8
101.02324	10.0
107.04845	0.8
108.02058	5.9
109.02837	2.6
109.06474	2.0
111.00754	1.3
111.04402	2.8
113.02300	4.0
115.00301	0.9
119.03388	1.0
119.04937	1.7
121.02817	8.1
122.03624	24.9
123.04446	12.2
124.01537	1.4
125.02393	1.1
134.03610	1.6
135.04404	15.0
137.02361	1.3
143.03371	1.1
145.02834	2.5
147.04465	0.9
151.03943	4.9
152.01057	3.6
152.04675	3.2
153.05473	100.0
154.05780	4.1
161.04474	2.1
161.05986	2.1
163.03917	2.7
174.03134	1.2
189.09169	3.0
190.02524	1.2
201.09106	3.4
205.05067	2.0
219.10208	25.0
220.10655	1.6
221.11783	2.2
237.11302	2.7
237.14972	1.4
261.11279	2.3
269.04361	1.5
279.12402	9.1
295.10385	1.3
312.52457	0.9
381.15527	8.2
382.15512	1.1
399.16528	16.7
399.21426	1.5
400.16827	1.3
423.16544	1.8
441.18152	31.4
442.17886	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	3.3
59.01244	24.8
62.88578	1.0
69.18922	1.9
69.19329	7.1
71.01250	14.4
73.02807	1.4
83.01247	1.5
85.02822	20.3
87.00738	1.6
87.72440	0.8
89.02304	12.5
95.01256	1.9
96.95871	1.1
98.19776	1.6
99.04380	0.9
101.02327	11.4
103.03880	36.7
104.04198	0.9
108.02059	0.9
113.02304	6.7
117.03353	2.2
119.03396	6.0
132.02052	3.2
133.02818	2.8
134.03624	33.9
134.04651	1.6
135.04160	1.3
145.04950	0.9
147.04399	2.0
148.05165	2.0
149.05997	4.7
160.01566	19.2
161.02348	5.9
165.08044	0.9
167.24284	0.9
173.06041	0.8
175.03912	28.0
176.04659	8.6
177.01753	1.3
178.02641	1.8
189.05511	0.9
191.07085	11.9
192.04202	1.5
193.04965	30.6
194.05264	1.8
197.91985	0.9
202.00363	0.9
207.06560	3.3
220.03648	1.5
223.82930	0.9
235.06079	17.0
236.06448	1.4
265.09265	100.0
266.09653	5.4
273.01312	0.8
295.08273	5.5
337.09283	2.0
441.13959	62.7
442.14255	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	441.1401
Annotation	Pubescenoside A
Peak:m/z	Relative Intensity
52.00055	0.8
57.03307	2.2
59.01248	30.4
61.98698	1.8
65.03819	1.5
71.01253	9.0
71.32091	1.5
72.99178	2.2
73.02799	3.1
75.00743	1.4
79.05399	1.7
83.01257	1.7
85.02798	3.5
87.00740	1.9
89.02291	3.4
91.01773	1.2
93.03317	2.5
95.01269	1.1
95.04890	4.9
97.02808	1.2
101.02323	5.3
106.04111	1.4
107.04917	8.8
108.02057	4.3
109.02849	7.5
109.06464	1.3
111.00761	2.5
113.02318	3.1
118.16873	0.9
119.03419	0.9
119.04909	1.9
120.99510	0.9
121.02832	25.7
122.03573	3.3
123.04385	1.7
123.08034	2.6
124.19215	1.0
131.08473	1.2
133.02852	1.4
133.06497	1.1
134.03604	2.7
135.00749	3.1
135.04411	34.7
137.02286	2.6
143.03355	1.1
145.02818	2.6
147.08064	1.8
148.01512	1.2
149.02324	2.2
149.05948	1.1
149.09622	7.7
152.00958	1.9
153.01810	1.4
153.05516	2.8
157.06487	2.5
161.02286	2.8
161.04454	1.2
162.03152	1.1
163.03888	1.2
173.09616	13.8
175.07588	6.5
175.11220	1.0
177.01767	1.7
179.07097	1.3
189.09085	2.7
190.02589	1.4
191.03383	2.9
191.10695	100.0
192.11017	4.2
193.12234	1.8
199.07568	4.9
205.04929	2.6
217.08635	64.2
218.04018	0.9
218.08946	3.3
219.06491	3.6
219.10201	2.4
219.13664	1.4
235.09711	74.7
236.10001	4.4
237.11256	2.6
243.06570	1.9
261.07645	27.7
279.08719	82.1
280.09091	6.2
303.08798	1.3
305.31140	1.0
313.00735	0.9
321.09714	2.4
362.17316	1.1
397.15298	1.2
423.16937	2.5
441.13834	61.8
442.14240	6.1
454.26108	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.9
58.00463	1.0
59.00959	1.1
59.01249	20.1
61.79133	0.8
71.01256	9.4
72.99172	1.1
76.61906	0.7
85.02825	15.5
89.02311	10.4
89.03880	0.8
99.04404	1.2
101.02338	7.4
103.03892	32.7
108.61696	0.9
113.02328	6.1
117.03339	2.9
117.05426	0.9
119.03396	4.1
132.02036	2.8
133.02805	1.4
134.03630	33.8
134.04660	1.8
135.04367	1.5
139.03947	0.9
145.04979	1.5
147.04453	2.8
147.19701	0.8
148.05190	1.1
149.06004	5.0
154.54520	0.8
158.03737	0.9
160.01572	18.3
161.02377	4.1
163.03900	1.1
174.03116	1.2
175.03922	27.2
176.04689	9.0
177.01839	1.8
178.02657	0.9
191.07079	11.8
193.04974	28.0
194.05344	1.1
207.06552	3.4
220.03719	1.9
226.06197	0.9
229.76863	0.9
235.06044	15.0
236.06522	0.8
264.74515	0.8
265.09290	100.0
266.09662	4.2
288.69614	0.9
295.08224	4.7
337.09360	1.9
355.10617	1.0
412.38968	0.8
424.87500	0.9
441.13980	81.1
442.14328	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	441.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.6
59.01255	65.0
64.69686	2.6
71.01247	12.8
71.52920	4.4
72.99175	5.8
73.02808	6.6
76.96945	2.6
78.77389	2.8
79.05407	3.2
83.01250	5.8
85.02805	9.6
87.00730	5.9
89.02328	4.4
93.03326	4.0
95.01259	3.2
95.04909	4.6
96.64996	2.9
101.02315	14.5
107.04884	18.8
107.81897	3.0
108.02016	3.7
109.02810	11.4
111.00756	5.7
112.23372	3.0
113.02328	5.4
119.04926	4.3
121.02854	26.1
123.04369	4.2
123.08067	2.9
133.06532	3.5
134.03622	6.1
135.00819	2.9
135.03426	5.2
135.04411	83.5
137.02325	6.4
149.09593	10.8
153.05516	6.9
155.03484	2.7
158.20174	2.7
161.02292	3.1
161.04546	3.1
173.09651	19.4
175.07480	6.6
190.02600	4.3
191.10704	91.1
192.11075	2.9
193.12210	9.7
199.07498	7.1
205.04938	6.7
212.62329	2.7
217.08640	68.0
218.08977	2.9
219.10173	7.2
235.09695	75.8
236.10077	8.2
237.11180	3.4
243.06583	3.7
261.07712	34.2
279.08701	100.0
280.08850	3.5
321.09686	3.7
338.81271	3.2
354.04642	3.0
367.60953	2.8
407.57535	3.0
423.16779	6.6
441.13794	78.6
442.14178	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	441.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84045	1.5
55.24191	1.6
59.01247	17.6
65.00156	2.1
70.97038	1.6
71.52385	2.4
71.52800	1.9
90.45865	1.4
109.99941	1.7
111.00754	1.7
119.04913	2.6
125.06009	1.9
127.07491	2.7
136.98653	1.7
149.02348	2.9
149.99513	1.6
151.11157	2.4
153.01877	4.2
164.98183	3.1
169.02812	1.6
170.03696	2.1
171.10178	3.6
172.01529	4.8
175.00264	5.0
179.52467	2.1
186.03140	3.0
189.01810	2.2
198.09009	2.1
201.01805	3.0
202.02628	13.4
213.01907	2.3
214.02628	3.7
229.01280	2.4
230.02191	9.9
241.01569	1.9
242.02100	4.9
258.01675	25.0
267.17862	2.5
270.01648	4.6
271.02475	3.6
283.02533	6.3
285.00473	2.2
286.01169	48.7
287.01538	3.6
297.64719	1.7
300.02670	6.1
301.03516	15.3
311.01895	3.3
314.00626	27.8
315.04968	3.5
329.03000	63.3
330.03384	4.7
344.05328	100.0
345.05811	11.5
353.17966	4.2
410.66351	1.9
441.18674	11.8
441.24847	3.3
441.33585	4.2
454.35428	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26815	2.1
55.23867	2.1
58.72762	2.0
59.01244	6.4
61.02629	2.3
71.52669	4.5
73.02815	3.7
73.24905	2.3
85.02814	5.1
89.02317	2.5
90.56483	2.3
104.89960	2.2
131.03438	2.9
160.84106	5.3
161.04436	16.0
162.83829	12.1
250.74561	3.1
277.21707	100.0
278.22058	7.3
309.76059	2.4
323.13324	2.4
379.13657	2.4
439.17203	2.8
440.05255	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	439.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00986	0.6
59.01249	9.6
71.01250	9.5
71.44407	0.7
71.52652	1.4
73.02816	3.4
75.00729	1.7
85.02814	3.0
89.02307	2.2
95.01267	1.0
101.02303	2.5
113.02302	4.9
118.99280	0.6
119.03349	1.2
127.07571	0.7
139.07541	1.1
161.02351	0.7
164.39009	0.8
173.02281	1.1
174.03143	3.1
175.03905	2.9
194.61711	0.7
201.01830	1.9
201.05389	1.4
247.85722	0.7
259.09607	1.3
273.22299	1.8
275.20245	0.8
277.21704	100.0
278.22086	8.8
291.23288	6.9
292.23935	0.8
301.21719	1.8
303.08646	0.9
319.22821	4.4
331.22699	4.7
335.10864	0.7
337.18253	1.3
349.23477	1.1
409.45789	0.8
439.20895	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	439.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66573	0.3
57.03326	0.4
59.01250	100.0
60.01589	0.8
69.47731	0.8
69.48140	1.6
71.01254	7.4
71.01617	0.5
72.99174	0.4
73.02816	4.2
78.39458	0.3
81.06970	0.6
83.01266	2.4
83.04879	0.5
85.02829	2.4
87.00751	0.5
89.02317	3.3
95.01285	0.6
99.00749	0.4
101.02319	6.2
110.00622	0.3
113.02341	2.9
119.03394	1.4
125.02343	0.3
131.03424	0.4
137.02371	0.5
143.03351	0.6
149.09593	0.3
161.04482	0.9
165.01797	1.4
179.05576	0.4
191.10745	1.1
193.08688	0.7
235.09708	8.0
235.17143	0.5
236.10056	0.6
335.20181	0.5
379.21378	0.8
395.22479	0.8
397.22208	2.0
439.15677	0.9
439.21213	6.5
440.21713	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2121
Annotation	5,7-Dihydroxy-4'-methoxy-8-C-prenyl-3'-(3-hydroxy-3-methylbutyl)flavanone
Peak:m/z	Relative Intensity
53.04645	1.5
59.01252	14.4
63.70856	1.5
70.69907	1.3
71.52625	2.4
72.94810	1.5
76.44813	1.5
84.66550	1.4
96.95879	1.9
119.04919	3.3
121.41569	1.5
123.36064	1.5
162.03076	4.6
173.02379	4.5
174.03117	22.9
175.03917	71.8
176.04250	2.7
201.01872	19.3
201.05490	36.0
241.08659	1.8
245.04527	3.2
259.09570	9.1
265.08679	3.1
267.10300	14.7
293.15466	1.7
303.08713	3.4
303.62802	1.8
309.14957	6.3
310.15601	5.6
311.16553	7.8
334.81619	1.6
337.14453	2.3
337.18066	10.8
349.23227	1.7
354.14679	7.1
381.17105	11.3
395.22177	4.6
439.21191	100.0
440.21524	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	439.2122
Annotation	7-Deacetyl-17-epinimolicinol
Peak:m/z	Relative Intensity
51.79520	0.3
54.18121	0.4
57.03322	1.6
59.01248	100.0
60.01579	0.9
67.01757	65.1
68.02094	1.2
68.99683	48.1
69.03311	2.2
69.92621	1.0
69.93013	0.9
70.00020	0.8
71.01254	1.5
79.05387	0.9
81.03339	1.1
82.11281	0.4
83.01259	0.9
83.04903	2.4
85.02820	6.8
93.03336	0.5
95.01269	1.1
96.95903	0.6
97.02841	1.2
97.06461	0.7
99.00756	1.0
106.04121	1.2
107.04906	1.5
109.02839	0.7
109.06488	1.7
111.00762	5.7
111.04420	0.8
120.05709	2.0
121.06477	1.0
123.04445	0.5
123.08038	1.0
125.06036	0.6
133.06508	0.6
135.04401	0.6
135.08069	0.8
138.63573	0.4
147.07985	0.5
147.11685	1.3
149.09613	1.2
151.03899	0.4
175.11205	0.4
189.12704	0.6
198.09201	1.2
221.13622	0.5
237.12863	0.6
241.15958	0.6
255.17578	0.6
257.15585	0.5
263.18164	0.5
265.19501	0.6
267.17499	0.6
275.14270	0.9
279.13840	0.5
281.19034	2.2
285.18570	4.8
287.14771	0.4
289.15891	1.9
291.17661	1.2
297.14996	1.5
299.20294	0.7
305.15472	0.5
305.18839	0.6
307.20529	1.1
309.18552	7.7
310.18863	0.5
317.19052	0.7
319.17126	0.5
323.16833	0.5
323.20013	2.3
325.21677	2.0
327.19641	10.0
328.19836	1.0
335.16190	0.6
335.20123	10.2
336.20572	1.3
351.19620	2.8
353.21228	16.4
354.21579	1.7
369.20663	9.1
370.21051	0.7
379.19238	1.0
381.61844	0.6
395.22238	28.5
396.22516	3.0
397.20224	1.9
411.21591	0.5
428.82092	0.4
439.21243	33.6
440.21616	4.8
444.91763	0.5
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
56.78084	8.4
59.01255	50.9
71.01250	13.5
71.51907	9.6
75.00751	10.0
81.22232	8.7
84.06215	8.0
85.02817	9.2
87.00743	8.3
96.95869	18.5
101.02296	10.4
101.32579	8.4
111.00729	11.1
113.02299	9.5
165.05463	14.8
195.06480	13.4
379.17859	14.2
439.17230	100.0
440.17892	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	439.2124
Annotation	5,7-Dihydroxy-4'-methoxy-8-C-prenyl-3'-(3-hydroxy-3-methylbutyl)flavanone
Peak:m/z	Relative Intensity
59.01236	3.3
59.92435	0.7
71.01206	0.9
76.43687	0.8
109.15840	0.7
119.04889	4.2
129.03346	1.1
131.01349	0.8
147.04385	2.1
157.02798	1.3
162.03101	3.5
165.05473	1.2
173.02345	4.6
174.03131	33.5
175.03914	100.0
176.04355	3.9
177.05487	2.1
201.01852	59.3
201.05486	50.6
202.02187	2.5
202.05843	1.9
212.22632	0.8
218.02188	3.9
223.07602	2.0
233.56210	0.9
241.08629	1.1
245.04465	3.2
247.06004	0.9
259.09708	15.2
260.10028	1.3
267.10242	1.8
271.22681	0.9
273.41098	0.8
283.13446	0.8
303.08725	28.1
304.09140	1.3
309.14944	1.5
310.15515	3.1
311.16406	6.6
337.14355	1.8
337.18048	12.6
347.26010	0.8
354.14734	1.4
365.26907	4.5
381.17062	3.9
395.22025	3.7
399.61655	0.8
435.57043	0.9
439.21176	71.1
440.21552	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	439.1607
Annotation	[3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid
Peak:m/z	Relative Intensity
59.00951	1.2
59.01247	15.5
59.02863	0.6
61.98681	0.8
67.00610	0.5
69.26435	6.0
70.48112	0.6
71.01237	5.1
73.02813	2.2
83.01259	1.4
85.02836	2.1
87.08214	0.6
87.41928	0.5
89.02307	1.5
93.03326	14.3
95.01265	1.2
95.04903	2.2
99.00739	0.6
101.02324	2.3
106.04147	1.1
109.02850	1.9
110.90633	0.6
111.00770	0.8
111.02589	1.0
113.02335	2.5
119.04929	1.3
121.02843	10.9
123.00718	0.6
123.04397	0.8
125.64867	0.8
135.04398	0.7
137.02330	22.5
138.02693	0.8
149.02335	23.9
150.03067	1.4
151.03922	1.8
152.00996	0.8
153.01712	0.6
161.05884	0.6
164.04698	22.0
165.05392	1.4
173.09599	1.3
177.05424	3.8
177.09093	3.7
185.06009	1.2
189.82596	0.6
196.03693	25.0
197.04004	0.9
201.09151	16.9
202.09560	1.5
205.08673	1.3
217.08685	4.5
218.09384	1.4
233.11784	97.7
234.12154	7.3
241.08665	0.9
245.08168	11.7
259.09851	3.1
277.10794	100.0
278.11145	7.2
301.10666	1.4
318.61667	0.6
319.11700	5.2
320.12006	0.7
439.16504	2.3
439.32523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23578	0.6
59.01249	14.2
61.98702	100.0
71.01267	1.2
73.02828	0.7
75.18195	0.5
82.23371	0.5
89.02302	0.6
97.34604	0.5
98.19662	0.8
101.02352	0.8
113.02294	0.8
119.04918	0.7
135.99811	0.6
143.38406	0.6
145.02808	0.9
151.03917	4.1
182.84207	0.5
189.12852	0.6
206.13144	0.8
235.13426	2.2
313.24261	0.6
439.15948	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.8
61.21822	0.3
68.27227	0.3
70.68779	0.8
71.01250	1.6
72.99179	0.5
73.02827	0.4
73.77779	0.3
74.02065	0.3
75.00733	0.4
78.95776	11.6
79.58753	0.3
79.95605	1.8
83.01255	0.3
85.02816	0.8
87.00751	1.2
88.67116	0.3
89.02308	1.0
89.89507	0.3
92.36318	0.3
96.95894	100.0
96.96847	27.7
99.00748	0.7
101.02335	1.4
110.98409	0.6
111.00735	0.7
112.98689	1.0
113.02348	0.7
114.82407	0.3
115.00246	0.7
118.96477	0.5
119.03400	0.5
120.01097	0.4
120.90979	0.3
129.01845	0.4
142.99734	0.5
145.01334	0.6
165.08923	0.3
179.05571	0.4
185.21405	0.3
217.00143	0.5
263.05795	0.6
265.09161	0.5
332.82104	0.3
341.10861	0.5
401.13037	0.4
439.08994	1.6
439.12683	0.8
440.11249	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
57.03312	0.7
58.00452	0.7
59.01248	21.7
60.01570	0.9
61.98661	0.6
69.03314	0.4
69.44701	0.4
70.13892	0.4
71.01252	13.7
71.52430	0.4
71.78634	0.3
72.99169	1.5
73.02827	1.8
75.00731	0.5
79.77642	0.3
79.95606	0.4
80.96364	0.5
83.01247	1.8
85.02821	3.9
87.00742	2.9
89.02314	5.4
92.27715	0.4
93.03315	0.9
95.01248	1.0
96.95898	1.1
99.00748	1.2
100.83282	0.5
101.02313	8.0
106.04130	4.6
107.04924	0.8
109.02847	0.4
111.00733	0.8
113.02317	4.3
119.03400	2.4
119.04922	0.8
121.02824	2.1
123.00652	0.4
134.03641	1.4
137.02348	0.8
138.03107	1.3
143.04947	0.4
146.02428	0.7
146.03523	0.5
147.04373	0.6
152.01215	0.4
159.03023	0.5
159.08064	1.2
160.03946	2.3
161.04443	0.4
166.02731	0.6
175.11192	4.3
187.11195	5.7
188.11534	0.5
205.12274	14.1
206.12598	0.7
216.10052	0.5
231.10178	1.0
233.11777	4.5
242.14853	0.6
246.12578	0.5
249.11273	2.3
275.12991	0.6
276.12469	0.5
349.16486	1.6
367.17578	9.6
368.18002	1.2
393.15540	11.5
394.15924	1.4
407.94366	0.5
411.16589	1.8
420.16550	8.7
421.16940	1.3
438.17657	100.0
439.18063	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	438.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36626	0.5
55.01757	0.7
56.03412	0.5
57.03325	0.8
58.00469	1.7
59.01249	32.6
60.01564	2.4
62.92535	0.5
71.01255	18.1
72.99170	1.6
73.02820	2.8
80.74845	0.7
83.01257	2.1
85.02821	4.7
85.99975	0.8
87.00729	3.9
87.20029	0.6
89.02309	5.3
93.03328	0.7
95.01241	1.5
97.02894	0.6
99.00761	1.9
99.33221	0.6
101.02322	6.7
104.80638	0.8
106.04132	6.3
107.04917	1.2
108.02034	0.8
111.00784	0.9
113.02333	4.7
119.03395	1.7
119.04917	0.7
121.02845	2.7
122.03247	0.8
134.03589	2.9
135.04337	0.9
138.03130	1.0
147.04346	0.8
149.02209	0.7
159.02917	0.8
159.08032	3.3
166.02615	1.3
175.11198	5.6
182.02217	0.6
187.07648	1.0
187.11177	5.8
205.12260	15.2
206.12573	0.7
223.07190	0.6
231.10228	1.5
233.11775	7.7
234.12196	1.2
247.13345	0.8
249.11308	5.2
259.13522	1.0
261.11255	1.3
275.12720	1.1
314.47122	0.6
333.13528	1.0
333.76920	0.7
349.16513	3.1
367.17667	7.2
393.15527	35.1
394.15909	4.1
411.16721	2.4
420.16632	31.5
421.16879	3.3
438.17667	100.0
439.18045	11.0
446.37793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52662	1.2
54.52199	1.0
59.01249	56.8
61.98701	100.0
63.42598	1.1
67.79906	1.2
71.01254	3.3
73.02829	2.6
78.27798	1.1
101.02341	2.3
103.39674	1.2
106.63767	1.1
108.02010	1.2
113.02287	1.5
175.27258	1.5
289.16562	2.4
317.16003	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.6
71.01251	2.4
71.52998	2.0
73.32804	1.7
106.04121	3.9
111.00829	1.5
113.46777	1.3
118.67525	1.3
119.04940	2.5
121.02863	2.6
136.27147	1.2
140.57806	1.3
163.03992	2.1
175.11253	3.4
193.86960	1.3
205.12299	7.1
220.11000	14.1
258.11319	19.5
259.11734	1.4
276.12393	100.0
277.12759	7.1
318.13513	2.9
438.17627	4.4
439.16113	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	438.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.4
57.03320	0.4
58.00452	1.2
59.01250	16.2
60.01577	0.8
61.98708	0.6
71.01248	12.1
71.52669	0.6
72.99163	1.3
73.02807	1.6
79.95576	0.5
80.96381	0.5
83.01252	1.2
85.02820	3.7
87.00739	1.8
88.83958	0.5
89.02316	4.9
95.01213	0.7
96.95874	0.6
99.00748	1.3
99.96722	0.4
101.02312	6.4
106.04111	3.9
107.04889	0.9
109.24310	0.4
109.59901	0.4
111.00774	0.6
113.02319	3.7
119.03379	1.4
119.04923	0.7
121.02818	0.9
134.03625	1.1
137.02336	0.4
146.02376	0.5
159.08044	0.7
160.03906	1.7
160.05112	0.5
166.02609	0.7
175.11182	4.5
179.16060	0.4
187.07552	0.7
187.11200	5.2
205.12273	12.3
206.12589	0.8
216.10275	0.9
231.10213	0.7
233.11734	4.1
242.14760	0.6
249.11232	2.0
261.11322	0.7
267.11279	0.4
349.16458	0.6
367.17508	8.2
368.17999	0.6
393.15518	11.7
394.15894	1.2
411.16434	1.5
420.16565	9.0
421.17221	0.7
425.44168	0.4
438.17639	100.0
439.17987	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	437.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86037	0.4
53.04135	0.4
59.01248	100.0
60.01590	1.1
61.98700	1.7
67.78700	0.4
71.01247	6.9
73.02828	2.3
74.68108	0.4
83.01266	0.6
85.02842	2.9
87.00777	0.5
89.02317	2.1
93.03336	0.5
95.01240	1.1
99.00771	0.8
101.02318	4.6
106.04187	0.6
108.02081	0.6
113.02331	2.9
119.03399	0.6
119.04931	0.5
120.99552	1.1
143.03506	0.6
161.04459	1.8
161.71422	0.4
163.03976	0.6
164.89081	0.5
224.55646	0.4
229.15967	0.7
233.08441	0.5
269.04459	0.7
273.15109	0.8
274.15363	0.9
275.15634	2.1
317.19659	1.7
335.20700	11.1
335.24533	0.6
336.21289	0.8
364.25006	0.5
377.21896	3.5
437.17981	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	437.1102
Annotation	Fortuneanoside J
Peak:m/z	Relative Intensity
57.03346	0.8
59.01243	4.9
71.01241	3.4
71.51643	1.2
72.99175	1.7
73.02824	1.1
75.00745	6.7
83.01274	1.5
85.00887	0.9
85.02821	1.6
87.00780	1.3
89.02296	1.1
93.03333	3.6
94.97924	1.1
99.00779	2.5
103.00251	4.7
109.02771	0.7
111.00764	7.5
111.04398	1.4
112.98685	15.8
115.00246	1.1
120.99535	1.1
124.98698	1.7
125.02474	0.7
128.03468	0.7
142.99762	9.8
145.01363	2.0
155.03392	0.8
157.01410	0.8
173.00775	3.7
173.04497	2.4
191.05466	1.7
199.04097	3.8
217.05185	21.0
231.03163	1.6
259.06494	0.8
263.05847	1.0
289.03787	7.2
289.07074	1.5
301.07465	1.6
305.07382	0.7
317.07010	1.3
345.06305	3.9
434.67825	0.9
437.11234	100.0
438.11624	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	437.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.7
57.03313	0.9
59.01247	49.9
61.98674	1.2
63.17421	0.5
69.03317	1.1
69.44215	3.8
71.01253	8.3
71.04882	0.8
72.99160	1.0
73.02824	2.5
74.31055	0.6
81.03329	16.1
83.01264	2.1
84.02065	0.9
85.02806	2.7
87.00743	0.8
87.06219	0.6
89.02328	1.6
93.03333	1.7
97.02818	2.0
98.20625	1.0
99.00745	1.3
99.04379	4.2
101.02331	4.9
106.04146	1.1
107.04903	0.7
108.02008	1.4
109.02851	0.8
113.02353	3.3
119.03341	0.8
119.04903	1.9
120.99512	1.0
121.02839	1.1
135.04364	1.0
137.05959	10.4
143.03444	0.7
152.01028	0.8
159.02945	0.6
161.04448	3.6
163.03828	0.9
165.03882	1.0
187.11212	1.4
189.12807	0.7
203.14345	1.4
205.15950	1.2
215.14369	3.6
217.12248	1.1
219.07335	0.6
231.13806	1.9
233.15421	100.0
234.15749	5.5
257.15350	1.0
267.13806	0.6
269.04489	1.1
285.03522	0.6
289.14490	5.4
298.03772	0.6
303.48792	0.5
377.19702	7.3
378.19955	0.9
395.20624	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15885	0.2
55.91809	0.2
59.01246	6.3
61.73864	0.2
61.98695	4.1
65.11263	0.2
70.49333	0.8
71.01244	3.2
71.46815	0.3
72.99173	0.3
73.02806	0.3
85.02798	0.6
89.02316	2.7
93.03329	0.6
101.02317	0.9
106.04115	13.0
107.04910	10.3
107.05635	0.6
113.02341	0.8
119.03371	0.3
119.04888	1.8
121.02848	0.3
137.02254	0.3
138.03130	4.1
142.33356	0.3
143.03371	0.4
145.06459	0.4
146.07303	0.3
147.08052	0.7
150.03110	2.2
159.08070	1.5
159.97165	2.7
161.04514	0.2
161.09584	0.3
182.02127	2.4
189.16788	0.2
229.15918	25.3
230.16312	1.2
231.99330	0.8
233.06708	0.6
242.68053	0.2
257.15530	0.3
273.14932	100.0
274.15259	6.6
315.15991	1.6
345.16736	0.3
369.29388	0.3
375.17938	0.8
377.06766	0.3
391.12811	0.3
394.04562	0.3
435.10635	0.3
435.20178	5.7
436.05698	1.0
436.20505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12833	0.8
52.00475	0.7
55.17333	0.7
57.06757	0.7
59.01253	8.6
68.99687	3.4
71.01243	3.7
71.53367	0.7
73.02801	2.3
83.01270	1.0
85.02825	1.8
89.02300	1.0
99.00745	12.7
101.02309	2.2
106.04118	14.3
107.04916	10.0
113.02341	1.2
118.02894	1.4
119.04909	1.7
121.06501	0.8
132.04437	2.7
132.42345	0.8
138.03151	4.4
139.07565	1.4
147.08051	0.9
150.03117	2.8
159.08044	1.4
161.04460	1.9
164.83545	1.0
182.02155	2.1
183.11731	0.8
229.15956	24.9
230.16261	2.0
237.06793	0.9
273.14948	100.0
274.15359	8.3
335.20804	3.4
353.20456	1.4
435.12018	1.0
435.18680	1.4
435.24344	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	435.2021
Annotation	CHEBI:67659
Peak:m/z	Relative Intensity
54.14734	0.6
55.01748	1.3
57.03318	0.8
58.00449	2.4
59.01249	58.8
65.97676	0.6
68.38147	0.5
69.93489	2.4
69.93912	1.3
71.01252	29.2
72.27116	0.6
72.99169	2.4
73.02811	1.4
75.48007	0.5
81.36884	0.6
83.01253	1.8
85.02813	7.7
87.00739	1.5
89.02316	21.6
95.01259	2.6
100.43037	0.6
101.01698	1.1
101.02319	13.5
102.02695	0.7
104.14743	0.5
106.04123	8.2
106.21868	0.6
107.04907	3.3
113.02325	11.5
117.03322	0.8
119.03383	6.9
119.04896	1.4
121.02872	0.6
131.03462	0.6
134.03633	0.6
138.03130	1.9
143.03380	1.1
159.08051	0.9
161.04500	0.7
161.09621	1.5
162.00749	0.6
163.03876	1.1
179.05496	0.9
203.07050	1.7
229.15916	12.4
257.15405	1.7
267.75217	0.6
271.17068	0.8
272.14133	1.0
273.14944	52.6
274.15253	3.6
285.14935	2.0
287.16562	4.4
315.15991	27.8
316.16345	1.9
338.09329	0.6
345.17038	4.0
353.16370	0.6
375.13898	0.5
375.18085	14.6
376.18335	1.2
383.97818	0.7
435.20187	100.0
436.20526	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	435.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	28.6
60.01579	1.4
61.01661	1.0
62.29067	0.6
64.05865	0.5
65.03807	0.9
68.77174	0.5
69.03343	0.5
69.41173	4.3
71.01261	5.2
72.99174	0.5
73.02817	1.5
81.03327	1.2
83.01224	0.5
85.02823	4.5
87.01604	0.5
89.02309	1.0
93.03332	68.4
94.03680	1.5
95.01250	1.6
101.02326	1.8
108.02049	66.3
109.02846	27.0
110.03142	0.7
111.90660	0.5
113.02308	1.8
118.15829	0.6
119.04925	0.8
121.02835	1.7
123.00803	0.7
123.04401	0.6
125.02287	0.8
135.04372	0.9
137.02338	98.5
138.02672	2.8
151.00328	0.7
151.03914	1.2
152.01053	89.7
153.01842	36.7
154.02213	1.1
161.02281	0.8
161.04469	1.1
163.03920	1.8
165.01855	0.9
181.05061	0.7
190.54985	0.6
195.02921	1.1
217.60332	0.7
229.68216	0.6
246.62138	0.6
280.30383	0.5
281.06372	0.8
297.06143	21.8
298.06436	1.7
315.07187	19.8
316.07532	1.5
374.22327	1.0
375.23123	1.1
383.75687	0.6
435.09277	100.0
436.09631	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	435.0928
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
59.01250	8.6
71.01253	6.0
73.02811	1.9
81.03317	1.2
82.61269	0.9
83.01245	1.0
85.02809	4.1
93.03329	13.1
95.01264	2.4
101.02309	4.2
108.02048	54.0
109.02168	1.8
109.02843	30.1
113.02321	3.0
121.02857	1.1
125.02390	0.9
135.00716	1.0
137.02336	22.7
151.04021	1.0
152.01051	68.3
153.01840	22.9
163.03999	1.2
165.01724	1.1
179.03416	1.2
195.06488	1.2
248.04948	0.9
269.04407	1.0
281.06644	7.4
315.07220	10.2
332.60147	0.9
391.10388	2.9
396.21497	0.9
435.09296	100.0
436.09705	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	435.0932
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
56.48409	0.4
57.03317	1.0
59.01249	37.1
60.01572	0.6
61.01659	0.5
61.98698	0.4
67.01347	0.3
69.03327	3.8
71.01254	3.4
71.52688	0.5
72.99180	0.5
73.02822	1.4
81.03329	1.3
83.01264	2.1
85.02820	3.3
87.00767	0.6
89.02328	1.1
92.04909	0.3
93.03325	0.7
95.01248	2.3
97.02830	3.6
97.06463	0.7
101.02309	2.1
103.03894	3.7
107.01279	1.2
108.02054	1.0
109.02843	1.0
111.00749	0.7
113.02338	1.7
119.03418	0.4
121.02838	8.2
123.00774	7.3
124.01555	21.4
125.02330	60.6
125.09618	6.8
126.02661	1.6
136.01584	0.7
137.02350	2.6
149.02351	0.4
149.99490	34.7
151.00279	3.6
151.03931	0.7
154.31944	0.3
161.04474	0.6
163.03975	0.5
165.01810	0.6
167.03404	0.9
167.10619	0.8
168.00552	64.0
169.01312	5.4
169.08644	0.4
187.09702	9.6
187.11385	0.6
199.13379	0.5
201.11307	1.1
211.09715	2.4
229.10762	1.3
247.09819	2.1
265.09085	0.5
265.10962	0.5
274.10901	1.0
313.05606	2.4
349.14795	0.5
375.23904	0.6
399.25302	0.4
417.08115	2.3
423.69162	0.4
435.09277	100.0
435.17957	10.3
436.09631	10.7
436.19031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03072	0.1
57.03310	0.5
59.00957	0.2
59.01250	4.4
66.29005	0.1
71.01238	0.6
71.52656	0.2
73.02802	0.2
74.03245	0.1
83.01238	0.1
85.02823	0.4
87.04383	0.5
89.02285	0.2
101.02314	0.5
101.65741	0.1
103.03890	4.2
106.37361	0.2
108.02012	0.2
113.02336	0.2
117.63873	0.1
119.04875	0.2
119.57273	0.1
120.05263	0.2
121.02811	0.1
160.03966	0.3
213.04123	0.5
218.42218	0.2
228.02962	3.2
229.03770	2.1
230.03922	0.2
256.02484	9.5
257.03256	46.9
258.03610	2.9
269.28622	0.2
270.04047	0.5
271.04840	10.8
272.05624	100.0
273.05966	6.4
273.08966	0.3
344.85510	0.1
383.68015	0.2
434.10880	16.4
435.11237	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.5
57.03316	0.6
58.00467	0.3
59.01250	100.0
60.01583	0.6
69.03319	0.2
71.01249	6.9
72.99190	0.5
73.02825	2.4
83.01265	1.6
85.02818	3.4
85.99967	0.2
87.00751	0.4
87.04364	1.0
89.02314	2.3
93.65881	0.2
95.01265	0.9
97.02829	0.3
99.00798	0.6
101.02320	4.3
101.90930	0.2
107.01271	0.2
111.00771	0.6
113.02335	5.0
115.03857	0.4
119.03413	0.8
119.04927	0.8
121.02838	1.1
122.02721	0.4
122.03626	8.5
123.04000	0.3
125.02341	0.2
132.77687	0.2
135.04405	0.2
143.03441	0.7
151.00294	0.7
161.04465	1.6
165.05493	1.6
179.05641	0.2
181.54448	0.2
181.97565	0.2
204.74326	0.2
229.14536	0.2
229.17961	0.2
269.04016	0.2
271.06100	1.8
343.08240	0.4
373.22308	9.0
374.22733	0.7
389.12381	1.2
391.23373	5.6
392.23895	0.6
433.11087	0.7
433.20605	3.6
433.28714	0.4
434.20871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18272	0.3
55.53865	0.3
57.17820	0.4
59.01249	100.0
60.01593	1.3
71.01249	5.8
71.52725	0.5
72.99184	0.4
73.02818	1.5
83.01266	0.8
85.02810	1.9
87.00793	0.8
89.02322	3.8
89.42968	0.4
91.16811	0.4
92.83880	0.4
94.04745	0.4
95.01258	0.7
95.21152	0.4
101.02312	3.5
102.02676	0.3
103.03888	0.4
113.02333	2.9
119.03399	1.5
121.02087	0.4
121.02823	2.3
123.04391	0.5
127.23228	0.3
135.04446	1.4
141.69620	0.4
145.62410	0.3
149.02304	0.4
153.01976	0.4
158.89230	0.4
161.04492	1.4
166.02583	0.6
167.03407	0.5
179.05649	0.5
185.08182	0.4
271.06128	0.6
306.50836	0.4
353.46246	0.4
373.10306	0.5
373.22424	0.7
433.11496	0.6
433.24771	1.2
433.31537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53873	1.8
56.91331	1.9
57.03314	2.9
57.04599	1.8
59.01246	45.3
70.21727	5.4
70.22080	4.1
70.49593	1.8
71.01237	7.4
72.02046	2.9
80.91564	2.3
87.04386	26.4
99.92458	5.2
101.02332	3.2
115.91944	2.8
123.07928	1.9
139.07578	2.3
152.99420	5.6
155.14281	2.7
173.05594	2.1
192.11076	1.9
263.23718	9.7
277.25433	2.2
279.23206	4.3
289.25290	10.4
307.26422	100.0
308.26721	8.8
351.25455	7.9
374.25674	2.0
386.15552	2.2
389.26004	3.6
395.63916	1.9
433.25592	3.2
434.17599	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01590	0.5
71.01253	1.1
89.02341	0.9
101.02365	0.7
113.02336	0.8
118.05860	0.4
186.37440	0.4
261.55435	0.4
271.06110	2.0
290.80478	0.4
313.16632	0.6
331.17654	1.3
373.18835	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39384	0.6
53.36674	0.5
53.44006	0.5
55.01755	2.1
56.88702	0.5
57.03326	2.7
58.00460	2.1
59.01249	100.0
60.01590	0.6
69.03329	0.5
71.01251	59.6
71.52135	0.7
71.52508	0.7
71.87630	0.5
72.01591	1.1
72.99178	4.5
73.02820	7.0
73.03198	0.7
75.00752	0.9
76.91830	0.5
83.01273	3.3
85.02822	15.3
87.00746	3.3
87.04393	3.2
89.02314	57.9
90.02679	0.8
90.34532	0.5
95.01248	4.1
97.02864	0.8
99.00743	3.0
101.02318	35.7
102.02690	0.9
111.00744	1.2
113.01524	1.1
113.02327	21.7
114.02682	0.6
119.03387	26.4
119.04820	1.2
126.54346	0.5
131.03397	2.8
135.59055	0.5
136.72961	0.5
143.03423	4.6
149.04474	2.4
159.02922	1.6
160.03970	0.7
161.04462	11.1
163.03998	0.7
165.12785	0.6
179.05531	8.4
179.06990	0.8
183.13837	0.6
205.03450	0.9
238.99132	0.5
256.02533	0.9
271.04980	0.8
271.19113	5.4
313.07043	0.6
351.85178	0.6
367.34882	0.5
391.19012	0.6
433.24533	17.8
434.10986	2.9
434.24969	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	433.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.0
57.03313	2.4
57.85117	0.4
58.00452	2.8
59.01247	100.0
59.83519	0.3
60.01584	0.9
61.47628	0.4
62.64983	0.3
69.36954	3.4
71.01250	58.5
71.04906	0.4
72.01576	0.7
72.99174	4.1
73.02816	5.9
75.00762	0.6
83.01257	4.1
83.04897	0.4
85.02819	15.6
86.03158	0.5
87.00263	0.6
87.00733	3.2
87.04387	4.5
89.02313	55.6
90.02649	1.1
93.03329	0.4
95.01250	3.9
99.00739	2.9
101.02316	34.4
102.02682	0.6
104.11074	0.4
111.00765	1.3
113.02328	25.2
117.97169	0.4
118.18736	0.5
119.03382	27.6
119.04803	0.8
120.03726	0.7
125.02341	1.2
131.03383	3.1
139.74255	0.4
143.03391	5.2
149.04492	2.5
153.01933	0.4
159.02873	1.6
160.03955	0.7
161.04456	10.1
163.03911	0.6
179.05537	8.2
183.13866	0.5
185.05956	0.6
205.03351	0.6
256.02463	1.3
257.03250	0.8
271.04922	0.6
271.19119	5.6
272.05685	0.7
272.09167	0.4
272.19284	0.4
313.06934	0.4
343.08231	0.6
373.18771	0.6
419.08539	0.6
429.25778	0.4
433.10529	1.4
433.24490	17.6
434.11124	2.6
434.24863	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78033	0.5
57.03323	0.6
59.01248	100.0
60.01604	0.5
61.98699	0.4
69.31694	3.8
71.01245	7.3
73.02840	2.4
83.01288	1.0
85.02810	2.8
89.02316	3.5
98.19728	0.9
99.00756	0.7
101.02309	4.0
113.02313	2.7
119.03403	1.8
119.04907	0.9
131.03430	0.5
143.03410	0.6
152.01184	0.5
158.86064	0.4
159.02916	0.7
161.04478	2.8
179.05617	0.4
189.00049	0.5
203.05571	0.9
221.06682	1.7
257.03262	0.5
271.06110	1.1
272.05737	0.5
313.16443	0.8
331.17621	6.0
332.18057	0.8
373.18576	0.9
380.79364	0.5
417.31204	0.5
433.19687	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51968	0.4
56.73219	0.4
57.03333	0.6
59.01248	100.0
60.01582	1.4
61.01679	0.9
61.98714	1.0
67.01768	0.6
69.22726	4.1
69.23119	1.0
71.01247	4.5
72.99191	0.5
73.02813	1.8
83.01255	1.0
85.02818	2.4
87.00770	0.5
89.02335	1.9
97.02875	0.4
98.19746	0.9
99.00768	0.7
101.02329	2.7
103.03900	0.8
109.02829	0.6
111.00762	1.1
113.02338	1.7
119.03403	0.8
119.04920	1.2
125.02346	0.9
141.00771	0.4
147.67061	0.4
160.03989	0.7
161.04489	1.2
163.04007	0.5
167.03488	0.8
253.12334	0.5
265.09250	0.8
271.06229	1.4
295.01590	0.4
338.31137	0.5
343.08191	0.7
343.13278	0.5
433.11160	1.0
433.19424	2.9
433.23618	0.6
433.24820	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92701	0.4
57.03340	0.5
59.01249	100.0
60.01585	1.0
61.98701	0.4
71.01251	8.0
72.99191	0.3
73.02814	2.4
83.01271	1.4
85.02822	3.0
87.00745	0.6
89.02317	2.9
93.03352	0.5
95.01282	0.9
98.20583	0.8
99.00773	0.6
99.21391	0.3
101.02312	5.9
101.02914	0.4
103.03888	0.7
108.02063	0.8
109.02879	0.4
111.00773	0.6
113.02335	3.0
119.03414	1.2
119.04932	1.1
123.80106	0.3
134.03680	0.5
134.06056	0.4
135.63878	0.3
137.02336	0.7
143.03439	0.9
151.00313	0.3
152.01047	0.6
157.88635	0.3
159.02908	0.6
161.04501	2.5
163.03951	0.5
179.05577	0.4
197.09735	0.4
203.05521	0.6
211.13390	0.4
227.16476	0.5
243.14310	0.7
256.02319	0.4
257.03378	1.8
257.49103	0.3
271.06299	0.5
272.05600	4.5
284.23489	0.4
297.00183	0.4
303.16425	0.5
313.16675	2.3
331.17606	8.4
332.18048	0.6
339.12909	0.4
373.18634	2.1
389.25861	0.5
391.23508	0.4
432.63998	0.7
433.10941	0.8
433.19250	1.9
433.24741	0.8
434.11182	0.9
434.19461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18255	0.4
59.01249	100.0
60.01591	1.1
61.98697	1.3
65.18946	0.4
65.51797	0.4
69.31393	2.6
69.31803	1.2
71.01253	5.5
73.02804	2.5
82.52029	0.3
83.01241	0.7
85.02823	2.4
87.00755	0.4
89.02322	2.7
95.01293	0.4
99.00777	0.5
101.02316	6.1
101.05965	0.5
101.92716	0.4
102.72141	0.4
103.03864	0.5
109.02853	1.0
111.00800	0.6
111.23381	0.4
113.02343	2.1
119.03430	1.0
143.03384	0.9
149.04504	0.6
151.00310	0.5
161.04500	2.2
179.05585	0.9
185.06046	0.5
229.05141	1.6
265.09399	0.7
271.06119	0.8
313.16785	0.6
331.17618	3.6
373.18799	1.8
373.22830	0.7
391.23489	0.9
433.19754	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	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01580	0.7
61.01683	0.4
65.00186	1.2
71.01257	2.9
71.11382	0.3
71.29756	0.4
71.30081	0.5
73.02811	1.4
83.01256	1.7
85.02796	1.6
86.21815	0.3
89.02308	2.0
89.57894	0.3
93.33540	0.3
95.95139	0.5
96.95915	0.5
101.02309	2.1
102.06599	0.3
103.03899	0.6
107.01282	1.7
108.02094	0.3
113.02315	1.6
119.04884	2.0
121.02835	0.3
125.02370	0.3
131.01317	0.3
143.04893	0.7
145.02853	2.4
151.00256	3.3
161.04590	0.6
161.06015	1.2
169.60107	0.3
180.05762	0.4
185.05991	2.0
229.05009	18.2
230.05400	1.2
243.06607	0.4
253.04987	2.8
253.07320	0.3
254.05327	0.5
269.04562	0.3
271.06186	2.3
307.06912	0.3
331.17764	0.7
373.09283	0.4
373.22610	0.5
391.23364	0.6
433.11340	1.0
433.24695	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23156	5.1
59.00994	7.7
59.01250	100.0
61.29677	5.9
64.27592	5.2
67.28215	5.6
69.93027	5.5
70.27110	11.6
70.27483	19.7
75.76093	6.0
77.74177	6.7
98.19963	6.6
98.20515	8.1
164.11429	8.4
198.09138	20.6
199.22374	6.4
200.22232	5.4
316.90402	6.3
337.21613	8.4
346.60657	7.2
403.29202	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	433.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52502	0.6
59.01250	7.5
66.53740	0.6
69.26149	3.4
69.26581	3.6
70.43854	0.7
71.01235	1.4
73.02795	0.9
74.78589	0.7
80.04918	5.6
85.02797	0.9
92.04910	1.4
94.06503	7.9
95.03660	1.1
96.00789	1.0
96.08054	3.4
97.01571	3.5
98.20513	1.4
101.02312	1.4
104.04927	1.7
106.02867	1.7
106.06508	4.1
108.04439	2.1
109.02798	1.5
109.05215	3.0
110.05991	2.0
119.04897	1.2
120.04446	6.1
121.05263	1.5
122.05129	1.5
122.06009	29.0
124.03941	1.1
124.07565	35.5
126.05503	1.1
136.03926	13.4
136.07550	1.0
138.05455	1.9
140.07060	2.8
148.03940	61.7
148.07576	1.2
149.04335	2.2
150.03043	0.9
150.05510	17.2
151.00272	0.9
151.05801	0.7
152.03442	1.7
152.07043	2.3
161.04501	0.8
166.05013	17.7
167.05405	1.0
168.06581	11.4
175.11305	1.0
178.12248	1.6
180.02849	0.9
190.22789	0.6
194.04498	4.7
199.12296	1.0
210.04037	4.0
210.07631	0.8
213.06621	1.0
215.08206	1.0
215.11839	2.1
227.08237	1.6
228.09100	1.7
229.13354	1.9
230.10530	0.9
231.11366	7.1
241.09756	1.9
243.11337	3.4
244.08330	1.0
245.13014	1.1
255.11420	1.8
259.10870	0.9
273.12427	39.2
274.12741	2.1
287.55093	0.8
289.14383	2.3
290.12671	1.4
291.13489	41.4
292.13739	2.2
317.11392	11.5
334.11813	3.7
335.12463	100.0
336.12827	6.2
389.20786	8.0
398.29843	0.7
433.19531	18.5
434.19821	2.2
437.74240	0.8
449.85611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
53.72381	0.3
57.03336	0.7
58.41894	0.3
59.01250	23.7
60.01569	0.4
63.02266	3.4
65.00192	6.9
69.64167	2.1
71.01253	3.8
72.99168	0.6
73.02830	1.1
74.02404	0.3
75.00732	2.0
83.01254	6.4
85.02824	1.7
87.00753	0.6
89.02317	2.2
92.53324	0.4
93.03333	9.2
95.01274	0.6
97.94907	0.3
99.00715	0.5
101.02322	2.3
102.18634	0.3
103.03919	0.7
107.01272	14.9
108.02086	2.8
111.00787	0.5
112.02159	1.0
113.02313	1.3
117.97157	0.4
119.03502	0.8
119.04914	31.3
120.05227	1.2
121.02831	4.3
121.44933	0.4
122.03177	1.6
123.03360	0.5
125.02323	0.7
133.02940	0.4
135.04433	1.0
136.01576	2.5
142.03229	1.5
143.03465	0.4
143.04955	0.4
145.02806	0.7
151.00270	51.4
152.00633	1.4
161.04456	0.8
161.06052	0.5
164.01027	3.6
165.01845	2.9
169.01340	3.0
177.01849	9.7
178.02240	0.3
179.05386	0.4
187.03955	0.3
195.04955	0.5
196.00043	2.0
227.07149	0.5
229.04922	0.7
270.05017	0.5
271.06104	100.0
272.06433	7.4
392.30774	0.4
415.15225	0.5
433.11356	26.1
434.11499	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	433.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84143	0.1
55.01745	0.2
57.03325	0.4
58.00449	0.1
59.01247	29.3
60.01583	0.3
61.71567	0.1
63.02259	1.3
65.00190	6.3
67.01762	0.2
69.03333	0.2
69.19614	1.4
71.01249	3.7
72.39285	0.1
72.99172	0.2
73.02817	0.8
73.30927	0.1
75.00752	0.2
79.01778	0.2
81.03345	0.3
83.01253	5.3
84.01544	0.1
85.02817	1.3
87.00754	0.4
87.04389	0.2
89.02312	1.4
91.01785	0.4
93.03323	0.6
95.01246	0.3
96.95860	0.2
97.02802	0.8
99.00764	0.5
99.04404	0.2
101.02322	1.8
101.03858	0.4
103.01739	0.2
103.03849	0.3
107.01266	7.7
108.02063	0.6
109.02888	0.2
111.00719	0.3
113.02341	1.3
114.01050	0.1
115.05470	0.2
119.03404	0.6
119.04910	6.3
121.02847	1.1
123.00729	0.2
123.04370	0.2
123.08077	0.1
125.02369	0.8
129.07021	0.2
131.01300	1.0
135.00755	0.3
136.01611	0.1
137.02333	0.4
141.07014	0.7
143.03322	0.2
143.04918	5.4
144.05295	0.2
145.02844	14.0
146.03188	0.4
146.94514	0.1
147.04390	0.3
149.02289	0.2
151.00266	18.9
152.00690	0.4
157.06493	0.7
161.04536	0.6
161.05969	5.9
162.06310	0.3
163.00206	0.2
164.01028	0.4
165.01779	0.3
169.01344	0.5
169.06497	0.3
173.05917	0.1
175.00290	3.0
175.61494	0.1
179.05556	0.2
181.06448	0.2
183.04520	0.2
183.52689	0.1
184.05191	0.3
185.05991	10.8
185.11777	0.2
186.06343	0.5
187.03900	0.5
193.01305	0.5
195.04364	0.3
197.06017	0.5
199.03876	0.7
199.07539	0.4
199.13333	0.1
205.01283	0.2
209.06052	0.3
213.05501	0.9
215.07051	0.2
225.05505	1.2
227.03526	0.8
227.07050	0.4
228.04260	0.3
229.05006	100.0
230.05347	6.2
234.22899	0.1
241.05023	1.0
242.05753	0.4
243.06590	2.1
244.06702	0.1
253.05023	17.0
254.05348	1.2
255.06554	0.2
265.09186	0.2
271.06110	11.1
272.06448	0.9
283.06097	2.6
289.14279	0.3
295.06079	0.4
301.07056	0.3
313.07025	0.1
331.17444	0.2
343.08234	0.6
355.08008	0.2
373.09296	0.2
373.22455	0.8
391.23273	0.7
408.72360	0.1
415.10114	0.3
433.11340	4.6
433.18964	0.5
433.23172	0.2
433.28082	0.9
434.11810	0.6
434.17535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	52.0
65.06801	5.2
71.01241	30.8
71.52314	8.7
72.02026	7.4
73.02812	6.9
78.95760	9.5
83.04882	8.8
87.04385	70.0
99.00632	5.4
99.92442	31.5
115.91984	9.8
139.07509	31.5
152.99483	12.7
153.09102	25.4
171.01491	6.1
205.19498	9.1
261.22153	21.6
269.22650	7.1
271.81921	5.8
277.21689	10.7
287.23846	20.2
305.24820	100.0
349.23807	13.5
384.13855	14.4
387.23907	11.9
431.31232	15.1
432.15866	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	431.3164
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
58.12488	0.5
59.01251	4.3
71.52964	0.7
75.58913	0.4
81.47681	0.4
82.90622	0.4
91.55151	0.5
143.07877	0.5
152.99495	0.9
207.88562	0.5
281.04343	0.5
371.29416	1.3
431.31616	100.0
432.31998	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	433.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90070	0.5
55.91362	0.5
57.03320	1.0
59.01247	100.0
60.01581	1.4
65.00201	2.3
66.67720	0.5
69.03326	0.8
71.01247	9.1
72.99178	0.9
73.02815	4.0
79.01799	0.6
81.03345	1.1
83.01236	4.2
85.02815	5.0
87.00769	1.1
89.02312	4.0
93.03353	2.1
95.01283	1.3
97.02843	2.6
98.19693	1.3
99.00775	0.9
101.02326	7.0
107.01253	2.6
113.02320	5.7
119.03387	1.9
119.04913	8.8
121.02835	19.0
123.00757	0.8
123.04395	0.7
125.02338	6.8
135.04410	5.7
137.02376	0.8
143.03435	1.1
143.04890	1.2
145.02846	5.4
149.02336	1.2
151.00259	8.2
151.01390	0.8
155.08611	1.9
157.06494	2.0
160.03951	4.9
161.04498	2.2
161.05940	0.9
163.00308	0.9
163.03949	1.5
165.01848	1.5
167.03374	0.7
171.07936	0.6
175.00288	0.5
177.01871	1.3
179.05563	0.6
183.08192	0.7
185.05956	3.6
187.03972	0.7
193.01286	0.9
193.05121	0.6
199.07628	2.8
203.07039	1.0
204.02751	0.6
209.06085	0.6
227.07104	2.0
229.04976	8.3
229.08705	1.1
230.05576	0.6
241.05029	3.4
243.06551	1.3
255.06674	0.9
268.03751	3.1
269.04135	3.7
270.04404	5.2
271.06104	56.8
272.06424	3.5
274.65289	0.6
281.17059	0.6
283.06128	2.1
289.14322	0.8
301.07144	11.2
302.07611	0.9
313.06918	0.8
366.08295	1.4
373.18317	0.8
373.22165	2.9
391.23288	4.1
405.99637	0.6
433.10556	10.2
433.19626	1.5
433.24484	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.4
57.03327	1.8
57.20016	0.4
58.00476	1.3
59.01249	100.0
60.01582	1.6
61.01680	0.4
65.61843	0.4
66.83929	0.4
67.17755	0.4
69.03330	0.9
71.01252	24.6
71.52763	0.8
72.05248	0.4
72.93224	0.4
72.99181	1.3
73.02817	22.6
75.00738	0.6
81.03340	0.7
83.01252	7.2
83.01705	0.4
85.02817	7.1
87.00777	1.3
89.02315	11.5
93.03322	5.0
93.89362	0.4
95.01266	2.2
97.02837	1.2
99.00759	1.5
101.02319	20.6
103.03876	3.3
108.02043	9.7
108.02730	0.7
109.02843	6.5
109.06493	0.6
109.76012	0.4
110.89213	0.4
111.08074	0.8
113.02322	10.9
113.03078	0.7
117.05469	0.5
119.03396	4.3
121.02838	4.2
123.04423	0.6
125.02354	0.7
131.03418	1.9
135.00800	0.8
135.04465	0.5
136.07579	0.5
137.02437	0.6
139.11194	0.7
143.03435	2.2
149.04427	2.1
152.01048	11.3
152.02180	0.8
153.01880	3.4
153.09100	6.7
155.03471	0.7
160.03902	1.0
161.04460	5.6
179.05511	1.7
183.10213	1.3
198.85883	0.5
203.03772	0.6
203.05563	1.0
209.15373	6.0
222.17108	0.5
227.16510	1.2
265.09305	1.7
268.03763	1.3
269.04593	0.6
269.13962	0.7
287.22311	0.7
299.13168	0.5
315.07193	1.0
357.08337	0.7
371.16797	0.7
371.20792	2.6
371.24506	0.5
388.90323	0.5
389.21753	1.6
389.26062	0.6
431.12833	11.5
431.19223	5.1
431.27570	2.6
431.62851	3.5
432.13098	1.1
432.19281	0.8
440.18356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85132	0.5
55.01749	0.9
57.03331	1.0
59.01249	100.0
60.01578	1.2
65.10186	0.4
69.03326	0.5
71.01251	9.6
73.02814	4.6
76.14937	0.5
83.01265	2.0
85.02810	5.2
87.00763	0.8
88.52300	0.5
89.02316	1.5
95.01235	1.2
97.02854	0.7
99.00759	1.2
101.02316	7.2
113.02312	4.6
118.72807	0.5
125.02337	0.7
128.53766	0.5
143.03413	1.4
156.22620	0.6
161.04466	4.2
178.62616	0.6
191.14505	0.6
225.15005	1.5
227.16547	3.0
229.17059	0.7
249.55341	0.5
269.17764	1.3
371.20694	4.6
372.21252	0.8
389.21732	6.5
390.22104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	21.7
61.25378	1.0
69.40195	7.9
71.01241	2.8
73.02814	1.2
73.57205	1.1
74.76745	0.9
79.05402	3.5
85.02809	3.0
86.00207	0.9
89.02312	1.5
92.04933	6.8
93.03326	2.4
94.74757	0.9
98.20564	1.9
101.02289	1.7
107.04910	1.2
113.71250	1.0
119.04882	1.3
120.04427	2.2
121.02805	1.0
129.01756	1.3
130.04108	1.3
131.03651	10.3
132.04343	0.9
144.04445	4.0
145.06523	6.6
146.02397	1.8
147.08052	3.4
150.05460	2.1
151.00317	1.0
155.07306	6.1
157.05241	1.3
157.06477	3.5
158.05980	2.0
158.07219	1.5
169.08228	1.0
170.09677	2.0
172.10249	1.0
175.07585	13.1
180.08110	6.5
188.08357	5.4
196.07681	1.2
198.09164	63.3
199.09494	3.7
202.08583	5.0
204.10159	1.2
205.08510	1.2
214.08546	1.2
218.08049	1.0
220.07288	6.5
223.11244	2.9
224.07094	1.1
228.71474	1.0
230.08051	2.1
232.09735	100.0
233.10031	6.7
234.05524	1.2
236.07114	2.9
237.12901	1.3
238.12386	5.4
247.05949	1.1
248.07115	9.5
249.07874	12.7
250.12283	1.2
251.10503	1.1
253.12259	3.2
268.03787	4.7
269.04385	2.4
270.03979	1.8
270.15018	2.6
275.08456	1.4
280.13419	2.5
281.06921	22.3
285.06580	1.4
293.09293	75.7
294.09625	5.3
298.11868	1.5
310.14496	12.9
311.05637	1.3
347.18640	2.7
383.17685	1.2
401.18552	10.4
413.18658	1.7
431.09848	2.5
431.19739	24.6
432.20074	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	431.192
Annotation	(S)-Furanopetasitin
Peak:m/z	Relative Intensity
52.82489	0.6
57.03321	5.1
58.00461	1.7
59.00957	1.1
59.01250	19.3
59.04925	0.8
61.98693	2.2
65.35971	0.7
66.65688	0.6
69.03324	5.4
69.37236	5.0
71.01246	8.2
71.04881	1.3
73.02821	1.3
73.88522	0.7
83.01308	0.9
85.02820	20.3
87.00756	0.9
89.02316	2.7
93.06972	1.9
98.19845	1.2
99.00747	0.7
99.04385	1.1
101.02309	3.7
103.03889	30.2
109.06478	2.3
111.08031	2.1
113.02303	1.5
119.03343	0.8
123.08045	1.6
127.07542	7.1
137.05972	5.7
139.11188	7.1
145.04951	0.8
155.07030	5.1
165.09129	1.9
183.10202	13.3
197.11818	4.1
207.10199	1.1
225.11272	9.5
228.86064	0.7
247.08243	1.6
265.09302	10.8
369.12006	1.2
372.90622	0.7
431.19183	100.0
432.19583	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	431.1555
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
52.59943	3.8
57.03327	8.8
59.01247	100.0
62.26218	4.2
68.03593	3.4
69.82441	17.6
71.01254	88.2
72.99179	7.8
73.02812	6.8
75.00768	3.7
83.01277	10.6
85.02826	82.0
87.00790	6.6
88.51548	3.6
89.02316	86.8
98.20482	4.5
99.00777	7.0
101.02329	51.9
111.00706	4.2
113.02335	30.0
119.03397	34.7
119.04882	27.6
129.01854	5.8
131.03386	21.0
137.02335	9.5
137.06004	10.0
143.03377	7.4
144.43021	3.5
147.02911	8.1
149.04451	18.2
161.04486	9.1
179.03351	7.8
179.05544	7.8
191.01840	20.4
191.05547	24.5
209.02917	17.8
225.49536	3.7
232.06181	3.5
233.06592	9.9
239.05586	6.5
299.11343	57.4
431.10593	6.3
431.16132	45.2
432.15656	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	431.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80743	0.3
55.01738	0.3
57.03318	0.3
58.00461	0.4
59.01250	12.7
68.72159	0.2
69.03319	0.3
69.23130	2.5
71.01252	8.0
72.99180	1.1
73.02821	2.5
74.63273	0.2
81.03322	0.3
83.01279	0.8
83.04879	0.5
85.02816	3.2
87.00768	0.6
87.04352	0.3
89.02318	4.0
89.29215	0.2
93.03358	0.5
95.01282	0.4
97.02831	0.3
99.00726	0.7
101.02320	5.2
101.02995	0.2
103.03973	0.3
107.04901	0.3
109.02885	0.3
111.00770	0.4
111.04398	0.2
111.14929	0.2
113.02328	2.8
115.03871	0.4
119.03381	1.3
119.79398	0.2
121.02841	100.0
122.03169	2.8
123.04391	0.3
125.02354	1.1
131.03421	0.3
135.04410	25.6
136.04762	0.7
137.02316	0.3
140.94107	0.2
145.04916	0.3
147.06520	2.2
155.03401	0.4
161.04480	1.0
163.03909	2.8
165.07596	6.0
167.03358	0.8
189.07637	2.1
195.10144	0.3
205.07080	0.3
223.06056	0.8
231.08543	0.4
253.14450	0.8
268.03769	4.6
269.04471	3.1
270.04813	0.4
309.11905	5.5
310.12134	0.6
311.05582	0.3
431.09824	2.2
431.15555	1.5
431.19946	0.5
438.45496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01730	0.6
57.03311	1.1
58.00471	1.0
59.01249	40.5
60.01576	1.0
62.97889	0.5
62.99568	0.5
63.80703	0.4
65.35973	0.5
69.03325	1.1
71.01250	17.0
71.52435	0.7
72.99177	1.8
73.02814	6.7
81.03328	1.5
83.01265	2.3
83.04893	0.7
85.02821	5.6
87.00740	2.2
87.04379	1.4
89.02318	7.4
93.03347	0.9
95.01279	1.2
97.02862	0.9
99.00746	1.8
99.04388	1.1
101.02322	10.3
103.03876	2.7
103.74731	0.5
107.01266	1.0
111.00771	1.6
111.04424	0.7
113.02319	5.9
115.03800	0.5
119.03397	3.8
119.04868	0.5
121.02841	100.0
122.03146	3.4
124.01597	0.9
125.02327	1.0
131.03406	0.7
135.04411	32.3
136.04768	1.0
137.02332	1.2
139.03900	1.4
141.05429	1.0
143.03374	1.0
147.06535	1.7
149.04478	0.7
149.99541	0.7
150.27809	0.5
151.00266	0.8
155.83618	0.5
161.04486	1.9
163.03918	4.8
163.41443	0.4
165.07594	10.0
165.64554	0.4
166.02612	1.7
167.03470	0.9
168.00612	0.8
179.05579	0.8
182.18892	0.5
183.02895	1.9
185.14708	0.5
189.09129	0.4
193.05101	0.6
193.88290	0.5
222.06789	0.5
223.06038	1.4
225.03928	0.9
231.32281	0.4
240.04007	0.5
265.09247	3.1
268.03787	5.2
269.04556	2.5
285.06076	0.7
309.11853	6.9
310.12128	0.6
362.20166	0.5
371.10007	0.8
431.10300	3.0
431.15601	4.4
432.16254	0.8
442.15332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3365
Annotation	Stylisterol A
Peak:m/z	Relative Intensity
51.51352	0.1
55.82399	0.2
58.41762	0.2
59.01237	0.6
69.61668	1.1
71.01225	0.1
81.03372	0.2
98.20641	0.2
132.98026	0.2
134.36366	0.2
192.72545	0.2
221.71996	0.2
328.42816	0.2
429.33688	100.0
430.34024	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	431.098
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.41730	0.3
55.01760	0.6
56.50559	0.3
57.03328	0.4
59.01250	66.0
60.01567	0.4
63.02269	0.8
65.00211	0.7
71.01250	5.1
73.02808	2.3
78.23158	0.4
83.01260	1.9
83.79453	0.3
85.02810	2.4
89.02339	1.4
93.59278	0.3
101.02325	3.9
104.71126	0.4
107.01308	2.1
111.33308	0.4
113.02347	2.6
113.03031	0.5
117.03336	2.1
121.02837	0.6
143.03407	0.6
148.01665	0.4
149.02342	1.2
149.09622	0.4
149.99535	0.4
151.00279	4.0
161.04488	1.2
161.98718	0.4
171.04474	1.0
172.05249	0.6
183.04413	0.5
184.05280	0.6
196.05260	1.1
200.04739	0.6
211.03929	1.6
212.04660	0.5
225.05322	0.6
229.36353	0.4
239.03374	2.7
240.04234	4.4
257.96133	0.5
267.02948	1.5
268.03748	100.0
269.04449	28.3
270.04837	1.3
283.06192	0.5
311.05548	1.1
361.88217	0.4
371.20822	1.8
389.21701	4.9
431.09799	69.0
432.10071	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	431.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14364	0.7
57.03320	0.7
59.01247	43.5
69.72688	4.2
71.01260	5.8
73.02789	2.0
77.03826	3.0
79.01752	2.3
83.01239	0.8
85.02806	2.2
89.02279	3.3
93.03333	4.3
95.01262	1.0
101.02319	4.4
105.03349	1.4
105.22854	0.7
107.01275	0.8
113.02314	1.7
117.03339	14.2
118.03696	0.7
119.03375	1.1
119.04906	2.4
121.02814	5.5
123.04457	0.7
125.02273	0.8
133.02817	0.8
135.04430	4.3
137.02319	0.8
145.02797	0.8
147.04414	0.9
149.02296	2.6
159.04442	3.7
161.02344	7.1
161.04411	1.2
163.00224	1.2
163.03917	5.6
165.01813	1.6
169.06479	0.7
179.03419	1.0
183.04462	1.1
183.08057	0.8
191.03445	1.7
196.05211	1.0
197.06013	1.7
203.03377	1.4
211.07523	1.4
213.05626	0.8
215.07155	1.0
224.04747	1.1
225.05475	1.0
239.07036	1.9
253.05009	1.1
268.03720	4.7
269.04532	5.9
281.04547	7.7
282.05283	5.4
283.06082	64.0
284.06439	4.8
293.04471	2.2
295.06104	4.0
296.06699	0.8
311.05582	100.0
312.05908	7.5
314.04276	1.3
323.05573	7.6
341.06625	18.5
342.07025	1.7
353.06604	1.2
365.06860	0.7
383.07825	0.9
389.21890	1.4
413.08667	1.6
416.35135	0.8
431.09793	56.9
432.10147	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	429.285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01250	0.8
59.01245	100.0
60.01556	1.1
61.98699	5.1
66.81413	1.0
70.54592	2.2
70.54990	1.9
88.95754	1.0
158.73706	1.0
213.04453	0.9
277.21454	1.1
295.22714	10.7
314.75513	1.1
388.80148	1.0
429.29990	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	429.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55738	1.3
59.01246	100.0
61.98684	1.8
71.01257	1.7
73.02800	1.5
85.02837	1.4
89.02308	1.3
98.20165	7.1
110.74574	1.3
115.57890	1.3
123.14014	1.4
188.07521	1.4
279.55417	1.3
350.97275	1.4
369.27826	3.2
381.27875	2.3
381.68195	1.5
411.70703	1.6
429.29977	20.8
430.30374	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	429.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
71.52994	3.1
73.11441	1.7
73.30038	1.6
80.77018	1.8
110.01278	1.8
116.74390	1.8
254.81674	1.9
256.05536	2.0
309.96265	2.0
369.28003	4.6
429.29935	26.7
430.30515	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	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.0
58.00485	0.4
59.01246	100.0
60.01583	0.9
61.28811	0.3
64.94521	0.3
69.20955	2.9
71.01247	7.7
71.04905	0.8
73.02815	3.2
75.00738	0.6
81.03308	0.3
83.01265	0.8
85.02828	3.3
87.00753	0.8
89.02307	2.0
95.01296	0.5
97.02834	0.8
98.20557	0.6
99.00775	0.9
101.02322	3.8
109.06453	0.5
111.04395	0.4
113.02315	3.7
113.06026	0.3
119.03384	0.9
129.01923	0.4
137.09602	1.5
138.06757	4.6
143.03418	0.5
149.09702	0.3
151.11195	0.3
152.08472	0.3
153.09111	13.3
154.09439	0.7
156.12064	0.3
161.04440	1.7
191.10722	0.3
192.11549	0.3
194.18271	0.3
195.13791	0.3
207.13835	1.7
225.14900	17.4
226.15343	1.1
335.61945	0.3
369.19165	2.5
370.19644	0.4
387.20319	2.1
429.21423	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.5
57.03324	1.7
59.01248	100.0
60.01583	1.0
68.95999	0.5
69.03316	1.0
70.63007	0.5
71.01252	22.6
71.04890	0.7
72.02016	0.8
72.99181	1.1
73.02816	9.9
83.01254	4.4
85.02821	10.1
85.99944	2.7
87.00737	8.1
89.01851	0.6
89.02292	3.7
89.79813	0.5
95.01275	1.7
95.09753	0.6
96.42712	0.6
97.02831	1.3
99.00749	3.3
99.04388	5.0
101.02319	13.1
113.02319	7.3
119.03409	1.6
119.57555	0.5
121.02843	2.3
125.02361	1.3
131.03355	0.8
135.04379	1.0
136.64819	0.6
137.09644	1.3
143.03439	0.7
150.47160	0.6
151.11189	6.5
159.02942	1.1
161.04456	6.1
163.11189	3.4
181.12267	15.4
182.12660	1.0
183.03925	0.5
195.13840	1.2
203.05629	1.2
205.12386	0.6
207.13893	2.0
223.13359	1.6
225.14919	9.6
277.21933	0.6
297.16986	3.6
337.91144	0.6
369.19171	6.8
370.19434	0.7
387.20197	18.4
388.20547	1.1
412.25214	0.7
425.76520	0.6
429.14740	1.1
429.21252	4.9
432.09003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69548	0.4
55.01757	1.3
56.54799	0.6
57.03322	4.0
58.00471	0.8
58.10281	0.5
59.01248	100.0
60.01578	1.2
67.75239	0.5
69.03345	0.9
71.01251	18.0
71.09969	1.1
72.01604	0.5
72.99190	2.1
73.02815	9.5
75.00764	1.2
75.01256	0.5
81.03325	0.8
83.00774	0.7
83.01247	3.4
83.04903	1.2
85.02823	10.5
87.00743	14.1
89.02319	3.7
93.41698	0.5
95.01277	1.6
97.02843	1.7
97.06474	1.1
97.65150	0.5
99.00748	2.4
101.02316	15.4
111.00765	0.8
111.84134	0.5
113.02329	7.3
119.03354	2.9
121.06457	0.6
123.08084	0.7
125.02341	1.5
129.01859	1.3
137.09610	9.5
137.10620	0.6
143.03424	1.4
149.09625	1.0
151.11217	2.3
159.02914	1.4
161.04443	4.9
165.12791	1.4
167.13081	0.5
167.14285	2.7
189.12865	1.0
195.13889	2.2
207.13928	2.1
209.15369	3.0
211.13322	0.8
223.13406	1.8
225.14893	19.6
226.15366	0.7
231.58011	0.5
233.15437	3.0
249.15041	2.1
251.16588	1.2
261.14877	0.6
263.16614	1.4
267.15982	0.7
277.14618	0.6
279.16116	2.2
291.16165	2.0
297.17007	4.1
309.17062	0.6
349.86554	0.5
369.19159	11.9
369.23615	0.7
370.19534	1.3
380.04636	0.5
387.20236	14.8
387.24963	1.0
388.20755	1.2
402.75494	0.6
407.06558	0.6
429.21445	1.9
430.22287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
55.01753	2.6
57.03318	2.3
58.00456	0.6
59.01247	100.0
60.01590	1.3
68.08318	0.4
69.03307	0.5
70.41297	0.5
71.01251	27.7
71.52682	0.8
72.99191	1.4
73.02811	9.5
73.03197	0.8
74.98949	0.5
75.00756	0.6
77.81052	0.6
81.16930	0.4
83.01260	4.8
85.02293	0.8
85.02818	15.8
85.99969	1.0
87.00742	2.8
89.02313	3.6
95.01251	2.6
97.02841	1.1
99.00747	4.8
99.68587	0.5
101.02317	23.5
107.04920	0.6
108.02043	0.7
109.02855	0.6
111.00773	3.6
113.02327	11.1
119.03372	1.4
119.04882	0.6
121.02857	2.1
125.02301	0.6
143.03362	1.7
146.77837	0.5
149.05916	0.5
152.01120	0.8
153.01831	0.6
159.02933	2.3
161.04457	9.4
171.10226	1.0
171.18660	0.5
205.03409	0.6
225.14919	0.8
255.16325	0.5
313.15240	0.5
313.20502	0.6
343.21222	23.5
344.21454	2.2
357.14404	1.2
369.18991	1.3
385.21405	0.9
387.20184	1.7
387.24274	0.8
388.20496	0.5
429.21152	27.1
430.21533	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	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.3
57.03314	1.4
57.17453	0.2
58.00472	0.3
58.33611	0.3
59.01246	100.0
60.01592	1.1
69.03312	0.3
69.28896	1.7
69.29302	0.4
71.01247	9.3
72.99171	0.4
73.02806	4.3
83.01263	1.5
83.04879	1.2
85.02820	4.3
85.03281	0.2
87.00790	0.3
89.02303	1.9
92.29916	0.3
93.03378	0.3
95.01266	0.8
97.02850	0.6
97.06481	0.8
99.00768	0.9
101.02317	6.4
107.79575	0.2
111.00754	0.4
113.02322	3.6
113.03062	0.3
119.03386	0.6
123.08053	0.7
125.02342	0.7
137.09610	1.3
143.03419	0.6
149.02440	0.3
149.09621	0.4
151.11206	2.0
159.02930	0.5
161.04456	4.0
163.03886	0.3
165.12729	1.3
167.14316	1.7
172.02100	0.2
181.12329	0.3
189.12857	1.0
189.28210	0.2
191.02016	0.3
195.13773	1.6
203.05603	0.5
205.12198	0.3
207.13832	1.8
209.15433	0.4
223.13411	0.7
225.14900	24.5
226.15201	1.9
245.17770	0.2
249.14908	0.6
291.16238	0.3
369.15298	0.3
369.19440	1.1
387.20303	2.1
429.14178	0.3
429.21686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02968	0.5
57.03324	4.4
59.01249	72.9
60.01583	1.6
71.01254	11.5
71.04890	6.4
73.02823	3.8
80.94507	0.5
83.01255	1.7
83.04908	0.6
85.02841	3.3
97.02853	0.7
99.00767	1.3
99.04402	2.3
101.02310	4.7
113.02318	2.4
123.08060	3.1
125.02409	1.0
125.05963	0.8
125.09657	0.7
135.07996	0.7
136.05174	3.7
137.09610	7.1
139.07526	0.7
151.07574	1.4
151.11198	5.9
152.08311	0.7
153.09158	4.8
153.12720	2.3
154.09450	0.6
155.10677	1.9
161.04413	2.5
163.11185	4.3
165.09134	1.3
167.10727	1.2
179.14346	0.9
181.12263	6.8
189.12753	1.0
189.72124	0.5
195.13841	7.9
197.15353	2.9
203.05524	4.8
207.13853	5.4
223.13300	1.2
224.13774	0.7
225.14905	100.0
226.15260	7.1
229.38223	0.6
301.95459	0.6
369.19171	1.5
370.10294	0.8
387.20099	1.4
429.21213	1.6
444.00949	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32917	0.3
59.01231	0.4
69.71233	0.5
69.71642	0.8
90.46351	0.2
94.89807	0.2
99.92448	4.7
100.92540	0.4
100.93227	3.0
109.34628	0.2
115.91957	100.0
116.21938	0.2
116.91965	4.4
116.92744	6.2
117.92687	0.3
132.92238	1.5
142.94379	0.2
155.95155	0.3
167.81766	0.2
172.95380	6.2
173.95509	0.2
175.54677	0.2
255.23297	0.7
283.89474	0.2
297.49704	0.2
331.04251	0.2
355.15894	0.7
371.15509	0.4
381.17621	1.1
411.18561	0.3
429.19559	4.6
430.19901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20243	1.3
59.01248	14.9
61.98703	3.4
64.01812	2.0
65.03799	1.5
71.01244	2.1
71.52782	1.6
79.05393	2.5
87.00751	2.8
89.02270	1.7
92.04913	5.7
93.03289	2.9
93.88371	1.2
96.95876	3.6
98.20313	1.1
105.06953	9.7
107.03618	2.7
108.04420	5.6
115.05409	6.2
116.04951	6.2
118.02881	3.3
128.30836	1.2
131.03650	43.4
132.04411	2.9
136.03918	2.8
140.04979	4.2
144.04442	65.9
145.04807	3.4
145.10133	7.7
146.02380	6.7
156.04417	4.2
157.05232	14.9
158.05984	4.4
159.08043	5.6
160.03909	3.0
161.04453	1.6
162.01793	2.1
168.04449	43.1
170.06044	1.3
172.03955	2.8
172.07591	18.0
174.06783	1.9
181.05234	20.0
182.06023	100.0
183.06352	5.5
184.03882	1.8
191.06021	1.7
193.07738	2.0
194.06027	5.6
196.03899	4.5
196.07593	5.7
198.09171	10.3
199.06232	1.8
204.06656	1.4
205.66911	1.3
206.09677	1.6
207.06970	2.3
208.07625	4.9
209.07137	1.6
212.03455	4.4
212.07100	4.6
213.07748	1.4
214.04968	2.1
214.08630	10.1
216.08118	4.1
218.05946	1.5
221.08339	4.6
222.09163	24.9
223.09564	2.5
224.07098	1.9
224.10567	1.7
225.07890	3.0
226.08578	1.5
230.08177	18.7
232.07759	1.8
234.09204	9.4
236.07066	2.2
238.08568	1.5
240.10210	3.9
248.05821	3.3
252.10040	1.4
274.07501	7.3
284.12830	4.7
285.10287	3.0
294.08142	1.5
295.08698	5.5
297.06479	2.2
298.07413	7.5
299.07977	1.6
311.08185	4.3
312.08917	4.1
313.09814	56.9
314.10165	8.1
323.08115	1.6
330.61447	1.3
335.11880	7.3
336.12283	1.5
337.09821	2.5
338.10580	8.5
351.11246	2.3
352.12231	1.5
353.12924	58.0
354.13586	6.2
356.11719	1.4
369.18857	1.8
371.13986	3.0
411.17029	1.6
429.18069	12.7
429.30081	1.7
430.18680	2.3
447.34583	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95341	0.7
55.82299	0.7
57.03302	2.5
57.46591	0.7
58.00450	0.7
59.01247	69.9
71.01249	19.6
71.52915	0.9
72.99174	2.1
73.02811	6.8
75.00736	2.8
77.51527	0.7
83.01253	3.0
83.04903	1.2
83.90369	0.7
84.02063	0.8
85.02824	15.6
87.00738	2.5
89.02315	9.5
92.02522	1.0
92.04926	10.4
93.03329	32.3
93.05255	4.1
94.03671	1.1
95.01243	3.1
101.02315	12.2
103.03877	7.5
107.04894	2.6
108.02054	1.4
109.02834	1.2
111.00764	1.4
111.04378	2.2
113.02354	5.7
119.01274	1.1
119.03377	3.3
121.02836	10.0
123.04411	1.4
125.02289	1.3
126.29379	0.7
128.03436	1.1
133.02884	0.8
135.04417	6.7
136.01532	13.9
136.03915	2.3
137.02344	31.8
138.02716	1.0
138.09128	0.8
143.03387	1.3
146.15648	0.8
149.02327	2.2
149.05951	0.9
151.03920	4.9
152.01089	0.8
161.04474	1.1
162.78796	0.7
163.00237	1.4
163.03844	1.3
163.07513	1.2
163.11049	0.9
164.07047	1.7
165.09171	1.4
176.00993	1.2
177.01801	1.0
179.03419	20.9
179.05011	1.4
179.05675	1.0
180.04015	0.7
181.01349	23.5
182.08220	0.9
191.01822	1.7
191.03406	2.1
209.04636	1.6
221.11752	2.6
222.12102	2.4
223.02435	43.6
223.09816	1.0
223.12347	2.8
224.02744	2.3
225.07570	1.6
225.11249	1.9
225.14931	4.0
237.06059	2.0
239.05627	4.3
247.09750	1.5
248.09279	6.4
249.09557	10.6
253.03511	5.6
265.09064	7.8
266.11011	2.5
267.11353	4.2
283.04581	83.3
284.04883	4.9
309.11768	1.2
325.05600	2.1
343.06674	35.9
344.06873	2.2
385.11044	1.8
387.20145	1.2
411.09378	2.3
428.16241	2.0
429.10266	100.0
429.16052	12.1
430.10544	7.9
430.16791	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	429.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97610	0.9
51.45402	0.9
52.37139	1.2
54.07315	0.9
55.01754	3.6
57.03323	14.7
59.01250	3.5
61.98700	1.5
67.01756	2.0
67.07893	1.1
67.30657	1.1
68.99704	1.8
70.71281	1.3
71.01237	6.3
71.51543	1.6
72.99187	4.1
73.02818	3.2
75.00736	3.9
78.93118	0.9
81.03324	3.6
83.01251	9.4
84.02038	2.5
85.02821	100.0
86.03162	1.4
87.00740	1.3
87.11464	1.1
93.03383	1.4
99.00772	2.8
101.02328	4.7
103.03915	1.1
105.54477	1.2
108.02046	2.8
109.02840	2.1
111.00760	28.9
113.02314	2.3
121.02838	5.3
123.20441	1.2
125.02324	7.7
129.01828	42.3
130.02240	1.2
137.02339	4.1
143.03389	1.9
149.02324	9.1
152.01051	2.3
161.04442	4.3
164.04698	5.5
187.02440	1.8
205.01651	2.3
205.03462	32.9
206.03691	1.3
223.04344	16.8
223.06172	4.2
297.19049	1.1
315.07141	3.1
429.14063	2.2
430.32391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.8
57.16710	0.6
59.01030	3.7
59.01367	10.9
64.58092	0.5
68.57915	0.6
69.03428	1.1
69.25159	5.9
71.00957	1.4
71.01389	5.3
72.99290	0.6
73.02961	2.5
81.03421	0.8
83.01360	1.1
85.02972	5.3
87.00869	0.7
89.02434	1.1
93.03483	2.4
95.00871	0.6
95.01400	1.5
99.00836	0.9
100.53921	0.6
101.02477	3.7
105.96118	0.5
108.01029	2.0
108.02218	56.1
109.01797	1.2
109.03002	26.4
113.01649	1.3
113.02497	6.1
121.03007	2.4
123.00861	1.4
123.04557	2.3
125.02457	1.0
129.01942	0.5
133.02925	1.5
135.04501	1.1
136.10277	0.5
137.02338	5.1
149.02486	0.9
151.04099	2.0
151.99312	2.4
151.99895	3.0
152.01048	66.0
153.01837	27.3
154.02287	0.9
161.04614	1.1
163.00377	0.8
163.04060	2.6
163.11308	0.8
163.84709	0.6
165.01991	2.5
165.05612	0.7
177.01913	1.1
179.03481	1.1
192.04355	2.4
199.98619	0.7
202.41092	0.5
207.06561	3.4
214.92479	0.7
265.09140	0.6
268.03824	1.7
269.04507	7.2
270.04929	0.9
282.14261	0.6
315.07202	100.0
316.07529	5.6
345.24536	0.6
385.14694	1.1
429.10046	20.3
429.22586	0.7
430.10345	1.6
431.09637	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.9
59.01248	78.6
66.19221	1.1
71.01250	18.4
71.52615	1.6
72.99162	1.3
73.02803	4.6
75.00735	3.6
83.01250	2.4
83.04906	1.5
85.02814	15.3
87.00773	2.5
89.02322	10.5
92.04933	7.5
93.02766	2.1
93.03332	30.0
93.05227	2.8
95.01242	2.3
99.00730	2.0
101.02306	9.4
103.03893	9.9
107.04904	2.4
108.02060	1.9
109.02803	1.3
111.00703	1.4
111.04379	2.1
113.02323	6.4
119.03367	4.2
121.02824	9.4
125.02342	1.4
132.05644	1.3
135.04390	5.1
136.01529	10.0
136.03902	2.7
137.02348	24.0
145.04944	1.1
149.02344	1.5
151.03931	5.4
153.01773	1.4
161.04449	2.3
163.00223	1.9
163.03827	1.8
169.12428	1.1
176.01027	1.9
179.03409	17.1
179.05086	1.5
179.05466	1.3
180.99745	2.0
181.01324	19.5
191.01884	2.6
191.03490	1.4
209.04395	1.8
216.33485	1.1
221.11720	1.8
222.12048	2.8
223.00349	2.1
223.02431	34.9
223.06030	1.6
223.09776	1.5
223.12175	1.9
225.07700	2.3
225.11224	1.7
225.14893	3.9
237.06084	2.7
239.05417	3.3
247.09581	1.1
248.09369	4.8
249.09607	9.4
253.03435	2.6
265.09296	3.8
266.11185	2.3
267.11374	4.2
283.04578	67.6
284.04996	2.9
290.20880	1.2
309.12146	1.3
325.05453	1.3
343.06677	36.2
385.01407	1.1
385.11157	2.3
387.16345	1.5
411.09402	2.2
428.16058	1.6
429.10275	100.0
429.16107	14.0
430.10657	10.8
430.16769	3.8
446.30460	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3212
Annotation	CHEBI:70533
Peak:m/z	Relative Intensity
57.54040	0.6
59.01244	1.2
68.79456	0.5
69.75921	2.9
71.68782	0.5
79.25592	0.5
89.44273	0.5
108.30446	0.6
129.24080	0.7
210.25549	0.5
398.11359	0.5
427.32129	100.0
428.32458	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	428.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81072	1.4
59.01249	12.0
61.98701	100.0
70.39532	4.7
71.50249	1.3
76.79293	1.4
98.15054	1.1
116.04990	1.5
209.87399	1.3
306.19769	1.3
428.18042	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	428.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	15.1
61.98700	100.0
69.33676	9.0
78.88668	1.0
84.54952	1.0
104.71357	1.0
108.04442	1.6
131.03712	1.6
198.09166	5.6
238.45268	0.9
366.19049	1.0
407.11844	1.1
429.30145	1.4
437.63168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2437
Annotation	Cytochalasin Z10
Peak:m/z	Relative Intensity
59.01236	8.3
71.52709	3.5
76.43355	2.2
104.14066	2.2
112.22047	2.1
131.19287	2.2
157.06496	3.1
171.07988	2.8
187.77153	2.2
215.07222	3.1
235.43997	2.1
255.10101	2.6
261.11264	2.7
269.11783	5.5
285.15033	2.5
315.16071	17.8
316.16437	2.4
319.56674	2.5
339.19504	2.8
339.23529	2.4
357.24435	6.2
364.70660	2.4
383.22287	30.8
384.22479	4.9
401.23257	31.0
402.23904	2.7
407.59760	2.7
410.23364	4.0
428.24362	100.0
429.24759	11.0
429.29968	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	427.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01584	1.4
61.98701	6.6
68.04963	0.9
69.88932	1.1
71.53096	1.9
73.06631	0.9
96.95876	3.6
98.55540	1.1
118.89818	1.3
154.25032	1.1
177.73935	1.0
224.75319	1.0
293.21246	5.5
427.28458	1.9
447.77847	1.2
447.83929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01575	1.4
61.98691	3.3
62.43352	0.9
71.01245	1.1
91.03889	2.5
171.10184	2.0
198.76320	0.9
225.03410	0.9
229.12231	1.0
235.13695	0.9
275.20029	2.5
293.21170	10.0
294.31992	0.9
311.22217	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25086	0.7
52.69877	0.7
59.01246	100.0
60.78508	0.7
61.98682	1.4
68.36744	0.8
69.27793	6.9
71.01244	0.9
73.46177	0.7
98.19990	3.3
121.10072	1.1
124.05188	1.1
137.05981	1.1
139.07526	3.4
165.09081	1.8
168.07741	0.9
231.86739	0.7
253.03561	0.8
293.21146	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	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.0
57.03325	2.7
58.00463	0.7
58.79437	0.4
59.01251	100.0
60.01589	1.0
69.03318	1.8
69.71122	1.4
69.71542	0.8
71.01255	13.6
72.99176	0.6
73.02821	8.8
76.87610	0.3
81.03346	0.4
83.01256	2.9
85.02827	4.2
87.00769	2.1
89.02325	3.4
95.01272	0.5
99.00764	1.2
101.02322	7.4
107.04930	1.3
108.02071	0.8
111.08027	0.9
113.02339	4.0
119.03397	1.2
121.02899	0.5
121.06498	0.4
131.03409	0.4
137.09648	0.8
143.03389	0.5
147.08128	0.4
149.05994	0.5
149.68637	0.4
151.11235	0.7
152.01105	0.9
161.04489	1.4
161.09668	0.6
163.11214	9.6
164.11617	0.5
165.09128	1.9
171.08124	1.2
179.10695	0.5
181.12260	23.4
182.12640	1.3
187.11212	3.0
189.09167	0.5
189.12750	3.9
190.09944	6.1
204.11591	1.1
205.12265	7.1
205.14055	0.5
218.01387	0.4
221.11874	0.6
223.13309	1.9
229.12415	1.0
231.13858	0.4
247.13530	1.0
265.07236	0.6
265.10922	0.5
307.11880	0.7
330.75201	0.3
352.45633	0.4
367.17731	1.0
373.42090	0.5
427.16336	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99023	0.6
54.14698	0.6
55.01779	0.7
57.03323	3.5
58.00479	1.3
58.99478	1.2
59.01249	100.0
60.01587	0.9
62.61935	0.6
67.01745	0.6
67.48297	0.6
69.03340	1.3
69.49868	4.8
71.01255	20.1
72.99212	0.8
73.02818	17.5
75.00768	0.8
83.01256	6.0
83.04885	3.7
85.02829	6.0
87.00748	5.3
87.04433	0.6
89.02318	6.7
93.03339	4.9
95.01281	1.2
97.02830	1.0
99.00776	1.6
99.04403	3.7
101.02317	16.7
102.98473	10.2
111.00800	0.8
113.02334	7.6
113.05977	4.4
119.03408	2.3
119.04932	0.8
121.02856	0.7
123.08047	3.2
125.02365	0.8
131.03386	1.0
137.02312	3.4
137.09651	1.1
139.07649	0.6
143.03394	1.4
149.04436	0.7
153.09216	1.4
155.03561	0.7
161.04407	3.6
161.09653	1.4
163.11150	5.0
165.09044	2.9
176.04796	1.3
176.08369	0.9
179.05687	1.2
181.12247	8.9
187.11191	7.7
189.09204	1.0
189.12773	1.7
190.09949	2.7
191.03517	0.7
203.10812	1.1
204.11578	1.0
205.12251	10.6
206.12675	0.7
219.10225	1.0
221.11966	0.6
223.13356	3.8
229.12225	0.8
233.11824	3.4
245.08121	1.5
247.13484	1.0
259.13419	1.7
263.09134	4.0
277.14505	1.4
283.15579	2.3
325.56384	0.7
326.07260	1.4
333.86621	0.6
356.37744	0.6
367.13702	1.1
367.17776	1.7
385.14893	1.1
385.18930	6.7
386.19128	0.6
427.20407	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	427.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
57.03320	3.5
58.00469	0.9
58.99486	2.1
59.01247	100.0
60.01585	1.1
62.35661	0.4
62.89459	0.4
69.03324	1.2
71.01251	20.4
71.04866	0.7
71.52574	0.4
72.01620	0.6
72.99188	1.0
73.02817	18.1
75.00742	0.8
81.03336	0.7
83.01257	5.1
83.04884	2.7
84.02058	0.4
85.02813	6.5
87.00751	4.4
89.02318	6.1
93.03322	7.4
94.42993	0.4
95.01265	0.8
97.02852	0.7
97.06475	0.5
99.00776	1.2
99.04399	3.4
101.02320	15.6
102.98470	12.7
107.04900	1.0
108.02077	0.4
109.02880	0.5
109.30018	0.4
110.38229	0.4
111.00768	0.8
111.04391	0.6
113.02325	7.6
113.05981	2.6
119.03394	2.6
119.04857	0.6
121.02856	1.3
123.04401	0.4
123.08041	2.4
125.02355	1.8
131.03383	1.0
135.04373	0.7
137.02335	7.0
137.09644	1.1
139.07573	0.6
143.03387	2.1
147.08087	0.5
148.05182	0.4
149.04536	0.7
149.05920	0.5
153.01866	0.4
153.09126	1.0
153.12732	0.5
154.27057	0.4
160.03932	0.9
161.02371	0.4
161.04478	4.2
161.05931	0.6
161.09642	1.1
162.57344	0.4
163.00652	0.6
163.03947	0.6
163.07565	0.5
163.11182	5.8
165.09143	3.3
171.08113	0.7
175.11238	0.6
176.04759	1.2
179.05508	0.5
181.12239	10.5
187.11183	5.6
188.11606	0.7
189.12836	1.8
190.02618	0.6
190.09901	3.5
191.03476	0.9
203.05455	0.5
203.10757	0.7
204.11507	1.4
205.05075	0.9
205.12267	11.8
205.14061	0.7
206.12723	0.7
219.10291	1.8
221.11757	0.7
223.06180	0.9
223.09795	0.8
223.13368	4.4
229.12370	0.5
233.11772	3.1
241.14348	0.6
245.08151	1.2
247.13484	0.9
255.03040	1.4
259.13446	1.6
263.09189	5.5
265.07132	0.8
265.10934	1.0
277.14474	1.5
283.02655	1.0
283.15497	1.9
295.15509	0.6
297.08008	0.5
325.56876	1.5
326.07181	2.9
349.16660	0.5
367.14032	1.6
367.17673	1.4
382.12228	0.5
385.14825	1.4
385.18829	5.3
386.19257	0.9
398.09503	0.5
427.15256	3.7
427.20215	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34444	0.5
58.80748	0.4
59.01246	11.6
59.86733	0.4
71.01250	11.8
72.99191	0.5
73.02818	1.6
77.03834	0.6
83.01235	1.0
85.02818	1.3
89.02312	1.7
93.00702	0.5
93.03328	0.6
95.01254	0.6
99.00768	0.8
101.02307	3.7
108.02039	0.8
113.02336	1.5
119.03366	0.6
121.02834	100.0
122.03165	3.0
134.06102	0.6
135.04402	91.6
136.04773	3.2
147.04451	0.5
163.03908	10.4
179.03409	0.7
193.04999	1.3
193.08611	0.5
216.09399	0.5
217.05096	0.6
221.04695	0.6
223.06073	2.6
247.94617	0.5
265.09268	0.7
292.38062	0.5
316.53256	0.5
427.16049	33.2
428.16315	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	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81197	0.6
55.01752	0.7
57.03319	2.1
59.01249	100.0
59.92041	0.6
60.01596	1.5
69.03325	0.7
69.44359	2.5
69.44781	2.7
71.01250	20.4
71.01616	1.2
73.02810	8.9
76.13584	0.7
83.01263	4.5
83.04898	0.9
85.02817	9.0
87.00753	1.7
89.02319	6.8
95.01246	1.6
97.02827	1.2
99.00764	1.5
101.02316	13.7
101.02926	1.1
103.03872	7.8
107.04926	0.7
109.06477	1.0
113.02318	9.9
113.05988	1.2
119.03404	2.5
123.04494	0.7
123.08089	1.5
125.02359	1.0
125.05947	1.0
131.03419	0.9
133.02847	3.1
135.04379	3.3
135.08102	0.9
136.05212	2.2
138.06735	5.6
139.07562	1.9
139.25066	0.7
143.03394	1.9
146.02393	1.1
147.00961	0.8
149.06009	0.9
151.07526	7.4
152.04781	0.9
152.08330	15.4
152.09474	1.2
153.09113	40.9
154.09470	2.0
161.02341	18.6
161.04398	4.2
161.05859	1.1
163.07590	2.0
165.09131	1.5
179.03409	4.6
190.02734	1.0
193.08736	0.8
205.05084	1.9
205.08780	1.3
205.12245	15.4
206.12534	0.7
221.04556	0.9
221.11824	2.1
223.06096	1.4
223.13326	4.2
247.09848	1.1
251.05531	1.2
265.08948	22.0
266.09653	1.8
281.06586	1.4
341.08768	1.5
367.17676	6.3
385.18686	2.3
427.12250	16.2
427.19839	2.0
428.12805	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.7
59.01250	12.9
65.03806	1.2
67.01746	0.8
69.20240	5.7
69.20648	1.3
71.01248	6.5
72.99171	0.7
73.02816	4.9
74.32236	0.7
79.95566	0.6
83.01251	2.1
83.04903	1.1
85.02826	1.4
89.02321	2.0
92.04927	5.9
93.03317	2.0
99.00748	0.8
101.02328	3.5
103.03953	0.7
106.04079	0.6
107.04896	1.5
108.02043	6.4
109.02843	8.0
111.04460	0.9
113.02322	1.8
116.92746	0.9
119.01274	1.0
119.03381	0.9
121.02831	13.1
122.03631	16.4
123.04451	0.8
123.08013	1.2
133.02829	4.3
134.03615	1.4
135.04358	1.7
135.08012	0.7
136.03926	1.2
137.02307	0.7
145.06487	0.9
147.04433	0.8
147.11752	1.2
149.02377	3.8
149.05969	3.1
151.07544	1.1
152.01051	2.8
153.09099	2.6
159.08116	0.8
163.03882	1.3
163.07556	3.9
164.04697	3.0
165.01820	2.7
175.00261	4.6
175.07597	0.7
177.01817	9.7
177.05664	0.8
179.03474	0.8
181.01257	0.7
190.02614	12.2
191.10701	7.3
193.08655	1.2
203.10672	5.8
205.05017	14.2
205.08632	1.1
205.12285	1.7
206.05559	0.9
221.11771	52.5
222.12146	3.0
223.06071	5.2
247.06055	2.3
247.09718	28.1
248.09264	7.6
265.10791	49.9
266.11240	3.6
288.50003	0.8
427.16080	100.0
428.16183	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	427.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19390	0.7
57.03326	4.0
58.00469	1.4
59.01247	95.9
60.01602	0.8
62.01287	0.6
69.50850	2.3
69.51257	2.7
71.01252	27.1
72.99176	1.8
73.02816	9.5
83.01263	3.9
83.04876	1.0
85.02818	25.4
86.03147	0.7
87.00752	1.7
89.02307	23.0
93.03332	0.9
95.01265	1.7
95.04931	0.9
97.02813	2.0
99.00786	0.8
99.04406	1.1
101.02312	22.6
103.03883	33.9
104.04184	0.8
109.02842	1.3
109.06469	0.9
113.02330	10.7
119.03381	7.9
121.02847	2.9
122.02309	1.1
122.03625	1.3
131.03371	1.5
133.02834	18.9
134.03578	1.2
135.04410	16.6
136.03908	1.5
136.05135	0.7
137.02357	1.6
137.09554	0.7
138.06766	5.5
139.07536	1.4
143.03397	1.7
145.04987	1.6
149.02301	1.4
149.05920	1.9
151.07549	6.1
152.08337	11.1
153.09116	33.3
161.02341	79.7
161.04240	4.3
162.02644	2.9
163.07436	0.7
163.11157	1.4
164.04684	1.7
165.09157	0.9
167.07130	0.8
174.14734	0.7
174.98062	0.7
175.00241	2.5
177.05440	4.7
179.03406	20.0
179.05576	1.2
179.06989	0.8
187.11215	0.8
190.02641	7.8
190.09724	0.8
195.13860	1.1
203.10651	0.8
205.04985	9.1
205.12253	14.2
221.00945	0.9
221.04514	6.4
221.11700	2.5
223.06012	2.1
223.13348	3.3
233.04263	0.8
239.12753	1.3
247.09677	1.6
251.05531	4.3
253.83528	0.8
265.09244	100.0
266.09470	4.9
281.06552	7.1
312.16730	0.7
321.49902	0.7
323.07584	0.9
341.08786	4.8
367.17651	3.7
368.61465	0.7
385.18393	1.1
427.12195	44.5
428.12506	5.7
453.82693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24990	0.4
51.52194	0.4
57.03333	0.8
59.01249	15.2
67.01754	3.1
69.36912	2.6
69.37331	1.2
71.01254	4.2
73.02824	2.4
83.01225	0.7
83.04895	0.4
85.02837	1.2
89.02315	1.6
95.86549	0.4
101.02313	1.8
107.04887	0.6
113.02325	1.2
119.03403	0.5
119.08553	5.5
121.02844	1.2
121.06518	0.7
135.04398	1.7
139.79984	0.4
145.02847	1.2
147.04390	1.1
148.05190	0.5
149.02353	0.4
149.05952	0.8
149.09630	0.4
151.07588	0.5
161.02315	0.7
161.05998	0.9
163.07552	81.2
164.07898	4.3
173.19072	0.4
178.39583	0.4
179.03403	0.4
187.07529	0.8
189.05525	2.0
190.02589	0.6
193.08688	0.5
195.13814	0.6
203.10710	3.2
205.04912	0.5
205.08690	2.8
205.12323	0.8
207.06618	0.8
219.10216	0.5
221.11789	16.2
222.12186	1.1
223.06050	0.7
223.13368	0.7
239.12872	0.6
240.81268	0.4
247.09737	12.8
247.15485	0.4
248.10176	1.0
265.10791	100.0
266.11166	6.7
385.18695	0.4
394.38541	0.5
412.70969	0.4
427.10962	0.6
427.16248	3.2
443.04416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92130	0.9
59.01249	28.1
60.66709	0.9
61.98701	69.9
69.54176	5.5
83.86811	0.7
92.04894	1.0
129.63663	0.9
131.03648	1.1
161.02328	1.9
198.09204	7.6
199.07472	1.2
211.03937	55.4
212.04341	3.5
223.75380	0.9
225.05547	3.0
226.08618	1.3
227.07076	100.0
228.07423	8.2
279.10373	1.0
293.21176	3.1
294.12863	0.9
302.04602	1.1
304.06134	7.0
305.11774	2.1
326.59790	0.9
327.15314	1.0
344.09268	1.0
426.17050	47.9
427.17227	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	426.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29832	0.9
54.13759	0.9
54.25083	0.8
59.01239	4.4
59.01503	1.0
61.98700	100.0
64.05584	1.0
64.68059	0.8
71.01221	1.2
71.52914	1.3
71.98862	0.9
123.09084	0.9
146.02380	1.2
147.36467	0.9
177.37408	1.0
189.29570	0.9
285.35068	1.0
311.07956	1.2
427.28494	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	425.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.1
59.01247	100.0
61.16317	0.8
61.98699	6.5
71.01249	29.6
71.52357	1.5
72.99174	6.8
73.02821	1.1
75.06525	0.8
89.02304	1.9
99.00740	1.1
113.21583	0.8
115.00248	16.3
129.98410	1.0
133.01331	10.4
139.11134	1.1
167.10637	2.3
171.10181	1.4
213.11266	2.0
214.11832	1.2
240.13647	2.1
273.18713	1.6
291.19653	13.4
292.19843	1.6
293.21259	1.5
298.01251	0.9
298.26132	1.1
307.19070	0.9
309.20703	95.8
310.21051	7.7
313.03473	2.0
318.49976	1.0
328.05783	2.6
347.01108	1.2
407.20859	1.8
425.25461	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	425.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64553	8.1
58.13667	8.6
59.01252	76.7
69.22820	100.0
96.95892	9.9
98.20628	15.7
130.39870	9.9
136.75117	9.9
182.37634	11.8
182.39252	9.0
248.80006	11.1
313.72256	9.2
425.25766	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	426.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92130	0.9
59.01249	28.1
60.66709	0.9
61.98701	69.9
69.54176	5.5
83.86811	0.7
92.04894	1.0
129.63663	0.9
131.03648	1.1
161.02328	1.9
198.09204	7.6
199.07472	1.2
211.03937	55.4
212.04341	3.5
223.75380	0.9
225.05547	3.0
226.08618	1.3
227.07076	100.0
228.07423	8.2
279.10373	1.0
293.21176	3.1
294.12863	0.9
302.04602	1.1
304.06134	7.0
305.11774	2.1
326.59790	0.9
327.15314	1.0
344.09268	1.0
426.17050	47.9
427.17227	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	425.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92655	0.6
59.01249	100.0
60.01590	0.8
63.38640	0.8
64.34189	0.6
71.01260	21.4
72.15466	0.7
73.02816	1.7
74.26788	0.7
75.00764	1.0
76.86652	0.7
80.40292	0.7
83.01284	0.8
85.02848	2.2
87.00748	1.4
101.02320	4.4
113.02365	2.6
118.74461	0.8
135.84866	0.7
147.06500	6.1
161.04477	2.8
173.08127	1.4
201.07613	6.3
219.10246	0.8
245.10376	2.3
263.09131	0.7
263.11469	4.7
291.10654	0.9
305.12357	7.6
307.95767	0.7
333.12027	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	425.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02931	0.8
57.03315	1.9
59.01249	100.0
59.18739	0.8
60.01566	1.1
61.98703	1.1
62.63536	0.9
69.03339	1.0
69.79131	5.5
74.06979	1.1
80.62252	1.0
83.04919	1.1
95.04857	0.9
95.80029	1.0
97.02829	2.2
103.33041	1.0
147.11743	0.9
170.12598	0.9
203.14380	1.8
228.10504	1.2
247.13315	3.0
250.23474	1.0
347.22260	21.7
348.22623	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	425.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57960	1.7
56.07729	1.6
57.03304	1.8
58.89142	1.6
59.01247	100.0
71.01237	2.2
75.67446	1.4
97.02822	4.8
99.08053	1.9
128.29558	1.5
129.09103	2.2
147.11710	2.0
203.14294	2.4
217.12277	2.0
219.13972	1.6
229.24211	1.7
247.13254	4.3
252.16487	1.7
347.22229	48.7
348.22610	6.0
391.23410	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	425.1453
Annotation	(R)-Peucedanol 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.29753	0.8
59.01251	1.9
69.89805	2.8
71.01254	1.1
90.45729	0.8
93.03341	1.8
95.04897	0.8
101.98052	0.8
106.04119	47.6
107.04942	8.6
113.02314	1.2
119.04892	2.6
121.02836	2.8
138.03123	7.8
147.08067	1.1
150.03134	1.9
150.69197	0.7
158.91498	0.8
159.08075	1.0
160.68764	0.8
166.48581	0.8
169.72893	0.8
173.09744	0.8
175.11191	100.0
176.11523	6.5
182.02110	1.6
183.08109	1.3
185.05942	1.1
199.07640	0.9
199.36757	0.8
201.09140	9.3
202.09369	0.9
203.07083	0.9
219.10207	62.3
220.10603	4.2
221.11833	1.4
244.15474	0.8
245.08128	9.9
247.15196	0.8
263.09229	30.2
264.09503	2.3
305.10239	3.3
346.25577	0.7
425.14471	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	425.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62766	2.9
59.00955	5.0
59.01249	100.0
60.58743	2.9
62.08204	2.6
69.34942	22.3
98.19799	4.0
126.12698	2.8
167.14349	3.2
168.40634	3.7
241.18039	4.7
252.96977	3.0
283.18976	4.9
424.30518	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	423.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27422	0.8
59.01246	100.0
60.01571	1.0
69.52997	5.2
71.01249	3.9
74.39076	0.7
97.02806	2.6
99.08003	1.7
135.04321	1.2
177.09076	1.7
201.12793	5.5
203.10608	1.0
227.10655	0.8
245.11746	3.0
283.20615	1.9
345.20532	1.8
363.21600	1.3
423.21906	1.1
423.49741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01587	1.2
61.98702	1.4
69.03345	0.8
69.81935	0.5
69.82263	4.0
71.01261	4.4
98.19859	0.8
99.08046	2.1
109.02853	0.9
113.09602	0.9
131.82367	0.7
135.04408	3.3
177.09151	1.4
195.60139	0.6
201.12849	6.0
203.10663	0.7
245.11810	3.8
248.07475	0.7
250.45334	0.6
283.20816	1.8
287.12781	1.4
301.21872	1.5
345.20728	2.7
374.15976	0.7
423.21942	2.6
423.32620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59352	0.5
51.11408	0.4
71.22864	0.5
71.23212	0.9
76.71530	0.5
78.95769	5.1
110.98404	3.6
127.36935	0.5
152.99489	0.7
167.01057	2.4
185.02083	2.7
192.11848	0.5
255.23250	100.0
256.23587	7.7
423.25171	8.1
424.25439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28152	0.6
59.01250	6.5
70.53779	1.4
70.54144	1.3
77.72099	0.6
78.95774	8.1
82.87054	0.6
110.98433	6.5
139.30231	0.6
152.18767	0.7
167.01031	4.4
167.05569	0.7
179.71269	0.6
185.02097	3.0
204.38287	0.8
255.23253	100.0
256.23624	7.1
423.25082	10.4
424.25494	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	1.3
59.01249	100.0
60.01561	0.9
69.03315	1.9
69.21609	8.1
69.22016	1.7
71.01248	3.3
83.04919	1.5
89.02308	2.4
95.04900	1.1
97.02824	4.5
98.19870	2.1
101.02335	1.1
107.08535	0.9
111.08006	1.2
113.02327	1.2
125.06027	1.1
131.03596	1.6
151.00278	1.1
155.07301	0.9
170.09789	0.9
170.83102	0.8
180.08072	2.4
180.37323	0.9
198.09149	17.5
199.09421	1.2
203.14351	1.0
209.11751	2.9
211.13297	1.9
219.01422	0.9
224.10730	9.7
247.13278	2.4
301.09741	3.4
321.62738	1.1
341.10681	1.2
345.20636	15.3
423.20740	1.4
435.96490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.7
59.01250	100.0
60.01593	1.5
70.54348	1.5
70.54688	0.9
71.01254	9.9
72.99194	1.3
73.02829	2.8
75.00753	0.9
81.30926	0.6
81.75652	0.6
83.01254	1.6
85.02824	3.0
85.45646	0.7
87.00768	1.2
87.04401	1.0
88.63544	0.6
89.02315	5.0
99.00809	0.8
101.02314	7.9
113.02337	3.3
119.03424	2.6
125.02334	0.9
126.05495	0.8
151.00327	1.1
159.10220	1.8
161.04500	2.3
183.10193	0.8
224.71049	0.7
261.04187	1.7
285.08780	1.0
287.74451	0.9
303.14523	4.6
309.12241	1.1
321.15524	9.6
363.16385	4.9
423.10327	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	423.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35101	1.9
53.56931	2.0
59.01246	100.0
59.56150	2.0
61.98699	3.2
69.18701	21.1
83.04903	2.5
91.80430	1.8
97.02826	4.5
98.20595	3.3
99.15713	2.2
109.06512	2.4
111.08028	4.6
125.05994	3.3
132.05675	2.6
149.05927	2.3
155.07280	2.1
180.08138	1.9
187.11159	7.6
187.48193	2.2
198.09187	21.9
203.14317	2.5
215.20790	2.0
217.12164	5.3
224.10768	12.9
281.32178	2.1
301.09921	4.1
345.20667	41.4
346.20956	4.5
423.17532	20.2
424.18564	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	423.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56750	1.2
55.01744	2.1
58.00462	2.7
59.01249	100.0
62.74682	1.1
65.47250	1.2
67.32480	1.5
69.03322	10.7
69.65853	8.0
71.01249	67.4
72.99138	2.9
73.02808	12.2
75.00732	3.7
81.03335	2.3
83.01263	4.6
85.02810	14.2
85.03224	1.4
87.00742	3.7
89.02314	66.5
95.01260	3.8
97.02828	17.5
98.19801	1.9
99.00762	16.4
100.55813	1.4
101.02319	20.0
109.02837	1.9
111.00750	1.7
113.02308	9.6
115.03906	5.4
119.03387	3.0
121.94260	1.3
125.02330	32.6
125.03242	1.7
131.03392	8.1
143.03374	5.1
149.04471	10.8
159.10153	1.4
161.04443	6.4
173.04333	1.4
175.05872	1.4
191.05519	5.2
233.06631	28.0
293.08749	23.7
294.09091	1.5
303.14420	3.8
321.15436	4.7
347.97189	1.5
363.16559	3.7
423.09879	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61742	0.9
55.77910	1.2
59.01250	100.0
60.01591	1.0
69.03315	1.2
69.55643	2.9
69.56073	3.7
71.01245	18.7
72.99175	1.1
73.02809	4.2
75.00748	1.6
83.01266	1.2
85.02820	7.5
87.00725	2.2
87.04368	1.1
89.02314	12.0
94.59034	1.0
95.01242	1.2
97.02830	2.2
99.00739	3.0
101.02316	9.1
101.06041	1.1
113.02341	6.5
119.03408	1.8
125.02318	3.6
131.03415	1.9
159.10143	2.8
161.04434	4.0
201.11229	1.3
230.33180	0.9
233.06509	2.2
243.12012	1.3
303.14426	9.1
309.11874	1.3
321.15491	13.2
363.16611	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	423.1292
Annotation	3,4-Dihydro-1,2-secomicrominutinin-9-O-glucoside
Peak:m/z	Relative Intensity
55.01740	0.5
57.03318	0.5
58.00461	0.8
59.01247	22.6
60.01554	0.4
60.98247	0.3
64.95615	0.3
68.51346	0.3
69.03309	0.4
71.01249	12.2
72.99168	1.2
73.02807	1.0
83.01228	1.3
85.02821	2.5
87.00723	0.8
87.43368	0.4
88.55183	0.3
89.02310	10.9
93.03341	0.5
95.01232	1.1
95.69556	0.4
99.00729	0.5
101.02314	6.6
106.77670	0.3
111.00743	0.6
113.02327	4.6
117.05444	0.6
119.03391	4.8
125.02327	0.6
135.85701	0.4
137.02284	0.3
143.03369	0.4
143.08504	0.4
148.03867	0.3
151.03897	0.9
159.02802	0.4
161.04433	0.6
172.05179	0.4
179.05487	0.7
183.04366	0.4
187.07584	0.5
190.02625	0.7
194.86777	0.4
197.06084	0.8
199.07553	0.8
203.03502	0.7
215.07100	0.9
219.10156	0.7
225.05586	0.6
227.03442	20.5
228.03976	1.5
230.52570	0.5
241.04990	0.6
243.06580	100.0
244.06929	6.3
245.08160	1.6
261.07645	5.6
381.17700	0.4
384.52191	0.4
423.12955	25.5
424.13278	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2593
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
51.80568	0.9
57.03324	1.9
59.01245	10.7
61.98663	0.9
63.02277	2.9
65.00190	6.6
65.03854	1.1
68.98746	0.8
69.03331	1.3
69.45983	3.4
69.46415	3.8
69.84361	0.9
81.03339	1.7
83.01270	3.4
83.04883	8.2
85.06490	3.2
87.04420	1.0
92.04931	0.9
93.03336	1.7
96.95888	1.2
97.06491	2.9
107.01266	10.9
109.06493	2.1
111.08079	3.5
116.47369	1.0
118.08411	0.8
119.04980	2.2
121.06516	0.9
123.04403	2.3
123.08099	1.6
125.09606	8.9
127.11210	0.8
133.06548	1.3
135.08028	1.0
137.02324	1.3
137.09689	0.9
151.00275	36.9
153.01805	1.5
164.01091	0.9
165.01843	2.3
167.03438	2.4
167.10742	0.8
169.01419	2.2
171.08121	1.9
171.10182	25.4
173.09717	1.9
174.48387	1.0
177.01851	1.6
183.08043	5.8
185.11792	2.5
187.14908	1.3
197.09724	1.6
199.11206	42.6
200.11694	2.2
205.15901	4.8
209.11818	3.7
211.13274	6.0
215.14412	2.2
221.15474	3.0
231.13855	4.5
233.15416	30.9
234.15863	2.0
239.16626	1.2
249.14923	13.1
250.15315	1.0
251.14323	1.9
251.16599	2.8
252.13548	1.2
257.17685	1.9
269.15463	9.1
269.17801	1.1
323.24084	1.2
331.26480	1.9
341.24982	2.9
351.12460	3.3
359.26007	1.9
375.25653	1.6
377.27197	2.5
385.23834	6.9
391.04642	1.0
393.26596	2.6
403.24872	60.2
404.25186	8.0
421.16736	70.1
421.25818	100.0
422.17123	9.0
422.26147	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	421.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79627	0.8
57.48222	0.8
59.01250	100.0
60.01594	0.8
69.03308	1.3
71.01257	4.8
71.52747	1.0
82.21898	1.0
91.48339	0.9
96.95874	1.1
97.02821	2.5
97.06456	1.6
109.02834	0.9
119.04937	3.7
132.05762	0.7
140.69836	0.9
146.49532	0.8
151.00247	2.8
161.09579	1.0
173.09619	2.6
177.09100	1.3
187.03889	0.9
196.97049	0.9
199.11217	1.7
201.12766	3.3
203.10626	1.8
217.04977	1.4
229.12169	1.0
245.11815	2.6
257.84689	0.9
269.15317	1.0
281.19269	0.9
343.18967	1.3
421.16428	11.2
422.16751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97229	0.5
71.01267	1.1
71.01613	0.8
78.95769	28.9
80.83663	0.5
110.98410	52.9
117.93809	0.5
152.99489	4.6
167.01080	1.3
185.02122	100.0
186.02486	2.3
189.39554	0.5
253.21709	27.5
254.22037	2.2
268.22919	0.6
302.61664	0.5
421.23712	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	421.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	14.4
59.01248	58.5
70.00350	19.8
70.88654	3.7
71.01261	6.9
79.95612	9.1
83.01247	5.4
85.02824	6.6
86.76241	3.6
90.28831	4.3
93.03323	14.0
95.04929	4.5
96.95893	42.8
109.02851	5.0
109.06449	7.9
111.04384	19.9
119.04870	4.4
121.06501	19.2
123.08070	4.4
125.05969	7.7
135.08058	9.9
135.11653	5.7
137.09630	10.6
138.06743	15.4
139.07553	93.1
145.02824	4.1
151.15755	4.1
153.09117	46.2
161.09566	7.3
167.10689	10.2
177.09016	5.6
179.10712	9.0
183.06555	100.0
184.06854	5.7
191.10536	6.2
193.12280	17.0
207.10107	5.5
211.13322	14.5
255.12073	5.0
271.20520	14.2
289.21786	5.2
311.74524	5.9
315.19614	6.1
333.20651	16.9
377.19659	55.6
412.67627	5.0
421.13626	6.5
421.18698	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51330	1.0
51.51398	1.1
53.31278	1.0
54.28171	1.3
57.03321	4.9
58.00456	1.6
59.01248	100.0
71.01251	55.6
71.04855	1.2
71.07423	1.8
71.07746	2.0
72.99182	5.1
73.02824	5.6
75.00739	14.5
78.82676	1.0
81.08234	1.2
83.01244	6.7
83.04892	1.3
85.02811	13.9
85.03204	1.2
87.00743	8.6
89.02312	24.8
93.03294	1.2
95.01279	2.3
97.02879	1.1
99.00768	4.0
101.02320	22.4
101.02928	1.8
103.03895	3.4
106.88219	1.2
108.02068	4.2
109.02927	2.4
111.00757	6.9
113.02335	16.1
115.03905	4.8
115.91969	1.9
116.92736	10.1
118.50395	1.0
119.03395	8.2
120.01139	8.5
120.99573	1.1
121.02819	6.1
123.04368	1.4
125.02389	1.2
129.01828	5.8
137.02353	1.8
141.06624	1.3
143.03442	3.2
143.10742	1.2
149.02351	2.1
152.01144	1.4
153.01712	2.0
155.10582	1.1
159.02887	3.2
161.04491	5.0
163.03931	1.6
166.02681	1.5
170.16992	1.0
177.03996	8.6
179.05569	3.9
181.04895	2.2
195.05017	19.6
197.11809	2.1
215.12860	5.5
223.13274	1.2
241.14450	5.5
265.09344	2.1
327.09778	1.8
335.21378	1.4
359.16943	2.2
361.18613	2.9
371.09885	1.7
377.08780	4.6
377.18127	79.2
378.18533	7.7
403.19901	4.0
421.09558	4.8
421.15686	3.1
421.20947	59.0
422.10464	1.4
422.21301	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27570	2.7
57.03318	16.7
59.01253	34.5
66.52189	2.5
69.03322	6.1
71.01262	3.2
71.04880	3.0
71.53070	3.9
74.22681	2.6
79.95602	3.0
83.01241	3.6
83.04874	4.1
85.02826	5.6
93.03329	5.3
95.04902	3.2
96.95876	10.2
97.06468	5.5
109.02852	3.9
109.06468	8.1
111.04385	18.6
119.04944	4.3
121.06480	29.4
122.03563	3.9
123.08074	5.5
125.05957	7.8
125.09578	3.0
135.08015	10.1
135.11662	6.4
137.09627	11.7
138.06783	18.9
138.62961	2.9
139.07544	93.5
149.09648	6.4
153.09117	48.5
157.12296	3.7
161.09624	8.3
163.11168	4.2
165.09041	4.0
167.10674	9.6
174.05476	4.5
177.09073	7.5
179.10646	11.2
183.04906	5.0
183.06551	100.0
184.06927	3.3
185.79478	2.6
187.30879	2.8
193.12213	10.6
207.10204	6.5
208.07521	2.8
211.13327	17.6
255.12340	10.9
258.78931	2.9
261.18750	3.1
271.20660	11.4
277.14398	3.9
289.21561	5.6
297.18640	9.0
315.19623	10.5
333.20758	14.3
334.20642	2.9
377.19669	49.4
378.19904	6.2
410.84729	2.8
421.25793	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	421.1865
Annotation	Sinuolatin B
Peak:m/z	Relative Intensity
59.01249	100.0
61.98641	3.4
64.37666	2.7
69.46944	2.8
69.47246	24.4
78.95744	2.9
92.04913	5.7
93.99427	3.1
95.45123	2.8
96.95871	5.7
98.20531	6.3
100.90058	3.0
135.09036	3.0
138.89816	3.8
146.32712	3.0
148.03912	11.6
245.08102	6.6
421.18707	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	421.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.7
63.02260	2.3
65.00188	6.9
71.52452	0.7
71.52817	0.7
74.10471	0.5
75.00755	0.8
76.51438	0.6
80.10976	0.5
83.01250	2.6
94.04311	0.6
103.05373	0.7
105.06966	1.3
107.01258	7.4
107.04896	3.7
119.04897	1.4
123.04420	1.3
125.02377	0.5
129.07001	1.6
131.04916	3.7
132.05721	2.7
133.06471	1.6
136.01486	0.9
149.05989	5.7
151.00270	26.4
159.08037	1.0
164.01086	0.8
164.04716	1.3
165.01797	0.9
167.03453	1.5
169.01337	2.1
169.06485	3.3
171.08057	1.2
173.06003	7.3
173.09628	15.5
174.09982	0.8
175.03902	1.7
177.01855	1.5
179.03500	0.7
183.08076	4.3
185.09634	20.6
186.09976	1.5
187.04028	0.8
196.00049	0.8
197.09653	1.4
199.11205	26.0
200.11566	1.3
203.10703	15.4
204.11078	0.6
217.04993	32.2
218.05357	1.9
231.06517	2.2
241.15842	1.3
243.06456	0.9
251.14348	1.9
269.15463	8.1
347.25870	1.4
351.12347	2.2
403.15308	1.0
421.16519	100.0
422.16852	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	421.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72067	0.6
57.03334	0.8
58.00464	1.0
59.01247	100.0
60.01593	1.3
63.39223	0.7
69.27785	6.4
71.01248	31.5
72.01576	0.8
72.99184	1.8
73.02809	11.1
75.00769	1.4
83.01259	5.7
85.02818	10.9
87.00758	2.2
89.02313	26.9
95.01266	2.1
99.00746	2.3
101.02319	22.2
102.51778	0.7
103.03896	0.7
105.01836	1.0
107.65355	0.6
108.67690	0.7
111.00775	1.2
113.02324	13.7
119.03385	8.4
120.01080	0.7
123.05350	0.7
125.02338	1.2
131.03384	8.3
137.02289	0.8
143.03429	2.8
149.04471	6.4
150.72768	0.7
161.04472	6.4
163.03905	0.7
170.92908	0.7
176.72551	0.7
179.05530	4.8
191.05524	10.5
203.05574	0.7
203.53726	0.7
204.22786	0.9
217.10820	0.8
233.06685	1.9
247.11914	3.7
265.09436	1.0
289.13025	1.2
379.16058	11.3
380.16583	0.9
403.43539	0.8
421.16254	4.0
421.21732	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	421.1655
Annotation	Orientanol C
Peak:m/z	Relative Intensity
55.27620	0.4
59.01263	2.1
61.24852	0.4
65.00186	3.5
69.57799	1.7
69.58212	0.9
79.05424	0.4
85.92410	0.4
89.75403	0.3
98.19733	0.4
103.05431	0.9
105.06985	1.1
107.04905	6.9
112.17774	0.4
129.06976	2.3
131.04936	4.9
133.06491	100.0
134.06834	3.7
137.02440	0.3
145.06508	0.9
145.71715	0.4
147.08022	0.4
149.05989	7.3
158.03719	0.5
159.04404	0.7
169.06563	0.5
172.05206	0.7
173.05994	10.3
175.03964	2.0
185.09662	5.3
189.05566	0.5
191.07129	0.6
203.10704	22.2
204.11006	1.4
208.53159	0.4
217.05002	44.3
218.05338	1.4
231.06589	1.3
351.12360	3.3
353.82761	0.4
421.16531	54.9
422.16931	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	420.2754
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
50.96054	0.3
56.60513	0.3
57.45721	0.3
59.01249	1.6
63.72469	0.3
69.34016	0.3
69.95508	0.3
71.53289	0.4
71.53677	0.4
93.03308	0.8
96.55733	0.3
96.95909	0.3
110.92417	0.3
121.02839	100.0
122.03171	3.1
163.12102	0.4
263.19083	0.3
394.35886	0.3
420.27527	52.9
421.27826	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1652
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
59.01252	2.7
63.02260	2.3
65.00188	6.9
71.52452	0.7
71.52817	0.7
74.10471	0.5
75.00755	0.8
76.51438	0.6
80.10976	0.5
83.01250	2.6
94.04311	0.6
103.05373	0.7
105.06966	1.3
107.01258	7.4
107.04896	3.7
119.04897	1.4
123.04420	1.3
125.02377	0.5
129.07001	1.6
131.04916	3.7
132.05721	2.7
133.06471	1.6
136.01486	0.9
149.05989	5.7
151.00270	26.4
159.08037	1.0
164.01086	0.8
164.04716	1.3
165.01797	0.9
167.03453	1.5
169.01337	2.1
169.06485	3.3
171.08057	1.2
173.06003	7.3
173.09628	15.5
174.09982	0.8
175.03902	1.7
177.01855	1.5
179.03500	0.7
183.08076	4.3
185.09634	20.6
186.09976	1.5
187.04028	0.8
196.00049	0.8
197.09653	1.4
199.11205	26.0
200.11566	1.3
203.10703	15.4
204.11078	0.6
217.04993	32.2
218.05357	1.9
231.06517	2.2
241.15842	1.3
243.06456	0.9
251.14348	1.9
269.15463	8.1
347.25870	1.4
351.12347	2.2
403.15308	1.0
421.16519	100.0
422.16852	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	419.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11403	7.6
59.01250	71.6
61.98701	25.7
62.00507	8.4
67.67650	8.1
68.99717	9.1
69.21149	18.5
69.21486	100.0
71.01240	17.5
80.97964	7.9
83.10715	10.5
84.28046	8.4
85.02799	13.8
86.30013	7.9
94.78272	7.6
96.95889	9.4
99.00755	21.3
119.52799	10.9
130.57060	9.3
156.77057	11.0
160.84154	24.8
174.32402	9.5
227.15765	10.3
254.66461	10.1
263.47345	9.5
345.13434	10.1
345.20465	12.4
419.23611	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	419.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01581	0.9
61.98699	2.1
66.04173	0.5
69.29637	0.5
69.29955	3.9
71.01244	0.7
84.63647	0.4
88.03926	1.0
95.66545	0.4
98.19833	0.8
99.00731	0.4
119.04895	0.4
133.03444	0.4
136.73247	0.4
147.86520	0.5
150.27556	0.4
166.05043	0.6
170.85942	0.5
199.02669	0.4
271.48474	0.4
301.22284	0.5
372.05341	0.5
419.09927	0.6
419.24554	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.0
58.00454	1.7
59.01249	48.0
61.08298	0.9
66.44903	0.9
69.59773	6.4
71.01259	24.8
72.54092	1.0
72.80414	0.8
72.99169	3.3
73.02825	3.3
75.00718	2.1
83.01258	2.3
85.02824	7.6
87.00764	1.2
89.02318	20.4
95.01266	2.7
98.19899	1.9
99.00741	2.0
101.02325	17.4
101.02990	0.9
110.20190	1.0
113.02338	9.6
116.92099	1.0
119.03365	8.2
121.02843	1.1
126.42882	0.9
130.77490	0.9
142.34723	0.9
151.11316	1.1
161.04489	1.7
177.12766	20.2
178.13179	1.8
178.89337	0.8
195.04988	1.0
197.86203	1.0
204.34654	0.9
215.04489	1.2
221.11819	1.3
239.12747	1.7
256.73404	1.0
272.03601	1.1
287.05493	1.6
359.17105	2.4
401.18204	17.4
402.18643	1.7
419.19223	100.0
420.09421	1.1
420.19540	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	419.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19507	15.3
51.88253	14.1
52.47040	14.5
59.01253	100.0
61.98700	27.7
71.01272	18.9
71.52173	18.7
75.00719	14.2
81.85823	12.6
85.02817	23.4
99.00779	19.8
107.26769	13.8
108.02062	18.9
137.99794	15.1
156.00539	17.0
157.13951	15.5
160.84151	48.1
195.42613	14.0
198.68642	13.9
218.11118	12.6
306.21069	15.6
358.14548	13.8
419.24045	30.0
424.38336	16.4
438.54041	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	419.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16298	0.4
59.01248	100.0
60.01581	1.3
61.98043	0.4
69.37476	1.9
69.37901	1.8
71.01257	3.0
73.02823	1.9
75.00761	0.5
83.01266	0.6
87.00723	0.6
89.02324	1.2
97.08853	0.4
98.20492	0.8
101.02319	2.2
113.02319	1.0
117.90842	0.5
119.03412	0.6
119.04979	0.5
134.03539	0.5
135.04399	0.5
146.78296	0.4
147.03151	0.4
161.04514	0.5
162.03105	0.6
163.03911	1.5
171.10236	0.5
182.17522	0.5
269.04459	0.5
281.09268	0.9
317.16373	0.6
345.22891	0.8
352.15497	0.5
419.10553	0.9
419.19235	1.9
419.26535	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24863	2.5
57.03328	3.0
59.00957	5.4
59.01246	100.0
61.32037	2.2
62.92318	2.5
65.89214	2.8
68.71352	2.5
71.01248	14.3
73.02804	10.4
83.01250	3.7
85.02819	6.7
85.51407	2.5
89.02322	6.2
93.03319	4.7
99.00683	3.1
101.02325	14.8
103.03881	3.2
113.02306	3.6
125.73436	2.7
137.02351	4.8
144.62958	3.0
171.10229	3.3
176.06592	2.6
197.09657	7.3
209.69250	3.0
218.60295	2.8
345.22787	9.7
373.10239	5.9
419.19141	10.5
419.26395	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	419.0983
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
63.68060	0.3
69.51605	1.7
69.52008	0.6
81.03319	1.0
81.76337	0.4
90.31306	0.4
93.03365	0.6
95.09042	0.3
108.02048	100.0
109.02885	12.8
110.03185	0.4
120.97993	0.4
121.02849	4.9
123.00764	0.4
123.04400	0.9
133.02856	0.8
135.00748	0.6
151.03934	2.6
152.01050	48.1
153.01845	16.4
154.02115	0.8
163.03912	1.4
165.01804	1.1
191.66710	0.3
297.06158	0.5
325.54282	0.4
419.09821	62.6
420.10172	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	419.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00957	6.6
59.01248	100.0
60.01545	5.8
71.01255	35.1
71.52254	8.4
71.76689	5.2
72.99147	8.3
75.00732	9.1
79.34647	5.6
83.01244	12.3
85.02811	25.6
87.00741	10.6
89.02300	23.5
95.01241	10.4
101.02313	22.1
109.02821	14.2
111.00760	30.6
113.02312	14.2
119.03349	10.4
119.04889	5.5
121.02856	6.6
121.85961	5.1
123.04413	13.7
125.02305	18.7
130.08607	19.9
135.04396	85.8
136.11810	7.3
137.02310	7.1
151.03889	35.5
169.13358	23.6
173.00763	7.6
190.09474	6.4
191.01874	7.2
195.05046	9.8
205.03481	11.8
211.14328	6.8
213.03908	7.4
231.05136	10.3
255.13420	14.1
419.19888	36.5
422.03238	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	417.2643
Annotation	Pallinin
Peak:m/z	Relative Intensity
50.44162	0.4
55.01744	0.7
57.03330	1.0
59.01248	1.6
69.03328	5.1
75.00735	0.4
78.95779	2.1
78.98458	0.8
80.89407	0.5
83.04898	4.2
83.05710	0.5
97.06459	1.5
99.04390	21.6
110.98409	1.0
123.08047	1.7
137.09651	0.5
139.55795	0.4
147.11668	0.7
149.09616	0.9
149.13260	0.6
165.12790	0.6
167.10680	1.0
167.14268	0.6
198.09181	0.8
219.17430	0.4
251.16510	0.4
257.19147	0.7
273.22263	1.2
278.56445	0.4
297.19586	0.4
317.21164	9.2
318.21503	1.0
335.22238	2.7
373.27295	0.6
405.89069	0.5
417.26428	100.0
418.26807	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	417.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66182	0.6
59.01248	100.0
60.01588	1.4
61.98703	1.3
71.01259	1.8
71.52635	0.7
73.34963	0.6
82.95586	0.5
85.02830	0.6
89.02348	0.8
91.03878	1.5
99.08035	1.2
101.02367	0.8
106.04129	4.4
107.04926	3.1
109.37286	0.5
115.43441	0.6
119.04935	2.6
121.02812	0.9
138.03119	1.7
151.00267	1.2
161.09573	1.5
166.02641	0.6
171.10211	3.4
181.04968	0.9
193.12199	3.2
211.13345	0.8
216.11816	0.7
225.14886	3.6
229.15952	8.6
230.16212	1.3
243.13664	0.7
243.16069	1.7
273.14917	17.5
274.15253	1.2
278.45279	0.6
306.58359	0.6
343.24854	19.8
344.25284	2.1
357.19357	0.7
417.19250	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62921	0.3
59.01247	100.0
60.01575	1.1
69.27346	1.1
69.27769	2.0
70.73624	0.3
71.01247	0.7
85.02825	0.6
89.02313	0.5
98.20592	0.7
99.25524	0.3
99.86370	0.3
101.02324	0.8
109.93887	0.4
113.02319	0.4
121.02839	0.4
132.49055	0.4
138.14149	0.3
161.02380	0.5
166.02641	0.4
174.05563	0.9
181.05019	0.7
268.85385	0.4
273.15143	0.5
293.58414	0.3
360.08807	1.0
375.27621	1.3
392.58026	0.5
416.37665	0.4
417.28821	0.8
418.13037	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54142	0.4
59.01250	100.0
60.01578	1.2
60.35110	0.4
71.01259	2.7
73.02821	1.2
83.01264	0.5
85.02825	1.9
89.02324	1.3
101.02339	2.0
113.02330	1.5
119.04912	0.5
120.75712	0.4
121.02845	0.6
137.02402	0.6
161.04459	0.5
166.02634	0.6
181.05063	1.1
224.63838	0.5
285.84045	0.4
375.27563	0.9
417.20529	0.7
417.29236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54142	0.4
59.01250	100.0
60.01578	1.2
60.35110	0.4
71.01259	2.7
73.02821	1.2
83.01264	0.5
85.02825	1.9
89.02324	1.3
101.02339	2.0
113.02330	1.5
119.04912	0.5
120.75712	0.4
121.02845	0.6
137.02402	0.6
161.04459	0.5
166.02634	0.6
181.05063	1.1
224.63838	0.5
285.84045	0.4
375.27563	0.9
417.20529	0.7
417.29236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2642
Annotation	Pallinin
Peak:m/z	Relative Intensity
55.01755	1.2
59.01249	3.9
69.03333	5.4
71.01247	0.8
71.52280	0.8
71.52671	1.3
83.04894	3.0
97.06470	1.5
99.04395	27.0
113.02377	1.0
123.08033	1.3
126.07627	0.7
147.11612	0.7
167.10680	0.9
178.78232	0.7
203.76891	0.7
212.73332	0.8
269.04562	2.1
273.22290	1.7
317.21146	8.7
318.21411	1.1
328.00781	0.7
335.22296	2.2
417.26422	100.0
418.26718	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	417.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18999	1.1
57.03331	1.9
59.01249	63.5
59.55308	1.0
60.01540	1.1
60.28364	0.9
69.16773	4.9
69.17200	7.4
71.01250	21.2
72.99178	3.4
73.02812	4.7
75.00735	2.6
83.01276	1.6
85.02832	8.5
87.00755	2.7
89.02314	12.6
93.03338	1.8
95.01258	2.2
99.00756	1.8
101.02317	15.1
103.67056	1.1
109.02840	3.7
111.00756	1.4
113.02319	9.0
119.03384	5.9
121.02841	100.0
122.03181	4.0
123.00771	1.4
123.04402	2.1
125.02357	1.9
133.04947	2.2
135.00833	1.2
135.04404	31.6
137.02359	2.4
151.06030	5.9
151.11197	2.0
152.01041	1.4
153.01855	2.1
159.02876	1.4
161.04478	4.0
163.03889	3.9
165.05463	3.6
167.03432	3.2
175.06065	1.2
176.05962	1.1
177.04044	1.4
177.05484	5.4
195.04973	2.1
195.06554	11.9
209.04462	1.1
209.78294	1.0
211.06012	1.4
220.27022	1.1
225.09813	1.2
228.01138	3.1
237.11282	1.7
246.55562	1.0
256.09708	1.7
257.13815	1.8
271.03033	4.3
286.05441	10.0
295.10181	5.7
330.04388	2.9
417.13669	4.7
417.18127	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	417.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63210	0.7
55.01772	1.8
57.03319	2.0
57.90090	0.7
58.00464	1.3
59.01250	100.0
60.01589	0.8
60.25488	0.7
69.03320	1.0
71.01253	34.0
72.99186	2.6
73.02827	4.5
75.00739	1.4
83.01275	3.1
85.02821	9.1
87.00764	2.0
88.70924	0.7
89.02314	29.1
95.01279	3.3
97.02833	0.9
99.00768	2.9
101.02318	17.4
103.03915	1.0
111.00748	0.9
113.02325	14.8
119.03378	13.5
119.04143	1.1
123.00822	0.7
125.02364	2.9
131.03432	1.8
137.02371	1.8
139.00336	1.2
143.03366	3.5
149.04433	1.0
159.02911	1.9
161.04468	26.8
162.04860	0.9
165.35324	0.8
177.03925	1.1
177.09119	4.7
179.05539	6.7
181.05031	1.2
195.05083	0.8
195.10271	2.0
200.70438	0.8
205.03470	1.2
220.80826	0.7
239.05806	0.7
357.15530	26.2
358.15927	2.2
402.59589	0.8
417.12329	0.7
417.17673	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	417.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05975	0.3
55.01755	0.3
57.03336	0.2
58.00461	0.3
59.01250	11.0
60.57580	0.2
61.98705	0.4
62.08212	0.2
64.09831	0.2
69.83145	1.1
71.01253	8.6
72.99156	0.5
73.02817	1.8
75.00746	0.7
83.01269	0.5
85.02827	3.5
85.11182	0.2
87.00748	0.9
89.02316	3.2
91.01788	0.3
95.01263	0.3
97.02827	0.5
99.00760	1.0
101.01637	0.3
101.02314	5.2
103.03889	0.4
108.02024	0.3
109.02823	1.1
113.02322	2.8
115.03876	0.3
116.11148	0.2
117.01848	0.2
119.03349	1.2
120.59360	0.2
121.02837	100.0
122.03161	3.4
125.02339	0.8
133.04932	2.8
135.00781	1.7
135.04408	33.2
136.04768	1.3
137.02263	0.3
139.07538	1.6
143.03386	0.7
147.02892	0.3
147.04341	0.3
151.03932	0.2
151.06035	5.8
152.01036	0.3
153.01823	2.9
153.05534	0.3
157.08612	0.4
158.89780	0.2
159.02921	0.5
161.04459	4.2
163.03915	3.9
167.03470	0.3
169.04971	0.3
175.06027	2.0
181.04967	0.3
193.04984	0.6
194.15451	0.4
195.10034	0.3
205.07059	0.4
211.06059	0.3
217.05191	0.3
217.07114	0.4
223.06125	0.9
240.16037	0.8
269.19559	0.3
283.08215	0.4
295.10312	6.7
296.10776	0.4
357.15497	1.1
417.13785	4.0
418.14542	0.4
418.20853	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	417.1189
Annotation	5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone
Peak:m/z	Relative Intensity
57.03310	1.0
58.00475	0.6
59.01249	21.1
65.00190	0.6
66.62611	0.4
66.64092	0.4
71.01252	11.6
72.99181	0.9
73.02816	2.6
74.31541	0.5
75.00755	0.6
83.01246	1.6
83.04393	0.4
83.04877	0.5
85.02826	4.2
87.00758	0.9
89.00204	0.8
89.02315	6.1
91.01765	2.5
93.03323	1.0
95.01269	1.1
96.99184	6.2
99.00767	1.4
101.02316	7.5
106.00498	1.1
108.02059	1.2
109.02837	1.7
111.00760	1.0
113.02328	5.4
113.12209	0.5
117.03340	1.3
117.60559	0.6
119.03392	3.2
119.04893	0.9
121.02841	12.1
123.00756	1.1
123.04395	4.0
124.01569	0.8
125.02332	0.8
132.02049	0.7
134.03635	17.3
135.04373	1.0
137.02324	1.5
138.03145	0.8
139.03925	1.1
143.03418	0.7
145.02849	3.6
146.03642	5.4
147.04472	2.5
148.01563	0.8
148.05211	0.7
149.02341	10.5
149.05949	1.7
150.02766	0.7
151.03926	1.0
153.01904	0.6
153.05501	4.9
158.03629	4.4
159.03117	0.9
159.04408	7.8
160.01569	1.7
161.02364	5.1
161.04469	3.4
161.05959	1.8
162.03119	4.5
163.00308	0.5
163.03917	4.7
164.04695	6.1
173.02357	1.5
173.05995	3.9
173.99971	0.5
174.03140	3.4
175.03902	2.4
176.04697	3.6
177.05385	0.7
178.02621	2.3
178.13106	0.5
179.03337	0.9
179.05443	0.5
179.07005	0.8
181.04994	1.9
183.06703	0.5
187.03908	0.5
188.04707	2.7
189.05508	7.4
191.03304	0.7
191.06989	1.0
193.01320	0.6
193.04988	5.9
195.10214	0.6
203.07094	1.8
205.05078	0.7
208.03685	1.6
213.14877	0.9
223.06026	3.5
225.05392	0.5
236.04825	0.5
240.08084	0.5
246.93401	0.5
254.05829	0.9
265.05115	1.6
266.05795	0.6
268.07330	0.5
271.06091	1.6
281.04651	3.3
282.05261	4.4
283.06064	1.6
284.06818	1.3
286.08530	0.9
292.03683	0.6
293.04581	1.3
295.09705	0.6
296.06842	4.3
297.07654	5.5
297.12436	1.5
298.08408	1.8
299.09216	2.9
301.10818	1.3
307.06229	0.5
309.04025	0.9
310.04813	3.3
310.08261	0.8
311.05719	0.9
311.09186	8.9
312.10046	3.3
313.10745	1.7
314.11627	2.0
325.07172	12.8
326.07657	0.8
339.08624	1.4
340.09482	7.2
341.10016	0.7
343.21234	0.6
355.11844	8.1
356.12323	0.8
357.19284	3.5
369.06116	1.1
373.13211	1.1
375.20218	1.5
384.08273	1.1
399.10815	4.0
417.11899	100.0
417.25403	3.5
418.12195	10.1
418.17575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17727	0.5
59.01239	2.2
60.64665	0.4
61.54683	0.4
65.00192	0.9
69.13452	0.4
71.01245	0.5
71.52677	0.8
80.91544	0.9
89.05074	0.4
101.02341	0.6
107.04949	0.6
117.03338	9.8
127.38688	0.5
131.04898	1.2
145.06438	0.5
149.05956	1.4
173.05986	3.6
175.03979	0.7
185.02362	0.6
187.07631	0.7
197.06013	0.9
199.03941	0.5
215.07094	3.7
217.05031	2.9
291.10223	0.7
305.04523	2.6
317.08163	1.3
319.06100	4.7
320.06744	4.1
321.07056	0.6
335.09232	100.0
336.09576	10.2
371.67331	0.5
375.07098	0.7
417.08420	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.4
59.01248	54.1
61.98695	2.2
64.49258	1.7
66.32583	1.5
66.61115	1.4
67.01772	1.6
69.03323	14.3
71.01248	24.5
71.52008	1.6
71.52501	2.1
72.99180	2.0
73.02805	6.9
75.00748	2.6
80.10841	1.7
83.01246	6.8
85.02818	16.8
87.00763	3.6
89.02307	15.8
93.03323	6.8
95.01258	18.3
97.02821	14.8
99.00721	3.0
101.02312	13.3
103.03885	30.7
107.01256	20.1
108.02058	2.2
109.02809	2.0
111.00768	3.0
113.02336	9.9
114.31931	1.5
114.66103	1.7
119.03386	3.7
121.02813	5.4
122.81149	1.5
123.00772	13.2
123.04393	2.0
124.01562	2.8
125.02325	27.4
134.03630	2.8
136.01559	2.4
137.02356	17.9
139.00168	2.6
149.02328	4.2
151.00267	100.0
152.00644	2.5
153.01843	2.1
161.04443	4.4
166.02591	6.7
168.00507	2.6
169.01318	30.6
176.12601	1.6
177.01787	1.5
179.03404	3.5
180.03656	1.8
181.04971	11.5
193.04964	2.5
211.02449	10.6
223.06056	2.4
239.05701	1.9
247.08302	2.4
259.64041	1.7
265.09290	31.8
271.04605	15.3
291.73706	1.9
300.89359	1.7
306.56726	1.9
355.10541	2.2
357.15216	2.0
402.13248	2.9
417.10089	30.0
417.17969	7.7
418.10699	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	3.5
57.03318	15.2
58.79169	0.9
59.01247	38.1
61.01698	1.2
65.64058	0.8
69.37578	8.2
71.01250	14.3
72.83315	0.9
72.99181	5.9
73.02814	3.0
75.00757	2.0
83.01243	6.5
84.02050	1.3
85.02818	100.0
86.03149	1.9
86.53234	0.9
87.00740	2.6
88.62045	1.0
89.02309	4.1
97.11678	0.8
101.02326	7.3
102.98418	1.0
105.22598	1.0
105.35565	0.9
108.02023	1.1
111.00760	14.5
112.01015	1.0
113.02321	3.5
115.00249	3.4
121.02834	57.7
122.03143	1.3
125.02351	1.0
128.03436	1.0
129.01830	28.8
130.02179	1.1
131.04915	3.1
133.01303	4.9
133.06461	6.6
135.04410	3.8
137.02414	1.6
149.02248	1.1
149.05887	0.9
151.00253	3.0
159.04407	1.9
161.04463	3.0
161.06003	5.8
166.02620	3.1
173.00815	6.0
181.05060	5.2
181.06441	1.0
189.05464	10.4
192.04254	1.4
197.09613	1.1
207.06503	1.4
240.02824	1.2
251.05568	15.0
257.11917	1.1
287.17017	0.9
295.04474	2.4
301.10687	1.6
417.15564	1.3
417.25198	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	3.4
57.03320	12.7
59.01246	12.3
68.99655	0.9
70.34435	1.2
70.34797	1.3
71.01247	12.0
72.99171	4.7
73.02829	3.6
75.00735	1.7
83.01263	6.0
84.02025	2.0
85.02818	100.0
86.03180	1.4
87.00752	3.8
89.02307	4.5
93.03331	0.6
96.89841	0.6
98.20420	1.0
101.02304	6.0
101.06593	0.5
107.04945	0.6
108.02074	0.7
111.00755	14.1
113.02362	3.1
114.25328	0.6
119.03381	1.7
119.04877	1.0
121.02837	51.3
122.03158	1.9
129.01823	26.0
130.02173	0.7
133.02837	0.6
133.06480	5.5
134.41431	0.6
135.04408	2.8
142.11823	0.6
143.03394	0.8
151.00243	1.1
154.99446	0.6
159.02921	0.6
159.04393	1.3
161.04460	3.0
161.05971	6.2
166.02580	3.3
173.00818	7.5
177.01761	0.8
181.05020	5.7
187.78709	0.8
189.05464	10.4
190.06009	0.8
233.02026	0.6
233.04462	1.4
241.14360	0.8
251.05554	12.2
252.06056	0.8
295.04578	3.0
301.11533	0.6
354.72775	0.9
375.19705	0.8
417.15768	1.1
417.20361	1.3
417.24945	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	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59009	0.2
57.03326	0.3
59.01248	100.0
60.01588	1.0
69.31423	2.0
71.01247	4.3
71.01626	0.4
73.02808	2.1
82.67625	0.2
83.01274	0.8
85.02814	1.9
87.00759	0.3
89.02312	1.9
95.01302	0.3
98.20650	0.2
99.00797	0.3
101.02312	2.6
113.02338	1.3
119.03400	0.5
135.04410	0.2
143.03432	0.3
161.04439	1.3
193.12253	0.3
285.15314	0.2
355.21420	0.4
373.22592	1.0
415.19336	0.3
415.24191	0.3
432.82336	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.1
57.03318	14.2
59.01251	23.9
59.84115	0.6
67.01765	0.5
68.99683	0.8
69.03302	0.6
71.01253	14.2
71.53388	0.6
72.99178	5.0
73.02810	3.0
73.84907	0.5
74.02364	0.6
75.00735	1.8
81.03376	0.5
83.01263	5.6
84.02035	1.5
85.02821	100.0
86.03159	1.9
87.00756	2.5
89.02316	4.4
90.02608	0.5
93.03342	0.6
97.06473	0.9
99.00752	1.5
101.02334	6.7
101.67220	0.6
102.98486	0.6
104.25575	0.5
107.04881	0.9
107.29847	0.5
111.00762	13.9
113.02345	2.8
115.00267	2.1
115.05473	0.6
115.12807	0.5
119.03387	1.3
119.04861	0.6
121.02843	56.5
122.03181	1.3
129.01833	26.6
131.04884	1.3
133.01344	2.5
133.06470	6.2
135.04417	3.3
135.05307	0.6
137.02353	1.0
143.04671	1.6
144.49774	0.6
149.02382	0.8
150.03148	0.6
151.00301	2.1
151.11270	0.5
159.04433	1.6
161.04483	2.4
161.05997	5.2
166.02654	2.0
173.00836	8.6
177.01729	0.6
181.04977	3.0
189.05504	10.9
190.05885	1.0
192.04279	1.1
197.09631	1.2
207.06706	1.1
213.09174	2.0
233.04469	0.8
251.05586	13.7
254.07910	0.8
269.04419	0.8
272.08826	0.6
287.16766	0.7
295.04474	3.0
301.10693	0.9
333.37482	0.5
373.63574	1.0
374.13678	0.8
375.18604	0.7
387.10925	0.6
402.13388	0.8
417.25076	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	415.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89698	0.5
59.01250	2.5
62.96063	0.5
70.86267	1.4
85.02799	1.2
92.04929	2.1
118.02865	10.7
118.03664	0.8
119.03217	0.7
131.03651	1.0
144.04468	1.7
146.02379	100.0
147.03166	51.6
147.04428	0.8
148.03979	5.4
157.05261	1.7
158.05998	2.4
177.90633	0.5
179.02145	11.3
181.17641	0.6
184.07617	1.3
198.09161	11.2
199.09456	0.6
266.15457	0.9
269.00104	0.7
329.51303	0.6
364.15848	1.2
379.18054	1.7
397.19174	4.1
415.20004	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33102	0.7
57.03304	1.8
59.01243	5.5
71.03316	0.9
71.52583	0.9
74.98972	6.3
77.00532	67.2
78.00877	0.6
85.02808	1.5
99.04394	6.1
109.06451	2.5
117.08569	0.6
135.24663	0.7
147.08038	1.8
149.09633	1.8
161.09689	1.1
163.11244	3.3
175.51828	0.7
187.11172	2.2
219.17493	0.9
262.61215	0.8
280.14594	1.1
285.92120	0.7
289.21713	8.4
307.16977	0.9
309.22137	2.0
311.18173	0.6
337.21698	100.0
338.22028	13.4
371.25815	6.8
415.23224	13.2
415.32318	0.7
416.23749	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30495	0.5
56.23463	0.5
59.01245	5.8
70.41486	0.6
79.05395	2.5
85.02828	2.0
89.02335	0.6
92.04949	2.5
118.02872	15.1
131.03664	1.0
132.04440	1.6
136.03923	0.7
144.04431	5.4
146.02379	100.0
147.03174	28.3
148.03604	1.1
149.26083	0.5
150.27309	0.5
155.07318	2.5
157.05219	2.2
170.09688	0.8
179.02145	5.4
180.08138	2.3
182.05934	0.6
183.06825	0.9
184.07602	0.6
188.10820	0.7
189.04355	2.7
191.02097	0.6
196.07623	0.9
198.09171	46.2
199.09691	4.3
200.10757	0.9
208.07620	0.9
210.09155	0.9
212.10764	8.2
213.11008	0.6
240.14963	0.6
264.13947	0.8
266.15500	0.6
268.17084	9.5
269.17365	0.9
272.09546	0.7
283.08862	1.6
291.12915	0.5
299.08301	1.0
313.09763	0.7
327.15024	4.1
328.12097	1.3
341.13000	1.0
342.13794	0.8
346.13522	1.3
379.18387	1.1
397.19052	3.1
415.20123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55687	1.6
59.01252	16.7
61.98684	2.3
66.85180	1.4
70.34308	1.5
70.34654	6.1
71.01241	2.2
78.39056	1.5
79.05399	3.7
85.02838	8.6
92.04933	26.1
101.02351	1.6
109.06432	1.8
116.04943	2.5
118.02850	4.6
120.04416	4.3
121.02757	2.0
123.81808	1.6
130.06490	3.6
131.03642	12.2
132.04462	11.5
144.04437	12.1
146.02365	27.1
147.03084	6.7
148.03949	15.4
151.03940	2.0
157.05196	4.7
158.06026	57.4
159.06334	2.4
162.09091	2.2
170.09692	1.8
172.07600	35.6
179.02068	2.4
180.08136	3.0
182.06018	2.6
194.06026	4.6
195.06798	2.0
196.11211	7.9
198.09187	19.4
208.07602	4.6
210.09149	4.2
214.12283	14.1
222.09171	3.1
224.10765	28.4
225.11169	1.7
231.88792	1.7
238.12325	34.2
239.12636	3.2
246.12875	2.0
250.09581	1.5
252.13899	2.6
264.13910	10.8
271.04364	1.8
278.15402	5.6
311.11935	1.7
321.10385	3.4
324.08780	2.7
336.12668	8.4
339.11392	19.2
340.11548	2.1
354.13715	14.1
355.13797	1.9
363.14676	1.8
364.15536	2.3
367.14392	5.6
379.18167	12.9
380.94363	1.6
381.15866	1.9
397.19193	100.0
398.19455	13.1
415.20007	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1974
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01750	1.1
57.03321	1.1
58.00467	1.7
59.01250	100.0
60.01574	1.5
69.03320	1.3
69.26720	2.9
69.27136	1.3
70.49704	0.3
71.01254	42.1
72.01600	0.5
72.99187	1.9
73.02818	62.1
74.03149	1.2
75.00749	0.4
75.29267	0.4
81.03340	0.7
83.01258	17.4
84.01597	0.4
85.02824	5.5
87.00766	1.9
89.02317	14.4
95.01260	1.7
96.67250	0.5
97.02808	1.2
99.00760	2.1
101.02322	57.9
102.02655	1.4
113.02329	12.1
119.03391	4.1
125.02319	2.4
131.03409	3.2
143.03378	3.6
145.22554	0.4
149.04471	2.1
155.03381	1.6
161.04469	10.4
193.12283	8.4
203.05385	0.7
211.13420	0.9
267.34235	0.4
285.15274	0.9
355.17587	2.2
369.04507	0.4
373.18628	8.0
374.18881	0.9
415.19534	19.3
416.19836	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.6
61.09272	0.3
69.40381	0.3
69.40689	2.9
79.05399	4.2
92.04933	1.5
118.02875	2.1
131.03642	0.6
132.04433	0.6
144.04451	0.8
146.02385	12.4
147.03166	9.5
155.07318	6.5
156.07706	0.4
157.05222	1.0
158.05995	0.8
170.09676	2.2
179.02151	1.4
180.08092	7.3
183.06805	0.7
196.07625	0.7
197.08244	0.4
198.09172	100.0
199.09509	6.9
211.81955	0.4
246.66669	0.4
273.36969	0.4
346.13297	0.4
379.18011	0.5
397.19107	0.8
421.56973	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1973
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
57.03317	0.4
59.01248	100.0
59.67965	0.3
60.01588	1.1
69.18974	0.6
69.19379	2.9
71.01238	1.8
72.73517	0.2
73.02818	0.3
85.02819	1.3
85.15226	0.3
87.00725	0.4
89.02319	0.8
101.02328	0.9
102.98486	0.4
113.02338	0.6
119.03342	0.3
231.56525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06695	0.4
59.01247	100.0
60.01588	0.7
60.03020	0.3
71.01250	2.5
72.99179	0.9
73.02844	0.9
83.01253	0.6
85.02821	1.8
87.00816	0.4
89.02318	1.3
93.03323	0.8
95.01254	0.4
101.02318	1.9
113.02353	1.0
118.61195	0.4
119.03401	0.6
121.02855	0.6
122.81014	0.4
154.77290	0.4
162.03111	0.5
179.49002	0.4
194.61952	0.4
233.02264	0.4
285.15485	1.0
327.32770	0.4
392.35349	0.4
415.15820	0.7
415.23370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.5
57.03312	2.5
58.00459	4.3
59.01245	100.0
64.26173	0.9
69.03317	3.2
70.85675	1.5
70.86015	2.2
71.01247	71.7
72.99171	7.3
73.02822	7.9
75.00759	1.8
76.49654	1.0
77.46827	0.9
81.03329	2.3
83.01254	7.4
85.02820	15.8
86.51340	1.0
87.00745	14.2
89.02310	74.7
91.03888	1.5
95.01260	4.6
97.02822	6.1
98.20284	1.8
99.00758	3.0
101.02316	59.7
103.00293	1.2
111.00741	1.0
113.02326	28.0
114.02579	1.1
115.03818	1.2
119.02644	1.0
119.03373	28.3
121.02804	1.0
125.02319	13.3
131.03394	4.4
131.27112	1.0
141.01796	2.0
143.03398	10.0
146.02374	2.6
147.03145	1.1
149.04454	3.6
151.03859	1.1
155.03296	1.2
161.04460	12.8
179.05525	24.3
198.09056	2.3
221.06599	5.4
235.08174	12.5
245.09653	1.0
253.09245	7.1
263.07700	3.7
287.07700	1.8
305.08694	3.1
315.22253	1.3
415.14520	97.9
416.14822	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	415.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29804	1.6
57.03317	3.5
59.01239	12.9
67.01741	2.1
71.01257	9.6
71.32030	1.6
71.32387	2.8
78.71535	1.1
81.03292	1.2
85.02811	13.5
89.02319	5.2
91.01752	6.0
95.01269	4.0
101.02294	5.0
103.03886	28.6
107.01254	2.7
108.02044	5.6
109.02828	5.3
110.70182	1.2
111.00766	2.1
113.02311	3.1
117.05550	1.3
123.00758	1.8
123.04406	39.3
125.02283	1.8
125.80568	1.2
126.88269	1.4
137.51125	1.2
151.00291	8.7
151.03879	1.6
152.01033	9.8
153.01823	2.6
165.01868	1.9
166.02632	13.2
167.03406	96.9
167.95363	1.3
168.03719	3.9
181.04979	10.1
191.03413	4.6
194.02090	9.8
209.04485	59.4
211.21281	1.2
239.05583	3.9
247.08092	1.7
265.09283	24.6
269.06628	16.3
270.06891	1.4
311.07751	4.5
329.08762	1.8
365.54782	1.4
379.36609	1.3
383.09995	1.8
415.12427	100.0
416.12964	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	415.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69100	1.0
54.60929	1.0
57.03326	1.4
59.01247	100.0
70.38719	2.3
70.39076	1.6
71.00854	1.2
71.01249	22.2
72.99179	1.1
73.02812	4.9
83.01241	2.2
85.02821	12.8
87.00752	1.4
89.02312	6.6
91.01810	1.0
93.03291	1.6
95.01285	3.3
97.91193	0.8
98.19909	1.1
99.04395	1.7
101.02312	6.7
113.02330	16.6
119.03397	1.7
121.02814	2.1
139.50706	1.0
151.03934	13.4
153.09123	1.0
161.04468	2.4
191.01875	1.0
253.06998	2.2
271.19205	1.3
373.18469	1.0
415.23328	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	415.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.5
57.03318	11.1
59.01249	4.8
61.10136	0.5
68.99685	0.7
69.75124	2.5
71.01240	2.8
72.99184	1.1
73.02829	0.5
75.00742	1.5
83.01250	2.5
83.01670	0.4
84.02039	2.4
85.02820	100.0
86.03149	1.5
87.00230	0.4
87.00761	1.4
98.20601	0.5
103.00246	1.4
106.85748	0.5
111.00755	3.3
115.00217	0.8
127.03848	0.4
129.01826	9.4
137.78145	0.4
147.02879	13.1
149.02356	2.0
164.04701	1.9
173.00826	1.8
191.01892	26.6
192.02277	0.5
209.02959	6.7
223.06110	2.3
343.61404	0.5
419.50378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	4.5
58.47618	1.4
59.01249	21.7
67.01736	1.6
69.29003	1.3
71.01257	8.9
71.76554	1.1
78.01864	1.2
79.26878	1.2
81.03333	3.2
83.01257	2.4
85.02813	10.1
89.02313	4.2
91.01751	2.3
93.03349	1.4
95.01235	2.3
98.20552	5.5
99.04369	1.2
101.02327	3.8
102.83879	1.1
103.03880	16.2
104.16267	1.3
107.01257	1.9
108.02030	2.8
109.02826	3.2
111.00754	2.7
113.02307	2.9
119.03390	1.5
121.02828	3.1
123.04408	35.9
124.04613	1.6
125.02325	3.6
135.04384	1.7
137.02275	1.4
151.00249	5.5
151.03897	8.1
152.01059	2.8
153.01834	1.7
166.02644	7.1
167.03404	100.0
168.03793	2.8
181.05043	7.2
191.03432	15.5
192.03749	1.2
193.04987	3.6
194.02132	4.1
198.65892	1.3
209.04504	34.9
211.06087	6.2
229.93860	1.9
235.06099	1.7
239.05611	1.7
265.09262	10.0
269.06689	7.4
311.07648	2.1
349.61121	1.3
371.09753	5.5
415.12408	42.3
416.12906	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48947	0.3
54.89462	0.3
55.01757	2.5
57.03325	12.0
58.00442	0.4
58.22349	0.3
58.58087	0.3
59.01250	6.4
67.01729	0.4
68.60295	0.3
68.99677	1.1
69.66267	0.7
69.66674	1.9
71.01256	4.1
72.99169	1.5
73.02808	0.6
75.00742	2.2
83.01250	2.9
84.02032	3.2
85.02819	100.0
86.03149	2.2
87.00741	0.9
89.02318	0.8
101.02332	1.1
103.00233	1.9
104.70102	0.4
111.00759	4.8
115.00246	1.1
121.02917	0.4
129.01819	8.5
133.01283	0.5
145.01373	0.6
147.02884	12.3
149.02328	3.7
158.45291	0.3
163.02402	0.4
164.04680	1.5
173.00848	2.3
188.84468	0.3
191.01888	29.8
192.02188	0.7
209.02962	10.1
223.06055	2.5
249.29466	0.3
415.08218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37168	1.4
59.01244	4.0
61.52516	1.8
61.98700	100.0
83.31736	1.6
85.85761	1.5
98.19750	3.3
126.54080	1.9
148.43555	1.7
159.65413	1.8
166.45168	1.7
279.23300	5.1
306.56985	1.6
414.30981	9.7
415.32410	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.8
55.50948	0.7
57.03320	13.1
59.01247	9.9
62.85497	0.6
68.99696	1.0
70.49475	0.7
71.01250	10.4
71.03241	0.9
71.03584	1.0
72.99181	3.1
73.02817	0.9
73.48096	0.6
75.00735	4.1
83.01244	3.0
84.02050	2.9
85.02821	100.0
86.03168	1.9
86.37312	0.7
87.00735	1.7
89.02296	3.4
89.89579	0.8
93.03328	1.2
101.02332	2.3
103.00259	1.6
108.02074	0.9
109.02880	1.0
111.00752	4.7
113.02333	1.2
115.00254	1.6
121.02867	2.4
129.01819	7.9
133.01328	3.4
137.02295	3.2
147.02882	8.1
149.02328	4.1
151.03931	0.8
152.01082	0.7
152.04681	1.4
163.00258	0.8
164.04663	2.6
173.00795	2.0
179.03322	1.1
191.01894	31.7
192.02281	1.3
193.04970	1.4
209.02956	47.4
210.03288	1.1
211.06041	1.5
223.06093	1.5
239.05588	0.8
415.12271	1.2
416.19501	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60160	3.0
59.01249	100.0
69.92154	9.4
69.92572	6.6
72.87315	2.8
74.47163	2.7
80.94588	2.8
152.63383	2.9
172.69650	2.8
248.54250	2.8
277.28015	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	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98253	3.4
59.00961	5.9
59.01249	100.0
83.42728	4.0
85.19106	3.9
116.35442	3.5
116.42265	3.3
138.72289	3.9
212.80586	3.3
301.72800	4.0
390.06955	3.9
429.44479	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15815	0.3
55.01760	0.5
55.12529	0.3
57.03320	0.9
58.00467	0.4
59.01250	100.0
60.01590	0.4
71.01253	10.0
71.52554	0.6
72.99203	0.6
73.02810	3.4
80.76751	0.3
83.01250	1.7
85.02825	4.3
87.00753	0.6
89.02313	2.6
93.03352	0.6
95.01270	1.3
99.00775	0.9
101.02320	6.1
103.03889	0.3
108.02048	0.6
111.00805	0.6
113.02337	4.7
119.03429	0.7
119.04945	0.4
121.02801	1.4
135.04440	0.8
136.01561	1.2
137.02351	0.6
137.09579	0.3
143.03391	0.6
147.78683	0.3
152.01134	0.4
153.01845	0.4
159.02934	1.1
161.04474	3.1
163.04050	0.5
163.11142	0.4
203.95216	0.3
209.15413	1.5
212.70558	0.3
255.03011	0.9
293.04468	0.4
353.19504	1.8
371.20746	7.6
371.25122	0.6
372.21210	0.7
413.22098	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76790	0.3
55.01756	0.7
57.03328	1.6
58.00470	0.4
59.01250	100.0
60.01589	1.0
65.00185	0.3
71.01253	15.1
72.62823	0.3
72.99185	0.8
73.02817	7.3
75.00755	0.5
77.96305	0.4
79.84263	0.3
81.03373	0.4
83.01256	2.7
83.04913	0.5
85.02817	5.8
87.00764	1.1
89.02321	3.8
93.03358	1.2
95.01277	2.1
97.02839	0.5
99.00755	1.5
99.04401	0.4
101.02320	9.2
102.98492	0.7
103.03874	0.5
108.02071	1.3
109.02905	0.6
111.00788	1.0
111.08068	0.6
113.02329	5.8
117.03386	0.8
118.87856	0.3
119.03435	1.0
119.04945	1.0
120.04468	0.8
120.43017	0.3
120.94828	0.3
121.02855	1.9
122.37685	0.3
124.01532	0.5
125.02388	0.7
127.05650	0.3
130.68353	0.3
131.03389	0.5
134.03743	0.4
135.04442	0.6
136.01559	3.0
137.02386	1.2
137.09578	0.3
138.24040	0.4
143.03470	0.8
149.06010	1.1
151.00301	0.9
152.00983	0.3
153.01927	0.3
159.04460	1.4
161.04497	2.6
162.05571	0.8
163.03922	0.5
165.12688	0.4
173.04529	0.5
177.05469	0.4
191.07108	0.6
205.03534	0.4
209.11894	0.7
209.15524	1.3
217.39729	0.3
227.03471	0.4
255.02982	1.5
262.99728	0.3
264.35373	0.3
265.09378	0.5
270.11371	2.2
283.02524	1.2
283.13898	0.7
284.03198	1.1
285.04117	1.1
293.04764	0.7
295.10376	0.6
332.07272	0.4
353.19751	1.6
367.28183	0.4
367.76874	0.3
371.20819	5.1
372.21146	0.6
413.09027	0.5
413.14554	1.4
413.21890	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	413.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02841	1.6
59.01247	38.3
65.06757	1.1
71.01258	3.0
71.52117	1.8
74.69630	1.3
85.02808	3.9
89.02319	1.8
91.59308	1.4
93.03342	1.4
101.02297	2.5
104.02549	3.4
108.02067	3.7
109.02862	1.5
113.02273	1.5
121.02844	1.9
134.03604	2.4
148.01535	7.9
152.01012	3.1
162.41092	1.3
163.03935	1.4
165.01767	2.0
165.51033	1.2
168.36685	1.3
173.04485	1.6
176.01053	67.0
177.01382	3.8
191.03416	100.0
192.03783	4.9
193.05045	2.7
206.08141	3.1
220.09782	1.2
245.33450	1.4
326.70209	1.5
413.06955	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	413.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61037	0.4
56.32351	0.5
59.01249	100.0
60.01582	0.8
71.01242	3.7
71.53057	0.8
73.02843	1.2
78.03391	0.5
83.01287	0.9
85.02830	2.0
89.02317	1.4
97.98270	0.5
99.00751	0.7
99.83060	0.5
101.02312	2.7
102.98467	0.8
113.02330	1.0
119.04925	1.0
123.04541	0.5
129.01881	1.2
137.02350	1.0
161.04497	0.6
163.03955	0.7
205.57436	0.5
251.16586	1.1
255.01855	1.4
268.03781	0.6
270.04202	2.5
271.04929	1.0
283.13763	0.6
285.06458	1.4
286.07339	1.4
391.70831	0.5
413.14957	0.6
413.21616	2.7
414.14774	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51651	3.2
56.67277	3.4
59.01255	21.1
60.01594	3.8
61.98703	100.0
63.81852	3.4
71.07845	4.4
71.08170	5.6
90.56656	3.2
145.12395	4.0
254.98973	4.3
277.87683	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	412.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16316	1.7
50.58875	2.0
59.01246	6.1
61.98700	100.0
71.08089	4.0
153.82964	1.8
197.87442	2.0
242.00783	2.2
302.82245	2.3
402.12299	2.4
412.24976	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	412.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89509	2.3
59.01238	5.0
61.98697	100.0
67.01741	2.4
68.78958	2.9
69.42048	4.0
69.42449	14.8
86.90609	2.0
89.02274	2.5
98.20551	4.5
104.91422	2.5
105.50639	2.6
120.59740	2.3
176.17018	2.2
187.03923	2.5
233.46240	2.3
233.92322	2.3
259.18451	2.4
277.10779	5.2
277.21667	20.7
413.23575	4.0
422.16666	2.2
422.82962	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	411.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23809	4.5
55.83022	3.5
59.01250	100.0
60.31383	3.7
69.25806	13.6
69.26228	21.3
82.37109	4.2
125.08340	4.5
129.07123	3.8
156.68318	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38774	2.6
59.01249	100.0
69.87788	6.1
69.88200	10.6
71.96911	3.1
75.66356	2.9
79.38098	3.1
97.27299	2.8
98.38958	2.9
99.83547	2.9
102.57227	2.8
103.89683	2.9
108.30041	2.9
199.25909	3.2
206.16733	3.3
214.18842	3.8
327.67038	3.3
374.74292	3.0
431.58429	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	412.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70701	1.8
59.01234	5.8
61.98702	100.0
66.32464	2.0
71.52552	3.9
99.92497	3.7
107.15630	2.4
118.89874	4.1
150.55598	2.2
163.88258	2.1
250.00157	2.8
267.39490	2.1
319.40363	2.3
393.79361	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52800	0.3
51.11336	0.3
53.68842	0.3
55.01740	0.3
57.03323	25.1
59.01249	63.2
60.01585	0.8
69.03323	1.9
71.01254	6.6
71.01622	0.6
71.04889	0.6
73.02813	1.6
83.01244	0.8
85.02807	1.7
87.00770	0.4
89.02306	0.5
93.03318	0.4
95.04883	0.6
97.02840	1.1
98.20547	1.1
99.00765	0.8
101.02316	2.2
103.03913	0.4
107.04916	0.6
108.02084	0.8
109.02852	0.5
109.06471	3.9
111.00768	0.4
113.02320	1.1
119.04887	1.3
121.06473	1.0
123.04414	0.6
123.08031	0.7
129.54630	0.3
131.58246	0.4
133.06502	0.4
137.02309	0.4
137.09624	5.8
139.07541	1.6
143.03407	0.4
149.09625	1.6
151.07535	0.4
152.01012	0.8
156.30362	0.3
161.04497	1.1
161.51752	0.3
163.03874	0.6
165.12767	0.9
181.72878	0.3
189.12822	0.9
192.11472	13.2
193.11826	0.6
203.05545	0.9
207.13835	100.0
208.14156	6.8
211.13307	0.7
225.83554	0.4
251.09744	0.3
268.03650	0.6
269.04657	0.5
281.72922	0.4
411.12134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64879	2.7
59.01249	25.6
61.98698	100.0
92.30354	2.9
103.14091	2.6
168.21863	2.4
177.70941	3.1
239.60239	3.4
275.56580	3.0
300.07877	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	410.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	69.7
60.01571	11.2
61.98702	100.0
71.53167	4.8
71.92961	4.0
94.32229	3.9
99.92507	3.9
108.52455	4.0
111.20408	4.1
120.33678	3.6
156.77061	4.3
178.98587	3.7
251.20976	4.2
332.22830	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	411.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29216	0.5
57.03339	2.2
58.00475	0.7
59.01249	20.6
69.45760	4.0
71.01248	11.2
71.01608	0.8
72.99203	1.1
85.02818	16.1
87.00779	1.3
89.02312	10.5
93.03327	5.1
98.20532	0.7
101.02313	7.9
103.03889	29.6
104.04211	0.7
113.02354	4.6
117.03349	8.3
119.03471	5.1
119.04912	23.5
120.05255	0.7
121.02879	1.6
130.08643	0.6
132.05711	0.5
133.06471	4.3
143.03423	0.9
145.02852	48.0
146.03220	1.7
146.48116	0.5
161.04674	0.3
161.05998	12.4
163.03915	27.9
164.04308	1.2
177.05505	4.9
179.05513	0.8
189.09213	0.6
205.04990	10.7
205.12311	1.2
206.05307	0.5
206.11787	6.6
207.06593	1.0
217.80478	0.6
235.06049	2.7
247.08098	0.8
249.11385	2.1
250.10773	6.5
265.09296	100.0
266.07278	0.7
266.09680	5.3
307.08264	1.4
393.12021	1.2
411.12918	45.5
412.12735	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	411.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.6
58.00481	1.1
59.01248	21.1
60.33749	0.4
69.23902	3.9
71.01250	12.2
71.70341	0.5
72.99171	0.9
73.02821	1.4
83.01273	1.0
85.02819	17.0
87.00781	1.1
89.02314	13.6
93.03340	1.6
95.01259	0.9
97.02869	0.4
98.20557	1.0
99.04422	0.5
101.02322	9.1
101.05946	0.5
103.03889	32.5
106.04214	0.5
111.00789	1.0
111.39687	0.4
113.02325	4.8
114.41100	0.3
117.03347	9.8
117.05466	0.5
119.03464	5.8
119.04909	24.8
120.05254	1.0
121.02847	1.4
125.02390	0.4
131.03409	0.6
131.04910	0.5
132.05711	0.9
133.06483	4.8
134.06866	0.5
135.04373	0.6
143.03410	1.3
145.02856	51.6
146.03249	2.2
147.04446	1.3
149.02359	1.0
161.04655	0.5
161.05981	12.0
163.03925	25.3
164.04398	1.1
177.05498	4.8
179.05562	0.7
179.07050	0.4
186.13759	0.3
187.03906	0.6
205.05006	9.9
223.06090	1.0
235.06070	2.7
243.06898	0.5
247.08321	0.8
265.09296	100.0
266.07263	0.4
266.09641	5.2
307.08148	1.3
315.41122	0.4
325.09161	0.8
332.57486	0.4
367.17563	0.4
373.04910	0.4
393.11810	1.6
411.12836	53.6
412.13162	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	409.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00718	0.8
59.01249	100.0
60.01574	1.3
78.95772	2.3
90.34125	0.8
97.02823	1.2
98.20580	2.3
102.84492	0.8
113.30481	0.8
135.89020	1.0
152.99492	2.1
174.13406	0.8
229.61160	0.9
241.21487	2.0
311.48935	0.9
331.22662	3.0
362.45419	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45953	1.0
50.66954	0.8
55.72566	1.0
58.71145	0.8
59.01247	100.0
60.01551	0.9
69.03270	1.0
69.86064	5.1
71.01263	1.4
97.02811	2.0
98.41100	0.8
116.35871	0.9
123.78611	0.8
149.13269	1.0
152.99519	3.7
245.15448	8.4
249.72894	1.0
259.17087	2.0
269.22626	1.2
313.21695	7.4
331.22729	12.9
332.22995	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01596	1.0
65.26369	0.9
65.89516	0.9
66.52820	0.8
67.88866	0.9
68.19566	0.8
71.08435	2.3
72.28658	0.9
78.95773	2.5
78.99828	0.8
83.59293	0.8
93.79354	1.0
97.02840	1.4
117.84402	0.8
120.52729	0.8
120.53660	0.9
124.52915	0.8
152.99469	1.3
241.21715	2.3
313.21729	1.3
331.22849	2.2
349.18884	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.7
59.01249	100.0
71.10285	2.9
97.02831	6.6
113.09621	1.7
115.94862	1.3
200.22964	1.1
211.29219	1.2
304.28217	1.2
305.45905	1.3
313.21677	4.0
331.22800	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.7
57.30907	0.5
59.01249	100.0
60.01580	1.2
61.98701	0.6
70.81732	1.7
71.01265	1.4
73.02837	0.8
78.95780	1.0
80.31089	0.5
97.02843	1.8
106.90676	0.5
119.57786	0.5
139.05768	0.5
152.99539	1.3
167.92621	0.6
175.07617	0.6
224.93867	0.5
263.80783	0.5
313.22058	0.7
331.22787	15.4
332.23270	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	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09377	0.5
59.01247	100.0
60.01581	0.8
61.61547	0.5
61.74570	0.5
69.56081	3.4
71.01256	1.7
71.69358	0.6
73.02816	0.7
85.02832	0.5
89.02338	0.8
89.19529	0.4
90.38607	0.4
101.02334	1.3
102.89935	0.5
108.02072	1.4
111.00713	0.5
113.02314	0.7
138.91296	0.4
142.08633	0.9
152.00992	0.6
161.04543	0.7
186.07655	1.1
187.80141	0.4
195.13817	0.5
205.08716	0.7
206.04532	0.6
230.08220	1.1
241.14503	1.9
247.09525	0.5
307.17572	1.1
326.99533	0.5
344.38812	0.4
349.18652	0.6
358.40167	0.5
391.64444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09377	0.5
59.01247	100.0
60.01581	0.8
61.61547	0.5
61.74570	0.5
69.56081	3.4
71.01256	1.7
71.69358	0.6
73.02816	0.7
85.02832	0.5
89.02338	0.8
89.19529	0.4
90.38607	0.4
101.02334	1.3
102.89935	0.5
108.02072	1.4
111.00713	0.5
113.02314	0.7
138.91296	0.4
142.08633	0.9
152.00992	0.6
161.04543	0.7
186.07655	1.1
187.80141	0.4
195.13817	0.5
205.08716	0.7
206.04532	0.6
230.08220	1.1
241.14503	1.9
247.09525	0.5
307.17572	1.1
326.99533	0.5
344.38812	0.4
349.18652	0.6
358.40167	0.5
391.64444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.7
57.21129	0.5
59.01247	100.0
59.05257	0.5
59.07661	0.5
60.01592	1.4
71.01255	4.0
73.02814	1.7
75.00758	0.8
83.01247	1.1
85.02837	1.3
85.17011	0.5
89.02325	1.1
95.01237	0.4
99.00737	0.5
99.24576	0.5
101.02343	2.2
108.02101	0.5
108.55727	0.5
109.02853	0.7
111.00789	1.1
113.02334	1.5
119.03442	0.7
120.99583	0.5
121.02843	1.1
121.58042	0.5
129.23392	0.5
139.00291	0.9
152.01082	0.8
157.39507	0.5
161.04472	0.8
171.07895	0.5
204.07898	1.0
205.05142	0.6
205.08623	0.7
205.12332	1.4
229.08755	1.1
230.08240	0.5
247.09857	1.0
307.17810	2.0
349.18622	0.8
384.48553	0.5
409.11340	1.0
409.18784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.4
57.03312	1.8
59.01249	93.1
66.29973	1.4
69.95952	1.5
70.54042	2.0
71.01249	62.7
72.99175	3.9
73.02814	72.7
74.43282	1.6
81.03338	1.8
83.01250	17.4
83.30425	1.4
85.02819	13.3
87.00723	2.3
89.02298	8.9
93.88074	1.5
95.01257	3.6
97.02819	2.3
98.95467	1.7
99.00824	1.7
99.62866	1.6
101.02319	46.5
106.04092	7.2
113.02313	23.2
119.04894	2.0
121.02840	5.4
125.02312	2.9
131.03394	2.5
134.03575	2.4
137.02301	2.1
138.03108	1.7
143.03375	2.7
161.04468	5.6
161.09639	24.7
163.07544	2.3
187.11182	11.7
189.09152	3.6
198.95042	1.7
203.10565	2.4
205.08635	68.1
205.12289	2.5
206.09019	2.5
217.08578	7.0
219.10136	5.0
229.27234	2.5
247.09727	19.6
259.09738	3.0
277.10715	1.7
289.10730	3.4
349.12823	19.6
349.16632	4.2
350.13129	1.8
352.39139	1.5
367.17694	2.8
394.84854	1.6
409.14954	100.0
410.15152	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	409.15
Annotation	8beta-Propionyloxy-10beta-hydroxyhirsutinolide-13-O-acetate
Peak:m/z	Relative Intensity
55.01746	2.4
57.03312	1.8
59.01249	93.1
66.29973	1.4
69.95952	1.5
70.54042	2.0
71.01249	62.7
72.99175	3.9
73.02814	72.7
74.43282	1.6
81.03338	1.8
83.01250	17.4
83.30425	1.4
85.02819	13.3
87.00723	2.3
89.02298	8.9
93.88074	1.5
95.01257	3.6
97.02819	2.3
98.95467	1.7
99.00824	1.7
99.62866	1.6
101.02319	46.5
106.04092	7.2
113.02313	23.2
119.04894	2.0
121.02840	5.4
125.02312	2.9
131.03394	2.5
134.03575	2.4
137.02301	2.1
138.03108	1.7
143.03375	2.7
161.04468	5.6
161.09639	24.7
163.07544	2.3
187.11182	11.7
189.09152	3.6
198.95042	1.7
203.10565	2.4
205.08635	68.1
205.12289	2.5
206.09019	2.5
217.08578	7.0
219.10136	5.0
229.27234	2.5
247.09727	19.6
259.09738	3.0
277.10715	1.7
289.10730	3.4
349.12823	19.6
349.16632	4.2
350.13129	1.8
352.39139	1.5
367.17694	2.8
394.84854	1.6
409.14954	100.0
410.15152	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	409.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05573	3.6
55.01737	5.4
59.01249	47.9
68.99683	7.9
69.03314	5.2
70.64930	10.3
71.01248	69.6
72.99175	32.8
73.02820	16.5
75.00739	35.5
78.95750	5.0
80.91550	4.8
83.01241	10.5
85.02818	20.1
87.00745	100.0
89.02309	46.5
91.69348	3.2
95.01255	10.7
96.95892	6.5
97.02818	5.4
99.00744	28.4
101.02316	43.9
103.00240	6.4
111.00748	9.5
112.05828	2.9
112.98707	5.8
113.02322	31.6
115.00249	9.6
115.01894	3.5
117.01836	18.6
119.03386	15.2
123.00748	12.1
123.88210	3.2
127.00276	7.7
129.01799	13.4
131.03360	4.0
141.01828	42.8
143.03308	3.0
145.01326	8.3
157.01343	5.8
159.02866	19.3
161.04451	6.6
175.02400	6.2
177.03938	12.4
179.05530	25.8
191.05540	9.4
205.05229	3.1
213.01550	4.0
241.17525	3.2
262.06119	3.6
270.25449	3.1
284.40915	3.3
321.08231	35.7
339.09314	27.2
371.11829	10.7
375.07141	15.6
376.07980	3.4
409.07660	21.6
410.09720	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54156	0.8
57.03049	1.7
57.03320	28.6
58.00466	1.4
59.01248	76.5
65.12916	0.9
65.50417	0.8
69.03326	2.0
71.01249	35.6
71.43984	0.7
72.99174	2.1
73.02816	35.4
75.00745	1.6
83.01257	15.3
85.02820	76.4
86.03156	1.3
87.00749	17.1
89.02307	13.7
95.01263	1.2
97.02806	1.0
98.19784	1.8
99.04404	2.2
101.02315	34.7
101.05937	1.3
103.03886	72.7
111.00748	10.6
113.02324	13.8
117.05467	1.9
119.03367	6.6
125.02335	1.3
129.01825	5.0
129.08099	0.9
131.03412	1.8
137.23921	0.9
142.94543	0.8
143.03392	6.5
145.04977	1.8
149.04436	1.7
157.05016	2.4
161.04440	8.7
179.05565	1.8
183.72163	1.0
185.92076	0.8
195.55658	0.8
247.08188	13.7
265.09256	37.1
295.10315	2.5
300.82971	0.9
305.15997	1.3
307.10327	100.0
308.10696	7.0
391.12424	1.7
409.13495	47.7
410.13754	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	408.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59576	3.8
59.01247	25.2
59.23343	4.7
61.26844	4.0
62.18024	4.2
67.01757	3.8
69.39813	28.1
71.01254	11.9
72.99187	24.3
73.02827	5.0
83.01249	4.8
85.02811	6.7
98.02355	25.2
98.36395	3.7
104.36035	4.4
107.04915	8.3
111.00764	51.9
121.02842	48.3
127.81458	3.9
131.04930	9.8
134.03589	6.3
134.06024	20.4
135.04414	77.1
143.03304	6.6
147.04434	11.7
149.05971	19.7
152.84688	4.3
154.99748	9.6
158.06023	63.0
173.00822	12.3
175.03944	5.4
176.07086	66.7
178.04927	6.6
179.03371	9.8
202.05037	41.1
203.05257	5.8
205.03455	25.9
220.06110	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	12.4
59.95910	1.8
65.00211	3.7
67.01776	2.7
69.24150	20.4
71.01255	6.7
72.99173	22.8
73.02809	5.7
73.40337	1.7
76.41219	1.7
83.01252	5.4
92.04913	2.7
93.03341	2.7
97.02821	6.5
98.02360	16.9
99.04385	3.2
107.04915	10.5
109.02839	4.1
111.00757	19.3
117.03297	2.4
121.02844	52.9
122.03172	2.8
130.06479	7.4
131.03674	3.2
131.04893	3.6
132.04424	14.8
134.03622	5.6
134.06024	8.0
135.04402	47.0
136.04729	2.5
143.03413	6.2
147.04416	17.8
149.05968	5.9
150.05453	1.9
154.99722	2.6
158.04733	3.5
158.06015	52.9
159.06331	2.1
169.01349	14.1
173.00818	3.8
175.03961	2.9
176.03511	1.9
176.07062	18.4
179.03362	7.0
187.02310	2.3
193.05020	2.3
202.04987	12.3
205.03453	6.9
220.06090	100.0
221.06480	4.3
266.06979	2.0
399.95676	2.0
408.12076	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	407.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57695	0.8
59.01250	100.0
60.01581	1.6
62.51217	0.8
69.03328	2.1
69.78882	3.0
69.79288	1.6
71.01245	3.4
96.34734	0.9
97.02246	1.5
97.02825	15.0
105.07780	0.9
119.04903	10.2
138.20169	0.8
195.13744	1.0
214.57533	0.9
239.20042	2.8
243.13937	1.0
287.12753	2.9
329.21320	4.0
407.18579	13.2
408.18820	1.4
415.92389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25790	0.5
59.01248	100.0
60.01582	1.0
71.01253	0.9
71.52747	1.0
78.47761	0.7
78.95788	1.0
90.70779	0.8
94.65073	0.6
96.95876	0.8
97.85497	0.7
121.59840	0.6
138.58438	0.6
152.99492	0.8
154.17409	0.7
155.31720	0.6
163.96619	0.6
239.20061	4.1
277.67981	0.7
329.21274	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	407.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	3.1
57.96857	0.9
59.01245	20.2
61.98678	1.0
63.25129	0.8
67.05402	0.8
69.03326	1.8
71.04880	2.1
71.52703	0.8
83.04890	6.9
96.95853	1.4
97.06470	4.8
121.06480	22.2
139.07541	73.1
140.07869	2.7
161.74890	1.0
163.11183	10.1
171.10223	1.1
175.70554	0.8
175.84180	0.9
179.14319	3.7
183.06541	100.0
184.06844	3.5
195.13821	5.5
223.13330	32.9
224.13596	1.7
234.38324	0.8
241.14404	22.8
242.14871	1.3
245.08130	3.5
256.74106	1.0
363.21753	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	407.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47326	0.6
59.01249	100.0
60.01570	1.1
65.92702	0.7
70.39828	1.7
70.40231	1.8
71.01253	1.2
83.01226	1.0
86.83640	0.7
89.10342	0.6
90.99329	0.7
97.02826	4.0
105.53796	0.7
106.64706	0.7
107.01299	0.9
119.04935	3.2
121.10099	0.9
125.02364	1.3
126.80116	0.7
142.05365	0.7
151.00255	5.8
167.03462	0.9
171.10287	1.6
179.03514	2.2
245.08200	1.3
259.13300	0.8
271.06174	3.1
311.20471	0.9
329.21228	16.6
330.21765	1.8
407.18475	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	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.3
59.01248	100.0
60.01582	1.4
62.58850	0.3
70.68805	0.9
71.01252	3.3
73.02817	1.4
74.65841	0.3
83.01283	0.5
85.02801	0.7
87.00745	0.8
89.02343	1.3
96.65370	0.3
99.00800	0.3
101.02321	2.4
113.02354	1.3
119.03368	0.5
143.03407	0.4
159.10193	0.8
161.04480	0.8
259.07297	0.5
287.10385	1.0
303.92462	0.3
313.08374	1.1
331.09439	0.7
347.17148	1.4
359.17059	0.4
365.18253	1.4
407.11105	0.7
407.18961	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	407.186
Annotation	(2R,3S)-3,5,7-Trihydroxy-6-geranylflavanone
Peak:m/z	Relative Intensity
59.01252	29.0
63.02247	1.6
65.00171	3.2
68.99677	1.8
71.01244	1.0
71.32455	1.6
78.95769	1.3
81.00453	0.8
93.03303	5.1
95.01250	1.0
96.95880	1.0
97.02802	2.4
107.04895	1.1
109.06496	1.3
112.85237	0.8
119.04914	77.6
120.05203	2.0
131.08528	1.6
133.06470	10.1
135.08055	1.1
145.02849	3.6
152.99516	1.0
171.00691	0.8
171.10059	0.9
175.00221	1.0
175.03946	1.3
176.00999	1.8
185.06030	1.5
187.03873	2.4
189.01804	2.5
189.05453	1.0
199.14828	1.1
201.01767	1.3
201.05550	2.1
215.03439	0.8
216.07825	0.9
217.12222	0.9
217.65239	0.9
218.05840	1.1
219.13794	4.2
222.71283	0.9
229.05109	1.4
231.06664	1.1
239.20239	4.5
243.13892	5.2
244.07332	1.6
245.08061	1.7
248.36717	0.9
259.13342	1.5
287.12875	31.7
288.13223	2.8
301.14563	2.8
313.14523	2.2
329.21213	1.1
365.17459	1.0
407.18604	100.0
408.18945	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	407.1711
Annotation	Lobatin D
Peak:m/z	Relative Intensity
57.24396	2.3
59.01246	100.0
61.53483	2.5
77.55607	2.1
79.17757	2.2
79.95615	2.9
85.82993	2.1
91.11082	2.1
96.95869	5.0
154.04753	2.1
171.13676	2.5
203.10699	2.8
229.13988	3.5
311.97968	2.2
407.17352	8.5
432.34885	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1854
Annotation	Paratocarpin J
Peak:m/z	Relative Intensity
59.01249	14.1
63.02258	2.8
65.00190	8.7
68.99701	0.6
71.00946	1.0
79.37330	0.6
80.34276	0.6
106.04160	1.4
109.06465	3.8
127.24821	0.5
129.06963	0.7
131.08530	2.9
132.05698	22.7
133.02744	0.7
133.06496	20.9
134.06842	0.7
136.01579	0.9
137.02237	0.7
145.58292	0.7
147.08098	1.1
149.05960	1.4
151.07556	8.2
161.09633	3.8
164.01018	0.8
164.04681	14.5
165.05009	0.8
173.06009	0.7
175.07536	9.6
176.01076	7.3
177.01723	1.1
187.11200	63.5
188.11546	3.5
190.02617	0.8
191.07027	2.5
193.08620	1.4
213.09094	1.2
219.06564	46.8
220.06964	3.4
233.08104	1.7
237.07710	2.9
245.08089	4.6
319.93661	0.7
333.24271	0.7
369.82953	0.7
407.18600	100.0
408.14667	0.8
408.19095	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	407.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18596	1.1
57.03315	1.3
59.01249	58.3
59.55558	1.1
65.99727	1.3
69.81739	7.2
71.01264	5.8
72.99162	1.6
73.02807	5.1
82.02855	10.3
83.01247	1.6
85.02828	2.4
87.00764	2.3
89.02305	4.7
101.02307	7.2
106.02928	1.1
110.75332	1.2
113.02335	3.2
146.16087	1.2
154.29073	1.1
160.07573	2.1
161.04561	1.9
162.04297	2.0
162.05540	2.1
164.03426	6.8
174.05582	2.8
185.11674	1.8
187.05045	1.7
188.07065	3.0
189.02977	1.7
191.04579	1.6
200.07132	1.4
202.08665	3.8
204.05220	1.8
215.04587	4.3
216.05025	7.1
216.10159	3.5
217.02498	5.6
217.06113	9.7
218.06873	2.9
228.06517	1.9
229.06035	8.1
230.03284	3.4
230.06909	5.2
231.07759	13.8
232.08400	5.2
241.06145	4.2
242.03278	5.2
243.04086	24.9
243.07751	2.1
244.04781	15.4
244.09866	13.5
245.09454	5.7
248.09349	2.8
256.04822	7.1
257.05682	19.3
257.09311	1.8
258.06372	7.6
259.07217	54.0
259.10794	6.8
260.07443	2.1
269.09232	3.9
271.07224	27.5
272.07767	2.1
276.12537	1.4
285.08804	3.8
287.10370	77.1
288.08344	7.3
288.11456	1.8
289.08585	1.8
291.09842	13.4
303.09775	2.3
313.08295	100.0
314.08597	7.8
319.13220	1.6
331.09326	42.9
332.09613	3.1
335.08905	2.3
345.10956	6.8
357.07071	2.1
375.08322	18.5
389.10001	4.0
407.10922	50.2
407.16605	2.8
407.18790	2.4
408.11356	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	407.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73893	1.4
57.03312	5.2
58.99470	16.6
59.01246	64.6
59.80741	1.5
69.33011	6.0
69.33445	7.6
71.01265	10.2
71.04884	1.6
72.99164	2.1
73.02815	4.0
74.98966	2.6
79.73216	1.5
83.01238	2.2
85.02821	9.0
87.00748	61.0
89.02304	5.8
91.87215	1.7
99.00760	1.8
101.02311	6.6
102.98468	65.1
103.03873	5.1
108.02048	2.4
113.02310	3.6
119.03403	1.9
119.04868	2.2
121.02819	1.5
129.01810	3.4
135.04387	1.8
160.03918	3.8
161.01088	2.3
161.02350	33.9
173.00595	13.0
175.02141	46.7
176.02438	3.2
177.00174	1.6
185.02328	5.0
190.04994	1.8
201.00072	25.6
202.59085	1.4
204.99580	12.4
215.05244	3.7
215.07130	2.6
219.01129	62.1
220.01457	4.9
225.05441	5.8
227.07083	2.0
227.16420	3.9
243.06520	8.2
244.99089	2.3
259.04300	74.4
260.04620	5.5
265.09357	3.1
270.04022	4.2
277.05380	100.0
278.05679	9.0
291.06802	1.8
347.05881	14.4
363.40857	1.6
365.06934	23.4
366.07211	2.9
389.06668	1.7
407.08252	4.9
407.14102	2.5
407.22961	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	407.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.3
59.01251	46.6
65.99712	2.3
69.71499	3.1
69.71916	2.9
71.01254	7.1
72.99174	1.4
73.02827	4.5
75.00734	1.0
82.02865	12.1
83.01256	3.7
85.02834	4.1
87.00745	1.8
89.02314	4.8
101.02320	5.9
103.03878	2.2
113.02332	4.0
119.03361	1.4
136.03937	1.7
142.38141	1.0
160.03969	1.2
160.07620	3.2
161.04575	1.3
162.04254	2.4
164.03430	5.8
172.03961	1.0
173.04689	1.7
174.01866	1.7
174.05507	2.2
174.09190	1.0
175.02716	1.0
185.11763	1.4
186.05571	2.0
188.07072	4.8
189.02921	1.6
189.06645	2.4
190.01152	1.0
191.04541	1.7
194.04585	1.4
200.07191	2.3
202.08765	4.6
214.05090	1.1
215.04451	2.3
215.08360	1.4
216.05293	5.2
216.06763	3.7
216.10213	2.3
217.02542	5.8
217.06081	9.9
218.06837	3.3
227.08372	1.5
228.06790	2.8
229.06029	12.3
230.03226	3.9
230.06934	3.8
231.07686	13.4
232.08395	5.3
233.09212	1.1
241.06168	4.3
242.03406	3.8
242.08217	1.7
243.04076	24.2
243.07692	5.3
244.04810	13.5
244.09851	12.9
245.05382	1.2
245.09251	6.3
248.09241	1.9
254.06781	1.8
256.04840	7.2
257.05658	17.6
257.09262	2.5
258.06317	7.5
259.07242	47.1
259.10828	7.3
260.07391	2.1
265.09381	2.4
269.09323	3.5
270.07556	1.7
271.07224	25.4
272.07764	4.0
275.06714	1.3
276.12439	1.5
285.05206	1.9
285.08847	5.5
287.10361	75.3
288.08752	6.5
288.11069	3.7
289.08588	1.0
291.09830	12.8
298.06027	2.0
302.05515	1.5
303.09784	2.6
307.10129	1.1
313.08298	100.0
314.08682	8.0
317.07843	2.2
319.12845	1.6
331.09369	50.9
332.09628	3.6
345.10907	8.6
347.17075	3.5
357.07230	1.6
365.18222	2.9
375.08295	19.1
376.08710	1.8
389.09872	3.3
407.10959	61.0
407.18942	4.3
408.11337	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.9
58.00454	1.7
59.01251	23.9
60.44207	0.6
66.15594	0.5
69.24029	2.3
69.24449	2.8
71.00850	0.7
71.01244	11.7
72.99177	1.2
73.02805	2.7
75.00732	1.0
75.32970	0.5
83.01271	1.0
83.04913	0.7
85.02818	25.3
85.91272	0.4
87.00763	1.9
89.02312	3.6
93.06966	1.6
97.06433	0.6
99.00735	0.8
99.04376	1.9
99.16003	0.5
101.02312	5.0
101.05962	0.9
103.03886	38.4
104.04213	1.1
109.06465	1.5
111.08018	2.9
113.02322	2.4
113.09636	0.6
117.05467	0.6
119.02544	0.4
119.03362	1.8
123.08068	0.5
125.02311	0.9
125.05994	0.8
125.09595	1.5
127.07496	1.8
134.03601	0.7
135.08133	0.5
137.05974	8.7
137.09554	0.8
139.07555	2.8
143.10655	2.1
145.04904	1.1
148.67677	0.5
153.09109	2.3
155.06990	0.6
157.08601	27.1
158.08951	0.9
161.04518	0.7
169.08655	0.5
171.10173	12.6
172.10501	0.8
179.05478	0.6
181.08617	1.3
192.65190	0.5
199.09686	18.4
200.10083	0.5
225.14873	0.6
241.06087	0.8
247.08212	1.4
265.09296	9.4
281.09286	1.0
285.12161	0.6
311.10266	2.6
329.11307	1.3
373.10220	0.6
405.17593	100.0
406.17865	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	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01742	2.0
57.03317	1.8
58.00471	1.3
59.01249	34.1
60.01616	0.6
61.98689	1.7
71.00852	1.2
71.01248	23.8
72.99178	1.8
73.02818	7.4
78.73983	0.6
83.01249	3.7
85.02826	8.6
85.06450	2.6
87.00755	1.7
87.04415	0.9
89.02312	11.3
95.01276	1.9
96.95879	1.3
97.02862	0.6
99.00763	4.3
101.02314	14.4
107.04907	0.7
113.02321	6.9
119.03377	4.7
120.99557	1.8
125.02374	0.7
143.03421	0.8
155.14290	6.5
161.04472	1.9
179.05479	1.1
181.15894	2.8
182.00528	0.6
183.13831	1.2
199.13322	15.5
200.13660	0.6
204.06638	0.7
225.14874	3.4
304.01019	0.6
363.20230	2.4
373.13834	0.8
387.20206	1.3
405.21262	100.0
406.21603	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	405.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05264	1.2
59.01247	100.0
61.47649	1.5
61.98691	5.4
63.81341	1.3
71.01257	2.2
210.47026	1.3
229.43605	1.4
300.65579	1.4
357.92569	1.4
405.26266	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	404.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.4
61.98703	13.3
71.52385	0.8
71.75455	0.5
78.26030	0.5
82.19601	0.7
88.81591	0.6
88.86992	0.6
90.58546	0.5
152.85930	0.6
222.05513	1.4
250.05048	0.9
264.06500	2.4
265.03778	0.8
266.04565	37.0
267.05206	6.8
278.04657	1.7
278.08234	7.7
279.05252	1.3
279.08841	1.9
289.07297	0.7
290.08218	3.1
292.06116	12.0
293.06567	0.7
306.02475	1.4
306.03949	1.0
306.07706	20.3
307.08463	35.7
308.08801	2.8
322.10818	100.0
323.11096	9.7
329.94479	0.6
337.36362	0.7
339.07443	1.0
389.07391	0.8
404.09918	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	404.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02843	7.9
59.01248	13.4
67.69855	0.8
69.60015	4.8
71.01246	3.2
72.00761	1.7
73.02811	2.1
74.02348	13.6
82.02862	1.6
85.02797	2.3
86.02354	6.5
86.98970	1.1
87.05516	5.8
89.02331	1.2
90.00045	1.2
91.65237	1.2
97.03947	1.5
99.05514	12.7
101.02325	3.3
101.07076	2.5
102.05465	2.1
103.03886	2.4
103.41758	0.9
109.03961	2.0
112.03896	2.4
113.02307	2.7
114.05497	10.2
116.01561	1.1
116.77646	1.0
123.05556	1.7
124.03932	1.1
127.05020	2.6
128.03423	35.7
129.03720	1.1
135.05493	4.8
137.07066	1.3
141.06599	3.1
143.04521	50.1
145.06058	1.3
146.04480	4.2
153.06609	2.8
156.06566	7.1
160.00639	17.0
167.04492	3.4
170.08107	2.3
177.03284	7.5
179.04550	9.5
181.06126	1.8
185.05579	1.8
197.05684	1.6
201.79768	0.9
210.08791	9.7
229.68962	1.0
242.07784	1.4
254.07767	20.3
255.08150	1.9
272.08875	35.0
273.09097	1.8
288.06598	12.0
306.07629	100.0
307.07977	4.8
404.15616	11.6
405.16681	2.2
405.21573	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1702
Annotation	CHEBI:68375
Peak:m/z	Relative Intensity
59.01232	4.1
61.98688	2.9
63.02254	1.3
65.00191	7.9
69.76732	4.5
70.65565	0.8
71.01256	0.9
77.42240	0.9
83.01248	2.5
98.20502	1.0
103.05393	2.4
105.06956	2.4
107.01256	3.6
107.04886	5.1
129.06985	2.9
131.04895	5.3
132.05705	22.3
133.06030	1.3
136.65906	1.0
149.05974	12.0
151.00266	10.1
161.09615	3.9
164.04697	16.7
173.05995	13.5
174.06360	1.3
175.03906	2.5
177.01825	1.6
187.11198	65.9
188.11516	2.6
191.07043	1.2
198.10323	2.1
213.83940	1.0
217.04994	49.7
218.05325	2.6
230.09415	3.2
231.06552	2.1
243.06584	1.5
253.15930	11.2
254.16100	1.0
380.27933	1.0
405.17020	100.0
406.17361	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1971
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
55.01758	1.0
57.03320	7.1
58.00452	1.1
58.02850	0.4
59.01247	9.7
67.01758	0.4
68.52262	0.2
69.03322	24.8
70.03635	0.4
71.01249	13.9
72.99171	1.2
73.02811	3.9
74.02351	0.9
75.00760	0.6
83.01257	1.6
85.02818	8.5
86.02348	0.4
87.00771	0.7
87.04389	5.0
87.05537	0.3
89.02311	5.2
89.02835	0.3
94.84129	0.2
95.01270	1.1
95.04911	1.2
97.02813	1.2
97.06483	0.4
98.20636	0.4
99.00754	0.9
99.04422	0.4
99.05541	0.7
101.02317	6.2
102.05464	0.4
105.06974	0.2
109.02855	0.2
109.06457	1.2
111.04433	0.9
111.08097	0.3
113.02334	4.8
119.03400	1.9
121.06454	0.3
122.03610	0.6
123.04446	0.3
123.08073	0.5
125.06000	0.3
128.03423	2.1
129.01830	0.3
135.08055	0.7
136.05217	0.5
137.05981	0.5
137.09641	0.5
138.06755	14.2
139.00285	0.3
139.07516	0.4
143.03461	0.3
143.04492	2.7
147.08025	0.2
149.02362	0.5
149.06075	0.2
151.07510	0.3
151.11169	0.4
152.08318	0.2
153.01817	0.3
153.09111	28.7
154.09435	1.5
155.10661	0.4
159.02911	0.6
160.00618	0.6
161.04460	3.7
163.11238	1.1
164.04655	0.2
167.04654	0.2
167.07027	0.4
169.12251	0.2
177.03413	0.3
179.04422	0.4
179.05751	0.3
181.12363	0.3
183.13802	0.7
187.11261	0.4
190.09937	0.6
195.04985	0.3
197.05624	0.3
205.12280	2.4
210.08804	0.6
211.13348	0.9
223.13307	1.7
225.04059	0.3
229.14957	0.2
238.05167	0.2
241.14407	100.0
242.14734	6.1
254.07671	1.0
255.37260	0.2
272.08908	1.3
274.29721	0.2
288.06616	0.6
306.07617	4.1
403.19717	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1971
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
55.01751	1.1
57.03321	2.3
58.00466	1.3
59.01247	100.0
60.01574	1.7
62.58590	0.9
69.03320	6.5
69.87678	4.9
70.23155	0.8
71.01250	30.7
72.99171	2.4
73.02815	9.6
82.77699	0.9
83.01238	3.9
83.04877	1.1
85.02816	11.0
87.00742	19.6
87.01269	1.2
87.04409	2.0
89.02309	19.2
93.03325	0.9
95.01266	2.9
95.04898	1.6
97.02811	1.7
97.06412	0.8
98.20528	1.6
99.00752	2.2
99.04375	2.1
99.84083	0.9
101.01706	0.8
101.02316	19.7
108.02056	1.0
109.02885	1.0
111.00762	3.3
111.04366	1.0
113.02338	15.1
119.03413	5.9
120.99551	1.9
121.02839	2.9
123.04399	1.8
125.02313	1.0
129.01854	2.2
132.04454	0.9
133.02878	2.3
134.03627	3.5
135.08144	0.9
137.02321	2.5
137.09616	1.7
138.06770	3.2
139.03911	0.9
143.03369	1.4
145.02844	2.9
149.04372	0.9
153.09097	8.5
155.10597	0.8
159.02843	1.3
159.08148	1.1
161.04459	4.3
162.05466	0.8
163.07475	0.9
165.05434	0.9
165.09058	0.8
166.94855	0.8
178.02612	2.6
179.05501	1.5
179.10793	1.1
190.05092	1.1
193.04993	5.8
197.11732	0.9
223.09731	2.3
223.13342	2.1
241.05196	1.0
241.14401	23.7
242.14914	1.1
243.15994	2.6
265.09412	1.1
272.03967	1.5
283.06009	4.3
313.16574	1.0
315.12759	0.9
327.09781	2.0
343.17685	1.1
359.17126	1.3
371.04343	1.0
371.08844	1.5
388.11151	1.1
399.40521	0.8
403.10916	3.2
403.19717	35.6
404.11667	0.8
404.20038	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	403.1971
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
54.15357	0.3
55.01743	1.0
57.03315	1.4
58.00450	1.4
59.01249	42.3
60.01578	0.4
60.14001	0.3
67.33241	0.3
69.03316	1.2
71.01248	18.7
71.04891	2.6
71.22282	0.5
72.99178	1.2
73.02822	2.4
83.01247	2.1
85.02814	6.4
87.00735	1.4
87.81125	0.3
89.02314	11.5
95.01259	1.8
99.00740	1.3
99.04407	0.4
101.02319	12.5
103.03894	0.4
111.07961	0.4
113.02326	6.4
119.03394	3.7
119.04837	0.4
123.08049	2.1
125.02313	0.4
146.11885	0.4
155.07045	0.5
161.04497	0.7
163.11180	1.2
172.73781	0.3
179.14313	2.6
191.41599	0.3
197.15598	0.4
223.13347	16.1
224.13689	0.8
241.14424	2.7
242.84671	0.4
265.09253	0.5
361.18472	0.6
361.22534	0.4
403.19702	100.0
404.20087	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	401.2691
Annotation	Dendroidinic acid
Peak:m/z	Relative Intensity
55.01745	0.9
59.01242	0.3
59.25354	0.2
69.03323	11.2
69.35467	2.3
71.04877	1.1
78.19093	0.3
97.06483	0.7
98.19795	0.5
99.04393	19.8
100.04745	0.3
121.02816	0.9
123.45452	0.2
153.61888	0.3
165.12758	0.7
178.28232	0.3
275.23773	6.9
276.24185	0.6
279.14340	0.3
301.21704	10.4
302.22079	0.9
309.54861	0.3
313.07574	0.3
319.22742	8.1
320.23038	0.8
357.27966	0.3
377.55176	0.4
394.69382	0.3
401.26929	100.0
402.27271	14.0
402.31583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1971
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
52.23751	0.4
55.01761	0.8
57.03316	1.1
58.00469	1.0
59.01248	100.0
60.01590	1.1
71.01253	20.9
71.52394	0.8
72.01599	0.4
72.99181	1.6
73.02812	6.8
75.00741	1.3
83.01255	2.4
85.02808	5.4
87.00739	2.8
87.04394	1.8
89.02312	13.4
93.03342	0.6
95.01274	2.0
96.95918	0.4
97.06518	0.5
99.00763	0.9
99.04417	0.5
101.02318	11.8
102.98496	0.4
103.03873	0.5
109.30389	0.4
111.00765	0.6
113.02330	11.9
115.00294	0.4
115.03880	0.5
116.15531	0.4
119.03391	5.3
121.02840	0.9
125.02405	0.6
129.01822	0.4
131.03397	0.9
134.03670	0.5
137.09610	1.1
139.00282	0.6
139.07520	0.5
141.09164	0.4
143.03404	1.3
149.04469	0.7
152.01030	0.7
153.09145	0.5
153.98991	1.7
159.02837	0.5
161.04466	3.6
167.03337	0.5
169.01335	6.6
173.11017	0.4
179.05548	1.3
181.08603	0.5
184.03680	4.2
193.05034	0.4
195.12173	0.4
195.13885	1.6
197.11763	0.4
199.06073	4.0
223.13315	0.9
237.06319	0.4
241.14442	4.9
248.24236	0.4
257.04434	0.4
327.09698	1.0
343.13559	0.5
343.17596	1.0
361.18689	1.2
371.08890	0.8
403.10858	1.4
403.15790	1.2
403.19894	13.3
404.20270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2694
Annotation	Dendroidinic acid
Peak:m/z	Relative Intensity
55.01744	1.6
58.49575	0.5
59.01226	0.8
69.03325	8.3
71.04877	0.8
71.43896	0.9
79.53229	0.5
90.17467	0.4
96.25486	0.5
97.06435	1.3
99.04389	40.7
100.04699	0.9
121.02803	2.1
215.61320	0.6
233.46245	0.5
252.62386	0.5
258.32394	0.5
275.23758	7.2
301.21695	16.2
302.22043	2.1
313.07233	0.7
319.22739	7.4
320.23099	0.9
349.73508	0.5
357.06195	0.6
401.26920	100.0
402.27325	14.3
427.66864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15408	3.2
56.70342	3.7
59.01241	20.7
61.98680	5.2
71.01255	6.4
71.52410	3.7
74.08576	3.6
76.41032	3.5
77.57806	3.3
79.19791	3.8
89.02281	6.6
98.20413	3.6
121.02840	100.0
122.03087	3.8
125.40340	3.4
155.68301	3.2
163.32692	3.8
181.06425	7.1
225.05478	6.3
289.14365	7.3
299.12704	5.8
305.74622	4.0
313.07111	27.5
330.30707	4.1
341.10953	8.4
357.06201	5.2
401.08594	23.0
401.27051	11.9
402.19247	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	401.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.7
55.11049	1.5
57.03316	3.7
59.01248	100.0
65.20108	1.3
67.46332	1.6
69.12976	1.6
71.01251	28.2
71.52560	1.8
72.99179	4.5
73.02818	20.9
73.77458	1.4
75.00744	27.3
83.01256	6.3
84.30612	1.4
85.02814	19.3
87.00737	8.8
87.03235	2.8
89.02321	13.8
99.00755	8.2
101.02307	22.1
103.03822	1.9
109.02843	1.7
111.00730	2.8
111.24630	1.4
113.02324	13.0
117.01818	6.9
119.03378	4.3
119.04899	21.4
121.02836	43.9
122.03180	2.1
124.43698	1.4
129.01830	11.8
131.03392	2.4
135.02870	2.4
135.04410	4.1
136.07516	1.8
143.03430	2.6
149.02327	21.8
149.04347	2.2
153.01875	1.5
159.02867	4.3
161.04448	5.7
164.04688	16.6
177.03940	18.0
177.05367	2.6
179.03383	2.1
179.05573	2.0
179.07117	3.8
195.03224	3.2
195.04997	35.6
195.06757	2.5
208.03790	2.3
221.11772	3.6
223.06081	23.5
265.09213	1.5
281.10303	20.0
282.10638	3.3
299.11337	9.4
341.08759	5.4
341.12418	3.9
357.17761	1.7
401.10806	46.4
402.11304	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	401.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69575	0.2
53.94779	0.2
54.47511	0.3
55.01741	0.3
57.03308	0.4
59.00954	0.4
59.01246	7.8
60.01585	0.3
69.03316	0.4
69.63560	1.7
71.01248	4.0
72.99199	0.4
73.02814	1.9
75.00760	0.6
81.03335	0.3
83.01259	0.6
85.02834	1.4
85.59517	0.2
87.00759	0.6
87.04404	0.5
89.02322	1.3
95.04829	0.2
99.00744	0.8
99.04406	0.3
101.02310	1.9
102.98478	0.4
111.00778	0.3
111.70776	0.3
113.02322	1.3
117.05463	1.2
119.03384	0.5
121.02837	100.0
122.03186	3.2
123.04369	0.3
124.44119	0.3
126.35539	0.2
129.01811	0.3
135.00865	0.2
135.04408	13.2
135.06516	7.3
136.04715	0.6
143.03459	0.2
149.02324	0.3
153.01843	1.1
153.05527	0.3
161.04477	0.4
163.03867	1.7
167.03374	0.3
177.03841	0.3
179.10805	0.4
181.01314	1.8
182.02101	2.1
197.04459	2.3
205.04927	0.3
213.47804	0.2
223.06172	0.3
239.05667	0.3
239.12961	0.3
265.07086	0.4
279.10883	1.7
348.81381	0.3
357.08124	0.3
359.20837	0.4
386.08505	0.3
401.09845	0.3
401.14178	2.2
401.18335	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11553	0.2
57.03328	0.7
59.01249	9.0
71.01248	5.7
72.99175	0.5
73.02817	1.5
75.00752	0.6
81.03339	0.4
83.01265	0.8
85.02818	4.0
87.00746	0.6
89.02325	2.8
93.03344	0.3
95.01264	0.5
99.00747	0.3
99.04397	0.5
101.02318	2.8
103.03886	6.0
107.04909	1.1
108.02069	0.3
108.77119	0.2
109.02842	3.0
111.00788	0.4
113.02343	2.3
119.03356	1.3
121.02840	100.0
122.03174	3.4
135.04414	14.3
135.06526	4.1
136.04773	0.5
137.05873	0.4
138.05472	0.9
143.03409	0.3
149.02370	0.5
152.01030	1.2
153.01839	5.5
153.09143	0.3
161.04494	1.3
163.03947	1.6
164.04674	0.5
167.03467	0.3
177.03952	1.1
179.05516	0.4
179.07034	0.4
181.01308	0.4
195.02910	4.5
195.04770	0.4
196.00731	0.3
196.03491	0.4
205.04970	0.3
223.05980	1.4
229.14369	0.3
229.16457	0.3
247.08276	0.7
250.12184	0.3
255.05042	3.9
265.06476	0.5
265.09296	8.4
279.10843	1.7
342.11826	0.6
383.09317	0.4
401.10736	12.3
402.11121	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	401.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	11.7
57.03317	11.2
59.01248	54.5
69.03323	2.6
69.55470	17.8
71.01251	100.0
72.01599	3.0
72.99157	4.1
73.02825	34.3
75.00746	33.2
83.01253	15.6
85.02815	50.9
85.99994	3.1
87.00746	10.3
89.02326	18.2
95.01251	7.0
97.02798	5.7
98.20625	4.3
99.00748	16.6
101.02321	69.3
101.02989	3.5
102.06940	3.0
103.03880	7.2
105.96694	2.7
108.02006	2.4
109.02835	4.9
113.02323	30.4
115.03889	5.2
119.03410	3.1
121.02852	28.8
125.02286	6.9
129.01813	7.3
131.03392	4.5
135.04414	23.1
137.02338	6.2
143.03404	3.5
149.02354	17.9
151.03923	3.9
153.01808	8.6
159.02835	8.2
161.04466	28.8
163.03900	2.7
164.04726	13.7
177.03969	23.4
179.03508	4.6
195.02876	7.3
195.05014	16.9
223.06107	15.6
233.06566	5.0
245.30200	2.7
255.05074	6.1
265.09201	7.4
269.10303	48.1
270.10687	3.2
290.93900	2.7
297.59387	2.5
401.09750	29.3
401.15152	32.4
402.15027	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	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54573	0.6
55.01756	0.8
57.03314	4.6
57.37083	0.6
58.00456	1.0
59.01248	47.2
65.84527	0.6
67.48209	0.6
69.03336	0.7
69.34422	5.6
71.01250	22.2
72.99168	1.8
73.02818	3.5
75.00735	2.4
76.01760	0.6
81.03332	1.1
83.01241	2.6
85.02819	20.4
87.00753	2.5
88.58347	0.7
89.02311	13.5
91.01756	1.2
95.01255	3.1
96.99076	0.7
99.00748	0.9
101.02315	13.0
103.01208	0.7
103.03885	44.2
104.04221	0.9
107.04904	8.0
108.02052	4.1
109.02831	29.8
110.03182	0.7
111.00735	1.5
112.25316	0.7
113.02329	9.2
119.03410	6.0
121.02834	36.4
122.03210	0.8
123.00770	1.6
123.04452	1.0
129.01840	1.2
131.03394	1.1
135.00827	1.4
135.04395	4.9
135.06496	1.3
137.02310	1.1
138.05515	5.0
139.00212	0.6
140.34004	0.6
143.03371	0.8
144.73032	0.7
149.02266	1.5
151.03920	1.3
152.01050	10.0
153.01831	42.3
161.04498	4.3
163.03897	1.0
163.07634	0.7
164.04677	0.9
167.03345	1.2
177.02029	0.6
177.03931	2.3
177.05339	0.7
179.05481	1.2
179.68105	0.6
195.02925	38.2
196.03287	1.5
223.06064	1.2
225.04140	0.7
239.05754	0.7
247.08220	3.9
255.05067	31.0
256.05469	2.1
265.09259	60.0
266.09644	2.4
291.07114	3.5
297.06024	2.0
342.11911	2.6
383.09766	2.7
401.10822	100.0
402.10986	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	401.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	5.5
59.01242	13.6
66.58836	1.0
67.59896	1.1
69.35101	8.3
71.01248	13.7
72.99174	4.0
75.00742	29.9
77.36203	1.1
83.01240	1.2
85.02824	14.3
87.00747	12.1
89.02319	4.4
93.40259	1.4
99.00750	6.0
99.07371	1.0
101.02322	4.2
111.00723	1.2
113.05605	1.1
121.02856	3.3
129.01820	19.6
135.79292	1.0
137.02306	1.3
147.04388	3.5
149.02348	29.6
159.02916	6.5
164.04703	34.0
165.04990	1.7
177.03952	100.0
178.04289	2.3
179.07033	3.0
191.03291	1.7
195.05025	78.4
196.05350	2.6
202.65286	1.1
205.04950	3.9
206.05661	2.0
208.03769	1.4
221.08141	2.3
223.06059	55.3
224.06293	1.8
250.04916	1.4
265.07156	1.5
325.09317	2.7
333.87918	1.1
341.06708	1.2
345.88464	1.1
383.09753	2.9
401.10803	69.8
402.11081	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	401.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	7.8
57.25403	1.1
59.01247	15.3
69.71606	6.5
71.01249	17.1
72.99186	6.3
73.02802	2.4
75.00742	29.6
83.01256	2.0
85.02820	21.8
85.87196	1.0
87.00742	5.2
87.03261	1.4
89.02308	6.3
91.05435	1.5
92.21632	1.3
97.02796	1.8
99.00751	11.7
101.02296	3.0
103.03883	1.8
108.02047	4.2
109.02822	4.8
111.00757	3.4
113.02336	1.7
121.02834	13.8
129.01823	28.1
132.01982	1.2
135.04439	1.7
141.01852	1.9
147.04417	7.7
149.02338	96.2
150.02669	3.8
152.01044	6.3
153.01807	2.2
159.02904	6.2
163.03999	1.9
164.04695	75.2
165.04979	2.5
177.03952	28.3
179.07039	5.1
190.02518	1.2
193.01273	1.8
194.03813	1.2
195.05032	65.6
196.05325	3.3
205.04918	2.0
206.09436	1.3
208.03728	6.7
221.11803	1.9
223.06068	100.0
224.06421	5.6
225.05035	1.7
252.17909	1.2
401.10840	21.3
402.11313	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	401.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	10.4
67.32967	2.2
70.65024	4.7
70.65356	4.7
71.01249	7.5
72.25021	2.1
72.99180	2.3
75.00748	2.3
85.02821	23.3
86.76115	2.2
89.02343	2.4
90.17480	2.2
101.02329	3.8
108.02039	67.8
109.02850	33.3
120.62656	2.0
123.00922	2.5
129.01811	4.4
149.02307	15.8
152.01045	57.9
153.01822	24.5
164.04683	18.9
177.04015	6.2
178.06891	2.8
180.75941	2.3
191.01869	4.9
195.05043	9.7
208.03619	2.9
209.02971	4.9
223.06050	46.2
286.60880	2.2
315.07257	4.4
357.08237	100.0
358.08627	9.3
401.10764	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	401.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	10.7
59.69908	3.6
61.98695	19.8
64.43410	3.6
70.38984	5.2
70.39337	18.3
72.48175	3.6
85.01672	4.1
89.02310	5.3
121.02835	40.1
158.63245	4.2
225.05409	3.7
228.76544	3.8
280.02390	6.0
282.04053	4.5
308.05585	30.0
313.07175	9.4
322.07169	18.3
323.07892	49.5
324.08148	6.7
338.10297	100.0
339.10666	12.9
347.86264	4.5
357.05780	6.4
401.08679	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	401.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17910	1.8
53.18962	1.9
55.01732	2.2
57.03316	10.6
59.01253	17.4
59.80272	1.8
60.21706	1.7
68.99696	2.4
69.32330	3.3
69.32740	14.0
69.40090	1.9
71.01250	15.0
72.99165	4.5
73.02808	2.7
73.64139	2.1
75.00743	22.6
83.01250	2.5
84.02023	2.8
85.02820	79.5
86.98532	2.1
87.00733	11.0
89.02309	7.6
93.03351	2.2
97.02821	5.4
98.19765	1.9
99.00741	3.6
101.02287	5.4
111.00756	3.7
111.25495	1.8
113.02280	2.6
121.02830	12.3
122.02349	3.1
127.24142	1.8
129.01791	13.7
137.57343	1.9
147.02907	3.2
147.04396	7.8
149.02338	100.0
150.02776	2.4
152.01039	4.0
159.02870	4.0
163.03844	2.0
164.04694	73.6
165.05113	3.2
171.90276	1.8
177.03941	21.5
179.07011	10.6
191.01904	12.8
193.01309	7.1
195.05009	15.6
208.03683	18.3
209.02849	11.4
212.48714	2.1
223.06061	99.5
224.06419	5.6
226.21637	2.0
401.10834	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	401.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	12.2
63.04428	1.9
66.60389	2.2
67.01752	7.1
69.30637	19.3
71.01239	5.2
72.99178	36.1
73.02798	5.2
77.03828	3.6
81.03305	11.0
83.01254	9.7
85.02834	8.7
87.00745	2.8
93.03329	38.4
95.01272	3.5
95.04893	5.6
99.00755	3.0
99.04403	3.2
101.02356	5.2
105.03321	4.3
106.04129	3.3
107.04918	14.6
108.02053	6.8
109.02853	7.2
110.00002	2.9
111.00763	92.2
115.03870	3.7
121.02860	21.7
123.04402	43.2
129.01843	3.7
133.02841	20.5
134.03687	2.3
135.04407	23.4
137.02321	4.0
143.03407	7.0
149.02400	5.2
149.39182	1.9
150.03134	3.9
151.03908	100.0
152.04240	4.6
153.01918	2.6
154.99802	14.3
173.00838	26.4
179.03378	14.2
204.63596	2.3
205.03461	38.1
213.04092	2.4
237.17657	2.3
245.88162	2.1
401.21735	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	401.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	4.5
59.01249	29.6
63.86837	3.1
67.24281	2.7
71.00174	7.1
71.01257	15.2
73.02817	4.4
75.00741	6.7
85.02820	39.9
86.13683	2.6
87.00772	13.1
89.02290	9.0
90.90406	3.1
101.02326	8.9
108.02050	79.5
109.02831	73.2
113.02330	5.6
119.04847	3.3
121.02881	6.1
123.00770	7.9
123.04395	5.3
129.01822	6.9
133.98615	3.3
135.04431	3.8
137.02303	2.7
138.03094	8.8
147.04442	5.1
148.94327	3.2
149.02335	40.0
152.01060	62.3
153.01825	61.1
153.05437	4.9
159.37094	3.1
164.04701	27.7
177.03957	11.5
179.03450	3.6
179.05548	4.6
179.07024	7.2
181.01285	2.7
182.02057	8.9
191.01874	4.3
191.05516	3.6
195.04974	10.0
195.06609	4.9
197.04486	22.5
208.03709	4.6
209.02943	13.2
223.06085	59.1
265.07135	5.4
295.08258	4.7
315.07190	11.7
341.10736	6.9
357.08237	100.0
358.08472	8.0
401.10910	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	401.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75337	3.5
57.70248	3.4
59.01242	20.8
65.03806	3.4
66.68537	2.8
67.01752	11.1
68.99658	3.9
69.03325	3.0
71.01231	12.7
72.99184	32.2
73.02807	9.8
77.03815	4.5
81.03318	5.7
83.01257	18.0
84.41850	2.8
85.02822	7.8
86.77567	3.2
93.03332	48.5
95.04884	12.5
97.02813	11.4
99.00755	6.4
99.04383	3.8
105.03336	9.7
106.04110	4.5
107.04893	23.7
108.02064	16.5
109.02809	14.9
111.00763	100.0
113.02327	3.4
119.04925	11.5
121.02855	31.9
123.04404	71.4
125.02360	4.4
133.02844	18.4
134.03607	9.9
135.04420	56.5
136.04805	4.2
137.02312	4.2
143.03412	10.6
146.42181	4.4
151.03917	54.4
154.99756	7.5
163.03847	8.4
169.01299	16.0
173.00830	20.0
179.03429	27.2
195.02904	7.7
205.03474	16.9
213.03986	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	399.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42727	0.2
55.01755	3.1
57.03322	10.9
58.00464	0.9
59.01249	18.8
60.01595	0.3
67.01759	0.8
68.99680	0.9
69.03320	2.8
71.01250	70.0
71.04877	1.1
71.52917	0.3
72.01587	1.2
72.02029	0.7
72.99179	1.9
73.02815	9.6
75.00755	0.4
78.96053	0.2
81.03359	0.3
83.01255	13.0
83.04920	0.4
84.02039	1.4
85.02821	61.0
85.99985	0.6
86.03139	1.2
87.00745	3.9
87.04386	32.2
88.04720	0.5
89.02311	9.0
93.03316	0.5
95.01258	19.2
96.01599	0.7
96.21741	0.2
97.02833	2.5
99.00752	12.6
99.04391	0.5
100.01050	0.2
101.02319	11.5
102.98476	0.6
103.03893	1.5
105.64317	0.2
111.00719	0.5
111.04403	0.2
112.01531	2.0
113.02325	100.0
114.02672	2.1
115.03871	0.3
119.03387	0.5
121.02824	0.3
124.01556	0.7
124.05122	0.2
125.02343	1.7
125.09615	0.4
129.01855	0.4
131.03455	0.4
137.02325	0.3
139.00288	0.7
143.03404	3.8
144.03732	0.3
149.02324	0.8
149.13303	0.4
150.03104	0.4
151.02699	0.3
151.03908	4.0
151.11209	0.6
159.02875	0.9
160.03706	0.6
161.04462	6.7
162.04849	0.2
165.05464	1.3
167.14313	1.0
169.12244	1.8
175.13028	0.2
179.14320	2.1
183.13760	1.5
185.15462	1.3
191.46310	0.2
197.15323	0.3
207.13861	0.3
211.16982	0.5
233.15498	0.3
251.16524	0.3
253.51337	0.2
255.19601	3.4
265.09494	0.2
297.20724	0.3
311.18570	0.7
323.18509	0.3
351.21829	0.3
369.22763	0.3
397.22336	0.3
399.12875	3.0
399.23846	34.9
400.13281	0.5
400.24228	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	399.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30836	25.1
52.65593	25.7
54.51197	25.8
59.01240	100.0
60.59184	30.3
61.98701	56.9
64.04262	30.4
70.11687	96.5
71.16238	22.9
77.76972	24.2
85.02839	29.5
98.20375	52.3
179.87976	23.5
196.16989	94.2
263.09488	30.2
399.22568	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.5
57.03311	0.4
58.00461	0.6
58.27803	0.3
59.01250	14.1
69.03322	0.3
69.21300	3.6
71.01250	12.5
72.01578	0.4
72.99187	1.0
73.02818	1.4
75.00725	0.3
83.01273	0.9
85.02819	2.7
87.00770	0.5
89.02307	2.8
93.03361	0.5
97.02842	0.4
99.00752	0.8
101.02325	3.6
107.04938	0.4
108.02052	0.4
109.02854	0.7
111.47354	0.3
113.02329	2.3
115.03880	0.8
119.03416	0.8
119.04905	0.7
121.02841	100.0
121.52380	0.4
122.03169	3.5
125.02313	0.6
133.04974	1.3
133.06433	0.4
135.04413	88.3
136.04733	4.1
153.01814	0.4
161.04462	0.5
161.05830	0.4
163.03925	10.6
164.04303	0.4
167.52194	0.3
177.05525	0.3
189.05396	0.3
193.05009	0.8
203.10635	0.3
217.05025	0.5
223.06082	2.5
240.63820	0.4
295.18805	0.3
399.12924	49.4
400.13290	4.3
420.71085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1296
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
55.01743	0.7
55.30544	0.4
58.00461	0.4
59.01254	13.2
69.21230	4.2
69.21636	0.8
71.01251	11.8
72.44844	0.4
72.99179	1.4
73.02802	0.8
75.79096	0.6
82.05593	0.4
82.67982	0.4
83.01276	1.1
85.02834	1.9
87.00739	0.5
89.02317	3.0
97.62446	0.4
97.70482	0.5
99.00747	1.4
101.02314	2.8
107.04924	0.5
109.02891	0.6
113.02332	2.7
115.03893	0.9
119.03394	0.9
121.02841	100.0
122.03168	3.5
123.04388	0.5
133.04967	1.3
135.04411	91.4
136.04759	3.0
147.04454	0.6
161.04434	0.7
163.03918	11.5
172.42111	0.5
193.04996	1.0
217.04985	1.1
223.06163	3.4
236.50426	0.5
248.12033	0.5
315.07153	0.5
399.12927	58.9
400.13318	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	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.0
57.03050	1.3
57.03321	17.5
59.01255	5.1
68.99684	1.2
69.66832	4.2
71.01244	5.5
72.99172	1.5
73.02806	2.4
73.13865	0.6
75.00732	1.8
82.19407	0.7
83.01260	8.1
83.11168	0.7
84.02037	2.2
85.02820	100.0
86.03149	2.3
88.01566	0.7
89.02295	0.8
99.00735	0.9
101.02322	4.7
110.86768	0.7
111.00759	27.3
117.03355	1.2
129.01826	41.5
130.02196	0.7
134.03642	9.7
134.42795	0.7
149.05959	1.1
160.01540	1.0
161.04428	3.1
178.02670	0.7
187.02386	1.2
193.04958	7.5
205.03467	23.8
206.03789	1.3
207.58733	0.7
223.04527	20.4
224.04796	0.9
399.09335	0.7
407.23901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.1
57.03302	2.0
59.01248	100.0
60.01585	1.2
71.01250	28.0
71.53118	1.4
71.53496	1.0
72.99162	2.4
73.02447	1.6
73.02820	21.2
80.02538	11.1
83.01260	7.2
83.04888	1.9
85.02442	0.9
85.02828	11.2
87.00742	2.3
89.02319	10.9
93.03326	3.9
93.94404	1.0
95.01242	1.4
99.00726	2.1
101.02322	23.9
102.98502	1.0
108.02048	46.8
109.02808	3.5
111.00731	2.3
113.02335	8.2
119.03379	3.8
119.04906	1.1
121.02844	9.0
125.02335	1.3
129.01857	1.4
131.03331	1.4
134.03613	3.6
135.00742	1.1
135.04361	1.6
136.01485	1.3
137.02376	5.9
137.03267	1.4
143.03372	2.3
147.02870	1.3
149.04442	0.9
151.03922	1.2
151.07523	2.1
152.01059	75.3
153.01543	2.4
153.05484	1.3
161.04436	4.2
175.07544	11.5
177.05476	3.0
177.09059	1.6
179.03430	5.1
191.01813	2.2
193.04974	2.4
194.05602	1.1
195.06493	2.3
195.10205	1.1
209.04462	1.3
219.06563	3.5
223.04471	2.1
239.05554	4.5
251.11295	3.5
257.70670	1.1
279.10928	1.2
350.81500	1.2
399.12842	43.4
400.13211	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	399.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	3.5
56.42641	1.3
57.03094	1.3
57.03321	17.8
59.01243	17.7
67.01701	1.2
71.00407	1.8
71.00764	2.0
71.01243	14.3
72.99174	3.2
73.02821	2.3
74.41986	1.3
75.00735	3.1
83.01270	9.8
84.02033	2.0
85.02817	100.0
85.14228	1.2
86.03162	2.0
87.00723	2.6
89.02296	5.1
95.46010	1.2
101.02307	10.6
103.03880	9.4
108.04438	12.4
111.00760	35.7
113.02332	1.7
119.03392	2.5
121.02787	1.5
125.55155	1.3
129.01817	40.1
131.03351	1.4
134.03624	11.5
136.01631	2.4
137.05894	2.3
138.05508	3.1
147.02853	3.6
151.03835	3.7
152.02274	1.5
152.03435	18.9
161.04451	4.1
164.03363	2.0
166.04979	11.1
175.11162	3.7
187.02364	2.9
193.04985	6.9
194.04486	4.9
201.09106	2.7
205.03453	38.8
206.03783	2.1
211.05974	4.3
219.10223	3.2
223.04517	99.5
224.04858	3.9
269.04572	2.9
305.08780	1.3
340.13937	1.7
349.50613	1.4
399.16751	2.8
400.12485	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	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.6
55.57947	0.6
57.03053	1.0
57.03322	16.2
59.01255	3.0
64.93285	0.5
67.01768	1.0
67.52725	0.5
69.85453	2.8
71.01244	6.0
72.99192	1.7
73.02813	1.9
75.00740	1.5
75.71008	0.5
77.70726	0.6
83.01255	6.9
84.02034	2.3
85.02818	100.0
86.03159	1.7
87.00746	0.8
87.33015	0.5
99.00729	1.2
101.02314	4.9
103.03873	0.6
107.18361	0.5
111.00758	28.1
112.01060	0.8
113.32667	0.5
117.03345	1.0
125.02321	0.8
129.01826	37.4
130.02153	1.3
133.76985	0.5
134.03633	10.9
143.03426	0.6
149.05984	0.6
159.02937	0.9
161.04457	2.4
173.00858	0.7
175.03993	0.5
178.02611	0.8
179.05460	0.8
187.02400	1.3
191.01944	0.6
193.04991	8.0
205.03461	27.4
206.03845	0.9
218.47447	0.6
223.04517	22.2
224.04872	0.6
250.50572	0.5
278.52884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.4
57.03319	12.2
59.01250	13.6
67.01729	1.3
71.01254	8.1
71.38808	1.6
72.99175	1.9
73.02802	2.2
75.00738	3.0
83.01250	6.8
84.02044	1.4
85.02817	73.7
86.03178	1.1
87.00742	2.7
89.02303	1.5
93.03327	2.6
99.00764	1.3
99.99846	0.8
101.02336	6.6
103.00262	2.2
103.03869	1.9
104.73301	0.9
105.01748	1.1
111.00762	29.5
112.01074	1.3
113.02299	1.5
121.02846	2.6
123.04402	1.6
127.00112	1.0
127.15164	0.9
129.01819	30.6
134.03632	9.9
135.04401	2.9
137.05951	1.5
139.89323	1.0
147.02878	2.9
149.02280	1.2
149.05968	3.5
150.03085	1.3
151.03917	1.3
152.01057	1.4
161.04459	3.1
161.05946	5.1
164.04607	1.2
165.05453	5.9
169.18684	0.9
173.04443	2.5
177.03951	1.5
177.05391	2.3
182.95599	1.1
187.02335	1.4
190.02541	1.2
193.04984	4.5
194.09280	0.9
205.03452	33.9
214.03828	0.9
223.04520	100.0
224.04851	2.4
235.09602	1.3
237.11226	6.1
253.10822	7.3
265.09369	1.1
269.04532	3.6
297.09689	2.5
399.12244	2.3
399.16974	6.1
400.17249	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	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89817	0.7
55.01752	3.2
56.86941	0.6
57.03321	17.6
59.01254	5.0
62.20913	0.7
68.99709	0.9
70.12015	3.1
71.01252	7.3
72.99155	3.3
73.02828	2.7
75.00749	2.3
77.93179	0.6
78.08998	0.6
81.03332	1.8
83.01254	9.8
84.02039	2.3
85.02821	100.0
86.03154	1.4
87.00733	1.5
89.02307	1.5
99.00751	3.5
99.03491	0.7
101.02318	6.0
103.03876	1.5
111.00763	27.8
112.80867	0.8
117.03362	1.2
119.04917	0.7
121.02913	1.1
125.02348	6.6
129.01825	41.4
131.03418	1.2
134.03638	11.5
135.82942	0.7
143.03419	1.7
147.02873	1.2
149.05946	1.5
151.03926	1.6
152.03412	1.5
160.01697	1.2
161.04425	2.5
174.14090	0.7
175.03885	1.3
178.02571	1.5
187.02332	1.3
191.01915	1.3
193.04997	6.4
195.06445	0.9
205.03470	31.7
206.03926	1.2
211.06082	1.1
212.16914	0.7
215.94081	0.7
223.04530	26.5
228.40691	0.7
253.42906	0.7
255.35733	0.7
266.62082	0.8
267.55652	0.8
399.08667	0.9
400.12451	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	398.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09733	0.6
57.46387	0.6
59.01246	100.0
60.01595	0.8
61.98696	2.4
65.65932	0.6
69.40453	5.9
71.01256	0.8
98.20172	3.1
107.49704	0.6
116.05802	0.6
142.81427	0.6
144.07697	1.5
175.03947	1.1
220.61018	0.8
221.82899	0.6
235.08763	0.8
244.04871	0.7
263.09235	1.1
398.14142	0.9
398.27057	0.7
399.22275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07394	1.2
55.01754	2.8
57.03320	17.5
59.01250	14.1
62.19191	1.2
67.01747	2.5
71.01242	7.8
71.18919	1.7
72.19196	1.3
72.99180	3.2
73.02822	2.5
75.00738	2.3
76.42525	1.2
83.01250	7.8
84.30114	1.4
84.59892	1.2
85.02820	100.0
93.42015	1.3
101.02316	5.8
111.00758	29.2
117.03395	1.6
129.00876	2.5
129.01831	41.2
134.03630	14.7
136.01558	13.7
137.02274	1.4
149.05977	3.5
151.03908	30.3
152.04253	2.2
161.04486	3.5
162.49493	1.2
187.02338	2.2
187.74939	1.3
193.05025	8.4
205.03458	20.1
207.39397	1.5
211.06070	24.4
223.04546	13.1
267.64349	1.5
269.04315	1.7
273.40820	1.3
337.04803	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78600	9.0
53.30806	7.4
59.01244	100.0
68.97749	8.9
69.93137	21.3
69.93556	26.0
71.01247	9.0
74.14115	9.9
85.87727	7.6
91.70833	8.1
93.95510	8.9
98.19930	10.0
111.60614	8.6
134.92227	7.8
162.04427	8.3
176.61404	8.5
187.41139	8.0
201.15822	8.9
335.20007	13.7
407.45129	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	398.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99203	4.0
58.09033	4.8
58.38706	4.6
58.43436	3.5
59.01248	5.5
60.04632	3.6
61.98705	100.0
62.47534	3.4
69.51978	5.8
69.52387	20.2
90.49305	3.6
100.14847	3.6
104.21723	3.3
182.09644	8.0
183.09973	4.8
198.09164	6.4
199.09520	8.6
295.71460	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	398.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04771	2.4
60.24527	2.6
61.98695	100.0
63.61418	2.7
69.95817	10.2
78.43837	2.5
87.95434	2.6
90.01952	2.6
98.20496	3.4
109.68973	2.8
117.47718	2.5
121.61617	2.5
259.04147	2.6
303.59885	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	397.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32683	1.5
56.92378	1.7
59.01247	6.3
61.85884	1.6
71.01252	2.3
73.66559	2.3
85.28355	1.5
101.02304	1.9
103.84820	1.8
122.75849	1.8
134.04547	1.7
171.04341	2.6
174.03094	3.2
186.03023	3.4
187.03897	5.9
198.09277	2.4
199.03897	6.9
201.05424	3.5
213.09222	3.5
214.02591	2.5
227.07085	5.5
239.62340	1.7
241.08659	19.9
242.09419	37.7
243.09872	3.3
267.63046	1.8
269.08173	100.0
270.08478	7.9
274.08441	75.2
275.08780	6.5
285.11383	2.6
300.52689	1.8
311.16470	7.0
328.13147	89.8
329.13486	7.9
344.97147	1.8
397.20108	60.1
398.20413	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	397.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33710	0.7
54.48503	0.9
55.01756	9.7
55.16326	0.8
57.03321	8.4
58.00465	2.4
59.01249	71.3
69.03316	1.6
71.01250	100.0
71.39767	1.9
72.01595	1.7
72.99165	5.3
73.02818	26.7
75.00746	1.8
81.03318	1.7
83.01251	15.5
83.04900	2.1
84.02055	1.2
85.02822	47.9
85.99965	1.5
87.00748	5.4
89.02312	53.9
90.02635	1.2
90.17744	0.9
95.01247	8.6
97.02862	1.7
99.00748	10.1
99.04400	3.2
101.02319	67.5
102.02605	0.9
103.03893	0.8
111.00812	1.6
113.02325	55.6
115.03902	0.7
119.03392	23.5
121.02837	23.7
121.03680	1.2
122.03275	0.9
123.04398	1.2
125.02316	2.2
131.03352	3.7
142.64014	0.8
143.03401	8.6
149.04442	2.0
159.02896	3.5
161.04463	19.2
165.12802	1.0
178.06064	0.8
179.05527	24.1
191.10654	0.9
193.08577	1.5
235.16997	2.2
397.15033	26.6
397.22366	1.8
398.15134	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	396.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08071	4.0
59.01248	100.0
60.01579	15.8
61.01676	27.8
64.30623	3.6
69.66338	6.0
69.66755	17.7
75.80810	4.3
83.39536	4.3
88.57478	4.0
96.95896	9.0
98.19856	8.4
116.41197	3.6
150.88757	3.9
196.46864	4.0
216.86089	3.9
237.65202	4.1
307.80640	4.5
318.24222	4.3
388.36017	4.4
397.22742	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	397.1136
Annotation	Picraquassioside A
Peak:m/z	Relative Intensity
59.01255	3.2
66.26977	0.5
69.54435	3.5
71.01244	0.6
85.02814	0.8
91.27200	0.5
106.19508	0.5
108.02040	2.6
109.02802	2.3
121.02861	0.6
128.81133	0.5
149.02434	0.5
161.02336	8.0
163.07549	1.3
164.04675	0.6
174.03145	1.0
176.04700	38.6
177.05074	1.9
189.05545	0.7
191.07056	38.5
192.07401	1.5
193.04950	0.7
193.08640	1.2
201.01834	3.3
202.02646	0.6
217.05000	8.0
218.05284	0.6
223.06000	0.6
235.06067	100.0
236.06369	5.4
258.63577	0.5
299.97327	0.5
338.19775	0.5
397.11121	3.3
398.11606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.5
59.01250	3.4
60.99166	0.7
65.03854	0.3
67.01754	4.0
68.99688	0.2
69.03326	0.8
71.01261	3.4
72.99181	0.3
73.02835	0.5
81.03324	0.8
81.51797	0.3
83.01250	0.5
83.04890	0.7
85.02810	4.5
87.00745	1.2
93.03331	25.1
94.03666	0.9
95.01270	0.4
96.95872	0.3
99.00780	0.3
101.02324	0.7
108.02023	0.6
109.02837	0.9
111.00765	1.3
111.04401	4.7
113.02345	0.5
117.03374	0.3
119.04876	0.4
121.02842	3.0
122.03616	0.7
123.04431	0.3
127.03879	0.6
129.01816	0.4
134.03619	0.6
135.04472	0.3
137.02338	5.6
138.02614	0.3
146.08203	0.3
147.02881	1.1
147.04465	1.5
149.02339	14.5
150.02715	0.5
152.01007	0.3
155.03407	4.3
163.03940	0.4
164.04692	10.1
165.05049	0.4
173.04463	100.0
174.04776	3.9
179.07054	0.9
188.06995	0.6
190.02541	0.6
191.01854	1.4
191.05519	2.1
191.10696	1.9
193.01241	0.3
193.05020	0.4
193.08563	0.3
205.05072	0.7
208.03700	0.4
223.06056	15.4
224.06433	1.2
235.09691	1.9
353.08997	0.3
397.10843	2.0
398.11301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01481	3.6
59.01248	100.0
62.41264	3.4
71.42145	8.2
72.31014	3.3
136.48866	4.0
226.47859	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	395.28
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01585	0.8
98.19662	1.2
229.08495	0.8
276.43011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98399	4.1
58.87185	4.4
59.01246	66.6
61.98701	100.0
68.53240	4.9
71.01249	13.3
72.00743	4.9
72.99178	5.5
85.02837	25.1
89.02331	8.0
101.02353	10.3
113.02274	9.1
131.58490	4.7
147.04428	7.9
161.04553	4.3
163.05975	6.5
164.07056	15.4
175.03969	6.1
188.07082	53.9
189.07393	5.1
217.08592	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	395.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08781	0.7
55.17627	0.8
59.01240	4.2
61.98704	5.8
71.00871	1.3
71.01218	0.9
73.02823	2.8
93.03351	0.9
94.52762	0.6
107.04900	0.8
117.06988	1.8
119.04922	5.8
131.08572	0.7
133.06468	1.3
135.04396	19.0
146.03619	0.9
147.04341	0.8
147.08075	1.0
148.05190	2.3
149.05989	3.2
157.06496	1.2
159.08067	3.3
160.05193	0.8
161.05980	100.0
162.06314	6.1
173.06000	1.0
174.03239	0.7
174.06778	0.9
175.03928	18.1
175.07559	7.4
176.04643	1.6
176.08276	1.1
177.05487	8.8
185.05988	2.0
187.07555	1.2
188.04710	3.1
189.09099	5.5
191.07011	1.2
201.09068	4.6
203.07062	79.7
204.07343	3.5
208.03723	1.3
213.09183	10.7
215.10667	1.5
217.05077	1.5
217.08636	6.1
219.10199	6.5
220.10657	0.7
221.08275	1.1
227.10635	0.9
231.10252	3.9
233.11763	2.6
235.06006	1.2
245.11607	1.7
255.10233	3.4
261.11292	25.4
261.14807	2.0
262.11703	1.6
263.12881	14.1
264.13159	1.3
271.13467	1.1
277.10788	1.4
279.12360	1.8
287.13049	1.2
293.10278	2.3
305.10452	1.6
305.13821	10.7
313.14209	0.9
333.16956	1.2
337.16644	6.2
345.17001	1.4
363.18085	32.1
363.21643	1.4
364.18579	4.2
381.19247	2.2
395.20691	51.2
396.10266	0.8
396.21078	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	394.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82060	2.9
59.01249	100.0
59.46096	3.0
60.01582	25.0
61.01674	26.7
83.66654	3.7
98.19780	6.8
101.22913	2.6
177.86667	3.0
179.17470	2.7
194.77161	2.8
252.27403	3.2
316.22467	3.3
345.24387	5.9
363.25153	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	395.1344
Annotation	Hirsutolide
Peak:m/z	Relative Intensity
57.03323	4.3
59.00963	0.9
59.01252	16.1
61.98685	1.0
62.68130	0.9
71.01248	11.2
72.48251	0.9
72.99171	2.0
73.02814	1.5
81.31889	0.8
83.01254	1.8
84.48494	0.9
85.02821	27.3
87.00739	1.9
89.02323	1.3
95.95905	0.8
99.04365	1.0
101.02309	1.6
103.03887	43.8
115.05410	2.4
121.02849	1.6
128.72000	0.8
131.04924	5.2
133.06476	3.7
145.04942	1.5
145.06493	1.8
147.04410	86.2
148.04727	3.9
161.05981	55.7
162.06339	3.5
189.05495	13.6
194.45749	0.9
243.06442	1.0
247.08176	1.8
259.57541	0.9
395.13425	100.0
396.13818	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	395.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67439	0.8
55.01753	1.8
57.03321	1.6
58.00467	0.8
59.01249	100.0
59.05764	0.8
60.01582	1.4
70.30939	3.0
71.01252	29.7
72.01572	1.0
73.02817	11.6
75.00737	1.2
83.01261	5.7
85.02821	14.8
85.60028	0.8
86.03215	0.7
87.00727	1.9
89.02328	9.8
92.59447	0.8
95.01259	2.2
97.02840	1.1
99.00735	5.7
101.02319	27.0
101.29446	0.8
111.00687	0.9
113.02319	15.0
117.05456	2.7
119.03363	1.7
131.03406	1.9
137.81880	0.8
138.82930	0.8
143.03412	1.5
159.02887	1.4
159.06503	0.8
161.04472	6.5
199.68304	0.9
221.10260	28.3
222.10602	2.2
263.11343	3.3
293.08936	1.5
295.10117	1.1
339.97110	0.9
353.14502	12.8
388.19824	1.0
395.15131	8.0
395.19788	1.8
398.88077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82719	0.9
59.01247	100.0
63.42826	1.0
73.08888	0.8
106.59612	1.0
354.13586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77347	73.8
67.39634	72.6
73.23071	70.5
74.35913	67.4
74.81596	71.9
78.67846	76.4
82.42255	82.9
84.47950	75.4
98.43143	85.2
127.38471	89.6
285.55734	100.0
330.06512	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61495	0.5
57.31362	0.6
59.01248	100.0
60.01587	1.5
69.78277	2.4
69.78687	0.9
71.01258	1.7
73.02828	0.9
79.47892	0.6
98.20486	1.1
101.02339	0.7
123.34018	0.6
190.05046	1.2
203.05571	1.5
250.58763	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02689	1.1
57.03313	2.5
59.01248	55.9
61.98700	11.1
69.21431	10.7
71.01239	1.1
71.92948	1.2
78.95788	1.1
83.04896	1.2
93.03313	1.3
96.95887	1.4
98.20450	3.6
99.08047	1.3
109.06458	1.3
113.09583	2.3
121.95133	1.1
125.09626	1.5
129.09065	2.6
137.61652	1.0
139.11185	10.5
141.09132	1.3
147.11670	3.6
148.83281	1.0
163.11180	1.3
165.12721	4.0
167.10512	1.1
169.12244	3.1
171.10188	8.5
172.22607	1.0
181.12216	3.9
183.13785	2.3
185.11760	2.4
191.10721	1.7
193.08380	15.1
193.12173	3.9
194.08701	1.6
194.12566	1.2
196.64723	1.2
197.11699	10.0
199.13321	4.1
201.11241	1.3
207.10057	1.4
211.13327	14.0
215.10541	6.2
216.07872	1.0
219.09909	1.9
231.09987	1.2
233.11536	78.5
234.11905	5.0
246.24860	1.1
251.11278	7.1
253.09219	1.9
275.20090	2.0
279.10794	1.3
293.12512	8.7
293.21222	16.1
294.12631	1.5
311.22256	100.0
312.22568	8.3
315.19345	4.0
333.20200	4.4
377.19327	1.7
393.22296	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	392.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19773	0.3
59.01247	3.1
61.98699	100.0
148.41228	0.2
161.97101	0.3
191.95372	0.2
200.75960	0.2
209.11832	0.5
221.11208	0.3
233.93597	0.2
244.18208	0.3
250.05066	0.4
252.63918	0.3
289.18140	0.4
392.16617	2.1
393.09906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34431	0.6
55.01737	2.1
57.03321	5.3
58.00473	1.3
59.01250	22.3
68.73681	0.7
69.03323	11.6
70.45268	0.7
71.01253	15.6
71.04876	2.5
72.99153	1.7
73.02789	1.7
83.01231	0.8
83.04882	1.2
85.02818	27.2
87.00773	2.1
87.04385	1.1
89.02305	5.4
97.02834	8.3
97.06499	0.7
99.00744	1.8
99.04424	1.5
101.02300	5.3
103.03886	46.8
107.28732	0.9
109.02835	4.1
111.04388	3.0
113.02325	77.8
114.02638	1.1
115.03894	0.9
117.05443	1.2
119.03371	2.2
119.24976	0.7
121.51116	0.9
127.03899	55.9
137.02313	1.5
145.04965	34.4
155.03427	4.7
161.04518	1.1
169.04964	4.9
171.06488	1.5
185.04402	2.6
187.06047	1.0
187.80562	0.8
203.01631	0.8
212.20084	0.7
215.05551	1.3
247.08167	3.3
259.48181	0.8
265.09274	9.8
348.45233	0.8
354.24210	0.7
393.13992	100.0
394.14285	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	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	56.5
61.98677	1.6
69.03316	1.8
71.01234	2.4
71.04876	2.3
71.53230	1.9
73.02817	1.4
79.95568	1.7
89.02332	1.7
97.06475	1.5
99.92484	2.4
101.02327	1.4
107.26923	1.1
109.06418	1.2
111.08039	16.8
113.02337	1.3
125.09634	1.8
137.09575	2.0
147.11678	4.9
151.11256	1.1
153.12697	1.4
161.04488	1.2
165.12793	5.6
169.12274	6.0
171.10162	4.5
175.34065	1.1
191.10443	1.2
197.11755	65.8
198.12131	3.1
199.13379	3.3
207.01544	1.1
211.13345	5.5
215.10385	8.4
219.09958	4.6
233.11542	100.0
234.11923	5.9
237.09695	1.8
249.13226	1.8
251.11377	6.7
251.16325	2.0
263.20029	2.5
265.17941	2.0
279.10782	2.1
281.20563	1.1
291.19653	13.7
292.20178	2.1
293.12448	16.2
294.12701	2.6
309.20697	47.5
310.21008	4.9
313.17764	1.9
331.18777	8.9
345.82388	1.2
391.20950	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	392.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	14.8
61.98700	100.0
70.20430	1.7
70.20812	1.7
95.04984	0.9
98.20438	1.7
99.92466	4.1
133.18997	0.9
137.09610	1.0
171.10175	3.3
172.10464	1.4
178.17892	0.9
189.01820	11.1
190.02541	1.6
194.08723	1.1
207.09975	2.6
208.10297	2.5
227.13008	0.9
260.06857	4.9
270.00534	0.9
310.20978	4.3
314.18134	2.8
329.13876	4.1
349.10617	1.1
349.27734	0.9
374.18512	1.1
392.20078	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87916	0.5
57.03331	1.0
59.01250	100.0
60.01574	1.8
69.22128	1.0
69.22531	4.6
71.01256	9.0
71.01624	0.9
73.01680	0.6
73.02819	2.1
83.01284	0.9
85.02832	4.5
87.00768	0.9
89.02315	5.7
93.03355	1.3
95.01263	0.8
99.00741	0.7
101.02323	7.7
103.03892	0.8
108.02065	2.0
109.02866	2.2
113.02312	4.9
119.01661	0.8
119.03414	2.4
137.02385	2.5
143.03458	0.6
161.04489	3.4
179.05502	0.9
199.58685	0.6
229.05110	0.7
281.06760	2.1
303.16312	0.8
305.15988	0.7
307.53806	0.6
331.17825	1.6
391.10425	2.2
391.18848	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	391.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	57.9
61.98701	1.8
69.79373	2.7
69.79779	7.0
71.01255	3.4
73.40635	1.5
83.04895	2.9
88.07393	1.6
93.03343	1.5
95.04900	1.9
97.06449	2.2
98.19900	3.0
99.92484	4.1
104.80408	1.6
109.06464	1.7
111.08041	38.7
117.03357	3.2
127.07518	2.0
147.11746	2.4
151.11185	5.4
155.83778	1.7
163.11151	2.2
165.12772	5.4
167.10684	1.7
167.66676	1.8
169.12305	7.8
187.30681	1.9
191.10574	2.0
197.11761	100.0
198.12070	4.3
199.13283	3.9
211.13370	9.4
215.10522	3.9
217.00261	2.1
219.09961	90.0
220.10204	5.1
223.11662	2.1
227.12770	2.6
233.09489	2.8
233.11580	36.9
234.11888	3.6
249.09818	2.7
249.13380	10.3
251.11359	23.3
252.11383	2.7
263.20096	5.1
269.04532	5.7
279.10840	4.6
287.16187	3.3
291.19650	19.2
293.04602	12.7
293.12457	34.9
294.12622	6.9
305.04550	2.4
309.20694	80.4
310.20996	7.0
313.18073	1.7
323.05850	3.6
331.18896	31.9
332.19128	4.6
373.10767	2.8
375.17877	4.0
391.11926	41.1
391.19687	28.9
392.12036	4.7
392.20358	5.6
403.53784	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.8
57.03319	1.4
58.00467	0.7
59.01249	100.0
60.01598	1.1
64.35700	0.2
69.03333	0.6
69.34979	0.2
71.01252	20.7
71.04889	0.3
71.23600	0.3
71.23953	0.3
72.01598	0.2
72.99187	0.8
73.02818	10.3
74.03131	0.3
75.00751	0.3
79.27249	0.2
81.06969	0.3
83.01255	3.6
85.02819	6.7
87.00743	1.1
87.04382	1.3
89.01758	0.5
89.02313	9.2
90.02668	0.3
95.01256	1.8
97.02847	0.4
99.00774	1.3
101.02319	12.2
102.02666	0.4
113.02328	11.0
113.05947	0.3
114.02655	0.3
115.07590	0.4
119.03386	3.7
125.02327	0.4
131.03387	0.6
143.03371	1.1
149.04463	0.6
159.02910	0.3
161.04468	4.8
162.04829	0.3
179.05579	0.8
187.13335	6.3
188.13727	0.4
331.17645	5.5
332.18039	0.5
349.18652	8.8
350.19168	0.9
391.20001	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35687	0.6
55.01757	1.1
57.03297	1.4
58.00472	1.8
59.01250	100.0
60.01596	1.0
68.47216	0.7
69.03335	1.2
71.01251	52.0
71.53230	1.3
72.01581	1.4
72.99186	2.5
73.02818	44.8
74.03187	0.8
74.30573	0.7
76.54285	0.7
79.95581	0.8
83.01260	11.3
85.02819	8.2
87.00769	2.9
89.02321	17.6
95.01269	2.4
96.86494	0.7
97.02866	0.9
101.02320	43.6
102.02702	1.2
102.98483	4.2
107.04891	1.2
108.43604	0.8
113.02335	14.1
119.03391	8.3
119.04935	0.8
125.02310	1.8
129.09172	0.8
131.03406	2.4
141.12749	1.9
143.03426	2.5
149.04390	1.5
161.04462	6.2
169.12263	20.2
169.13658	1.4
170.12500	1.1
187.13316	8.1
227.11153	1.0
269.04437	1.7
307.26855	0.8
331.17673	13.1
349.18646	49.2
350.19073	4.3
391.19742	54.9
392.20029	6.9
400.43753	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37471	0.4
59.01249	100.0
60.01582	0.9
63.06865	0.4
82.60704	0.5
85.19209	0.5
154.43205	0.4
229.08662	3.0
229.12593	0.6
290.07211	0.5
372.22382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13638	0.6
54.87053	0.7
59.01249	100.0
60.01588	0.6
114.78765	0.6
122.47383	0.7
153.19987	0.6
380.70239	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.3
57.03315	2.0
58.00479	0.8
58.34076	0.5
59.01247	100.0
60.01577	1.2
64.79468	0.4
69.03331	0.8
69.19026	0.9
69.19434	4.2
71.01248	37.1
72.01581	0.5
72.99173	1.3
73.02811	16.8
74.34829	0.5
75.00756	1.3
81.03331	0.7
83.01254	5.6
85.02818	13.6
85.33510	0.4
85.99979	0.5
87.00745	9.8
87.01273	0.7
87.04405	0.8
89.02309	11.7
89.02831	0.8
93.03362	0.8
93.72516	0.5
95.01263	2.7
96.01563	0.5
97.02851	2.1
99.00758	2.9
99.04476	0.6
101.02314	26.8
102.02617	0.5
103.00262	0.6
103.03889	0.6
108.02069	0.9
111.00767	1.6
113.02330	12.1
115.03876	0.5
115.07556	0.6
119.03389	4.2
119.04951	0.9
125.02360	1.3
127.11198	0.7
129.01805	0.6
131.03378	0.8
138.14159	0.5
141.01895	0.5
141.09105	17.6
142.09406	0.9
143.03412	2.2
143.10681	4.2
145.04942	0.6
149.02354	0.9
151.00319	1.0
152.01059	1.0
153.12782	2.1
159.02933	2.0
161.04453	13.4
162.04735	0.6
167.10736	1.2
169.12300	1.2
185.11880	0.5
187.09718	0.5
187.13388	1.5
190.02710	0.9
205.05139	0.6
259.15540	1.3
268.03772	0.6
269.04523	1.1
271.06168	0.9
301.16699	1.2
313.89023	0.5
331.17664	8.1
332.18231	0.8
349.18616	29.2
350.18954	3.2
390.60968	1.0
391.10648	0.7
391.19745	3.4
392.11465	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	391.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.8
59.01248	18.3
65.00193	3.5
69.03321	2.2
71.01240	4.3
71.52397	0.7
73.02817	1.5
75.98231	0.5
77.03831	1.0
79.01762	1.8
81.03327	5.1
83.01241	5.2
85.02787	2.4
87.00730	0.6
89.02306	0.9
93.03316	1.4
95.01253	2.5
97.02832	9.1
101.02350	2.5
101.03862	0.7
104.62602	0.4
105.03284	0.5
107.01271	4.2
109.02836	0.9
111.00718	0.5
113.02328	2.8
119.04916	9.3
121.02850	8.1
122.74354	0.5
123.00767	1.2
123.04397	0.6
125.02330	21.7
126.02657	0.7
135.00778	0.8
137.02321	2.4
141.07002	1.7
143.04947	5.6
144.05315	0.6
145.02852	17.0
146.03242	0.6
149.02345	2.1
151.00253	6.0
155.03395	1.5
155.08583	4.0
157.06485	4.0
161.04536	1.1
161.05974	3.4
163.00291	2.6
165.01866	3.9
169.06480	0.6
171.08092	1.0
173.06027	0.6
175.07574	0.8
177.01880	0.8
181.06442	0.8
183.08089	1.5
184.05191	2.8
185.06000	10.8
186.06332	0.5
187.03934	1.8
193.01355	4.2
197.06006	1.0
199.07581	9.9
201.05513	1.2
203.07013	3.2
209.06068	0.9
213.05553	1.2
225.05505	0.6
227.07079	5.5
229.04990	19.3
230.05312	1.2
239.07146	1.1
241.05014	7.4
242.05524	0.6
243.06541	3.8
255.06554	2.8
268.03735	1.0
271.06104	100.0
272.06433	8.0
283.06070	3.3
301.07166	23.8
302.07367	2.2
313.07217	1.3
331.17740	0.8
364.13751	0.6
373.09009	0.6
374.09927	0.5
391.10370	10.7
391.18625	0.9
391.23703	0.5
392.10507	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53551	33.5
55.05416	34.1
59.01236	100.0
71.01241	34.0
71.23383	82.7
80.96416	55.7
83.21433	31.8
83.21936	33.3
127.30504	36.7
131.83846	37.6
152.99484	45.2
157.40659	44.3
168.05074	39.6
375.69666	39.9
390.19897	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
69.67665	12.6
69.68095	14.7
77.41633	3.8
80.96375	6.8
80.96941	3.5
95.25541	4.2
98.19796	4.6
106.38141	5.0
123.51275	4.2
152.23053	4.6
152.99579	4.3
255.23233	6.8
389.18634	5.2
389.69229	5.6
391.01791	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85287	4.8
52.83902	4.3
59.01244	100.0
67.60023	6.6
71.07661	8.2
96.51118	5.1
117.16978	5.0
119.13388	5.2
137.48573	5.2
158.50189	5.4
202.17584	5.3
356.07867	5.8
406.70291	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	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	36.3
61.98700	100.0
69.40513	33.0
79.95648	3.7
88.35464	4.0
98.20592	7.7
99.98109	3.5
182.60815	3.9
254.80005	4.3
363.58902	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	389.2179
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
52.03965	0.7
55.01759	5.5
57.03318	4.9
58.00478	3.6
59.01248	96.0
69.03333	1.0
69.64473	5.1
71.01249	100.0
72.01601	1.6
72.99170	5.3
73.02813	33.0
75.00750	1.5
81.03319	1.0
83.01250	15.8
85.02816	42.8
85.99910	0.7
87.00748	6.5
89.01751	1.7
89.02309	30.0
90.02627	1.1
93.03321	1.7
95.01264	9.6
97.02823	3.1
97.06484	0.7
99.00754	13.8
99.04391	1.0
101.02317	87.9
102.02649	1.3
103.03885	1.3
109.02805	0.8
111.00760	3.0
112.13003	0.8
113.02325	44.0
114.02700	1.0
118.07187	0.7
119.03378	9.9
119.04886	2.1
121.02819	1.2
125.02344	2.7
129.01845	2.1
131.03374	2.0
137.02339	1.1
139.00284	0.9
143.03381	6.5
144.19208	0.8
159.02892	8.9
161.04454	52.2
162.04817	1.4
162.65601	0.8
163.03894	1.2
167.10669	1.6
167.14369	1.0
176.24986	0.7
179.05551	2.2
185.11777	2.3
205.03416	1.9
213.06769	0.7
224.05568	0.8
225.14972	5.6
226.15179	1.1
227.16438	12.2
228.16782	0.8
265.09360	1.3
271.15421	3.6
280.08508	2.4
283.09131	1.0
287.18713	0.9
295.10828	5.9
299.18649	1.3
313.12088	2.8
327.13522	1.5
329.16162	1.9
339.09756	2.0
347.17099	5.3
357.10931	2.1
389.11871	8.5
389.21860	35.8
390.22089	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	389.2182
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
55.01755	6.3
57.03323	6.0
58.00465	2.8
59.01247	71.1
60.01586	1.3
68.99681	0.4
69.03323	1.0
69.24094	3.9
71.01250	100.0
71.04887	0.7
72.01585	1.7
72.99171	5.2
73.02814	33.8
74.03162	0.6
75.00372	0.4
75.00727	2.1
77.28453	0.4
78.71686	0.3
81.03337	0.5
83.01254	16.8
83.04903	0.9
84.02057	0.5
85.02818	43.2
86.00018	0.4
86.03168	0.8
87.00745	6.0
87.04405	0.5
89.02311	23.1
91.05389	0.4
95.01257	7.7
97.02822	2.5
97.06464	0.6
98.19825	0.6
99.00753	14.1
99.04421	0.5
99.62378	0.4
101.02316	93.7
102.02655	2.1
103.03882	0.7
107.04902	0.4
109.02802	0.4
111.00766	1.3
113.02324	43.0
114.02666	1.3
115.03876	0.5
115.08625	0.4
119.03387	8.6
119.04879	0.5
120.94479	0.3
120.99506	0.6
121.02869	0.4
125.02350	2.2
129.01825	2.2
131.03398	1.3
137.09604	0.9
139.00259	0.8
143.03404	6.6
144.03778	0.4
149.04448	0.7
149.09572	0.6
151.11154	0.6
153.09082	0.3
159.02887	9.1
159.04240	0.5
161.04459	51.6
162.04793	2.1
163.11179	0.4
165.12753	0.9
167.10707	1.4
167.14307	1.0
170.53210	0.4
179.05489	2.0
185.11742	1.9
191.14404	0.9
195.13797	0.5
197.15384	0.6
204.00113	0.4
205.03473	2.7
209.11739	0.9
209.15370	0.7
218.17381	0.4
225.14911	7.4
226.15247	0.6
227.13078	0.5
227.16476	12.3
228.16960	0.7
271.15491	5.0
272.15860	0.5
287.18634	1.3
291.51974	0.4
299.18536	0.7
312.59717	0.4
321.47211	0.4
329.16061	1.5
347.17090	5.1
389.17636	2.0
389.21887	23.0
390.22223	2.5
406.11188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.9
57.03315	4.6
57.81728	1.8
57.90828	1.7
58.92962	1.8
59.01249	54.3
59.67273	1.7
60.47447	1.8
69.03316	1.9
69.88750	7.8
71.01267	2.8
80.02547	2.9
81.03321	6.1
83.01266	10.9
83.04879	5.4
85.02816	2.9
90.78324	1.8
95.04903	4.6
97.02837	4.5
97.06474	10.5
106.04092	1.9
113.02324	2.2
121.02823	5.0
121.06513	2.7
123.04410	10.1
123.08073	3.2
125.08877	1.9
125.09624	18.3
135.08022	5.0
137.05937	1.7
137.09605	7.9
149.05966	3.2
149.09608	2.8
163.07564	2.6
163.11192	18.3
165.09135	1.8
165.12724	6.1
167.10643	2.9
175.73148	2.0
179.10629	3.0
181.12309	3.6
185.11726	13.3
191.10638	4.3
191.14352	19.2
207.10191	13.8
209.11768	80.5
210.11975	2.1
219.06401	2.3
225.11314	9.1
226.11844	2.2
231.09978	59.8
232.10333	2.5
233.11589	5.4
245.19066	35.6
246.19206	2.7
249.11111	2.5
263.20184	2.8
271.16953	3.6
289.18088	100.0
290.18396	7.9
291.12109	4.2
291.19815	3.7
307.19131	58.6
308.19418	3.5
311.16019	2.0
317.17355	9.1
329.17291	14.1
330.17621	2.2
389.09946	1.8
389.19403	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	389.1816
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.51970	0.5
52.07272	0.4
57.03321	2.8
58.00454	0.5
59.01249	17.7
69.03345	0.6
69.43733	3.1
69.44146	0.8
71.01249	5.7
71.04871	0.7
72.99167	0.6
73.02817	2.0
83.01273	0.6
85.02819	2.4
87.00753	0.6
87.02622	1.2
87.04371	0.6
89.02306	3.9
95.01277	0.8
97.06432	0.5
98.19802	1.0
101.02320	3.2
105.01821	1.1
111.08050	1.9
113.02315	3.8
119.03389	1.2
139.11186	1.0
143.10678	0.8
146.03993	0.5
159.76039	0.5
161.04460	1.0
165.12750	20.7
166.13132	1.0
179.05530	1.2
183.13820	69.8
184.14172	4.0
194.59962	0.5
195.13826	0.5
197.09921	0.9
197.15407	1.7
201.14943	1.0
207.13867	2.5
209.11763	2.7
212.72163	0.6
225.14859	1.5
227.12827	100.0
228.13187	5.5
251.12816	4.1
259.13693	2.1
269.14029	2.4
283.22708	0.7
285.24368	0.9
301.23846	0.6
309.77179	0.5
328.40323	0.5
329.23370	3.8
347.20117	1.0
347.24365	19.9
348.24713	1.5
389.17722	1.7
389.25439	14.5
390.25543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94923	1.8
55.35921	1.7
57.03315	9.2
57.46509	1.9
59.01246	70.0
69.03325	2.9
70.02664	3.4
70.03075	6.7
71.01246	13.0
73.02805	2.1
75.16637	1.7
80.02529	2.8
83.04893	5.6
89.59591	1.9
95.04926	4.7
97.06466	19.3
98.20425	3.0
111.08017	7.9
123.04407	3.9
123.08020	2.1
125.09609	6.2
137.09612	3.4
151.11195	22.4
151.12329	3.1
153.09097	2.6
153.12772	3.1
155.10689	5.1
163.11198	7.3
165.12772	26.3
167.10718	5.0
169.12285	3.8
175.01431	4.2
177.12781	2.6
179.10683	12.4
181.10802	3.2
181.12256	38.9
182.12622	2.0
191.10706	16.7
191.14348	3.9
195.10144	2.4
197.11673	3.3
205.12173	2.9
209.11755	100.0
210.12086	6.3
211.13402	7.7
217.08472	4.4
217.15834	2.2
227.12926	3.5
227.17914	2.4
233.11565	15.2
245.19048	19.4
246.19363	2.6
248.10260	4.0
249.10930	2.3
263.12601	4.5
263.20142	7.3
268.94061	2.1
279.19681	3.1
285.18347	3.4
289.18100	26.6
290.18362	4.1
291.12198	2.2
307.15717	3.4
307.19131	49.0
308.19620	2.2
317.17371	8.3
320.36035	1.9
329.17349	15.4
389.19363	20.7
390.19577	3.0
390.23981	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.6
58.00462	0.5
59.01249	100.0
59.24399	0.5
60.01586	1.1
69.03349	0.7
69.55969	2.5
69.56388	1.0
71.01251	16.3
72.99184	1.7
73.02811	6.2
75.00761	1.2
82.24492	0.5
83.01250	2.5
83.88200	0.5
85.02814	4.6
87.00751	1.5
88.97137	0.5
89.02314	8.3
95.01267	1.0
97.06493	1.7
99.00750	0.5
101.02322	9.8
111.00781	1.2
113.02317	8.4
115.07550	2.7
119.03378	3.1
125.02309	0.7
143.03416	1.1
147.01251	0.5
161.04431	3.0
167.10706	0.6
177.05530	0.6
179.05560	1.4
185.04395	0.6
185.11783	1.3
209.11734	0.8
329.16165	1.6
343.19843	0.5
347.17102	1.8
365.20801	0.5
389.17706	1.5
402.67709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.3
57.03314	2.8
58.00479	1.1
59.01249	100.0
60.01588	1.2
69.03322	1.1
69.10339	0.5
69.46944	0.5
71.01250	30.4
71.52032	0.6
71.52454	0.8
72.01601	1.0
72.99171	1.8
73.02818	12.6
73.03200	1.0
74.98969	1.1
75.00751	0.6
76.18332	0.4
83.01255	4.7
83.04924	0.8
85.02824	10.9
87.00745	2.5
87.04392	0.6
89.02315	11.0
89.02838	0.9
92.91348	0.5
95.01288	2.0
97.02836	1.0
97.06472	6.5
99.00762	2.8
101.01638	1.0
101.02317	21.5
102.02689	0.7
102.98492	1.1
108.96929	0.5
109.02850	0.8
111.00799	1.5
111.04404	0.5
113.02328	12.6
113.03072	0.8
113.30487	0.5
114.02698	0.6
115.45075	0.5
119.03378	4.4
119.04926	0.6
120.99571	2.2
125.02378	0.9
126.12016	0.5
127.07542	2.2
129.01802	0.7
131.03423	0.9
137.09628	1.2
143.03442	1.8
149.09633	0.6
153.09119	0.9
159.02907	1.5
161.04460	10.4
167.10663	4.7
173.19518	0.5
179.05530	1.4
185.11761	4.4
189.95502	0.5
202.05151	0.7
213.14922	0.7
225.14952	1.4
226.15149	0.9
227.13045	0.6
227.16356	1.1
241.99429	0.5
247.08289	0.5
248.03935	0.5
258.51349	0.5
259.13943	0.9
329.16245	3.9
347.17084	8.9
347.20874	0.7
361.44611	0.5
389.17667	3.1
389.21860	2.9
389.26212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.254
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
58.00458	2.2
59.01253	12.7
60.99174	2.2
68.99680	1.2
70.01665	6.2
71.01238	9.0
72.02039	1.4
72.99178	15.3
73.02811	2.2
73.10854	1.1
83.04887	1.3
85.99985	6.9
87.00744	14.5
93.03326	4.7
95.02013	1.2
95.04904	8.2
97.06449	2.3
107.04902	2.1
109.06436	4.7
109.49278	1.2
109.99974	1.7
111.00798	1.6
111.04379	3.8
113.99468	100.0
114.99795	2.8
123.04381	2.3
138.03081	1.8
139.03865	3.8
154.06194	2.7
161.09575	1.2
164.04686	2.9
181.10358	1.3
186.08308	1.2
299.23706	8.3
301.25385	5.4
313.25162	1.9
315.26962	3.7
327.58023	1.3
329.25043	2.5
331.26346	12.9
341.24661	3.1
343.26279	1.8
357.24512	2.3
359.21558	2.3
359.25858	37.9
360.26309	3.7
369.24139	5.7
370.24530	1.6
387.25348	77.6
388.25781	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00957	7.1
59.01248	100.0
59.79485	5.3
62.83459	5.6
70.20065	26.9
71.98051	5.8
97.06435	7.0
111.10047	5.5
137.31996	6.4
265.03860	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	389.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.3
57.03314	2.8
58.00479	1.1
59.01249	100.0
60.01588	1.2
69.03322	1.1
69.10339	0.5
69.46944	0.5
71.01250	30.4
71.52032	0.6
71.52454	0.8
72.01601	1.0
72.99171	1.8
73.02818	12.6
73.03200	1.0
74.98969	1.1
75.00751	0.6
76.18332	0.4
83.01255	4.7
83.04924	0.8
85.02824	10.9
87.00745	2.5
87.04392	0.6
89.02315	11.0
89.02838	0.9
92.91348	0.5
95.01288	2.0
97.02836	1.0
97.06472	6.5
99.00762	2.8
101.01638	1.0
101.02317	21.5
102.02689	0.7
102.98492	1.1
108.96929	0.5
109.02850	0.8
111.00799	1.5
111.04404	0.5
113.02328	12.6
113.03072	0.8
113.30487	0.5
114.02698	0.6
115.45075	0.5
119.03378	4.4
119.04926	0.6
120.99571	2.2
125.02378	0.9
126.12016	0.5
127.07542	2.2
129.01802	0.7
131.03423	0.9
137.09628	1.2
143.03442	1.8
149.09633	0.6
153.09119	0.9
159.02907	1.5
161.04460	10.4
167.10663	4.7
173.19518	0.5
179.05530	1.4
185.11761	4.4
189.95502	0.5
202.05151	0.7
213.14922	0.7
225.14952	1.4
226.15149	0.9
227.13045	0.6
227.16356	1.1
241.99429	0.5
247.08289	0.5
248.03935	0.5
258.51349	0.5
259.13943	0.9
329.16245	3.9
347.17084	8.9
347.20874	0.7
361.44611	0.5
389.17667	3.1
389.21860	2.9
389.26212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92794	34.4
58.59391	35.1
59.01240	100.0
69.15853	40.9
71.44067	62.0
85.02827	64.2
96.67619	41.1
101.02316	42.7
108.12343	37.7
113.02287	43.5
145.68622	35.2
151.04012	37.4
167.97864	37.5
214.02290	41.4
222.00543	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57620	21.0
59.01245	49.5
61.98701	18.1
67.46764	22.0
69.85284	100.0
71.01249	26.7
108.61745	20.4
119.70458	18.8
125.76009	18.5
130.38133	20.7
137.26978	18.1
149.41969	18.4
224.71515	18.1
250.84517	20.3
264.97659	19.6
337.84543	22.7
360.46210	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.7
58.00473	1.6
59.01250	100.0
66.51469	1.2
69.03326	2.5
69.46211	8.6
69.46622	2.6
71.01254	44.9
72.99191	2.2
73.02818	49.5
74.03189	1.5
83.01250	14.4
83.04910	1.5
85.02830	11.6
87.00764	2.5
87.04377	1.4
89.02311	11.5
95.01273	2.5
96.95880	4.5
97.02776	1.3
99.00778	2.0
101.02325	40.1
103.03866	1.2
107.03593	1.7
113.02332	18.5
119.03397	6.3
119.04897	1.7
120.99522	8.7
122.06017	15.1
125.02357	3.3
128.03448	1.3
131.03421	3.3
132.04413	3.9
132.05493	1.2
134.05978	1.6
137.02357	1.7
143.03371	3.7
149.04436	3.2
152.01137	1.6
152.07101	21.3
155.03336	1.9
158.02376	2.3
159.02869	1.6
161.04472	12.5
164.04715	1.8
165.09116	91.5
166.09462	5.0
167.10709	12.7
182.06056	2.0
183.10143	2.8
184.03900	1.5
190.05043	9.2
207.13875	2.4
221.06651	1.2
222.07710	9.3
225.14937	1.9
226.05055	32.5
257.12158	3.6
299.12881	2.4
327.14340	2.8
345.15414	4.5
387.10947	2.4
387.16006	27.9
387.20569	1.6
387.31769	1.3
388.10019	1.6
388.16663	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	387.2022
Annotation	Sedumoside H
Peak:m/z	Relative Intensity
55.01759	7.4
55.79216	0.8
57.03318	11.6
58.00459	3.5
59.01247	43.0
68.99668	1.8
69.03332	1.1
69.41182	3.3
69.41608	4.0
71.01250	100.0
72.01584	0.8
72.99165	4.1
73.02814	37.5
75.00758	1.8
81.03339	1.3
83.01260	14.0
83.04890	3.6
84.02029	1.4
85.02818	45.7
85.99971	2.4
87.00745	54.0
87.04394	1.1
89.02312	9.9
93.16335	1.0
95.01260	10.6
97.02824	2.8
97.06462	1.8
99.00751	12.9
101.02319	57.9
111.00774	4.5
113.02328	33.6
114.10162	0.9
118.24256	0.9
119.03368	1.5
119.04871	1.5
123.00776	5.5
123.08011	2.9
125.02264	1.6
129.01825	5.0
135.04449	0.8
137.09599	7.4
141.05717	1.0
143.03358	3.4
148.21515	0.9
149.02309	1.7
149.09630	1.3
150.15479	1.0
151.00244	7.7
151.11197	9.1
153.09128	2.1
159.02884	10.0
161.04457	32.5
164.04752	1.0
165.12729	5.6
167.14311	6.7
177.12741	1.1
182.02126	5.0
183.02934	5.4
189.12773	3.5
195.13818	5.3
195.62454	0.9
207.13812	3.8
211.13426	1.0
223.06328	1.1
223.13335	1.7
225.14909	69.2
225.32980	1.1
226.15236	3.1
294.15002	1.0
297.17044	20.4
298.17407	0.9
311.10367	1.2
336.14511	1.0
349.10947	0.9
387.09912	2.7
387.15195	2.2
387.20209	40.3
388.20532	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	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.7
58.00473	1.6
59.01250	100.0
66.51469	1.2
69.03326	2.5
69.46211	8.6
69.46622	2.6
71.01254	44.9
72.99191	2.2
73.02818	49.5
74.03189	1.5
83.01250	14.4
83.04910	1.5
85.02830	11.6
87.00764	2.5
87.04377	1.4
89.02311	11.5
95.01273	2.5
96.95880	4.5
97.02776	1.3
99.00778	2.0
101.02325	40.1
103.03866	1.2
107.03593	1.7
113.02332	18.5
119.03397	6.3
119.04897	1.7
120.99522	8.7
122.06017	15.1
125.02357	3.3
128.03448	1.3
131.03421	3.3
132.04413	3.9
132.05493	1.2
134.05978	1.6
137.02357	1.7
143.03371	3.7
149.04436	3.2
152.01137	1.6
152.07101	21.3
155.03336	1.9
158.02376	2.3
159.02869	1.6
161.04472	12.5
164.04715	1.8
165.09116	91.5
166.09462	5.0
167.10709	12.7
182.06056	2.0
183.10143	2.8
184.03900	1.5
190.05043	9.2
207.13875	2.4
221.06651	1.2
222.07710	9.3
225.14937	1.9
226.05055	32.5
257.12158	3.6
299.12881	2.4
327.14340	2.8
345.15414	4.5
387.10947	2.4
387.16006	27.9
387.20569	1.6
387.31769	1.3
388.10019	1.6
388.16663	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	387.1561
Annotation	GS-3
Peak:m/z	Relative Intensity
57.01704	0.5
59.01245	4.5
71.01257	0.9
72.99178	0.9
73.02824	0.5
87.00754	0.4
89.02328	0.5
94.06506	1.7
106.06519	0.7
107.03642	10.1
111.33360	0.5
119.04921	1.7
120.04424	1.6
120.99546	0.4
121.05209	1.0
122.06003	52.4
123.06349	2.2
124.07560	0.8
130.02922	3.1
131.03648	4.7
132.04449	9.9
134.06047	1.8
135.04436	0.9
139.02629	3.2
146.06012	2.6
147.03166	1.3
148.03978	2.7
150.05542	1.0
152.07077	100.0
153.07430	4.0
158.02388	13.1
158.63600	0.6
160.03967	1.4
161.04549	0.5
162.05515	6.4
163.03876	1.2
164.07100	1.1
164.17781	0.5
175.02737	0.6
176.03532	2.5
181.04997	0.7
190.05026	52.5
191.05319	2.3
192.06587	1.6
221.09756	0.5
222.07672	43.0
223.08040	2.4
225.15013	0.5
234.07605	1.1
265.09558	0.6
295.10809	0.7
296.11508	0.6
297.12607	0.6
309.07941	0.5
327.08707	2.1
327.13635	0.6
340.10208	0.6
345.09836	1.0
345.22876	0.9
355.12906	5.4
356.13364	0.8
357.88681	0.6
359.16177	1.6
387.15585	84.5
388.15955	10.5
407.09717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	3.3
57.03328	2.5
58.00470	1.8
59.01250	100.0
60.01590	1.4
64.01664	0.7
64.41779	0.7
65.00191	0.7
69.03322	2.0
71.01251	55.3
71.04926	0.7
71.52542	1.1
72.01612	1.0
72.99178	3.3
73.02817	30.0
75.00745	1.1
81.03340	1.0
82.93690	0.6
83.01256	10.1
83.04903	0.7
85.02818	16.9
85.03293	1.1
87.00743	3.8
88.74552	0.6
89.02313	18.6
89.02834	1.3
91.01807	1.5
93.03360	1.5
95.01253	4.4
96.99232	2.2
97.02852	1.0
99.00755	5.2
101.02321	38.0
101.63611	0.9
102.98477	1.2
107.01293	2.6
108.02077	0.9
108.21200	0.6
109.02847	2.5
111.00806	0.7
113.02328	19.1
113.03070	1.3
117.03391	0.9
119.03387	7.7
119.04934	0.9
121.02864	1.6
121.10116	9.3
123.00811	3.0
123.04405	3.4
125.02354	2.0
129.01842	0.8
131.03392	1.9
134.03621	12.5
137.02357	1.2
137.09616	6.2
138.03059	0.8
143.03418	2.7
145.02898	1.5
146.03624	3.8
147.04413	1.3
149.02391	1.0
149.04553	0.8
149.06018	1.6
149.99464	0.9
151.00261	9.4
153.09221	0.8
158.03648	3.4
159.02957	2.4
159.04468	5.3
161.04468	19.7
161.05855	1.4
162.82510	0.7
163.03958	2.2
163.11194	1.0
165.09090	3.9
166.57014	0.7
167.10686	1.5
173.06036	2.9
178.02632	1.2
179.05547	1.7
181.12289	0.9
183.02901	16.0
183.10268	2.0
184.03319	0.9
189.12712	0.9
193.05013	3.6
207.13933	1.0
225.14926	3.8
266.05951	2.1
267.06662	2.8
268.07501	1.3
269.08139	1.2
281.08170	4.3
282.09003	2.1
283.09839	1.1
284.10602	0.9
295.06171	4.0
301.16522	8.1
309.07947	1.0
310.08572	3.7
325.10629	3.2
327.14465	1.3
343.12000	0.8
345.15677	3.1
345.19415	1.1
354.07394	0.8
355.06537	1.0
369.10059	1.4
387.10986	39.1
387.16635	17.8
387.20609	3.3
388.11374	5.6
388.16891	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	387.1082
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
52.37258	0.6
55.01743	1.0
57.03313	1.4
59.01250	12.7
69.03320	0.6
69.20834	3.8
69.21255	2.7
71.01249	11.5
72.99181	0.9
73.02817	5.0
75.20166	0.6
79.99566	0.6
83.01252	1.6
85.02826	5.9
87.00742	1.4
89.00220	1.2
89.02299	3.0
91.01739	1.0
93.03329	7.6
95.01260	1.2
96.99187	7.7
99.00749	1.6
99.04377	1.1
101.02319	6.7
102.98434	1.1
106.00467	1.4
108.02032	0.7
111.00755	0.7
113.02319	4.5
117.03358	1.8
119.03506	0.9
119.04909	18.6
121.02840	20.7
121.10168	1.2
122.03204	0.9
123.00776	1.5
123.04421	2.1
127.00307	0.7
129.01866	0.7
130.04120	1.2
131.04912	2.4
132.02043	1.4
133.02861	2.0
134.03593	0.8
135.04410	1.7
137.02315	2.4
137.09616	0.8
137.35638	0.6
138.03145	1.9
139.00275	1.4
139.70502	0.7
141.01833	2.9
143.03391	0.9
143.03600	0.9
143.04922	15.2
145.02826	4.2
145.06487	1.0
147.04411	1.1
149.02362	13.9
151.03920	1.3
153.01889	1.1
153.05473	8.9
153.09193	0.7
161.02316	5.9
161.04430	3.8
162.03143	3.8
163.03906	16.2
164.04691	8.8
165.01843	2.5
165.05110	0.6
173.02325	1.9
174.03163	3.4
175.03944	1.1
176.04652	5.1
177.05371	1.2
178.02638	1.3
181.01259	0.7
182.02100	2.0
183.02908	16.0
183.10239	1.4
188.04703	2.7
189.05507	6.8
189.12845	0.7
191.07117	1.6
193.01398	0.9
193.05095	0.8
196.72227	0.7
201.01852	0.8
203.07108	1.3
207.02921	1.2
208.03709	2.3
211.07562	1.2
217.10245	0.6
221.06149	0.9
223.05888	3.5
223.07832	1.0
225.14865	3.4
229.82539	0.6
239.07043	1.7
241.05034	2.9
246.71329	0.6
249.05566	2.8
250.06169	1.3
251.07086	1.7
253.05070	1.0
256.07455	2.9
257.12125	1.4
265.08780	0.9
266.05811	10.5
267.06583	11.8
268.07184	2.8
269.08121	7.1
271.09793	2.4
277.05042	1.2
279.06586	0.8
281.08191	13.9
282.08936	3.8
283.09637	2.0
284.10501	2.9
294.05301	0.8
295.06097	17.7
295.09552	0.9
296.06360	1.3
297.11441	0.9
297.17096	1.1
309.07669	1.8
310.08444	8.3
325.10764	11.9
326.11133	1.0
339.05063	2.0
343.11801	1.7
354.07495	0.9
369.09769	6.5
387.10837	100.0
387.20520	2.5
388.11169	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	387.1083
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
52.79868	0.7
57.03319	0.7
57.25705	0.6
59.01242	9.6
69.03316	1.1
71.01250	10.2
72.99158	0.9
73.02808	4.1
75.00777	0.6
83.01255	1.6
85.02821	4.1
87.00733	1.8
89.00188	1.1
89.02308	2.6
90.36648	0.6
91.01742	1.1
93.03331	7.1
95.01253	1.3
95.04937	0.6
96.99188	7.1
99.00776	1.8
99.04391	0.8
101.02327	5.5
106.00477	1.0
109.02846	0.8
113.02335	4.3
117.03328	1.5
119.03500	0.8
119.04908	15.7
120.05219	0.7
121.02832	17.0
122.03177	0.9
123.00780	1.1
123.04398	1.8
130.04141	1.1
131.04912	2.0
133.02838	2.2
134.03630	1.3
135.04407	1.4
137.02350	1.7
138.03137	1.1
139.00291	0.8
139.03766	0.6
141.01805	2.2
143.04912	12.5
145.02861	3.2
145.06500	1.7
147.04405	1.3
149.02338	12.3
150.02930	0.7
151.03825	0.7
153.05475	8.1
155.62569	0.6
159.02937	1.1
159.04362	0.9
161.02335	6.0
161.04382	3.0
162.03096	3.8
163.03912	14.6
164.04691	7.4
165.01889	1.6
171.04428	1.1
173.02357	1.7
174.03067	3.0
175.03903	1.1
176.04727	4.5
177.05534	0.7
178.06184	1.3
179.03447	0.7
179.07068	1.0
182.02133	2.1
183.02898	15.6
183.06479	0.7
183.10129	1.5
188.04695	2.5
189.01796	0.7
189.05502	6.8
190.02563	0.8
191.06964	1.6
193.01437	0.8
193.05014	1.8
193.12140	0.6
203.07077	1.6
205.04941	1.5
207.02873	0.9
208.03706	2.4
211.07465	0.8
211.13319	1.1
223.05966	3.4
225.05661	0.7
225.14937	2.0
239.07164	1.7
241.05032	2.0
241.08769	0.9
245.47523	0.6
249.05530	2.5
250.06317	0.9
251.07039	1.8
253.05080	0.8
256.07388	2.2
257.12073	2.6
266.05820	9.3
267.06586	10.3
268.07260	2.3
269.08163	5.5
271.09729	2.6
277.05023	1.4
279.06570	1.0
280.07544	0.9
281.08182	12.6
282.08774	4.4
283.09677	2.0
284.10550	1.5
294.05228	0.6
295.06107	15.5
295.09280	0.7
296.06448	1.4
297.11334	0.8
309.07532	1.4
310.08459	6.3
311.08899	0.8
325.10760	10.1
339.04959	2.2
343.11865	1.9
354.07428	1.7
369.09705	6.4
370.10065	1.2
387.10822	100.0
388.11148	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	385.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.7
59.01249	14.4
61.98685	1.4
71.01238	2.8
72.99165	1.2
73.02805	2.1
82.02235	0.8
83.04887	1.5
85.02813	9.5
89.02309	3.1
91.03880	12.1
95.04942	0.8
97.06475	0.9
99.08011	2.2
104.89146	0.9
113.09597	3.4
119.04872	1.3
127.11226	1.1
129.01793	1.0
129.09113	5.1
137.02380	1.2
139.11189	1.4
147.02945	0.9
153.09085	1.2
169.12186	3.9
171.10153	1.8
181.12221	4.9
183.13780	2.1
191.01843	2.2
191.80537	0.8
193.12103	1.5
197.11728	8.3
199.13380	4.4
209.02972	2.2
211.13316	23.0
212.13644	2.2
271.04828	2.1
275.20148	2.1
293.21207	15.9
294.21448	1.2
311.22253	100.0
312.22525	9.0
326.00983	1.2
349.16455	1.3
385.02063	1.0
385.25757	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	386.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	14.2
61.98703	12.1
69.46175	43.5
79.95621	9.1
85.02830	7.4
98.20615	13.3
110.62569	6.0
121.02804	5.7
147.03094	5.7
158.02377	53.9
174.01895	7.9
186.01875	31.0
208.38895	6.3
230.00862	91.7
231.01602	16.3
253.93193	6.4
256.02545	12.5
258.00397	39.0
271.04880	14.3
272.05466	11.2
284.00275	13.8
284.05515	11.4
286.07156	9.9
301.05975	44.1
311.99713	91.3
313.00031	9.0
327.02057	96.8
328.02301	11.2
342.04260	16.1
386.03397	95.0
386.12082	100.0
386.15982	14.1
387.12396	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	100.0
61.06560	14.0
61.97974	15.2
68.62659	14.9
71.01247	25.6
71.08347	27.5
71.08684	17.5
79.01521	15.2
85.02816	82.6
114.39452	17.8
122.93036	14.3
149.05876	14.2
150.17894	17.3
170.89079	15.2
172.32645	17.5
191.01802	26.0
209.02954	17.9
294.75793	15.3
297.10693	14.9
313.34100	19.4
385.12140	17.9
385.29779	18.5
391.74219	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	385.2228
Annotation	Oleandolide
Peak:m/z	Relative Intensity
55.17025	0.5
57.03315	1.5
59.01248	5.7
63.50409	0.5
69.93685	3.0
71.01250	1.3
81.29642	0.6
83.01257	0.9
85.02820	5.1
89.02322	1.8
91.03870	2.7
107.01280	0.7
119.04795	0.6
121.02818	0.7
122.03648	1.7
126.03096	1.2
132.55548	0.7
148.05173	2.3
149.05980	0.8
151.00253	2.5
161.04521	1.0
167.14297	3.2
191.01883	1.6
193.15874	1.6
207.17462	0.9
209.02934	0.8
223.01108	0.6
223.20573	1.8
223.82544	0.6
231.17516	1.0
233.15379	1.1
244.72015	0.5
249.18564	7.5
250.18845	0.6
256.02527	0.9
267.19635	100.0
268.19998	7.4
270.04053	1.0
271.04794	1.4
272.05548	1.0
275.16483	12.8
276.16736	1.1
284.03250	2.5
293.17575	70.7
294.17914	6.8
306.46606	0.7
311.18668	15.0
311.22226	1.3
312.18784	0.6
367.21194	6.4
385.09180	1.2
385.12872	4.0
385.22290	69.8
386.22516	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	385.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65355	1.1
57.03317	2.6
59.01252	14.3
61.95480	1.3
61.98699	2.9
64.94880	1.3
69.29663	2.4
69.30068	9.7
71.01238	2.8
71.34138	1.3
76.71716	1.3
85.02821	9.5
87.00764	1.5
89.02326	3.7
91.03889	11.9
98.20692	1.3
99.08047	2.7
109.21586	1.1
110.65655	1.2
110.85520	1.3
113.09624	3.1
129.09097	5.8
151.07533	1.3
169.12292	3.0
171.10153	1.9
175.63962	1.3
181.12312	3.6
183.13730	2.8
191.01891	3.2
193.12241	2.1
197.11766	12.1
199.13377	2.8
211.13341	17.7
212.13898	1.5
256.02481	3.1
271.04819	5.8
272.05664	3.6
293.21164	15.2
294.21359	1.8
311.22260	100.0
311.99777	1.8
312.22604	7.6
385.25793	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	385.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	100.0
61.06560	14.0
61.97974	15.2
68.62659	14.9
71.01247	25.6
71.08347	27.5
71.08684	17.5
79.01521	15.2
85.02816	82.6
114.39452	17.8
122.93036	14.3
149.05876	14.2
150.17894	17.3
170.89079	15.2
172.32645	17.5
191.01802	26.0
209.02954	17.9
294.75793	15.3
297.10693	14.9
313.34100	19.4
385.12140	17.9
385.29779	18.5
391.74219	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	385.1867
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
51.17821	0.3
51.50901	0.3
55.01765	0.4
57.03336	0.6
59.01246	6.2
60.87752	0.3
61.66755	0.3
62.35278	0.3
67.01751	0.6
70.20612	0.4
70.20930	0.8
71.01247	4.6
71.68431	0.2
72.99178	0.5
73.02824	0.7
75.00763	0.4
83.01260	0.5
85.02827	3.1
87.00748	0.4
87.04386	0.5
89.02299	2.2
93.03305	0.6
95.01263	0.6
98.19911	0.4
101.02328	1.8
107.04926	0.6
107.08524	1.0
113.02337	1.3
119.03419	0.6
119.08537	1.2
121.02840	5.0
122.03650	0.5
123.04411	3.2
125.26528	0.3
129.01819	0.6
134.03627	1.2
135.04405	15.4
147.04401	1.7
148.01613	0.3
148.05205	0.5
149.02335	3.0
149.06004	1.6
150.06760	3.3
151.07541	67.1
152.07874	3.4
153.09111	1.8
161.04562	0.5
161.05893	0.7
163.03955	1.8
163.07547	40.7
164.04713	4.0
164.07883	1.6
165.05125	0.3
165.09018	0.4
175.00230	0.9
175.03876	1.1
177.03960	2.0
177.05463	16.7
178.05853	1.0
179.03452	0.7
179.05579	0.4
179.07079	0.9
189.05489	1.6
190.02640	2.9
191.01855	0.5
191.03413	0.4
193.01233	0.3
193.04994	0.5
194.05760	1.1
195.06531	3.9
203.10709	3.4
205.05011	3.3
205.08707	0.8
205.12311	0.8
206.05766	1.4
207.02980	0.6
207.06549	7.6
208.03656	0.9
211.09729	1.1
221.08124	0.9
221.11813	1.7
221.13600	0.3
223.04477	0.4
223.06129	6.0
223.09587	2.5
223.13112	0.4
224.06372	0.5
226.04744	1.2
229.08699	0.4
239.12823	9.0
247.09740	2.7
253.14392	1.4
265.07208	2.4
265.10779	11.2
266.11145	1.0
279.12381	0.3
283.11859	7.0
284.12241	0.7
295.08371	1.3
297.13428	3.0
325.09195	2.9
326.09741	0.4
341.19598	1.9
367.17691	1.1
385.18640	100.0
386.18994	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	385.1865
Annotation	(6R,9S)-Roseoside
Peak:m/z	Relative Intensity
52.11344	0.4
55.01752	0.5
57.03310	0.4
59.01247	9.9
60.22303	0.4
67.01766	1.7
71.01239	1.6
72.99197	0.4
73.02817	0.8
85.02829	1.6
87.04358	0.7
89.02332	0.7
91.05407	0.4
93.03356	0.5
101.02296	0.6
102.98474	0.5
106.29588	0.3
107.08556	0.7
108.02086	0.4
119.08578	1.6
120.99525	0.5
122.03619	1.1
123.04414	3.9
134.03593	0.4
135.04416	16.6
135.05452	0.8
136.04787	0.5
137.02338	0.9
147.04419	2.0
149.05980	1.2
150.06763	3.0
151.07550	68.0
152.00935	0.4
152.07892	3.3
161.04643	0.6
161.05995	1.2
163.07552	39.5
164.07901	2.6
165.09073	0.4
175.03955	1.0
177.05479	13.8
178.05836	1.0
187.07544	0.4
189.05522	1.5
190.02669	0.4
194.05664	1.0
195.06509	2.7
203.10715	3.6
205.04991	1.0
205.08636	1.1
207.06569	7.1
211.09715	0.8
221.11880	1.8
223.06151	0.9
223.09674	2.3
223.13246	0.6
226.04742	1.5
239.12833	6.6
240.13010	0.6
247.09749	2.5
253.14447	1.7
263.09219	0.5
265.07385	0.5
265.10800	9.2
266.11133	0.6
283.11829	7.0
284.12180	0.4
297.13443	2.9
325.09241	0.6
326.07730	1.1
341.19626	1.4
367.17645	0.9
385.18640	100.0
386.19003	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	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27868	0.5
57.03318	0.7
59.01248	100.0
60.01579	1.1
60.80252	0.6
61.50708	0.5
67.76130	0.6
71.01247	3.9
71.52528	0.9
73.02811	2.9
73.48222	0.5
85.02820	3.1
89.02347	1.1
93.03384	0.8
96.79280	0.6
101.02319	3.0
102.98459	3.4
109.26641	0.6
113.02314	0.7
119.03338	1.0
121.02834	3.1
123.04385	0.9
135.04420	3.2
137.02350	0.9
137.09644	1.1
149.02388	0.7
161.02330	0.6
163.03870	0.6
163.07571	0.9
165.09198	0.7
179.03345	0.9
181.08617	0.6
190.02744	0.7
209.03094	0.8
217.66939	0.6
223.06126	0.9
223.13315	1.0
263.22998	0.7
283.15326	0.8
289.97430	0.6
303.55673	0.9
304.05988	2.4
369.28641	0.6
385.11511	1.7
385.18951	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	385.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33283	0.4
56.36707	0.5
59.01247	100.0
60.01587	0.7
69.40961	2.8
69.41364	0.7
71.01262	0.6
72.56619	0.4
73.02814	0.7
90.18906	0.4
90.99146	0.4
91.48639	0.4
95.56348	0.4
101.02329	1.0
101.71660	0.3
105.18352	0.3
113.02340	0.8
113.22277	0.4
121.02820	0.9
135.04398	1.1
151.07553	4.1
151.48303	0.4
163.07571	2.6
177.05487	0.9
197.04504	1.2
265.10873	0.6
279.31433	0.4
363.18423	0.4
385.18671	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	385.114
Annotation	Axitinib
Peak:m/z	Relative Intensity
57.03320	4.1
57.94305	0.7
58.00469	1.0
59.01249	19.0
70.39122	2.0
71.01253	11.7
72.99173	1.4
83.01239	0.9
85.02819	16.9
85.03291	1.3
85.29437	0.7
87.00730	0.8
89.02310	7.8
92.02513	0.7
93.03330	46.4
94.03633	1.2
94.08127	0.6
95.01259	2.0
99.04414	1.1
101.02318	6.3
103.03201	1.6
103.03885	30.5
104.04201	0.7
107.04884	1.6
108.02095	1.7
113.02347	5.0
117.05480	1.1
119.03369	3.2
121.02836	1.6
135.04382	1.8
136.01553	16.5
137.02338	100.0
138.02667	4.4
145.04991	0.9
149.02396	1.5
151.03893	7.1
159.15796	0.8
162.57358	0.6
179.03412	44.8
180.03755	1.7
190.34509	0.7
209.04538	5.2
239.05580	25.7
240.05763	1.5
247.08186	1.9
265.09274	62.3
266.09515	3.8
269.45044	0.7
281.06641	3.8
299.07635	2.2
385.11362	85.5
386.11673	8.6
400.38959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63484	0.1
57.03331	0.4
59.01246	1.2
65.03822	0.2
65.81483	0.2
71.01254	0.7
74.67014	0.1
83.01234	0.2
85.02828	1.5
89.02322	0.2
93.03330	39.7
94.03687	1.1
98.20580	0.4
101.02338	0.5
103.03880	4.4
113.02312	0.3
121.02818	0.4
137.02338	100.0
138.02669	3.8
149.07796	0.2
151.03868	0.8
179.03429	0.6
210.03676	0.2
223.43933	0.1
239.05563	0.5
247.08173	3.3
265.09296	0.9
343.21075	0.4
385.11325	7.2
386.11780	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	3.9
59.23624	1.8
61.98700	100.0
69.74951	13.1
85.02831	5.3
97.26431	2.2
188.91969	2.2
190.23099	2.2
208.76649	2.3
236.98920	2.2
311.22247	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	385.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21910	0.5
55.01746	2.0
57.03320	13.1
59.01247	9.9
61.22991	0.5
68.99679	1.7
70.63014	1.2
70.63340	0.7
71.01249	9.5
72.99176	2.0
73.02821	1.1
75.00744	4.6
75.88721	0.5
82.79044	0.5
83.01247	2.8
84.02036	2.4
85.02818	100.0
86.03155	1.7
86.90346	0.6
87.00767	1.4
89.02304	3.7
97.51279	0.5
99.00787	0.8
101.02318	1.1
103.00236	1.7
105.21717	0.6
111.00758	6.3
115.00259	1.2
117.14548	0.5
121.02856	1.5
126.37573	0.5
129.01843	6.1
133.01344	3.0
134.03630	4.9
135.04422	9.1
147.02893	5.8
149.02336	4.0
163.03876	1.2
164.04723	5.2
173.00838	1.3
179.07024	1.3
181.05138	0.7
191.01884	23.6
193.01216	0.6
193.04999	1.6
208.03670	1.3
209.02940	31.2
223.06203	3.4
231.36357	0.7
290.51498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16404	0.4
55.01757	2.2
55.80442	0.4
57.03048	0.8
57.03320	11.9
59.01247	6.8
59.54317	0.4
62.34567	0.4
68.99688	0.7
70.08763	1.8
71.01253	5.3
72.99166	2.1
73.02838	0.4
75.00739	2.6
79.00950	0.4
83.01266	3.3
84.02045	2.5
85.02820	100.0
86.03146	2.3
87.00731	0.9
89.02316	0.7
99.00794	0.5
101.02317	1.2
103.00251	1.7
111.00764	4.9
112.31738	0.5
115.00234	1.0
125.42490	0.4
125.58464	0.4
129.01816	7.3
133.01300	0.9
134.03624	3.8
135.04350	0.6
145.01337	0.6
147.02892	11.5
163.02489	0.5
163.03854	0.6
173.00829	1.8
191.01894	25.7
192.02228	0.8
193.04961	2.8
208.03845	0.4
209.02959	13.2
223.06058	1.4
314.66876	0.5
373.52811	0.4
385.07553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.2
57.03325	13.4
59.01250	6.1
68.60930	0.3
68.99676	0.8
71.01248	5.0
71.28697	0.8
72.99183	2.2
73.02829	0.6
75.00746	2.6
80.84155	0.4
83.01258	3.6
84.01619	0.4
84.02043	2.3
85.02821	100.0
86.03171	1.7
87.00741	1.1
89.02293	0.7
99.00752	0.4
101.02309	1.2
103.00256	1.1
111.00767	4.8
115.00259	1.0
117.03313	0.7
129.01822	7.2
133.01315	1.2
134.03636	4.5
140.04196	0.4
147.01781	0.8
147.02898	11.1
149.06068	0.4
173.00854	1.8
191.01894	27.8
192.02235	0.7
193.04985	2.1
209.02965	13.7
210.03247	0.6
223.04330	0.5
223.06235	0.7
292.97348	0.4
327.05496	0.4
345.76971	0.4
382.06009	0.4
385.07581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.9
57.03321	13.4
59.01254	6.8
68.99670	0.9
70.84734	1.6
71.01238	3.8
72.99181	1.4
75.00745	2.6
77.40022	0.5
81.49158	0.6
83.01250	3.0
84.02061	2.7
85.02821	100.0
86.03154	2.2
87.00747	1.1
89.02330	0.7
101.02331	0.7
102.47423	0.7
103.00253	1.8
111.00750	2.8
121.02961	0.5
129.01823	8.0
133.01369	0.7
133.29825	0.5
134.03645	4.1
137.30124	0.5
147.02878	10.3
173.00784	1.3
191.01891	28.1
192.02293	1.2
193.05013	1.8
209.02953	18.2
210.03299	0.7
258.37210	0.6
265.10489	0.6
385.11612	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99266	0.4
55.01756	2.5
57.03320	12.4
59.01250	6.5
64.30488	0.4
68.99698	1.1
69.03940	0.4
69.54700	3.1
71.01251	3.9
72.99178	1.8
73.02805	0.6
75.00772	2.2
83.01273	1.9
84.02029	2.8
85.02821	100.0
86.03163	1.9
87.00745	1.4
87.33038	0.4
89.02323	1.0
98.19791	0.6
99.68428	0.4
101.02331	0.6
103.00248	1.4
108.04461	0.5
110.86470	0.4
111.00767	4.8
115.00247	0.8
117.03394	0.5
118.02806	0.4
119.04877	0.7
129.01817	7.8
133.01357	0.5
134.03610	4.1
135.04417	0.5
145.01404	0.6
147.02884	14.0
149.06056	0.6
151.03845	0.5
173.00835	1.8
178.02512	0.5
188.03468	2.1
191.01892	29.9
192.02097	0.5
193.05028	2.5
205.06064	0.9
209.02950	14.0
329.30701	0.5
385.07574	0.9
385.12039	1.4
386.11060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.28
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05846	0.4
59.01245	29.6
61.98713	0.8
65.00190	1.9
70.73196	1.6
71.01248	4.8
71.56887	0.4
73.02810	1.4
74.25690	0.4
79.40527	0.4
82.42938	0.4
83.01245	1.0
85.02814	1.6
87.00745	2.3
89.00213	1.3
89.02305	3.7
94.31550	0.5
98.20404	0.6
99.00785	0.6
101.02327	3.3
107.01241	1.0
113.02313	2.9
117.03342	55.5
118.03673	2.7
119.03365	1.7
119.04911	0.8
119.41837	0.5
121.02834	2.0
131.01273	2.7
131.03366	0.7
133.18724	0.4
143.03416	0.7
149.02303	0.9
149.99500	0.6
151.00233	0.9
159.04417	0.9
161.02299	0.8
161.04446	2.0
165.05374	0.6
175.00237	3.4
176.00800	0.5
176.98167	1.2
179.05499	1.6
183.04407	2.1
185.02333	4.2
191.07024	0.7
195.04395	1.2
207.04466	0.7
209.11737	1.0
211.03909	1.4
223.03960	2.0
224.04617	0.6
225.05481	0.8
227.03462	1.8
231.06581	14.9
232.06879	1.0
239.03499	2.5
240.04190	1.0
250.96385	0.5
251.03563	2.1
252.04036	0.6
253.01370	1.1
267.02957	5.5
268.03723	18.2
269.04462	10.3
271.04453	0.5
281.04535	1.8
282.05322	1.0
285.06268	0.6
291.19641	1.6
295.02469	16.5
296.03049	4.5
297.04056	1.4
309.07629	1.5
309.20715	1.1
311.05646	3.3
323.09561	4.0
328.68704	0.6
341.10779	3.8
351.08725	16.8
352.08966	1.9
383.11337	100.0
384.11713	14.5
398.08395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	1.5
59.00957	1.3
59.01245	26.7
69.03319	2.0
71.01251	8.4
71.52314	1.1
71.52708	1.7
72.99181	1.1
73.02828	4.5
82.26082	0.8
83.01258	2.5
83.04896	1.0
85.02828	2.4
87.00735	3.3
87.04389	1.1
89.02319	11.8
91.03880	23.1
93.96862	0.9
94.73132	0.9
95.04900	0.9
97.06440	1.6
101.02325	5.0
109.06465	1.2
111.08032	38.4
112.08450	1.0
112.20157	0.9
113.02333	5.4
114.14583	0.8
119.03374	3.0
119.04895	2.6
121.10040	0.9
127.07556	2.0
138.66626	0.9
143.03362	2.0
151.11211	1.6
153.12798	1.7
155.10587	0.9
157.93791	0.9
161.04454	2.0
163.03845	1.1
163.54909	0.9
169.12257	8.2
179.05565	2.3
181.12338	2.0
183.13818	1.6
197.11754	100.0
198.12083	6.3
199.13326	6.3
211.13339	8.9
227.12846	4.5
247.20511	1.2
263.20160	9.3
264.20483	1.1
265.18106	4.4
273.18549	2.3
275.93231	0.8
291.19659	44.6
292.19989	4.7
297.00458	0.9
309.20691	82.7
310.21008	7.2
323.09824	4.3
341.10812	5.9
383.11115	1.5
383.24097	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	383.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	1.5
59.00957	1.3
59.01245	26.7
69.03319	2.0
71.01251	8.4
71.52314	1.1
71.52708	1.7
72.99181	1.1
73.02828	4.5
82.26082	0.8
83.01258	2.5
83.04896	1.0
85.02828	2.4
87.00735	3.3
87.04389	1.1
89.02319	11.8
91.03880	23.1
93.96862	0.9
94.73132	0.9
95.04900	0.9
97.06440	1.6
101.02325	5.0
109.06465	1.2
111.08032	38.4
112.08450	1.0
112.20157	0.9
113.02333	5.4
114.14583	0.8
119.03374	3.0
119.04895	2.6
121.10040	0.9
127.07556	2.0
138.66626	0.9
143.03362	2.0
151.11211	1.6
153.12798	1.7
155.10587	0.9
157.93791	0.9
161.04454	2.0
163.03845	1.1
163.54909	0.9
169.12257	8.2
179.05565	2.3
181.12338	2.0
183.13818	1.6
197.11754	100.0
198.12083	6.3
199.13326	6.3
211.13339	8.9
227.12846	4.5
247.20511	1.2
263.20160	9.3
264.20483	1.1
265.18106	4.4
273.18549	2.3
275.93231	0.8
291.19659	44.6
292.19989	4.7
297.00458	0.9
309.20691	82.7
310.21008	7.2
323.09824	4.3
341.10812	5.9
383.11115	1.5
383.24097	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	383.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67953	0.7
53.59888	0.7
54.52440	0.7
57.03315	1.8
59.01249	16.6
60.73003	0.8
64.29878	0.8
67.01739	2.0
69.03338	0.9
69.44212	2.5
69.44640	3.8
70.24741	0.7
71.01254	11.3
73.02817	8.6
73.73489	0.8
75.00732	0.8
76.64333	0.7
83.01241	1.1
83.75013	0.7
85.02819	4.7
87.00787	1.4
87.04389	2.1
89.02325	2.3
93.03362	0.8
95.01240	0.9
96.95898	2.7
97.02822	4.1
97.06400	0.8
98.20565	0.8
99.00735	0.9
101.02316	2.8
107.04903	2.2
108.02047	6.3
109.02856	4.2
111.00727	0.7
113.02334	3.8
115.00332	1.0
119.04914	1.2
121.02814	1.1
122.03682	0.7
123.08064	0.9
133.01294	2.0
133.10109	2.4
135.04408	7.4
137.09581	1.6
148.05214	2.4
149.05957	4.5
149.09512	1.2
150.06737	2.9
151.03915	1.5
151.07568	3.7
152.01073	5.8
153.01785	2.2
159.63805	0.7
161.05980	22.6
161.09624	0.8
162.06664	2.4
163.07555	3.4
163.11220	0.8
165.09166	0.9
166.06197	0.8
173.05991	2.3
174.06781	1.2
174.23019	0.8
175.07545	5.2
176.08267	2.7
177.05534	8.8
177.09122	40.6
178.09454	2.0
179.07080	0.8
179.10686	1.1
187.07541	2.3
188.08249	0.9
189.09135	22.0
190.09465	1.4
191.10701	8.8
194.05731	0.9
201.09279	0.8
203.07062	8.1
203.10759	5.9
204.07491	0.9
205.08673	1.5
205.12151	0.8
213.09140	1.6
215.10721	1.2
221.08121	1.1
221.11806	2.7
223.06046	0.8
223.13318	3.0
229.12280	3.3
231.10263	1.7
233.08107	2.1
233.11794	2.6
239.12798	1.1
247.09717	1.5
247.13383	1.3
249.11224	2.3
251.12862	12.0
263.13007	1.9
265.11838	0.9
265.14270	3.9
281.13925	1.1
288.07288	0.7
291.12451	2.4
295.11789	2.3
303.16159	0.9
309.13440	2.9
315.07358	4.2
321.17020	1.6
323.09866	1.1
339.18085	2.5
341.10699	1.2
341.15472	0.8
365.15967	1.6
383.17065	100.0
384.17365	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	383.1133
Annotation	Licopyranocoumarin
Peak:m/z	Relative Intensity
53.41086	0.4
55.50556	0.4
59.01249	2.7
65.00192	1.2
69.88406	0.4
71.01242	0.7
71.10178	0.6
87.00736	0.4
89.00177	1.1
89.02287	0.5
93.23206	0.4
99.50397	0.4
117.03342	51.4
118.03651	2.8
119.01275	0.5
131.01273	1.5
147.00775	0.8
148.01549	0.4
149.02328	0.8
151.00273	1.1
163.00281	0.5
170.54333	0.4
171.04437	0.5
175.00294	4.3
176.98206	1.0
183.04430	1.5
185.02362	4.6
188.19775	0.5
193.01289	0.4
195.04471	1.4
197.02266	0.5
199.03996	0.5
207.04446	0.6
209.02318	0.7
211.03943	0.8
223.03923	1.2
227.03445	2.0
227.05443	0.4
231.06586	13.8
232.06924	0.6
239.03500	3.2
240.04036	0.8
251.03477	2.2
252.03954	0.5
253.01430	1.0
267.02966	4.1
268.03735	17.5
269.04468	9.2
270.04901	0.6
279.06793	0.4
279.10147	0.5
281.04614	1.7
282.05356	1.4
283.02606	0.5
294.01764	0.7
295.02472	15.6
296.03125	3.8
297.04034	1.2
308.03629	0.4
309.07657	1.2
311.05557	2.8
318.94373	0.4
323.09268	2.4
351.08707	17.0
352.08972	1.5
383.11328	100.0
384.11658	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.7
57.03320	4.7
57.69126	0.5
58.00458	1.6
59.01247	32.0
61.39017	0.5
63.87225	0.5
68.35530	0.5
71.01246	16.4
72.99178	1.6
73.02837	2.8
83.01266	1.5
85.02820	27.9
86.03191	0.7
87.00748	2.1
87.04353	0.7
89.02317	17.5
91.05399	6.5
95.01250	1.0
97.02892	0.5
99.00748	1.5
99.04392	0.7
101.02324	12.2
101.05963	0.6
102.98480	0.6
103.03886	46.4
104.04224	1.1
113.02334	8.8
115.05403	2.4
117.03348	16.1
119.03389	6.8
121.02821	1.8
131.04947	2.6
135.04410	9.3
143.03346	0.6
145.04965	1.5
145.06482	1.0
149.05978	10.2
159.04424	13.2
160.04852	1.1
161.04434	1.7
177.05467	5.6
178.06223	2.8
179.05490	1.3
179.06885	1.0
189.05487	2.2
247.08171	0.7
253.08986	0.6
265.09262	100.0
266.09564	5.2
362.19083	0.6
383.13428	50.3
384.13803	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.2
59.01245	18.6
60.51284	0.9
61.81184	0.8
62.71640	0.9
64.16265	0.7
64.31709	0.7
71.01249	10.8
71.52349	1.1
73.02813	2.6
83.01237	2.1
85.02808	3.0
87.00749	2.7
89.02310	5.7
95.01258	1.2
97.37389	0.8
99.00754	1.2
101.02296	4.8
113.02333	8.1
117.02564	1.6
117.03343	19.1
117.04172	1.1
119.03397	2.0
119.04889	1.0
124.71008	0.8
145.06468	1.0
147.04445	0.8
161.02339	3.6
161.04410	2.1
163.00235	2.2
169.82242	0.9
177.12405	0.9
179.05531	1.6
188.01102	2.0
189.05484	1.9
189.99030	1.6
221.18892	2.1
226.54318	0.9
231.06609	6.8
233.04398	2.5
239.03444	1.1
252.04193	2.0
253.16278	3.9
267.03119	1.3
268.00964	0.6
268.03723	19.1
279.02640	0.9
280.03802	2.9
281.04468	7.3
282.05325	4.9
283.02585	1.4
283.05582	1.3
296.03198	2.7
307.06171	1.7
308.03268	19.9
308.06531	1.3
309.03555	1.2
309.20715	1.8
311.05698	4.5
323.09348	6.7
323.17279	1.2
334.08588	1.4
335.09305	1.7
341.10883	5.9
351.08679	31.3
352.08987	3.3
365.06512	5.1
367.22232	0.8
383.11343	100.0
384.11734	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	383.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.5
59.01248	100.0
60.01591	1.0
60.17456	0.3
61.27098	0.4
69.63598	0.3
71.01243	2.7
71.52792	0.3
73.02818	0.6
73.03877	0.3
83.01270	0.7
85.02807	1.7
87.00732	0.7
89.02317	1.2
90.45229	0.3
93.03329	6.0
95.01248	0.3
97.02835	0.5
101.02342	1.4
104.21918	0.3
107.04907	0.5
108.02065	1.8
109.02867	0.4
111.00747	0.4
113.02345	1.4
119.03357	0.4
119.04868	0.4
129.01773	0.4
134.20628	0.3
135.04419	0.7
137.02336	11.0
138.29576	0.3
140.09729	0.3
143.03416	0.4
149.02356	0.7
149.05997	0.6
149.07208	0.3
150.03276	0.4
151.03879	0.4
151.07590	1.1
152.01067	1.7
153.01804	0.8
154.00893	0.9
160.60643	0.3
161.04546	0.5
161.05971	0.5
164.04741	0.4
177.05502	1.4
179.01605	0.5
179.03426	0.4
193.05037	0.4
196.72997	0.3
205.05037	0.5
221.04523	1.3
221.11841	0.4
223.06062	0.8
251.07373	2.6
281.06635	3.3
315.07315	0.4
333.16235	0.4
341.11066	0.4
343.10526	0.3
383.09506	1.7
383.17102	2.2
384.10413	0.4
384.17508	0.4
407.13678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.2
59.01245	18.6
60.51284	0.9
61.81184	0.8
62.71640	0.9
64.16265	0.7
64.31709	0.7
71.01249	10.8
71.52349	1.1
73.02813	2.6
83.01237	2.1
85.02808	3.0
87.00749	2.7
89.02310	5.7
95.01258	1.2
97.37389	0.8
99.00754	1.2
101.02296	4.8
113.02333	8.1
117.02564	1.6
117.03343	19.1
117.04172	1.1
119.03397	2.0
119.04889	1.0
124.71008	0.8
145.06468	1.0
147.04445	0.8
161.02339	3.6
161.04410	2.1
163.00235	2.2
169.82242	0.9
177.12405	0.9
179.05531	1.6
188.01102	2.0
189.05484	1.9
189.99030	1.6
221.18892	2.1
226.54318	0.9
231.06609	6.8
233.04398	2.5
239.03444	1.1
252.04193	2.0
253.16278	3.9
267.03119	1.3
268.00964	0.6
268.03723	19.1
279.02640	0.9
280.03802	2.9
281.04468	7.3
282.05325	4.9
283.02585	1.4
283.05582	1.3
296.03198	2.7
307.06171	1.7
308.03268	19.9
308.06531	1.3
309.03555	1.2
309.20715	1.8
311.05698	4.5
323.09348	6.7
323.17279	1.2
334.08588	1.4
335.09305	1.7
341.10883	5.9
351.08679	31.3
352.08987	3.3
365.06512	5.1
367.22232	0.8
383.11343	100.0
384.11734	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	383.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	27.2
63.07236	4.7
67.01725	5.4
71.01249	16.6
71.52450	8.0
72.99178	11.9
73.02808	4.9
81.03323	11.1
83.01250	6.7
85.02806	17.8
87.00720	6.2
87.45393	4.4
89.02315	5.3
89.03838	11.7
91.01694	4.9
91.25736	4.7
93.02802	7.2
93.03315	34.9
95.04909	11.4
97.02847	10.2
101.02328	10.1
105.03304	11.3
106.04124	7.3
107.04867	10.2
108.02041	15.7
109.02810	15.4
111.00750	50.6
113.02317	5.1
119.04855	7.8
120.99534	4.6
121.02839	19.9
122.03559	7.6
123.04402	75.3
125.02320	5.6
128.74477	5.5
133.02827	53.4
135.04353	6.9
137.02361	9.1
143.03343	13.0
149.02345	22.7
151.03909	100.0
152.79849	4.4
162.03055	5.5
163.03920	7.6
169.01328	27.3
173.00746	6.4
177.01791	6.6
177.05466	23.1
177.09081	18.4
178.02625	9.4
195.02907	79.7
195.06622	6.2
196.03368	5.5
203.03349	9.0
203.07079	10.2
205.03452	14.7
221.04456	28.9
221.08118	23.0
251.07335	15.3
383.13297	21.3
383.17459	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	383.077
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
54.09649	0.5
59.01250	9.7
61.98707	0.7
68.99680	1.2
71.01250	5.1
71.52515	0.7
71.52879	0.6
73.02830	1.7
83.01256	1.0
85.02803	1.2
87.00733	1.4
89.02339	4.5
97.02815	0.7
101.02299	3.9
107.04883	0.8
113.02338	1.9
119.03331	0.9
121.02839	100.0
122.03183	2.2
127.91741	0.6
144.78941	0.6
145.02840	1.2
147.04414	2.2
147.08052	1.1
149.02328	2.7
157.08728	0.6
161.04469	1.1
163.03958	0.7
170.09782	0.6
171.95685	0.6
171.97270	0.6
179.05530	1.4
180.05785	0.8
181.06509	4.2
191.03429	9.0
191.07016	4.4
207.04369	0.6
217.05077	1.0
225.05498	7.4
226.05844	1.0
251.07130	3.7
270.04041	0.7
271.04462	0.7
291.19641	1.1
295.06076	10.9
309.20667	1.5
310.01050	0.6
311.09244	15.2
311.12741	1.1
312.09598	1.5
313.07166	18.9
314.07483	1.8
323.09729	2.2
339.08716	18.0
340.09192	1.5
341.10806	3.3
357.06168	0.7
383.07626	23.4
383.11627	1.1
384.07910	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	382.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.4
69.51844	1.5
69.52252	3.7
71.01238	2.0
73.02805	0.7
75.42720	0.7
89.02335	1.7
94.98936	0.6
101.02326	0.8
102.25145	0.7
106.04116	1.8
108.27396	0.6
113.02301	1.5
134.03625	5.6
137.02309	1.8
146.10065	0.7
156.84258	0.6
159.08043	1.5
166.02649	3.8
187.07570	0.9
188.08298	2.4
191.02248	0.7
198.05556	1.3
209.11794	1.3
213.07849	1.4
227.02220	0.7
229.15903	1.5
255.01656	6.0
270.04071	15.5
270.06796	1.3
271.04346	1.3
282.14963	15.2
283.15417	2.1
285.06403	12.2
286.06827	1.0
300.16025	100.0
301.16379	10.8
309.20932	0.9
341.10901	2.0
382.15146	1.6
398.98492	0.7
401.05267	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
62.04513	0.8
63.92206	0.7
69.22845	7.4
70.71748	0.8
71.01279	1.3
74.28014	0.7
89.02367	0.9
101.02344	1.2
113.02330	0.9
144.02229	0.8
188.13348	0.7
214.08325	0.7
316.74283	0.7
341.11172	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91533	0.6
59.01245	4.8
61.98730	0.7
63.05571	0.5
69.34061	4.4
69.34482	1.3
73.02837	0.7
75.04059	0.6
78.95774	1.0
85.71561	0.6
87.05988	0.6
106.03471	0.6
109.06551	0.9
112.69785	0.6
137.05994	1.2
138.06784	0.8
139.03954	1.0
151.07573	0.8
152.99486	1.4
164.08354	0.9
170.05742	4.4
174.03236	1.1
181.12280	1.0
182.09607	0.8
192.11581	0.7
199.13348	2.9
217.00352	0.6
233.19260	0.7
235.20625	1.1
245.08145	10.3
251.20171	2.3
270.29117	0.7
277.18076	81.8
278.18445	6.7
279.19641	26.5
280.19913	2.2
295.19122	100.0
296.19489	8.8
307.22723	0.6
331.22641	0.8
349.23779	1.8
363.25378	16.9
364.25656	2.4
381.21466	1.1
381.26471	7.6
382.26663	1.1
391.63025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96295	0.5
58.55522	0.5
59.01236	1.6
66.02867	0.5
69.88025	1.0
69.88433	2.0
71.01228	0.8
73.02805	0.7
89.02298	0.7
98.20495	0.6
98.84033	0.5
101.02307	0.8
113.02327	0.6
120.04386	1.0
131.03627	0.8
132.04428	3.3
148.03937	0.8
160.03934	1.4
168.84557	0.5
175.02654	3.6
176.03435	100.0
177.03801	4.6
199.38756	0.6
220.02409	3.9
323.55829	0.5
338.08957	1.1
382.07745	19.3
383.08078	2.3
387.57953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1915
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
50.00721	0.6
57.03318	0.9
57.68217	0.7
59.01239	3.0
69.89076	1.5
69.89489	2.3
73.02818	2.9
87.04382	8.5
93.03345	0.8
98.20522	1.2
101.02354	0.7
105.06992	1.1
107.04964	0.7
117.06971	2.1
118.84499	0.6
119.04926	5.9
131.08545	0.8
133.06468	1.1
135.04401	19.4
147.04451	1.7
148.05144	1.5
149.05939	2.0
159.08046	2.8
161.05978	100.0
162.06319	5.3
171.10179	0.9
173.06012	3.2
174.06735	1.3
175.03905	20.7
175.07535	4.7
176.04622	1.9
176.08197	0.8
177.05489	8.0
180.04099	1.0
185.05980	1.7
187.03897	1.7
187.07550	1.0
188.04692	3.0
189.05411	1.1
189.09138	5.2
191.07013	0.9
201.05466	1.1
201.09152	1.6
203.07060	59.6
204.07372	2.5
208.03629	1.5
208.07230	1.5
213.07211	0.9
213.09140	8.8
215.07057	2.5
217.08568	4.2
219.10162	7.1
229.12321	1.5
231.10173	9.2
232.10609	0.9
233.11815	1.6
241.12210	0.7
243.10252	1.4
245.08162	1.2
247.09747	5.1
248.10103	0.8
249.11256	5.1
255.10327	1.5
261.11285	60.0
262.11542	3.4
263.09128	1.0
271.13281	1.0
273.11301	2.4
289.14627	0.7
289.17944	0.7
291.12369	10.1
293.10550	0.8
293.13931	1.6
319.15414	1.2
323.15030	4.1
331.15488	5.2
349.16458	16.3
350.16846	1.6
363.18063	2.0
381.19128	59.9
382.19574	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	381.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26522	0.2
59.01236	0.9
60.37729	0.2
61.98689	0.2
69.55206	1.5
69.55622	0.5
70.33381	0.2
75.96548	0.3
78.95786	0.3
79.05399	4.7
89.12405	0.3
92.04939	0.9
98.19784	0.3
116.04931	0.4
130.06500	0.6
131.03662	8.2
132.04491	0.4
144.04422	0.4
148.37050	0.3
152.99490	0.5
155.07310	7.0
157.05229	1.3
158.06033	0.7
166.06528	3.7
170.09666	2.2
180.08102	8.5
181.08473	0.5
182.09668	16.3
183.06802	1.1
183.10043	0.8
196.07579	0.4
197.08368	0.7
198.09166	100.0
199.09502	5.3
199.13458	0.3
211.10103	0.3
245.08215	0.8
250.15971	2.0
252.13905	0.5
259.06183	0.5
259.08734	5.1
260.09018	0.3
272.09558	1.0
299.11844	1.2
363.18527	0.4
366.17862	0.4
381.19760	3.8
382.19955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01533	0.4
55.01759	5.2
57.03313	3.1
58.00454	1.2
59.01249	50.1
60.01563	0.8
60.34093	0.5
61.14450	0.4
66.46235	0.5
69.03310	1.4
71.01251	50.3
71.39201	0.8
72.01573	0.8
72.99194	2.7
73.02815	26.8
75.00728	2.2
81.03313	0.9
83.01259	11.0
85.02822	25.5
85.99953	1.6
86.03111	0.6
87.00760	3.5
87.08040	0.6
89.02316	9.6
93.10815	0.5
95.01259	3.4
97.02829	2.4
99.00749	10.8
99.04399	0.9
101.02319	51.5
102.02628	0.9
111.00771	2.8
113.02327	20.3
114.02666	0.4
115.03919	1.1
119.03360	0.8
119.04915	0.7
121.02828	0.6
125.02342	3.4
125.89902	0.5
129.01807	1.7
131.03394	3.3
141.01694	0.5
143.03386	2.2
149.04463	1.0
157.08548	0.7
159.02908	4.0
161.04460	19.9
162.04791	0.5
177.01820	0.6
205.03476	1.1
233.06631	2.3
240.35741	0.5
245.00430	0.6
249.13394	100.0
250.13786	6.5
265.09366	0.6
293.08646	0.7
293.12286	0.6
321.11786	0.6
321.15424	0.9
338.17822	0.6
381.17642	85.4
382.10934	0.6
382.18008	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31581	0.6
58.06393	0.6
59.01247	100.0
60.01587	0.7
61.00649	0.5
71.52556	0.7
71.52945	0.7
83.07269	0.5
85.02834	0.7
113.02308	0.7
205.44023	0.6
266.29474	0.6
274.81409	0.5
345.24573	0.6
381.15210	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34126	0.8
59.01249	100.0
60.01574	0.9
65.00562	1.0
66.47991	0.8
69.54984	2.0
69.55412	3.9
71.01254	1.8
73.02794	0.8
75.00730	1.3
78.19551	0.8
85.02813	1.3
87.00777	1.2
89.73449	0.9
98.20530	1.6
130.06596	1.1
132.04460	1.9
134.03682	1.1
149.02338	0.9
158.06065	6.7
164.04695	1.1
175.02435	1.4
202.05025	2.9
240.62932	0.8
279.14368	1.0
340.67325	0.8
382.11230	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	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27608	0.8
59.01249	100.0
60.01585	1.2
61.46085	0.7
68.34079	0.7
69.61940	1.5
69.62345	3.5
71.01249	5.9
73.02822	1.9
74.10746	0.7
83.01248	1.1
85.02837	3.4
89.02312	1.1
98.19884	1.0
101.02323	3.5
111.00793	1.6
112.51424	0.7
113.02356	2.4
119.03394	0.9
122.78973	0.7
134.03633	1.1
135.41402	0.7
146.29189	0.8
149.52376	0.8
153.09137	1.0
161.04495	2.1
175.05965	1.0
177.01880	2.1
235.11842	6.4
267.09833	0.9
381.13062	0.8
381.17682	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	380.1557
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
53.03176	1.1
55.16130	1.1
59.00996	1.3
59.01253	17.0
63.56011	1.2
70.18314	1.1
70.99513	2.5
70.99855	1.7
71.00903	1.8
71.01255	25.3
71.04893	6.2
85.02814	3.7
85.93075	1.1
87.00779	1.3
88.03912	3.3
89.02306	8.4
99.04398	2.2
101.02334	6.5
104.02889	1.2
113.02309	4.0
119.03370	2.0
128.07060	1.7
146.08127	47.3
146.90468	1.1
147.08501	1.5
161.04480	1.6
200.09218	1.2
215.13629	1.1
249.17572	1.2
308.13504	4.9
362.14285	2.0
380.15585	100.0
381.16159	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	380.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01577	1.3
69.74375	0.8
71.07882	1.3
74.29028	0.9
103.51740	0.9
147.84596	0.7
152.99516	1.2
153.54182	0.8
174.03043	0.9
185.37218	1.0
227.07198	1.1
245.08191	8.1
307.21814	1.0
366.93896	1.2
381.20639	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
62.29441	1.1
65.00194	1.3
66.81312	1.2
67.01760	3.2
69.40667	5.8
69.41091	5.0
73.02831	7.3
89.03867	2.8
97.02812	4.2
111.00764	22.2
117.03362	4.4
117.72481	1.2
134.03630	86.0
135.03957	3.1
143.02362	1.9
143.03400	20.1
149.05978	4.3
154.99750	1.7
169.01343	18.9
178.02621	4.6
193.04985	100.0
194.05283	5.9
205.03452	2.2
252.54341	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1608
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01756	1.1
57.03333	1.7
58.00468	2.2
59.01249	100.0
59.60721	0.6
60.01587	1.1
62.08518	0.6
69.47569	0.7
71.01252	52.5
71.39102	0.8
71.39442	1.0
72.01608	0.6
72.99184	5.1
73.02815	9.1
75.00793	0.7
83.01252	3.2
83.04909	0.8
85.02821	18.9
87.00298	0.7
87.00727	3.0
89.02314	70.7
90.02656	1.2
93.11584	0.6
95.01259	2.7
97.02811	0.8
98.37475	0.6
99.00756	12.3
101.02319	33.7
103.03893	14.6
113.02325	17.6
113.03077	1.2
115.03881	1.2
119.03384	16.7
125.02332	2.6
125.03163	0.7
126.05492	2.6
131.03403	10.4
136.68675	0.6
141.92856	0.6
143.03413	3.9
145.04901	0.7
149.04454	26.4
153.09084	0.6
155.10648	0.9
161.04459	5.0
167.63943	0.6
168.06538	0.7
179.05530	8.4
191.05536	9.6
199.09735	2.3
211.13283	1.1
233.06610	1.6
247.11824	4.2
251.07678	1.9
265.09265	46.9
266.09625	2.7
277.12979	1.0
308.29871	0.8
319.13898	1.2
379.12170	0.8
379.16077	21.0
379.95883	0.7
380.16589	1.3
380.20862	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	379.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
59.33158	1.6
63.66356	1.7
71.23773	3.8
74.57407	1.6
84.56364	1.7
188.37334	1.7
201.27370	1.6
214.88789	1.5
256.62741	1.6
264.36090	1.5
279.07202	1.9
284.78238	1.7
301.21835	2.7
375.07928	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	379.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	0.5
57.03312	2.4
58.00452	1.4
58.29966	0.4
59.01247	31.8
69.27075	1.8
69.27504	2.5
71.01250	14.2
72.99179	1.4
73.02797	1.1
74.08665	0.4
83.01256	1.1
85.02817	16.0
87.00784	0.8
87.04367	0.6
89.02317	12.7
95.01225	1.1
99.00768	0.7
99.04401	0.7
101.02312	10.1
103.03884	24.6
104.04252	0.6
105.74002	0.5
113.02332	6.0
117.05422	0.5
119.03378	5.0
145.04948	0.9
157.82846	0.5
161.04446	1.8
176.03401	3.7
179.05547	0.7
195.77031	0.5
220.22171	0.5
247.11873	1.3
265.09265	100.0
266.09650	5.1
332.16190	0.5
379.16138	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01562	1.6
71.01261	2.8
71.29070	1.6
73.02811	3.5
85.02831	1.2
89.02352	1.1
101.02320	4.4
103.03917	1.2
108.33469	0.7
113.02332	2.4
129.46600	0.7
161.04469	1.1
265.09396	2.5
323.12823	0.7
379.15668	0.8
402.95538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90498	0.6
56.81622	0.6
59.01249	100.0
60.01591	0.7
71.01264	2.5
71.28773	1.2
73.02827	3.1
75.12804	0.7
88.62930	0.6
89.02321	1.9
90.45065	0.7
101.02284	3.8
103.03900	0.8
113.02295	0.8
116.82027	0.7
119.03442	0.7
143.03403	0.8
149.04503	0.9
161.04601	1.0
183.64990	0.7
197.58032	0.6
265.09235	3.1
361.54980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.4
61.98701	100.0
69.13776	0.3
71.78288	0.2
93.03378	0.4
95.04914	0.3
95.07723	0.2
98.19770	0.5
141.22060	0.2
166.16196	0.2
224.43413	0.2
237.45786	0.2
252.03700	0.5
264.93182	0.3
276.02914	0.3
293.21280	1.1
310.76419	0.3
319.12378	0.3
320.09274	0.4
341.09619	1.2
378.18991	4.3
379.19122	0.3
395.21387	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
69.38464	11.4
69.38892	15.2
80.28738	3.1
80.88857	2.9
80.96377	3.7
87.91199	2.7
100.57353	2.6
104.63889	2.7
194.21053	3.0
249.11087	3.2
291.09045	8.4
359.15399	11.0
360.15555	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	377.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.6
57.03319	0.8
58.00471	1.2
59.01247	58.5
60.01585	0.8
69.03339	0.7
69.51023	2.8
71.01250	28.9
72.99197	1.2
73.02814	32.1
75.00710	0.5
81.03313	0.5
83.01254	7.2
85.02814	5.0
85.77041	0.4
87.00746	3.3
89.02312	12.5
95.01273	2.1
97.02829	0.7
97.48920	0.4
98.20567	0.8
99.00764	1.0
101.02317	29.1
101.12289	0.4
102.02670	1.0
110.81590	0.5
113.02323	9.4
119.03388	5.2
125.02358	0.7
127.20286	0.4
131.03389	1.7
137.09560	0.7
143.03383	0.8
149.04448	0.8
155.03352	0.5
155.10674	31.4
156.11011	1.5
160.03990	0.5
161.04446	2.8
172.05191	1.3
173.11731	6.0
308.19824	0.5
317.16028	10.5
318.16519	0.8
335.17081	39.7
336.17429	3.5
377.18118	100.0
378.18497	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	377.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.3
57.03322	1.5
58.00456	0.5
59.01245	100.0
60.01598	1.1
62.44336	0.4
69.03334	0.4
69.26064	0.6
69.26470	2.5
71.01248	16.2
71.04893	0.7
72.99171	0.7
73.02814	5.8
75.00753	0.4
81.42344	0.3
83.01253	2.9
83.04881	0.3
85.02811	9.3
87.00751	0.8
89.02317	4.6
92.04924	0.5
95.01276	1.1
97.02814	0.5
99.00749	2.3
101.02316	14.2
113.02322	7.5
119.03416	1.4
122.65553	0.3
125.02363	0.6
135.04366	0.5
137.05914	0.4
143.03435	1.1
159.02826	1.7
161.04453	8.9
161.05833	0.4
165.05377	0.3
167.63490	0.3
173.05992	0.4
173.15341	2.0
275.10300	0.6
305.17563	1.7
317.19803	1.0
335.20728	19.7
336.20950	1.5
377.16119	2.7
377.28058	0.3
390.32123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	54.9
60.54673	1.2
61.98723	1.4
69.85465	6.8
71.04891	4.6
76.81605	1.1
83.04854	1.5
87.04388	1.5
89.38329	1.1
98.20262	3.6
113.02318	1.2
118.09899	1.2
127.90663	1.1
162.25964	1.1
177.16362	1.9
191.17976	1.4
196.06595	1.3
196.37144	1.2
209.15451	2.0
210.97186	1.7
217.04579	1.2
223.16904	3.2
225.00699	1.7
231.21184	2.2
235.16974	35.6
236.17352	2.3
273.04663	1.3
275.20151	39.4
276.20544	3.6
288.45294	1.2
293.21207	100.0
294.21530	9.1
314.95660	1.5
315.19473	2.5
359.01230	5.0
375.21494	34.1
376.21808	4.2
377.01913	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	375.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	5.0
59.01250	40.5
71.52467	2.6
99.32944	1.7
113.09624	17.0
121.06524	1.9
121.10130	6.8
132.16557	1.8
133.26544	2.1
159.45811	1.8
167.10696	2.5
171.10190	23.5
179.10599	2.2
217.00285	2.2
218.00681	2.1
275.20120	31.9
275.22910	2.7
276.20374	2.4
278.91129	2.0
293.21216	100.0
294.21707	10.3
315.19388	71.6
316.19736	8.7
375.21393	17.3
376.21857	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	375.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36959	0.4
55.01765	1.1
57.03315	1.0
58.00462	1.6
59.01247	51.2
60.01581	0.5
69.49574	0.4
71.01250	24.8
72.01588	0.8
72.99175	2.1
73.02825	1.2
74.18710	0.5
78.02264	0.5
83.01258	2.3
85.02821	6.3
87.00759	1.4
89.02311	19.9
95.01255	2.0
97.02797	0.5
99.00764	0.8
101.02319	15.9
106.44985	0.4
110.51345	0.5
113.02328	7.9
119.03392	6.0
132.02019	0.8
133.02791	0.6
134.03679	0.5
140.41084	0.4
151.00201	0.5
160.01582	1.5
175.03946	1.4
183.13954	0.6
193.04903	0.7
195.13835	10.2
196.14160	0.9
213.14915	4.6
268.03711	2.5
269.04486	2.7
375.20212	100.0
376.09839	2.4
376.20499	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	375.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19282	1.3
59.01247	41.2
59.81543	1.2
63.32691	1.3
65.28273	1.4
66.10347	1.2
69.03337	1.8
69.53793	4.7
69.54219	5.5
80.06349	1.3
95.04900	5.2
96.68697	1.3
107.14613	1.2
117.00323	1.9
121.10114	32.6
149.09622	2.2
159.01427	1.4
171.10168	62.4
172.10431	2.0
183.13783	1.8
185.11714	2.5
188.15688	1.7
207.09999	1.7
208.96399	1.3
217.00165	2.4
231.21172	4.6
253.09315	5.9
275.20132	100.0
276.20465	9.9
278.11285	10.6
293.21201	86.3
294.21576	8.5
297.18201	1.7
315.19397	44.7
316.19824	3.5
333.19122	1.5
338.12140	2.1
338.42850	1.7
355.58490	1.6
359.18359	5.5
375.20746	54.3
376.20953	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	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29624	1.0
55.44772	0.9
55.73215	0.9
59.01246	20.6
69.77841	3.5
76.05757	0.9
93.03316	1.1
95.04897	35.6
98.20510	1.4
99.92461	2.1
150.02959	0.9
179.14264	1.5
195.13846	11.0
205.12231	1.0
217.00279	1.5
223.13364	8.7
228.13620	1.5
231.21135	1.1
246.12329	13.5
249.06197	1.4
254.02936	1.6
256.13074	2.7
275.20218	6.0
275.22809	1.4
278.11328	88.5
279.11652	3.8
293.21210	100.0
294.21475	7.7
306.13550	1.1
309.68445	1.0
315.19379	17.1
316.19653	1.9
320.83350	0.9
338.12219	14.9
339.12607	1.3
375.21063	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	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17788	0.5
59.13263	0.5
66.00323	0.5
71.01215	1.3
71.01566	0.8
74.98933	2.4
79.26790	0.5
82.87465	0.5
93.00015	1.2
96.12767	0.6
100.47295	0.6
147.72803	0.6
159.08354	10.5
161.06270	3.2
177.26114	0.7
192.98062	1.0
209.01175	2.3
217.07191	1.7
275.05948	1.3
277.07492	2.1
289.07419	1.9
291.09073	91.0
292.09201	12.5
309.10327	1.1
357.13712	2.3
359.15320	100.0
360.15479	16.4
360.18988	0.4
375.18417	4.9
376.18558	1.0
377.16455	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14932	1.2
59.01263	2.0
70.38549	5.2
74.98949	2.1
90.62504	1.4
97.79822	1.2
159.08389	9.1
161.06322	2.8
171.34698	1.4
199.24788	1.3
209.01076	2.0
271.54758	1.3
283.97559	1.5
291.09091	90.8
292.09073	11.8
340.71591	1.3
357.13837	1.4
359.15320	100.0
360.15533	14.6
375.18442	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	374.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.7
69.39705	0.2
71.52610	0.3
88.26321	0.2
100.07540	0.2
101.05959	1.3
120.56148	0.2
124.07538	0.5
148.14639	0.2
149.07152	0.2
165.10176	0.2
184.61020	0.2
189.10249	0.5
205.12115	0.2
217.00238	0.8
232.10861	9.5
233.11134	0.5
243.32346	0.2
265.09106	0.2
272.17728	0.4
272.85889	0.2
286.11859	0.2
289.17908	1.8
290.18723	2.9
306.98392	0.2
316.16507	1.7
318.18326	0.5
358.21313	1.1
374.24454	100.0
375.24777	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	374.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93227	0.6
51.45868	0.7
59.01249	100.0
60.01586	1.2
60.10954	0.7
69.94558	1.2
69.94975	2.6
75.18810	0.6
78.78490	0.6
79.74192	0.7
92.52480	0.7
96.95893	1.6
124.81420	0.7
174.99150	1.0
208.62880	0.7
217.00195	3.7
314.27103	0.9
374.24686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91857	1.9
57.37286	2.0
59.01246	100.0
62.35641	2.2
71.52300	1.9
85.46843	1.8
120.47205	1.9
126.87180	2.2
126.88192	2.0
151.03874	2.0
240.83588	2.1
299.84686	2.0
335.68372	1.9
373.31155	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	373.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	12.9
59.01248	33.6
60.01571	0.7
69.03326	0.9
69.19648	3.2
71.01250	0.4
79.66705	0.3
79.95610	0.8
85.06457	9.3
86.66843	0.3
97.06477	0.3
101.09576	0.4
121.02852	0.8
125.09663	0.6
139.11206	0.3
141.12737	0.5
143.10678	8.3
155.14282	1.3
167.14330	4.9
168.14752	0.4
183.13823	6.8
183.17450	0.4
184.14128	0.6
195.17447	0.5
201.53735	0.3
209.19016	2.0
211.16934	0.9
213.15410	0.3
239.58482	0.3
251.17920	0.3
251.20013	1.7
253.21693	2.8
267.23291	1.4
269.21191	1.7
269.24847	2.9
285.24316	4.7
286.24692	0.7
292.67032	0.3
313.23828	18.5
314.24133	1.6
322.25052	0.4
331.24875	100.0
332.25247	9.7
355.49277	0.4
373.25916	37.9
374.26297	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	373.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03539	0.5
55.01517	0.7
55.01759	7.2
57.03318	6.9
58.00462	2.1
58.99457	0.6
59.01247	59.9
60.01587	1.1
67.01767	0.4
69.03311	1.5
71.01248	100.0
71.04877	0.6
71.52657	0.8
72.01582	1.6
72.99171	4.4
73.02816	33.4
74.03159	0.5
75.00748	2.2
80.39426	0.4
81.03341	0.6
83.01250	18.1
84.02032	0.7
85.02818	47.4
85.99960	1.7
86.03162	1.3
87.00735	5.3
89.02314	16.2
93.03326	0.5
94.06487	0.5
95.01256	7.8
97.02798	2.9
99.00750	14.1
101.02316	81.1
102.02670	1.6
102.98460	2.9
103.03944	0.6
107.03713	0.5
107.04909	1.8
111.00763	2.1
113.02322	42.4
114.02644	1.0
114.27735	0.5
119.03385	4.5
121.02827	1.5
121.67945	0.5
122.05986	3.7
123.00744	0.6
125.02335	3.9
129.01817	2.5
131.03392	0.5
132.04430	8.5
137.09532	0.5
138.26462	0.4
141.01801	0.8
143.03418	4.7
151.04018	0.5
152.07062	8.7
159.02887	11.0
161.04454	52.3
162.04817	2.1
169.01321	0.6
176.03471	0.8
179.05472	0.9
205.03452	2.2
211.16957	2.1
215.12787	0.7
216.48625	0.5
223.17114	0.6
253.18031	0.5
269.12909	0.6
281.17572	0.7
285.04147	0.6
285.15067	0.6
297.12335	2.9
331.17526	1.5
331.21216	1.6
341.11380	11.4
342.11813	1.5
373.12610	0.8
373.17590	1.1
373.22226	20.4
373.26004	1.2
374.22549	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	373.1863
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
57.03331	0.4
59.01248	100.0
60.01582	1.3
69.56412	1.2
69.56841	1.6
71.01251	5.6
73.02808	2.6
83.01262	0.8
85.02827	1.9
89.02332	3.2
96.76295	0.4
98.19801	0.6
99.00767	0.7
101.02304	3.2
113.02313	2.6
119.03402	1.4
132.04436	1.9
138.14903	0.4
143.03387	0.5
145.10597	0.4
152.07034	0.9
161.04453	2.6
164.07086	0.7
179.05562	0.6
297.12753	0.6
313.16537	0.6
329.15189	0.6
331.17767	1.9
381.93845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83290	0.2
55.01758	0.4
57.03319	0.5
59.01248	100.0
60.01581	1.0
71.01246	5.1
71.01617	0.4
72.99194	0.4
73.02829	1.2
76.84617	0.2
83.01262	0.5
85.02817	2.3
89.02321	1.6
95.01253	0.4
96.18247	0.3
98.20570	0.6
99.00764	0.5
101.02316	2.1
113.02329	2.0
119.03409	0.8
137.27451	0.3
143.03365	0.3
159.02914	0.3
161.04459	2.0
166.56900	0.2
270.17389	0.2
331.17542	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	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
53.74392	0.4
55.01762	0.8
56.49897	0.4
57.03324	1.3
58.00467	0.9
59.01249	100.0
60.01585	1.1
61.13776	0.3
71.01250	16.5
71.04887	0.4
72.99186	1.0
73.02819	7.9
73.03202	0.7
75.00769	0.6
77.75671	0.3
83.01264	3.6
85.02820	6.7
87.00741	1.3
87.04406	1.1
89.02316	7.5
90.77459	0.3
95.01258	1.2
95.01839	0.3
97.02849	0.4
99.00768	1.0
101.02319	12.3
101.05988	1.0
102.98477	0.5
111.00764	0.5
113.02327	7.4
119.03379	4.3
121.02876	0.5
121.78477	0.4
123.04422	0.4
125.02358	0.9
131.03410	0.9
136.49823	0.3
143.03436	1.2
146.10435	0.4
149.04465	0.6
150.85252	0.3
159.02913	0.5
161.04448	5.3
173.81702	0.3
179.05559	1.5
211.13347	0.6
229.18321	0.5
242.71712	0.3
265.14087	0.3
285.15390	0.5
313.16605	1.1
313.20154	0.4
329.27231	0.4
331.17645	6.8
331.21289	0.7
332.18011	0.6
373.13275	0.7
373.18069	0.8
373.22189	0.6
373.26288	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	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.4
57.88050	0.3
59.01249	100.0
60.01591	0.9
69.87792	1.0
71.01253	3.7
72.99194	0.3
73.02815	1.5
81.95100	0.2
82.93366	0.3
83.01254	0.7
85.02826	1.7
89.02318	2.3
90.92801	0.2
91.43900	0.2
95.01265	0.5
101.02322	2.5
101.12102	0.3
113.02332	2.1
119.03425	0.9
125.02377	0.3
132.04477	0.6
143.03397	0.4
152.07179	0.4
161.04482	1.0
179.05573	0.5
253.99384	0.3
285.12448	0.3
298.65826	0.2
313.16641	0.6
329.11423	0.3
331.17703	1.0
341.11554	0.5
341.64011	0.3
350.88400	0.3
373.18481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01757	1.0
57.03322	1.5
58.00480	0.7
59.01250	100.0
60.01593	1.0
71.01254	17.4
71.04874	0.9
71.53341	0.5
72.99197	0.8
73.02817	5.9
83.01257	2.2
85.02829	7.3
87.00774	1.3
89.02315	6.8
89.02827	0.5
95.01267	1.4
97.02846	0.5
99.00771	1.6
101.02322	13.1
102.02697	0.4
102.98500	1.2
111.00751	0.6
113.02332	7.6
117.52123	0.4
119.03363	2.0
125.02374	1.0
139.11243	0.6
141.96780	0.4
143.03418	1.6
151.03963	0.8
159.02904	0.8
161.04474	7.7
161.05807	0.4
169.12292	0.9
171.52725	0.4
179.05624	0.8
183.37756	0.4
211.13243	0.8
221.15480	0.4
253.05219	0.6
283.88651	0.5
313.16629	1.6
331.17633	8.5
331.21359	0.8
332.18130	1.2
341.11600	0.5
369.86670	0.4
373.17181	0.5
373.25876	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13723	0.2
52.64948	0.2
52.74479	0.2
54.26396	0.3
54.59259	0.2
55.01760	0.8
56.87590	0.2
57.03321	0.9
58.00473	0.5
59.01250	100.0
60.01586	0.9
69.03335	0.3
71.01253	16.1
71.53161	0.3
72.99193	0.9
73.02818	5.1
73.13940	0.2
75.00770	0.5
76.23495	0.2
83.01260	2.2
84.02042	0.2
85.02301	0.3
85.02823	6.8
87.00749	2.2
89.02317	8.2
95.01273	1.4
97.02854	0.2
99.00734	1.2
101.02322	12.3
108.02084	0.3
109.06485	0.2
111.00747	0.2
113.02331	6.0
113.03071	0.4
119.03381	3.5
125.02379	0.6
131.03392	1.5
143.03395	0.7
151.11220	0.8
153.41789	0.2
159.02936	1.0
161.04471	6.2
169.12268	0.3
179.05592	1.0
185.11668	0.2
203.05508	0.4
211.13429	0.8
221.06590	3.3
229.14453	0.3
270.04056	0.3
286.07227	0.7
313.16666	0.6
331.17639	5.8
331.20694	0.3
332.18085	0.5
341.11560	0.3
343.00299	0.5
373.09488	0.3
373.17737	0.5
373.25989	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18421	74.3
60.03800	66.6
71.52595	100.0
79.02813	69.6
147.89705	69.2
182.27116	69.7
189.43721	72.4
250.00648	78.5
289.31412	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.1
71.01270	1.3
71.15167	1.6
79.23454	0.6
85.02808	2.4
102.83578	0.6
105.31991	0.7
109.99974	7.8
111.00820	0.9
113.02341	2.3
123.00887	0.7
124.01505	1.0
125.02326	5.6
137.02333	0.7
137.98480	1.0
137.99474	8.3
139.00273	6.4
151.03850	0.9
152.01077	2.3
153.01834	100.0
154.02617	7.4
155.03409	1.0
167.03397	6.0
168.04195	43.9
169.01350	1.3
169.04970	16.8
170.05165	0.6
179.03360	0.7
187.77367	0.7
196.03716	1.5
211.06035	1.9
252.27823	0.7
284.87753	0.7
373.11520	2.8
380.40866	0.8
391.32541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.3
69.03320	11.9
69.74886	3.2
71.14419	0.5
79.01749	5.0
81.03315	0.7
83.01252	0.8
85.02839	1.2
95.01260	1.4
97.02822	6.8
100.71979	0.6
101.02254	0.8
107.01256	17.9
107.01965	1.2
108.02125	0.8
121.02847	0.8
123.00743	2.3
125.01443	1.2
125.02325	16.8
128.87262	0.5
133.02928	0.6
135.00769	11.6
136.01540	1.3
149.02321	0.7
151.00270	17.4
153.01881	0.6
163.03960	1.6
165.01830	1.2
166.02615	100.0
167.03386	20.0
168.03726	0.7
177.01845	2.3
191.88045	0.6
209.04501	2.6
221.04623	0.7
339.06848	0.7
371.09741	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	371.1608
Annotation	GS-2
Peak:m/z	Relative Intensity
51.03104	0.2
57.03294	0.2
59.01245	3.3
66.81719	0.2
69.95495	0.7
69.95903	0.4
70.00137	0.2
71.01250	0.3
74.02349	0.3
78.57181	0.2
85.02818	0.2
103.01750	0.3
103.24195	0.2
107.20383	0.2
108.08065	3.3
110.02335	0.2
116.04939	0.2
120.04434	0.3
121.05219	5.1
124.03901	0.4
125.39195	0.2
130.02878	2.1
131.03670	2.5
132.04442	5.5
133.04741	0.2
134.06036	0.5
135.03162	0.9
136.07571	100.0
137.07922	3.7
144.04417	0.3
146.06044	1.5
147.03140	0.9
148.03935	1.1
150.01840	0.5
152.03421	0.8
153.04225	3.5
158.02379	7.1
159.02797	0.3
160.03931	1.1
161.04497	0.2
162.05504	3.0
164.07074	0.3
166.02641	0.5
167.03398	0.6
174.01883	0.2
175.48906	0.2
176.03410	1.5
177.03960	0.2
177.05864	0.2
188.03490	0.2
190.05014	30.3
191.05424	1.4
192.06566	0.7
193.04811	0.2
202.04991	0.4
204.06606	0.4
213.18578	0.3
222.07651	25.6
223.08020	1.6
229.99028	0.2
234.07607	2.0
246.11311	0.2
248.79926	0.2
269.03964	0.2
270.04370	0.5
279.11304	0.4
307.10666	0.3
311.14001	0.6
329.23352	1.3
339.13455	3.1
340.13525	0.4
343.16684	1.6
351.40463	0.2
371.16068	50.2
372.16391	5.8
372.23535	0.3
383.65610	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.098
Annotation	Randioside
Peak:m/z	Relative Intensity
50.27996	0.4
57.03309	0.9
59.01252	3.9
65.00172	0.6
68.09642	0.4
71.01246	1.3
73.02817	0.5
81.03331	7.0
83.01252	3.2
83.04890	1.8
85.02827	1.1
86.22490	0.4
91.01778	1.3
95.01246	0.4
95.04889	1.3
97.02818	0.8
104.61633	0.5
107.01249	0.6
109.02827	0.6
119.04886	0.5
121.02857	1.1
123.04404	43.0
124.04735	1.3
125.02326	6.7
131.01266	0.6
135.00745	1.0
135.04460	0.7
137.02315	1.5
139.03935	0.6
149.02350	1.4
151.00220	1.6
151.03886	1.4
163.03931	1.7
166.02580	0.8
167.03404	100.0
168.03737	3.5
175.00323	1.5
179.03439	1.2
181.05008	2.3
191.03413	21.3
192.03801	1.1
192.69826	0.5
193.04955	0.6
203.98265	0.5
209.04472	10.0
221.04430	2.6
225.15984	0.5
233.04407	0.6
243.17101	0.6
280.82077	0.5
371.09818	3.2
371.21786	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	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.6
57.03320	9.5
58.00474	1.1
59.01248	19.8
69.03326	1.3
70.37273	3.8
70.59267	1.0
71.01250	23.0
72.99170	5.0
75.00743	45.2
83.01264	1.5
84.02038	2.5
85.02818	18.7
87.00753	18.8
89.02319	6.4
90.42435	1.0
97.02819	1.4
99.00732	9.0
101.02317	3.4
108.45011	1.0
111.00754	2.4
113.02313	1.1
115.03927	1.1
117.01836	1.0
117.03342	7.6
129.01828	22.9
133.02832	1.6
134.03636	76.3
135.04021	2.3
141.01788	1.5
147.04446	1.1
149.06006	5.5
159.02930	6.9
160.01564	4.1
175.03952	6.1
176.04668	1.6
177.03963	100.0
178.02759	2.5
178.04268	3.8
178.26089	1.2
191.07053	3.0
193.04987	68.0
194.05319	3.3
195.05031	82.6
196.05415	2.8
223.05954	1.7
235.06108	3.4
295.08203	2.0
353.08832	2.3
363.20398	1.1
371.09796	88.0
372.10095	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	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	12.5
59.01248	31.6
61.75106	1.8
67.52357	1.7
68.99681	3.1
69.33810	16.3
71.01257	38.4
72.99150	6.1
73.02813	3.2
75.00743	62.5
76.24893	1.6
79.49262	1.7
81.12317	1.6
81.36074	1.8
83.01263	4.0
84.02045	2.4
85.02823	26.3
87.00754	21.8
89.02283	5.7
97.02761	2.4
99.00751	14.3
101.02306	6.8
105.01823	3.1
111.00742	5.2
113.02301	4.7
117.01810	2.4
117.03356	4.5
121.02830	35.0
123.04389	15.3
125.02310	2.7
129.01825	24.9
132.02087	2.2
134.03625	76.6
135.03929	2.3
137.02339	3.5
147.02864	5.6
147.04378	3.8
149.02356	44.5
149.05959	6.4
159.02899	6.3
160.01573	3.2
163.97296	2.0
164.04703	30.6
165.03949	26.4
167.02147	1.5
167.03413	40.4
175.03882	5.1
176.04558	2.0
177.03960	100.0
178.02640	3.2
178.04219	3.6
179.07089	2.1
184.13570	1.8
193.04985	65.3
194.05382	3.5
195.05017	66.1
223.06055	33.4
224.78612	2.0
235.06029	2.2
249.06221	7.9
281.24326	2.0
353.08646	4.2
369.39450	1.9
371.05106	4.0
371.09802	68.7
372.10059	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	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	4.2
58.00446	3.0
58.93167	2.4
59.01248	36.9
69.53495	17.0
71.01247	24.9
72.99172	7.3
75.00745	31.5
81.03295	3.6
81.88573	2.5
83.01262	4.5
85.02808	22.9
87.00716	3.4
89.02325	14.8
89.03823	2.4
98.20620	4.9
99.00751	7.5
101.02325	9.8
103.03882	2.8
103.55155	2.7
109.02856	4.0
111.17394	2.4
113.02302	4.0
117.03335	7.3
119.03404	4.6
121.02782	3.7
123.04397	26.9
125.02335	5.2
129.01831	18.2
134.03630	94.4
134.04654	4.7
137.02347	7.0
149.02350	12.1
149.05984	7.1
150.38817	2.8
151.00198	3.8
163.03914	5.8
165.05540	6.8
166.02618	9.7
167.03419	45.8
176.01016	8.4
177.03960	23.8
178.02634	7.4
179.03349	3.0
190.05013	5.1
190.99866	2.9
191.03444	16.0
191.05069	3.5
193.04999	100.0
194.05423	5.4
195.05035	65.1
209.04541	3.5
223.05992	3.7
262.29443	2.6
294.53076	2.4
371.09613	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	370.1294
Annotation	Papaverrubine D
Peak:m/z	Relative Intensity
52.65307	0.4
56.06553	0.5
59.01238	2.7
61.98684	0.5
71.52657	0.7
85.17995	0.5
121.02790	0.5
145.03311	0.5
153.11897	0.5
229.03723	0.7
242.04666	1.1
256.06107	1.9
257.03271	28.7
258.03690	1.9
268.02615	1.3
269.03323	1.7
270.04059	42.6
271.04666	4.0
279.05402	0.6
280.02518	1.5
280.05695	0.6
281.03311	6.2
282.04025	10.0
283.04688	4.0
284.05597	3.5
285.06357	5.0
294.07498	0.8
296.05637	9.4
297.06168	1.1
298.07227	0.7
299.04340	0.8
300.05005	1.4
306.07849	0.9
308.05649	3.9
310.07324	0.9
312.08765	8.3
317.05356	2.0
322.07172	4.7
323.07864	5.2
324.08640	1.3
337.09607	1.0
338.10352	15.2
339.10706	1.6
340.08231	27.3
341.08569	2.5
352.08914	1.6
355.10590	23.9
356.11053	2.6
370.12955	100.0
371.03333	1.0
371.13315	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	371.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01714	0.6
56.28539	0.4
59.01245	15.9
64.50790	0.5
65.00198	1.5
69.03313	0.8
71.01254	3.6
71.29703	1.0
71.30058	0.6
73.02808	2.2
82.13505	0.5
83.01238	1.3
85.02812	1.3
91.01766	30.7
92.02103	1.7
96.95894	0.8
101.02325	3.1
101.17733	0.6
107.01260	0.6
107.04878	1.4
113.02316	2.8
125.02323	0.9
135.00772	34.3
136.01096	1.3
166.02652	1.1
167.03404	100.0
168.03746	3.5
225.14894	0.9
227.16528	1.2
230.68750	0.6
236.34294	0.5
239.16544	1.6
269.17535	1.1
306.42651	0.6
371.09702	1.8
371.20676	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	11.5
71.01241	6.9
84.42750	1.6
89.02313	3.4
91.03870	9.8
91.39711	1.8
98.20381	2.0
101.02322	1.9
183.49002	1.7
195.13786	14.3
199.00676	2.6
219.38771	1.5
241.70825	1.7
241.73041	1.6
277.18701	2.8
277.21628	14.3
283.86438	2.3
295.22748	100.0
296.22946	10.5
297.04047	3.5
325.27261	3.9
348.52200	1.7
352.08182	2.0
369.09683	5.6
369.17206	1.7
370.09729	2.2
379.69836	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57703	1.3
55.01738	1.3
57.03312	4.3
58.00461	4.0
59.01249	100.0
60.01588	1.5
71.01252	57.2
71.52240	1.2
71.52650	2.2
72.99169	7.9
73.02817	1.6
75.00739	9.1
75.13549	1.3
81.82587	1.4
83.01250	3.9
84.84153	1.2
85.02819	21.2
86.03156	1.4
87.00786	3.4
89.02316	64.4
95.01236	4.5
97.02880	1.5
99.00720	3.5
101.02328	38.6
111.43880	1.3
113.02334	20.0
114.13166	1.5
119.03387	28.0
119.04887	14.4
119.42786	1.4
122.02374	2.5
124.65596	1.3
129.01843	5.6
131.03386	2.9
134.03624	23.7
137.02368	2.5
143.03450	2.7
149.02359	2.3
149.04492	1.5
149.05977	2.3
163.03926	24.3
166.02686	3.1
167.03395	2.3
172.03893	3.8
177.04036	6.4
179.05498	3.0
190.05045	52.6
191.05334	2.7
193.04984	19.0
195.05029	21.2
328.32834	1.7
341.10950	1.3
370.11407	37.0
371.10379	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	369.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.7
55.25480	1.9
57.03333	9.2
59.01249	92.5
60.90313	1.9
61.10119	1.8
67.01743	4.0
68.81074	1.7
69.03321	7.6
71.01251	37.9
71.04903	2.5
71.52588	3.0
72.99183	4.3
73.02815	15.9
75.00735	2.2
83.01263	14.2
83.04946	1.9
85.02814	36.4
87.00742	8.4
89.02317	6.6
90.57631	1.6
95.01266	4.9
97.02824	7.8
99.00751	7.8
99.04413	2.6
101.02317	25.4
106.04142	5.4
108.02029	2.2
109.02836	3.0
111.00726	4.5
112.01557	3.9
113.02328	22.9
119.03374	2.1
121.06524	2.3
129.01796	3.6
137.09630	4.3
151.02640	1.8
153.09113	5.6
163.03886	1.9
165.05479	3.5
165.09117	81.3
165.12772	2.3
165.99570	2.5
166.09480	4.1
181.12128	1.9
209.15358	5.4
217.78993	1.8
221.15479	1.7
225.14935	9.0
249.11488	2.5
249.15025	2.5
267.15994	2.1
309.13419	100.0
310.13763	6.2
327.14456	72.4
328.14795	5.5
350.80963	1.9
369.15320	2.4
369.19214	8.0
382.36816	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	369.1339
Annotation	CHEMBL1689340
Peak:m/z	Relative Intensity
50.73696	0.4
52.28406	0.4
58.37453	0.4
59.01223	0.9
59.75769	0.4
60.40679	0.4
63.02254	1.7
65.00191	5.9
68.99690	1.2
71.00831	0.5
75.32536	0.4
83.01260	0.7
85.02831	0.5
96.26662	0.4
99.24788	0.5
101.83025	0.4
105.06956	0.8
107.04891	0.9
107.08562	0.5
108.02071	3.1
109.02837	0.8
109.06471	3.2
121.02838	0.7
123.04388	1.9
129.07010	0.8
131.08557	1.9
133.02831	1.2
133.06480	17.5
134.03625	34.2
134.06824	1.0
135.00803	0.5
135.04424	9.8
136.01569	1.7
137.02312	1.3
148.01538	0.6
149.02350	1.6
149.05978	22.0
150.06314	0.9
151.07530	7.3
159.04514	0.5
161.02351	5.7
163.00258	1.8
164.01010	0.7
168.98843	0.6
172.17307	0.5
175.00262	2.5
175.03923	1.5
175.07547	6.8
176.01039	6.3
176.07956	0.4
177.01822	1.7
177.05399	0.4
189.01898	1.0
189.05498	1.3
190.06255	1.0
191.07039	2.6
193.08578	0.7
201.01848	0.5
203.03526	0.5
203.06996	0.8
204.07849	0.8
217.05009	1.0
219.06558	41.4
220.06885	2.4
232.07379	1.6
233.08165	2.9
237.07629	0.6
245.08131	3.5
264.06442	2.1
277.17609	0.4
311.05591	1.1
354.10825	1.0
369.13397	100.0
370.13766	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	369.119
Annotation	Hapalindole F
Peak:m/z	Relative Intensity
54.58616	0.2
57.03320	3.2
58.00455	0.6
59.01249	9.0
67.26859	0.2
68.43353	0.2
69.37899	0.7
69.38319	1.2
71.01247	6.3
71.04903	0.4
71.83992	0.2
72.99191	0.8
73.02811	0.6
73.10650	0.2
83.01254	0.5
85.02819	17.8
87.00762	0.9
87.04368	0.2
89.02306	1.5
94.61310	0.2
98.19785	0.3
99.00761	0.4
99.04384	0.7
101.02328	1.3
101.05950	0.3
101.14502	0.2
103.03883	28.7
104.04213	0.5
107.93159	0.2
111.50305	0.3
113.02319	0.8
117.05419	0.5
119.03371	0.4
121.02837	100.0
122.03162	3.4
135.04408	47.0
136.04755	1.7
145.04959	1.3
147.04301	0.3
163.03903	5.0
189.05388	0.3
193.05043	0.5
193.43523	0.2
217.05035	0.3
223.06071	1.0
247.08142	1.5
250.96207	0.3
356.00046	0.2
369.11862	72.6
370.12177	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	369.0977
Annotation	Glycyrrhiza flavonol A
Peak:m/z	Relative Intensity
58.94854	0.3
59.01271	0.9
62.21491	0.3
65.00180	1.6
68.99692	0.5
69.16016	0.3
71.53167	0.5
83.18109	0.3
85.02847	0.3
89.00224	0.6
91.01823	0.5
107.01305	0.9
111.00792	0.5
113.95126	0.3
117.03339	11.7
118.03667	0.3
121.02907	0.8
131.01305	1.2
133.02888	0.4
133.06529	0.8
134.03633	1.8
135.00774	1.8
135.04416	0.6
135.16496	0.3
145.26978	0.3
149.02344	7.4
149.05998	1.0
151.00316	2.2
153.83710	0.3
159.04417	2.5
161.02394	0.9
163.00381	0.4
175.00308	3.4
176.01057	0.3
176.98349	2.0
177.01849	12.2
178.02264	0.3
178.99768	9.7
179.01292	0.6
181.06563	0.4
183.04424	1.8
185.02431	0.9
189.98933	0.3
190.02686	0.3
201.05502	1.3
202.02574	0.3
207.04572	0.3
213.05470	0.3
219.06552	1.9
223.04123	0.5
224.04649	0.3
225.05457	2.0
227.03468	1.7
229.04970	1.6
231.06441	1.5
233.04475	0.5
240.04196	0.4
251.03439	1.2
253.01448	0.5
253.04991	0.7
267.02884	0.7
268.03745	1.3
269.04517	12.3
270.04840	0.8
280.40619	0.3
281.04581	1.3
282.05350	0.8
295.02448	16.8
296.02762	1.4
297.04022	63.3
298.04388	5.7
308.03250	2.7
323.08972	0.8
333.07889	0.4
351.08691	3.6
352.09137	0.5
369.09714	100.0
370.10068	10.5
370.14597	0.6
377.59180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79142	0.3
62.63219	0.3
63.02259	1.4
65.00203	1.1
68.99681	0.5
69.77635	1.9
78.13337	0.4
83.01255	0.9
85.81834	0.3
96.89896	0.3
98.19952	0.7
101.09193	0.3
103.01561	0.3
107.01270	2.3
111.73525	0.3
117.03349	3.5
149.02344	1.3
149.99513	0.8
151.00279	3.4
154.76611	0.3
159.04491	0.6
169.01350	0.4
171.04430	1.2
172.05200	1.1
175.00299	1.1
177.01865	4.4
178.99796	1.9
183.04433	0.8
184.05283	0.4
185.02396	0.7
195.04417	0.7
196.05200	1.2
199.04016	0.6
200.04716	1.1
200.81750	0.3
201.05450	0.7
211.03955	2.2
212.04672	0.9
224.04828	0.4
227.03500	0.7
239.03458	4.6
240.04216	5.5
241.04707	0.5
267.03018	1.6
268.03757	100.0
269.04269	13.5
283.02383	1.7
293.82190	0.4
295.02441	2.0
296.03259	26.6
297.03998	19.9
298.04550	1.7
369.09769	57.7
370.10083	6.6
381.95255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.5
60.65783	0.3
63.02262	0.8
65.00211	0.9
68.99693	0.5
70.27334	1.2
71.01221	0.3
83.01266	1.0
91.01783	0.4
107.01253	2.7
111.00772	0.4
117.03340	11.6
118.03663	0.6
119.04901	0.4
120.47598	0.3
121.02824	0.3
131.72787	0.3
133.02779	0.4
134.05968	0.3
135.00761	0.5
148.01540	0.7
149.02341	2.7
151.00247	3.7
159.04414	1.1
161.05899	0.3
167.04912	0.3
169.01369	0.4
171.04369	1.0
172.05193	0.8
175.00299	1.1
176.98192	0.5
177.01831	4.3
178.99783	2.7
179.99995	0.4
183.04443	0.9
184.05205	0.5
185.02379	0.9
195.04469	0.6
196.05136	0.7
200.04736	0.7
201.05396	0.5
203.07072	0.9
205.05023	0.7
207.04486	0.4
211.03854	1.7
212.04631	0.8
225.05501	1.4
227.03354	1.0
231.06526	0.7
239.03409	3.4
240.04227	4.3
251.03406	0.7
253.04971	0.5
267.02963	2.6
268.03738	100.0
269.04361	19.7
270.04800	1.0
281.04593	0.8
283.02405	3.2
295.02405	4.2
296.03220	17.2
297.03992	20.0
298.04504	1.9
307.06085	0.4
323.09204	5.2
324.09552	0.5
341.10226	1.2
351.08698	1.3
369.09741	99.8
370.10080	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	369.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80583	0.4
62.03658	0.4
64.36922	0.4
65.00223	1.5
68.16756	0.4
68.99709	0.5
70.96347	1.0
86.65604	0.4
93.03368	0.6
95.04927	0.8
107.01227	0.7
109.02892	0.6
111.04388	0.5
117.03334	18.8
118.03677	0.9
119.04940	1.4
121.02863	0.4
123.04411	1.1
129.70567	0.4
133.02834	0.6
135.00809	1.1
137.06015	0.5
145.06477	0.5
147.04437	1.2
149.02371	1.3
151.48094	0.5
159.04443	1.2
161.02345	8.2
161.03540	0.7
161.06029	1.0
163.00281	4.1
163.03925	0.9
164.01019	0.6
165.05482	2.7
175.00348	0.9
177.01834	2.1
178.99799	1.1
183.04457	0.8
185.02425	1.1
187.07603	0.9
188.01086	4.0
189.05498	2.6
189.99014	1.7
201.05582	0.5
203.07010	1.9
205.04889	0.6
209.06024	0.6
211.03967	1.0
213.05516	1.1
224.04695	0.8
225.05502	0.7
227.03528	0.7
231.06558	4.3
233.04538	3.8
237.05502	0.9
237.09131	0.4
239.03436	0.6
240.04185	0.7
251.03555	0.9
252.01897	0.4
252.04309	1.8
253.05046	1.3
254.05800	0.7
265.08545	0.6
268.03748	12.2
269.04422	2.2
279.03073	0.8
280.03824	2.3
280.06912	0.5
281.04538	17.1
282.05261	14.7
283.05600	1.3
293.04434	1.3
295.02493	3.0
297.04025	8.0
298.04535	0.5
307.02502	1.3
307.06116	2.5
307.09573	0.7
308.03268	22.8
308.06772	2.0
309.03760	3.4
309.07080	0.7
314.04660	0.6
323.09213	5.2
333.07684	0.5
351.08704	99.2
352.04828	0.8
352.09030	12.2
369.09744	100.0
370.10098	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	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.4
57.03320	16.4
59.01247	7.7
63.93628	1.3
66.46883	1.4
69.86561	5.4
69.86971	2.9
71.01260	9.9
72.99183	3.8
73.02817	3.1
83.01254	8.6
84.02033	3.0
85.02821	100.0
86.03162	1.9
87.00768	1.5
89.02322	2.3
98.20464	1.9
100.81628	1.4
101.02322	5.5
111.00772	25.2
116.04913	1.9
119.04890	8.4
121.02840	12.9
125.02278	1.9
129.00885	2.0
129.01836	34.5
133.02852	3.7
140.52336	1.5
147.02905	4.6
155.79199	1.5
160.03873	1.3
161.04430	1.7
163.03900	8.4
181.05061	7.7
187.02502	1.5
190.05000	3.0
191.01924	3.5
205.03487	23.4
223.02524	2.8
223.04558	37.0
315.71686	1.5
369.08182	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	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.6
55.28336	0.8
57.03321	14.4
59.01245	8.2
67.01719	0.8
71.01270	10.8
71.38374	0.8
72.99171	3.0
73.02815	2.1
75.00732	3.8
83.01252	8.5
84.02032	1.8
85.02821	82.9
86.03151	1.4
86.38996	0.9
87.00753	2.7
89.02282	1.5
93.03316	3.2
97.40694	0.7
100.06848	0.7
101.02330	8.4
103.03885	8.2
111.00763	31.5
112.01082	1.1
113.02331	1.1
119.04913	7.0
121.02853	1.0
122.02367	45.0
123.04386	1.6
125.02352	1.4
129.00879	1.4
129.01830	27.8
129.02774	1.6
135.04428	1.6
136.03938	12.1
137.02330	1.1
145.02849	0.9
147.02875	3.7
147.04362	1.5
151.03876	1.4
153.01842	1.3
159.03009	0.9
161.04439	2.1
163.03889	5.6
164.03421	2.8
165.05467	2.1
173.04471	5.9
187.02344	1.2
190.05052	0.9
191.05515	1.1
192.00623	0.9
205.03456	31.0
207.02832	1.0
212.58791	0.8
223.04533	100.0
224.04930	3.5
247.08107	0.8
369.07797	1.2
369.11841	1.8
369.15704	1.1
370.06949	1.6
370.11444	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	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.1
57.53191	0.4
59.01250	9.6
65.00208	0.5
67.01758	0.7
69.65073	1.5
69.65477	0.8
73.02818	1.3
83.01264	1.2
85.02818	5.6
97.02830	1.1
103.82999	0.4
111.00771	5.8
119.04904	8.5
120.05217	0.5
121.02842	100.0
122.03164	4.5
126.21165	0.4
129.01825	1.5
143.03389	1.0
163.03896	0.5
169.01358	3.4
173.00851	0.7
181.04979	55.7
182.05365	2.2
190.99713	0.6
192.00716	0.4
205.03497	1.4
211.77380	0.4
223.04593	1.7
235.73524	0.4
248.56787	0.5
346.53146	0.4
379.01743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1136
Annotation	Fumarofine
Peak:m/z	Relative Intensity
55.43494	0.6
59.01237	2.1
61.98697	0.8
69.33020	2.1
69.33443	2.9
71.01224	0.5
79.95574	0.5
119.04909	0.8
151.00204	0.8
198.05347	0.6
199.02667	10.9
227.02188	24.3
227.04474	1.2
228.02582	2.1
233.63237	0.6
241.03764	0.7
242.04462	0.8
255.01698	70.6
256.02151	6.8
266.04514	1.8
268.03690	0.9
270.04062	100.0
271.04422	8.3
281.06946	1.8
296.09247	1.3
318.07632	0.9
353.08929	3.2
368.11368	83.5
369.11740	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	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	4.3
57.03323	16.0
59.01247	16.0
68.99717	1.3
70.83264	1.0
71.01250	10.6
71.47271	2.0
72.99168	3.3
73.02820	3.6
75.00729	2.7
83.01270	9.7
84.02039	2.3
85.02820	90.1
85.27984	1.0
86.03139	1.6
87.00728	2.6
89.02324	1.9
91.98962	1.0
93.52138	1.1
98.87025	1.1
99.00726	1.0
101.02317	8.9
111.00757	30.9
111.01489	2.3
113.02317	1.4
119.04912	11.9
121.02839	45.1
122.03203	1.1
127.30624	1.1
129.01826	32.5
131.03438	1.4
134.73409	1.0
139.90936	1.0
143.03386	1.4
147.02890	3.0
149.02298	2.9
161.04439	3.0
163.00282	3.1
163.03888	5.1
163.07523	1.4
165.05441	1.8
181.04982	31.9
181.06555	1.9
182.05237	2.7
185.15193	0.9
187.02310	1.3
190.99763	4.9
191.01651	1.5
193.04977	1.3
205.03464	35.8
206.02122	5.6
206.03752	1.4
223.04533	100.0
224.04904	2.9
309.09637	1.2
369.08160	4.1
370.11273	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	11.8
59.01249	10.0
68.46452	1.4
69.03302	1.9
71.01244	9.4
71.04913	2.9
72.02029	8.9
73.02809	4.3
81.03329	2.0
83.04897	2.2
87.03852	2.4
87.04383	47.6
93.01498	1.2
95.04910	1.7
97.06477	4.9
99.04417	2.5
99.08024	5.2
107.04913	2.1
109.06438	3.1
111.00716	1.3
113.09595	37.4
123.04397	1.3
125.09577	1.6
127.11127	1.6
131.04884	2.5
134.03619	19.5
135.04341	1.5
139.07549	8.0
149.05984	12.3
153.09145	7.4
153.12755	4.4
173.05984	4.6
179.14326	4.8
181.15918	3.9
187.14899	1.9
189.54517	1.5
191.14328	1.7
195.13882	2.4
205.15884	8.4
205.19444	1.5
209.15431	7.4
217.05014	10.7
223.16971	23.3
224.17313	2.4
229.34969	1.5
251.23808	7.2
261.22177	4.3
277.21765	2.6
279.20221	1.0
279.23224	27.4
280.23593	2.1
287.23923	6.1
293.20282	1.5
293.24704	4.5
295.22821	6.0
305.24789	18.6
306.25082	2.8
307.10370	1.6
323.25885	100.0
324.26236	13.2
350.08905	1.3
367.11887	22.0
367.24930	6.6
368.12082	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	10.5
59.01248	25.7
64.80018	2.4
67.44070	2.6
71.01256	9.2
71.04868	3.1
72.02041	3.9
73.02821	5.5
79.95633	3.0
85.02832	3.0
86.72792	2.3
87.04385	37.7
89.02312	3.1
98.19674	5.1
98.60655	2.6
99.04430	5.6
99.08025	3.0
101.02355	2.5
108.02069	7.1
113.02321	3.0
113.09606	3.6
121.02845	9.5
125.09610	9.2
127.11173	9.2
138.66667	2.5
139.07568	8.4
140.82634	2.7
141.12769	6.7
153.09096	15.9
155.10678	20.0
161.42860	2.5
164.03397	6.4
167.10648	2.8
169.12250	8.3
171.10191	9.0
181.12323	5.0
199.13322	100.0
200.13568	5.1
205.19525	4.0
220.00754	2.8
228.06612	5.1
229.43045	2.8
235.09523	2.5
251.23720	5.2
261.22134	11.4
269.22717	2.8
270.03995	4.5
277.21579	4.0
279.23270	22.9
285.06415	2.4
287.23788	10.8
293.24750	3.0
295.22836	5.9
295.26099	2.3
305.24887	38.3
306.25220	5.2
307.10196	3.1
323.25894	37.5
324.26273	6.2
342.02945	2.4
344.08127	2.6
350.10175	3.5
367.11215	3.1
367.24918	12.6
368.11633	3.6
368.25165	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	367.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41632	0.6
57.03305	0.6
57.54727	0.5
59.01001	0.8
59.01252	10.1
62.25632	0.5
64.98090	0.5
69.59102	1.3
69.59523	2.4
71.01236	2.6
71.04844	0.6
72.46315	0.5
82.83817	0.5
85.02825	0.9
87.00751	0.6
89.02303	2.8
91.03873	13.9
93.03329	0.6
107.37888	0.6
111.08022	0.6
119.04866	0.6
120.23054	0.5
121.02827	1.9
171.10124	1.9
179.14328	1.8
195.13815	7.9
211.13129	0.7
217.05000	1.4
222.08623	0.8
223.09352	0.6
223.13344	6.5
228.13655	0.7
235.16920	0.8
238.06502	0.6
256.13083	2.1
275.20129	7.5
277.37119	0.7
293.21207	100.0
294.21548	9.3
305.24921	0.7
307.10287	0.8
309.20618	0.7
323.25793	1.0
331.18970	1.4
367.08182	2.4
367.24466	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	367.176
Annotation	Tagitinin A
Peak:m/z	Relative Intensity
51.91455	0.5
57.03310	0.6
59.01244	4.7
71.01250	4.0
73.02792	0.8
76.13532	0.6
79.05364	0.5
83.21910	0.5
85.02819	2.2
85.06471	1.3
87.04379	6.3
87.64288	0.5
89.02307	1.6
91.48383	0.5
95.04900	1.0
97.06461	1.2
98.20570	1.2
101.02291	0.8
107.08556	0.6
111.00773	0.6
119.04907	0.6
121.02831	1.4
123.04412	2.9
123.63905	0.5
125.05968	2.2
131.03351	0.5
134.07306	0.9
135.04414	2.3
137.05984	0.7
148.05203	5.5
148.08807	1.4
149.02321	1.2
149.04854	0.5
149.05968	3.0
150.06764	2.2
151.07544	33.7
152.07880	1.9
160.03979	0.9
161.04379	1.1
162.03136	1.2
163.03909	0.6
163.07486	3.7
163.90428	0.5
165.09100	0.5
168.05598	0.6
173.04410	0.6
175.00252	1.1
176.04607	0.5
177.05487	1.5
177.12730	2.8
178.06252	0.9
190.02666	3.0
193.08641	6.8
193.12279	3.6
199.13327	2.5
203.10701	5.3
205.05038	3.7
205.08627	23.1
206.09018	1.4
220.11037	4.0
221.11765	78.0
222.12119	5.4
222.46951	0.5
223.06088	1.4
229.08649	0.9
245.08243	1.1
247.09727	15.0
248.10008	0.9
264.09979	1.0
265.08047	1.1
265.10794	14.1
266.11087	1.5
323.18668	2.7
329.32407	0.6
349.16397	4.0
367.17569	100.0
368.17911	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	367.1761
Annotation	2alpha-Hydroxytirotundin
Peak:m/z	Relative Intensity
54.93475	0.3
59.01257	1.8
66.01255	0.3
67.01765	0.5
69.28756	0.8
69.29159	3.1
71.04885	0.4
75.37744	0.3
77.52630	0.3
87.04372	2.3
98.20603	0.5
107.04872	1.1
120.05640	0.4
123.04349	0.4
133.10138	3.7
135.04391	5.1
136.05069	0.5
145.06624	0.4
148.05171	0.8
149.05998	1.8
150.06775	5.6
151.07559	1.8
161.05975	15.6
162.06567	1.3
163.07544	3.5
173.06046	0.5
175.03903	1.2
175.07576	2.4
176.04634	0.7
176.08292	2.5
177.05482	1.5
177.09120	25.9
178.09471	1.7
183.11745	0.5
187.07585	1.4
188.08362	0.4
189.09129	9.1
190.02626	0.5
190.09581	0.6
191.10684	1.0
194.05730	1.6
202.09987	0.7
203.07079	8.8
203.10680	0.5
204.07690	1.1
205.05023	1.0
205.12274	1.9
208.03761	0.8
213.09209	0.9
217.08664	0.6
217.12294	3.2
219.10217	0.9
223.06059	0.8
226.04778	1.4
229.12256	3.1
230.12837	0.4
231.10255	1.2
233.08156	0.5
235.13350	21.2
236.13707	1.3
247.09850	0.6
247.13383	1.7
249.11301	1.6
261.11316	3.5
265.14456	1.3
279.12366	1.4
287.16458	3.2
288.16846	0.6
291.12494	0.9
305.17499	3.3
309.13638	0.4
323.18579	2.7
349.16522	1.3
367.17584	100.0
368.17935	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	367.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.2
64.68855	0.2
66.04546	0.2
68.99697	0.8
71.01268	0.3
71.23919	0.2
71.53387	0.3
85.02824	0.6
93.03340	0.6
96.95914	0.4
101.02287	0.3
103.03862	0.3
103.64155	0.2
104.44564	0.2
117.03345	5.7
121.02841	100.0
122.03175	3.2
157.06511	0.4
159.04419	0.4
173.06042	0.5
174.03166	0.3
174.65221	0.2
175.03934	1.9
185.02248	0.3
187.03969	1.1
190.02698	0.3
201.05516	0.3
205.05006	0.6
206.02118	0.3
227.07059	1.6
229.04987	2.1
231.02898	0.3
239.07159	0.6
245.08144	6.1
246.08461	0.4
247.06071	0.6
249.04141	0.6
265.38440	0.2
268.03738	1.3
269.04257	0.3
281.04672	0.7
293.08420	0.2
295.06064	0.4
307.10339	0.3
321.07608	0.7
339.08728	0.5
349.07098	3.8
350.07458	0.4
367.08157	22.1
368.08389	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	367.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	3.7
57.03307	3.1
58.00461	1.7
59.01247	57.5
71.01249	39.1
71.51946	1.9
72.99165	2.7
73.02817	15.9
83.01250	10.0
85.02820	25.6
87.00745	3.9
89.02317	9.5
93.03311	1.8
95.01251	2.4
97.02850	1.7
99.00741	6.1
101.02317	43.3
111.00761	1.8
113.02333	15.2
113.12119	1.3
119.03408	1.4
119.04839	1.9
125.02322	2.3
129.01791	1.9
131.03413	2.3
134.03624	17.8
136.99011	1.5
143.03387	2.0
145.02840	1.5
146.02338	1.4
159.02881	4.2
161.04451	16.9
173.04425	3.2
191.05507	5.1
193.04984	22.6
205.03357	1.3
221.10271	2.0
235.11821	100.0
236.12129	6.0
261.13425	1.2
265.12848	3.1
307.14148	1.6
367.10748	2.3
367.16040	29.4
368.16919	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	367.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90025	0.9
57.03299	0.8
59.01244	3.4
61.98703	0.7
65.00189	6.1
67.67338	0.7
71.01244	0.7
71.52720	1.3
92.39294	0.8
97.21102	0.7
103.05397	2.2
103.26827	0.7
105.06983	2.4
107.04921	8.0
108.02040	2.4
113.09614	2.5
123.04379	1.6
124.46840	0.6
129.06967	2.5
131.04930	8.9
134.03619	66.6
135.04451	8.1
149.05977	53.4
150.06337	1.6
158.03621	0.9
161.02335	0.9
161.04364	0.7
172.05296	1.3
173.05981	15.3
174.03101	1.3
174.06334	1.1
175.03928	4.2
187.04030	1.1
188.04608	0.9
189.05489	1.4
191.07043	1.4
199.03961	0.8
199.13338	1.3
201.01862	0.8
201.05501	0.7
203.03433	0.8
215.03308	1.1
217.04996	51.2
218.05363	2.9
230.05742	1.1
231.06519	4.2
243.06593	1.6
262.04800	1.1
293.21210	24.1
294.21375	1.4
307.09998	1.3
323.25876	0.9
330.05588	1.6
339.08804	1.9
346.18704	0.9
352.09589	0.8
367.11816	100.0
368.12137	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	367.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.9
58.00451	1.1
59.01250	30.0
60.01574	0.9
60.99166	1.5
67.01770	6.7
69.03332	2.8
71.01257	17.2
72.99181	1.3
73.02809	1.2
73.32530	0.7
76.50538	0.8
81.03352	1.7
83.01234	1.9
83.04906	1.4
85.02828	10.3
87.00733	1.5
89.02320	11.0
92.31487	0.8
93.03335	34.5
98.20688	1.2
101.02309	6.2
109.02875	1.9
111.00764	4.1
111.04397	7.1
113.02345	6.7
117.03326	2.3
119.03406	5.3
119.58243	0.9
127.03908	1.0
129.01842	1.0
134.03630	31.9
134.04660	1.9
137.02342	4.7
145.02808	1.2
145.64911	0.9
147.02899	0.9
149.02397	1.2
149.05959	2.9
155.03378	4.3
160.01665	1.2
163.03937	2.2
173.04469	100.0
174.04808	3.3
175.03879	1.5
187.03954	2.5
191.01895	2.5
191.05536	20.6
193.04974	17.4
205.12283	1.4
215.98262	0.9
223.13271	1.5
367.10266	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	367.1031
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
57.03306	1.7
59.01245	7.0
60.99163	0.6
60.99979	0.4
67.01754	4.8
67.59724	0.4
69.03311	1.2
69.62691	2.4
71.01248	5.0
72.99165	0.7
73.02807	0.9
81.03327	0.8
83.01259	0.8
83.04911	0.9
85.02816	8.1
87.00755	1.0
89.02330	0.6
93.03330	29.7
94.03662	0.8
95.01269	0.6
97.02805	0.5
99.00778	0.5
99.04389	0.6
101.02323	1.7
103.03902	0.6
109.02834	1.3
111.00766	3.2
111.04401	5.0
113.02286	0.5
117.03364	2.4
119.04926	0.9
121.02782	0.4
125.02331	0.8
127.03865	0.7
129.01813	0.5
134.03633	20.6
135.03946	0.8
136.07628	0.4
137.02345	5.3
143.03497	0.6
145.02867	0.7
147.02882	1.6
149.05977	1.6
151.03998	0.4
155.03416	4.6
160.01576	1.1
161.04480	0.5
163.03932	1.1
163.07532	0.8
173.04466	100.0
174.04802	3.2
175.03929	1.6
177.05470	0.5
179.03439	0.4
179.32907	0.4
180.64650	0.3
191.01889	2.6
191.05515	6.3
193.04990	17.2
194.05357	0.9
203.10687	0.5
291.91757	0.4
367.10394	2.8
367.17419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.4
62.52206	0.2
63.47686	0.2
65.00182	0.3
68.99680	3.9
69.19556	1.5
69.19976	0.9
78.48677	0.2
83.01222	0.3
92.99686	0.7
93.03323	0.4
109.02773	0.2
111.00770	0.2
111.04379	0.4
117.03340	29.4
118.03681	1.1
119.04905	0.4
121.02837	1.4
131.04898	0.4
135.04411	0.8
148.01509	0.3
157.06500	1.4
159.04404	0.9
161.02325	0.4
173.06036	1.2
175.03975	0.3
176.01074	0.6
177.05489	0.3
185.02351	2.5
185.05988	0.5
186.02861	0.4
187.03928	0.3
201.01836	0.4
201.05493	1.7
203.03426	0.7
205.05005	0.8
211.03847	0.4
219.06561	0.5
227.03445	0.6
229.05008	11.8
230.05409	0.7
231.02966	3.0
232.03490	0.4
236.95190	0.2
239.03444	0.3
240.04190	0.4
245.04462	0.6
247.06055	2.4
249.03987	2.8
249.09163	0.5
262.06335	0.3
267.02884	0.5
268.03729	6.0
269.04376	0.7
277.05130	0.4
277.08603	0.7
281.04550	4.2
282.04977	0.5
293.08130	1.1
295.02780	0.5
295.06091	1.1
296.03183	0.7
296.06812	1.6
303.06583	0.4
305.04630	0.3
305.08102	0.4
306.05264	0.4
309.03973	0.4
319.06168	0.4
321.07639	3.2
323.05551	0.6
324.06403	0.5
334.04752	0.3
335.05652	0.4
339.08673	0.7
347.05588	0.7
349.07126	17.9
350.07434	2.0
356.05099	0.3
365.06638	1.3
367.08179	100.0
368.08521	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	367.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.4
59.01245	3.6
64.32287	0.4
65.00190	0.4
67.01769	3.0
71.01251	1.2
72.99174	26.9
73.02820	3.5
74.47411	0.4
75.00706	0.5
78.09388	0.5
80.96361	0.8
81.03320	0.5
83.01254	4.5
85.02818	9.1
87.04398	0.8
89.02305	0.8
97.02870	0.6
99.00751	3.2
99.04398	1.1
101.02322	3.0
107.04925	0.6
109.02798	0.5
111.00758	100.0
112.01083	2.6
113.02332	0.5
115.03886	1.3
119.04918	1.8
121.02844	0.5
123.04420	0.7
129.01820	4.0
134.03650	2.3
135.04407	49.5
136.04681	2.1
143.03380	6.4
150.06645	0.4
151.07539	4.6
154.99765	16.2
156.00156	0.5
161.04405	0.4
163.03926	1.2
166.98375	0.4
169.01332	1.8
173.00824	29.5
174.01114	0.6
179.03409	27.1
180.03741	1.5
183.37785	0.4
187.02420	0.8
193.08650	0.8
203.10658	1.0
205.03462	49.9
205.08580	3.3
206.03816	1.4
221.11765	11.5
222.12129	0.7
229.12291	0.6
247.09856	2.3
265.10825	2.4
295.15271	0.5
323.18530	0.5
349.16467	0.4
367.13107	0.6
367.17575	11.4
368.17880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0816
Annotation	Artoindonesianin P
Peak:m/z	Relative Intensity
54.15863	0.4
59.01240	2.2
65.00175	1.3
69.47988	0.9
69.48392	2.3
71.01215	0.4
86.02250	0.4
86.07926	0.4
89.00191	2.3
93.03342	0.5
114.71240	0.4
117.03333	13.8
118.03696	0.7
119.04948	0.6
121.02845	0.6
131.01265	3.3
135.04440	0.4
149.02341	0.5
157.06514	0.6
159.04399	1.4
161.02347	1.3
161.05803	0.6
163.00322	0.4
173.05928	1.0
175.00278	6.5
176.98170	3.3
177.05479	0.5
178.99794	0.5
183.04408	1.2
185.02350	1.7
189.01851	1.2
190.99785	0.8
195.04390	0.6
196.05145	0.4
201.05566	2.2
203.03619	0.7
203.07117	1.1
205.04980	1.5
207.04506	0.7
209.02451	0.4
219.06627	0.6
223.03908	1.4
225.01971	0.6
227.03432	1.2
229.04994	0.8
240.04239	0.6
247.06076	1.0
249.03990	1.2
251.03461	1.7
253.01347	1.4
255.01735	1.0
267.02969	0.9
268.03726	10.7
269.04483	4.1
270.04105	1.3
281.04596	1.5
285.06384	0.7
293.08246	0.9
295.02454	20.7
295.05698	0.7
296.02887	1.7
296.06393	0.5
297.03943	0.8
307.10602	0.4
309.04047	4.8
309.07324	0.7
310.04642	0.4
311.01944	0.4
321.07632	11.0
322.07785	1.4
323.06009	0.6
323.09195	3.3
324.09448	0.6
339.08627	3.6
349.06995	1.4
367.08154	100.0
368.08456	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	366.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78065	0.2
57.03322	0.2
58.66978	0.2
59.01246	1.4
61.23741	0.2
66.67046	0.2
69.92101	1.2
69.92382	0.3
71.01268	0.4
73.02799	0.2
100.78769	0.3
102.84573	0.2
106.06893	0.3
110.69194	0.2
116.04939	4.5
131.03604	0.2
132.04471	0.3
159.03154	0.6
160.03940	100.0
161.04276	5.0
165.13873	0.3
181.72620	0.2
191.19765	0.2
204.02965	4.6
215.79599	0.2
338.59991	0.2
340.17850	0.2
366.08255	18.2
367.08374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80368	0.4
55.01757	0.4
59.01239	1.5
67.01759	3.3
69.03268	0.4
69.27701	1.8
69.28146	1.6
71.01263	1.3
72.99179	27.4
73.02811	3.9
73.11185	0.3
83.01260	4.4
85.02820	8.6
93.03373	0.4
94.28288	0.4
97.02824	0.8
98.84952	0.4
99.00758	3.0
99.04395	1.3
101.02319	2.9
106.04137	1.2
107.04909	1.4
109.02833	0.5
111.00763	100.0
112.01102	2.0
114.01386	0.3
115.03908	1.7
119.04843	0.4
121.02853	1.0
129.01845	3.7
132.52875	0.4
134.03662	2.9
135.04413	52.2
136.04762	2.2
143.03395	6.6
149.02362	0.8
151.07619	2.5
154.99765	14.9
161.06041	0.4
161.09662	1.3
163.07555	1.2
164.04628	0.9
169.01315	2.2
173.00829	32.1
174.01147	1.1
175.00311	1.2
179.03418	35.1
180.03703	2.0
187.02396	1.2
190.02654	1.9
205.03456	62.0
205.08614	2.0
206.03827	2.5
223.06023	1.3
235.13316	0.4
265.10681	0.4
284.66281	0.4
349.10727	0.4
367.10114	1.3
367.17523	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	365.2694
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01250	3.8
69.03659	0.5
71.01260	0.7
71.09672	0.6
71.10011	1.0
85.06460	3.7
95.92171	0.5
105.93020	0.5
115.47180	0.5
118.37943	0.6
124.79330	0.5
126.81346	0.5
199.13318	1.9
206.02094	0.8
229.08638	1.5
251.20172	0.5
261.18655	1.4
279.19641	18.0
280.19907	1.6
306.17703	0.6
331.60330	0.6
347.25897	14.0
348.26083	1.9
363.25217	0.7
365.26935	100.0
366.27246	13.9
389.65494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54098	0.4
71.00634	0.7
71.00973	1.0
110.61202	0.5
115.85954	0.5
116.04935	1.0
160.03937	100.0
161.04303	4.0
166.94119	0.4
204.02972	12.4
205.45403	0.5
366.08252	57.9
367.08609	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83908	1.7
57.03328	22.2
59.01256	22.3
69.03329	20.8
70.39325	5.6
71.01243	5.2
71.04883	7.9
74.20438	1.4
81.03348	5.1
83.04913	12.1
84.02057	4.8
85.02831	26.3
95.01219	1.8
95.04893	3.1
97.02824	59.5
97.06448	3.6
99.04387	10.3
99.08026	34.5
101.05968	9.5
107.04911	1.9
107.08535	12.7
109.02827	2.3
109.06474	2.0
113.02305	1.8
117.03352	4.8
121.10114	5.9
122.03645	4.1
123.08012	3.8
125.05991	9.1
127.11167	17.5
129.09093	2.5
133.06441	1.8
133.10107	2.1
135.04416	2.3
135.08038	2.3
135.11720	14.5
137.05969	2.0
137.09599	3.9
139.11183	57.7
140.11545	2.7
151.07578	3.5
155.10674	4.7
157.12242	39.9
158.12540	2.2
160.03952	2.7
160.08806	2.5
161.09621	2.0
163.11143	6.2
179.10716	4.4
185.13191	2.3
201.12787	2.1
203.10744	5.1
203.14351	16.0
207.10126	8.0
219.13812	3.2
221.15390	3.7
225.11394	2.5
245.04601	2.4
247.02455	3.3
247.13326	17.3
265.14401	20.7
291.19666	7.2
329.23489	1.6
335.18256	1.6
350.04056	1.8
365.06573	16.1
365.23306	100.0
366.23526	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	365.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.3
57.07042	0.4
59.01253	6.5
66.09594	0.3
68.35981	0.4
70.34536	1.4
71.01235	0.8
79.95633	0.6
83.04892	0.7
90.55033	0.4
93.03358	0.5
95.04895	0.6
97.06466	0.6
109.06487	0.4
111.08040	9.1
112.08451	0.4
121.10115	2.6
125.09618	2.1
137.09572	0.8
163.11212	0.5
167.10684	2.3
177.12737	1.7
179.10701	1.0
185.11749	2.5
195.13829	5.6
196.14124	0.6
197.11719	1.1
203.14366	0.7
209.11758	0.9
234.11963	0.4
236.15213	0.5
247.20667	1.9
267.07623	0.8
273.18597	1.8
277.93127	0.4
289.18115	0.6
291.19659	100.0
292.19955	8.2
365.10513	0.7
365.15009	1.8
365.23288	1.2
366.09775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30172	0.3
57.03318	1.0
59.01249	8.6
66.81447	0.3
71.01250	1.0
71.53178	0.4
74.10568	0.4
79.95616	0.5
83.04910	0.9
89.02281	0.7
91.03870	0.5
95.04892	0.6
96.95894	0.4
100.89777	0.3
109.06519	0.5
109.66324	0.4
111.08038	9.6
111.08807	0.6
113.09636	0.5
121.10179	0.4
135.11635	0.4
137.09608	0.9
139.11177	0.3
149.09633	0.4
160.03979	0.5
167.10626	2.1
177.12819	2.2
179.10677	1.5
195.13820	6.3
196.14214	0.6
247.20630	2.5
248.21312	0.4
273.18680	1.8
291.19653	100.0
292.19974	9.3
365.09628	0.5
365.23395	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59324	0.3
56.24711	0.4
59.01249	100.0
60.01585	1.2
71.01246	2.8
72.99192	0.4
73.02842	0.4
83.01273	0.7
85.02821	3.6
87.00777	1.2
89.02336	1.2
93.03368	0.8
95.01273	0.5
98.19804	0.8
101.02348	1.6
103.03879	2.4
111.00796	0.5
113.02361	1.1
130.02994	0.4
135.04448	0.4
136.01537	0.7
137.02391	1.6
143.80139	0.4
160.03983	1.1
161.02383	1.0
161.04562	0.4
175.02211	0.8
179.03496	1.0
192.05296	0.9
197.11922	0.5
219.01341	0.7
229.10115	0.4
239.05663	0.5
241.07164	1.0
259.04309	2.4
265.09375	0.9
277.05362	1.0
286.07114	0.9
356.17114	0.4
365.07312	0.8
365.11862	1.8
365.19800	0.7
365.62192	0.6
367.83167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17052	0.7
57.03317	1.0
59.01245	18.6
61.98692	0.7
71.01256	1.7
71.25115	0.7
71.52152	0.7
71.52641	1.1
72.99191	0.8
73.02814	2.9
85.02805	1.3
89.58873	0.8
93.03323	2.2
96.95861	1.1
97.06528	0.8
101.02335	1.2
107.04908	2.2
113.02329	1.6
113.04255	0.8
119.04917	1.0
119.40697	0.7
133.02867	1.8
134.03629	1.9
143.10664	1.5
160.03929	2.3
161.02275	1.1
166.02635	2.1
171.07997	1.2
173.05997	1.6
174.06755	1.8
175.03894	1.5
176.04712	1.9
177.09175	0.8
187.03883	1.4
189.09125	100.0
190.09456	6.1
203.10638	4.9
208.03677	1.7
213.05360	1.3
229.08649	6.0
231.10202	93.6
232.10547	7.3
263.12857	27.6
264.13159	2.4
279.79926	0.9
280.59799	0.8
291.19623	7.5
292.05969	0.8
305.12454	1.1
309.04074	2.4
316.20789	0.8
321.07556	2.4
322.08484	2.1
333.07602	1.7
333.17026	16.0
334.17441	1.4
335.05576	3.5
336.05707	1.1
349.06976	1.4
350.07928	10.7
351.08218	1.3
365.10413	18.7
365.14554	4.1
365.19427	13.3
365.23471	2.2
365.27051	2.4
366.10452	3.1
366.15259	1.1
366.19907	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	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20641	0.6
55.25355	0.6
57.03316	1.2
58.00461	0.7
59.01248	100.0
60.01583	1.1
61.82230	0.7
69.69881	1.9
69.70311	1.9
71.01250	21.5
72.99168	1.2
73.02820	5.4
83.01270	2.7
85.02821	6.6
87.00764	2.4
87.04398	0.8
89.02317	12.0
89.02839	0.9
92.26643	0.6
95.01273	1.3
99.00772	1.2
101.02312	13.8
103.03923	1.3
113.02325	11.2
119.03407	4.9
125.02320	0.9
143.03416	1.2
143.08325	0.6
158.06366	0.6
159.02948	0.8
159.10191	2.6
161.04451	5.2
161.11792	5.2
179.05515	1.0
185.08020	0.6
203.12941	0.8
259.32645	0.7
265.09262	1.5
305.16058	10.0
307.10364	1.3
323.17065	26.5
324.17657	1.4
327.09882	0.6
335.96585	0.8
365.14459	1.8
365.18341	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	365.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04001	1.0
53.68715	0.9
54.93193	1.0
55.06936	0.8
57.03314	7.0
58.00440	1.2
59.01247	58.1
63.48001	0.8
69.03325	1.5
69.69387	3.3
69.69791	2.2
71.01253	21.7
71.04887	1.1
73.02814	27.8
75.00735	1.4
83.01253	10.5
85.02815	25.1
85.03294	1.9
87.00745	1.6
89.02307	8.4
99.04379	3.1
101.02320	23.8
103.03883	43.2
104.04221	1.5
113.02319	11.2
117.05455	47.2
119.03374	3.7
131.03360	1.9
143.03358	1.9
145.04936	2.5
159.06537	4.9
161.04445	3.2
165.83769	0.9
168.55447	0.9
189.07666	1.8
234.65126	0.9
247.08179	5.9
250.55688	1.0
251.20003	1.1
265.09259	23.2
266.09402	1.4
281.69781	1.0
307.10327	39.8
307.13943	2.0
308.10892	2.5
323.17096	1.5
347.13123	1.5
365.14465	100.0
366.14880	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	365.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.6
57.03323	1.1
58.00460	0.6
59.01249	100.0
60.01572	1.2
60.62846	0.4
69.03323	0.4
69.42670	1.0
69.43085	2.4
71.01250	19.5
72.99186	0.7
73.02815	4.9
81.40363	0.3
83.01268	1.9
85.02824	8.2
85.03300	0.6
87.00754	1.7
87.04427	0.8
89.02318	10.8
93.51596	0.4
95.01260	1.3
96.35439	0.4
97.65707	0.4
99.00788	1.1
101.02320	12.6
103.03867	3.9
111.87881	0.4
113.01545	0.5
113.02324	9.1
113.03072	0.6
117.05457	1.9
117.79480	0.4
119.03379	4.3
125.02323	0.5
143.03447	1.4
157.19548	0.5
159.02914	0.6
159.10222	1.1
161.04442	4.8
161.11711	4.4
179.05566	0.9
184.07629	2.9
185.07941	6.2
189.63812	0.5
203.12807	0.4
247.08167	2.6
265.09235	3.2
305.16058	6.8
306.16144	0.5
307.10327	5.0
323.17062	23.0
324.17551	1.2
337.88065	0.4
365.10349	0.7
365.14215	3.2
365.18408	2.4
366.15082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.7
57.03328	1.1
59.01249	100.0
60.01598	0.6
69.03320	0.6
71.01251	59.9
71.04861	0.6
71.52879	0.5
72.01592	0.8
72.99172	0.7
73.02819	5.4
75.00745	0.6
83.01265	2.7
85.02818	9.9
85.03296	0.7
85.99966	1.4
87.00753	4.4
87.04396	1.5
89.02312	3.3
91.75868	0.4
95.01249	1.1
97.02837	0.8
99.00743	2.9
101.02320	12.3
101.05949	1.8
103.03903	1.9
111.00764	0.5
113.02325	6.7
117.05453	2.7
119.03363	1.5
125.02296	0.9
129.05453	2.4
138.28015	0.5
139.21692	0.4
143.03331	0.8
147.06532	14.9
148.06819	0.5
159.02820	1.4
160.03889	2.5
161.04474	6.6
173.08125	3.3
201.07607	2.8
245.10222	3.0
247.07816	0.4
251.11203	0.7
263.11328	13.0
276.85718	0.5
291.10669	1.1
305.12418	2.3
305.15265	0.5
306.12473	0.5
365.14294	2.8
365.17975	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32166	0.6
51.35234	0.5
53.14309	0.6
55.01758	0.7
57.03317	3.9
58.00463	1.3
59.01249	71.9
60.01601	0.7
61.34309	0.5
69.03310	1.7
70.64241	1.1
70.64562	0.7
71.01249	25.8
72.01558	0.9
72.99172	0.9
73.02815	35.6
75.00753	1.0
81.03285	0.6
83.01254	10.8
85.02820	31.7
86.03167	0.8
87.00751	1.8
87.04396	1.4
89.02324	9.7
95.01267	1.4
97.02773	0.7
99.00750	2.1
99.04381	1.8
101.02322	28.9
101.05885	0.7
102.02686	1.0
102.21952	0.6
103.03887	49.6
104.04262	0.9
105.72961	0.6
113.02331	12.8
114.02725	0.7
117.05460	49.9
118.05774	1.8
118.56883	0.5
119.03400	4.3
125.02335	0.7
131.03407	3.0
143.03381	1.0
145.04961	2.0
159.06523	5.4
161.04459	2.4
165.36290	0.5
179.05554	0.8
189.07565	1.6
204.47665	0.6
226.18076	0.7
247.08208	5.8
265.06427	1.3
265.09271	23.8
266.09610	1.7
307.10345	33.4
308.10681	1.8
321.11862	0.7
323.16995	1.6
347.13486	1.7
365.14490	100.0
366.14914	9.9
379.96863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79210	2.5
56.46369	2.1
59.01249	82.9
70.81779	4.7
70.82115	4.5
71.01258	12.3
71.26260	2.3
73.02831	2.9
84.19168	2.7
85.02821	5.0
89.02327	5.3
101.02327	7.0
101.42542	3.1
103.03879	3.1
113.02334	6.7
159.03093	2.5
160.03944	100.0
191.05559	4.2
192.04338	2.6
204.02933	4.4
236.96082	2.3
265.09192	7.0
299.66989	2.4
299.70670	2.5
323.17026	3.3
365.08862	2.7
365.14191	2.6
366.08319	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
67.67696	0.3
69.43120	0.3
71.29374	0.4
71.29709	0.4
78.87440	0.3
111.00636	0.5
122.72284	0.4
123.00715	0.4
124.01467	0.8
132.01996	1.6
133.02843	6.9
147.04320	0.5
149.05901	0.4
150.03088	0.4
171.04437	0.5
172.05119	1.0
173.02373	0.7
173.05931	2.2
175.00235	0.4
177.01736	1.1
187.03853	0.6
189.01964	0.3
189.05377	0.4
191.07024	0.5
197.06018	0.4
199.03868	1.4
201.01814	0.7
213.05505	2.3
215.07118	0.8
217.05067	0.9
241.05106	0.4
243.02835	0.4
265.04999	0.5
267.02859	1.2
279.02899	0.9
279.06421	0.4
281.04538	1.9
292.03983	0.8
293.04788	0.5
293.08127	1.5
304.07742	0.5
305.08124	1.2
307.06061	5.1
309.04022	8.9
310.04352	0.8
320.03204	0.4
321.07635	7.8
322.08347	8.1
323.08789	1.0
332.06946	0.5
333.07608	4.3
335.05609	16.8
336.05899	0.6
349.07108	5.0
350.07919	49.8
351.08282	4.4
354.07550	0.7
365.10263	100.0
366.10583	10.1
366.14886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1026
Annotation	Racemoflavone
Peak:m/z	Relative Intensity
59.01246	8.0
63.94320	0.4
63.96838	0.5
65.00186	0.5
71.01226	0.8
96.95898	0.9
111.00768	1.0
113.02350	0.5
123.00743	1.1
124.01517	1.1
132.02048	1.8
133.02840	9.7
159.04494	0.5
160.03911	1.1
161.02251	0.5
172.05139	1.1
173.02345	0.8
173.05986	2.6
175.00244	0.6
175.03868	0.8
177.01782	1.1
189.09143	0.6
199.03914	1.8
201.01997	0.8
213.05542	2.4
214.06113	0.6
215.06990	0.6
217.05070	0.7
263.20132	0.9
267.02951	0.8
273.18726	0.6
275.07162	0.5
277.08875	0.6
279.02988	1.0
279.06558	1.0
281.04538	1.7
291.19638	5.5
292.03714	0.7
293.04642	1.0
293.08139	0.8
305.08340	1.1
306.05161	0.5
307.06082	5.4
309.04074	11.0
309.07678	0.8
310.04529	1.1
320.03430	0.6
321.07654	8.7
322.08423	8.3
323.08905	1.0
333.07666	6.1
334.08389	0.5
335.01575	0.9
335.05603	17.9
336.05826	1.4
349.07175	5.7
350.07916	52.4
351.08246	4.6
365.10257	100.0
366.10608	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	365.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61609	0.4
54.23331	0.5
56.39979	0.5
57.03307	0.8
59.01247	4.3
59.61635	0.4
70.27387	0.9
70.27734	1.4
71.01254	0.8
87.04382	1.0
93.03321	1.0
95.01273	0.7
96.95821	0.6
104.02547	0.6
105.03313	0.6
109.02822	0.7
111.00767	0.8
113.09616	2.8
117.03358	0.5
119.04866	0.6
123.00762	0.7
124.01514	1.1
131.04918	0.6
132.02031	2.1
133.02843	13.6
145.02849	0.9
147.04407	0.8
159.04318	0.5
165.78850	0.6
171.04347	0.8
172.05202	1.7
173.02426	0.7
173.05960	2.8
175.00233	1.0
175.03912	0.7
177.01836	1.1
187.03909	0.7
191.84865	0.5
197.05952	0.7
199.03926	2.2
201.01875	1.4
211.03947	0.6
213.05510	3.0
214.02736	0.6
215.03476	0.8
217.04999	1.2
227.03381	0.6
235.15205	0.9
237.05525	0.6
239.03398	0.7
245.08147	2.8
249.09059	0.6
251.03505	0.5
251.07019	0.6
263.07001	0.9
265.05115	0.7
267.02869	1.8
277.08554	0.6
279.02954	2.0
279.06509	0.8
280.07181	0.6
281.04556	2.2
291.06570	0.5
292.03778	1.1
293.04495	1.7
293.08191	2.9
294.05255	0.6
305.08215	2.0
307.06082	7.2
308.06198	0.7
309.04068	14.2
309.07339	1.0
310.04260	0.9
313.82156	0.6
320.03522	0.6
321.07642	11.3
321.11456	0.6
321.24356	5.2
322.08377	12.1
323.08817	1.0
333.07642	8.0
334.04553	0.9
334.08157	0.8
335.01538	1.1
335.05576	21.7
336.05887	1.9
349.07181	8.0
350.07913	63.9
351.08267	5.8
365.10254	100.0
366.10580	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	363.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.8
60.27606	1.4
71.04868	1.3
71.08486	2.4
73.02811	7.8
83.04861	2.3
87.04386	3.9
107.04903	8.3
119.04908	4.6
130.18806	1.3
147.04378	4.2
159.04395	3.8
160.05209	1.3
161.06004	3.3
162.03113	1.4
173.06018	6.5
175.07629	1.7
185.05942	1.6
187.03934	18.6
187.07523	8.3
188.04726	8.0
189.05421	1.8
201.09149	3.2
203.07118	2.5
203.10768	1.6
205.08577	12.4
211.11267	1.7
213.09148	49.5
214.09523	2.2
215.07216	2.7
218.09445	2.2
219.06497	2.0
227.07028	3.1
227.10652	1.5
229.08554	4.1
229.12280	16.5
231.10210	61.4
232.10579	2.9
241.12479	3.0
243.10269	1.9
245.08130	14.1
245.11815	2.0
246.08578	2.4
247.09734	3.7
255.10268	7.3
257.15390	1.4
259.13345	5.0
271.13342	2.8
273.11325	21.9
274.11526	1.9
278.11633	2.4
287.13080	1.7
287.16522	4.4
289.14456	6.0
301.14331	2.5
305.13947	6.8
331.15491	100.0
332.15805	8.5
363.18118	43.6
364.18445	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	363.1811
Annotation	Phorbol
Peak:m/z	Relative Intensity
53.12865	1.0
53.46177	1.0
58.56507	1.1
59.01239	1.2
61.24937	1.2
62.17146	1.0
64.15690	0.9
71.21564	2.3
73.02817	3.6
77.89666	0.9
85.06493	1.1
87.04402	7.3
98.70516	1.0
100.71257	1.0
114.77723	0.9
119.04900	2.5
121.02852	2.5
135.04442	2.8
147.04430	4.3
159.08112	1.5
160.05200	5.5
161.05942	4.6
162.03172	3.6
173.05998	1.4
174.03099	2.5
175.03975	6.0
175.07545	2.4
185.90874	1.1
187.03966	2.7
188.04730	19.6
189.05200	1.2
192.04178	4.6
201.05377	1.4
201.08907	1.3
202.06262	4.1
203.07030	4.0
203.10672	1.9
205.08653	23.0
206.09006	1.2
207.06435	1.2
213.09207	2.0
215.03477	2.4
218.09465	1.2
219.10152	2.2
229.08627	1.8
229.12242	1.6
230.05701	3.3
231.10219	79.7
232.10541	5.6
243.10239	3.8
245.08177	22.8
245.11781	2.9
246.08626	1.4
247.09702	2.8
255.10257	1.8
259.13318	5.4
262.08405	2.8
271.13309	1.2
273.11313	31.3
274.11612	3.1
278.11432	4.3
287.12949	2.6
289.14441	6.7
305.13907	5.5
331.15488	100.0
332.15805	9.8
363.18124	30.4
364.18417	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	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.3
57.03323	2.5
58.00463	1.3
59.01248	100.0
60.01580	0.9
66.01788	0.7
69.68953	2.6
69.69374	1.4
71.01248	24.7
72.76701	0.7
72.99193	1.8
73.02811	10.2
81.03309	0.6
83.01266	3.6
85.02821	10.8
87.00761	1.7
87.04400	1.5
89.02310	12.6
95.01270	2.7
97.02840	0.9
99.00759	1.9
101.02316	17.4
103.03911	1.6
111.00818	0.9
113.02319	9.1
115.03916	0.8
119.03374	3.1
125.02392	0.7
125.05992	1.5
131.03397	1.0
143.03444	1.6
159.02866	1.1
159.10191	4.9
161.04439	8.9
161.05653	0.7
179.05554	1.7
183.10167	3.2
184.07620	1.2
235.25064	0.8
251.85550	0.7
273.85529	0.7
285.13431	0.8
303.14426	6.7
304.14755	0.8
321.15488	22.1
322.16003	1.5
363.16852	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45781	0.5
53.81586	0.5
54.06030	0.5
59.01251	100.0
60.01591	1.2
60.78059	0.5
69.35964	0.8
69.36371	4.1
71.01241	0.6
74.62506	0.6
87.65208	0.6
108.96413	0.6
111.36973	0.5
117.43101	0.6
132.28543	0.6
145.95264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14751	0.8
55.01764	1.4
57.03319	1.1
58.00463	2.7
59.01249	100.0
60.01579	0.9
61.45131	0.6
69.03314	1.4
69.37827	5.3
71.01250	52.5
71.04891	1.1
72.01606	1.1
72.99173	1.8
73.02817	53.4
74.03179	0.7
79.13432	0.6
81.03329	0.9
83.01256	15.6
85.02819	9.4
87.00780	2.3
89.02316	21.6
89.02837	1.2
95.01250	2.6
97.02860	1.1
99.00762	2.0
101.02321	48.2
113.02323	14.5
113.09578	3.1
114.02662	0.7
119.03392	9.8
125.02364	1.4
131.03404	2.7
141.09113	22.5
142.09486	0.7
143.03429	2.4
149.04466	1.1
155.03365	1.2
159.10162	9.2
161.04420	4.6
166.82101	0.8
211.02516	0.7
220.87163	0.7
229.16617	0.6
264.86743	0.6
303.14474	14.2
304.15179	0.9
321.12439	0.8
321.15515	56.2
322.15784	4.7
363.16583	60.5
363.23859	1.5
364.16898	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72142	0.5
59.01248	100.0
60.01591	1.6
69.03323	0.5
69.43109	1.2
69.43507	4.1
71.01250	6.8
73.02816	2.5
83.01283	1.1
85.02824	3.1
87.42479	0.5
89.02312	2.7
91.63657	0.6
95.01285	1.4
98.20538	1.0
99.00780	0.9
101.02303	2.7
109.83511	0.5
113.02307	4.2
141.09135	2.3
158.03648	3.1
159.10236	1.5
225.07202	0.6
281.23575	0.6
303.14520	5.4
304.14880	0.8
321.15625	2.4
339.59140	0.6
363.16656	3.1
363.24008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06345	1.1
57.03320	2.9
59.01248	100.0
59.90596	1.1
60.01583	1.5
63.47893	1.2
68.02670	1.2
69.45756	6.3
69.46172	2.7
71.01246	22.8
71.04895	2.5
73.02820	10.7
83.01246	4.0
85.02825	10.2
87.04377	2.3
87.72273	1.4
89.02316	12.0
95.01251	2.0
95.04943	1.2
97.02845	2.1
99.00716	2.0
99.04375	1.2
101.02322	21.8
103.03903	9.1
112.49966	1.4
113.02293	9.6
115.03892	4.4
119.03384	5.5
122.41273	1.2
140.51534	1.2
143.03386	2.6
159.10173	5.7
160.03931	3.3
161.04442	9.7
177.75539	1.5
179.05515	1.5
183.10205	3.3
265.09323	7.3
303.14438	5.1
321.15500	22.0
322.15637	1.3
363.12744	11.8
363.16623	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19652	0.9
55.01760	1.1
57.03310	0.9
58.00456	2.7
59.01249	100.0
60.01577	1.3
69.03335	1.7
69.42890	3.8
69.43305	2.3
71.01250	59.1
71.04867	1.0
72.99193	3.8
73.02817	48.7
74.79915	0.8
79.95639	0.7
83.01261	15.2
85.02813	10.4
87.00767	4.8
89.01759	1.2
89.02313	24.8
95.01263	3.4
99.00750	1.9
101.02319	52.9
102.02655	0.7
107.40185	1.0
113.02322	18.3
113.09615	2.1
119.03391	10.1
123.15304	0.8
125.02321	1.8
131.03403	3.0
141.09102	25.8
142.09470	1.4
143.03392	2.8
149.04439	1.8
155.03429	1.4
159.10173	11.7
161.04459	5.4
179.05612	0.9
219.74281	0.9
221.06660	0.8
261.92041	0.8
287.10657	0.9
303.11517	0.7
303.14490	17.0
304.14813	1.6
319.12289	0.9
321.15527	71.4
322.15829	5.2
363.16589	89.5
363.23950	2.9
364.16931	7.8
375.46564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.6
59.00954	0.8
59.01249	13.6
65.99706	2.2
67.01744	0.5
68.01270	0.5
68.36425	0.5
68.99630	0.4
71.01251	4.9
71.22074	0.8
72.99179	0.5
73.02821	2.6
73.15644	0.5
80.56789	0.6
82.02853	31.9
83.01247	4.4
83.03210	0.7
83.04882	0.5
85.02808	2.3
87.00767	0.7
89.02317	2.5
94.02856	2.9
99.00770	1.1
101.02311	3.5
102.98466	0.9
105.02090	0.5
108.02100	0.5
108.04402	0.9
110.02326	0.7
113.02316	2.0
119.03403	1.1
120.00747	0.7
120.04455	1.3
121.01561	1.2
122.02342	1.9
122.06020	4.7
125.02353	0.5
130.39307	0.5
134.02356	0.9
136.03935	25.8
136.07526	0.9
137.04289	1.0
138.05516	0.8
141.09152	1.2
143.03419	0.6
146.05994	0.6
148.03906	0.7
150.05519	1.3
152.03482	1.3
159.08096	0.5
159.10240	0.7
160.03946	0.9
160.07579	1.4
161.04495	1.2
161.07124	1.0
162.01962	0.9
162.05553	0.5
164.03441	36.1
165.03796	1.4
176.07066	1.5
177.10298	0.6
178.08604	1.2
180.02950	1.1
182.04503	3.1
188.07066	0.8
194.04514	23.0
194.50620	0.5
195.05269	5.9
196.06084	26.3
197.06433	1.1
201.08940	0.9
202.08667	2.0
204.06580	1.2
214.95558	0.5
215.05775	0.6
216.06662	0.6
217.06076	1.5
225.90450	0.5
226.08684	0.6
228.06538	1.0
229.06082	1.0
231.07669	2.4
241.09738	0.6
243.04196	0.9
243.11314	0.6
244.09822	5.1
245.09218	3.5
258.06369	2.4
259.07211	1.6
259.10834	1.7
269.09238	1.9
270.07666	3.8
271.07230	3.6
272.07977	1.1
287.10358	100.0
288.10706	6.5
291.09818	2.0
303.14368	0.8
313.08279	2.4
319.13025	2.5
321.15576	2.5
331.09323	46.3
332.09674	3.6
363.11868	7.9
363.16406	3.9
363.23813	1.2
364.12460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.9
59.00962	1.3
59.01247	23.1
65.99711	2.0
69.78510	1.4
69.78904	1.5
71.01251	4.9
73.02804	2.4
82.02850	36.0
83.01257	3.2
83.03188	0.6
85.02811	1.8
87.00677	0.5
89.02291	2.3
90.36489	0.5
92.04933	0.8
94.02862	2.0
94.13273	0.6
95.79968	0.5
99.00762	0.7
101.02319	3.7
105.02054	0.7
106.02835	0.7
108.04464	0.8
110.02354	0.9
113.02321	2.6
118.03720	0.7
119.03357	1.0
120.04399	1.7
121.01558	1.3
122.02335	1.7
122.05998	4.3
134.02377	0.8
136.03932	22.8
136.07623	0.7
141.09084	1.2
148.03896	0.6
150.05519	0.8
152.03394	1.1
154.04938	0.7
159.06604	0.6
159.10138	0.7
160.07573	1.7
161.04482	0.9
162.05380	0.7
163.02522	0.6
164.03429	37.6
165.03821	1.7
176.07010	1.5
178.08662	1.3
180.02905	1.4
182.04469	2.5
188.07063	0.8
194.04500	20.6
195.05289	7.0
196.06065	25.8
197.06374	1.4
202.08632	2.3
203.08333	0.8
204.06537	1.9
216.06612	1.0
216.10211	0.7
217.06050	1.5
228.06685	0.9
229.06171	2.0
231.07680	1.9
242.08347	0.6
243.07556	1.0
243.11508	0.7
244.04617	0.6
244.09755	7.3
245.09309	3.5
246.09781	0.6
255.05267	0.7
257.05563	1.1
258.06372	2.7
259.07263	3.1
259.10828	2.4
269.09296	1.2
270.07660	5.0
271.07193	3.1
272.07959	2.0
287.10355	100.0
288.10718	8.2
291.09784	2.7
303.14542	1.6
313.08185	2.6
319.13022	2.0
321.15491	2.4
331.09326	36.4
332.09601	3.4
363.11987	5.9
363.16510	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	361.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
71.07915	4.8
77.26999	2.3
77.61910	2.5
86.85381	2.0
108.78390	2.2
123.56440	2.2
143.14012	2.1
161.06268	2.1
186.55980	2.4
217.07156	36.0
218.07237	3.1
227.88680	2.5
285.13388	11.6
301.16602	84.9
302.16647	12.7
319.22940	3.8
361.23737	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.5
59.01250	47.5
64.18610	0.9
67.01757	1.2
71.01247	3.3
71.04890	5.2
73.02811	11.6
83.01250	1.5
83.04872	1.5
84.36581	1.0
85.02805	2.1
85.06443	1.3
87.04382	6.2
97.06470	3.6
98.19844	2.7
101.02278	1.6
106.04169	0.9
109.06521	1.2
111.00770	2.0
111.08029	2.1
113.02308	1.5
115.07520	1.1
123.08026	1.8
125.09581	1.5
139.11172	2.0
143.10674	3.6
153.09111	1.5
155.10646	1.3
169.12227	1.9
173.11626	1.2
235.17053	1.5
237.18477	1.4
253.17944	1.5
255.19600	7.1
257.21182	4.8
271.19156	2.0
273.20676	2.7
281.14111	1.2
289.14355	1.7
289.41699	0.9
301.20181	24.4
302.20551	1.6
319.21231	100.0
320.21622	7.8
361.22296	48.0
362.22696	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	363.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75156	4.7
59.01253	53.8
69.84164	26.0
71.01253	17.7
85.02806	14.2
89.02305	21.2
89.58401	4.5
93.03356	4.9
97.09584	4.7
101.02327	13.9
111.00725	5.3
113.02308	13.9
119.03359	10.2
121.56895	5.9
140.46402	5.9
157.71463	5.6
165.07578	18.2
179.05550	7.6
272.49673	5.2
303.00153	9.6
327.12930	100.0
328.13397	5.6
332.76147	6.0
363.10608	23.9
364.09732	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	361.1291
Annotation	azanigerone A
Peak:m/z	Relative Intensity
57.03328	1.3
59.01244	1.3
69.79546	1.0
69.79958	1.5
80.02544	0.6
83.01217	0.6
83.04907	1.7
96.95906	0.4
97.06477	1.7
104.06686	0.5
105.03222	0.4
107.04896	0.5
108.02032	0.6
117.03351	1.6
119.04884	0.7
121.06474	0.5
123.08030	1.1
131.04897	0.5
131.94565	0.5
133.02823	3.1
135.04422	0.6
136.01530	1.2
137.09618	0.9
144.68527	0.4
145.02835	2.1
145.06442	0.7
147.04449	1.2
149.02312	0.8
151.03917	1.2
157.06445	0.6
158.03662	1.0
159.04401	0.7
160.01532	0.8
161.02357	8.3
161.05984	1.1
162.02930	0.5
163.03889	1.2
173.02342	23.0
173.05963	1.0
174.03143	2.2
175.03926	2.5
175.24231	0.5
176.01050	2.3
177.01840	1.7
177.05499	0.8
189.01868	4.8
189.05449	2.3
190.02647	2.0
191.03372	0.6
200.04782	1.3
201.01884	2.1
201.05428	2.3
202.02652	1.0
203.03384	1.5
203.07137	0.6
204.00574	10.6
204.07793	0.5
205.01329	7.6
205.04974	1.3
206.02090	1.3
214.06264	0.5
215.07100	2.5
216.00584	1.6
217.01366	87.3
218.01794	5.9
219.02892	1.8
219.06546	1.1
220.06975	0.6
222.01662	0.6
229.08429	0.5
231.06491	2.7
232.07367	4.6
233.00847	3.7
233.04466	4.1
233.08029	1.1
241.08768	0.7
243.06435	0.8
245.04524	3.3
245.08014	0.7
247.06067	3.1
248.06599	0.6
259.06055	1.4
259.09720	3.0
260.06860	1.1
260.10190	0.5
261.03934	1.5
261.07587	3.5
273.07440	0.6
273.22275	0.9
275.05585	7.5
275.08670	0.9
276.06351	27.5
277.06796	2.7
285.07700	0.8
303.08752	5.5
304.09039	0.5
317.13922	2.0
317.21213	0.6
361.12888	100.0
361.20172	6.1
362.13217	11.2
362.20279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.129
Annotation	5Z-7-Oxozeaenol
Peak:m/z	Relative Intensity
59.01238	1.2
65.00182	0.3
67.01753	0.5
69.78652	1.6
71.01244	0.5
77.03861	0.4
83.04915	0.6
87.04387	0.7
89.03856	0.4
93.03332	0.7
95.01230	0.3
95.04892	0.5
105.03340	0.9
107.01337	0.3
109.02843	0.5
111.00720	0.8
117.03325	0.7
119.04921	0.5
121.02856	2.8
122.03653	1.5
123.00800	0.5
123.90977	0.3
125.05982	0.4
132.02057	0.5
133.02849	1.4
134.03630	0.6
135.00743	0.3
135.04448	0.4
137.02341	1.1
144.05739	0.3
145.02824	0.7
147.00917	0.4
147.04431	0.4
148.01564	1.1
148.05197	0.7
149.02338	58.4
150.03136	6.2
151.03906	12.1
151.04919	0.2
152.04282	0.4
159.04486	0.5
159.08031	0.9
160.01556	0.4
161.02341	22.4
161.05928	1.0
162.03140	2.8
163.00308	1.8
163.03886	1.4
171.04495	0.3
171.07928	0.3
172.05199	0.6
173.02377	0.4
173.06050	0.6
174.03088	0.4
175.03938	0.7
175.07539	1.3
176.01057	3.9
176.04640	0.3
177.00299	0.5
177.01842	10.6
177.05472	1.4
178.02414	0.4
179.07101	1.0
182.02129	1.8
185.06071	0.4
187.03920	0.5
187.07509	1.7
188.01053	1.3
188.04694	1.0
189.01849	7.1
189.05489	1.1
189.09164	0.5
190.02611	4.2
190.06215	0.4
190.99750	1.9
191.03261	0.5
192.00566	2.5
192.07829	0.5
199.03951	1.0
200.04694	0.6
201.05473	0.6
203.03401	0.7
203.07068	2.1
204.00552	6.2
204.04126	2.2
204.07852	0.3
205.01341	35.2
205.08646	1.5
206.02097	7.9
213.05502	1.4
214.06192	0.9
215.03374	0.5
215.07079	4.0
216.00624	1.4
216.04150	1.0
216.07672	0.5
217.01376	2.3
217.04855	1.7
217.08524	0.4
218.02158	1.8
218.05661	0.4
219.06499	2.4
220.07353	14.6
221.07857	1.0
222.01601	0.6
226.06357	0.4
231.02953	0.6
231.06567	4.0
231.10220	0.7
232.00073	14.1
232.03745	0.7
232.07347	12.8
233.00847	5.2
233.08076	4.7
237.07599	0.9
238.01295	0.4
238.07935	0.4
241.08737	0.5
243.06750	0.4
245.00894	0.3
245.08011	0.3
246.05316	0.5
247.06076	5.0
247.09753	0.4
248.06560	1.5
258.05310	0.6
259.06073	5.1
259.09665	2.3
260.03311	0.8
260.06772	1.1
260.10480	0.7
261.07596	4.9
275.05615	10.0
275.08670	0.8
276.06342	95.9
277.06757	8.8
278.07520	0.3
299.12769	0.5
303.08707	10.4
304.09058	0.9
305.13965	0.7
317.13919	1.0
331.11731	0.7
333.13312	0.7
343.11661	0.4
361.12891	100.0
362.13196	11.5
362.19897	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03354	2.3
59.01250	32.8
69.38233	5.1
71.01260	1.3
71.04886	5.7
73.02835	1.2
81.03325	0.6
83.04929	2.4
85.06493	1.6
95.04901	0.8
97.06456	2.7
99.08092	1.0
109.06484	4.5
111.08034	6.2
113.09606	7.2
113.10249	0.6
123.08043	3.8
125.09659	1.8
127.07565	1.2
137.06042	2.4
139.07646	1.2
141.09081	3.7
143.10674	8.4
150.36006	0.6
151.07733	0.5
153.09160	0.9
169.12350	0.8
171.10147	1.2
172.10994	2.4
177.12796	1.6
191.52461	0.6
219.17555	0.7
223.17035	0.8
233.15485	0.6
235.16975	3.7
237.18571	1.5
253.18065	2.4
255.19684	4.2
256.20041	0.7
263.16757	0.9
281.17575	1.0
299.18607	19.9
300.19064	2.4
317.19659	100.0
318.20013	8.8
323.33450	0.6
356.73602	0.7
359.20700	26.5
360.21069	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	359.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	22.2
62.94480	0.7
71.52439	1.0
80.64287	0.8
87.86372	0.8
125.08295	0.7
195.06827	0.7
277.21713	100.0
278.22037	9.3
292.91904	0.8
329.02921	1.2
359.07617	2.8
359.21979	20.9
359.25867	1.4
360.22412	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	360.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	9.2
61.07425	0.2
71.01252	2.8
71.52713	0.5
73.02809	1.3
80.04892	0.3
83.01254	0.6
85.02831	1.2
88.27247	0.2
89.02319	1.1
91.88633	0.3
96.95879	0.4
99.00808	0.3
101.02325	1.9
109.02870	0.3
111.00806	0.6
112.03918	0.3
113.02313	1.3
119.04889	0.5
120.59602	0.3
121.02741	0.3
122.05984	0.3
123.03153	4.2
125.02398	0.4
134.03688	0.3
137.02338	0.3
138.05499	100.0
139.05870	3.4
139.07524	0.9
152.07115	0.9
161.04440	1.0
162.03102	0.5
163.03709	0.4
196.03923	0.4
199.02664	0.6
202.78745	0.3
214.05061	1.0
228.01241	0.3
229.02010	1.2
237.09012	0.6
238.09428	0.8
255.10271	0.5
257.01508	3.5
272.03827	4.2
272.09976	0.4
273.01474	0.3
273.04327	0.7
282.09833	2.2
285.08908	0.7
300.11035	1.6
301.12872	0.6
316.02911	1.4
317.11288	0.4
319.14014	1.0
361.09415	0.9
361.15042	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	358.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91124	36.6
58.23101	37.1
59.01248	33.4
71.32580	65.9
101.80818	33.0
102.02352	33.1
303.36221	36.1
329.02750	72.0
359.07657	100.0
359.15109	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	359.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
69.77254	9.2
76.54404	1.6
90.96981	1.8
132.98013	2.8
151.74338	1.6
157.03464	2.4
159.01347	1.9
174.99158	27.8
201.02452	25.5
202.02620	2.0
202.41692	1.8
217.00244	93.4
252.39885	1.6
273.06937	1.8
339.20578	1.8
359.01443	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.5
59.01249	33.3
69.23431	4.7
71.01256	1.0
73.02834	0.6
74.02354	1.4
74.98983	0.5
83.04916	0.5
87.24368	0.6
95.04896	1.2
95.24878	0.5
96.95847	0.6
97.06449	4.1
98.20535	0.9
99.08041	3.6
100.98045	0.5
103.41993	0.4
105.62080	0.5
109.06470	6.5
111.04340	0.6
111.08030	7.4
113.09604	4.6
116.03473	0.8
123.08064	1.9
125.09614	1.4
127.07552	1.4
137.05992	2.0
139.07576	1.0
141.09091	4.3
143.10674	9.9
149.92332	0.5
153.24326	0.4
157.12254	0.6
159.10236	0.8
163.83150	0.4
169.12323	0.6
171.10245	0.6
172.10979	3.9
173.11761	1.0
187.13380	0.9
193.82622	0.5
207.70903	0.5
219.17519	0.9
223.16957	1.0
235.17018	2.5
237.18547	1.4
253.17998	2.3
255.19661	4.3
261.08740	0.7
299.18622	23.2
300.19141	2.2
317.19659	100.0
318.20004	8.2
359.20718	30.3
360.21109	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	358.108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25464	0.9
51.57827	0.9
56.73067	1.0
58.66379	1.0
59.01234	1.6
59.52406	0.9
69.57236	4.8
69.57652	1.7
95.01263	7.8
95.26846	0.9
96.44827	0.9
106.04117	2.6
108.02055	1.3
108.58424	0.9
109.02838	17.7
112.99139	1.0
121.02837	22.1
122.03674	7.2
123.00772	1.6
137.02333	3.2
150.03123	100.0
151.03490	3.8
160.03926	8.1
164.24754	1.0
168.08948	1.2
286.07892	1.0
314.11609	1.2
329.02887	1.4
358.10480	5.6
358.30469	1.0
359.07587	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52732	0.6
57.03050	1.4
57.03322	24.1
59.01241	4.8
69.03317	2.8
69.19086	5.0
69.19501	2.5
71.01255	2.4
71.04892	4.9
73.02824	1.8
81.03339	1.3
83.04903	4.2
84.02052	3.5
85.02829	1.5
85.06459	14.7
87.04388	5.8
95.04904	3.5
97.06464	9.0
98.20526	1.4
99.04393	8.6
99.08025	1.3
101.09611	1.0
108.02041	1.8
109.06481	1.1
111.08047	1.4
113.05957	0.9
118.95690	0.7
125.09623	2.2
129.09108	12.3
132.04425	8.8
135.04359	1.1
136.07559	3.3
137.09679	1.4
139.11185	3.0
143.10681	19.1
153.01892	0.9
153.12802	1.1
155.10686	1.4
159.10138	1.8
164.07062	2.7
165.12791	1.6
165.38190	0.7
167.14333	10.1
169.12271	0.8
171.10191	7.5
171.13866	1.3
173.11810	5.8
175.11197	1.5
181.15898	2.6
183.13823	1.3
185.11658	0.9
193.12239	5.1
195.17534	1.1
201.14937	1.5
209.15593	0.7
211.13513	1.1
211.16959	15.3
212.17171	1.0
219.13699	1.0
221.19044	2.8
224.40135	0.8
225.14879	8.2
233.19147	0.8
235.20604	1.0
237.14972	0.9
243.15846	3.8
251.16457	3.9
253.21631	0.8
257.21152	1.4
267.23248	3.0
269.17648	6.9
270.18228	0.7
281.12936	2.8
281.17667	1.0
295.22559	1.0
297.24319	9.1
306.65219	0.8
311.25854	9.0
313.15536	2.2
313.27478	33.8
314.16028	0.8
314.27887	4.0
315.18042	0.7
315.21628	1.4
321.20624	1.4
327.00900	3.8
327.04315	0.8
339.21771	2.3
342.03082	2.9
357.05328	1.5
357.22662	24.1
357.26450	100.0
358.22974	3.0
358.26794	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	357.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	46.4
58.19952	0.7
59.01247	4.6
69.03322	3.4
70.27236	1.5
70.27631	1.6
71.01244	1.9
71.04883	2.2
80.65861	0.6
82.47034	0.7
83.04898	0.9
84.02073	1.1
85.02848	0.9
85.06461	26.5
85.99886	0.6
86.42463	0.7
87.04399	1.0
90.43290	0.7
95.04897	1.1
96.19499	0.6
97.06462	2.2
99.04399	3.0
99.08028	1.2
101.09590	1.1
108.02035	2.2
121.02834	2.6
123.04417	0.9
125.09595	2.2
127.11190	1.3
132.04475	1.1
135.04390	0.7
136.80528	0.6
139.11172	2.0
141.12753	2.9
143.10675	26.2
144.11008	0.9
147.04599	0.6
151.11197	1.1
152.01117	1.2
153.09201	0.8
153.12782	5.5
159.04466	0.6
167.14371	3.5
169.12260	5.4
169.15924	3.5
169.62180	0.7
171.10217	4.9
190.15346	0.6
193.12263	1.6
193.16040	0.7
193.36227	0.7
195.17476	2.0
209.19112	1.6
211.16965	20.7
212.17500	1.3
225.14922	1.3
237.18541	1.5
237.22212	5.9
239.20175	2.2
243.15892	1.0
251.16426	0.9
255.23112	0.8
258.76047	0.8
269.17584	1.9
271.04477	1.1
271.22794	0.9
295.26401	4.8
297.24313	9.4
311.25989	1.9
313.27466	54.6
314.27802	5.6
315.21640	0.8
339.25449	1.4
357.22827	7.7
357.26465	100.0
358.22940	1.0
358.26804	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55862	0.6
54.31692	0.7
57.03320	55.6
58.03646	0.6
59.01249	3.3
69.03321	2.3
71.04888	12.0
71.52489	0.9
71.52852	0.7
83.04896	1.3
85.02807	1.0
85.06454	19.3
85.78283	0.7
97.06459	3.0
98.93980	0.7
99.04400	0.7
99.08022	2.8
108.02061	1.1
109.06467	0.7
124.21208	0.7
125.09593	1.9
127.07532	1.5
128.69070	0.6
129.09076	4.7
135.10399	0.6
139.11168	12.0
141.09084	1.2
143.10672	53.2
144.11006	2.6
152.00955	0.7
153.12651	0.8
157.12247	2.3
167.14279	0.9
173.15416	2.4
195.13838	0.8
201.14908	4.0
209.15372	0.9
211.17007	2.2
215.16418	0.8
229.18011	0.9
297.16840	0.7
297.24316	2.5
311.25977	6.1
313.27441	77.6
314.24579	0.7
314.27866	7.5
315.18127	3.3
336.53787	0.8
343.57831	0.7
357.26425	100.0
358.26770	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	357.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52732	0.6
57.03050	1.4
57.03322	24.1
59.01241	4.8
69.03317	2.8
69.19086	5.0
69.19501	2.5
71.01255	2.4
71.04892	4.9
73.02824	1.8
81.03339	1.3
83.04903	4.2
84.02052	3.5
85.02829	1.5
85.06459	14.7
87.04388	5.8
95.04904	3.5
97.06464	9.0
98.20526	1.4
99.04393	8.6
99.08025	1.3
101.09611	1.0
108.02041	1.8
109.06481	1.1
111.08047	1.4
113.05957	0.9
118.95690	0.7
125.09623	2.2
129.09108	12.3
132.04425	8.8
135.04359	1.1
136.07559	3.3
137.09679	1.4
139.11185	3.0
143.10681	19.1
153.01892	0.9
153.12802	1.1
155.10686	1.4
159.10138	1.8
164.07062	2.7
165.12791	1.6
165.38190	0.7
167.14333	10.1
169.12271	0.8
171.10191	7.5
171.13866	1.3
173.11810	5.8
175.11197	1.5
181.15898	2.6
183.13823	1.3
185.11658	0.9
193.12239	5.1
195.17534	1.1
201.14937	1.5
209.15593	0.7
211.13513	1.1
211.16959	15.3
212.17171	1.0
219.13699	1.0
221.19044	2.8
224.40135	0.8
225.14879	8.2
233.19147	0.8
235.20604	1.0
237.14972	0.9
243.15846	3.8
251.16457	3.9
253.21631	0.8
257.21152	1.4
267.23248	3.0
269.17648	6.9
270.18228	0.7
281.12936	2.8
281.17667	1.0
295.22559	1.0
297.24319	9.1
306.65219	0.8
311.25854	9.0
313.15536	2.2
313.27478	33.8
314.16028	0.8
314.27887	4.0
315.18042	0.7
315.21628	1.4
321.20624	1.4
327.00900	3.8
327.04315	0.8
339.21771	2.3
342.03082	2.9
357.05328	1.5
357.22662	24.1
357.26450	100.0
358.22974	3.0
358.26794	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	357.1189
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
59.01248	6.3
64.58734	0.3
69.32135	2.7
71.01252	4.0
73.02814	2.2
83.01261	0.5
85.02834	1.2
89.02307	1.5
92.14102	0.4
93.03338	0.5
96.66726	0.4
98.19840	0.9
100.89953	0.4
101.02310	2.2
102.15038	0.4
108.02064	0.9
113.02333	1.5
119.03394	0.4
119.04890	1.9
121.02842	5.3
122.05998	0.5
123.04409	1.1
130.08629	1.0
132.07771	0.4
134.03615	2.6
135.04385	1.2
136.05193	35.0
137.02321	1.3
137.05551	1.7
143.03427	0.4
149.06010	1.0
151.07544	69.8
152.01012	0.5
152.07967	3.2
161.02335	0.8
161.04451	0.6
162.03133	1.4
163.03880	1.6
170.16158	0.4
177.05484	12.6
178.05809	0.9
192.06628	0.7
193.04962	0.9
195.06549	100.0
196.06898	6.2
199.17987	0.5
226.11809	0.3
251.07008	0.6
253.08846	0.4
253.78920	0.4
313.10870	0.8
315.18152	1.0
357.12402	3.3
357.21643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24492	0.4
52.76746	0.4
53.32469	0.5
53.69592	0.4
57.03323	41.1
58.03649	0.9
59.01247	4.4
68.08829	0.5
69.03325	3.2
71.01247	1.4
71.04893	2.4
76.79731	0.4
83.04893	1.5
84.02045	1.1
85.02811	0.8
85.06459	28.5
86.06799	0.6
95.04917	0.6
97.06487	2.1
98.19708	0.7
99.04395	3.5
99.08048	0.8
101.09575	0.8
107.00089	0.4
108.02032	2.1
109.02839	0.6
109.06483	0.9
121.02834	1.4
123.00776	0.5
123.04392	0.8
125.09589	2.8
127.11187	2.1
132.04446	1.7
136.07607	0.5
139.11136	2.4
141.12752	3.9
143.10681	22.9
144.10999	0.5
151.11188	1.2
152.01053	1.5
152.11490	0.5
153.12740	3.9
155.14426	0.5
157.12267	0.6
167.14334	2.8
169.12248	6.8
169.15886	2.9
171.10176	7.9
181.15662	0.5
191.14294	0.6
193.12315	0.7
193.15945	0.9
195.17484	2.8
205.15991	0.5
209.15407	0.6
209.19070	2.0
211.16971	24.3
212.17319	1.9
218.43164	0.4
221.19064	0.6
225.14828	0.7
235.20566	0.8
237.18568	2.1
237.22166	6.5
239.20119	2.5
255.23314	1.0
257.21204	0.9
269.17624	0.8
271.22729	0.9
279.23309	1.6
289.18140	0.7
295.26392	4.2
297.24289	9.3
298.24689	1.4
311.25864	2.0
312.16254	0.5
313.27469	55.8
314.27853	5.6
315.18198	0.8
315.21597	0.7
339.25299	1.3
357.22818	7.9
357.26465	100.0
358.22699	0.7
358.26773	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	357.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87056	0.4
59.01243	4.6
68.85361	0.5
69.59082	2.0
69.59510	1.4
71.01254	2.6
85.02820	4.7
93.03304	0.9
95.01278	2.5
98.20570	0.7
101.02310	1.4
108.02048	100.0
109.02851	29.3
110.03122	0.8
113.02315	0.8
121.02808	0.8
123.00764	2.5
123.04401	0.7
125.02304	0.7
133.02853	0.6
150.06781	2.2
151.03900	1.8
151.51161	0.6
152.01051	63.9
153.01845	22.0
153.03101	0.9
153.05429	0.9
161.04443	1.2
163.03920	1.1
165.01854	1.2
168.37683	0.6
195.04938	0.9
195.06573	0.5
211.03453	0.7
270.85004	0.6
277.87219	0.5
315.07220	1.3
357.08237	68.0
358.08527	5.6
376.86548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0979
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
52.92946	0.5
59.01253	0.7
60.08753	0.5
65.00196	1.1
71.01265	0.8
71.39965	0.9
86.55081	0.5
89.03805	0.5
91.01760	3.7
92.48793	0.5
93.03329	7.1
94.51626	0.5
96.99187	5.9
108.02062	1.8
109.02856	0.8
117.03349	2.2
119.04913	14.9
119.41961	0.5
121.02853	0.8
123.04401	8.7
124.01499	0.7
130.04121	1.1
131.04913	2.4
132.02072	0.6
133.02837	2.3
134.03632	16.7
135.04399	1.0
137.02324	1.3
143.04936	11.1
145.02815	4.0
146.03613	6.3
147.04382	1.7
148.05235	0.9
149.05957	1.3
158.03604	3.7
159.04427	8.7
160.01659	0.6
161.04774	0.6
161.05974	3.4
163.03917	7.9
171.04465	0.6
173.06029	2.4
175.03912	1.1
178.02550	1.3
187.03905	1.6
193.04977	4.7
226.06293	3.7
235.07607	0.9
238.06326	1.0
241.08566	3.0
250.06328	1.7
251.07115	18.8
252.07799	7.6
253.08627	6.6
254.09363	2.5
263.07086	1.1
265.08295	0.8
267.10223	1.6
279.06604	7.1
280.07364	14.5
281.07761	0.7
295.09732	10.8
296.10089	1.4
297.17142	1.1
313.10815	2.1
315.17947	2.8
324.06396	2.8
339.08676	5.0
347.24701	0.6
357.09760	100.0
358.10117	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	356.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42670	5.4
50.63873	6.1
51.14708	5.4
52.41413	6.2
59.01238	23.5
61.98695	100.0
72.79120	7.2
85.02815	7.0
98.20650	11.9
112.96160	6.2
121.02827	21.7
212.49408	5.8
356.11761	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	357.0615
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.25774	0.1
59.01247	0.5
71.01220	0.1
71.04893	0.1
71.52904	0.1
77.03823	0.2
85.02811	0.2
91.01764	0.2
93.03348	0.3
108.02050	0.3
108.04430	0.2
121.02844	100.0
122.03181	3.5
132.04446	0.7
136.07570	1.4
165.01863	1.0
180.05730	1.6
181.06511	6.5
182.06859	0.6
182.08372	0.1
195.06577	0.2
197.05983	0.1
199.07578	0.2
211.17055	0.2
213.45505	0.1
225.05511	6.0
226.05949	0.3
228.70226	0.1
269.08127	0.3
278.09134	0.1
281.12775	0.2
313.07172	8.0
313.27377	0.6
314.07474	0.7
315.17963	0.2
325.11832	0.7
346.56235	0.1
357.06143	28.8
357.26425	1.3
358.06464	3.3
358.26648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68598	0.4
52.06351	0.4
59.01250	3.8
69.81356	1.9
71.01250	3.2
73.02796	1.1
81.03325	1.1
83.01265	0.8
85.02814	4.1
89.02328	0.7
91.60032	0.5
93.03327	0.5
95.01264	1.6
96.95922	1.0
100.04949	0.4
101.02328	1.8
108.02049	100.0
109.02845	44.1
110.03181	1.6
113.02311	1.1
121.02808	1.1
123.00771	1.6
123.04380	1.4
133.02849	0.8
135.00761	0.8
135.04399	0.5
151.03882	1.4
152.01050	59.5
153.01842	24.0
153.03108	0.9
153.05440	0.7
154.02145	0.9
161.04471	0.7
163.03906	1.2
297.06192	1.0
299.45697	0.5
315.07077	1.0
357.08237	56.0
358.08606	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	355.1944
Annotation	Lehualide I
Peak:m/z	Relative Intensity
50.43172	0.4
59.01242	2.2
71.01246	1.1
71.52421	0.6
76.48960	0.4
80.43545	0.5
83.01275	0.5
85.02813	3.1
89.02274	0.5
101.02290	0.6
151.03893	0.6
171.10153	1.1
183.01137	4.0
191.01912	1.2
209.02924	0.8
235.15208	20.9
236.15443	1.8
267.17847	100.0
268.18137	9.2
337.18460	0.9
341.45972	0.5
355.19437	47.5
355.24326	1.5
356.19742	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	355.2276
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
50.97130	1.0
53.21884	1.0
58.83078	1.0
59.01239	2.0
70.53675	1.4
70.54034	3.7
85.02814	4.1
88.40125	1.2
101.05920	1.3
104.57413	1.0
109.02816	2.4
111.00756	1.1
122.03602	7.9
127.07562	1.9
135.04404	21.7
136.01527	2.1
136.04819	1.2
146.56880	1.0
147.08099	1.5
149.05809	1.4
149.09599	6.5
151.07579	3.2
154.02617	1.8
161.09639	6.4
161.75111	1.0
163.07509	2.3
163.11185	46.3
164.08327	15.5
164.11461	2.6
165.09120	8.9
177.09122	60.8
178.09894	18.8
179.10686	63.5
180.11015	3.9
183.10161	2.3
187.11171	2.2
191.10666	11.1
193.08630	9.3
208.50066	1.2
211.48979	1.2
221.55927	1.2
280.14517	2.5
281.50406	1.4
298.15723	50.7
299.16006	5.8
307.16895	1.8
309.22318	1.4
311.24261	1.3
321.18628	1.4
337.21689	42.3
338.22061	5.4
340.20386	76.8
341.20715	7.6
355.22775	100.0
356.23169	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	355.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.7
65.00192	5.2
68.99666	0.7
77.03830	1.6
78.42348	0.4
79.01765	4.6
83.01255	2.5
83.04881	0.5
85.02813	1.1
93.03343	3.8
93.99135	0.4
95.04907	1.3
97.02820	1.1
97.06468	0.7
103.05478	0.4
107.01230	1.9
107.04890	1.0
108.02042	1.4
110.03598	1.4
112.89664	0.4
115.01689	0.3
119.04911	42.6
120.05248	2.0
121.02842	5.2
123.00816	0.5
123.04405	0.8
123.08039	1.0
125.05964	11.2
130.56053	0.3
131.04909	0.8
135.00752	2.3
136.01547	11.0
137.02347	0.5
143.04901	1.4
145.02867	1.2
146.41408	0.4
147.07977	0.4
148.05042	0.4
149.05977	5.9
150.03131	1.1
150.06303	0.4
151.00240	0.5
161.05946	0.5
163.00272	3.6
164.01064	5.2
165.01837	8.7
165.05481	0.5
166.02232	0.4
167.07050	4.7
173.06015	2.1
175.03899	0.9
177.01761	0.5
178.02655	1.3
179.03343	1.0
185.06081	1.8
187.03943	2.1
191.01947	0.4
191.03416	1.6
191.07045	2.8
193.04985	1.9
203.07008	1.7
209.03029	1.0
210.01575	1.1
217.05002	6.7
231.06500	0.7
235.06061	12.8
236.06493	0.8
241.08621	1.4
243.06648	0.8
249.07834	0.8
261.07660	0.4
270.04074	0.6
271.04611	0.5
283.06110	1.9
284.06924	1.6
285.07733	1.8
297.29422	0.4
311.12875	1.0
337.10855	3.4
338.10843	0.4
355.11838	100.0
356.12140	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	10.0
59.01239	2.4
62.83227	0.8
63.02271	3.1
65.00195	6.3
68.99668	1.1
69.21320	1.9
69.21726	7.6
71.01265	1.8
73.02822	1.0
79.76412	0.8
80.74249	0.9
81.03328	1.7
83.01257	2.4
85.02826	4.1
93.03327	4.9
97.65887	0.9
98.19767	1.9
105.06987	1.2
107.04917	3.3
107.08530	2.4
108.02061	1.4
109.02838	3.3
109.06461	6.6
111.00749	1.6
119.04910	14.0
121.02857	2.2
123.00798	1.1
123.04398	3.6
124.01556	17.1
125.02354	1.6
125.09604	10.6
125.73601	0.9
131.04906	1.7
131.08548	1.5
133.02827	4.4
133.06470	11.0
134.03601	1.1
135.04410	2.9
136.01567	1.8
137.02328	2.6
149.02330	3.5
149.06000	3.1
149.09618	5.7
150.03123	1.3
151.00230	2.4
151.07542	14.4
152.01003	4.8
157.06552	1.8
159.04402	2.0
163.00261	1.9
165.01833	3.6
172.05203	1.0
173.05978	2.0
175.04013	1.4
175.07570	4.0
176.01106	3.7
177.01848	21.2
177.05469	14.4
177.09093	1.9
178.02245	1.4
178.99771	1.2
187.03944	1.1
189.05475	1.4
191.01828	1.5
193.08624	68.3
194.09001	3.6
198.06741	1.2
201.05536	6.0
203.03482	3.2
205.04945	1.7
209.02953	2.2
219.06561	13.0
220.07327	3.5
221.08072	1.8
235.06044	8.4
242.05856	1.7
247.05980	5.2
249.07535	1.4
252.06270	1.1
253.05064	0.9
261.07745	0.9
267.14081	1.9
269.11798	3.5
281.11813	1.4
283.13504	2.5
287.13052	1.2
309.11441	1.1
310.06396	1.0
311.12912	14.5
327.12360	79.8
328.12692	6.9
337.10822	4.5
347.83780	1.0
355.11874	100.0
356.12234	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	355.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	2.0
59.01247	3.7
65.00188	5.2
71.01231	0.8
71.04874	0.6
71.18225	0.4
71.52605	0.8
71.86023	0.4
77.03821	1.6
79.01757	4.7
81.03319	0.7
81.10501	0.4
83.01254	2.2
85.02826	3.3
85.06440	0.7
93.03334	5.4
95.01265	0.9
95.04890	1.8
96.95871	0.9
97.02828	1.3
97.06444	1.0
105.06955	0.5
107.01278	1.9
107.04876	1.2
108.02052	1.3
109.02855	0.5
110.03599	1.6
117.03332	0.9
119.04915	45.3
120.05257	1.6
121.02843	5.3
123.00757	0.7
123.04401	0.7
123.08035	1.4
125.05975	11.9
126.06272	0.6
131.04892	1.2
135.00798	2.4
136.01556	13.0
136.07582	0.8
137.02307	0.9
143.04892	1.2
143.10696	0.8
145.02831	1.8
145.06468	0.7
147.04373	0.5
147.08044	0.6
149.02371	0.5
149.05981	6.5
150.03082	1.0
151.03809	0.5
151.07558	0.4
161.05946	1.3
163.00252	3.8
163.03976	0.6
164.01056	5.4
165.01839	9.1
165.05518	0.9
167.07031	4.9
170.66368	0.4
173.06000	1.5
178.02524	1.1
179.03427	1.8
183.02913	0.8
185.05980	2.1
187.03943	1.5
191.01958	1.0
191.03432	1.8
191.07043	2.4
193.04991	2.3
199.07561	0.6
203.07034	2.2
209.03049	1.2
210.01605	1.4
213.09190	0.6
217.04993	7.2
231.06580	1.1
235.06085	15.7
236.06340	1.0
241.08636	1.5
243.06499	0.7
254.04543	0.7
256.07538	0.5
261.07581	0.6
283.06070	3.2
284.06827	1.3
285.07526	2.4
296.11774	0.7
297.12466	0.8
311.12924	1.9
313.16592	0.9
337.10779	3.9
355.11847	100.0
355.24133	2.9
356.12170	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	355.1184
Annotation	Brosimacutin G
Peak:m/z	Relative Intensity
57.03301	2.0
59.01247	3.7
65.00188	5.2
71.01231	0.8
71.04874	0.6
71.18225	0.4
71.52605	0.8
71.86023	0.4
77.03821	1.6
79.01757	4.7
81.03319	0.7
81.10501	0.4
83.01254	2.2
85.02826	3.3
85.06440	0.7
93.03334	5.4
95.01265	0.9
95.04890	1.8
96.95871	0.9
97.02828	1.3
97.06444	1.0
105.06955	0.5
107.01278	1.9
107.04876	1.2
108.02052	1.3
109.02855	0.5
110.03599	1.6
117.03332	0.9
119.04915	45.3
120.05257	1.6
121.02843	5.3
123.00757	0.7
123.04401	0.7
123.08035	1.4
125.05975	11.9
126.06272	0.6
131.04892	1.2
135.00798	2.4
136.01556	13.0
136.07582	0.8
137.02307	0.9
143.04892	1.2
143.10696	0.8
145.02831	1.8
145.06468	0.7
147.04373	0.5
147.08044	0.6
149.02371	0.5
149.05981	6.5
150.03082	1.0
151.03809	0.5
151.07558	0.4
161.05946	1.3
163.00252	3.8
163.03976	0.6
164.01056	5.4
165.01839	9.1
165.05518	0.9
167.07031	4.9
170.66368	0.4
173.06000	1.5
178.02524	1.1
179.03427	1.8
183.02913	0.8
185.05980	2.1
187.03943	1.5
191.01958	1.0
191.03432	1.8
191.07043	2.4
193.04991	2.3
199.07561	0.6
203.07034	2.2
209.03049	1.2
210.01605	1.4
213.09190	0.6
217.04993	7.2
231.06580	1.1
235.06085	15.7
236.06340	1.0
241.08636	1.5
243.06499	0.7
254.04543	0.7
256.07538	0.5
261.07581	0.6
283.06070	3.2
284.06827	1.3
285.07526	2.4
296.11774	0.7
297.12466	0.8
311.12924	1.9
313.16592	0.9
337.10779	3.9
355.11847	100.0
355.24133	2.9
356.12170	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	355.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19241	0.3
57.03294	0.4
59.01247	0.8
64.57884	0.4
65.00195	3.9
68.99696	0.7
71.52602	0.5
77.03831	1.5
79.01759	4.3
83.01263	2.4
85.02809	1.2
93.03332	3.2
94.61626	0.4
95.04911	1.2
97.02821	1.6
97.06473	0.5
107.01260	1.3
107.04898	1.3
108.02057	1.3
109.03737	0.3
110.03606	0.8
119.04915	39.1
120.05234	1.4
121.02842	4.9
121.06501	0.5
123.00762	0.5
123.08032	1.3
125.05968	11.0
131.04880	0.9
135.00784	1.8
135.04417	0.4
136.01569	12.7
137.02324	0.8
137.34264	0.4
143.04916	1.7
145.02861	0.8
147.08072	0.7
149.02261	0.4
149.05965	5.7
150.03117	1.0
151.00223	0.4
153.39638	0.4
157.06558	0.5
161.05997	0.7
163.00290	3.5
163.03833	0.6
164.01053	5.2
165.01849	8.6
166.02232	0.6
167.07039	4.9
173.05991	1.9
175.03944	0.5
178.02609	1.0
179.03438	1.9
183.02887	0.5
185.05997	1.8
187.03915	1.7
191.03416	1.4
191.07060	2.1
193.05081	1.8
199.07614	0.7
203.07060	1.7
209.08144	0.4
210.01660	1.1
217.05017	6.4
231.06589	0.9
235.06079	14.1
236.06441	0.9
241.08687	1.3
243.06537	0.7
249.23456	0.4
249.27620	0.4
254.04744	0.4
261.07657	0.5
274.96667	0.4
283.06174	2.3
284.06763	1.2
285.07669	1.8
311.13013	0.9
337.10779	3.8
338.10663	0.4
355.11844	100.0
356.12122	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	355.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04564	0.3
54.99160	0.3
55.01759	2.1
57.03322	12.7
59.01247	7.0
63.66612	0.3
66.62493	0.3
68.99673	0.9
69.63673	1.7
71.01254	5.2
72.99182	1.5
73.02811	0.7
75.00722	1.9
83.01250	2.6
84.02036	2.6
85.02820	100.0
86.03148	2.2
87.00753	1.0
89.02313	1.1
93.03334	0.5
96.95930	0.3
99.00740	0.6
101.02310	0.9
103.00233	1.4
106.65803	0.4
111.00742	3.4
113.02325	0.5
115.00248	0.8
119.04889	3.2
121.02825	0.6
129.01828	7.6
133.01309	1.2
145.02858	0.5
147.02890	11.7
148.03226	0.3
163.02650	0.5
163.03908	3.0
173.00832	1.7
173.04463	0.5
181.04904	0.4
191.01892	27.6
192.02254	1.1
209.02960	31.9
210.03316	1.0
235.77293	0.3
355.06592	0.7
355.10709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.082
Annotation	11-hydroxy-O-methyldihydrosterigmatocystin
Peak:m/z	Relative Intensity
51.87852	0.4
55.29474	0.5
55.39051	0.4
57.03320	0.6
57.25203	0.3
59.01242	0.8
60.34279	0.4
65.00190	12.8
71.52013	0.5
71.52412	0.6
85.02818	2.7
93.03336	0.6
94.62529	0.4
107.01298	0.5
108.02093	1.2
108.99206	0.6
110.00000	0.8
112.86794	0.4
117.03351	4.7
119.01282	0.9
119.04936	3.7
120.22430	0.5
123.00740	0.6
125.05975	0.8
127.26744	0.4
133.06490	0.7
135.00761	1.6
135.04401	4.4
136.01559	1.3
136.07547	0.7
136.98697	18.7
137.02350	0.5
138.20148	0.4
139.00262	0.6
143.04939	0.7
149.05939	0.8
149.99475	1.3
155.04877	0.5
156.05713	1.1
158.03630	0.5
163.00258	3.9
164.01060	2.7
164.98184	1.1
165.01820	0.8
165.98955	1.1
183.04411	2.8
184.05203	1.2
185.02348	1.4
186.03128	2.6
187.03851	1.2
191.01968	0.6
199.03970	1.5
200.04735	3.6
206.04604	1.0
209.02919	0.9
211.03969	2.7
212.04749	4.2
214.02640	1.1
217.04967	0.4
219.06595	2.3
227.03435	5.2
228.04138	2.8
235.06052	1.4
239.03510	0.9
240.02985	1.0
254.04550	0.7
255.02937	4.1
255.05380	2.7
256.03708	2.4
260.03174	0.7
266.02014	0.5
267.03012	0.9
270.07687	4.5
271.07968	0.5
283.02454	11.2
284.03238	100.0
285.03629	8.0
355.08173	84.6
355.11859	7.7
355.24908	1.5
356.08423	10.1
356.12140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87606	0.9
55.01748	2.8
57.03325	12.9
59.01243	9.7
66.44543	0.9
69.54396	6.3
71.01247	5.3
72.99169	1.8
73.02811	1.9
75.00752	1.5
83.01254	1.9
84.02019	2.0
85.02818	100.0
86.03159	1.9
87.00725	1.8
89.02308	1.2
93.03338	2.2
96.95920	1.0
101.02320	1.2
103.00282	1.4
104.18510	0.9
111.00755	5.9
113.02387	1.2
119.04890	3.3
121.02856	2.0
129.01822	8.3
133.01302	1.6
147.02881	10.3
151.46376	0.9
151.47632	0.9
163.03888	3.9
173.00764	1.7
173.04456	1.8
181.05022	1.0
191.01888	24.5
191.03621	1.6
191.05531	1.4
195.95795	0.9
209.02960	28.5
209.04906	1.5
210.03236	1.7
310.48224	1.2
320.70764	0.9
355.10849	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	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30795	0.6
53.37252	0.6
55.01767	1.1
56.95327	0.5
57.03324	9.5
57.79950	0.6
59.01249	5.6
68.99683	1.1
70.08631	1.8
71.01252	5.4
72.50774	0.6
72.99173	1.4
73.02817	1.1
75.00751	2.6
82.57526	0.5
83.01252	2.2
84.02031	2.1
85.02819	100.0
86.03152	1.9
87.00760	2.1
89.02317	2.4
95.60358	0.5
101.02299	0.8
103.00250	2.2
108.04424	2.4
111.00768	5.3
115.00245	1.3
119.04900	2.1
129.01839	7.3
133.01337	3.2
147.02892	10.7
150.05498	2.7
163.03867	2.3
173.00842	2.1
191.01895	39.1
192.02278	1.0
193.04958	0.8
209.02956	78.8
210.03290	2.7
221.08182	0.6
245.98474	0.5
308.34299	0.5
355.10532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1344
Annotation	(+)-Eschscholtzidine N-oxide
Peak:m/z	Relative Intensity
50.49089	0.5
59.01233	1.4
61.98679	0.7
70.57932	1.7
70.58292	0.6
83.62975	0.5
85.02794	1.6
94.64468	0.5
170.52174	0.6
187.39374	0.5
199.15482	0.5
242.04649	0.8
254.04570	0.9
266.04599	3.3
268.02438	1.4
269.03284	10.1
270.04037	12.7
278.08112	1.0
280.09653	2.7
281.03268	29.5
282.03824	3.0
282.07755	2.0
284.05627	5.9
294.04047	3.5
294.07162	0.7
295.04626	1.0
296.05637	8.0
297.05856	0.8
306.07657	3.4
308.05615	4.8
308.09238	1.7
309.06235	2.6
324.08734	100.0
325.09088	10.1
339.11078	50.6
340.11398	5.1
341.05374	2.5
354.13437	92.7
355.13791	10.6
355.19220	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	354.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40694	0.4
57.16772	0.5
59.01242	0.9
70.26871	1.3
70.27267	1.0
73.93851	0.5
85.02832	1.0
174.17535	0.5
177.67842	0.5
213.04234	1.7
226.04980	1.0
240.06609	1.4
241.03755	47.8
242.04182	4.0
254.04541	71.2
255.05042	7.1
264.06641	0.8
265.03879	1.2
266.04538	17.4
267.05280	8.4
268.06097	3.8
269.06699	1.0
278.08133	2.9
279.08771	1.0
280.06107	2.0
280.09320	0.9
282.07632	0.7
290.08295	1.7
292.06168	4.0
293.06430	0.5
294.07608	2.5
296.09247	8.9
301.05902	5.8
306.07718	6.4
307.08356	5.5
308.09186	3.2
322.10797	15.8
323.11111	1.4
324.08737	52.3
325.09052	4.8
339.11069	20.9
340.11453	2.4
354.13431	100.0
355.13751	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	354.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68633	0.4
59.01234	0.5
70.27234	1.2
85.02824	0.8
99.37637	0.3
110.57841	0.3
221.19154	0.3
226.05013	1.4
240.06606	2.4
241.03851	0.5
253.03720	0.6
254.04550	100.0
255.04880	7.5
265.03802	2.6
266.04550	4.8
268.06100	4.2
269.06906	18.5
270.07330	1.2
278.07800	0.4
280.06134	3.5
281.03302	1.9
281.06082	0.4
284.09293	8.6
285.09604	0.9
296.05518	0.5
301.05896	10.7
302.06290	0.8
306.07788	1.4
307.08484	1.2
308.09262	0.9
322.10806	2.4
324.08725	2.7
327.17578	0.4
339.11063	2.6
354.13440	28.2
355.13724	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	354.0984
Annotation	Papraine
Peak:m/z	Relative Intensity
59.01250	1.0
71.01244	0.8
77.52184	0.4
81.65433	0.5
85.02805	1.7
98.19795	1.5
109.52396	0.4
109.78192	0.4
119.04916	1.5
121.02827	1.1
142.15999	0.5
149.02324	2.6
163.89807	0.5
209.03041	0.7
212.03377	0.9
214.60205	0.5
221.04712	1.1
234.05627	0.7
235.05864	0.8
235.15108	0.7
237.04274	2.1
240.03006	2.5
241.03743	0.8
246.09277	0.9
248.07010	0.7
250.05107	0.7
253.16220	3.4
254.04807	0.8
255.05354	1.0
264.10236	0.9
265.03775	19.7
265.06848	0.9
266.04330	3.2
267.17859	12.9
268.02414	0.4
268.03424	0.4
268.06128	3.5
268.18292	0.9
269.06961	0.7
274.05054	2.1
274.08658	1.5
275.05829	1.2
278.04575	8.5
279.05084	1.4
289.07443	0.9
290.08237	5.5
291.08749	0.8
292.06195	7.0
293.06891	5.3
294.07452	1.3
296.02072	1.4
296.05289	1.1
299.05908	0.7
300.06650	3.6
301.07266	1.5
302.04507	1.0
303.05316	14.2
304.05786	1.7
308.09225	6.3
309.09628	0.9
310.11722	0.8
311.07892	5.9
317.06714	0.6
318.07681	43.0
319.07974	5.1
321.06360	1.5
322.06827	0.6
324.05154	0.5
325.05948	1.4
336.08746	49.0
337.08975	4.9
338.06674	1.3
339.07513	4.2
354.09799	100.0
354.20770	3.6
355.10031	10.5
356.00891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2116
Annotation	Guayulin B
Peak:m/z	Relative Intensity
59.01251	0.5
71.00747	0.4
71.04868	0.2
79.95606	1.1
96.95885	7.6
107.04864	0.3
122.97462	0.4
128.61504	0.2
147.08064	0.5
163.11186	92.2
164.11526	5.0
177.09116	71.2
178.09439	4.5
194.05788	0.3
222.08894	0.6
230.59949	0.3
353.21149	100.0
354.21509	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	353.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97942	1.0
59.01237	2.6
60.99151	0.9
61.31983	0.9
65.13924	0.8
69.94920	4.5
70.65842	0.8
71.01247	1.6
71.91519	0.8
72.02036	1.2
74.61093	0.9
75.51454	1.1
87.04386	1.9
96.95882	2.7
124.79302	0.8
155.32513	1.2
190.20041	1.1
233.09767	1.0
265.25345	24.2
266.25803	1.3
279.26837	7.6
279.42050	1.1
281.24878	7.3
291.26758	1.3
309.27960	100.0
310.28336	11.4
353.20416	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	353.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38671	3.2
59.01248	15.1
67.01764	3.8
70.59010	10.1
71.01243	11.2
72.99168	5.3
73.50549	2.9
74.06249	3.0
82.96130	2.9
85.02807	3.4
87.00743	11.4
89.02296	5.0
93.03330	54.1
96.95867	10.8
101.02325	9.4
111.04388	5.0
113.02310	5.6
119.03334	4.0
129.01849	3.4
137.46490	2.9
137.79550	3.0
155.03461	3.6
157.05151	3.1
173.04474	24.9
191.05505	20.7
240.28279	2.8
263.92233	3.2
334.96436	3.7
353.06561	6.0
353.10852	100.0
354.11258	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	353.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48863	1.8
55.01753	2.2
59.01247	71.6
64.59624	1.7
65.73764	1.9
70.28102	5.5
71.01248	35.7
73.02813	13.9
81.08195	1.7
83.01254	8.1
83.99644	1.5
84.78311	1.8
85.02821	16.9
89.02334	9.8
89.81296	1.7
95.01257	3.2
97.02795	1.9
98.19827	2.1
99.00739	6.8
101.02323	32.8
102.02668	2.1
113.02307	16.6
115.68082	2.0
126.58791	1.8
159.02878	3.3
161.04489	14.2
191.05453	2.0
207.24983	1.9
221.10251	100.0
222.10648	3.4
251.11493	4.3
293.88019	2.3
353.14526	22.3
354.14737	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	353.1029
Annotation	Licoflavonol
Peak:m/z	Relative Intensity
59.01236	1.3
61.32470	0.3
67.03884	0.3
69.29434	0.5
69.29845	2.3
93.03333	16.7
94.03666	0.6
97.36483	0.3
98.53530	0.3
103.05422	0.5
115.05441	0.4
117.03379	0.3
119.04911	100.0
120.05245	4.0
121.02872	0.8
122.30186	0.3
131.01299	0.4
143.04890	1.1
144.54851	0.3
145.02872	1.1
159.04378	0.4
171.04425	18.1
172.04787	0.7
175.00342	1.5
187.04022	0.5
189.05472	1.0
201.05563	0.8
207.06528	0.4
215.03444	54.5
216.03757	3.0
229.05060	2.3
233.04509	48.2
234.04863	2.7
241.04962	0.7
247.06067	1.2
251.05580	1.2
259.06097	1.7
267.17651	0.5
295.06091	1.6
317.08057	0.5
335.09213	3.2
353.10278	59.8
354.10657	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	353.1028
Annotation	Castillene C
Peak:m/z	Relative Intensity
57.03317	0.8
59.01245	5.3
64.81791	0.5
65.00185	7.9
68.99674	3.2
71.01221	0.8
71.52461	0.5
71.69306	0.5
79.05392	4.8
81.03312	0.5
83.01273	2.8
85.02791	0.7
87.04391	0.7
91.66213	0.6
93.03324	6.5
95.04907	2.0
97.06461	0.8
100.86429	0.6
101.02254	0.5
103.05392	1.1
108.02044	1.6
109.02833	1.8
115.30643	0.6
117.03338	1.4
119.04910	68.5
120.05241	3.0
121.02784	1.1
121.06505	3.8
123.04405	2.9
133.02789	0.9
135.04422	0.8
137.05981	3.2
143.04936	2.3
145.02806	3.0
145.06483	1.3
146.03696	0.6
147.04376	4.7
148.01515	0.9
149.02441	0.8
149.99454	0.6
150.03108	0.8
151.00221	1.1
159.04402	0.7
161.02361	2.0
161.06006	3.4
162.06248	0.8
163.03883	3.4
165.05493	5.7
171.04408	1.1
174.03178	0.6
175.00262	0.9
175.03874	0.7
176.01010	1.8
177.01805	2.3
185.05984	1.5
187.03931	4.2
189.05507	4.9
190.02664	1.7
191.03377	0.9
191.05426	0.7
196.00099	0.9
201.05475	0.6
203.07027	0.8
205.04956	2.9
205.88411	0.6
207.06544	4.6
215.03372	0.7
217.05136	0.7
218.02255	1.1
219.06410	0.6
222.01668	1.2
229.05043	0.5
231.02876	0.6
231.06523	0.5
233.04509	30.5
234.04849	1.8
242.05898	0.8
247.06099	1.8
248.99008	0.6
259.06094	1.4
269.04425	0.7
270.05270	1.9
279.16061	0.8
281.04599	1.2
293.29312	0.6
295.06161	0.8
309.11301	1.6
335.09140	0.6
353.10278	100.0
353.22784	2.5
354.10620	11.4
359.16342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64945	0.5
58.22384	0.5
59.01196	3.0
60.66217	0.5
65.00186	2.9
65.03773	0.6
68.99677	3.8
70.10053	2.6
71.01194	0.7
71.50108	0.5
78.42287	0.5
79.05343	1.5
81.06938	1.0
83.01208	1.6
88.60174	0.5
91.16039	0.5
91.56049	0.5
93.03357	2.6
95.01230	1.2
98.20136	1.4
103.05374	0.7
105.06972	5.1
107.04910	10.1
109.02726	0.8
109.99918	0.7
112.31063	0.5
117.03262	1.4
117.06934	0.9
119.04868	1.1
121.02790	0.6
123.04338	1.4
123.07970	1.8
125.47913	0.5
129.06946	1.7
130.04071	1.0
131.01216	1.4
131.04927	5.9
133.02753	2.4
135.04427	3.7
145.02794	0.6
145.06505	3.5
147.04343	0.7
147.08052	21.8
148.08369	1.2
149.04893	0.6
149.05980	11.4
150.06320	0.6
155.04938	0.6
157.06421	1.4
158.03596	0.9
159.04422	3.1
161.05928	1.1
163.00214	2.1
172.05139	0.9
173.04616	0.7
173.05991	7.9
175.00269	4.0
175.03899	7.1
175.07553	0.6
176.98242	0.7
177.01726	0.9
177.05495	2.6
177.98906	0.5
189.05490	3.7
190.06265	6.5
191.07053	42.2
192.07346	2.1
199.24971	0.5
201.05426	2.3
202.99861	0.8
203.03418	4.4
217.04993	9.4
218.05750	8.3
219.06215	0.8
227.03427	0.7
228.03743	0.6
239.10786	1.1
245.04523	2.1
246.05289	6.1
247.05881	1.2
250.39601	0.5
259.06009	0.8
265.12378	1.0
279.10144	1.4
281.11832	5.3
295.02432	11.1
307.09802	1.6
309.07849	0.7
309.11273	10.2
310.11597	0.6
325.10776	100.0
326.11096	8.9
331.07715	0.5
353.10287	39.1
353.17813	2.1
354.10431	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	352.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79029	0.8
59.01244	4.0
59.33011	0.8
64.83665	0.8
69.70158	4.5
79.85506	0.9
82.02829	1.9
83.28403	0.8
85.02804	1.0
93.03353	0.9
100.03876	1.1
102.00603	0.8
102.04845	1.1
102.05489	19.0
111.07931	1.1
117.03365	1.2
119.04919	1.2
121.02837	16.2
123.75553	0.8
128.03423	38.1
128.04376	1.8
128.07037	2.0
146.04488	72.2
147.04532	3.2
149.02342	100.0
150.02669	3.5
151.03844	1.7
163.03903	3.9
164.04698	83.8
165.05037	4.6
172.02426	4.3
175.00328	5.3
177.01817	4.6
178.06183	3.0
179.07053	44.1
180.07425	1.7
190.02618	12.5
191.26517	0.8
192.04156	1.5
205.05000	22.8
206.05180	1.4
206.08163	1.3
207.06598	1.9
218.04524	1.7
222.07634	1.9
223.06075	31.9
224.06340	1.2
232.06149	2.0
233.06693	1.2
234.07652	2.6
241.14409	2.9
247.08397	1.5
260.05783	0.9
262.10791	10.3
264.12210	1.8
267.48715	0.9
290.10291	2.0
308.11383	7.5
320.46466	0.9
334.09317	20.6
335.09518	1.2
352.10324	52.0
352.22308	1.3
353.10675	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	353.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89477	0.3
53.19854	0.2
59.01251	2.3
65.00188	0.8
67.01749	0.5
83.01280	0.4
91.01792	0.3
107.04922	0.4
109.02847	1.4
109.22010	0.3
117.03339	14.5
118.03712	0.5
119.04918	0.5
131.04863	0.5
133.02829	2.0
145.06459	0.3
147.04431	0.9
147.08058	0.4
149.02266	0.5
149.05949	0.8
159.04420	0.4
161.02359	2.0
163.00288	1.0
173.06024	0.6
175.03923	4.9
177.01843	4.0
183.04433	0.4
191.05540	0.5
191.07082	0.6
193.04951	0.4
207.08134	0.5
215.07138	0.8
217.04880	0.7
223.07713	0.3
225.05595	0.3
235.06097	2.8
243.10321	0.3
251.07146	1.8
268.03741	0.9
269.04352	0.4
281.04666	2.8
282.05289	2.2
290.20709	0.3
292.49863	0.3
293.04523	4.5
294.05112	1.4
295.06100	12.5
296.06235	1.2
319.06210	0.5
320.06528	0.3
325.07205	0.4
325.10696	1.4
335.09259	2.9
353.10275	100.0
354.06235	0.6
354.10614	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	352.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.8
67.01759	1.0
70.67876	0.5
71.01260	1.9
72.99213	0.6
82.02850	0.9
83.01261	0.8
83.63909	0.5
84.04415	0.7
85.02812	4.5
93.03329	1.9
100.03895	0.7
101.02331	1.2
102.05486	47.0
103.05825	0.7
111.00757	2.0
118.24522	0.5
121.02843	5.7
128.03424	50.2
128.07065	3.0
129.01848	0.8
129.03777	1.0
135.04408	2.8
137.02319	0.6
146.04489	100.0
147.02972	0.7
147.04761	2.4
148.03860	0.6
149.02342	42.4
150.02776	1.1
151.03839	0.6
163.03960	1.6
164.04701	37.5
165.05063	1.4
166.05066	1.0
172.02380	1.7
173.04442	3.6
175.00255	3.6
177.01794	2.0
178.06226	1.3
179.03485	1.4
179.07068	21.1
180.07475	1.3
190.02667	9.5
190.05084	1.1
191.03320	0.8
191.05521	1.1
192.04239	0.8
195.13879	1.2
204.06488	0.6
205.05019	14.1
206.05327	0.7
206.08188	0.8
207.06561	1.2
218.04465	0.8
223.06055	15.2
223.13293	2.5
224.03224	0.6
224.06410	0.9
232.06113	0.7
234.07597	1.0
241.14439	5.0
262.10751	5.3
275.07858	1.0
290.10486	1.0
293.08847	1.1
308.11249	2.8
334.09314	9.6
352.10339	24.3
353.10672	2.5
353.16025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63943	0.6
57.03299	0.7
59.01246	100.0
60.01591	1.0
69.66468	4.6
71.01244	12.0
73.02811	5.7
75.00777	0.8
80.96396	2.0
83.01262	1.9
85.02824	5.4
85.60494	0.6
87.00766	0.7
89.02333	3.0
89.31113	0.6
91.26589	0.9
97.02808	1.8
98.19748	0.8
99.00753	1.4
99.04377	0.8
101.02316	6.2
102.05486	0.6
103.03888	6.3
113.02330	5.1
118.24366	0.6
118.94189	0.6
132.22360	0.7
133.02852	1.2
143.03378	1.0
149.02271	0.8
159.02954	1.0
161.04472	7.9
175.02724	2.3
185.94229	0.7
186.95413	0.7
190.05048	1.1
261.38931	0.7
307.10309	0.9
309.15497	0.8
351.12881	7.2
351.16559	1.3
352.10400	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	351.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31917	0.5
59.01248	100.0
60.01584	1.2
67.01766	0.7
69.35026	4.1
71.01258	1.1
72.99178	0.6
73.02826	0.8
75.35683	0.6
83.01266	0.8
85.02868	0.5
95.47498	0.4
111.00783	2.1
119.04945	1.2
143.03447	1.6
161.02350	0.7
162.64603	0.4
163.03897	0.7
169.41673	0.4
178.87053	0.6
192.36856	0.4
219.02950	0.5
317.26724	0.5
327.08966	1.5
351.14462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2537
Annotation	(-)-Ebelactone B
Peak:m/z	Relative Intensity
61.94861	3.6
66.17551	3.5
71.01247	9.2
71.29317	6.5
71.40405	4.2
72.02039	9.4
73.02794	7.4
87.04380	56.8
99.04394	4.4
139.07593	7.2
153.09071	4.2
155.14310	11.1
239.48672	3.8
263.23819	33.6
271.24478	5.3
277.25397	9.0
279.23276	12.1
289.25397	12.0
307.26389	100.0
308.26740	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	351.087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.0
66.00826	0.2
69.22741	2.4
70.22661	0.2
74.95614	0.2
85.32004	0.3
110.15836	0.2
117.03342	17.3
118.03662	0.7
119.04861	0.4
130.34741	0.2
133.32246	0.2
135.04323	0.3
157.06406	0.3
163.03949	0.7
171.04428	2.2
173.02322	0.7
175.00320	0.6
198.03131	0.3
203.73297	0.2
213.05496	8.8
214.05869	0.7
215.03439	11.2
216.03751	0.7
231.06467	0.3
233.04512	3.0
249.05589	0.3
251.03381	0.3
271.09659	0.7
289.08685	0.8
293.04535	16.1
294.04941	1.2
305.08182	0.6
308.03220	0.3
319.06119	0.4
328.17242	0.2
333.07660	18.8
334.07932	1.3
335.05600	2.9
351.08710	100.0
352.09033	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	351.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	7.2
59.01252	14.0
62.44645	0.7
69.18638	3.7
69.19071	4.2
71.01252	9.1
73.02814	17.3
73.03202	1.5
75.00748	1.0
78.38120	0.7
83.01251	1.6
85.02818	17.3
87.00771	1.1
87.04387	15.7
89.02322	2.9
97.02826	2.9
99.04378	2.4
101.02323	3.7
101.06010	0.7
103.03886	100.0
103.70473	0.8
104.04269	2.3
105.97669	0.7
111.00750	1.7
113.02319	3.4
115.03887	10.6
117.05443	3.1
119.03448	1.2
127.03876	1.1
128.03467	1.3
136.07585	1.2
145.04971	7.1
146.04504	3.5
149.02354	4.2
160.03944	2.0
161.04398	1.7
164.04643	2.4
170.04500	1.8
175.06044	1.1
179.07114	1.3
205.04965	1.0
235.11166	0.8
245.94333	0.9
247.08182	9.7
247.10622	1.1
265.09326	5.4
321.11865	7.9
333.11819	3.4
351.12918	63.3
351.16373	3.0
352.09686	1.2
352.13904	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15990	0.2
58.54836	0.2
59.01250	1.2
59.57145	0.2
65.00191	0.8
69.88641	0.6
69.89052	0.3
73.23725	0.2
79.05389	0.2
82.79684	0.1
98.20480	0.2
103.05391	0.2
105.06984	0.3
106.47480	0.2
106.56445	0.2
107.04886	1.3
109.02817	0.3
117.98679	0.2
119.04946	0.2
120.95357	0.2
124.99339	0.2
129.06941	0.7
131.04887	1.5
132.02049	0.5
133.02844	20.6
134.03201	0.6
141.96025	0.2
145.06415	0.3
147.04373	0.2
149.05980	2.0
155.04866	0.2
163.03918	0.3
171.04317	0.2
171.08015	0.2
172.05174	0.3
173.02316	0.3
173.04576	0.3
173.05983	2.8
174.03163	0.2
175.03917	3.6
187.07568	0.4
197.05965	0.4
198.03154	0.2
199.03906	2.1
201.01886	1.9
215.07103	1.4
217.04993	3.4
227.03613	0.2
242.02242	0.2
243.02939	0.3
247.07475	0.3
249.05553	0.2
263.07156	0.4
264.07681	0.2
265.08725	0.6
277.05118	0.3
279.10159	0.3
283.09824	0.3
289.08698	0.4
291.06671	0.6
292.07263	0.3
293.04541	0.7
305.08252	0.3
307.06104	0.6
307.09814	0.9
309.07712	0.4
319.06042	0.5
321.03986	3.3
321.07681	0.3
322.04349	0.4
323.09125	0.4
333.07645	1.8
335.05585	5.6
335.09482	0.4
336.06360	4.7
337.06769	0.3
351.08701	100.0
352.09030	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	351.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98024	1.9
64.42878	2.2
66.12744	2.0
71.11523	4.3
71.76910	2.1
72.99180	6.2
73.02840	3.3
75.12639	2.0
80.25700	1.9
85.02828	3.5
97.02840	4.3
111.00761	43.7
119.04910	83.2
120.05166	2.9
143.03384	8.8
154.99733	2.9
163.03920	100.0
164.04204	3.3
169.01305	15.1
173.00793	12.5
183.87294	2.1
189.37724	2.1
205.03494	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0869
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
59.01234	2.8
65.00193	3.6
65.03813	0.4
70.30873	0.5
71.10417	0.9
74.93562	0.5
79.05407	0.7
93.03323	3.3
95.04884	1.8
98.20420	0.8
103.05421	1.8
105.06978	2.8
107.04896	5.5
119.04859	0.5
123.04400	7.5
129.07018	3.5
130.04083	1.0
131.04910	6.7
133.02858	2.9
143.04895	0.7
145.02850	2.4
145.06464	1.2
147.04416	0.6
149.05978	16.1
155.04871	0.9
157.06425	0.7
158.03714	0.7
159.04402	1.9
161.05989	1.6
171.04440	0.9
173.05981	12.2
174.06497	0.5
175.03882	2.9
185.05931	0.8
186.06624	0.5
187.03894	1.8
189.05505	5.3
195.13754	0.5
199.03903	1.1
201.01837	0.8
201.05544	1.4
201.42595	0.5
202.06384	0.7
211.42905	0.5
215.03432	0.9
217.04994	29.2
218.05348	1.6
224.04770	0.5
229.04990	1.0
230.05762	2.5
231.06197	0.5
240.04170	0.5
241.04953	0.7
243.02887	0.8
251.10402	0.6
252.04208	1.0
257.04593	1.2
258.05475	0.6
262.04837	1.6
263.07068	1.2
268.03732	1.0
277.04984	0.6
279.10315	2.2
291.06616	0.9
292.07434	0.6
293.21201	1.6
295.09711	3.1
305.08231	0.7
307.09744	5.1
323.09210	24.1
324.09705	2.6
351.08691	100.0
351.16907	3.2
352.08978	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	349.2381
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
57.03305	9.6
59.01253	12.8
60.60958	2.5
69.03316	4.5
69.97407	6.3
69.97801	3.6
71.01249	21.4
71.04900	4.8
72.02022	14.6
73.02805	10.2
77.32668	1.9
81.03326	2.8
82.29979	2.1
83.04894	4.2
87.04383	100.0
94.45621	2.3
97.06446	6.6
99.04382	6.6
109.06477	3.6
125.09570	2.6
127.11200	5.3
135.08044	3.2
139.07541	18.7
142.43596	2.1
153.09099	21.0
153.12726	6.0
167.14308	4.5
205.19548	10.3
261.22159	27.6
269.22641	8.2
275.23929	2.8
277.21783	10.8
277.24963	2.8
287.23801	19.3
305.24841	54.3
306.25101	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	351.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27851	0.8
62.44163	0.9
65.00192	2.0
67.01752	3.3
71.60782	0.8
73.02809	5.8
97.02811	3.3
97.76219	1.0
111.00762	12.7
112.01038	1.2
119.04906	61.4
120.05222	2.9
131.01711	0.9
134.46265	0.9
143.03375	12.2
163.03908	100.0
164.04228	4.5
169.01324	10.9
229.29362	1.0
229.53731	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	0.9
59.01250	45.7
64.14227	0.7
69.55594	2.2
69.56017	3.4
71.01248	2.0
71.56197	0.8
74.71777	0.9
82.47701	0.7
83.01244	1.1
85.06450	2.3
87.04388	7.6
89.02310	1.1
97.06431	1.0
101.02319	1.0
117.43643	0.8
125.05995	1.6
133.10144	2.1
135.04414	2.8
146.41267	0.8
147.04424	1.6
149.05992	8.7
150.06749	1.3
151.07513	0.8
160.05238	1.5
161.05972	3.1
162.06775	0.9
175.07567	9.9
176.08334	3.4
177.05505	1.4
177.09134	10.4
188.04694	2.6
189.05508	3.8
189.09134	0.8
201.09097	1.1
201.30095	0.8
203.07118	1.9
203.10715	1.4
204.07825	3.5
205.08627	2.9
217.12273	2.1
218.09416	1.4
219.10193	1.7
219.13860	1.8
220.10948	10.4
221.11598	1.6
229.12299	2.9
231.10216	14.9
232.10638	1.3
233.11731	2.4
235.13425	1.0
244.11020	1.0
245.08107	3.5
245.11578	0.8
246.12645	2.5
247.13362	20.1
248.13707	1.9
261.14804	1.7
264.10043	1.7
265.60361	0.8
273.11273	2.2
275.16449	1.2
276.96561	0.7
287.16504	2.6
305.17538	30.1
306.17880	3.8
331.15512	8.8
332.15646	1.2
339.72733	0.8
349.16544	100.0
350.16873	8.9
356.18066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1865
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
52.29848	1.5
52.40337	1.6
55.01748	3.1
57.03315	3.3
58.00457	3.7
59.01250	100.0
60.01583	1.6
68.87265	1.2
71.01250	74.8
71.03548	2.6
71.03888	1.4
72.99167	2.8
73.02818	7.1
83.01251	6.1
84.01965	1.1
85.02820	21.1
87.00710	2.3
87.04367	2.8
89.02315	50.2
95.01258	4.3
99.00742	3.7
101.02317	36.9
102.98497	3.9
104.76728	1.2
113.02329	23.3
117.82086	1.2
119.02583	1.6
119.03391	19.0
131.03334	1.2
143.03381	3.8
149.04465	1.1
161.04431	12.7
166.32706	1.1
179.05466	3.1
187.13312	7.9
196.64629	1.4
205.98436	1.4
288.56448	1.2
349.14667	1.9
349.18692	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.7
67.01765	1.8
69.16827	0.5
69.88557	3.7
71.01239	0.6
71.04887	1.9
79.05395	0.7
84.69887	0.6
107.04922	3.9
119.04920	0.7
125.05917	1.0
133.10143	0.7
135.04356	1.5
145.10126	0.7
149.06009	0.7
150.06770	1.0
161.05981	21.5
162.06529	1.4
163.07556	4.5
165.73463	0.6
173.06003	2.2
175.03934	0.7
175.07556	3.3
175.30179	0.6
176.08243	0.9
177.09119	8.2
183.11658	2.1
185.13318	1.6
187.03871	1.1
187.07552	6.5
188.08356	0.8
189.09132	14.1
190.09631	0.6
201.09109	1.0
203.07036	2.0
203.10732	3.3
205.04999	8.3
205.08641	1.3
207.06525	1.6
213.09155	5.1
215.07117	1.4
217.12242	1.8
219.10168	0.7
229.12285	13.6
231.10225	4.4
235.13295	4.5
247.09669	1.5
247.13396	5.3
259.13275	1.0
261.11191	0.8
265.10822	6.5
269.15317	0.8
273.11520	0.8
287.16513	14.4
288.16821	0.9
289.14368	1.3
305.17593	7.6
331.15509	3.5
349.16525	100.0
350.16821	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	349.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67617	0.4
59.01249	3.0
67.01749	1.7
67.52781	0.4
69.48510	3.4
71.04887	1.7
72.74800	0.5
79.05392	0.8
79.08607	0.4
84.42085	0.4
93.03326	0.5
102.47009	0.5
107.04896	5.0
108.19766	0.4
119.04912	0.5
119.42600	0.5
125.05999	1.0
133.10181	0.5
145.10100	0.5
147.04497	0.7
147.08047	0.5
159.04408	1.1
161.05981	26.4
162.06467	1.7
163.07532	3.2
171.08084	0.4
173.05994	2.6
174.06686	0.9
175.07549	2.1
177.09052	0.7
183.11679	1.9
185.05983	0.7
185.13281	1.7
187.03893	1.1
187.07555	8.0
188.08014	0.8
189.09137	15.9
190.09528	1.2
200.08249	0.4
201.09161	1.1
202.09874	0.9
203.10680	2.3
205.05000	9.1
205.08627	1.5
206.05264	0.4
207.06531	0.7
213.09126	5.1
214.09691	0.6
215.07077	1.3
215.10681	1.4
217.12202	1.2
220.10927	0.8
228.11435	0.8
229.12277	16.3
230.12572	1.3
231.10158	4.6
233.08144	0.7
235.13390	1.2
241.12267	0.5
243.13829	1.2
245.08173	1.4
247.09656	0.8
247.13326	6.4
255.10292	0.6
257.15363	0.6
261.15289	0.7
264.10110	0.5
265.10730	1.9
269.15347	1.0
271.13391	0.5
273.11356	1.5
287.16519	16.8
287.19720	1.0
288.16858	1.8
289.14478	1.4
305.17578	10.0
306.17798	0.9
331.15506	3.9
349.16534	100.0
350.16901	10.5
371.17236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1653
Annotation	7alpha-Hydroxyeurycomalactone
Peak:m/z	Relative Intensity
51.49211	0.8
56.81290	0.8
59.01237	1.9
65.20026	0.9
66.73873	0.9
70.85561	2.5
74.32917	0.8
75.16034	0.9
79.44669	1.1
80.61768	0.9
85.06450	1.8
87.04387	8.4
95.04908	0.9
96.80116	0.9
97.06411	1.1
103.81768	0.9
110.84688	0.9
119.04909	1.2
121.02827	1.0
125.05956	2.1
133.10123	2.6
135.04448	2.8
146.08565	0.9
147.04402	3.0
149.05988	8.3
150.06717	1.7
160.05222	1.5
160.50768	0.9
161.06042	4.2
162.06792	1.7
163.07538	1.5
167.61775	0.9
175.03835	1.2
175.07559	10.3
176.04779	2.0
176.08299	3.5
177.05513	2.0
177.09128	12.6
188.04694	1.8
189.05463	3.4
203.07033	2.3
203.10564	0.9
204.07860	5.3
205.08612	3.1
217.12299	2.2
219.10173	1.6
220.10983	8.2
221.11609	1.0
229.12230	6.8
231.10216	14.7
232.10562	1.2
233.11879	1.4
235.13301	1.6
244.10941	1.7
245.08101	4.5
246.12564	3.4
247.13339	20.3
248.13701	1.7
261.14972	1.5
264.10092	2.0
273.11328	2.0
275.16498	2.2
287.16534	2.8
289.14508	1.8
305.17554	30.1
306.17822	1.9
331.15457	10.2
332.15704	1.4
349.16544	100.0
350.16898	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	349.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.3
59.00957	0.7
59.01250	12.9
71.01238	0.6
73.02784	0.4
83.90318	0.3
85.06441	2.0
87.04381	8.2
89.02230	0.4
94.02775	0.3
95.04890	0.9
97.06445	1.3
105.06934	0.8
107.04986	0.4
114.70266	0.3
119.04924	0.6
121.02840	0.9
121.06477	0.4
125.05988	2.6
131.72427	0.4
133.10092	1.8
135.04420	3.0
136.05215	0.5
137.05962	0.7
147.04399	1.8
148.05180	0.6
149.05969	9.5
150.06775	1.7
151.07489	0.9
151.11153	0.4
152.12363	0.3
160.05173	0.6
161.05980	3.5
162.06770	0.7
163.07486	0.9
175.03935	0.8
175.07555	10.6
176.04678	1.3
176.08321	3.7
177.05547	1.7
177.09122	11.1
187.03909	0.4
187.07544	0.4
188.04688	2.8
189.05495	3.6
189.09134	0.4
190.06201	0.7
191.10640	0.8
201.09061	0.9
201.12769	0.3
202.06375	0.8
202.09930	0.6
203.07005	1.9
203.10735	1.8
203.14360	1.1
204.07840	4.8
204.10960	0.4
205.08611	3.2
205.12253	0.9
214.09964	0.6
215.10477	0.4
217.08650	0.5
217.12254	1.5
218.09412	1.0
219.10223	1.8
219.13756	1.8
220.10985	9.8
221.11533	0.8
229.08755	0.5
229.12283	5.9
230.05684	0.6
231.10205	15.7
232.10663	0.9
233.11797	2.2
235.13312	1.1
244.10957	1.1
245.08156	4.8
245.11749	1.2
246.08711	0.6
246.12518	2.9
247.13348	22.8
248.13754	1.3
257.15311	0.6
259.13336	1.3
261.14908	1.3
264.10010	2.1
269.15460	0.5
273.11328	3.0
274.11700	0.5
275.16422	1.2
287.16522	3.3
289.14349	1.5
291.12234	0.8
305.17560	30.7
306.17859	2.6
331.15457	8.7
332.15784	0.7
349.16522	100.0
350.16824	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	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13430	0.8
59.01249	100.0
60.01565	0.9
70.02921	1.8
70.03322	2.6
71.01247	4.7
73.02818	1.1
75.09740	0.8
84.50991	0.7
85.02833	1.6
85.76125	0.7
87.00745	0.9
89.02305	3.3
91.91632	0.9
95.23844	0.7
98.20511	1.0
101.02347	1.8
113.02330	3.1
119.03363	1.6
145.04959	0.9
155.74327	0.8
161.04482	1.8
225.61684	1.0
248.74310	0.7
276.43396	0.8
349.18762	1.8
355.30359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77786	1.4
59.01250	100.0
71.01247	4.0
71.51927	2.9
89.02325	2.0
90.74508	1.4
101.02340	2.7
103.91914	2.1
118.99197	2.5
119.03406	1.8
128.61086	1.3
139.55498	1.3
160.01595	2.2
172.97285	1.4
174.99118	5.7
175.03917	2.6
176.97900	2.1
181.15146	1.4
190.85106	2.3
190.94955	1.5
190.97687	3.2
206.82321	3.1
206.93475	2.3
207.93262	1.8
217.00259	19.7
262.67944	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	349.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42323	3.2
59.01249	100.0
61.98700	78.0
71.01258	8.9
71.10928	5.7
85.02826	5.7
89.02321	8.0
101.02300	5.3
101.64582	4.1
106.54549	3.8
107.04949	4.1
130.13049	3.9
155.01088	3.6
157.09587	3.7
161.05971	11.3
171.54846	3.6
173.99376	4.5
175.03951	5.0
189.09061	8.2
194.72478	3.6
205.04984	4.7
229.12267	5.0
235.13452	6.4
235.39273	4.0
262.39926	3.7
277.14420	4.5
287.16577	4.7
349.16629	36.8
349.23660	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	349.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	39.2
67.19696	4.0
71.01249	23.1
71.21307	4.1
71.51401	7.3
71.81383	4.9
73.02837	7.1
77.93702	4.9
78.78585	4.5
82.27909	5.1
85.02827	9.4
89.02319	26.7
89.02781	4.6
101.02336	14.3
102.98466	10.1
113.02324	13.7
117.03164	5.1
119.03378	7.5
151.06044	6.7
160.59123	5.0
179.05537	11.3
191.05537	15.3
217.05246	8.3
240.73608	4.9
243.64505	5.2
289.02475	9.1
313.11383	100.0
349.09293	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1449
Annotation	NFAT 68
Peak:m/z	Relative Intensity
50.60818	1.0
53.76333	1.0
57.03312	1.5
59.01250	35.6
61.98687	1.1
65.03816	1.4
65.69771	1.0
71.52493	1.5
71.52837	1.3
81.03342	1.3
81.80119	1.2
83.04897	21.9
85.69854	1.0
86.88515	1.1
87.08232	1.0
88.56650	1.2
91.01785	2.1
93.03335	3.0
103.40656	1.4
107.04886	2.0
109.02821	6.7
117.03299	1.1
121.02838	38.8
123.08044	50.2
124.01570	1.6
125.02335	1.3
131.04932	1.9
133.02843	1.8
135.00768	4.0
136.01552	3.1
137.02357	6.0
139.36325	1.3
143.04947	2.6
145.02835	2.1
147.04445	1.2
149.02348	12.3
150.03111	4.0
152.00984	2.6
153.01822	2.8
157.06462	2.2
159.04443	2.7
159.08096	1.4
161.02344	4.6
161.05972	6.1
164.03455	3.6
165.01808	5.0
169.06416	1.6
173.05916	2.2
176.03401	5.2
176.04758	1.7
177.01831	3.5
178.01355	2.4
181.06596	1.7
183.08060	3.3
187.03912	15.2
188.04683	2.6
189.05478	1.6
199.07558	1.6
201.05489	1.9
202.06084	1.4
203.07045	3.4
203.10664	2.0
205.04991	2.8
207.07988	1.5
211.07547	2.1
213.05302	1.3
214.05022	3.1
215.05759	3.6
216.06554	3.3
227.07071	8.3
229.08594	5.8
232.05922	1.6
234.07999	1.7
243.06534	2.7
243.10233	2.0
245.08180	4.1
245.11763	2.0
246.08496	6.0
246.12012	1.3
247.06096	1.3
254.08101	5.6
256.09732	18.2
263.07605	1.4
271.09741	52.2
272.10089	5.5
277.14386	4.3
285.11194	1.9
288.08569	2.1
289.10806	42.3
290.11096	3.8
298.10864	8.7
301.14484	3.3
303.12476	5.3
304.16269	2.8
310.27356	1.1
314.13965	55.9
315.14337	4.6
316.11874	100.0
317.12177	8.4
321.13464	1.8
330.13391	2.4
331.13895	1.5
348.14487	63.4
349.15750	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	347.2226
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
51.68676	0.8
57.03047	1.4
57.03320	21.4
59.01238	3.8
64.94324	0.8
65.03851	3.6
67.01752	1.3
69.03326	17.8
71.01250	1.4
73.27874	0.7
81.03335	2.7
83.04895	22.9
85.02829	1.3
85.06417	0.9
91.05382	1.7
93.03334	2.7
93.06974	1.0
95.01239	1.9
95.04892	4.6
96.02044	0.9
97.02833	27.6
97.06477	1.5
99.04379	1.9
99.08032	8.8
106.04096	1.1
107.04951	1.5
107.08540	4.8
108.02036	3.1
109.02821	2.9
109.06467	4.8
111.00773	2.3
111.04443	1.3
111.08043	1.3
113.09609	14.9
117.06966	1.0
119.08549	2.9
121.02837	2.2
121.06435	2.0
121.10113	11.3
122.03625	6.9
123.04382	1.0
123.08056	1.4
125.05944	3.8
127.07531	1.5
127.11179	1.0
128.01071	1.1
129.09113	11.4
133.06506	0.9
133.10139	0.8
134.07347	0.8
135.04391	4.5
135.08054	1.1
135.11697	1.2
136.05150	0.9
137.09613	1.2
139.11185	1.7
147.08034	1.6
147.11690	5.5
149.05957	1.5
149.13237	1.7
151.07536	1.0
151.11278	1.0
159.11708	2.1
160.08846	2.3
161.09616	2.2
163.07521	1.3
163.11087	0.9
163.14694	0.9
165.05525	1.1
165.12718	1.2
166.30266	0.7
173.09641	1.7
173.13274	2.8
175.11205	1.3
175.14841	1.3
176.15216	0.7
177.12758	2.6
179.14389	3.8
185.09692	0.8
185.13298	5.3
187.11157	2.1
187.14793	0.9
189.09172	1.0
189.12730	1.3
201.12784	2.4
203.10684	3.8
203.14337	16.9
204.14633	1.2
205.12300	2.7
214.13594	1.5
217.12259	6.1
219.13811	4.5
229.12277	2.7
233.11710	1.7
235.13460	0.9
245.08185	1.5
247.13368	16.3
267.21249	4.1
285.22235	3.3
329.21274	3.1
347.22244	100.0
348.22696	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	347.2224
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
52.28580	1.3
57.03056	1.4
57.03326	24.4
59.01233	2.9
61.87543	1.1
65.03831	6.0
65.40590	1.2
69.03325	20.8
81.03340	4.7
83.04892	24.6
93.03339	3.5
95.01256	2.6
95.04900	15.1
95.75265	1.3
97.02828	28.6
97.06480	2.8
99.04382	6.3
99.08042	7.2
105.06967	2.6
107.04876	1.5
107.08559	15.0
108.02061	4.2
109.02805	3.7
109.06457	9.6
111.00745	3.9
111.04368	1.4
111.08054	1.7
113.09610	9.0
119.04887	2.0
119.08543	2.0
121.02811	3.8
121.06445	2.7
121.10114	19.5
122.03628	8.8
123.08054	2.1
125.05939	3.5
125.09614	1.5
129.09082	6.6
133.06456	2.1
135.04417	4.1
135.11627	1.4
136.05128	1.7
137.09624	1.7
139.11180	8.4
147.08078	1.9
147.11717	12.1
149.09586	2.2
149.13145	1.5
151.07558	7.5
160.08868	2.0
161.09589	3.2
163.07503	1.6
163.11198	1.5
165.09081	1.4
165.12798	1.5
173.09612	2.7
173.13075	1.4
175.11206	2.0
177.12782	4.1
185.13298	4.3
187.11240	2.5
189.09076	2.2
191.10718	4.5
201.12798	3.8
203.10727	6.7
203.14352	18.7
205.12286	4.3
217.12323	6.3
219.13969	2.3
229.12341	4.2
229.14964	1.3
229.19470	1.4
233.11836	2.4
247.13379	34.6
248.13686	1.9
267.21170	3.8
285.22360	4.0
300.36224	1.6
311.20090	1.7
329.21170	4.4
347.22244	100.0
348.22604	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	4.5
57.37343	0.8
59.01235	2.7
69.03320	8.2
71.01250	100.0
71.21482	1.9
73.46309	0.7
83.04911	1.9
97.02828	15.2
97.06456	1.3
109.06496	1.0
111.08012	1.6
113.09605	5.1
115.07526	1.0
139.11183	3.9
151.11122	2.7
163.11157	1.2
177.12766	9.4
179.10739	1.7
245.08159	1.6
267.20874	0.8
275.20081	3.2
275.23431	0.8
285.22250	3.3
303.23297	7.9
304.23517	0.9
317.31046	0.9
329.21219	8.1
347.22229	56.4
348.22607	5.9
363.89578	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	7.3
59.01252	2.5
59.89814	0.7
68.99678	3.3
69.03322	5.0
70.86031	2.0
71.01257	6.5
80.02539	0.8
83.04897	2.8
95.04886	2.0
97.02831	1.7
97.06486	4.4
99.08020	3.0
106.72015	0.7
107.04942	0.8
109.06432	0.8
111.07988	1.6
113.02353	1.0
113.09599	14.8
114.44296	0.7
115.07544	0.9
123.00757	1.2
125.09602	1.6
130.55194	0.7
137.02306	1.0
139.11172	2.3
151.11189	4.3
153.12767	1.2
163.11206	1.2
165.12756	1.5
175.14766	0.9
177.12679	0.8
183.13045	0.7
185.13263	0.9
191.14256	1.3
201.12820	0.7
203.14372	10.2
205.15886	7.5
216.31065	0.7
219.13840	1.0
245.08211	1.0
245.18849	0.8
247.13402	1.4
257.22598	0.8
259.20596	1.1
261.22162	1.1
267.21140	1.1
275.23849	4.6
285.22211	7.6
303.23279	29.7
304.23654	2.6
329.21136	1.2
347.22247	100.0
348.22559	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	347.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
57.03310	0.5
57.43687	0.3
58.00473	0.5
59.01247	100.0
60.01585	0.8
71.01252	8.4
72.99171	0.4
73.02822	2.6
83.01254	0.9
85.02821	3.7
85.30013	0.3
87.00768	0.4
89.02317	2.5
95.01285	0.9
95.45200	0.3
98.20552	0.8
99.00761	0.6
101.02319	5.1
107.80176	0.3
111.00748	0.3
111.91228	0.3
113.02329	3.1
119.03407	1.7
143.03415	0.4
161.04446	1.9
229.15576	0.3
305.16034	5.9
305.19409	0.5
306.16653	0.5
347.17328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
56.18107	0.4
57.03307	0.8
58.26304	0.4
59.01247	100.0
60.01584	1.5
68.68867	0.4
69.36657	3.7
71.01250	12.2
73.02811	3.7
79.95596	0.5
83.01271	1.4
85.02815	5.6
87.00760	1.0
89.02312	3.8
93.03336	0.5
95.01244	1.0
99.00766	0.6
101.02311	8.6
102.98471	1.1
107.43979	0.4
111.00788	0.6
113.02323	5.4
119.03366	2.2
125.02349	0.7
138.23140	0.5
143.03456	1.0
143.10724	1.0
159.02867	0.6
161.04460	4.8
183.57837	0.5
190.05379	0.5
217.08998	0.8
226.27487	0.4
260.27466	0.4
284.55270	0.4
287.66043	0.4
305.16019	10.7
305.19247	0.6
306.16571	1.0
347.08350	0.8
347.17502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64320	4.0
59.01251	100.0
68.99685	4.6
69.62029	26.0
71.01249	79.2
72.99181	21.5
73.02814	18.1
75.00738	10.4
83.01246	5.3
83.04877	4.1
84.32025	3.8
85.02831	26.3
87.00766	4.9
89.02319	18.8
96.99195	5.8
97.06449	9.1
98.19805	7.0
99.00715	3.7
99.04398	4.4
101.02319	16.6
102.98463	5.0
113.02322	16.0
115.00243	21.1
119.03370	6.4
125.05993	7.5
137.09601	5.2
138.06801	7.7
139.07535	4.3
148.07986	4.0
151.07515	5.2
153.09120	11.3
155.10695	6.1
157.50941	3.8
163.11186	4.2
165.09090	13.6
168.51276	3.6
183.10202	9.1
201.66119	4.1
207.10054	3.9
225.11353	6.9
252.08977	6.6
255.11298	4.5
267.11401	9.6
284.07950	5.4
285.12350	5.7
303.13428	4.7
311.10519	5.2
329.11383	16.8
347.09119	4.9
347.12958	21.1
347.17047	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	347.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57131	0.3
57.04958	0.4
59.01246	3.9
71.01249	0.7
71.53304	0.4
77.47844	0.3
78.77797	0.4
82.87086	0.4
85.81067	0.4
89.02303	0.4
133.81235	0.4
145.02817	3.0
146.03596	0.8
147.04427	0.5
173.02304	1.4
174.03134	15.9
175.03911	5.0
183.08012	1.0
199.07500	1.4
201.09161	2.0
206.02147	6.8
207.02545	0.5
212.04683	0.5
227.07063	6.8
245.08144	100.0
246.08484	7.4
348.14813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.0
57.03341	0.6
58.03649	0.5
59.01247	100.0
60.01566	1.1
69.32716	3.6
71.01250	12.3
71.69980	0.5
73.02818	3.7
74.07712	0.5
83.01257	1.7
85.02826	5.5
87.00744	1.0
89.02325	4.6
95.01286	1.0
97.06527	0.5
98.19838	0.9
99.00778	1.0
101.02319	7.1
102.50537	0.5
113.02320	4.8
119.03408	1.4
143.03398	0.5
143.10684	0.8
159.02936	0.7
161.04449	4.0
305.16040	9.4
306.16443	0.6
306.60248	0.5
347.17136	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00970	2.0
58.28181	2.5
59.01242	9.8
70.09647	9.1
71.01254	4.6
79.52412	1.8
83.99404	2.0
85.76272	1.9
91.01730	3.1
95.01254	2.7
105.83295	1.9
115.73873	2.5
119.01324	10.4
121.02876	2.7
122.27243	2.0
124.84061	2.0
145.04927	3.0
147.00789	6.7
147.04417	9.7
153.16609	2.1
161.04417	2.7
162.53513	2.3
163.00325	20.6
173.05983	4.6
174.03191	3.8
175.07576	3.1
177.01826	6.1
189.01923	5.2
190.02602	10.0
190.99782	61.9
192.00381	3.5
202.99773	22.1
205.01385	9.9
206.02158	2.3
218.02159	15.7
218.09352	3.2
218.99287	100.0
219.99791	6.8
232.00073	3.7
233.00804	2.6
233.04478	5.3
234.01678	11.8
245.08186	10.9
245.11685	3.6
246.01581	12.2
246.98785	32.6
261.04031	13.1
262.01163	8.2
262.03918	2.1
273.15121	2.9
276.06299	2.7
278.07990	2.5
289.03400	2.8
291.08679	6.1
303.15973	9.5
304.05829	7.1
319.08200	26.8
320.08456	3.8
332.05515	2.3
347.07730	24.0
347.14893	15.5
347.18497	5.2
347.22266	4.0
348.08578	2.6
348.14154	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	346.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12978	3.5
55.41349	3.5
56.09926	3.5
56.72124	3.3
57.03333	9.6
58.05476	3.6
59.01237	9.2
61.98683	3.6
62.44642	3.6
65.03838	5.7
69.03316	7.3
69.35084	3.6
70.44598	3.1
71.52628	7.5
72.48934	3.2
73.36765	3.2
80.02542	25.6
83.04884	10.9
84.30680	3.4
96.07877	3.5
97.02827	12.9
99.04398	30.4
107.01261	10.3
107.08501	4.7
108.02055	78.2
119.36278	4.1
121.10110	10.4
133.01590	4.7
135.00775	4.8
136.01588	15.4
139.11192	5.2
152.01059	71.0
153.01752	7.3
158.86481	4.1
160.05170	4.2
161.01074	42.7
175.07542	16.9
203.07124	4.2
203.14285	7.0
219.06552	8.4
219.13890	4.4
228.06601	100.0
228.08902	5.3
229.06877	7.6
246.07701	6.1
247.13356	14.4
301.10788	7.3
328.11871	52.4
329.12369	5.7
346.13043	4.3
347.22168	49.3
357.32538	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	345.2067
Annotation	4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methylpentanoic acid
Peak:m/z	Relative Intensity
54.39654	1.2
57.03302	2.0
59.01252	2.7
69.03318	10.8
69.17703	12.5
71.01248	100.0
71.57161	1.1
72.01586	2.3
74.49918	1.2
96.41775	1.2
97.02825	51.3
98.03144	1.7
98.20578	2.7
104.02406	1.2
111.08044	2.9
134.65100	1.1
137.09578	2.9
143.84093	1.3
157.30946	1.1
162.34398	1.0
177.12753	6.5
189.09114	1.2
195.52187	1.3
203.14262	2.0
215.10739	1.7
231.13832	1.4
245.11784	2.0
273.18637	2.4
283.20715	1.8
327.19653	10.4
345.20633	30.1
345.24283	2.5
346.20844	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	345.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03271	2.1
59.01194	33.7
59.01522	2.3
70.82072	1.1
70.82448	1.1
71.01212	0.8
71.04898	5.8
72.99133	0.6
73.02811	0.6
75.00680	0.8
83.04829	0.8
84.94531	0.5
85.02752	0.8
85.06397	0.9
87.04349	0.9
99.08022	3.1
109.06503	0.7
114.46429	0.4
114.64834	0.5
117.13750	0.5
121.02734	0.8
123.07937	0.5
127.11124	0.7
129.09128	4.0
133.45920	0.5
135.02832	1.2
139.11113	1.5
141.12863	0.5
143.10570	1.2
149.02219	0.6
153.12701	1.3
155.10707	2.9
165.12733	0.8
169.12210	1.4
171.13763	1.0
171.64001	0.5
174.54031	0.5
181.14503	0.6
181.15891	8.0
183.13811	3.2
227.12886	2.4
237.18539	1.5
239.20168	3.7
241.21674	1.5
255.19545	2.1
257.21198	5.2
285.17453	0.9
285.20682	19.6
286.21136	1.2
303.21750	100.0
304.22092	8.1
345.16690	1.0
345.22809	24.4
345.26456	2.5
346.12756	0.6
346.23090	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	16.4
58.00448	2.8
59.01247	6.3
60.59863	1.5
65.03817	2.0
69.03323	23.1
69.52698	8.7
69.53127	4.4
71.01230	2.6
73.02808	6.5
83.04890	21.4
85.02806	2.1
88.15019	1.7
92.53958	1.6
93.03338	2.9
93.06916	1.6
95.01273	2.6
95.04895	7.6
97.02181	2.6
97.02826	53.2
97.06452	6.4
98.19775	3.0
99.04382	2.2
106.04134	2.2
107.04900	2.4
107.08543	4.4
109.02824	9.0
109.06468	8.5
111.00762	3.2
111.04392	3.5
111.08038	43.7
112.08386	2.9
119.04890	2.2
119.08551	4.2
121.02845	3.8
121.06507	2.5
121.10117	10.9
122.03626	10.0
123.04407	4.0
123.08030	4.5
125.05973	3.4
127.07539	7.1
133.06448	1.8
133.10135	2.2
135.04387	4.7
135.08009	2.6
137.05922	1.8
147.08064	4.1
147.11700	6.8
149.06049	2.8
160.08823	3.2
161.09639	3.7
163.07568	2.1
170.19508	1.6
170.20836	1.8
171.11859	1.8
173.09621	1.8
173.13278	5.0
175.11177	2.1
177.12679	2.5
185.13226	4.2
185.70937	1.6
187.11211	2.2
189.09145	3.9
191.10683	2.3
201.09172	2.0
201.12712	3.6
203.10677	7.2
203.12494	2.3
203.14346	18.3
204.14799	1.8
205.12259	4.2
213.12875	3.8
215.10513	2.0
217.12306	11.8
219.13857	7.4
229.12355	3.0
231.13953	4.0
233.11746	5.7
247.13342	18.7
275.12808	2.3
283.20578	2.7
284.20862	1.8
311.18729	1.7
327.19724	4.9
345.20676	100.0
346.20975	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	345.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24382	30.9
58.99005	29.7
59.01249	38.6
60.09398	33.7
64.89177	38.8
71.52779	48.7
78.04677	28.9
87.02591	32.3
113.44900	32.4
130.55910	30.6
184.66808	31.7
291.19431	62.4
309.20721	71.9
315.01373	64.9
330.03659	100.0
345.29984	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93632	2.3
57.03321	33.1
58.00463	4.3
59.01243	7.6
65.03828	5.5
66.89771	2.3
67.01751	2.7
67.05360	2.2
69.03326	55.4
69.44096	2.0
70.34557	4.7
70.34922	5.3
71.01243	5.5
71.04899	3.5
73.02819	3.9
75.52126	2.1
81.03320	6.5
83.04890	29.9
85.02806	3.1
93.03295	5.2
95.01234	2.9
95.04888	21.8
97.02826	100.0
97.06471	14.6
99.04396	11.1
107.04877	4.7
107.08545	17.9
108.02059	3.0
109.02831	10.4
109.06472	17.0
111.00763	4.8
111.04378	4.5
111.08036	47.8
119.04911	3.6
119.08551	7.5
119.43075	2.0
120.05703	2.5
121.02832	6.0
121.06471	3.7
121.10119	16.9
122.03654	16.6
123.04373	4.6
123.08012	7.8
125.05970	7.9
127.07593	2.8
128.01036	4.1
131.08472	2.8
133.06479	6.1
135.04352	7.7
135.07962	4.9
137.09660	13.1
137.13867	2.3
141.81445	2.2
145.10040	3.3
147.08090	4.9
147.11693	16.7
149.05951	4.3
149.09604	6.2
151.07567	11.3
161.09668	8.4
163.11140	3.3
163.86899	2.2
173.09624	3.8
173.13174	4.1
175.07544	2.8
175.11200	5.6
177.12752	7.9
183.11459	2.2
185.13268	5.9
187.11183	5.3
189.09111	6.5
189.12820	2.7
191.10716	5.7
195.38318	2.9
201.12732	6.0
203.10721	13.7
203.14394	20.7
205.12225	7.8
213.12726	2.5
217.12245	10.2
219.13832	8.2
229.12283	7.8
233.11732	7.9
235.13251	3.1
247.10843	3.6
247.13374	62.8
248.13713	4.8
283.20612	2.6
327.19574	6.4
345.12305	2.5
345.20673	82.3
346.16916	3.1
346.20956	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	345.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35607	0.5
50.88908	0.6
51.36426	0.6
57.12453	0.5
59.01247	1.6
66.22112	0.6
69.05893	0.5
69.21764	6.1
70.29374	0.5
70.88822	0.5
91.63195	0.5
98.20618	1.3
116.21210	0.6
121.02840	0.7
149.02368	0.7
149.89754	0.5
151.03917	6.0
161.02348	51.9
162.03021	4.4
169.44228	0.6
173.06010	1.1
188.01048	0.6
189.01878	4.6
199.04086	1.3
199.92920	0.5
214.06285	1.7
215.07072	1.1
231.06567	1.3
232.07355	100.0
233.07721	6.6
260.06860	46.0
261.07281	3.3
303.17395	0.6
317.13962	4.2
345.13321	7.1
345.16934	0.8
345.28958	0.7
346.13159	1.0
346.16833	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.2
60.20250	0.5
69.47572	0.9
69.47976	3.6
97.02892	0.6
100.29977	0.5
117.03334	1.0
121.02854	0.6
123.07066	0.6
134.03661	0.6
141.07007	0.9
143.32417	0.5
145.02858	1.5
146.03644	0.7
149.02324	1.0
151.03912	1.1
157.02777	3.1
158.03645	1.0
159.04401	0.7
160.01538	1.6
160.07341	0.6
161.02336	10.8
162.03140	2.9
166.02542	0.6
171.04437	0.6
171.10178	0.6
172.01530	0.8
172.10463	1.0
173.02348	59.6
174.02681	2.9
175.03873	1.1
177.01764	0.9
185.05994	1.7
187.03905	0.7
188.01053	0.8
189.01857	10.9
189.05464	2.7
190.02536	1.9
201.01852	100.0
202.02202	5.7
203.03352	2.5
213.09117	0.8
214.06367	2.1
215.03441	2.9
215.06987	0.7
216.04262	0.7
216.08527	0.9
217.01430	3.2
217.04933	4.3
225.09145	0.6
227.03418	1.1
229.05002	6.6
231.02707	0.6
231.06587	1.0
232.07347	33.0
233.07671	1.7
243.06560	4.7
244.06883	0.8
245.04459	3.4
257.08142	2.1
260.06870	47.1
261.07516	7.8
269.08243	4.7
287.09222	8.9
288.09595	0.8
301.18411	0.6
301.43933	0.6
315.01245	0.7
315.12308	1.0
317.13995	1.6
327.12439	0.9
330.03668	1.8
345.13379	36.3
345.25351	2.6
346.13565	4.1
346.17023	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48809	0.6
59.01250	4.1
64.11649	0.5
64.79621	0.5
65.02328	0.6
70.21570	1.1
70.21948	1.2
71.01254	1.7
74.00767	0.5
75.00729	0.7
85.02777	0.9
93.03359	0.6
94.02867	0.9
95.03650	1.9
96.04439	1.0
96.08045	0.6
101.02339	0.7
104.04939	1.7
106.06499	4.5
108.04515	0.8
111.00726	1.7
112.03902	0.6
114.11105	0.5
116.16017	0.6
119.04881	3.6
122.02333	0.7
122.05993	2.4
123.03165	0.8
124.07560	6.4
132.04442	36.2
133.05231	21.9
134.06032	5.9
138.05518	0.7
148.03928	1.8
150.05479	1.7
160.07520	0.6
163.03909	1.3
165.04222	26.3
166.04539	1.2
176.03467	1.7
177.04166	3.9
178.05034	1.6
181.31680	0.6
184.07605	1.1
185.08359	0.8
186.09154	4.3
198.09177	1.1
209.03255	4.9
213.06599	3.5
214.12332	6.4
214.77354	0.6
215.11882	6.8
226.07399	0.8
227.08116	0.9
228.08786	0.8
229.09784	4.1
240.10394	1.1
241.09790	4.7
255.11443	1.0
257.12924	22.6
283.10864	8.0
301.11935	17.1
302.12231	1.4
327.09949	1.7
345.10895	100.0
346.11185	7.5
346.15106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.134
Annotation	Junosmarin
Peak:m/z	Relative Intensity
55.34482	0.9
59.19660	0.9
69.83675	3.1
69.84078	2.0
75.96371	0.8
80.94659	0.9
82.99358	0.9
85.27334	0.9
97.93251	1.0
102.41176	0.9
108.80267	0.9
117.03368	1.0
117.75023	0.9
118.04108	1.8
118.47758	1.0
145.02831	7.7
151.03920	4.4
161.02345	47.6
162.03123	5.4
169.87914	1.0
173.02322	2.6
173.06097	0.9
189.01854	25.6
190.02635	15.8
191.02971	1.2
200.04762	1.1
201.01843	2.0
201.05492	1.8
214.06262	1.8
215.03448	5.7
215.07031	2.9
216.04123	2.7
216.07796	2.5
217.01361	13.9
217.04878	1.1
222.01671	5.3
229.04901	1.3
231.06631	2.0
232.07353	100.0
233.07764	7.3
243.06581	5.9
260.06863	99.0
261.07446	10.9
287.09241	18.1
288.09436	1.3
315.12366	3.1
317.13947	5.2
345.13382	65.7
346.13605	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	345.0613
Annotation	Laciniatin
Peak:m/z	Relative Intensity
58.58630	0.5
58.77503	0.4
59.01232	0.8
65.00191	4.3
69.71074	2.6
92.99688	1.2
93.03310	1.3
96.37057	0.5
96.99164	1.6
98.13470	0.5
109.99979	10.3
111.00712	1.7
120.99191	0.7
121.02856	2.3
124.98707	0.7
133.99953	0.9
136.98689	4.6
137.99477	4.1
139.00276	8.3
139.03889	7.3
143.04857	0.7
147.00716	0.7
149.02344	20.7
149.99500	4.7
150.02628	0.7
151.00305	0.9
159.04387	0.6
161.02338	0.8
164.98199	24.3
165.98984	13.5
166.99550	0.8
171.04396	3.0
175.00276	2.5
175.03922	1.5
177.99026	3.4
178.99748	3.2
185.02365	0.6
187.03903	2.6
189.01814	0.8
191.03410	0.6
192.97626	1.0
193.98511	3.6
197.02341	0.7
199.03941	5.0
201.01791	1.4
203.03458	1.9
205.98553	2.5
214.02618	0.5
215.03464	5.6
217.01195	1.1
218.05557	0.5
219.02747	0.7
227.03456	0.7
229.01324	1.0
231.02867	2.2
241.01421	0.9
242.02167	1.2
243.02921	9.4
244.03525	0.5
245.00928	0.8
247.02390	0.6
258.01749	1.0
259.02429	3.2
271.02444	3.3
287.01913	5.5
315.01440	98.8
316.01794	7.1
330.03775	100.0
331.04086	8.2
345.06119	72.4
346.06403	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	344.15
Annotation	Reticuline N-oxide
Peak:m/z	Relative Intensity
55.01737	1.7
59.01245	0.6
59.31978	0.6
59.98384	0.7
70.81387	1.7
83.04907	1.0
85.71609	0.6
86.79974	0.7
87.04436	0.6
93.03355	0.7
101.89272	0.6
105.02628	0.6
106.04119	5.7
107.04906	4.6
110.02380	0.6
113.05973	16.0
119.04923	1.3
121.02830	1.7
121.06465	3.5
123.07987	0.7
126.71640	0.6
134.03635	7.4
135.08051	6.7
137.02278	0.7
138.03108	2.2
145.83932	0.6
147.04446	1.2
147.08060	1.1
147.19910	0.6
149.02336	1.0
149.86589	0.7
157.06487	0.8
159.03188	1.0
159.08098	2.9
161.05998	1.3
163.02719	0.7
166.02629	5.3
174.06734	2.1
183.08089	1.7
185.09624	1.1
187.07642	1.2
188.08273	0.7
198.05539	2.5
201.01723	0.7
202.02644	1.0
203.07214	0.7
212.07085	2.1
213.07832	1.3
217.07335	0.6
239.10843	1.0
241.12299	7.0
244.07404	0.8
254.08379	0.9
258.01627	0.9
259.13416	1.0
273.14941	2.8
285.11261	1.1
286.01108	2.5
288.13602	1.5
294.11288	0.8
301.03717	0.7
312.12430	7.4
314.00449	1.0
314.03934	1.3
326.10254	1.3
326.13953	15.3
327.14346	1.8
329.03067	3.9
330.03555	0.8
330.93460	0.6
344.15002	100.0
345.05698	0.8
345.15320	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	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.3
59.01237	1.2
69.03303	1.4
70.15732	1.5
78.53745	0.3
81.03320	0.5
83.04903	1.2
97.06475	0.4
99.08020	7.5
111.08019	0.6
121.10094	2.2
125.09618	1.2
127.11198	0.3
133.28494	0.3
137.09572	1.2
149.13312	0.5
164.36392	0.4
165.12758	1.1
167.22581	0.4
171.08769	0.7
171.10173	11.7
172.10606	0.3
175.11194	1.1
193.12262	13.9
194.12544	0.7
197.15356	0.7
204.60828	0.4
204.94638	0.4
211.13326	3.2
225.14903	19.2
226.15277	1.3
243.15965	7.0
255.63966	0.3
293.21262	1.8
311.22266	0.9
313.03372	0.5
325.23914	0.7
343.24854	100.0
344.25186	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0536
Annotation	4',5,7-trihydroxy-3',6-dimethoxyflavonol
Peak:m/z	Relative Intensity
59.01264	0.8
65.00214	1.0
71.00636	0.5
71.00944	0.8
79.29016	0.5
89.43208	0.5
93.03423	0.7
97.04684	0.5
120.99281	0.6
121.02835	1.1
125.09624	0.8
132.02150	0.5
133.02864	0.6
136.98734	0.8
139.03911	2.8
146.03656	1.2
147.00845	1.1
148.01636	1.9
148.98720	1.4
149.02359	4.7
149.11917	0.5
149.99490	2.5
150.23026	0.4
153.01878	1.0
157.02890	1.0
158.03668	2.8
161.02370	0.9
164.98201	1.6
169.02919	1.1
170.03616	6.5
172.01567	10.9
174.03096	3.7
175.00256	3.4
176.98239	0.9
177.98997	1.1
185.02412	2.0
186.03091	3.1
189.01909	1.8
194.99385	0.5
196.47897	0.5
197.02333	1.2
198.03194	3.5
201.01892	3.5
202.02638	22.5
203.03099	0.8
204.97739	1.1
212.01282	0.5
213.01833	3.9
214.02643	10.4
216.00677	1.4
225.08270	0.5
226.02582	0.8
229.01373	4.3
230.02145	14.3
231.02541	0.8
241.01381	2.3
242.02165	10.4
243.02681	0.7
244.00012	1.1
255.02925	1.0
257.00870	6.6
258.01645	30.5
259.02087	2.1
268.00003	0.9
269.00912	2.1
270.01669	4.4
271.02292	0.7
273.03992	0.7
283.02530	1.8
285.00421	3.5
285.03696	1.0
286.01175	65.2
287.01556	4.1
297.00381	2.0
301.03488	20.2
302.03979	1.3
312.99951	1.8
314.00671	30.2
315.01047	2.3
315.04810	0.9
329.03003	100.0
330.03442	8.6
343.21530	0.8
344.05313	27.0
344.15042	1.7
345.05731	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	343.2486
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03318	0.4
59.01236	1.2
69.03302	1.0
69.45061	3.6
71.94387	0.4
79.40760	0.5
83.04887	0.8
94.38408	0.4
97.06468	0.4
99.08019	5.2
117.52847	0.4
121.02864	2.0
121.10120	4.9
123.08039	0.4
125.09613	1.5
127.11164	1.1
133.03410	0.5
137.09607	1.6
139.11121	1.2
146.73627	0.5
148.24217	0.4
149.13293	0.5
165.12848	0.6
171.10170	29.9
172.10524	1.1
175.11180	0.6
193.12256	9.7
194.12627	0.8
211.13266	1.5
225.14890	13.0
226.15161	0.9
243.16002	4.8
293.21191	2.3
302.37329	0.4
311.22437	0.7
312.04865	0.4
313.03232	0.4
325.23788	0.7
343.24860	100.0
344.25186	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	343.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47101	0.4
57.03323	0.3
59.01257	1.9
64.03046	0.6
69.34606	3.4
71.01250	0.6
89.02322	0.7
99.08034	0.5
110.71619	0.3
121.10119	9.6
122.10456	0.4
125.09599	1.2
127.11225	1.7
137.09616	2.1
139.11180	1.3
153.09128	0.5
165.09128	0.9
171.10175	62.5
172.10504	2.3
187.47345	0.3
202.29872	0.3
242.02263	0.5
255.16086	1.4
270.01764	0.7
285.03967	0.7
293.21332	1.1
313.03522	2.5
325.23837	0.5
328.05774	0.6
329.03006	0.8
343.08340	3.8
343.24863	100.0
344.25229	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	343.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18561	0.5
57.03325	2.8
59.01249	31.3
60.01554	0.5
61.31036	0.4
68.92245	0.4
69.32359	0.4
69.34956	4.4
69.82553	0.4
70.04276	0.4
71.01247	1.1
71.04898	2.5
71.05189	0.6
72.99162	0.5
83.04873	0.9
84.01997	0.7
84.54685	0.5
85.02773	1.6
85.06461	6.0
90.15182	0.4
95.04893	0.6
97.06438	1.5
101.05910	0.7
111.07996	1.5
113.05916	1.5
113.09594	0.8
115.07533	15.1
119.04886	0.5
123.07974	0.8
125.09602	1.0
129.09042	2.0
139.11191	2.9
143.10661	2.8
179.14243	1.3
186.71709	0.5
211.13519	0.5
239.20142	0.5
255.19769	0.6
283.19131	17.4
284.19397	1.1
285.04175	0.7
301.20178	100.0
302.20505	6.5
313.03537	1.3
321.92874	0.5
343.07941	1.0
343.21231	19.9
344.21600	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	343.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00956	5.3
59.01246	100.0
71.39830	4.1
71.40182	3.7
127.55237	2.6
157.03407	5.1
159.01360	3.8
175.33336	3.4
201.00655	4.9
201.02483	71.5
202.02626	7.2
285.04016	3.6
313.03516	5.6
320.84253	2.8
343.08087	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	343.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56890	0.5
57.03355	1.8
59.01253	25.2
59.42738	0.4
63.70603	0.5
69.03366	1.0
70.47847	0.4
71.01293	0.6
71.04914	0.8
71.53356	0.6
95.04954	0.5
97.06471	3.4
111.08086	1.1
112.46903	0.4
113.09663	0.8
125.06043	0.6
127.11219	0.8
137.09656	0.6
143.07053	0.6
143.10747	0.6
155.10718	0.8
157.12239	6.1
157.13278	0.5
177.16473	1.9
199.13542	0.4
204.58577	0.4
237.18623	3.1
265.18265	0.5
283.19122	18.5
284.19427	1.5
301.20200	100.0
302.20566	7.7
313.03473	0.8
343.08237	1.4
343.21222	14.7
344.21552	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	343.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20429	0.5
57.03329	2.5
59.01249	32.1
68.99688	0.8
69.18565	5.0
69.18963	1.0
71.04892	4.9
72.99176	1.1
78.80731	0.5
80.04919	1.1
83.04893	1.3
85.02819	1.3
94.27000	0.5
97.06464	0.9
99.08028	7.0
111.04408	1.2
111.08021	1.2
115.07536	1.2
125.09618	5.1
127.07617	0.6
129.09102	20.5
132.04506	2.7
136.07574	2.3
150.05473	1.3
171.13884	0.6
237.18446	2.4
265.18066	1.4
281.12906	1.5
283.19138	17.6
284.19351	1.1
289.93091	0.5
299.13986	1.4
299.18948	0.6
301.20181	100.0
302.20499	7.2
328.01648	0.7
343.08069	0.9
343.21225	21.8
344.21585	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	342.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	5.2
57.03296	1.9
58.00463	3.2
59.01242	20.4
60.01587	2.7
67.01749	4.5
67.09621	1.8
69.03304	2.6
71.01237	12.1
71.52213	2.0
72.01579	3.4
72.99194	1.9
73.25211	1.8
79.05433	1.9
81.03323	2.5
83.04890	5.6
84.56335	2.0
85.02825	4.3
87.95247	1.9
89.02299	10.4
90.02664	4.9
93.03342	7.9
95.01245	2.6
99.04402	8.2
101.02300	7.0
101.17492	1.8
105.06982	4.5
106.04108	15.3
106.13696	1.8
107.04932	10.7
108.02077	2.1
111.43671	1.8
113.05984	7.2
114.02689	3.5
119.03392	4.5
119.04912	5.7
121.02831	13.9
122.03539	2.5
133.06464	10.4
134.03621	7.3
136.74176	1.8
138.03107	5.1
138.05527	4.2
142.23868	2.0
143.04906	18.3
145.06483	10.9
147.04404	3.5
147.08047	3.6
149.02309	2.3
157.06517	16.1
158.03574	1.8
159.03101	4.2
159.04390	4.8
159.08044	16.9
160.03993	2.4
160.05209	4.8
161.05968	8.6
165.09123	5.3
166.02654	6.2
171.07993	2.3
173.05983	4.2
173.09616	6.0
177.04300	3.3
179.05388	3.3
180.05882	2.3
181.06567	1.9
183.08066	9.3
191.02084	2.6
195.08072	3.5
196.03670	3.0
197.06041	4.1
197.09644	8.1
198.05487	16.9
198.06892	1.9
199.07602	2.4
209.03160	3.3
209.06035	3.9
211.07722	2.0
211.11263	13.3
212.07051	3.7
216.04703	3.0
216.06557	15.6
221.09665	3.2
223.07605	9.7
224.08440	3.9
228.11469	6.8
230.08145	15.6
231.08250	2.0
237.09207	6.9
239.10738	100.0
240.11052	7.0
241.12321	5.4
266.11887	13.6
268.13358	2.1
270.01385	2.0
271.13483	11.0
272.10593	2.3
280.13364	3.0
281.08185	7.5
283.09787	15.7
285.04019	3.7
286.12308	4.1
298.14429	6.9
310.10831	19.0
313.03543	9.6
315.12347	34.0
324.12311	6.5
328.05557	2.2
342.13620	42.1
343.08267	11.4
343.25021	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	341.2693
Annotation	Eicosanedioic acid
Peak:m/z	Relative Intensity
57.03321	36.6
58.03652	0.6
59.01241	2.1
69.03313	1.8
69.29595	3.5
71.01243	1.3
78.91225	0.3
85.06460	23.4
86.06786	0.6
89.02311	2.0
97.06464	2.0
98.19816	0.5
101.02339	0.9
101.09586	1.1
113.02312	0.6
119.03394	0.7
125.09608	1.1
127.07527	0.5
143.03409	0.4
143.10674	14.5
144.10963	0.7
155.10480	0.3
156.00543	0.3
171.10121	0.4
179.05499	0.7
191.75536	0.4
193.12297	1.8
195.17468	27.0
196.17760	1.6
207.17548	0.5
223.20657	2.8
225.14920	1.8
232.28493	0.4
239.16351	0.4
243.15982	0.9
263.23773	2.1
281.24835	12.8
282.25156	1.1
297.27960	19.3
298.28244	2.1
324.18723	0.4
341.23407	6.8
341.26929	100.0
342.23480	0.8
342.27261	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	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88362	0.5
59.01004	0.5
59.01253	6.3
63.29536	0.5
63.76767	0.6
65.16859	0.5
66.56867	0.6
69.03309	2.3
70.02135	0.5
70.90915	1.4
71.01254	2.9
82.72609	0.6
83.04887	1.8
84.02037	1.1
89.02328	3.2
97.06469	10.8
97.17963	0.6
99.04379	0.6
101.02306	1.4
113.02302	1.0
114.82630	0.6
119.03389	1.3
125.09603	1.7
126.63763	0.6
128.96112	0.5
137.09645	0.9
143.03404	0.7
165.12726	0.7
171.10175	5.9
179.05524	1.1
193.12250	14.1
194.12640	1.0
197.15405	0.6
211.13278	2.7
221.11874	1.6
225.14908	21.0
225.17130	1.1
226.15179	1.5
243.15985	9.9
253.14359	1.4
305.21158	0.8
323.21878	0.7
337.17535	0.7
341.23294	100.0
342.23679	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67754	1.7
59.01249	100.0
67.76299	1.7
69.03316	2.9
70.09269	6.9
71.01246	40.4
72.99184	2.6
73.02817	70.3
75.00745	3.5
83.01253	18.2
85.02818	6.1
89.02320	12.0
101.02316	49.7
113.02324	12.1
119.03359	3.4
119.04897	17.8
121.02827	25.8
123.03153	5.2
131.03375	6.4
135.04315	2.0
137.05980	2.2
138.05493	56.8
143.03429	2.1
149.02322	7.2
149.04457	2.8
161.04463	6.5
161.05980	1.9
164.04689	4.7
177.03995	2.8
180.06668	2.7
189.05437	6.2
223.06050	7.7
253.08597	2.3
300.10855	3.1
341.12393	4.9
342.11899	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	341.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78166	0.6
55.01752	2.1
57.03323	4.1
58.00465	1.6
59.01249	100.0
60.01588	0.8
69.03304	1.0
71.01251	54.3
71.20596	0.8
72.01572	1.3
72.99178	3.3
73.02817	30.3
74.03149	1.0
75.00746	7.3
83.01256	9.7
84.02038	0.6
85.02821	22.5
86.28794	0.6
87.00749	3.3
89.02315	21.5
93.03332	0.9
95.01257	3.7
97.02838	1.2
99.00748	3.5
101.02317	28.1
111.00759	3.2
113.01532	1.3
113.02325	23.0
119.03465	8.6
119.04908	43.3
120.05263	1.5
121.02829	3.8
125.02318	1.6
129.01833	6.8
131.03427	2.1
137.02368	1.0
137.05937	3.0
138.05461	0.9
143.03410	2.5
145.02866	1.1
149.04417	1.1
151.00291	0.7
155.03404	0.7
159.02905	1.1
161.04485	4.8
161.05782	0.9
163.03883	5.1
167.10690	0.8
177.03951	7.4
177.09160	1.5
179.05588	4.1
193.12225	3.3
195.05028	11.4
205.03474	2.8
211.13420	1.1
223.04523	9.0
281.10281	12.5
299.11282	5.1
341.08939	3.3
341.11780	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.6
58.25069	0.5
59.01233	1.7
62.62971	0.5
69.03316	2.1
71.01247	1.3
71.29186	1.2
83.04897	1.8
84.02038	7.5
89.02321	0.8
90.68362	0.5
91.22160	0.5
97.02825	1.7
97.06466	10.1
99.04375	1.8
119.03352	0.5
119.08543	1.0
125.09618	0.8
127.11181	0.7
135.07983	0.5
137.09628	1.1
149.13266	0.5
152.31049	0.4
165.12747	1.0
171.10175	20.2
172.10480	1.3
175.11064	0.6
179.05431	0.6
193.12257	13.4
194.12556	0.6
197.15401	0.6
211.13379	2.5
221.11748	0.9
225.14886	18.4
226.15263	1.0
243.15982	8.3
244.16364	0.6
253.14244	1.0
262.76068	0.6
262.87109	0.5
273.18411	0.8
291.19614	2.3
305.21213	1.0
323.22314	0.5
341.23285	100.0
342.23608	12.7
342.27551	0.9
352.51495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1085
Annotation	Trehalose
Peak:m/z	Relative Intensity
55.01760	1.6
57.03313	1.6
58.00473	4.7
59.01246	100.0
59.38570	0.7
60.01580	0.8
69.58987	1.6
69.59402	3.8
71.01248	78.3
72.01577	1.0
72.99174	4.0
73.02808	1.6
78.85213	0.8
83.01239	1.2
85.02818	8.4
87.00750	5.1
89.02312	89.8
90.02655	2.3
95.01271	3.4
99.00748	1.1
101.02319	34.9
113.02324	27.0
113.02933	0.8
116.82990	0.8
119.03382	37.2
120.03722	1.1
125.02303	1.1
131.03381	5.8
143.03392	9.9
149.04462	3.8
161.04460	12.6
163.03871	1.1
176.25610	0.8
179.05519	40.9
180.05885	1.6
251.89732	0.9
251.93159	0.8
285.25519	0.8
288.32605	0.9
306.63245	1.0
341.10864	48.3
342.11237	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	341.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29866	1.4
54.92583	1.3
55.01761	2.7
57.03315	8.4
59.01249	100.0
60.01585	2.9
69.20263	2.3
69.20667	14.5
71.01249	59.9
72.99155	2.8
73.02813	27.5
75.00755	11.2
83.01243	11.2
85.02819	28.5
87.00758	6.7
89.02315	26.4
95.01260	4.5
99.00756	4.9
101.02319	30.9
107.94666	1.4
109.06435	1.7
111.00757	4.7
112.88074	1.3
113.02315	23.8
119.03500	9.6
119.04909	43.1
120.05246	2.1
121.02827	11.5
129.01865	9.6
131.03339	2.2
135.04393	2.2
135.08022	2.8
137.05920	1.9
143.03368	2.6
145.02945	1.8
151.00230	1.8
153.09035	2.1
161.04439	5.5
163.03896	10.9
167.10631	1.9
177.03961	12.3
177.09085	3.9
179.05530	5.0
181.73050	1.5
193.12224	13.3
195.05023	22.0
202.20808	1.4
205.03441	5.7
211.13321	3.4
223.04471	10.8
235.13203	1.7
267.79807	1.5
281.10306	15.0
299.11301	4.0
341.08725	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	341.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54052	1.2
55.91734	1.0
57.03328	1.0
59.01245	41.7
62.88469	1.0
67.99547	1.1
69.03333	2.1
69.55691	7.7
71.01257	13.1
72.99177	2.9
73.02812	1.4
75.00748	10.6
75.48828	0.9
83.01222	1.2
85.02831	4.5
87.00753	3.8
89.02330	8.1
91.51810	1.1
93.03323	2.2
97.02834	1.4
98.19781	1.4
99.00739	1.3
101.02304	5.1
107.04918	1.4
111.00735	1.0
113.02313	4.4
119.03444	2.7
121.02837	100.0
122.03162	1.8
129.01836	2.6
131.04898	1.7
133.02898	1.6
133.06477	2.6
135.02864	6.1
135.04416	3.5
137.02306	1.3
141.01828	1.4
143.03461	1.4
147.04517	1.2
149.02335	4.5
159.02884	3.9
159.04306	1.0
161.05975	4.6
163.04002	1.4
164.04663	2.9
177.03963	16.4
179.03322	1.2
179.05502	4.2
189.05492	18.2
219.05072	12.8
223.06076	3.9
230.17722	1.3
248.68839	1.0
253.08595	2.5
281.06845	2.0
299.07666	4.3
301.03180	1.2
313.08997	1.1
341.08304	5.5
341.19781	1.1
364.11774	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.4
59.01247	55.7
67.83347	0.7
69.03351	0.8
71.01247	11.9
72.64067	0.7
72.99174	1.5
73.02813	3.7
74.20744	0.7
75.00735	4.8
78.44939	0.8
83.01250	1.6
85.02821	5.0
87.00746	2.7
89.02321	7.0
93.03344	0.9
97.02823	1.3
98.19774	2.2
99.00705	0.9
101.02332	4.5
111.00784	1.0
112.45013	0.9
113.02317	4.2
119.03397	1.8
119.04886	2.6
121.02835	100.0
122.03165	2.7
127.03933	1.1
129.01837	1.2
131.03307	0.7
131.04906	1.8
133.02884	1.1
133.06473	6.9
134.03632	2.5
135.04404	7.6
137.02383	0.8
141.01724	0.8
146.25183	0.8
159.02930	2.6
159.04390	1.4
161.05989	9.6
162.06236	1.1
165.03893	1.3
165.90262	0.7
177.03975	9.9
179.05528	2.0
189.05486	32.9
190.05905	1.0
193.04951	2.7
219.05080	3.4
268.03888	1.0
281.06580	1.7
298.13559	0.8
299.07715	5.9
341.10657	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	341.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71469	0.7
58.98918	0.6
59.01245	20.1
59.12619	0.6
66.69607	0.6
71.01248	10.9
71.01611	0.7
72.99205	1.7
73.02840	1.6
75.00743	29.0
85.02834	2.9
87.00755	1.5
89.02305	7.9
91.05413	0.8
93.03308	3.2
95.01287	0.8
96.39749	0.8
99.00752	0.7
101.02309	4.0
108.02026	1.0
109.02811	1.4
113.02370	2.7
117.01861	1.3
117.03354	2.5
119.03405	1.8
119.04891	3.4
121.02839	73.8
122.03169	2.0
129.01807	0.7
132.02086	2.5
133.02861	1.0
135.02884	11.3
135.04407	9.4
137.02362	1.3
138.05472	0.8
142.12447	0.6
143.03401	0.7
143.04959	1.1
145.02859	1.7
146.03604	3.1
147.04413	14.4
148.04713	0.8
149.02336	100.0
150.02710	4.4
154.94498	0.6
159.02969	1.1
159.04407	1.3
161.02356	0.9
161.04552	0.7
161.05963	0.9
163.03914	2.0
164.04692	62.5
165.05026	2.6
177.03943	2.6
179.03366	1.7
179.05498	2.1
179.07054	4.1
189.05534	3.0
190.02556	1.2
191.03394	1.1
219.05048	4.1
223.06067	96.5
224.06369	5.8
238.06310	0.9
251.07101	1.3
253.08667	8.4
254.08855	0.9
292.28793	0.9
341.08582	24.9
342.08963	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	341.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38717	0.9
57.03305	0.9
59.01250	22.9
69.47150	3.3
69.47581	3.2
71.01251	11.7
72.99172	1.6
73.02802	1.8
75.00742	36.9
78.32663	0.8
81.19423	0.9
83.01243	0.8
85.02827	2.7
87.00743	2.5
89.02316	6.9
93.03327	2.9
97.02853	0.9
99.00745	1.2
101.02306	5.3
108.02058	1.7
109.02856	2.5
113.02309	3.4
117.01830	1.7
117.03307	2.7
119.03412	1.5
119.04886	3.4
121.02839	100.0
122.03154	3.0
129.01866	1.0
131.03416	0.9
132.02051	1.5
133.02803	2.3
133.06500	1.1
135.02885	9.8
135.04393	10.2
137.02374	1.1
138.05524	1.6
145.02817	2.6
146.03592	3.6
147.04424	16.8
149.02342	74.0
150.02657	3.6
154.60698	0.8
159.04382	2.3
161.06035	1.4
163.03923	2.4
164.04698	51.9
165.05013	3.7
177.04010	4.5
179.03304	1.0
179.05518	2.2
179.07004	2.4
189.05521	5.0
190.02591	1.5
191.03419	2.1
219.05011	7.0
223.06062	81.0
224.06369	4.1
235.07317	0.9
238.06277	1.4
251.07040	1.7
252.07704	1.0
253.08696	9.9
254.08992	1.3
270.03134	0.8
299.07797	1.0
341.08688	34.2
342.08914	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74366	1.3
55.01754	1.6
57.03330	7.3
57.94266	1.5
58.00473	1.8
59.01250	84.5
69.03316	2.5
71.01253	37.6
71.52298	2.8
72.99177	5.6
73.02818	7.6
74.35426	1.2
75.00739	10.5
83.01254	8.9
85.02821	46.4
87.00763	3.1
89.02318	25.6
90.54523	1.2
95.01256	3.1
97.02831	3.4
99.00777	3.1
101.02322	21.1
107.04901	2.9
111.00765	16.1
113.02315	15.5
114.05406	1.4
119.03385	10.4
119.04868	6.8
121.02841	100.0
122.03158	2.6
123.00803	1.3
123.85078	1.4
125.02327	5.7
129.01813	20.8
131.03383	2.3
134.03650	10.2
135.04401	3.4
137.02321	2.2
137.05974	8.2
138.05502	5.8
141.01881	1.7
143.03345	4.1
147.02899	3.5
149.04539	1.7
149.05872	1.5
159.02917	3.5
161.04427	5.7
161.05850	1.9
165.04018	9.1
177.03906	3.1
179.05585	7.6
189.05481	6.5
193.05006	8.9
201.03815	2.0
201.38190	1.5
205.03442	13.4
219.05099	7.6
223.04520	34.8
224.04810	2.2
297.11276	1.5
299.11307	4.0
341.08441	4.8
341.11874	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	340.1187
Annotation	Eletefine
Peak:m/z	Relative Intensity
55.04112	0.4
57.29182	0.4
58.00470	0.4
59.00958	0.7
59.01249	13.0
71.01250	10.2
72.99174	0.4
73.02827	0.5
80.33270	0.4
81.16280	0.4
83.01234	0.5
87.00748	0.6
89.02314	12.8
95.01270	0.5
98.19804	1.3
101.02309	5.2
113.02339	3.9
119.03392	4.0
131.03409	0.6
132.33429	0.5
143.03378	1.4
143.22311	0.4
161.04449	1.5
171.10165	0.5
179.05528	4.7
198.05521	3.5
199.06236	1.2
212.03401	3.8
216.60538	0.4
226.05022	8.5
227.05673	1.5
240.02913	0.7
253.16283	5.1
254.04547	100.0
255.05304	77.0
256.05667	5.0
259.04837	0.7
266.04529	5.6
267.05200	0.9
270.04623	0.5
270.07678	2.5
278.08188	0.7
292.06223	0.9
306.07663	1.2
307.08469	3.4
310.07162	0.5
322.10852	2.4
325.09491	3.5
326.09827	0.5
340.11862	57.2
341.11496	7.2
341.17532	2.0
341.23401	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31199	0.4
57.04016	0.4
58.00461	0.5
59.01249	6.7
62.72606	0.3
69.03304	0.5
69.23133	4.4
71.01256	4.7
80.69514	0.4
84.02035	1.7
84.61424	0.5
85.33714	0.4
87.00723	0.5
89.02317	4.9
97.06449	1.4
98.20590	0.8
99.04347	0.5
101.02293	1.9
113.02329	2.1
116.90196	0.4
119.03437	2.2
131.03336	0.6
143.03345	0.5
143.10689	0.6
146.75911	0.4
161.04442	0.6
164.90239	0.4
166.86967	0.4
171.10165	4.9
179.05507	2.3
183.13741	0.5
193.12260	0.9
193.20035	0.5
225.14919	1.4
226.05061	2.4
228.03027	0.7
238.04993	2.2
240.02914	1.3
242.04553	1.2
243.16061	0.6
254.04483	3.3
255.05316	7.0
256.02454	1.0
257.03299	5.6
269.03305	0.7
270.04059	18.9
271.04492	1.8
281.03241	2.2
282.04062	100.0
283.04382	7.7
296.05731	0.6
310.07224	2.5
324.08603	0.9
325.09531	23.4
326.09756	2.6
340.11874	56.6
341.12064	7.0
341.23297	14.6
341.26938	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	340.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.2
59.01247	23.4
61.98708	0.6
62.68836	0.5
68.99673	0.6
71.01248	17.6
71.04861	0.8
71.52647	0.6
72.99168	1.4
73.02773	1.2
81.48862	0.5
83.18705	0.7
85.02817	2.3
87.00760	0.9
89.02314	20.2
90.04418	0.5
95.01254	0.8
97.06461	0.8
101.02308	7.0
103.12598	0.6
113.02328	7.3
119.03397	6.2
121.02779	0.6
127.11176	0.7
131.03375	1.4
137.02281	0.8
143.03381	2.0
152.43153	0.6
161.04434	2.9
171.10170	1.8
172.10474	1.1
178.13155	0.7
179.05540	8.5
184.03955	1.7
212.03369	0.7
225.15018	0.6
228.02968	12.3
244.07347	1.3
247.31036	0.6
248.13670	1.7
253.16187	0.9
254.04573	5.9
254.16580	1.0
255.05150	0.8
256.02481	100.0
257.02792	7.3
259.09717	2.3
266.14758	1.2
270.04062	0.9
271.04840	50.0
272.05127	2.7
282.04062	2.6
284.05542	0.8
296.05719	1.2
296.26733	0.8
310.03488	1.6
322.20828	0.9
325.05807	2.9
325.09509	1.9
340.08240	3.3
340.11923	5.0
340.16580	1.8
340.25534	0.9
341.10953	9.3
341.17615	1.2
341.23285	3.9
341.26953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02499	1.5
57.03324	1.9
58.00455	1.2
59.01248	100.0
60.01577	2.1
71.01250	21.7
71.51370	2.5
73.02814	15.2
83.01266	3.2
85.02821	6.7
86.55582	1.4
87.00748	3.7
87.04381	2.0
89.02319	12.1
99.00746	2.9
101.02322	17.9
113.02296	9.4
119.03387	3.5
135.04385	3.4
135.06537	13.3
143.03354	1.9
159.02808	1.5
161.04446	5.6
179.07016	1.6
207.08574	1.8
211.92165	1.6
237.09798	3.1
279.11002	10.4
282.66040	1.4
297.11923	21.0
298.12299	1.7
339.07681	5.7
339.12939	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	339.1598
Annotation	16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
Peak:m/z	Relative Intensity
50.11767	0.8
59.01242	6.4
70.86082	1.6
70.86413	1.0
71.01270	0.9
79.87320	0.7
83.01313	0.8
84.52590	0.8
90.77457	0.7
108.88676	0.8
119.04930	1.5
134.03635	1.5
149.02350	3.1
149.06001	3.8
161.02354	2.0
163.11194	1.8
181.46518	0.8
182.86366	0.8
183.01180	3.1
185.98282	0.8
193.07170	0.8
197.02692	5.0
225.09151	75.8
226.09494	6.1
237.09146	18.9
237.11363	1.3
238.09596	1.6
239.10828	1.7
279.10800	0.9
279.14056	1.0
282.71530	0.8
295.17026	61.8
296.17346	5.4
301.12482	0.8
338.82620	0.7
339.16055	100.0
339.20007	16.5
339.24771	1.9
340.16367	9.7
340.20224	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	339.2324
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
57.68587	0.3
98.19775	0.9
122.45611	0.3
163.11186	100.0
164.11514	5.4
320.41830	0.4
322.33829	0.4
339.23254	61.5
340.23605	8.0
354.00076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1294
Annotation	Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside
Peak:m/z	Relative Intensity
50.00053	3.3
53.66114	2.6
54.10776	3.1
55.01771	4.8
57.03324	6.0
59.00954	5.7
59.01247	98.9
63.06705	3.5
69.84748	11.8
69.85158	6.8
71.01252	52.6
72.99192	6.0
73.02814	26.3
73.14513	3.0
80.27796	3.1
81.03301	4.4
83.01251	17.7
83.41312	3.1
85.02838	25.8
87.00750	6.4
88.09730	3.2
89.02311	20.3
95.01234	3.7
97.02792	3.9
98.20514	4.0
99.00736	5.2
101.02315	70.0
113.02335	18.7
119.03377	11.2
135.06546	23.1
159.02896	5.3
161.04485	12.5
179.05603	3.6
193.07094	100.0
230.24925	3.8
279.10828	10.3
283.94870	3.3
297.11902	19.9
339.12982	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	339.1236
Annotation	Glepidotin B
Peak:m/z	Relative Intensity
51.73480	0.4
59.01242	1.0
63.02274	2.4
65.00191	11.2
67.01778	0.4
68.99699	0.8
69.21152	2.0
69.21583	2.1
74.82315	0.4
74.87511	0.4
83.01271	0.6
93.03327	7.9
94.03680	0.6
105.06969	0.6
107.08566	0.6
108.02074	1.1
109.02863	0.6
109.06474	5.4
117.03300	0.6
119.04912	83.7
120.05238	3.3
121.02879	0.8
129.07008	0.8
131.08565	2.3
131.47539	0.4
132.02054	0.6
133.02814	1.2
133.06485	25.5
134.06825	1.4
136.01543	1.4
137.02333	1.3
143.04926	0.7
145.02864	1.7
147.08080	1.4
148.01572	1.1
149.05988	1.5
149.99466	0.6
151.07553	9.5
152.07907	0.7
159.04440	0.5
161.02357	0.5
163.00261	0.5
164.01065	0.7
175.07558	8.8
176.01047	10.6
176.07892	0.6
177.01831	1.6
187.03943	1.7
189.09090	0.4
190.02742	0.5
191.07083	2.4
193.08636	1.3
219.06564	55.0
220.06873	2.9
222.01584	0.7
233.08098	3.9
237.07713	0.8
245.08147	3.6
266.04623	2.1
331.32510	0.6
339.12341	100.0
340.08536	0.5
340.12643	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	338.1396
Annotation	Glycocitrine-I
Peak:m/z	Relative Intensity
53.05574	0.2
59.01253	0.6
70.81646	0.5
89.99095	0.2
98.83095	0.2
108.71626	0.2
134.41545	0.2
151.77744	0.2
173.05933	0.2
222.09195	0.6
223.06258	0.3
224.07072	0.5
226.05046	0.3
239.05820	0.4
241.03764	1.0
247.06255	0.4
248.07072	0.3
250.05017	2.0
252.06592	0.4
253.03867	1.1
254.04541	10.1
254.07243	0.5
255.05034	1.0
262.08698	3.0
264.07065	0.4
264.10254	3.3
265.03778	6.5
265.06857	0.2
265.10583	0.2
266.04388	1.7
266.08185	3.7
267.05252	0.7
267.08673	0.4
268.06100	0.8
271.04837	0.3
276.06650	0.3
278.04587	2.2
278.08188	1.3
279.05353	0.9
280.06091	1.9
280.08838	0.3
290.08206	6.1
290.11331	0.4
291.08524	0.6
292.06155	9.0
292.09778	4.1
293.06897	5.1
293.10037	0.5
294.07474	0.5
306.07791	0.5
308.09253	100.0
309.09586	9.8
322.10870	0.9
323.11588	25.3
324.11957	2.4
325.09100	0.3
338.13940	45.4
339.14249	5.6
355.10565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1231
Annotation	Moracin T
Peak:m/z	Relative Intensity
59.01226	0.6
63.02263	3.3
65.00193	8.9
68.99683	0.8
70.03656	1.4
70.04031	0.8
78.00967	0.4
80.45293	0.4
83.01247	0.8
93.03330	8.3
99.05770	0.4
105.06988	0.9
107.04906	1.3
107.08494	0.5
109.06462	4.8
117.03345	0.7
119.04908	81.9
120.05244	3.1
121.02831	0.5
129.06960	0.6
131.08549	2.3
132.02039	0.6
133.02885	0.7
133.06479	24.6
134.06796	1.2
135.00760	0.5
136.01541	1.9
137.02359	1.2
143.04906	0.6
145.02855	1.6
147.08025	1.1
148.01566	1.1
149.05963	1.1
149.09657	0.5
151.07533	9.2
157.06525	0.5
159.04425	0.6
161.02396	0.5
162.03156	0.5
163.00241	1.0
163.07578	0.4
164.01060	0.8
173.06104	0.4
175.07567	10.1
176.01060	8.9
177.01770	1.6
177.05446	0.4
187.03961	1.0
189.49431	0.4
190.02608	0.7
191.07034	2.9
193.08669	1.0
219.06563	57.1
220.06876	3.9
222.01532	0.5
227.07080	0.4
233.08157	4.8
237.07634	0.9
245.08131	4.6
248.17781	0.4
282.04260	0.7
292.85129	0.4
295.13297	0.7
324.08438	0.5
339.12344	100.0
340.12653	11.1
340.16577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1031
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
59.81580	0.4
61.48910	0.3
69.39543	1.3
69.39967	1.4
74.32805	0.3
96.35494	0.3
98.20533	0.7
120.39178	0.4
151.00340	0.5
167.31564	0.3
188.81992	0.3
228.43665	0.3
238.04945	0.6
240.02922	1.3
252.03021	1.0
264.06812	0.4
266.04407	0.3
266.08206	1.1
268.02521	2.1
269.03290	1.6
270.04254	0.4
276.06686	0.4
279.05389	1.2
280.02505	10.8
280.06131	1.4
281.03284	2.2
281.06131	0.4
282.04047	18.5
283.04456	1.3
294.04074	2.7
294.07715	5.2
295.04797	0.6
295.08392	1.2
305.06833	0.4
306.07739	3.6
307.04883	0.4
308.05612	43.0
309.05875	3.6
321.06274	0.4
322.07169	33.3
323.07932	57.8
324.08231	4.6
338.10309	100.0
339.10660	8.5
347.07855	0.4
355.06857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1035
Annotation	Cerasodine
Peak:m/z	Relative Intensity
56.15034	0.3
57.03322	0.4
59.01249	1.7
68.33199	0.3
71.01260	0.6
71.04884	0.3
71.52713	0.3
83.04916	0.5
85.02802	0.3
102.37362	0.3
110.27341	0.2
111.04470	0.4
167.10655	0.4
171.10190	1.5
188.69792	0.3
197.04439	0.3
222.05560	0.6
237.04187	0.7
254.04637	0.8
265.03763	3.4
266.04565	15.3
267.04944	1.1
276.06793	0.5
277.07492	1.1
278.07971	0.3
280.06100	0.3
288.06534	0.5
289.03909	0.3
290.04526	0.8
304.06427	0.4
305.06918	30.0
306.07413	4.4
308.05615	3.9
309.05637	0.3
321.20718	1.5
322.07315	1.1
323.07965	100.0
324.08270	9.0
338.10321	92.7
338.18835	0.9
338.23721	0.6
339.10632	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	338.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.5
57.16303	0.5
59.01244	4.4
61.98692	1.0
71.00449	0.7
71.00793	0.9
71.04887	0.6
105.06877	0.5
119.04916	2.7
120.05260	1.4
131.04852	0.5
197.15530	0.6
210.05408	0.5
218.05391	1.0
240.03032	0.8
252.02911	1.8
253.16315	1.5
254.04512	0.9
266.04550	1.1
266.08096	0.7
268.02487	1.8
269.03244	1.7
279.05276	1.2
280.02502	8.4
280.06079	2.3
281.03122	2.1
282.04053	17.5
283.04471	1.9
294.04044	3.4
294.07715	5.2
295.04645	1.1
295.08105	0.9
295.26184	0.5
306.07697	4.2
307.04779	0.6
308.05618	41.5
309.05975	3.9
322.07162	31.6
323.07928	58.3
324.08340	5.5
338.10327	100.0
339.10602	11.2
339.16223	1.4
339.25342	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	337.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20857	0.8
57.07273	0.7
58.90001	0.7
59.01247	100.0
70.00450	4.2
85.02825	0.9
101.47770	0.7
111.00742	2.6
146.02808	0.8
173.00778	0.9
173.04478	1.7
213.95261	0.7
350.19415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1031
Annotation	Cerasodine
Peak:m/z	Relative Intensity
55.95145	0.7
59.01252	4.4
71.52969	1.1
73.84242	0.8
74.02328	1.8
93.03327	6.2
94.03667	3.2
95.04903	0.8
102.92855	0.9
173.05939	0.9
183.01132	0.9
238.05066	1.8
254.04663	3.8
256.19214	1.9
257.03177	1.0
264.06726	1.4
266.04669	1.2
266.08075	1.6
266.12698	1.1
268.02481	1.2
270.04037	1.2
278.08218	1.7
279.05347	2.4
280.02618	2.4
280.06134	2.9
281.03265	2.0
282.04059	47.9
283.04648	8.4
294.04327	1.3
294.07755	8.1
294.11887	5.1
295.04825	1.0
295.08167	1.3
302.90277	0.9
304.06339	0.9
306.04288	1.6
306.07666	7.7
307.08224	1.1
308.05621	24.6
309.05948	2.1
309.78680	0.9
322.07178	53.2
323.07938	79.0
324.08273	6.9
338.10327	100.0
339.10657	9.4
339.14850	1.1
339.15811	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	10.6
65.00190	9.0
65.03828	0.7
68.99680	0.7
69.22874	1.5
69.23291	4.3
79.05402	1.7
86.43108	0.5
87.90584	0.5
93.03333	7.8
96.95878	0.6
97.06474	0.5
98.19709	0.9
103.05403	2.9
105.06966	3.8
107.04897	11.1
117.03377	1.1
119.04911	100.0
120.05267	4.2
129.06967	4.3
131.04919	12.4
132.05191	0.8
143.04918	2.0
144.05835	0.7
145.02855	2.7
145.06465	0.8
149.02342	1.4
149.05983	20.5
150.06311	0.6
158.03636	0.7
172.05185	1.5
173.05981	22.0
175.03900	6.1
179.56607	0.5
185.05986	1.0
187.03903	2.1
189.05519	1.3
191.07036	1.6
217.04999	73.6
218.05283	3.5
231.06592	6.4
243.06519	2.7
278.47849	0.6
280.02740	0.8
280.06073	0.7
282.04013	1.9
284.63080	0.5
295.09958	0.8
308.05667	2.7
322.07202	2.9
323.07916	3.7
337.10803	99.8
338.10770	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	337.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.5
59.27809	0.3
65.00192	5.4
68.99689	0.5
69.25228	3.0
69.25635	0.5
79.05395	1.0
84.89425	0.4
93.03331	6.7
99.39157	0.4
103.05437	1.9
105.06979	2.1
107.04907	8.7
117.03356	0.5
119.04909	100.0
120.05256	3.8
121.06446	0.4
129.06985	3.0
130.04161	0.4
131.04907	9.6
143.04944	0.7
145.02835	1.3
145.06517	0.5
147.04344	0.5
149.05971	11.8
150.03108	0.4
150.06296	0.5
155.04962	0.4
172.05264	0.6
173.05988	13.9
174.06244	0.8
175.03902	3.9
185.06020	0.8
187.03951	2.6
189.05453	0.7
191.07014	1.1
195.43312	0.4
216.22250	0.3
217.05000	55.6
218.05360	3.5
231.06552	5.3
243.06590	1.6
282.04294	0.4
293.12024	0.4
327.70334	0.4
337.10788	87.3
338.11139	8.9
352.80170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65049	0.3
59.01254	1.9
59.61501	0.3
63.60057	0.3
65.00190	6.7
66.06539	0.4
66.79970	0.3
68.71024	0.3
73.49526	0.4
74.18844	0.3
79.05414	1.8
83.79831	0.3
93.03332	5.4
98.20602	0.6
103.05414	2.1
105.06982	2.6
107.04901	8.1
110.83556	0.3
117.03356	0.6
119.04911	100.0
120.05245	3.8
129.07005	2.5
131.04927	9.4
132.05209	0.3
143.04939	1.0
145.02866	1.2
145.06534	0.7
149.02377	0.7
149.05981	11.0
149.13646	0.3
150.06265	0.4
158.03651	0.6
161.06056	0.5
172.05222	1.0
173.05998	14.8
174.06319	0.5
175.03926	4.1
177.39908	0.3
185.06007	0.5
187.03932	2.8
189.05562	0.9
191.07118	1.1
193.05022	0.4
217.05005	56.8
218.05402	3.1
231.06578	5.8
232.06863	0.5
243.06606	1.5
282.04266	0.5
322.07184	0.7
323.07895	0.7
337.10782	81.6
338.11057	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	337.0928
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
59.01249	4.3
68.72211	0.7
70.18918	0.6
71.01246	1.9
73.02812	0.7
85.02821	9.6
87.00748	3.2
88.05419	0.6
93.03334	6.5
98.19751	1.5
111.04379	1.8
115.08700	0.6
119.04917	2.1
127.03902	2.0
144.94449	0.6
145.02829	0.9
160.40814	0.6
163.03912	2.4
173.04518	2.1
191.05528	100.0
192.05911	2.9
219.99176	0.7
337.09311	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	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03330	1.3
59.01246	3.9
60.99171	0.6
61.03410	0.3
65.03839	0.3
66.81645	0.2
67.01761	5.8
68.02618	0.2
69.03312	1.2
71.01257	3.3
71.21088	0.4
72.99164	0.2
79.17032	0.2
81.03328	1.1
83.04913	1.3
85.02819	1.5
87.00750	0.6
93.03332	32.7
94.03667	1.1
99.04441	0.3
109.02819	1.0
111.00759	2.5
111.04404	5.4
112.04774	0.3
112.85025	0.2
113.02354	0.6
119.04910	16.5
120.05247	0.4
121.91998	0.2
127.03895	0.6
137.02332	4.7
155.03389	4.3
163.03915	17.2
164.04254	0.8
173.04465	100.0
174.04794	3.0
183.47890	0.2
191.01945	0.4
191.05542	3.3
218.05807	0.3
252.38802	0.2
270.44785	0.2
337.09167	2.9
338.09225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	7.6
65.00186	5.5
65.03811	0.7
71.01250	0.9
71.52156	0.5
71.52605	0.6
72.01937	0.5
79.05392	1.6
93.03329	7.7
96.95913	0.6
98.19962	0.5
103.05421	2.1
105.06967	2.6
107.04888	6.4
113.02388	0.6
117.03291	0.6
119.04909	100.0
120.05250	4.3
129.06987	2.3
131.04024	0.9
131.04924	9.7
143.04886	0.9
145.02875	1.2
145.06503	1.1
147.04439	0.6
149.02237	0.6
149.05966	11.5
172.05161	0.9
173.05984	13.7
175.03871	3.3
187.03873	3.5
191.07066	0.9
217.04997	52.5
218.05328	3.2
221.28853	0.6
231.06633	4.4
243.06505	1.0
337.10794	62.1
338.11063	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	337.0773
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
51.85007	0.7
55.53950	0.8
57.03308	1.5
58.78408	0.7
59.01250	10.0
62.18444	0.8
62.60185	0.7
65.88685	0.7
68.99668	4.3
69.03322	1.2
69.48373	6.3
71.01251	12.8
72.99174	4.4
73.02811	2.5
73.96434	0.9
75.00732	3.1
83.01252	3.4
85.02818	8.0
87.00748	11.8
88.95229	0.8
89.02299	6.8
95.01241	1.9
97.02811	1.6
97.06760	0.8
97.68265	0.8
99.00755	8.6
101.02309	4.2
103.00231	1.3
105.01829	1.3
109.02864	0.9
111.00761	5.2
113.02319	8.9
113.99471	12.3
115.00237	8.6
117.01826	2.2
119.03371	1.0
127.00252	9.1
129.01808	5.9
133.01353	0.8
139.00267	3.8
139.01270	0.9
141.01814	3.0
150.24945	0.8
157.01318	16.7
158.01566	0.9
159.02910	0.9
169.01328	1.9
174.01607	17.0
175.02444	5.2
177.04030	1.2
179.05528	1.8
202.08157	0.9
209.39124	0.8
277.02765	1.4
277.05643	17.2
334.62137	1.0
337.07724	100.0
338.08075	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	337.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.2
59.01247	11.2
60.99174	0.7
67.01756	5.2
67.05595	0.3
69.03320	1.1
69.80511	0.6
69.80909	1.1
71.01252	4.0
81.03327	1.1
81.84356	0.2
83.01273	0.3
83.04890	1.2
84.20824	0.3
85.02814	2.4
87.00746	0.7
89.02304	0.3
93.03332	30.5
94.03663	0.9
95.01295	0.3
99.00750	0.4
101.02319	0.5
109.02835	1.0
111.00753	3.3
111.04398	5.6
113.02331	0.7
119.04910	17.2
120.05231	0.4
127.03874	1.0
128.03403	0.8
137.02336	5.0
154.99855	0.6
155.03409	4.7
159.68370	0.3
163.03914	19.7
164.04301	0.9
173.04462	100.0
174.04819	3.2
191.01910	0.7
191.05530	7.6
192.05869	0.3
250.06679	0.6
268.97327	0.3
302.30768	0.3
337.09277	3.1
338.09302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
51.05410	0.6
57.03336	0.5
59.01251	7.9
64.94866	0.5
70.25593	1.5
71.01254	2.1
83.04881	0.6
85.02822	3.8
93.03367	3.0
111.00762	1.0
111.04422	1.8
119.04911	50.9
120.05263	1.8
127.03830	0.6
129.01791	0.6
133.80128	0.5
136.07538	1.0
137.02316	0.9
144.02971	1.0
145.02756	0.6
155.03418	2.1
163.03912	100.0
163.30389	0.5
164.04253	4.2
173.04456	5.5
191.01891	1.1
191.05524	19.7
201.81734	0.6
235.70697	0.6
239.95755	0.6
260.74399	0.7
320.08252	0.6
337.09232	3.4
337.15265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1497
Annotation	Dihydrotetrodecamycin
Peak:m/z	Relative Intensity
56.69215	1.7
59.01240	4.6
67.01752	3.1
69.94669	6.3
69.95074	4.4
78.95699	2.0
83.04880	2.4
91.05396	2.8
107.04877	4.5
107.89260	2.1
117.03323	4.8
119.04903	3.5
121.02837	4.8
123.14769	2.0
131.26250	2.0
133.02870	2.4
133.06516	2.1
135.04414	4.6
136.01590	2.9
145.02762	2.6
147.04413	6.8
148.01540	3.9
149.01427	1.9
149.02364	21.0
159.04373	2.4
161.02313	16.9
161.05960	7.7
163.03900	18.6
164.04329	2.6
168.06377	1.9
171.07996	2.5
173.05980	6.3
174.03064	2.6
175.03842	6.8
175.07475	2.9
177.01848	2.1
179.07112	2.3
187.07567	3.7
189.05492	38.7
191.03409	28.7
191.07042	2.6
192.04160	3.3
201.05397	4.2
207.06543	100.0
208.06863	7.9
213.09116	2.6
215.10643	3.8
219.06589	6.2
233.08105	8.5
233.11632	3.2
239.50195	2.3
250.08307	4.6
259.09601	3.6
261.86761	2.1
277.07660	3.1
277.10818	5.7
292.13104	7.7
335.09274	12.0
335.15015	58.5
335.18616	2.7
336.08890	5.2
336.15225	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	337.0715
Annotation	Crotafuran D
Peak:m/z	Relative Intensity
51.10376	0.4
57.03309	0.4
58.75322	0.4
59.01247	6.3
65.00178	0.8
67.01730	0.5
71.01266	0.5
71.52418	0.5
89.03830	0.4
89.69263	0.3
91.01755	1.1
92.81087	0.4
93.03336	1.0
101.02319	0.5
107.04905	0.8
109.02822	4.8
111.00771	0.4
117.03339	20.7
118.03697	0.7
119.04926	1.0
130.04044	0.5
131.04893	2.4
133.02829	6.3
135.04424	0.6
147.04395	1.4
151.03905	0.9
157.02911	0.6
159.04398	1.0
160.01518	0.4
161.02357	0.9
164.92020	0.3
175.00325	0.7
175.03909	20.2
176.01010	0.5
176.04257	1.0
177.01842	5.8
178.42805	0.4
183.04376	0.6
185.02254	1.0
185.06125	0.4
189.05504	0.6
191.05438	0.4
199.03906	2.0
201.01883	1.5
201.41751	0.3
209.05931	0.6
217.05000	3.3
219.02907	2.5
222.06755	0.5
223.03680	0.4
227.03445	0.6
227.07152	0.4
235.09685	0.5
238.03075	0.4
243.02956	0.7
249.05440	0.8
250.06171	0.4
251.03464	0.4
251.07121	2.8
253.05121	0.5
293.04559	14.7
293.08121	1.0
294.05237	7.1
295.06079	26.2
296.06393	2.2
319.06149	1.2
337.07147	100.0
338.07401	10.2
338.10974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97869	1.2
59.01237	1.4
63.24752	1.2
69.97278	2.8
69.97673	1.9
72.05589	1.1
86.79025	1.3
90.77707	1.2
102.68653	1.1
103.40182	1.1
108.02022	3.3
112.88918	1.5
117.03350	6.5
121.51952	1.2
133.06468	2.5
135.04349	1.5
136.01540	2.2
137.02319	2.8
149.02403	7.5
149.05998	1.5
150.03108	2.0
150.70020	1.2
161.02295	1.6
161.05977	1.9
162.03043	1.8
162.06795	1.2
163.03908	4.5
164.01054	13.2
165.01688	1.1
165.05370	1.2
179.03354	2.3
179.07034	2.8
189.05498	6.7
190.02629	2.3
190.06110	1.6
190.12650	1.4
190.45683	1.3
191.03329	3.0
191.07031	4.0
205.04938	1.8
205.08563	3.8
206.05792	2.9
207.06549	100.0
208.06932	4.5
215.07112	2.4
217.01312	1.7
220.07347	6.5
221.08110	6.8
222.08746	1.9
231.10146	1.9
233.08138	9.7
233.11755	1.6
250.08408	11.2
259.09628	4.5
259.84607	1.3
277.10776	3.2
291.12259	2.2
292.13138	15.0
319.06110	3.5
335.05505	4.4
335.09189	25.2
335.14938	41.0
336.09344	3.9
336.15436	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	335.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22659	0.2
56.37531	0.2
61.45118	0.2
65.00189	1.3
79.05404	0.3
86.18677	0.2
93.03323	0.4
103.05384	0.3
104.77953	0.2
105.06967	0.4
107.04890	1.4
117.03338	19.2
118.03675	0.7
119.04919	0.2
129.07002	0.9
131.04919	1.7
133.02814	0.4
143.04770	0.2
145.06483	0.4
146.41827	0.2
147.04355	0.3
149.05962	2.2
155.04906	0.4
157.06482	0.2
158.03610	0.3
159.04404	0.7
160.01482	0.3
167.04796	0.2
169.06560	0.2
171.04466	0.2
171.08060	0.7
172.05190	0.5
173.05974	4.7
174.06332	0.3
175.03902	0.9
183.04359	0.4
185.02351	0.7
187.07567	1.0
189.05505	0.2
197.05965	0.9
199.03958	0.9
211.04001	0.4
215.07071	4.7
216.07405	0.3
217.04994	4.5
218.05321	0.3
221.09705	0.2
225.09122	0.2
227.03456	0.4
231.07919	0.2
249.09149	0.2
257.79001	0.2
267.10245	0.5
275.07150	0.7
277.05063	0.6
291.03653	0.2
291.06656	0.8
291.10226	0.6
293.08057	0.3
303.06558	0.3
305.04559	2.5
306.04926	0.3
317.08063	1.9
318.08563	0.3
319.06073	6.2
320.06796	4.1
321.07083	0.6
335.09210	100.0
336.09570	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	335.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.3
65.00199	2.2
66.71881	0.2
69.84881	0.5
69.85293	0.9
79.05411	0.7
93.03336	0.7
102.58426	0.2
103.05375	0.6
105.06981	0.8
107.04917	2.0
117.03340	24.6
118.03696	1.0
129.06964	1.5
130.04144	0.3
131.04907	3.4
133.02849	0.7
133.68250	0.2
135.04462	0.3
141.47606	0.3
145.06497	0.8
147.04466	0.3
149.05968	3.3
150.70354	0.3
150.80107	0.3
155.04944	0.5
159.04408	0.9
161.02350	0.4
163.00253	0.7
169.06496	0.4
171.08064	0.6
172.05225	1.0
173.05995	6.4
174.03169	0.3
175.03958	0.8
176.01044	0.3
183.04410	0.5
185.02341	1.1
185.05997	0.3
187.00099	0.3
187.07607	1.3
188.07892	0.3
189.05612	0.3
190.99817	1.3
197.06021	1.1
199.03944	1.3
201.01849	0.4
211.03888	1.0
215.07063	6.1
216.07414	0.5
217.05003	5.8
218.02208	1.5
222.39197	0.2
225.09241	0.2
227.03468	0.6
233.04601	0.4
249.09207	0.4
263.10928	0.3
266.36987	0.2
267.10291	0.4
273.09177	0.3
275.07190	0.5
277.05112	0.8
291.06769	0.6
291.10202	0.5
292.07547	0.3
292.10846	0.3
293.08212	0.6
303.06747	0.3
305.04590	4.0
306.04794	0.3
307.10147	0.3
317.08014	2.3
319.06067	7.6
320.06818	5.0
335.09229	100.0
336.05435	0.5
336.09549	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	335.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00196	1.3
65.11993	0.1
69.59925	0.1
71.12837	0.2
71.13166	0.1
75.98772	0.1
79.05394	0.5
83.71272	0.1
93.03333	0.4
103.05409	0.5
105.06973	0.4
107.04891	1.5
117.03339	18.8
118.03695	0.5
119.04870	0.2
129.06999	1.0
131.04912	2.7
132.05206	0.2
133.02818	0.5
145.06506	0.4
147.04385	0.2
147.81662	0.1
149.05981	2.6
155.04860	0.5
159.04437	0.9
160.01572	0.2
161.02362	0.2
169.06506	0.2
171.08058	0.5
172.05208	0.6
173.05983	4.7
174.03137	0.2
175.03909	0.7
183.04411	0.5
185.02336	0.7
187.07550	0.9
197.06052	0.8
199.03983	0.9
201.01830	0.2
211.03903	0.5
215.04964	0.3
215.07071	5.1
216.07423	0.3
217.04994	4.3
221.09837	0.2
225.09192	0.2
227.03413	0.4
234.06641	0.1
235.03937	0.2
243.31361	0.1
245.09366	0.2
246.10132	0.2
247.07538	0.2
248.08376	0.2
249.09135	0.4
251.07018	0.2
253.01408	0.2
263.10797	0.2
267.10211	0.3
275.07230	0.7
277.04993	0.5
291.06595	0.6
291.10248	0.8
292.03873	0.2
292.07208	0.3
293.08151	0.4
303.06470	0.3
305.04535	2.6
306.05054	0.3
307.09763	0.4
317.08127	2.0
319.06061	5.6
320.06796	4.3
321.07275	0.4
335.09219	100.0
336.09552	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	335.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.1
65.00191	2.2
67.28406	0.1
69.53142	1.1
70.61732	0.1
79.05389	0.6
82.07970	0.1
87.87043	0.1
93.03347	0.4
103.05378	0.7
105.06972	0.6
107.04903	2.0
117.03339	25.9
118.03704	0.9
119.04878	0.4
129.06992	1.4
130.04112	0.5
131.04918	3.4
133.02823	0.6
145.06557	0.7
147.04373	0.2
149.05975	3.1
155.04900	0.6
157.06470	0.2
158.03629	0.5
158.67447	0.1
159.04419	1.2
160.01505	0.2
167.05031	0.2
169.06471	0.2
171.04425	0.3
171.08090	0.7
172.05183	0.9
173.05988	5.9
174.03111	0.3
174.06236	0.2
175.03941	0.9
182.03543	0.2
183.04428	0.5
185.02361	1.3
185.05940	0.3
187.07573	1.3
189.05432	0.2
197.05997	1.2
199.03958	1.3
200.04547	0.2
201.01883	0.4
201.05481	0.2
211.03931	0.6
212.04625	0.2
215.07066	6.4
216.07405	0.4
217.05003	5.6
218.05380	0.4
221.09671	0.2
227.03448	0.3
231.07974	0.3
245.09546	0.2
247.07587	0.4
247.11288	0.3
249.09084	0.3
257.31888	0.1
261.09048	0.2
267.10236	0.4
268.03659	0.2
273.08969	0.3
275.07080	0.7
277.05109	0.8
280.03629	0.2
289.08646	0.2
290.09390	0.2
291.06628	0.9
291.10223	0.9
292.07330	0.4
293.04636	0.1
293.08176	0.5
303.06573	0.5
305.04538	3.6
306.04965	0.3
307.09625	0.3
314.03296	0.2
317.08139	2.5
318.08417	0.3
319.06064	7.8
320.06787	4.4
321.07242	0.3
329.95914	0.2
335.09213	100.0
336.09561	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99471	15.0
59.01248	4.6
71.01268	1.0
71.52444	0.7
74.63658	0.4
74.98962	1.8
76.77064	0.4
77.99446	0.4
83.04877	0.4
96.95924	0.4
102.98471	100.0
103.03898	0.4
103.98811	1.1
106.06496	1.3
107.04906	1.3
108.05215	0.7
119.04865	0.5
120.99530	7.8
127.59705	0.4
130.15179	0.5
133.04230	0.5
138.05502	0.5
139.11183	2.8
150.05492	0.7
158.09702	0.5
163.00587	4.5
163.04138	0.4
202.08662	0.7
203.11014	0.7
228.10294	1.0
245.09261	0.7
246.11479	0.5
318.10883	0.5
333.10553	0.5
333.15533	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	333.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25892	2.2
71.01255	0.2
76.62532	0.2
82.01659	0.2
82.50556	0.2
91.36437	0.2
95.04882	0.3
98.19717	0.4
111.00752	0.2
125.02323	1.3
126.03121	2.1
139.03900	9.2
140.04213	0.3
153.05484	1.0
158.02122	3.7
159.02515	0.2
180.67177	0.2
181.08559	0.6
191.03247	0.2
195.10149	0.3
235.13383	1.2
287.05969	0.2
291.02405	0.2
305.24686	0.3
333.24323	100.0
334.24646	10.3
351.14975	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2429
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
55.10473	0.5
57.03321	9.1
64.59487	0.5
71.01250	50.5
71.52039	0.8
75.17701	0.5
83.04900	0.9
84.02029	2.2
85.02877	0.6
94.41866	0.6
96.10087	0.6
116.29880	0.5
126.27407	0.6
139.03896	2.1
158.02037	1.1
165.89114	0.5
181.15787	0.6
250.56090	0.7
273.22293	1.2
289.25342	24.0
290.25708	2.0
291.23273	11.4
292.23657	0.8
315.23288	1.2
333.24329	100.0
334.20868	0.8
334.24667	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	333.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64634	0.6
57.03283	0.6
59.01240	2.2
63.95540	0.6
65.03836	0.9
67.01742	1.4
71.01265	1.1
71.10032	1.2
79.05427	0.5
80.02536	0.8
85.02780	1.6
89.13633	0.6
93.03311	1.1
95.04903	1.6
101.02330	1.8
103.08021	0.5
107.04948	0.7
108.02042	7.5
109.02821	9.2
111.00739	0.7
119.08544	1.0
121.02834	24.4
122.03630	20.1
123.04447	1.4
133.02858	3.2
134.03612	1.6
135.04362	1.1
149.02344	18.0
150.03098	3.8
159.04356	2.2
161.02342	9.1
161.04477	0.7
161.05997	1.8
161.07863	0.6
162.06787	0.6
163.07542	17.0
163.76587	0.7
174.10028	1.2
175.03920	1.9
175.07532	2.1
175.11061	0.7
179.52800	0.6
180.04042	1.0
189.05420	1.9
191.07080	1.7
231.13850	5.7
232.14087	0.8
241.12282	1.0
243.13841	8.5
244.14250	1.0
261.14926	100.0
262.15225	6.9
289.14435	44.5
290.14761	3.8
304.81500	0.6
333.13211	24.2
334.13580	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	333.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.4
69.60286	0.4
69.60690	1.8
71.01240	0.9
72.17780	0.3
73.02802	0.3
78.03350	0.8
80.04928	0.3
85.02825	0.7
92.04924	1.9
94.02857	0.6
94.06488	3.5
101.02314	0.8
104.04948	2.2
105.03339	2.3
106.06498	10.7
107.03613	0.7
107.06859	0.4
108.04443	1.9
109.81911	0.3
120.04436	4.9
121.05202	1.3
122.02348	0.6
122.06002	11.6
123.03175	1.6
124.07550	0.8
131.03682	0.4
132.04443	6.6
135.03218	0.3
136.03912	0.7
138.05502	20.5
139.05907	0.6
140.07028	0.4
148.03961	0.8
150.05510	2.6
159.06801	0.4
166.05017	0.8
173.08408	0.5
174.12769	0.5
184.11290	0.5
189.07919	0.9
191.10773	0.4
193.21434	0.3
200.05806	0.4
213.06604	1.1
214.07388	0.3
215.11830	1.1
217.07407	1.5
228.09000	0.3
229.09732	0.9
231.08980	0.8
231.11316	1.0
241.09770	2.3
243.11354	1.5
259.10867	0.6
261.14865	1.3
271.10873	0.6
289.11926	100.0
290.12250	7.5
333.10757	7.1
333.14145	0.4
334.11298	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13489	5.8
59.01243	19.9
61.98700	69.6
63.08413	6.0
66.68166	6.6
69.87099	32.5
79.51132	6.0
88.29726	5.4
108.02045	7.7
121.02811	9.0
121.50549	7.4
129.20551	6.4
147.04428	8.2
148.07303	5.2
152.01018	7.9
239.69403	6.4
239.86894	6.3
243.14084	6.6
244.14200	10.8
270.12119	7.1
287.12616	7.0
288.13217	18.6
288.56168	7.1
301.14514	30.6
316.78436	5.6
332.15106	8.9
333.15515	41.1
333.20679	10.0
333.24286	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	333.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38908	8.2
59.01255	100.0
61.43762	9.2
69.69608	50.5
71.01255	65.9
73.02823	13.0
74.97350	8.4
78.95770	83.8
85.02821	21.6
87.00780	11.2
89.02323	39.0
96.96836	16.8
101.02329	31.7
112.03906	12.5
119.03416	18.0
152.99474	51.5
154.08681	12.5
241.01091	25.4
297.11877	52.2
333.06021	58.6
333.09161	17.5
333.12329	17.3
334.15070	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	332.1502
Annotation	Spartioidine
Peak:m/z	Relative Intensity
50.65725	0.4
57.03315	0.5
57.83187	0.4
58.99476	0.6
59.01245	5.5
67.95299	0.4
69.00979	0.4
69.41866	4.0
69.42223	0.8
69.63902	0.6
70.45940	0.4
71.01269	2.4
71.01598	0.5
72.99160	0.6
80.51626	0.5
83.04889	5.0
85.02818	1.2
87.00685	0.6
89.02292	1.7
93.03325	1.4
95.01273	0.7
98.19707	0.8
101.02322	1.1
102.98475	3.7
103.03876	0.6
106.04112	1.7
107.04889	2.0
109.02810	1.4
112.04969	0.5
113.02293	0.7
113.63618	0.5
119.03379	1.1
119.04916	6.3
119.10915	0.4
121.02839	3.9
122.03598	1.6
123.00780	0.5
133.02838	0.8
133.06479	1.1
134.03625	1.4
135.04405	0.7
137.02339	1.6
141.06990	0.7
145.06470	0.5
149.02344	1.5
149.33929	0.6
150.03024	0.7
151.07530	1.0
153.09100	1.5
157.12218	0.5
159.04466	0.5
159.08043	1.5
160.03928	0.8
161.05980	33.2
161.09592	1.1
162.06270	1.0
163.03925	2.2
172.03947	26.0
173.04282	0.8
173.09619	2.5
175.03955	0.6
175.07513	1.3
176.04733	2.8
177.05434	0.8
178.04999	1.7
178.06340	0.8
187.07527	2.0
188.08376	0.8
189.05563	1.1
190.05013	12.4
191.05400	0.7
203.07057	2.3
205.08516	0.7
214.05031	5.9
215.05730	0.7
216.06589	4.6
225.07999	0.6
226.08455	0.5
232.06081	9.5
233.06709	1.5
243.08960	0.6
243.13936	0.8
244.09776	0.7
245.11731	4.7
255.02887	0.6
258.12482	1.5
261.14847	2.6
263.12683	0.6
265.09174	0.7
272.06674	0.5
276.13632	7.0
277.13925	0.7
279.62009	1.2
296.12766	2.5
314.13962	15.8
315.14227	1.0
332.15009	100.0
333.15576	7.3
343.77185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1502
Annotation	Spartioidine
Peak:m/z	Relative Intensity
55.51338	0.9
57.03321	2.0
59.01243	2.3
61.89398	0.9
65.03835	1.8
66.43037	0.9
69.24131	1.0
69.26412	1.9
69.26815	7.3
70.44785	0.9
77.64175	1.0
79.05491	0.9
91.01749	1.5
93.03331	2.1
93.70824	1.1
103.69571	0.9
105.03338	5.7
106.04122	2.9
107.01230	1.0
107.04846	1.5
108.02042	2.2
109.02817	2.4
117.03362	1.6
121.02837	6.2
122.03636	7.7
122.04403	1.3
123.04424	1.0
130.04128	4.2
133.02811	1.7
133.97076	1.0
135.04393	4.0
136.01563	2.3
137.02371	1.7
143.04932	4.6
144.05698	8.7
145.06482	7.7
149.02336	11.6
150.03111	8.6
152.00912	1.2
157.06511	5.0
159.04373	1.3
159.08028	1.2
161.02342	17.3
162.03107	1.6
163.03900	2.3
167.03404	2.7
170.07088	1.2
173.09613	6.0
175.07639	1.3
176.03432	3.7
178.05040	1.1
179.03413	1.2
182.02103	1.6
183.08072	1.7
185.09657	2.4
187.03871	3.3
188.04749	1.7
188.22668	1.0
191.10660	1.3
201.05482	2.3
203.07059	23.8
203.10648	1.4
206.04489	3.0
227.07109	2.1
229.08644	2.8
243.13731	2.6
261.14908	4.3
269.11728	1.2
287.12875	53.6
288.13263	4.9
305.13931	75.8
306.14182	6.6
309.21393	0.9
314.13962	6.8
332.15012	100.0
333.15363	6.5
333.20728	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	332.1501
Annotation	Spartioidine
Peak:m/z	Relative Intensity
50.64743	0.9
57.03301	1.4
59.01239	2.2
65.03823	1.4
71.52690	1.3
87.12000	0.9
91.01759	2.0
93.03293	2.9
102.79914	0.9
105.03329	4.8
106.04109	3.7
107.04903	1.6
108.02030	3.7
109.02808	2.4
117.03313	2.6
121.02808	7.0
122.03617	7.6
123.04439	1.0
128.57990	1.1
130.04115	4.7
133.02840	1.7
135.00711	1.0
135.04408	1.8
136.01521	1.8
137.02330	1.2
137.79280	0.9
143.04942	5.4
144.05679	9.8
145.06532	6.6
148.01527	1.1
149.02321	11.4
150.03122	6.9
156.05898	1.1
157.06503	5.1
158.07202	1.8
159.08102	1.0
161.02359	15.0
162.03036	1.2
167.03391	3.3
169.06441	1.3
173.09633	6.5
176.03384	3.8
179.03403	1.0
183.08075	1.5
185.05948	1.8
185.09737	2.7
187.03918	3.5
188.04677	1.6
201.05533	1.5
203.07068	23.6
203.10735	1.1
206.04544	3.4
227.07004	2.3
229.08617	3.1
243.13852	2.6
261.14850	5.3
269.11606	1.2
273.11264	1.4
287.12869	47.6
288.13174	4.6
305.13907	86.6
306.14236	6.8
314.13974	9.1
332.14999	100.0
333.15359	8.1
333.20502	1.1
333.24039	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58130	0.8
57.03313	1.2
60.70536	0.7
65.03826	2.1
67.01759	0.9
69.21602	1.7
69.22014	6.2
79.05413	1.0
80.02551	3.0
91.01753	2.0
93.03337	4.1
107.04909	1.4
108.02047	17.3
109.02855	7.0
117.03330	0.9
121.02841	20.8
122.03639	7.4
130.04123	1.8
133.02847	4.7
134.03632	1.9
134.04652	0.8
135.00758	1.8
136.01526	3.0
137.02328	1.2
143.04919	3.7
144.05728	5.1
145.02826	4.5
145.06471	2.8
147.35559	1.0
149.02357	9.5
149.63602	0.9
150.03078	2.8
152.01054	25.5
153.01904	1.0
157.06490	3.1
159.04376	2.5
159.08052	3.1
161.02336	7.0
161.05957	3.4
162.03070	1.2
162.06670	1.2
165.01833	7.9
169.06450	1.1
170.07227	1.6
173.05983	1.3
173.09601	1.0
175.04013	0.9
175.07605	1.9
175.11256	0.8
177.01833	2.7
181.06541	1.4
183.08005	2.3
187.03941	12.4
188.04736	4.1
189.05455	4.0
192.02963	3.3
199.07552	1.1
201.05481	9.1
203.03458	0.9
203.07092	1.3
203.10709	3.3
205.04985	3.1
209.09639	2.0
216.06654	1.8
219.06584	5.0
225.12827	2.1
227.07129	1.8
227.10716	1.0
229.08652	7.2
241.12300	2.3
243.13860	36.6
243.78888	0.8
244.14215	2.5
261.14990	5.2
269.11792	17.3
270.12314	1.4
287.12869	49.8
287.35617	0.8
288.13208	3.6
305.13937	2.9
314.13828	6.8
332.15009	100.0
333.15414	6.7
337.18704	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53373	0.5
59.01226	0.7
60.23796	0.5
64.07673	0.6
65.03807	0.7
69.19686	6.2
71.01253	0.7
79.05389	0.9
83.04884	7.5
85.88644	0.6
91.01759	0.9
93.03325	2.1
94.84151	0.6
106.04091	2.4
107.01200	0.8
107.04904	7.4
108.02054	3.9
109.02843	4.1
117.03329	1.1
119.04892	0.8
120.66237	0.6
121.02073	0.9
121.02845	8.2
121.06448	0.7
122.03632	6.4
123.04405	3.5
123.07999	1.1
130.04141	3.6
131.08525	0.9
133.02815	2.0
135.00703	0.7
135.04382	2.0
136.01521	1.5
137.02322	0.9
138.03120	0.9
143.04907	4.4
144.05663	1.9
145.02721	0.7
145.06508	4.7
146.30305	0.6
147.08044	3.0
149.02339	4.7
150.03107	2.6
151.03879	0.6
152.01016	1.7
157.06487	4.3
158.02374	0.8
158.07098	0.7
159.04424	1.0
159.08086	4.7
161.02338	14.6
162.02803	0.7
163.03917	1.6
164.55313	0.6
165.01781	1.3
165.91434	0.6
173.05971	1.2
173.09608	4.8
175.03952	0.6
175.07532	4.4
176.01010	1.8
177.01842	1.2
185.05934	1.5
186.01764	0.6
187.00380	0.7
187.03893	2.4
187.07567	0.8
188.04813	0.8
188.08318	2.8
189.09140	1.2
191.10674	1.9
192.02951	3.9
201.05472	3.6
202.99773	0.9
203.07060	21.7
204.00499	7.2
204.07401	0.9
206.04466	2.2
209.09554	0.6
216.07901	0.9
217.08615	2.9
218.99255	1.0
219.06444	1.1
220.03827	0.6
225.12717	1.3
229.08705	0.7
231.99986	1.0
243.13855	40.8
244.14174	2.6
261.14935	6.4
269.11832	2.5
271.13321	2.1
278.60388	0.5
287.12851	65.2
288.13226	5.2
289.07074	3.3
305.13919	13.6
306.14194	1.3
314.13943	6.5
315.14270	1.0
332.14996	100.0
333.06207	1.0
333.15305	8.8
333.24347	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	0.4
66.03746	0.4
67.76690	0.4
68.91861	0.5
69.33265	0.4
71.52345	0.5
72.99205	0.5
77.15768	0.5
78.41692	0.4
83.04908	1.5
92.02592	0.7
93.03333	2.5
95.01260	5.6
98.20319	0.6
101.05951	6.1
108.02046	100.0
109.02383	2.5
118.02872	4.5
136.01555	6.8
146.02374	3.0
163.02646	46.8
164.03423	8.6
188.70714	0.4
230.08037	1.0
248.09195	1.3
305.13980	1.1
327.10629	0.5
332.15015	10.3
332.18860	0.6
333.15616	0.8
333.24176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.15
Annotation	Spartioidine
Peak:m/z	Relative Intensity
51.01031	0.5
53.35050	0.4
59.01240	0.5
63.34219	0.4
65.00183	0.5
69.97649	0.9
69.98060	1.7
77.03851	0.7
79.05371	1.2
88.00259	0.7
88.34070	0.5
93.03304	0.7
98.20053	1.0
105.03338	27.8
106.03627	0.9
107.04861	1.0
108.01991	0.6
109.02854	0.7
112.01663	0.5
116.07806	0.5
117.75748	0.4
119.04940	0.6
120.98637	0.4
121.02842	9.6
122.03629	14.3
123.04417	8.6
135.04436	0.9
136.01555	1.9
137.02361	0.6
138.03055	0.9
143.04964	0.6
149.02341	39.7
150.03128	28.5
151.03619	0.9
156.05716	1.1
157.06465	1.3
159.04463	1.3
161.02379	0.7
161.06023	0.7
167.03398	9.9
171.04398	2.3
173.06027	0.8
175.03914	0.8
176.03436	12.0
182.02124	5.1
187.03857	0.9
188.04597	0.6
191.06906	0.8
194.04504	2.2
201.05426	0.9
210.10262	0.6
213.09126	1.2
214.09419	2.3
219.06563	0.9
225.12762	0.9
230.12675	0.8
231.10233	1.8
232.10493	4.5
243.13814	2.7
245.08167	0.6
246.07715	3.1
261.14877	1.5
267.32410	0.5
269.11874	4.1
274.11697	0.9
287.12866	36.7
288.13171	2.6
288.16656	1.0
296.12985	0.7
305.13873	12.0
306.14294	0.9
314.13959	3.4
315.14499	0.6
332.15039	100.0
333.15356	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	331.2276
Annotation	21-hydroxypregnenolone
Peak:m/z	Relative Intensity
57.03318	10.0
59.01216	0.6
60.54950	0.5
71.01250	55.8
71.52174	1.2
72.01585	0.8
73.02801	0.7
83.04891	1.3
84.02032	2.2
85.02792	1.0
97.02808	1.0
108.95432	0.6
125.02341	1.7
126.03085	0.7
139.03897	8.9
148.00453	0.5
153.05449	1.1
158.02097	2.5
181.08559	0.7
262.15582	0.7
271.20694	1.0
287.23798	9.3
289.21750	6.3
290.22165	0.7
302.64664	0.6
313.21878	0.8
331.22751	100.0
332.23102	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	331.2277
Annotation	21-hydroxypregnenolone
Peak:m/z	Relative Intensity
67.01743	0.6
88.62691	0.3
91.08197	0.3
95.04924	0.4
106.05029	0.4
123.00764	32.0
124.01579	7.8
137.02336	21.6
137.03445	0.3
138.02719	0.4
139.03912	0.7
151.03889	1.3
153.01688	0.4
156.00534	1.8
165.05519	0.3
179.07068	0.9
193.08633	0.4
197.75407	0.3
221.11772	0.5
233.11784	2.2
261.22098	0.4
329.21228	0.4
331.22760	100.0
332.23102	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	331.2276
Annotation	21-hydroxypregnenolone
Peak:m/z	Relative Intensity
54.54354	0.3
56.32352	0.3
57.43191	0.3
59.01225	0.5
63.58859	0.3
69.64202	1.5
69.64615	0.6
71.01241	0.5
80.94508	0.3
84.35030	0.3
85.62789	0.3
86.54971	0.3
87.83958	0.3
89.76287	0.3
95.04890	0.8
98.20583	0.4
99.33104	0.3
103.79765	0.3
125.02374	1.8
126.03111	4.2
139.03903	24.4
140.04218	0.9
153.05486	1.4
158.02094	6.7
167.06940	0.4
181.08644	1.8
195.10188	0.6
210.88480	0.3
223.13307	0.9
235.13292	0.4
262.15683	0.5
275.16425	0.6
285.72278	0.3
287.23856	0.8
331.22766	100.0
332.23102	9.5
332.26135	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	25.3
59.01259	2.5
68.09941	1.2
69.03314	7.8
71.01249	2.5
71.04861	3.1
73.85690	1.3
83.04900	14.4
85.06458	1.6
93.03317	2.1
95.10362	1.2
97.02823	50.8
97.06423	3.1
97.38511	1.2
99.04355	1.8
99.08013	3.3
104.63725	1.2
107.08516	4.8
108.02052	2.8
109.06459	3.7
118.27013	1.3
120.84282	1.1
121.02863	2.0
121.10081	4.4
122.03609	5.5
123.04391	1.6
123.08022	3.4
135.04364	2.1
135.11720	3.0
136.05203	1.4
149.13268	12.1
163.14870	1.7
188.74942	1.3
201.16350	2.0
215.18100	6.0
217.16048	2.7
217.17961	1.5
223.10919	1.2
229.19580	1.8
231.17465	5.4
242.74863	1.2
245.15417	35.5
246.15727	1.7
255.17337	1.6
259.14215	1.7
259.16992	29.6
269.22726	21.2
270.23114	2.1
283.15601	1.2
285.22226	3.3
287.23727	4.9
313.21716	77.4
314.21957	6.3
331.22748	100.0
332.23114	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	331.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16866	0.8
57.03053	1.6
57.03321	23.0
69.03322	9.3
69.57576	5.4
69.83926	0.9
70.51196	1.0
81.03320	1.3
83.04887	8.1
84.67567	0.8
85.06446	1.4
88.63013	0.8
93.03332	1.0
95.01248	1.2
96.15287	0.9
97.02825	52.2
97.06460	3.5
98.03167	1.4
99.04379	1.2
99.08019	3.5
104.94337	0.8
105.06985	1.0
106.04072	0.8
108.02056	1.6
109.02834	2.2
109.06469	4.7
111.00758	1.2
113.09606	28.9
121.02813	1.3
121.10057	1.5
122.03622	4.9
123.08088	1.3
134.03690	1.2
135.04350	1.8
135.11722	1.1
136.05220	1.4
139.11154	2.9
145.09901	0.9
148.05290	1.1
149.13255	8.7
153.12718	2.6
161.13240	2.1
163.14809	2.0
175.11229	0.9
177.16376	1.1
187.11205	1.0
187.14807	0.8
189.16525	0.9
203.14273	1.2
215.02197	0.8
231.11667	1.2
231.13828	11.3
239.32516	0.8
249.07465	0.8
261.22363	1.1
269.22742	11.1
271.20697	1.7
285.22205	2.4
287.23779	10.4
295.20764	1.1
313.21735	36.2
314.22021	3.5
331.22751	100.0
332.23151	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	331.1549
Annotation	Cryptomoscatone E3
Peak:m/z	Relative Intensity
59.01236	1.3
63.37008	0.4
71.52305	0.4
87.04366	0.8
96.95872	0.5
101.02338	0.4
119.04890	0.4
121.02818	0.4
149.06007	0.6
159.04370	0.5
165.07524	0.4
173.02339	8.8
174.02783	0.4
175.03979	0.6
176.94823	0.4
187.03912	0.7
188.04697	20.8
189.05099	1.1
200.04691	0.9
220.03708	18.2
221.04044	1.1
232.03668	0.9
235.93388	0.4
239.07085	0.6
240.07848	2.3
243.10222	55.5
244.10539	3.5
255.10228	4.0
258.09140	0.5
267.13864	1.2
272.06885	1.7
279.10272	2.4
280.11093	0.6
281.49170	0.6
287.12769	0.6
290.07901	0.7
295.13361	9.7
313.14432	21.8
314.14630	2.1
329.13876	0.7
331.15494	100.0
332.15759	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	331.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
57.03308	0.9
59.01250	100.0
60.01588	0.9
63.33456	0.6
70.69098	0.6
71.01247	7.2
73.02819	2.3
79.95615	1.1
83.01281	1.9
83.04887	1.5
83.92142	0.6
85.02828	4.8
89.02316	1.5
89.92347	0.6
93.03381	0.7
94.97969	0.9
96.95911	0.6
99.00785	0.7
101.02321	5.1
107.04929	1.1
113.02336	2.7
121.02844	0.9
121.06495	1.9
143.04922	1.0
159.02988	0.8
159.08113	2.7
160.05206	0.6
161.02483	0.8
161.04472	2.9
161.09627	0.8
162.62109	0.5
171.04691	0.6
184.95641	0.7
188.04807	0.9
202.08336	0.5
203.07187	1.9
229.28024	0.7
231.10190	4.4
245.08218	1.6
245.11992	0.7
250.49469	0.7
259.13467	1.1
273.11246	1.2
287.12906	0.6
287.20212	0.9
289.16806	3.8
331.11914	1.5
331.15573	5.9
332.15027	4.2
346.78854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64665	0.7
53.09634	0.8
54.15468	1.0
59.01243	1.4
60.62243	0.8
63.03577	0.8
69.32294	6.8
85.02819	1.3
92.29770	0.9
93.27494	0.8
98.99241	0.8
107.57610	0.8
121.02840	38.3
122.03611	2.4
134.03659	5.7
135.04387	1.5
156.35783	0.9
161.02347	100.0
162.02724	3.7
163.03903	3.0
177.02126	1.0
194.05797	9.1
245.15465	2.4
252.72031	0.8
293.87531	0.9
299.16504	28.3
300.16809	3.5
306.24377	0.8
331.15588	1.4
331.19171	2.6
331.22803	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	331.1912
Annotation	Inflexarabdonin I
Peak:m/z	Relative Intensity
59.01253	11.9
69.03307	3.7
69.93061	4.2
69.93478	1.7
71.01241	3.8
83.01258	1.2
85.02837	3.0
93.81899	1.1
95.04823	1.1
97.02826	62.6
97.06445	1.9
98.20060	2.9
98.20618	1.3
108.02034	1.7
109.02866	2.2
114.96101	1.2
121.06499	1.4
122.03616	3.5
123.04439	1.1
123.08041	1.6
127.07533	25.4
132.75667	1.5
135.08034	1.9
145.00137	1.1
147.08032	1.5
153.01859	1.3
159.08057	1.3
161.09637	1.6
163.11212	2.3
165.05365	1.7
165.09070	1.9
165.12808	1.8
181.12250	1.8
184.47614	1.3
185.51534	1.1
187.11218	1.3
189.12787	19.8
190.02203	2.3
191.02299	2.2
191.07042	10.3
203.14348	4.1
205.08633	16.7
205.29266	1.3
206.09094	1.9
207.10193	8.1
209.84863	1.3
215.10489	1.7
221.15381	1.8
225.11209	1.9
229.16112	1.9
233.11511	8.7
249.14743	1.3
259.24750	1.2
269.19064	11.1
283.16931	11.6
286.91147	1.3
287.20093	3.6
295.17032	1.8
313.18082	100.0
314.18365	10.6
331.19125	85.5
332.15646	1.8
332.19443	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	331.1549
Annotation	Pestalotiopsone A
Peak:m/z	Relative Intensity
59.01240	1.0
66.62180	0.5
67.48679	0.5
71.01230	0.9
91.01774	0.6
93.03352	1.5
106.04121	2.6
107.04912	1.6
119.04894	0.6
121.02847	1.4
122.03594	0.5
130.03238	0.5
130.04153	9.7
136.01529	0.7
138.03094	1.1
143.04930	9.6
144.05743	3.0
145.02811	0.6
145.06490	10.6
146.06839	0.5
149.02336	2.4
150.03076	1.6
157.06494	6.1
158.07227	2.1
159.00865	0.6
159.04446	2.1
159.08057	8.9
160.05153	0.8
161.02338	3.5
161.05937	1.5
162.03091	1.8
167.03468	0.7
169.06543	0.5
170.07161	0.6
171.08020	2.2
172.08794	0.6
173.06039	1.3
175.07585	5.9
179.03398	2.9
183.08083	0.7
185.05916	1.2
187.03935	4.2
190.06284	1.4
191.03349	1.0
201.05495	3.1
202.06207	1.2
203.07072	9.2
205.04950	0.6
207.02908	5.4
219.03003	1.4
221.08243	0.8
225.12785	0.6
227.14378	11.6
228.14465	0.7
231.06494	3.6
247.05972	0.9
271.13385	42.8
272.13718	3.0
289.14441	93.5
290.14807	7.7
299.12759	2.5
303.15979	5.1
331.15485	100.0
331.22385	2.4
332.15851	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	331.1548
Annotation	Anisocoumarin G
Peak:m/z	Relative Intensity
57.03302	0.4
59.01249	2.0
62.45992	0.4
65.03812	0.6
67.01742	0.5
71.01259	1.0
71.04858	0.4
71.52454	0.7
81.03289	0.6
83.04884	1.0
84.06782	0.3
85.06448	2.6
87.04382	11.1
93.03320	0.8
95.04918	0.4
97.06456	0.5
107.04865	1.0
111.08029	1.5
113.00826	0.3
119.04904	5.8
119.97683	0.3
121.02837	0.6
121.06456	0.8
121.85179	0.3
125.05943	1.1
126.30724	0.4
131.04826	0.4
131.08502	0.4
133.06447	0.3
134.03624	0.6
135.04408	1.2
135.08023	0.6
137.05902	0.4
143.04930	0.7
145.02827	0.5
147.04402	9.3
147.08031	0.4
148.05142	1.2
149.05952	0.5
157.06480	0.4
158.07187	0.6
159.04404	1.4
159.07936	0.5
160.05188	6.0
161.02322	1.0
161.04651	0.4
161.05978	5.0
161.09633	0.8
162.03056	0.6
171.08083	0.5
173.02386	0.8
173.05972	2.7
174.03081	5.5
174.06741	0.9
175.03908	7.0
175.07515	3.8
177.05531	0.6
185.05998	0.6
185.09637	1.1
186.06804	0.5
187.03888	4.2
187.07550	0.9
187.11133	0.7
188.04700	24.6
189.05148	1.7
189.09111	0.7
191.03349	0.4
192.04198	5.9
198.06769	1.4
199.07491	0.5
200.08266	0.5
201.05453	2.7
201.09132	2.9
202.06271	5.2
203.03444	0.6
203.07028	5.1
203.08734	0.6
203.10646	2.7
204.07594	0.4
205.08649	3.3
206.02147	2.2
212.04718	0.9
213.09120	2.8
215.03387	0.8
215.07109	0.8
215.10527	0.5
216.07965	0.9
217.08531	0.7
217.12114	0.4
218.09412	3.4
219.09944	4.8
227.07137	2.1
227.10690	0.5
228.07843	0.5
229.05130	0.5
229.08647	2.9
229.12196	2.8
230.05730	2.7
231.10196	100.0
232.10530	6.1
233.11548	2.5
241.12459	0.4
243.10214	2.6
245.08136	43.7
245.11696	4.6
246.08589	3.3
246.12482	0.6
247.09694	4.5
255.10182	3.0
257.08093	0.4
258.08920	0.5
259.13327	5.5
261.11176	0.8
271.09912	0.4
271.13394	1.1
272.10599	0.5
273.11292	29.7
274.11584	1.8
287.12909	2.2
287.15866	0.5
289.14432	11.1
290.14764	0.4
301.14545	1.0
303.15945	2.6
313.14389	0.9
331.15466	79.6
332.15814	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	331.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	16.8
59.01250	100.0
66.79862	6.5
71.01240	21.0
71.04909	13.9
71.16154	17.7
73.02814	12.7
75.00754	7.6
81.03343	9.4
85.02798	26.9
85.54415	6.9
87.00737	8.1
90.53879	6.8
92.20243	6.6
99.04381	9.2
109.06463	10.4
113.02369	10.0
114.55849	6.8
119.09705	6.4
123.08057	9.7
124.05126	7.6
125.05955	23.9
127.03889	31.0
130.01099	6.6
141.09062	47.9
151.07532	14.5
151.11203	34.9
155.10732	7.0
163.11133	6.9
191.10715	21.1
209.11842	17.1
227.12770	21.6
245.18822	7.1
254.72369	6.3
271.11960	9.8
289.12933	10.9
300.19391	8.0
331.13831	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	330.1346
Annotation	Cephalotaxine beta-N-oxide
Peak:m/z	Relative Intensity
59.01243	4.6
59.72423	1.3
64.68039	1.4
65.76935	1.3
67.01749	2.5
71.01234	1.4
71.04908	1.7
71.32121	2.7
79.05402	2.8
83.04943	2.0
87.04386	3.2
87.97599	1.2
93.03337	2.5
106.04143	3.0
107.04906	4.5
108.02142	1.8
119.04897	7.0
121.02837	3.6
121.06454	2.2
133.02838	10.0
134.03667	1.3
147.04413	5.5
149.02336	2.6
157.06453	2.3
159.04410	6.5
159.08067	1.6
161.02341	75.2
161.05997	2.6
162.02702	4.2
163.03836	1.4
163.19313	1.3
169.06464	2.0
170.07278	3.9
171.04410	5.2
171.08046	3.1
173.05951	2.0
173.09616	2.5
175.03966	8.4
175.07547	1.5
177.64989	1.4
185.05978	3.0
187.03934	5.4
187.07538	5.8
188.04718	5.5
189.09140	13.2
201.05458	3.1
201.09244	2.4
203.07063	8.1
203.10535	1.5
213.05498	4.3
213.09158	38.4
214.06270	11.6
215.07014	7.9
227.07048	3.4
227.10777	2.4
227.14301	6.1
229.12328	12.9
229.15907	2.1
231.10201	49.6
241.12332	4.8
242.08224	4.1
245.08202	14.3
245.11945	1.5
247.09702	2.1
255.10266	3.8
258.08572	1.7
258.12683	1.8
259.13388	9.4
259.17169	1.5
269.15396	1.4
271.13345	3.0
273.11267	15.3
274.15811	1.6
282.15009	7.4
285.11313	56.3
286.11603	4.9
287.13345	1.8
287.16367	7.8
289.14459	6.5
298.14517	3.5
300.15982	5.7
303.12369	19.0
312.12415	6.9
312.15732	2.9
313.14383	1.9
330.13412	100.0
330.17126	32.3
331.15546	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93366	0.9
57.03321	1.2
58.23248	0.8
59.01236	1.4
69.35429	2.3
69.35836	4.9
72.25124	0.7
78.67635	0.8
83.04908	0.8
85.45556	0.8
97.02828	1.4
108.02043	2.3
109.02903	1.0
121.02808	2.7
121.06472	0.9
122.03593	1.5
122.61456	0.9
123.00799	0.9
136.01564	0.8
137.02315	1.9
138.03142	1.0
141.31285	1.0
149.02353	2.3
149.05962	0.9
150.27402	0.7
152.99481	1.7
157.06604	1.0
159.04387	1.8
161.27841	0.7
164.04773	1.7
167.03267	1.2
173.05989	1.3
174.06746	1.7
175.07561	27.3
176.04178	0.9
176.07854	1.2
177.05504	2.4
180.03925	1.0
189.09048	1.6
191.07085	7.1
191.14345	1.5
192.14690	1.6
196.03639	3.2
201.05583	1.1
217.08617	1.3
219.06615	1.6
219.13786	2.0
220.14232	4.8
228.06619	6.4
243.09521	1.2
244.09944	1.7
244.14600	6.6
246.07709	7.6
259.17035	9.4
260.14142	3.5
260.17181	1.0
270.08664	1.7
271.08820	5.7
275.08743	0.9
276.09058	2.6
286.22592	2.0
297.13724	4.2
312.16016	11.3
314.08176	0.9
315.14688	7.5
330.17111	100.0
331.17627	8.2
331.22870	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	330.1345
Annotation	Cephalotaxine beta-N-oxide
Peak:m/z	Relative Intensity
59.01243	7.1
71.52157	4.6
85.17608	2.7
86.43770	2.6
100.65692	2.6
101.69269	2.8
103.01534	2.9
121.02812	9.6
133.02835	4.1
144.04570	3.0
159.04388	9.0
173.06023	6.2
173.09567	4.0
199.59117	3.1
201.05705	3.1
203.03542	3.6
223.11084	3.5
241.12358	5.2
241.16357	2.8
259.13370	6.4
285.11368	11.2
287.12964	3.0
303.12454	20.1
305.96539	2.9
312.12402	100.0
313.12769	5.9
317.42923	3.1
330.13614	24.7
330.23639	8.3
331.10568	4.2
331.15335	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	330.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99996	0.4
51.44249	0.4
59.01248	0.5
69.03299	0.4
69.95920	1.6
72.39541	0.4
79.02365	0.3
81.03328	5.4
82.49348	0.3
92.02545	0.7
93.03337	4.4
95.01254	6.5
98.20576	0.3
99.04397	3.1
108.02045	100.0
109.02376	2.6
118.02859	4.4
120.02053	0.7
120.69671	0.3
121.02818	0.6
123.00764	0.8
136.01544	7.6
146.02373	5.5
149.02335	3.9
150.95583	0.4
157.06439	1.8
163.02649	43.1
164.03433	20.3
165.03766	0.8
174.09297	0.3
176.03458	1.3
201.05511	1.5
209.76004	0.3
230.08267	0.4
248.09247	14.5
249.09637	1.4
285.11362	1.4
303.12329	3.2
306.17688	0.4
330.13446	11.5
331.13785	1.2
331.22873	0.5
332.07928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03312	1.1
65.04284	0.6
67.60516	0.6
69.86206	0.5
96.00126	0.6
97.06473	0.7
98.20651	1.5
99.08035	7.1
112.15476	0.7
125.09602	1.3
127.11211	3.5
139.11183	7.5
167.14229	0.7
171.10172	17.4
172.10423	0.8
183.13820	3.9
193.12285	1.7
201.11154	0.8
211.13322	25.5
212.13733	1.4
213.28622	0.6
229.14397	13.9
311.22073	0.8
329.23312	100.0
330.23596	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	329.2332
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
52.10374	0.3
58.00469	1.8
59.01248	4.5
69.76617	1.6
72.99166	0.8
79.64792	0.4
83.04878	0.3
97.06463	0.5
98.19861	0.4
99.08028	9.5
99.08651	0.7
104.10326	0.3
111.08068	0.4
127.07532	1.7
129.09097	7.6
139.11166	0.4
155.10683	0.5
155.14311	0.7
167.10655	0.4
169.12242	5.8
171.10127	0.4
174.92963	0.4
175.03915	0.4
181.12251	4.8
183.13861	2.0
193.12234	2.0
197.11789	2.2
199.13318	21.6
200.13686	1.3
211.13319	10.4
212.13690	0.6
222.26949	0.3
227.12831	1.6
229.14565	0.8
271.02646	0.4
275.20193	0.8
293.21207	1.9
311.22174	2.5
314.04620	0.5
329.14044	2.1
329.23303	100.0
330.13651	0.8
330.23666	7.8
349.79474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1346
Annotation	Cephalotaxine beta-N-oxide
Peak:m/z	Relative Intensity
58.35050	2.9
59.01255	11.8
59.20588	3.4
59.37166	3.1
66.60479	3.3
69.34330	4.3
69.34670	29.9
71.01270	3.7
72.53983	3.4
77.18190	3.0
88.46259	3.1
116.20502	3.1
121.02847	11.0
121.92709	3.4
159.04366	6.8
241.12286	7.6
259.13361	5.1
285.11325	12.4
287.12851	5.0
303.12418	19.5
312.12390	100.0
313.12784	9.1
330.13617	28.2
330.23703	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	329.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17965	0.5
57.03323	5.8
59.01267	4.2
69.03326	24.6
69.57427	2.7
69.57832	1.0
78.95759	1.5
81.03350	0.7
83.04907	2.2
85.02842	1.1
90.86227	0.5
95.04918	0.7
97.02831	100.0
97.06454	1.6
98.03163	2.6
98.20567	0.6
104.08867	0.6
107.08525	1.0
108.02055	1.5
109.02853	1.8
111.00735	0.9
111.08008	0.7
113.02298	0.6
113.09614	10.9
121.02871	1.1
122.03634	4.7
123.04419	0.7
133.10152	1.0
135.04399	2.4
136.05200	1.1
139.11180	9.5
140.11461	0.5
148.05139	0.7
152.99492	2.5
158.39064	0.5
159.11652	1.1
165.12683	0.9
166.02570	1.1
167.03395	0.9
173.09708	1.2
173.33925	0.6
177.09084	0.7
187.14781	0.7
189.09163	1.3
189.12770	2.0
203.10709	1.7
207.10052	0.7
213.12762	0.9
215.10696	3.4
231.13853	3.0
231.17532	1.7
245.08049	0.7
279.23282	1.7
285.22177	5.6
299.01917	0.8
311.20157	1.3
329.06680	0.9
329.21176	50.3
330.21439	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	329.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.4
58.00450	1.3
59.01247	7.2
69.03327	0.6
69.20841	0.9
69.21262	2.8
71.01224	0.5
72.99162	0.7
76.70054	0.3
97.06495	0.5
99.08025	5.6
111.08039	2.7
113.09626	0.4
113.50366	0.4
121.02823	0.4
123.08012	0.4
127.07537	1.0
129.09103	4.0
149.02370	0.5
155.10648	0.4
155.14288	0.6
166.02582	0.4
167.03421	0.7
169.12244	5.0
171.10135	1.4
172.48619	0.4
181.12265	3.3
182.25833	0.4
183.13820	1.3
185.11578	0.4
193.12253	1.6
197.11729	1.6
199.13329	29.7
200.13651	1.3
201.11212	0.5
211.13332	8.4
227.12837	1.3
229.14415	2.0
271.02289	0.5
275.20151	0.9
293.21201	2.1
299.01987	0.7
311.22266	2.7
314.04379	0.7
329.23297	100.0
330.13483	0.8
330.23651	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	329.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	35.8
59.01243	13.6
59.01491	2.1
65.03819	1.9
69.03307	11.7
69.62909	1.9
70.86295	4.5
71.04889	33.5
78.95770	4.6
83.04899	15.8
93.06925	2.7
97.02823	65.2
97.06466	5.0
101.02348	2.0
107.08553	11.1
108.02023	4.0
109.02826	3.5
109.06438	7.7
111.00762	2.5
111.08073	2.1
119.08572	2.9
121.02818	2.8
121.10089	13.0
122.03638	9.6
123.08040	3.8
133.10109	4.2
135.04402	4.0
136.05179	2.0
147.11684	8.6
149.05927	2.0
152.99489	13.0
155.79689	2.1
157.46950	2.1
159.11673	2.9
191.14372	2.9
219.13841	5.1
227.17953	14.4
229.12363	2.0
243.17410	2.9
245.08006	2.4
253.15909	3.5
267.21176	17.9
268.21701	2.2
269.15314	2.5
271.02414	2.6
271.17001	58.3
272.17331	6.3
275.05786	2.2
277.21628	7.2
285.22189	8.2
299.02008	3.8
311.20135	39.9
329.06360	3.9
329.21143	100.0
329.26926	3.9
330.11243	8.3
330.21597	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	329.2121
Annotation	6alpha-Hydroxysuginyl methyl ether
Peak:m/z	Relative Intensity
50.93632	0.5
59.01263	2.2
67.01763	0.6
69.81728	2.0
71.01234	0.5
76.90986	0.5
85.30239	0.5
104.66546	0.5
119.74899	0.4
121.24448	0.4
123.00764	39.2
124.01579	7.4
137.02335	31.8
138.02702	1.3
144.80809	0.6
151.03893	2.0
152.97774	0.4
156.00549	2.2
165.05444	0.6
166.02602	0.5
173.62782	0.5
179.06995	2.2
193.08562	1.0
193.27948	0.4
221.11731	1.7
222.80412	0.5
259.20615	0.6
260.14252	0.8
268.69406	0.6
273.14999	1.7
327.19748	0.6
329.21182	100.0
330.21530	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	329.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	6.2
57.31833	0.7
59.01247	5.1
69.03326	23.4
71.01212	0.8
71.52420	0.8
76.05007	0.7
78.95770	1.3
83.04903	1.3
84.39874	0.7
85.02811	0.9
95.01226	0.8
97.02827	100.0
97.06467	2.3
98.03161	2.6
107.04900	0.8
108.02019	1.6
109.02863	1.3
111.00771	1.0
113.09609	12.6
121.02850	1.6
122.03641	5.6
123.04420	1.5
124.86059	0.6
133.10149	0.9
135.04428	1.8
135.08054	0.9
139.11180	8.5
151.07562	0.9
152.99455	2.3
161.09587	1.2
165.12764	2.4
166.02692	0.9
169.46460	0.8
171.81721	0.8
173.09622	1.3
177.09145	1.1
187.14839	0.8
189.12761	1.9
203.10716	1.0
213.12856	0.9
215.10733	3.3
231.13795	2.4
231.17453	1.3
271.16983	1.4
279.23206	1.6
285.22195	7.1
287.20023	1.2
299.01999	1.2
311.20129	1.3
329.06555	1.4
329.21149	46.9
330.21527	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	329.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30424	0.2
51.46662	0.2
54.74064	0.2
59.01234	1.0
62.15859	0.2
71.21473	0.5
87.04378	0.5
117.03348	0.9
121.02831	0.4
133.02827	0.4
144.78444	0.2
145.02829	0.6
161.02318	3.0
162.03120	1.3
176.01024	0.4
177.01828	0.6
189.01846	100.0
190.02562	15.7
191.03011	0.8
216.00603	0.7
217.01343	3.2
228.04317	0.3
243.06572	0.6
245.04335	0.3
245.08237	0.3
260.06863	51.6
261.07477	7.1
262.08075	0.2
297.12476	0.3
311.72824	0.3
329.13925	12.5
329.23169	0.7
330.14011	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	329.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01588	1.2
69.37714	2.5
69.38129	1.1
71.01250	0.4
74.06800	0.4
83.43159	0.4
85.02827	0.5
85.65099	0.5
99.04433	0.7
115.65205	0.4
123.04447	0.4
157.30235	0.4
166.99788	0.5
167.03488	0.5
205.84140	0.4
207.13857	0.8
209.11742	2.0
211.41449	0.4
225.14915	76.8
226.15221	3.5
227.12802	0.5
238.71098	0.4
251.12837	0.8
269.13931	10.7
269.17102	0.7
270.14343	0.7
287.15002	1.1
287.18329	0.5
329.16110	4.9
330.13284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	11.7
59.01254	6.2
64.14656	1.1
69.03323	24.2
70.03653	1.3
71.04874	1.2
81.03310	1.4
82.88116	1.2
83.04863	5.2
85.02830	1.6
88.46272	1.2
95.04884	2.5
97.02823	100.0
97.06457	1.9
98.03134	1.3
99.04399	2.8
107.08514	3.0
109.02814	2.6
109.06432	4.0
111.00734	2.4
111.08023	2.4
113.02303	1.6
115.03896	2.0
121.02813	1.6
121.10139	9.5
122.03634	1.9
123.04389	2.0
123.08060	2.2
125.05964	2.2
128.01102	1.0
133.10074	1.4
135.04407	3.6
135.08054	1.2
137.09618	1.4
147.11647	4.4
149.06004	1.6
152.99466	3.9
163.07474	1.3
165.12698	1.4
167.10519	1.5
177.09131	3.2
183.99644	1.1
203.10606	1.2
215.14290	4.2
217.12238	1.6
219.13849	3.2
231.13901	7.6
245.08112	2.0
259.13394	6.8
260.13846	1.9
265.08298	1.4
267.21143	3.0
281.86838	1.2
285.19131	2.1
285.22177	13.3
301.21783	1.4
311.20151	15.3
321.40619	1.2
329.06595	1.6
329.15549	6.9
329.21149	95.1
330.21442	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	329.1392
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
54.23992	1.0
59.01244	8.5
61.67612	1.1
78.05412	1.2
83.04892	10.3
87.04402	3.0
93.03342	1.5
97.02865	1.5
108.02045	2.0
109.02821	3.7
117.03331	1.6
118.04121	9.0
121.02860	2.1
122.03597	1.3
123.44137	1.1
129.03345	2.7
130.04158	6.2
133.02840	2.5
137.02327	4.3
143.04947	1.2
145.02850	4.6
145.06473	5.4
149.02284	2.6
150.03133	1.4
152.84273	1.3
157.06508	2.1
160.88634	1.1
161.02350	13.7
162.03105	9.8
163.03802	1.2
163.07552	1.2
166.02570	1.6
171.10115	2.0
173.02357	5.2
173.06018	2.4
185.05911	1.9
187.03920	1.2
187.07587	1.1
189.01825	8.4
190.02629	29.8
201.05496	10.2
203.07047	9.9
214.06180	1.3
215.07034	5.7
216.07896	8.8
217.01370	38.1
217.04974	3.6
218.01643	2.7
222.01651	22.6
227.03481	1.5
241.12273	1.4
243.06602	3.1
245.08200	3.2
259.13428	2.6
260.06863	100.0
261.07422	11.0
285.11334	25.3
286.01126	2.0
299.02127	1.4
303.12350	47.0
312.12439	4.3
329.02847	3.5
329.06470	1.6
329.13885	9.8
329.23254	10.9
330.13483	36.5
330.17044	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25368	4.2
57.03325	4.9
57.99453	3.5
59.01251	100.0
60.58569	3.6
69.33941	8.8
69.34347	30.7
71.01246	17.5
72.99189	10.9
73.02812	8.5
74.41675	3.5
75.59504	4.1
76.05291	3.5
81.03335	5.6
83.04897	6.3
85.02824	13.0
87.00773	4.0
93.03341	4.4
95.01297	5.7
95.04893	7.9
97.02834	5.1
99.00780	7.0
99.93378	3.4
101.02300	9.4
109.06467	4.5
111.04383	12.7
112.45223	4.0
113.02369	12.3
113.05959	9.9
115.00245	5.7
123.04379	17.9
123.08088	7.5
124.05225	6.2
125.05985	20.5
129.01852	3.9
131.03429	4.1
135.08057	5.1
137.05962	6.3
139.07556	25.2
141.01797	5.9
151.07561	15.2
153.09044	5.3
163.07555	6.6
163.48320	3.9
165.09126	7.3
165.45181	3.5
167.03366	34.7
167.07024	19.1
167.10718	5.9
177.09091	13.1
179.10689	8.1
181.08595	4.5
183.10185	4.3
187.13338	3.6
189.09190	11.5
190.34503	4.0
197.11798	20.7
199.04211	3.6
207.10168	18.9
225.11156	17.7
230.65887	4.4
269.10294	12.3
287.11389	6.1
329.12335	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	329.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24496	2.2
57.03311	6.3
59.01249	100.0
59.57341	2.4
60.42167	2.3
64.74966	2.5
69.03311	2.6
70.50176	6.3
70.50566	4.4
71.01254	13.2
72.99155	4.0
73.02816	4.8
75.00734	6.4
81.03319	5.6
83.04852	3.9
84.02020	3.0
85.02803	7.5
87.00697	3.0
89.06506	2.3
94.50477	2.2
95.04871	7.9
97.02796	3.1
99.00749	2.7
99.04389	4.5
109.06438	4.7
111.04394	21.9
113.02316	2.2
113.05957	8.1
121.06448	6.1
122.03590	5.6
123.08031	7.0
124.05191	10.4
125.05970	18.6
135.08043	4.9
135.73450	2.2
136.05135	2.6
137.05891	3.5
138.06749	6.4
139.07542	31.1
149.05983	5.2
149.09618	7.0
151.07547	16.3
153.09106	8.7
163.07526	4.2
163.11237	3.3
165.09067	9.2
167.07002	17.2
167.10744	6.1
174.69530	3.2
177.09047	12.5
179.10669	7.5
181.08640	7.8
183.10114	6.6
189.09079	7.4
195.10144	2.5
197.11774	16.1
207.10204	18.7
225.11273	14.8
251.09285	3.2
269.10220	7.7
287.11392	6.2
329.12320	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	329.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	3.0
57.05612	1.8
58.37333	1.8
59.01245	100.0
62.99127	2.0
69.03271	2.6
69.59805	11.3
71.01253	15.1
72.99174	3.6
75.00751	3.8
85.02822	15.0
87.00761	3.4
95.04906	2.8
97.06470	3.6
98.19767	2.2
99.00740	3.0
99.23167	2.2
101.02379	4.4
111.04399	8.1
113.02341	9.4
113.05961	3.3
121.02825	3.2
121.06520	2.1
121.90834	1.8
123.04392	2.7
124.05104	2.8
125.02361	3.0
125.05974	5.7
137.09552	2.3
139.07529	8.9
151.07538	3.8
153.09142	2.4
161.04485	2.6
166.02606	2.3
167.03380	5.3
167.07019	6.8
177.09157	4.9
189.09073	2.4
197.11731	2.5
207.10156	3.9
225.11256	5.6
269.10205	5.9
282.68326	2.1
329.12326	3.6
329.16138	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	329.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28079	1.3
55.01730	3.1
57.03322	12.6
59.01244	12.4
65.21113	1.3
71.01253	9.0
71.51413	1.3
71.51818	1.7
72.99174	2.1
73.02820	1.8
75.00737	2.9
83.01252	3.5
84.02059	2.5
84.08642	1.4
85.02821	100.0
86.03158	1.7
87.00747	2.2
89.02292	4.2
93.03329	3.8
94.27863	1.6
101.02303	3.4
103.68885	1.6
108.02060	2.1
111.00738	4.4
119.03380	1.7
120.47324	1.5
121.02846	8.7
122.03618	8.5
123.04400	10.9
125.02332	8.8
129.01817	10.4
137.02319	5.6
147.02892	16.0
149.02287	4.0
150.05540	3.2
167.03416	7.1
171.85419	1.3
191.01880	19.6
199.39992	1.5
209.01025	2.3
209.02946	36.2
214.48114	1.6
243.16150	2.3
245.18231	1.9
329.08752	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	329.0666
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
50.32531	0.4
59.01247	2.8
64.30824	0.4
64.99902	0.5
65.00189	4.9
66.75826	0.5
69.76300	0.9
69.76717	2.4
86.00792	0.5
94.63039	0.5
98.19796	0.5
108.01966	0.5
109.99950	1.4
125.09558	0.6
133.02826	5.1
135.00729	0.7
136.98697	4.1
139.00281	0.6
139.11163	1.0
143.04958	0.7
147.04391	1.1
149.02525	0.7
155.04907	1.1
159.04382	0.9
163.00294	3.0
164.98157	1.4
165.98946	0.8
166.99757	1.0
171.04387	1.8
171.10159	1.5
175.03918	1.2
183.04407	1.0
185.02364	1.3
187.03987	0.6
199.03949	8.3
200.04227	0.8
201.01764	2.5
203.03423	1.2
211.13297	2.2
214.13080	0.6
215.03410	1.9
227.03413	4.4
229.14310	1.4
230.05882	0.6
240.10995	0.5
241.05008	1.1
243.02888	3.3
255.02988	1.3
257.04568	0.6
271.02469	52.4
272.02774	4.0
284.03241	1.6
285.03934	2.6
299.01959	58.9
300.02203	4.2
313.03494	4.6
314.04297	100.0
315.04581	7.7
328.22247	1.1
329.06641	59.2
329.23203	10.1
330.07004	5.3
330.13608	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73863	0.7
58.00455	1.0
59.01248	8.2
61.98720	0.8
63.46033	0.6
71.01251	1.8
71.52224	0.7
78.90009	0.8
80.73633	0.7
85.02771	0.7
97.06487	1.9
109.06474	0.8
109.44902	0.6
111.08041	8.3
112.08366	4.9
166.02559	1.1
169.12224	2.7
170.12614	2.0
171.10201	1.4
185.11778	1.3
186.12054	1.5
197.11746	15.6
198.12096	28.3
199.13293	2.0
200.13680	3.2
209.11699	1.0
210.12111	1.2
211.13318	1.7
212.13641	1.4
216.12082	0.6
222.12250	1.1
228.13177	0.8
240.13281	1.3
292.19864	3.7
299.01920	0.8
310.21066	3.0
328.08664	1.3
328.22089	100.0
329.13785	2.6
329.17596	1.1
329.22687	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	328.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61140	0.4
54.93456	0.5
57.03322	1.0
59.01242	1.0
68.01976	0.5
69.08581	0.5
70.20520	2.0
71.19212	0.4
76.75039	0.4
97.02821	1.0
98.22827	0.5
107.04905	0.6
115.89790	0.4
116.02122	0.4
122.03596	0.5
130.04170	0.4
133.02876	0.5
138.37784	0.4
145.02875	1.5
147.04422	0.6
157.02953	0.6
158.03638	0.6
158.64040	0.4
159.04419	1.3
160.05153	0.4
169.02902	0.8
171.04427	3.1
173.02325	1.3
174.03123	2.6
181.78786	0.5
183.08063	0.9
186.03160	5.3
187.03920	4.9
188.04594	0.6
191.14284	1.8
197.05980	0.9
197.09653	2.7
198.03125	1.1
199.03922	8.8
200.01106	2.8
200.04251	0.6
201.05544	3.2
209.06058	2.0
210.06685	0.8
211.03989	0.7
213.01883	1.4
213.09196	5.4
214.02586	3.3
214.05846	0.4
214.09674	0.5
215.10738	0.7
215.82230	0.4
216.93127	0.4
218.02127	0.8
219.13893	4.1
225.01784	0.5
225.05577	1.2
225.09160	0.5
226.02733	1.6
226.06236	4.0
227.07057	6.0
238.67302	0.4
240.07864	0.5
241.08655	23.8
242.09427	43.2
243.09863	3.2
246.01543	0.5
253.05031	0.6
253.08844	0.5
254.05731	2.4
269.08173	100.0
270.08521	8.9
274.08459	63.8
275.08859	5.7
285.11221	1.3
285.22067	0.7
311.69855	0.5
313.10770	1.8
328.13129	44.5
329.13489	4.9
329.21027	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	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
58.00462	1.4
59.01248	5.0
69.03307	0.7
70.00195	1.3
71.01238	1.5
71.04891	0.5
71.69807	0.4
72.99146	0.5
83.04907	1.2
85.02835	0.6
85.07394	0.4
97.06465	1.8
99.08049	0.4
101.02264	0.4
109.06451	0.5
111.08035	11.4
112.08359	0.4
123.07994	0.5
125.09575	0.7
125.31843	0.4
127.07539	0.7
127.11229	0.6
135.22920	0.4
139.07501	0.4
153.12709	1.4
155.10764	0.4
169.12247	6.2
171.10149	1.6
177.12746	0.7
179.10609	0.4
181.12250	1.2
185.11752	3.5
193.12292	0.5
197.11754	45.3
198.12064	1.8
199.13324	6.2
200.13419	0.5
201.11290	0.9
203.10385	0.4
209.11765	2.3
211.13281	3.6
221.11826	1.6
227.12898	0.9
229.14386	0.5
239.12891	1.6
263.20120	1.3
269.17938	0.4
291.19635	3.9
292.19824	0.5
309.20673	3.2
310.21182	0.4
327.21738	100.0
328.11850	0.5
328.22089	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	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70972	0.2
57.03323	0.7
58.00460	1.4
59.00962	0.3
59.01247	4.3
59.48265	0.3
64.41202	0.3
66.08722	0.3
69.03329	0.7
69.42149	2.0
71.01258	0.7
72.99190	0.4
73.02801	0.3
81.03352	0.3
82.53028	0.2
83.04884	0.8
84.02016	0.3
84.96687	0.2
85.02820	0.4
87.04390	0.4
89.02318	0.4
89.82172	0.2
97.06471	2.2
109.06506	0.4
111.08039	8.3
113.02278	0.3
119.03435	0.3
125.09605	0.5
127.07552	1.3
137.09581	1.1
151.11186	0.5
153.09135	0.4
153.12756	1.1
155.10657	0.5
165.05501	0.4
165.07643	0.3
167.14403	0.4
169.12253	5.5
170.12642	0.3
171.10165	3.1
179.10684	0.5
181.12280	2.2
183.13824	0.7
185.11751	0.7
193.12209	0.6
197.11768	44.3
198.12132	2.4
199.13336	7.5
209.11780	0.4
211.13359	5.4
212.13612	0.3
221.11749	0.6
227.12828	1.2
229.14331	1.0
239.12909	0.3
239.16522	0.9
261.98434	0.3
263.20285	0.5
273.18689	0.5
291.19711	3.1
292.19659	0.3
309.20737	3.5
327.21753	100.0
328.08575	0.3
328.22089	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	327.2173
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
52.94410	0.6
52.96497	0.7
56.99862	0.7
57.03314	1.7
58.00459	1.7
59.01236	2.8
69.30123	1.6
69.30526	5.9
71.01250	1.2
85.02819	3.9
97.06438	2.4
114.20142	0.7
115.07513	1.0
127.11209	0.9
130.33296	0.7
137.09578	1.6
153.12717	1.4
155.14343	4.3
156.26149	0.8
165.07596	1.1
171.10161	6.1
183.13773	6.8
185.11769	0.8
197.11780	3.8
199.13281	6.4
211.13409	5.9
214.79645	0.8
227.12877	5.3
229.14394	100.0
230.14833	4.6
241.27521	0.8
263.79535	0.7
291.19629	2.4
309.20743	11.9
310.20963	1.0
327.12665	1.9
327.16019	1.9
327.21719	25.9
327.24774	1.0
328.22125	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	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
54.41763	0.3
57.03321	2.6
58.00465	0.4
69.03318	1.4
71.01247	0.6
71.39217	0.6
71.39548	0.5
83.04890	0.6
83.36005	0.4
85.02824	7.2
88.58789	0.4
95.04849	0.8
97.02818	1.2
97.06475	3.8
125.09602	1.3
127.11174	1.7
137.09610	2.0
151.93585	0.4
155.10750	0.9
155.14307	0.9
165.12744	1.2
167.14169	0.4
171.10170	17.9
172.10545	1.2
177.12769	0.9
183.13849	3.6
185.11729	0.9
193.12277	1.2
196.61453	0.4
197.11804	0.7
201.11263	0.8
203.10658	0.5
209.11725	1.3
211.13330	17.4
212.13673	1.2
221.11725	2.6
229.14389	11.6
230.14632	0.8
239.12796	1.9
247.20804	0.4
262.86386	0.4
291.19659	3.3
308.97079	0.4
309.20734	1.1
327.21741	100.0
328.22095	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	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.8
57.03322	3.5
57.70143	0.5
59.01228	0.6
69.03334	2.9
71.01267	0.8
71.08054	1.1
83.04904	1.5
84.02022	0.9
85.02817	13.5
91.31477	0.5
95.04921	0.8
97.02821	2.1
97.06469	4.5
101.39649	0.4
102.43880	0.5
117.80758	0.4
119.08560	1.1
125.09612	1.8
127.11204	2.7
137.09619	4.4
155.10641	1.3
155.14244	0.5
165.12715	0.8
167.14207	1.1
171.10172	31.4
172.10521	1.3
177.12698	1.1
183.13821	5.2
185.11804	1.1
193.12236	1.5
197.11838	0.8
201.11240	1.6
209.11728	1.8
211.13330	20.8
212.13725	0.8
221.11775	3.7
229.14391	11.7
239.12868	1.5
291.19620	3.2
309.20667	1.0
312.59634	0.5
327.21735	100.0
328.22076	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	327.2174
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
52.15261	0.4
58.00457	2.0
59.01247	3.2
62.57422	0.4
63.29061	0.4
69.03299	0.6
70.61719	1.4
85.02867	0.5
97.06483	1.6
106.51008	0.4
109.06490	1.0
111.08035	8.1
122.49202	0.4
123.08028	0.4
127.07574	0.7
153.12750	0.8
169.12251	4.8
179.14279	0.5
181.12270	2.0
183.13847	0.6
190.47963	0.4
193.12294	0.6
197.11757	41.7
198.12134	2.6
199.13326	7.4
202.25490	0.4
211.13347	6.1
221.11613	0.7
226.84467	0.4
227.12871	0.8
229.14426	0.9
239.12979	0.7
239.16600	2.0
263.19916	0.5
291.19659	3.5
309.20532	2.6
327.21744	100.0
328.22089	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	327.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	6.9
58.45126	2.6
59.01247	50.3
62.55788	2.8
62.63082	3.2
68.63859	3.1
74.31335	2.9
83.04893	9.2
93.03340	10.7
97.06447	3.8
98.19812	9.1
119.04908	49.8
120.05278	2.6
145.06418	3.7
163.03874	22.0
163.11212	5.3
168.06268	3.2
179.14308	4.2
193.54489	2.8
195.13847	22.2
223.13365	30.7
224.13559	4.4
237.09164	9.0
239.10765	6.0
241.14406	100.0
242.14716	12.6
257.13834	6.7
265.08456	4.1
283.09686	14.5
283.15497	10.5
285.15387	6.8
327.08658	35.6
327.12381	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	327.0869
Annotation	Garvin C
Peak:m/z	Relative Intensity
57.03306	0.3
59.01239	1.5
69.55370	1.1
69.55780	0.7
71.01246	1.7
72.99191	0.4
80.02518	1.0
83.01246	0.7
85.02810	1.6
93.02768	0.4
93.03328	6.8
94.03633	0.3
95.40297	0.2
96.24415	0.2
99.00710	0.3
103.03858	0.4
107.04915	0.3
108.01983	0.3
111.00726	0.6
117.03306	0.3
119.04914	27.5
120.05231	1.2
121.02837	6.8
129.01797	0.6
131.04881	1.1
132.05687	1.8
133.01317	0.4
133.02823	0.3
133.06447	0.6
143.03409	0.4
143.03740	0.5
143.04916	3.8
144.05228	0.3
145.06493	3.3
161.05962	0.4
163.03914	10.8
164.04201	0.3
169.06470	0.4
171.07976	0.4
176.04668	0.8
177.05449	0.4
181.06505	0.8
182.07298	0.6
189.05537	0.5
193.06418	0.3
195.04443	2.3
195.08064	0.8
197.06068	0.7
197.09703	0.5
209.06032	2.0
210.06757	0.7
211.07608	2.4
221.09587	0.8
222.06842	1.4
223.07510	1.5
224.08263	1.0
235.07585	2.0
236.08080	0.6
237.09155	15.1
238.09557	1.7
239.10698	5.4
240.11163	0.4
265.08688	0.7
283.09735	37.8
284.10074	3.9
308.63513	0.3
309.86948	0.3
327.08713	100.0
328.09048	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	327.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.6
57.03321	12.0
59.01249	100.0
66.48870	1.5
69.03312	2.4
69.17405	17.3
71.00849	2.2
71.01251	51.6
72.99170	8.4
73.02818	55.6
75.00719	5.0
81.03315	4.9
83.01253	23.7
85.02823	70.3
87.00758	1.4
89.02299	8.6
93.03328	7.3
95.01257	2.2
97.02840	1.5
99.00749	7.9
101.02325	46.2
102.02709	1.6
111.00751	12.5
113.02332	14.8
113.03024	2.1
113.64838	1.7
119.03416	3.3
119.04926	19.5
121.02837	15.9
123.04347	2.8
125.02344	19.8
129.01831	20.3
131.03384	5.1
140.31956	1.4
140.91083	1.5
143.03444	7.7
143.04893	6.8
145.02907	1.7
147.02896	1.6
149.02368	1.7
149.04407	5.0
158.52115	1.4
161.04480	11.2
163.03958	10.8
167.03596	1.6
167.53780	1.6
191.01889	1.8
203.05464	2.2
205.03474	22.3
221.06610	1.6
237.09138	6.5
265.08755	4.9
283.09866	7.2
327.08676	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	327.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.7
57.03323	8.1
58.00464	1.1
59.01249	100.0
64.42636	1.2
67.08526	1.0
69.03326	2.9
71.01253	46.8
71.09556	2.7
71.09933	1.4
72.60793	1.2
72.99155	5.6
73.02814	54.5
73.54189	1.0
75.00747	2.0
75.44398	1.1
81.03329	4.3
83.01253	17.6
84.02016	1.9
85.02821	59.7
86.63558	1.1
89.02320	6.5
92.56036	1.1
93.03343	6.0
99.00761	5.0
101.02323	44.8
111.00749	10.1
113.02324	16.6
119.03428	2.9
119.04900	16.0
121.02834	10.2
123.04404	2.9
125.02332	12.1
129.01837	11.7
131.03406	4.6
133.02760	1.8
133.06538	1.4
143.03372	4.3
143.04918	5.2
149.04431	3.9
155.03436	1.5
161.04451	10.3
163.03873	9.4
203.05492	1.6
205.03464	19.6
211.07501	2.3
221.06505	2.5
237.09166	4.5
265.08655	4.8
283.09756	5.0
304.89081	1.3
327.08640	21.9
328.08890	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0872
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
53.18743	1.1
56.19188	1.3
57.41306	1.1
62.06285	1.0
69.53246	8.3
92.69673	1.1
93.03329	30.7
96.99186	5.2
98.24243	1.3
108.02041	1.7
109.02806	1.5
117.03305	2.4
119.04910	91.0
120.05262	3.3
121.02827	1.2
123.04377	3.4
131.04880	6.9
132.05579	1.6
133.02863	5.7
143.04916	23.4
144.05220	1.7
145.02843	3.4
145.06444	1.4
147.04532	1.5
163.03906	48.1
164.04239	1.7
171.04428	3.2
172.14467	1.4
177.55458	1.2
211.07559	9.5
221.09663	2.7
222.06630	1.3
223.07764	1.3
230.54037	1.2
235.07607	3.8
237.09146	10.3
239.10847	1.5
265.08633	19.7
266.09045	2.4
283.09772	17.0
284.80856	1.2
309.07706	5.7
327.08737	100.0
328.09024	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0869
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
50.67534	0.9
59.01237	1.6
62.28193	0.9
65.17814	0.8
68.99644	0.9
69.81522	3.4
73.80337	1.0
83.71516	0.9
93.03326	36.5
94.03672	1.1
96.99204	4.7
97.47870	1.0
98.20506	1.8
106.66158	0.9
116.15433	1.0
117.03330	4.7
119.04912	100.0
120.05247	4.1
121.02834	4.2
123.04406	4.7
130.04132	4.3
130.04985	0.9
131.04930	8.0
132.05757	1.4
133.02872	8.3
143.04916	32.3
145.02834	3.1
145.06464	4.2
163.03908	38.6
164.04239	1.3
171.04407	4.8
195.04489	1.2
199.46812	1.2
210.06671	1.4
211.07576	7.0
219.08031	2.0
221.09628	1.1
222.06717	2.4
223.07591	2.5
231.54311	1.1
235.07579	10.5
235.46687	1.0
236.08063	1.4
237.09171	19.7
238.09517	2.1
239.10663	4.5
265.08664	32.1
266.09103	2.4
283.09695	14.1
309.07712	12.8
310.07932	1.4
327.08716	81.1
328.09055	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	327.0872
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
59.01245	1.3
70.09966	4.9
72.46422	1.0
93.03332	41.7
96.99184	11.3
99.52805	1.0
102.29268	1.2
108.01937	1.1
117.03341	4.5
119.04906	42.0
121.02842	1.5
123.04379	4.7
130.04124	2.4
131.04918	11.1
133.02846	8.0
143.04915	32.9
144.05278	2.1
145.02861	6.2
145.06497	1.8
159.04378	1.3
163.03902	16.2
171.04462	3.0
177.32521	1.1
187.66414	1.1
195.08066	1.1
202.27147	1.0
211.07556	13.0
219.08078	2.4
221.09657	2.5
221.97470	1.1
222.06813	1.6
223.07620	2.9
233.07004	1.1
235.07578	6.8
237.09192	13.1
239.10657	2.1
247.07545	1.8
255.79861	1.2
264.07721	1.5
265.08707	27.0
266.09064	2.4
283.09787	5.0
309.07651	7.4
327.08707	100.0
328.09058	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	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	6.8
57.03326	23.9
59.01237	6.7
60.44920	1.8
66.63783	1.3
69.03294	1.8
69.47993	11.1
71.01249	9.9
72.99176	14.2
73.02823	4.7
75.00741	5.1
81.03324	15.0
83.01283	10.6
84.02052	2.9
85.02822	100.0
86.03163	2.1
99.00742	13.9
101.02341	5.8
101.51473	1.5
111.00766	21.2
111.85851	1.9
113.02335	4.6
119.04879	2.8
119.70965	1.6
121.02842	19.2
122.12819	1.8
123.04400	6.4
125.02321	32.0
129.01837	33.7
131.03368	2.1
143.03374	4.3
161.04515	3.7
163.03857	1.8
174.27989	1.5
205.03481	45.6
226.27226	1.5
237.65135	1.7
294.36404	1.6
327.08206	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	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35930	0.7
55.01753	4.2
57.03321	17.1
59.01254	3.4
60.59096	0.7
67.01756	1.6
68.99711	0.8
71.01262	6.4
71.29433	1.5
72.99174	3.1
73.02813	1.9
75.00729	1.7
81.03333	0.8
83.01258	9.7
84.02038	2.8
85.02820	100.0
86.03161	1.9
93.03337	0.7
99.00765	2.2
101.02332	5.6
111.00760	22.5
119.04873	0.8
121.02837	19.6
125.02340	2.1
129.01825	42.0
130.02187	0.7
133.01337	0.7
143.03409	0.7
147.02916	1.3
147.04341	0.8
156.61584	0.7
161.04466	2.5
165.05458	1.7
175.07758	0.9
177.03967	1.1
187.02405	1.0
189.05524	0.9
191.01920	3.1
194.61635	0.7
205.03465	16.7
209.02954	6.1
229.76579	0.7
327.07629	2.3
337.14124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45067	0.7
55.01752	1.9
56.10711	0.8
57.03324	1.7
58.00482	0.8
59.01247	11.2
59.41694	0.7
69.02961	0.6
69.03323	3.4
71.01251	9.7
71.51341	1.0
72.99178	26.5
75.00754	5.4
81.03328	37.6
82.03671	0.9
83.01265	1.3
85.02823	11.3
87.00748	2.6
89.02316	6.6
97.02834	2.4
99.00753	18.4
99.01362	1.5
101.02336	5.2
111.00751	0.8
113.02328	7.2
115.03857	1.1
117.01812	3.4
119.03389	2.7
121.02856	9.5
125.02336	100.0
126.02678	2.4
129.01839	2.6
131.03392	2.5
143.03398	17.2
147.02820	0.9
157.24158	0.8
159.02863	0.9
161.04434	7.5
165.07645	4.2
169.01331	1.9
179.05524	1.8
181.29272	0.7
187.02438	0.8
195.03201	0.7
205.03473	60.7
206.03804	2.7
209.02913	1.9
214.04427	0.7
221.48877	0.7
267.10846	1.2
268.26001	0.8
301.83115	0.8
327.06998	0.8
327.09570	1.0
327.12863	4.7
327.21417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93099	1.3
55.01759	2.9
57.03320	16.5
59.01251	5.5
71.01255	6.6
71.09895	2.8
72.99183	2.6
73.02814	2.0
75.00770	1.4
76.42916	1.3
83.01270	6.9
84.02058	3.8
84.54534	1.3
85.02818	100.0
86.03165	2.9
89.02338	2.1
97.49440	1.3
99.00755	3.0
101.02321	6.3
111.00755	19.3
121.02843	19.2
122.03684	1.3
125.02361	2.3
129.01826	38.6
145.56479	1.3
161.04437	2.9
178.77908	1.7
191.01875	4.8
205.03459	15.6
209.02971	6.5
209.14857	1.5
223.42361	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2171
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
50.01593	1.0
59.01245	3.9
71.09449	1.3
71.09785	1.4
101.02376	1.0
108.37418	1.1
149.09612	91.2
150.09961	4.2
160.75134	1.0
163.11185	100.0
164.11540	4.5
170.00340	1.3
183.01118	41.3
184.01814	4.3
193.07149	2.1
197.02658	2.6
216.00954	3.0
287.69589	1.2
307.26370	1.6
325.18326	66.0
325.21729	83.5
325.27573	4.4
326.18668	7.4
326.22107	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	325.2019
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
51.08765	2.0
57.03306	4.0
58.00460	5.3
59.01244	27.8
69.03339	2.7
69.21524	13.5
69.21925	4.3
71.01260	15.8
71.04880	2.8
72.99177	2.0
73.02807	6.0
77.75847	2.0
79.91319	1.8
80.02521	3.4
83.01251	3.0
83.04867	3.5
84.02038	5.0
85.02818	4.1
93.06963	2.3
95.01320	1.7
97.06451	4.9
101.02288	3.6
105.06979	3.2
106.04115	2.6
106.17032	1.8
109.06466	6.5
110.72916	1.8
111.08044	49.7
119.04862	2.5
123.04413	2.2
123.08052	24.5
125.09609	6.0
127.11191	9.3
135.08081	10.1
137.09599	3.3
139.11247	3.8
151.11194	2.8
153.09111	8.4
155.10683	15.7
157.12314	3.0
163.11230	5.1
165.09239	2.4
165.12746	2.5
167.10698	10.7
169.12265	7.0
171.10181	82.1
172.10468	3.1
183.01163	5.5
183.10228	9.2
185.11755	59.3
193.07083	5.2
195.10184	8.0
197.11761	24.7
199.09549	2.3
201.11259	78.1
202.11662	3.1
207.10301	3.2
209.11807	7.1
211.13429	2.4
213.11253	28.9
215.12808	3.9
225.11278	2.7
227.12862	4.9
245.19020	5.4
289.17960	14.9
300.23456	2.1
307.19086	9.7
325.09259	2.6
325.20190	100.0
326.10382	3.2
326.20557	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67820	1.6
57.03325	9.0
59.01247	41.1
65.03436	1.7
69.03324	5.9
71.01249	10.4
71.04881	6.7
73.02812	3.6
74.69949	1.6
75.44753	1.9
79.05400	3.2
80.02548	2.0
81.03338	3.6
83.01237	1.6
83.04899	14.4
84.02045	7.9
85.02828	6.5
85.06458	2.2
87.04400	2.4
88.38697	1.7
95.04905	4.8
97.02832	2.6
97.06452	13.7
97.44697	1.8
98.20600	2.7
99.08057	2.2
101.02311	5.0
107.04883	2.5
109.06491	6.2
111.04364	2.7
111.08037	4.1
113.02304	2.5
113.05969	3.1
115.07514	2.8
119.04911	2.6
121.02818	1.9
121.06479	2.4
123.04423	2.4
123.08021	6.0
125.05883	2.2
125.09604	10.9
127.07517	12.8
135.08037	6.0
135.33356	1.4
137.09576	3.5
139.07526	3.6
153.09132	18.3
155.10672	4.5
161.04489	3.2
163.06108	2.5
163.11201	4.9
165.12755	3.9
171.10176	39.3
172.10486	1.8
181.12183	4.1
183.01160	4.0
185.11745	20.7
191.14362	3.6
193.07124	9.3
193.12334	5.5
193.15977	2.1
197.11768	17.1
201.11281	5.6
207.10219	2.4
209.11761	73.1
210.12151	3.1
211.13354	11.3
219.13692	2.4
227.12976	4.7
229.16829	2.0
229.23096	1.8
233.11488	1.8
235.13292	3.9
237.14917	6.6
238.12048	5.4
245.19101	5.4
249.14944	10.4
272.01495	2.0
289.18039	19.6
307.19150	72.6
308.19550	5.6
325.11304	6.6
325.20200	100.0
326.20407	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.8
58.00458	5.4
59.01246	9.7
69.76926	3.9
69.77342	2.5
71.01257	3.0
73.02791	2.0
75.45658	1.2
79.55518	1.1
84.02002	1.5
89.02316	1.8
95.04889	2.9
97.06464	5.0
98.19883	2.1
99.08054	1.8
101.02305	2.5
113.05970	5.1
115.07517	9.5
124.03946	1.1
125.09675	2.2
127.07540	9.7
139.19934	1.1
151.11174	16.4
153.12753	15.6
155.10657	1.5
155.14317	2.8
165.12781	3.2
169.12207	2.3
171.10176	4.2
171.13808	2.2
181.12247	3.4
183.01152	4.8
183.13789	4.9
193.07042	3.6
197.11688	19.8
199.13316	36.3
200.13658	1.8
201.11320	2.7
209.11766	9.4
211.13353	2.7
215.12822	26.1
227.12827	100.0
228.13107	7.0
229.14388	56.1
230.14691	2.4
245.18887	1.7
263.20160	4.7
269.21301	2.2
269.84674	1.3
281.21146	2.9
289.18069	4.8
297.20648	4.3
307.19110	19.4
325.11142	3.1
325.14685	4.0
325.20575	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	325.2019
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
52.36585	0.8
57.01451	0.9
57.01736	0.9
57.03318	2.2
58.00468	4.7
59.01247	9.1
65.91090	0.9
69.03318	0.9
69.67196	6.1
71.01237	2.6
73.02799	1.7
75.96964	0.9
83.04906	1.7
85.02833	1.3
95.04886	1.8
97.02833	1.1
97.06458	4.1
98.19839	1.1
99.00750	0.9
101.02343	1.7
109.06484	0.9
111.04405	1.1
111.08028	0.9
113.05941	1.9
115.07522	1.9
123.08096	1.4
125.09594	3.6
127.07520	3.2
130.08597	2.5
135.08038	1.3
137.09573	0.9
141.09096	2.1
151.11214	5.4
151.35226	0.8
153.09117	1.2
153.12778	4.6
155.10606	1.4
163.11092	1.3
165.12727	3.1
169.12250	1.9
171.10201	3.8
171.13780	1.4
179.10614	0.9
181.12257	3.7
183.01057	1.9
185.11641	0.9
191.10516	0.9
193.07071	2.9
197.11752	10.6
199.11464	1.7
199.13338	33.1
200.13667	1.7
201.11189	3.1
209.11746	7.9
215.12836	8.1
227.12837	100.0
228.13184	5.0
229.14409	16.6
233.48273	0.9
235.13264	0.9
245.19038	2.4
263.20016	1.4
270.04047	1.1
287.16611	0.9
289.17993	3.2
297.20850	1.4
307.19150	14.5
325.11285	1.8
325.14706	3.3
325.20218	19.3
326.23303	1.4
338.12970	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03322	9.7
58.00451	1.5
59.01244	10.6
69.03316	3.4
70.50431	1.4
70.50771	2.8
71.01253	5.7
71.04893	9.5
72.99197	1.9
73.02819	2.3
80.02522	2.3
81.03348	2.3
83.04888	5.9
85.02831	2.5
85.06457	4.0
87.04382	4.7
91.05399	2.4
92.46494	1.2
93.03340	1.7
93.07674	1.1
95.04896	2.5
97.02833	6.4
97.06451	6.2
101.02348	2.1
101.83102	1.5
107.04907	3.1
109.06468	35.9
110.06811	1.1
111.08011	1.2
113.05968	1.4
115.07568	1.4
125.05956	3.6
127.07531	3.9
132.04446	1.2
135.84715	1.2
136.07616	1.7
137.09589	1.7
149.09724	1.5
151.11205	2.5
163.11137	1.8
167.10529	1.2
169.12224	10.2
171.10133	1.9
179.35472	1.0
181.12299	6.8
183.13864	4.3
193.07066	2.7
193.12227	3.6
197.11755	72.7
198.12035	3.5
199.13339	6.9
209.11740	2.0
211.13321	44.6
212.13690	2.1
219.13908	2.9
223.13295	1.5
227.12843	4.1
231.13759	1.3
235.13338	6.1
237.14809	7.9
249.14893	5.0
289.18103	5.8
307.19122	5.5
325.11972	2.5
325.20163	100.0
326.20560	10.2
349.26929	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97246	4.0
56.83571	3.7
57.03317	4.2
57.09382	3.8
57.20596	4.2
59.01249	40.5
61.98701	4.7
63.74895	4.4
67.83727	4.1
69.03310	5.6
69.16556	4.3
71.01227	10.9
71.07918	12.7
81.03295	4.9
83.01283	7.6
83.04881	7.7
95.04909	7.1
97.02824	7.3
97.06467	10.7
101.02318	11.9
123.04378	7.3
123.08036	6.1
125.09614	35.2
137.09647	10.0
152.24969	5.4
161.04486	11.7
163.11208	8.9
167.10684	15.8
171.10147	6.4
183.01117	4.7
185.11786	13.1
193.07126	24.1
203.30669	4.6
207.10147	10.7
209.11696	23.6
223.06049	5.5
225.51027	4.8
237.11508	4.7
245.19078	6.6
255.04816	4.8
266.04532	19.7
267.04901	74.6
267.50235	4.4
273.84070	4.3
289.18054	11.7
307.18961	28.1
310.10410	56.2
311.10538	4.9
325.12772	100.0
325.20383	10.0
325.23785	9.1
326.12952	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	325.2018
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
51.09854	1.7
57.03310	4.7
59.01249	22.6
71.00111	2.3
71.01241	7.3
71.32211	1.9
71.32568	4.8
73.02806	2.3
80.02542	5.9
83.01240	2.1
83.04919	2.2
84.02032	3.8
85.02820	4.5
97.06478	9.6
101.02316	6.4
113.02320	3.3
123.08025	5.6
125.09615	72.2
127.11153	3.1
134.05981	3.7
135.08096	2.2
137.09612	37.2
138.10017	2.5
151.07507	2.5
153.09125	27.9
155.10657	8.5
161.04483	2.6
163.06113	2.6
169.08713	2.4
171.10196	25.0
183.01164	6.5
187.09628	2.8
193.07123	8.5
209.11786	6.0
227.12796	3.2
237.14981	2.1
250.94099	2.3
252.43333	2.1
279.19568	3.4
281.21484	2.6
289.18088	10.1
307.19125	100.0
308.19434	6.0
325.11859	3.7
325.19943	18.8
325.23761	4.3
326.20313	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	325.2018
Annotation	Plakortenone
Peak:m/z	Relative Intensity
57.28444	0.7
58.03217	0.7
59.01113	3.9
59.01449	2.0
69.22650	8.2
70.18528	0.7
71.01122	1.9
71.58544	0.6
73.02720	1.5
79.55170	0.7
84.94098	0.7
85.02715	1.5
86.92076	0.7
87.00586	0.7
89.02192	0.8
97.06344	1.2
98.20527	1.2
101.02148	2.5
121.02676	3.8
122.03568	3.9
123.04282	0.7
135.04263	0.8
136.05031	2.2
139.10974	0.9
145.31111	0.9
154.93784	0.7
163.05925	1.2
164.08234	1.4
165.12692	0.9
167.14307	6.2
183.01042	1.3
193.07138	3.8
193.15889	3.5
207.17450	3.8
209.11623	1.0
212.64101	0.7
231.17555	1.9
233.15443	1.1
247.17076	1.7
249.18564	34.4
250.18900	2.8
263.19955	0.8
264.05585	0.7
271.42862	0.7
272.73959	0.8
275.16522	21.7
276.16885	1.6
281.21304	7.0
293.17593	100.0
294.17883	7.5
307.19208	5.9
307.22409	1.2
325.11871	3.8
325.20245	74.7
325.23672	4.9
326.20584	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	325.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00431	1.3
59.01228	2.4
69.03312	1.5
69.48985	7.1
71.01235	4.7
72.25996	0.8
73.02802	0.9
74.67835	1.0
80.02553	1.5
81.03329	2.5
83.04906	5.6
84.02030	3.4
85.02823	2.0
86.90707	0.9
88.11086	0.8
89.46978	0.8
95.04913	1.4
97.02872	1.1
97.06449	1.8
98.19815	2.0
99.08009	2.7
109.06463	1.7
111.08027	1.0
113.06062	0.9
115.07511	1.4
118.85713	0.8
125.05959	0.8
125.09570	3.0
127.07543	14.8
131.01219	0.9
139.07527	3.8
155.10677	2.6
163.11160	4.8
165.12733	2.5
178.09976	2.3
181.12231	1.4
185.11752	15.3
186.12035	1.0
191.10648	1.5
193.07225	1.0
197.11751	15.6
207.10094	1.3
209.11758	100.0
210.12149	4.4
227.12770	4.4
236.10460	1.3
238.11963	5.9
239.16644	1.0
245.19014	1.9
256.13113	2.5
279.19589	1.2
289.18109	5.7
307.19119	80.8
308.19415	7.0
325.11304	1.2
325.20175	31.2
326.20547	3.4
343.14633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	38.0
59.00961	4.7
59.01248	93.5
71.01244	14.3
71.19035	4.2
71.19344	6.2
71.62015	3.8
73.02805	6.7
75.00741	7.7
83.04903	30.0
85.02814	9.6
87.00742	7.1
87.04382	82.2
89.02314	6.7
95.04814	4.3
95.27356	4.0
96.95881	6.7
97.06433	15.4
101.02306	11.0
103.03880	10.7
113.02295	9.7
113.05898	8.5
119.04878	7.1
121.02836	38.4
123.08009	5.8
124.08320	4.6
136.01584	7.4
137.09581	21.3
139.07509	4.4
147.04448	3.9
149.02361	6.0
149.09613	5.7
150.03099	9.0
151.03860	10.7
153.09099	8.0
163.03951	8.4
165.05432	4.8
165.12712	9.4
175.03871	15.2
177.12602	5.6
178.13124	4.0
179.05560	5.1
183.01108	15.5
186.15323	4.2
190.02484	4.4
192.07808	3.8
193.07057	5.8
195.13843	24.1
205.04929	6.6
220.06558	8.4
235.06073	5.3
237.14874	83.4
238.15245	4.9
239.12720	7.5
239.14781	5.5
245.08160	14.7
256.03394	6.4
265.09299	8.1
269.04282	5.7
270.04855	16.9
271.39490	3.9
283.17505	7.3
325.11319	6.4
325.18365	100.0
326.18768	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	325.0927
Annotation	CHEBI:76093
Peak:m/z	Relative Intensity
52.61393	1.8
57.03315	2.4
59.01250	25.4
69.22639	14.5
69.23055	5.1
70.10665	2.2
71.01255	12.3
71.04901	3.4
72.99175	7.7
73.02827	12.8
75.00745	34.5
81.03328	5.4
82.99483	8.7
84.52312	1.8
85.02818	4.3
87.00724	4.8
93.03314	3.8
99.00745	3.2
99.04375	6.4
101.02325	4.0
110.82880	1.9
113.02278	2.9
116.37269	1.7
119.04916	64.4
120.05274	3.5
121.02847	57.3
126.98491	13.1
135.04414	8.5
142.51872	1.8
143.03433	11.8
147.04453	4.8
148.89796	2.1
149.02240	2.1
153.09087	5.2
161.04480	16.4
163.03928	96.9
164.04260	3.2
175.03819	5.0
179.05540	100.0
180.05855	3.5
183.01115	2.9
193.04962	4.2
193.07080	3.0
205.05107	2.6
221.08244	2.2
237.09357	9.0
274.27161	2.4
279.68814	2.3
281.08539	7.4
325.09189	9.6
325.18317	6.2
340.21277	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	33.9
59.01250	100.0
71.01237	18.0
71.52561	7.6
73.02796	8.5
83.04886	34.7
85.02852	8.1
87.04385	65.8
97.06451	23.8
101.02309	14.1
107.04926	6.6
113.05921	14.4
114.09113	6.0
117.58699	7.9
121.02819	33.8
123.08036	7.5
124.08398	6.3
137.09590	17.8
149.09567	7.0
153.09090	10.7
163.03920	11.5
165.12648	10.2
177.12793	7.3
179.05530	10.0
193.07034	5.8
195.13878	30.2
222.10252	5.2
237.14925	71.6
239.14932	5.8
270.04724	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	324.1237
Annotation	Oriciacridone E
Peak:m/z	Relative Intensity
54.47615	0.3
55.29982	0.3
59.01242	2.6
69.19887	3.7
71.01251	0.5
71.99609	0.4
85.02792	0.6
89.23605	0.3
93.21404	0.3
98.19949	1.3
101.02309	0.7
125.09487	0.4
138.42372	0.4
149.69931	0.4
182.05968	0.5
192.60440	0.4
193.07060	0.5
194.06012	1.2
210.05463	0.5
212.03447	1.5
222.05554	5.3
222.09055	0.4
223.06018	0.5
225.04243	0.9
226.05048	2.0
238.05058	6.5
240.02916	2.0
241.03712	1.1
250.08791	0.4
253.03819	2.6
254.04536	9.0
255.05112	1.0
265.03769	3.6
266.04553	99.2
267.04886	6.0
268.06161	1.0
276.06851	0.4
277.31586	0.4
280.06064	1.2
281.06723	0.6
292.09723	0.5
293.06967	0.7
294.07712	4.9
307.19186	0.6
308.09244	2.9
309.10037	65.6
310.10339	6.0
324.12372	100.0
325.12717	9.4
341.08939	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1238
Annotation	Oriciacridone E
Peak:m/z	Relative Intensity
59.01241	0.3
69.82100	0.6
69.82500	0.4
78.75629	0.2
85.09834	0.2
111.33521	0.2
117.76115	0.2
121.02814	0.5
138.22197	0.2
178.06621	0.4
194.06029	1.5
210.05457	0.3
212.03499	0.3
213.04330	1.1
222.05511	1.9
223.05879	0.3
224.03673	0.2
226.05006	0.3
238.05060	1.0
241.03755	9.3
242.03999	0.5
248.07057	0.2
254.04544	16.8
255.05025	1.3
265.03778	0.7
266.04550	100.0
267.04883	6.7
278.04562	0.2
279.05276	0.3
280.06082	0.2
281.06448	0.2
294.07733	2.6
308.09274	1.3
309.10031	14.2
310.10425	1.4
324.12369	32.5
325.12708	3.0
325.20139	0.2
341.08856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
50.80074	2.5
53.28667	2.1
54.48433	2.4
55.75441	2.4
57.03311	2.9
57.17167	2.1
58.99475	8.9
59.00953	3.9
59.01249	64.0
61.41388	2.1
69.03342	4.1
69.88715	2.5
70.44817	8.0
71.01257	18.0
73.02798	2.1
83.01256	2.6
83.04890	2.8
85.02811	4.9
87.00787	2.7
89.02331	6.8
97.02808	2.7
97.06473	3.1
101.02322	6.3
107.65268	2.2
109.06438	2.9
111.08055	5.8
113.02335	6.3
113.09612	4.5
119.03371	3.2
119.08595	3.1
120.99525	3.7
121.06438	2.3
123.08081	3.4
124.19379	1.9
125.09610	8.0
133.11998	2.2
139.11235	2.8
151.11201	5.0
153.12773	2.9
161.04449	8.1
163.11177	3.5
165.12767	2.7
171.10190	14.0
181.12271	4.6
191.10751	2.9
193.12233	3.2
197.11786	39.3
198.12102	2.4
207.13916	2.6
209.11937	2.7
213.15027	5.3
220.14632	19.4
221.15370	7.1
223.13402	2.8
225.14992	2.6
231.17416	2.8
235.15224	95.3
236.15514	8.0
239.12816	3.6
241.14427	2.7
266.04587	2.8
267.04868	7.0
273.18533	8.8
279.23154	3.8
291.19653	42.9
292.20004	4.1
293.06635	2.5
305.21237	18.3
307.07895	3.7
308.08948	6.6
308.19693	2.7
323.11206	14.0
323.16882	53.0
323.22260	100.0
323.25784	7.3
324.16971	3.3
324.22504	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
50.30690	0.4
53.15472	0.5
57.41248	0.4
58.19265	0.4
59.00985	0.6
59.01308	8.3
70.00142	1.7
71.01328	2.5
80.02602	0.5
83.01311	0.4
83.04968	0.5
85.02880	0.9
87.00780	0.7
89.02393	1.3
89.90813	0.4
101.02412	1.5
113.02338	2.1
123.04441	1.0
130.45023	0.4
137.06064	1.6
137.09666	0.9
139.11244	0.6
156.04202	0.9
161.04506	1.0
163.11288	0.5
165.09100	2.0
165.12834	1.5
167.14403	0.4
186.61772	0.4
207.13852	0.5
212.81421	0.4
217.15953	1.2
233.23219	0.5
235.13280	0.6
235.15282	2.4
237.14919	0.6
261.22128	4.1
266.04544	0.5
267.04919	0.8
287.20135	0.8
291.19601	2.8
305.21201	100.0
306.21524	8.2
307.07950	0.5
308.19974	0.6
323.10889	1.7
323.17130	0.8
323.22232	24.2
324.22574	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	323.1862
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.46433	2.1
55.01758	4.2
57.03321	15.0
57.25615	2.0
59.01247	43.2
61.98697	3.2
67.01734	2.5
69.03319	4.9
71.01243	11.4
71.04891	14.2
71.52161	2.3
71.52533	2.1
72.56736	1.9
73.02821	3.8
80.02549	3.2
81.03346	7.6
82.54429	2.1
83.01263	17.2
83.04896	11.0
84.02063	2.8
85.02838	6.4
87.00739	2.1
89.02323	4.4
93.03318	2.2
95.01250	2.7
95.04906	27.7
97.02864	3.1
97.06475	17.2
99.04398	3.6
99.92475	5.0
101.02338	3.7
109.06487	9.9
111.04417	2.4
111.08065	2.2
113.02322	5.1
113.05981	7.4
115.92003	3.3
116.92744	6.9
121.06487	3.8
123.04445	5.7
123.08029	6.2
125.05941	4.6
125.09599	26.3
135.08012	17.5
139.00980	2.4
144.14594	2.0
149.09610	5.8
151.07587	3.1
151.11064	2.1
161.04489	6.4
163.11185	11.5
165.12796	6.0
167.10677	5.2
171.10143	3.7
171.73221	2.1
181.12186	5.6
185.11775	14.8
189.12787	6.5
191.10680	8.1
197.11705	2.2
203.14366	8.2
207.10220	9.1
209.11754	100.0
210.12080	6.3
211.13387	4.5
221.11775	4.1
223.13342	2.7
225.11278	4.2
230.73912	2.2
235.13223	3.0
235.15355	2.9
236.15532	8.9
237.14905	31.8
243.17508	7.4
247.13336	7.1
249.14937	6.3
261.18576	3.0
263.08185	4.5
264.09027	3.8
265.14441	19.8
266.94916	2.4
277.18109	4.3
279.19479	2.1
287.16553	19.5
305.17612	32.6
306.17957	2.4
323.10193	7.3
323.14728	2.3
323.18604	40.0
324.18976	5.3
337.81335	2.3
339.78632	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	323.2225
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03325	7.5
57.56766	1.3
57.85836	1.7
59.00955	2.8
59.01252	46.1
62.21719	1.3
69.03306	2.5
71.01254	12.7
71.04906	8.5
71.44133	2.6
72.99219	1.4
73.02808	1.9
83.01262	2.1
85.02805	6.5
85.06514	1.3
87.00756	1.4
87.04395	16.5
89.02312	5.1
93.06939	1.7
97.02817	1.7
97.06465	1.7
101.02334	6.2
111.08064	1.4
113.02328	9.0
114.55948	1.5
118.50628	1.5
119.03340	2.2
119.08560	4.1
121.10143	15.1
123.08032	2.2
125.09602	9.6
137.09636	16.8
147.08080	1.8
149.09619	6.1
161.04442	4.8
171.10187	21.6
177.12820	2.3
185.11752	20.2
191.14435	1.7
195.13858	1.9
197.11766	3.1
209.11778	2.9
211.13365	2.4
217.15939	3.9
221.11819	1.7
245.60663	1.4
247.20644	3.5
273.18634	6.0
288.26886	1.6
291.19650	100.0
292.19962	7.4
305.17676	3.0
305.21185	44.5
306.21619	4.9
309.06335	2.3
317.81281	1.5
323.10001	5.4
323.22266	77.9
324.08792	5.0
324.22614	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.5
58.00453	1.9
59.01249	100.0
71.01250	34.1
71.51167	1.5
72.99176	2.6
73.02811	2.9
83.01254	2.9
85.02827	8.3
87.00739	2.3
89.02314	25.6
95.01273	2.2
99.00758	1.5
101.02316	16.9
107.38694	1.0
111.60387	0.8
113.02331	14.2
119.03378	15.1
143.03424	2.1
143.07074	2.1
146.81529	0.9
149.04449	1.0
152.16837	0.9
161.04442	2.2
179.05524	2.5
179.26192	1.1
204.31653	0.8
217.71416	0.9
281.12369	2.1
298.16901	1.0
323.07574	2.6
323.13458	57.8
324.13779	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	323.1862
Annotation	Albocycline M-1
Peak:m/z	Relative Intensity
55.27874	3.4
56.64100	3.7
57.03312	8.8
57.17094	3.9
59.00954	7.2
59.01250	100.0
61.88867	3.9
61.98671	3.9
69.03320	10.0
71.01250	28.4
71.04886	9.8
71.52798	4.6
73.02815	6.4
77.19335	3.1
78.23356	3.5
80.02504	3.4
81.03330	6.3
83.01252	15.6
83.04885	9.8
85.02808	17.3
87.00758	4.8
89.02322	15.0
95.01301	6.6
95.04893	32.8
96.36139	3.1
96.95869	6.2
97.02829	8.0
97.06472	16.0
99.00742	6.0
101.02306	13.0
102.05291	3.6
107.53638	3.6
109.06459	9.5
111.04394	6.0
111.66685	3.1
113.02325	14.4
119.04892	3.6
121.02810	3.8
123.04421	4.7
123.08002	7.5
125.09622	20.6
130.08623	8.1
134.08824	3.7
135.08052	18.8
153.09099	5.5
157.54675	3.3
161.04437	11.9
163.11191	7.1
167.10710	3.7
185.11769	20.2
187.30331	3.7
189.12744	8.4
191.10847	4.6
197.11777	3.7
203.14351	4.2
209.11768	62.7
210.12067	4.9
211.13466	5.3
235.15164	16.5
236.15533	77.3
237.14876	11.8
243.17413	6.7
247.13370	8.9
265.14450	33.0
287.16556	16.3
305.17590	28.6
323.09879	13.2
323.15280	5.6
323.18646	95.7
323.25403	3.8
324.18832	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	322.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.0
57.56463	0.7
58.81385	0.7
59.01250	22.2
66.69551	0.8
69.92326	1.2
69.92673	3.6
71.01242	1.1
72.99166	0.9
75.95315	0.6
76.99460	0.7
80.04879	1.1
81.07851	0.8
83.04887	6.2
85.02821	2.1
92.74486	0.8
95.95137	1.0
96.95863	1.5
97.06463	2.3
98.02332	3.5
111.24201	0.7
115.41389	0.8
120.08058	0.8
122.05998	1.4
123.08041	6.2
137.09627	2.2
139.26024	0.7
151.11182	4.6
163.11182	2.6
165.12741	0.8
176.10745	1.3
177.12823	0.9
181.12242	1.6
191.14366	1.2
212.25163	0.8
216.13918	4.1
218.15451	4.6
221.11781	1.0
234.14900	1.4
235.13345	2.8
239.12933	0.9
253.14445	5.0
261.59869	1.0
262.14462	15.3
263.05801	0.8
263.14786	1.7
267.72791	0.8
280.15530	100.0
281.15875	8.8
311.40512	0.8
322.16571	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.02829	1.6
69.64202	8.5
69.64632	4.4
71.01235	4.4
71.52229	1.8
89.02307	3.2
113.02277	2.1
172.29353	2.0
202.29352	1.9
221.19511	1.7
278.39252	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	323.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01587	1.4
62.48665	1.4
70.62469	3.9
71.01251	22.8
72.99164	2.9
85.02824	5.7
88.87093	1.2
89.02309	19.6
95.01266	1.4
99.00814	1.6
101.02318	12.4
113.02329	8.6
119.03395	7.2
130.60457	1.3
162.19705	1.4
185.36679	1.3
323.13434	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.4
58.00472	1.0
58.86612	0.9
59.01249	100.0
71.01247	22.5
72.23646	0.9
72.99191	1.6
73.02817	9.0
75.00719	1.2
83.01240	3.8
83.31712	1.0
85.02818	8.5
86.03206	0.9
87.00753	2.1
89.02317	11.2
95.01267	1.3
97.02854	1.4
99.00738	1.5
101.02323	16.6
107.04896	4.9
111.00742	1.8
112.93623	6.2
113.02339	9.0
119.03365	2.7
119.07011	6.6
125.02319	1.1
135.04422	1.5
143.03398	1.6
151.03867	1.4
159.02896	1.4
161.04422	7.1
161.08092	2.1
178.20598	1.1
183.05560	2.0
187.05841	1.0
229.14258	1.2
243.09209	3.2
261.10300	11.7
263.11346	10.1
264.11685	1.2
281.12396	25.7
304.35672	0.9
308.40936	1.0
323.14664	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	322.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	4.7
69.77855	4.1
76.26575	0.7
82.02877	1.0
85.02818	1.3
89.03848	1.1
98.05958	0.8
100.03889	0.9
102.05478	13.1
105.43350	0.6
106.22424	0.6
107.04858	0.7
117.03358	3.6
123.04385	0.7
128.03424	30.2
128.04384	1.5
134.03625	100.0
135.04022	2.4
136.05168	1.1
138.04008	0.6
146.04488	47.8
147.04776	1.4
148.05223	1.6
149.05983	49.6
150.06299	1.6
160.01573	9.5
161.02324	2.2
162.03073	1.9
172.02481	1.9
175.03923	19.4
176.04254	1.0
177.05498	1.7
189.04106	0.7
190.04916	0.6
192.06593	1.8
193.04984	22.9
203.05949	0.6
204.06561	1.3
218.08258	1.2
232.09750	9.5
234.07642	0.7
234.11333	2.4
245.06850	1.6
260.09238	1.8
278.10324	4.9
304.08246	15.6
305.08469	1.1
322.09293	37.8
323.09641	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	322.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05421	0.6
68.06940	0.8
69.21432	5.8
69.21848	1.4
72.63837	0.7
74.72648	0.6
99.93958	0.6
117.22234	0.6
143.28793	0.7
146.08073	0.7
163.65007	0.7
178.52408	0.7
185.77992	0.7
222.05560	2.3
241.03752	2.1
250.08659	1.0
254.04523	1.7
263.05814	1.0
264.06580	2.0
265.03793	1.0
266.04559	45.2
267.05203	8.3
278.04626	2.3
278.08206	9.5
279.05243	1.5
279.09006	2.5
290.08237	4.6
292.06158	15.1
293.06387	1.0
306.07700	27.1
307.08475	42.3
308.08789	3.7
322.10822	100.0
323.11115	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	322.108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.5
62.28698	0.3
70.02073	1.5
71.01251	0.3
78.99418	0.3
89.02337	0.5
92.80396	0.3
97.55241	0.3
113.02347	0.5
121.65301	0.3
156.04393	0.4
199.02786	0.4
200.03430	0.8
204.01187	0.3
222.05579	0.3
238.05048	0.6
245.08447	0.4
248.07066	1.5
250.08740	0.4
260.06992	0.3
261.07925	0.5
262.08676	1.3
263.05911	0.4
264.06708	2.1
266.04556	7.2
267.05054	1.0
277.00961	0.6
277.03772	5.3
277.06537	0.5
278.04395	0.3
278.08209	2.6
279.05737	0.3
279.08856	1.0
289.07419	2.5
290.08252	2.3
291.05350	1.2
291.08282	0.4
292.06146	11.2
293.06497	1.1
305.21280	0.6
306.04251	0.6
306.07687	8.1
307.08472	70.7
308.08807	7.0
322.10815	100.0
323.11151	11.7
323.22256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1704
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
57.03324	7.5
59.01255	12.2
69.03307	2.3
71.01240	4.3
71.04886	12.0
71.52635	2.9
73.02831	4.4
80.02543	3.9
81.03318	9.7
83.04896	5.6
86.10495	1.8
89.81578	2.1
93.03338	11.6
95.01249	2.3
95.04894	63.7
96.05230	2.5
97.06492	11.7
107.04910	11.4
109.02839	2.2
109.06494	13.0
111.04396	7.5
121.02849	10.8
121.06490	7.9
122.03636	3.4
123.04410	6.0
123.08043	9.1
125.09602	59.4
130.48035	1.9
133.06413	2.8
135.04419	9.7
135.08089	2.6
136.05185	2.8
137.06012	2.7
148.05142	2.7
149.05960	12.8
151.07538	100.0
152.07893	4.1
165.01851	7.6
167.07043	7.1
167.10695	2.6
171.10159	16.3
174.06656	2.2
175.07590	5.7
178.06221	4.2
179.95685	2.2
185.11757	19.4
187.07495	2.4
192.07835	2.5
205.12277	4.2
207.10278	3.3
219.13896	4.3
221.11778	3.6
223.09792	3.1
223.13393	9.3
233.11804	7.0
236.06830	5.2
237.11227	4.5
237.14992	3.3
239.12801	3.7
247.13283	5.8
263.12866	4.9
265.14404	34.5
266.14743	2.2
279.15826	3.0
285.14899	3.6
289.18018	7.1
293.17581	3.4
303.16040	16.3
306.18353	2.3
321.13406	15.6
321.17017	61.3
321.20743	12.7
322.07242	4.4
322.10623	4.0
322.17468	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	322.072
Annotation	Oxosarcocapnidine
Peak:m/z	Relative Intensity
53.87838	0.6
57.34295	0.9
58.99466	1.1
59.01251	9.3
71.01248	3.3
71.52876	0.9
71.53265	1.3
81.22700	0.7
83.01221	0.7
85.02816	1.2
89.02321	1.2
92.04930	1.4
93.03341	1.0
108.02040	3.6
113.02335	1.3
118.02880	5.2
119.04943	2.4
146.02379	3.9
161.04474	1.1
174.01851	0.9
180.15495	0.7
186.01900	2.6
194.06084	1.2
202.99794	3.1
206.06081	3.2
222.05534	1.8
223.06308	9.5
234.05554	8.6
235.06192	1.2
235.15195	19.6
250.05064	21.7
251.05827	44.8
252.06186	3.1
262.05008	5.5
263.05731	1.6
264.06702	0.9
266.05518	1.0
266.08249	7.7
278.04572	100.0
279.05206	16.7
290.04678	0.9
294.07715	48.5
295.08087	4.6
306.07639	1.1
307.04657	1.8
307.08597	0.8
310.07318	1.8
322.07190	34.3
322.10541	1.6
322.18222	2.7
323.07300	1.6
323.18674	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	18.9
59.98387	1.3
69.52059	1.9
69.52458	7.2
79.38721	1.0
83.04884	4.0
90.71954	1.0
93.03251	1.2
98.19902	2.2
113.05967	100.0
114.06313	2.7
120.33167	1.0
121.02845	51.9
122.03120	1.5
135.04407	2.8
157.06462	2.2
166.20154	1.0
195.27293	1.1
217.08670	8.3
233.61168	1.1
279.08734	1.4
321.13510	1.3
321.17041	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	321.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48976	1.2
59.00953	2.5
59.01246	43.6
59.98382	1.3
65.92864	1.4
69.33160	10.7
72.99174	1.9
83.04884	5.7
113.05961	97.2
114.06310	2.1
121.02833	100.0
122.03169	2.6
135.04370	8.2
144.77875	1.4
157.06473	4.6
165.05449	3.9
190.15689	1.4
217.08606	10.8
234.07632	1.3
279.08746	1.7
321.17245	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	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.8
57.03327	1.5
58.00469	3.8
59.01250	93.4
59.86215	1.6
69.45851	9.5
71.01252	51.0
72.99177	6.3
73.02828	2.2
83.01241	3.1
84.35232	1.3
85.02827	10.5
87.00754	2.1
89.02314	46.9
90.02708	1.7
92.02382	1.3
92.09785	1.3
95.01273	3.8
99.00774	2.5
101.02320	34.2
107.04898	2.2
113.02330	18.9
119.03384	23.3
131.03407	1.8
141.09135	15.1
143.03479	1.9
159.10150	6.4
177.43930	1.8
179.05490	1.8
191.11028	6.7
279.12677	1.8
321.15604	100.0
322.15988	6.5
344.39990	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	319.2275
Annotation	19S-HETE
Peak:m/z	Relative Intensity
59.01241	0.9
64.39629	0.3
67.30998	0.3
69.03323	12.3
71.00164	0.3
71.01230	0.4
71.04890	1.3
71.51981	0.4
81.03323	1.2
83.01261	0.6
85.02773	0.3
87.23026	0.3
95.04909	0.4
95.82830	0.3
99.04440	0.7
118.77361	0.3
120.03175	0.3
125.09631	0.3
137.02275	0.4
137.05968	1.2
139.03897	0.4
179.03387	1.4
180.04181	1.0
232.07224	0.3
275.23923	2.0
301.14413	0.9
301.21655	0.4
319.15613	6.5
319.22745	100.0
320.15891	0.4
320.19263	0.5
320.23062	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	320.1401
Annotation	Makaluvamine K
Peak:m/z	Relative Intensity
57.97367	0.4
59.01265	0.9
64.13489	0.3
68.94802	0.3
70.90752	1.0
81.03342	0.4
87.04367	0.4
92.04176	0.3
105.82677	0.4
106.06468	0.8
116.04939	59.8
117.03304	0.4
117.05275	2.5
121.02827	0.6
121.06503	0.4
131.03625	1.8
134.05998	0.7
144.04445	1.5
145.99002	0.4
146.06017	4.1
147.04453	0.6
148.99896	0.4
149.06024	0.8
150.05434	0.4
163.08696	3.4
165.01826	2.5
171.05527	1.3
172.67685	0.4
177.10208	1.8
185.07062	0.4
187.08681	50.2
188.09035	3.4
201.01949	0.4
202.99837	0.7
219.10345	0.8
230.08218	0.6
236.06902	0.5
237.58228	0.4
277.14456	0.6
277.17618	0.4
302.13004	1.2
320.13992	100.0
321.04041	2.5
321.13974	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	320.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.1
59.01249	20.3
69.77117	1.0
71.01237	1.7
71.52247	1.4
72.99174	36.8
76.50214	0.9
80.41589	1.1
83.04949	1.3
87.04383	2.9
96.95888	1.0
99.00776	1.0
118.06507	1.5
119.04910	2.0
123.08052	2.5
137.09605	3.2
158.09642	2.4
161.35048	0.9
163.03882	1.1
196.93933	1.0
216.13898	3.3
217.08600	2.1
218.74515	1.0
228.53197	0.9
234.14955	3.3
235.13307	1.8
260.12933	2.5
278.13950	100.0
279.14236	6.8
315.35587	1.1
320.07269	1.0
320.15057	6.4
321.13416	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	319.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02854	7.9
59.01235	2.0
69.18949	3.7
69.19372	7.9
72.00767	5.2
82.06509	2.0
82.91851	1.0
91.05402	7.0
98.20545	2.0
112.07578	2.8
118.06501	3.7
126.09106	1.0
129.10223	69.3
130.10553	1.8
147.04405	22.2
148.04677	1.2
153.10229	3.9
154.08617	9.3
164.07069	63.5
165.07434	1.8
171.11298	55.0
172.11652	2.3
175.03897	1.9
177.01854	1.5
177.05534	1.9
216.13908	1.2
219.02914	1.7
219.06609	2.7
227.07796	0.9
231.10265	1.2
233.16531	34.2
233.18820	2.1
234.16833	1.6
261.14972	1.0
275.17642	5.7
277.15659	2.9
296.01120	1.0
319.16574	100.0
320.16855	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	319.155
Annotation	Zearalanone
Peak:m/z	Relative Intensity
57.03315	3.7
59.01244	1.6
61.98701	0.3
63.92981	0.3
65.00185	1.2
67.01756	0.6
69.03306	0.4
71.01247	0.6
71.04893	0.4
71.52310	0.4
79.05384	0.7
80.70051	0.3
81.03321	4.3
83.01256	3.6
83.04887	1.2
93.03323	0.5
95.04912	0.9
97.06477	0.4
99.04379	0.6
107.04900	1.0
109.02812	0.6
117.03311	0.4
119.04892	0.7
121.02802	0.5
122.03629	1.5
123.04404	8.9
124.01562	0.8
124.04726	0.4
125.02374	0.4
125.05949	0.4
135.04425	0.9
136.05191	0.7
137.02332	1.3
138.03119	1.5
147.04416	5.2
148.05202	2.2
149.02319	1.1
149.06125	0.4
149.09695	0.4
151.00250	1.0
151.03906	0.7
151.07605	0.4
152.04689	0.4
159.08070	0.7
161.02328	1.3
161.06018	0.5
163.03911	1.3
164.04715	0.8
164.59373	0.3
165.01913	0.7
166.02618	9.0
167.03252	0.6
173.05940	1.5
174.02921	0.3
175.00264	1.0
175.04005	1.9
175.07562	2.0
175.11183	0.7
176.01076	0.8
176.04733	1.7
176.08298	0.6
177.01823	1.1
177.05421	0.5
178.06163	0.4
179.03407	6.3
180.04184	4.8
188.08250	0.4
189.09050	0.6
191.03407	23.4
191.10551	0.4
192.03934	1.9
193.04878	0.5
197.09906	0.4
201.01862	3.6
201.09081	0.4
202.02193	0.7
203.03346	2.8
203.07027	1.3
204.00691	0.3
205.01283	0.3
205.05009	6.0
212.03284	0.4
215.10692	1.6
215.14371	0.4
217.12206	1.0
219.06572	1.7
220.07343	5.5
233.07939	0.4
233.11836	0.6
234.01530	0.3
234.08916	1.6
235.09427	0.6
243.10165	0.8
257.15320	0.6
259.13330	0.4
261.11331	1.6
273.15076	1.8
275.09418	0.5
275.16525	1.7
275.19894	0.4
277.14441	3.0
278.14581	0.3
287.09195	1.7
291.15985	1.0
301.14401	1.7
319.15469	100.0
320.15854	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1548
Annotation	Zearalanone
Peak:m/z	Relative Intensity
57.03325	2.6
58.69606	0.5
59.01232	1.7
59.56137	0.4
65.00194	0.8
69.03326	0.5
70.47030	2.1
71.91925	0.6
81.03326	3.9
83.01250	5.5
83.04897	1.2
83.33664	0.5
85.06434	1.4
87.04360	2.8
93.03325	1.3
95.04900	2.0
97.06463	1.1
107.04899	1.1
119.08522	1.0
121.02803	1.8
122.03622	1.7
123.04391	5.4
123.08032	0.6
124.01547	0.7
125.02313	0.9
125.05970	1.6
135.04398	6.2
136.05180	2.0
137.02312	0.8
137.05974	5.4
139.11220	0.8
145.02834	0.7
147.04416	1.5
148.01514	0.6
148.05159	0.9
149.02371	0.9
149.05956	0.9
151.00223	0.8
151.03867	0.6
161.02351	0.8
161.05954	3.7
162.03001	1.0
162.06735	1.5
163.00266	1.3
163.03990	4.1
163.07547	4.3
163.11142	0.7
164.04631	1.8
165.01811	0.7
166.02628	5.0
173.05988	0.6
175.03886	1.6
176.04568	0.6
177.01834	1.1
179.03418	2.2
180.04146	2.1
187.07457	0.8
187.11133	0.6
189.05492	2.1
189.09138	0.9
189.12732	0.7
190.02617	0.6
190.06293	1.0
191.03427	5.4
191.07014	0.6
191.81845	0.5
192.04190	2.4
201.01875	0.9
203.03490	1.3
203.10670	0.7
204.11476	1.2
205.01375	0.7
205.05028	0.7
205.08583	2.8
205.12248	1.6
206.09427	6.8
215.10655	1.7
217.05138	1.3
217.08694	0.8
218.05774	2.5
219.10258	0.7
230.09509	0.6
231.10222	2.1
232.10905	1.1
233.08078	1.8
233.11772	7.5
234.08968	10.0
234.11430	0.8
234.12195	0.6
243.10205	0.8
247.13586	0.6
261.11319	5.8
273.15015	1.0
275.16589	0.8
277.14447	3.8
283.54538	0.5
291.08984	1.2
291.12460	1.7
291.16010	6.6
292.16098	0.8
301.14459	1.8
319.15472	100.0
319.22943	2.9
320.15936	8.6
336.22275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.7
59.01231	0.6
69.03323	0.4
69.33015	3.0
71.01285	0.6
74.33945	0.3
85.06486	0.3
93.03324	0.4
98.20547	0.8
117.03339	2.6
119.04893	0.7
145.02863	1.7
147.04388	1.4
149.02351	0.9
151.03886	0.5
157.02834	0.9
159.04414	0.8
161.02344	18.3
162.02731	0.5
163.03914	1.0
173.02350	6.1
173.05927	0.4
174.03148	7.7
175.03886	2.2
181.19965	0.4
185.02362	1.4
187.03912	3.8
188.01003	1.7
189.01662	0.5
190.99731	0.6
201.01859	100.0
202.02289	6.7
203.03421	50.8
204.03748	2.2
214.02788	0.6
218.99277	1.5
229.04982	5.0
233.08180	0.6
234.05232	1.9
243.10211	2.7
250.95361	0.4
259.09531	0.5
261.04095	0.5
269.08176	0.5
287.09244	44.3
288.09509	3.5
293.05008	0.4
319.08212	0.8
319.11865	5.2
319.15311	0.7
319.22592	0.9
320.12161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	6.5
65.71853	1.5
67.38427	1.6
69.03307	1.9
71.01264	1.9
71.52295	2.7
73.10129	1.7
78.03435	1.7
83.04887	3.5
87.55122	1.6
97.06499	1.5
117.03303	1.8
119.04929	4.5
135.50237	1.9
145.02873	3.3
147.04399	4.3
147.29124	1.9
149.05965	2.4
149.89987	1.9
157.02802	3.5
159.04393	7.7
161.02357	11.6
169.44081	2.1
174.03120	6.7
175.03935	22.2
176.01091	4.2
177.05492	13.7
182.39301	1.9
183.04311	4.0
185.02353	45.5
186.02988	6.3
187.03874	14.0
191.03438	9.5
201.01869	7.5
201.05467	6.0
202.02631	9.6
203.03418	100.0
204.03711	4.1
205.04993	2.2
211.03900	3.8
215.10632	3.2
218.02139	31.3
219.02483	2.0
229.05017	32.3
234.05237	15.0
235.02426	11.2
235.05873	2.9
243.10207	14.0
244.79861	1.5
250.04845	3.7
261.07651	9.5
269.08167	5.8
276.82120	1.6
278.02814	2.0
287.09262	43.6
288.09729	2.4
293.83871	1.7
314.51599	1.8
319.11768	30.6
319.15524	6.0
319.19080	2.0
319.22614	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	318.1342
Annotation	(2S)-(-)-7,8-Dimethoxyplatydesmine
Peak:m/z	Relative Intensity
53.21331	0.8
54.70522	0.9
59.01230	1.7
59.32437	0.9
73.76917	0.8
74.89832	0.9
76.90275	0.9
83.04899	1.3
93.03328	2.4
100.21841	0.9
106.81352	0.9
113.05968	8.9
117.03378	1.5
121.02846	8.6
121.06480	13.6
122.03584	1.1
135.03160	1.1
145.02821	1.1
151.02663	30.5
152.03378	3.7
164.03409	4.7
172.03914	2.3
172.38452	1.0
183.01659	21.7
190.05011	3.9
191.05833	6.3
192.06543	2.2
199.03999	1.5
200.70024	1.1
201.01979	1.4
204.06601	7.3
205.07265	2.0
208.32631	1.0
228.06526	6.3
242.11864	2.1
286.10834	17.4
287.11093	1.0
318.13431	100.0
319.05960	7.4
319.13687	7.6
319.22797	1.5
322.29111	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94090	0.7
59.01244	1.0
60.68019	0.6
63.03865	0.7
71.52589	1.5
109.56532	0.8
120.19376	0.8
134.03654	1.6
137.02194	0.9
159.08055	2.4
162.03114	4.6
166.02565	1.3
194.02144	4.6
201.05432	2.2
215.07054	3.4
216.07861	4.5
233.08124	3.8
257.15463	2.1
270.76651	0.8
285.14935	100.0
286.15335	8.0
317.17453	4.9
317.20984	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94625	0.5
64.95406	0.5
73.91129	0.5
77.66600	0.6
106.04080	0.6
121.02800	0.6
134.03618	2.3
159.08084	2.8
162.03099	4.4
163.07602	0.6
166.02579	1.4
173.05989	1.0
175.03958	0.8
187.03891	0.6
187.07600	0.6
189.09160	1.2
194.02132	3.6
201.05528	3.5
202.06128	0.6
215.07146	2.6
216.07877	5.7
229.12241	0.6
229.15927	0.6
231.06297	0.5
233.08087	6.3
257.15463	2.1
270.86993	0.5
285.14941	100.0
286.15295	8.1
302.15109	1.0
317.13846	1.5
317.17563	7.2
317.21072	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77834	0.8
59.01241	1.8
63.96110	0.9
69.85120	3.8
71.01243	6.6
73.02805	1.3
78.98471	5.5
79.95597	5.7
80.96383	49.5
85.02802	2.4
87.00742	2.2
89.02236	0.6
93.03297	0.8
94.97956	11.8
96.54390	0.6
96.95881	0.9
97.02802	1.6
98.19836	0.8
101.02316	2.2
106.97974	2.0
108.02048	1.5
113.02333	0.9
122.97442	1.9
125.02322	2.3
127.03845	0.9
134.97467	3.4
136.99022	1.7
137.02361	1.2
148.99039	4.7
152.98531	5.0
154.01497	0.7
164.98532	8.9
174.80534	0.6
188.98494	0.9
206.99588	2.0
225.00688	13.3
317.05417	100.0
318.05792	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	317.1391
Annotation	Pestalotiopsone C
Peak:m/z	Relative Intensity
57.03332	0.7
58.15174	0.6
60.71065	0.5
61.98702	0.5
65.03822	0.5
67.01747	0.9
69.57370	0.5
70.90924	1.2
71.04911	0.5
72.27696	0.5
79.05397	0.6
81.03306	0.6
83.01270	1.0
83.04901	2.3
93.03338	1.2
107.04942	0.6
108.02045	4.3
109.02833	2.8
109.06498	0.6
119.04894	2.0
120.05254	0.6
121.02847	13.7
122.03631	22.5
123.04449	6.1
133.02847	1.8
135.04428	1.9
135.73314	0.5
137.06221	0.5
149.02347	10.7
150.03011	1.0
154.12106	0.5
161.02376	5.0
161.05974	0.9
163.07545	1.1
167.03416	3.2
175.07507	1.4
177.12741	2.6
179.03375	1.2
185.80794	0.6
187.07489	0.7
189.05482	0.9
228.14688	0.7
245.15442	100.0
246.15776	8.6
273.14951	22.6
274.15311	2.1
317.13580	19.1
318.14236	1.8
318.17416	0.8
327.78763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34222	0.5
52.08050	0.4
56.69851	0.5
57.95483	0.4
70.02231	0.4
70.93621	0.5
71.04883	1.4
71.52100	0.5
79.71432	0.5
83.04905	1.3
93.03339	1.7
106.04104	1.5
107.04870	0.7
109.73966	0.5
117.03372	0.8
119.04903	7.7
119.85879	0.6
121.02855	3.5
133.06450	0.8
134.03601	0.6
135.04349	0.8
138.03131	0.7
139.11169	1.1
147.04436	5.2
149.02345	1.5
161.05984	6.6
162.06285	0.6
163.03915	1.5
165.05492	0.6
172.03958	1.8
189.05641	0.8
193.04976	1.1
227.14372	3.5
229.12244	2.5
239.61624	0.5
245.15410	9.5
247.13371	11.6
248.13652	0.9
250.12143	0.5
258.12613	1.2
260.11368	0.9
260.14145	14.1
261.14542	1.0
273.14908	1.2
280.13202	0.7
298.14450	26.7
299.14902	2.7
316.15509	100.0
317.15948	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	317.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.1
59.01244	0.3
63.96105	0.4
64.96864	0.1
66.16832	0.1
66.62653	0.1
69.03319	0.3
69.83279	0.4
69.83696	0.2
71.01249	4.3
72.99173	0.2
73.02818	1.0
76.07008	0.1
77.12432	0.1
78.90646	0.1
78.98455	3.3
79.95144	0.2
79.95594	4.8
80.96386	39.2
81.03316	0.6
81.96342	0.1
82.95969	0.3
83.01241	0.2
85.02815	1.5
87.00739	1.5
94.97956	9.0
95.01255	0.2
96.95883	0.6
97.02827	0.8
98.20582	0.1
99.00743	0.6
99.04412	0.2
101.02326	1.4
106.97956	1.9
113.02330	0.3
122.97459	1.9
125.02336	1.9
127.03895	0.7
134.97472	3.1
136.99016	0.9
140.79308	0.1
141.01761	0.1
143.03427	0.2
146.97473	0.2
148.99037	3.9
152.98535	4.3
164.98532	7.2
165.98863	0.2
167.00130	0.3
177.19893	0.1
179.00233	0.1
188.98582	0.3
206.99614	1.9
218.89536	0.1
225.00684	12.5
226.00996	0.4
274.88745	0.2
317.05438	100.0
318.05753	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	316.1551
Annotation	2-Nitroestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
51.68653	0.8
52.59346	0.9
71.30177	1.5
75.20813	0.8
106.04123	6.2
107.04908	34.6
107.57839	0.7
108.05235	1.0
109.02820	5.1
121.02840	6.8
122.03625	29.8
134.03633	5.3
137.02306	0.9
138.03079	1.2
159.03162	4.9
159.34877	0.9
160.03951	35.1
161.02361	1.1
161.04320	1.1
166.02600	2.3
177.04234	1.6
178.05017	31.1
179.05246	0.9
191.02211	2.0
203.07098	1.0
203.10880	0.8
225.30421	0.8
227.14218	0.9
241.28459	1.0
242.13240	1.0
245.15450	2.1
247.59320	0.9
260.14154	3.0
271.13425	1.0
280.13501	1.3
298.14423	12.1
316.15515	100.0
317.15836	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	316.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83696	0.7
52.57671	0.5
59.01239	1.1
71.52788	0.7
79.95611	0.7
83.04871	0.8
85.06459	10.4
87.06037	0.6
93.03354	1.8
98.36651	0.6
106.04115	5.9
107.04917	12.3
109.02841	1.4
110.00002	2.7
111.00311	1.0
119.04893	0.9
121.02851	3.0
122.03630	4.8
123.04433	0.6
125.09542	0.8
134.03622	13.6
135.04422	0.9
137.99469	1.4
138.03110	1.6
143.04877	0.9
147.04439	1.2
147.08084	3.5
149.02420	0.6
159.03185	0.8
159.08061	5.9
160.03908	5.5
161.02252	1.3
165.98985	1.9
166.02631	12.8
166.99326	1.0
171.04402	1.2
173.02306	3.4
174.03191	0.7
175.03906	0.9
178.05003	5.2
187.07558	12.9
191.73706	0.6
227.14365	0.7
231.06560	0.9
232.07349	4.9
245.15421	6.1
259.09692	0.7
260.14178	1.7
272.14032	1.2
286.03830	1.0
298.14471	20.9
299.14786	1.0
301.06656	5.4
316.09055	6.8
316.15506	100.0
317.13321	1.2
317.16397	6.6
317.21277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31983	0.3
52.55687	0.4
57.48944	0.3
58.15483	0.4
61.75839	0.4
69.93987	2.0
98.19826	0.5
106.04119	7.9
107.04932	1.1
121.02800	0.4
124.77084	0.4
134.03624	3.4
136.41438	0.5
138.03119	1.1
147.04401	1.7
147.68904	0.4
159.03175	0.7
159.08057	2.0
166.02623	2.0
175.11197	8.4
176.11426	0.4
180.04109	0.5
182.02097	0.5
187.07590	1.0
196.11359	0.4
201.09172	3.6
227.14258	0.5
245.15427	7.2
246.15746	0.7
255.13889	3.5
260.14130	3.7
271.13208	0.4
272.14178	0.8
298.14462	20.6
299.14853	1.9
304.83981	0.4
316.15515	100.0
317.15884	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	316.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00293	0.5
57.03308	1.7
60.08524	0.4
70.17151	1.8
71.04890	2.2
85.68616	0.5
93.03330	2.7
106.04123	5.1
107.04932	2.2
108.02010	0.4
117.03299	0.6
117.25848	0.4
119.04913	8.5
121.02820	2.3
121.75490	0.4
122.03621	1.3
122.40921	0.4
128.07053	0.5
134.03625	1.5
138.03093	1.3
139.11165	2.0
146.07201	0.8
147.04404	1.4
149.02301	0.6
150.76036	0.4
159.08061	1.5
160.03928	0.8
161.05992	2.9
163.03880	0.4
166.02629	0.5
172.08902	0.7
173.09641	0.6
175.11124	1.2
178.05011	0.6
187.07553	1.2
187.11192	1.9
190.05000	0.7
225.12732	0.9
227.14371	7.7
228.14691	1.1
229.12238	1.2
232.07520	0.5
235.78221	0.4
245.15419	15.6
246.15834	1.2
247.13429	2.5
260.14133	7.8
261.14572	1.0
298.14468	13.6
299.14767	1.5
316.15503	100.0
317.15906	8.5
336.07477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85241	0.2
53.76914	0.3
75.39746	0.2
81.49278	0.2
83.04876	0.6
83.31272	0.2
91.58031	0.2
93.03329	3.9
106.04119	17.9
107.04295	0.3
107.04896	0.9
108.02050	0.4
110.96976	0.3
119.04883	0.5
121.02829	2.0
122.03610	0.8
123.08041	21.4
124.08337	0.6
132.04405	0.3
133.13643	0.2
134.03589	0.3
138.03108	3.0
143.04868	0.4
145.06471	0.3
146.07285	0.8
150.03146	0.6
159.03110	0.5
159.08084	0.8
160.03598	0.2
161.06021	0.3
161.09578	0.3
171.08078	0.9
172.08801	0.8
177.04131	1.2
182.02115	0.4
183.08017	0.5
185.89067	0.3
187.11197	28.9
188.11493	1.7
198.05548	0.5
199.06261	0.7
209.03250	0.8
211.11235	0.5
213.09174	0.4
214.08597	0.2
217.07387	1.8
225.12831	1.8
227.14349	5.6
228.14734	0.6
229.12273	8.2
230.12701	0.5
245.15411	8.9
246.15767	1.1
257.11859	0.3
260.14127	3.3
261.14648	0.3
271.13440	1.1
284.14319	0.3
288.89932	0.3
298.14453	2.5
316.15503	100.0
317.15784	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	316.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48433	0.6
56.32158	0.5
57.03350	0.7
66.10093	0.5
69.27469	3.0
69.27898	2.6
69.72203	0.5
73.52834	0.5
79.59579	0.5
81.06956	0.5
83.04879	1.2
87.80891	0.6
93.03339	2.1
106.03473	0.8
106.04126	7.9
107.04897	1.5
121.02811	3.3
123.08041	30.0
124.08379	1.3
137.08064	0.5
138.03107	1.1
150.45248	0.6
159.03159	1.7
159.08072	1.1
166.02666	1.0
171.08032	1.4
175.11186	4.8
187.11215	7.0
188.11615	1.0
191.02174	1.2
198.05583	0.9
199.06290	2.5
211.11136	0.6
217.07323	0.7
225.12753	0.8
227.14333	2.0
229.12311	16.0
230.12631	0.9
245.15422	5.8
260.14136	7.6
261.14636	0.5
271.13391	1.7
298.14471	16.5
299.14835	1.9
316.15530	100.0
317.15878	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	316.1551
Annotation	2-Nitroestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
61.22455	1.5
61.35238	1.4
68.29791	1.3
69.40292	7.7
69.40705	4.2
70.90820	1.4
74.15805	1.6
93.03333	2.5
98.20615	2.8
101.14980	1.4
106.04099	2.5
107.04916	2.5
108.02043	6.3
109.02816	2.1
121.02800	4.8
122.03602	5.6
122.17356	1.6
130.04152	17.1
133.26277	1.4
136.01581	1.5
137.65666	1.5
143.04890	8.3
144.05676	4.0
145.06503	15.1
149.02341	6.3
150.03117	4.1
157.06514	12.5
158.07259	2.4
159.04414	4.0
159.08055	15.7
160.68736	1.4
161.02345	6.9
161.06035	2.4
162.03085	2.5
165.01857	1.8
171.08006	2.9
173.06013	1.8
175.07550	4.7
185.06030	2.0
187.03874	5.0
201.05498	8.6
202.06087	2.3
203.07065	53.2
204.07422	3.0
211.11140	1.4
227.14323	7.6
230.08163	3.9
245.15427	13.4
271.13376	98.2
272.13870	6.6
289.14450	99.3
290.14737	7.1
298.14471	8.3
316.15509	100.0
317.15750	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	316.1548
Annotation	Labrandine
Peak:m/z	Relative Intensity
54.97337	0.4
65.00186	1.1
65.03829	0.7
68.99698	0.8
70.85235	1.3
79.05404	1.2
91.01764	0.4
95.01276	1.9
108.02057	1.9
109.02848	1.6
109.06476	0.7
121.02837	3.9
122.03622	3.6
123.00755	0.9
123.04491	0.7
131.08565	2.5
133.02881	0.7
133.06476	1.5
134.03555	0.4
136.01584	0.7
145.33865	0.4
148.01552	0.8
149.02336	5.2
150.03136	0.8
152.01016	0.6
157.06549	0.8
159.04395	3.2
159.08041	1.5
161.02315	4.2
161.05948	0.5
173.05951	1.7
175.03990	0.6
175.07542	8.9
176.07852	0.7
177.12730	3.8
182.02139	0.6
187.03917	2.3
188.04678	1.4
199.14790	0.8
201.05472	2.1
201.16429	0.7
202.06313	1.3
203.07062	58.7
204.07436	3.5
217.08614	1.3
227.14357	3.9
230.08139	3.3
243.13890	0.7
245.15421	18.9
246.15823	1.6
260.14178	0.9
271.13370	19.4
272.13983	2.2
272.16599	0.8
273.14911	2.4
289.14441	27.1
290.14844	2.0
298.14478	3.5
316.15503	100.0
317.15826	9.4
332.82266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77880	0.3
57.03308	0.5
59.01245	0.5
62.12791	0.3
63.65218	0.3
70.11600	1.3
80.96400	0.4
83.04891	2.0
93.03327	1.5
106.04124	3.3
107.04907	1.2
111.00793	0.5
118.80412	0.4
119.04922	0.8
121.02838	3.5
123.08039	38.4
124.08393	1.5
132.04440	0.4
138.03120	0.8
150.03123	0.4
159.03157	2.1
159.08020	0.8
161.05997	0.5
162.06587	0.3
166.02689	0.5
171.08104	1.7
177.04283	0.9
182.02080	0.6
183.07990	0.6
187.11177	5.0
191.02168	1.1
191.47278	0.4
198.05473	0.6
199.06296	3.3
209.03131	0.7
211.11189	0.9
213.09154	1.4
217.07358	0.9
227.14301	1.2
229.12280	19.5
230.12581	1.0
245.15358	2.7
250.57790	0.4
254.51498	0.4
257.11829	1.1
260.14145	9.1
261.14542	0.6
271.13440	2.3
298.14456	21.4
299.14874	1.9
316.15506	100.0
317.15869	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	316.155
Annotation	2-Nitroestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
57.03358	0.4
70.63087	0.4
82.40244	0.4
83.04904	1.7
91.66026	0.4
93.03327	1.3
106.04110	3.6
107.04911	0.6
121.02837	4.0
123.08037	28.3
124.08353	0.8
134.03607	1.6
137.02322	0.8
138.03134	1.0
141.31686	0.5
144.04532	0.6
159.03192	1.4
159.08067	1.3
161.09595	2.1
166.02626	0.9
171.08134	0.7
177.04243	0.4
187.07524	0.6
187.11179	3.5
188.08299	1.1
191.02197	0.9
198.05511	1.1
199.06261	2.9
209.03198	0.5
211.11113	0.6
212.07018	0.5
213.07661	0.7
214.08652	1.1
217.07359	0.8
227.14296	0.8
229.12285	14.5
230.12636	1.2
232.09778	1.6
241.56609	0.4
245.15366	2.8
257.11902	0.8
260.14166	7.2
261.14465	0.7
271.13339	2.7
298.14459	20.4
299.14740	1.7
316.15503	100.0
317.15881	9.2
317.19565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1598
Annotation	3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
Peak:m/z	Relative Intensity
58.00456	0.4
58.67562	0.4
58.67878	0.4
59.01250	1.6
68.53772	0.4
69.29662	4.0
70.51962	0.4
72.99159	0.6
84.07364	0.4
89.00703	0.5
106.03468	0.7
106.04118	9.4
107.04924	3.4
109.02875	0.4
119.04153	0.4
119.04900	2.3
121.02836	2.1
123.04430	0.5
123.08031	0.4
134.03592	2.3
135.04375	1.1
138.03116	2.1
143.04909	0.4
145.06528	0.8
147.04405	0.6
147.08047	0.6
148.05220	0.4
149.02328	2.5
149.05963	0.6
153.05426	0.5
159.08072	7.9
160.08319	0.5
161.09628	3.9
163.03941	3.5
166.02591	0.8
171.08070	0.5
175.03932	0.9
187.07581	0.6
203.07065	8.3
212.77750	0.5
219.95805	0.4
229.08669	0.8
229.15927	12.3
230.16283	0.6
231.13922	1.1
241.15851	2.5
246.08748	0.4
248.68080	0.4
257.15384	2.5
259.17050	1.0
269.15405	2.6
271.17023	2.3
272.14182	3.5
273.14954	2.0
285.14957	6.7
286.15280	0.6
287.16513	14.5
288.16681	1.9
301.14603	0.9
315.15976	100.0
316.16235	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	315.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47824	3.4
57.03314	15.5
59.01247	100.0
71.52924	6.2
72.99170	14.8
73.02813	4.9
83.04895	8.1
85.02816	11.1
87.00762	23.5
95.04925	4.3
108.02047	36.5
109.02812	8.8
109.06503	5.7
135.08022	9.4
137.09578	17.5
138.06731	15.6
151.11156	5.1
152.01064	32.4
153.01828	9.9
153.09117	36.7
165.12811	8.4
166.99907	4.0
175.11154	19.4
176.08337	6.4
179.10687	4.8
181.12325	6.2
191.10690	9.1
193.12222	10.4
197.11705	4.2
209.11707	4.6
211.13342	13.3
227.12776	15.4
239.12878	31.6
255.12358	53.4
273.13412	59.4
281.13962	9.6
300.02664	7.7
315.07339	36.3
315.14349	24.4
315.17661	5.5
335.39029	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	315.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85571	1.9
57.03321	10.3
59.01249	100.0
69.03325	3.3
70.01599	9.5
71.04899	2.7
72.99171	9.4
73.02818	3.2
75.10321	1.8
83.04878	5.0
85.02808	10.6
87.00743	19.8
95.04906	3.7
97.02818	3.7
108.02073	9.9
109.02833	2.7
109.06474	5.4
111.04382	3.4
121.06495	2.4
123.08054	5.6
133.06474	2.0
135.04454	1.9
135.08047	5.1
137.05983	2.1
137.09622	13.6
138.06795	12.5
149.09602	4.7
151.00229	2.8
151.07529	4.2
151.11127	4.2
152.01123	4.7
153.01881	2.8
153.09132	31.5
155.35539	2.8
163.11131	3.7
165.09094	2.1
165.12776	3.8
169.81921	1.9
171.06421	2.0
175.11159	12.1
176.08278	4.0
177.08913	2.0
179.10657	3.9
181.12250	6.2
191.10672	6.8
193.12300	6.0
197.11679	5.3
209.11632	2.9
211.13298	10.3
227.12877	14.7
237.08667	1.8
237.11269	3.1
239.12866	25.8
255.12367	45.5
256.12701	2.7
273.13446	52.2
274.13736	2.7
281.13950	8.0
300.02731	2.7
315.07349	3.3
315.14490	17.9
315.17776	3.9
316.15274	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	315.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96573	0.7
53.98356	0.7
59.01239	2.3
61.98697	0.8
66.10381	0.9
71.53144	1.2
85.99099	0.9
87.03539	0.7
99.39030	0.7
117.03342	1.2
121.02840	3.0
122.03635	1.3
123.04406	1.7
124.90608	0.8
129.09106	0.9
133.02829	1.6
134.03629	1.0
145.02846	2.1
146.82819	0.7
151.00266	0.9
153.05481	2.5
161.02393	1.0
163.03999	0.9
173.06010	1.3
193.32402	0.8
212.03456	0.9
213.04330	1.9
227.02090	1.0
228.02937	3.7
229.03716	3.6
242.01009	2.6
243.13881	10.0
256.02515	22.6
257.03271	75.2
258.03531	4.9
269.00946	1.6
270.00412	20.1
271.00854	0.9
271.13330	3.2
272.05682	2.0
284.01993	4.5
285.02786	56.9
286.03131	3.2
300.05133	100.0
301.05487	7.6
314.24139	2.8
315.07684	20.4
315.11176	2.0
315.15829	3.5
315.19229	0.8
315.24579	1.4
316.07880	1.5
316.15570	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.051
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
54.24633	0.4
59.01211	0.5
63.02262	6.1
65.00191	4.6
68.24480	0.4
69.40220	2.2
69.40627	0.9
71.01212	0.4
74.95938	0.3
75.96383	0.4
83.00814	0.4
83.01250	5.3
83.28545	0.4
95.01228	0.5
107.01269	11.9
108.02060	2.4
120.02010	0.5
123.00761	0.8
124.01529	2.2
125.02258	0.4
135.00706	0.8
136.01556	1.2
148.01570	4.6
149.02271	0.5
149.99521	2.1
151.00270	19.0
152.00946	0.8
160.82083	0.3
163.00250	3.3
164.01067	6.4
169.01350	1.7
172.05075	0.5
174.03036	0.6
182.17955	0.4
183.04439	0.6
189.01912	0.5
192.00497	1.1
199.03986	0.4
200.04755	0.7
211.03857	0.8
215.03427	1.0
216.04163	1.7
217.04622	0.5
226.02794	0.7
227.03450	3.1
228.04214	1.1
243.03015	2.9
244.03638	0.8
254.02031	0.4
255.02922	4.4
271.02444	5.8
272.03165	1.9
283.02481	3.7
299.01959	1.2
300.02728	77.6
301.03107	6.1
315.05081	100.0
316.05457	8.5
316.15503	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
51.40410	0.4
59.01251	0.7
69.70573	2.4
71.01255	1.8
73.02822	0.8
81.03339	0.9
83.01250	0.7
84.93133	0.4
85.02837	1.7
85.91204	0.4
93.03326	0.9
95.01267	1.5
96.75275	0.4
98.20592	0.8
101.02303	1.0
101.59415	0.4
106.03123	0.4
107.04897	0.5
108.02052	85.9
109.02851	26.6
109.14242	0.4
110.03197	0.6
113.02352	1.1
121.02813	0.8
123.00749	0.7
123.04396	1.1
135.00780	1.1
137.02357	0.5
151.03874	2.1
152.01059	53.2
153.01846	26.2
154.02185	0.8
163.03937	1.3
165.01859	2.6
195.02899	0.6
225.03937	0.5
315.07214	100.0
316.07498	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.91080	0.5
70.38574	1.9
71.01246	3.6
71.45291	0.6
73.02808	1.1
81.03339	0.7
83.01248	0.6
85.02827	5.5
93.31382	0.6
95.01256	2.0
99.00728	0.5
101.02328	1.1
108.02051	100.0
109.02851	26.2
110.03178	0.7
113.02309	1.7
113.59505	0.6
114.17335	0.5
121.02832	2.3
123.00775	2.5
123.04434	1.2
133.02841	0.9
151.03909	2.2
152.01060	89.0
153.01848	31.3
153.05428	0.7
154.02219	1.1
163.03925	1.4
165.01845	1.8
195.02985	0.7
315.07211	89.5
316.07480	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	314.1395
Annotation	3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one
Peak:m/z	Relative Intensity
59.01247	2.3
71.01254	2.3
71.52560	1.2
83.04884	2.4
85.63059	1.3
93.03315	2.3
106.04131	5.3
107.04935	1.9
117.03311	1.6
119.04922	1.6
121.02818	4.2
123.04370	2.4
133.02852	1.7
134.03633	10.1
135.04405	1.3
138.03128	2.8
143.04890	6.8
145.02878	1.7
153.05537	2.8
157.06476	6.1
159.03207	2.7
159.04424	1.6
159.08055	20.1
161.05945	8.3
166.02620	9.5
174.06770	2.7
177.04277	2.7
185.05952	1.6
187.07574	4.1
189.05507	1.3
191.02121	1.9
209.03162	1.9
212.07111	10.5
223.20613	4.4
225.12700	1.6
230.08191	21.7
230.10266	2.2
231.08604	1.1
243.13925	5.5
245.11748	1.3
253.21710	6.2
258.12653	3.0
269.11948	1.9
282.24420	4.3
296.12891	12.7
314.13974	100.0
315.14337	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	314.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09927	0.9
59.01234	2.6
61.98700	0.7
83.04881	4.0
85.02809	1.1
93.03322	1.3
97.06477	0.8
106.04104	3.1
107.04901	3.4
117.03262	0.8
119.04898	3.2
121.02818	3.1
122.03593	2.9
123.00790	0.9
123.04372	1.3
133.02846	8.7
134.03564	2.2
137.02339	1.2
137.09624	1.7
138.03122	1.2
143.04913	4.8
145.02847	0.9
151.23387	0.9
153.05484	1.5
157.06467	2.5
159.03134	1.8
159.08054	21.0
160.08427	0.8
161.02350	0.9
161.05960	4.4
166.02638	2.5
174.06747	2.5
177.04190	2.4
185.05846	0.9
187.07570	2.9
209.03207	2.1
212.07092	2.7
225.12808	1.9
230.08153	8.6
241.12193	0.8
243.13869	14.7
244.14224	1.2
256.57385	0.9
258.12524	2.5
269.11862	1.0
287.12817	6.6
296.12924	8.5
314.13977	100.0
315.04825	1.6
315.14200	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	314.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60606	0.5
54.44127	0.6
69.03313	1.9
69.83571	2.6
69.83981	1.0
74.87813	0.5
80.92926	0.5
83.04894	37.2
93.03340	2.9
100.05141	0.5
106.04119	5.6
107.04905	10.2
119.04909	1.9
119.08582	0.6
121.02869	1.2
123.08044	3.7
129.05658	0.7
134.03627	8.7
143.04901	2.3
145.06433	0.9
147.04405	1.4
147.08054	12.2
148.08377	0.6
159.08060	18.0
160.08371	0.8
161.05978	1.0
166.02654	4.5
173.09641	1.2
174.06726	1.3
182.09674	2.2
184.11235	2.5
187.07559	1.4
199.07591	1.1
214.12308	7.1
225.12836	3.6
227.10754	1.3
230.08139	1.6
241.12282	1.4
243.13876	13.9
244.14101	1.2
255.10405	0.7
269.11768	1.5
270.12503	0.6
296.12985	6.0
309.87582	0.7
314.13974	100.0
315.14322	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	314.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93243	0.8
56.65938	0.7
59.01246	2.0
68.32799	0.7
71.53025	0.9
83.01222	0.8
106.04115	1.2
108.02061	1.1
109.02801	1.1
121.02849	2.2
123.00790	1.3
137.02463	0.8
141.06929	2.4
143.98421	0.9
145.02858	1.4
145.06456	1.5
147.08076	1.0
149.02283	0.8
153.05435	1.7
159.08072	2.5
171.08067	1.8
172.08777	1.3
173.09633	9.3
174.06590	1.0
175.07518	3.4
177.05482	0.9
191.07027	1.3
198.09235	1.0
203.07085	3.2
234.81081	0.8
243.13809	5.9
244.14243	0.9
245.11807	13.5
246.12225	1.2
248.10393	0.8
258.12589	18.9
259.12985	2.2
287.12787	1.1
296.12955	22.0
297.13242	1.8
314.13986	100.0
314.23907	1.9
315.04987	0.9
315.14120	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	313.1442
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
57.03315	0.4
57.53197	0.2
59.01236	0.6
59.28399	0.3
60.92867	0.3
70.63904	0.8
71.01243	0.3
73.52699	0.2
85.02814	1.2
100.12145	0.3
108.02107	0.3
115.09190	0.2
121.02803	0.3
129.01906	0.3
130.04103	0.4
145.02856	3.4
146.03577	0.8
161.02441	0.3
173.02382	1.3
174.03128	11.2
175.03697	0.4
175.63202	0.3
178.02676	0.5
182.98752	0.3
183.08073	1.0
187.03906	0.5
206.02115	8.3
213.05499	3.0
214.06271	0.3
227.07083	1.5
228.07816	1.6
231.65749	0.3
255.05246	0.3
260.06784	0.3
283.02441	0.5
298.04831	0.5
313.14429	100.0
314.14734	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	314.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.3
59.01248	1.6
60.58975	1.2
69.17538	1.1
70.27008	4.8
76.11988	1.1
79.05374	1.2
83.04890	12.4
85.02834	1.4
93.03326	31.4
106.04118	19.3
107.04900	14.4
108.02028	2.8
110.69945	1.2
115.27139	1.1
117.80952	1.2
119.04907	9.7
119.08542	14.5
121.02798	5.8
123.04452	1.8
123.08041	2.2
131.03595	1.6
134.03658	2.4
135.08057	2.4
137.09631	2.9
138.03107	6.5
143.04918	13.7
145.06438	2.0
147.07990	3.2
153.05412	1.3
156.05763	1.2
157.06548	9.8
159.03171	2.8
159.08060	20.5
161.05956	3.8
163.11185	1.2
166.02654	1.6
170.07292	1.6
173.06015	1.9
173.09567	1.4
174.06772	2.3
181.10872	1.3
183.08089	5.0
187.07799	1.2
189.12755	1.9
190.13109	5.0
191.02226	2.0
192.07529	1.3
197.09595	1.4
201.05490	1.3
205.08659	2.2
206.09003	3.1
207.08171	1.5
209.09644	2.9
210.05534	11.3
211.06200	2.3
211.11237	5.2
213.12764	7.6
214.04970	1.8
223.11212	3.7
225.12810	22.5
226.13159	1.6
229.55470	1.2
241.12300	1.6
242.13031	1.3
243.13872	21.3
244.14177	1.6
258.12683	2.8
269.11783	3.3
284.02591	3.3
287.12869	50.4
288.13223	3.3
296.12897	86.6
297.13242	6.0
299.04501	2.9
314.07205	4.2
314.14001	100.0
314.18314	16.4
315.14264	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	313.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28843	0.3
51.74178	0.3
57.03318	0.4
59.01241	1.3
60.14905	0.3
69.36758	2.7
71.01260	0.3
73.31116	0.3
85.02824	2.4
89.02346	0.6
91.78761	0.3
101.02287	0.3
108.02061	0.8
119.03445	0.3
121.02863	0.8
130.04132	1.3
145.02843	14.5
146.03694	2.2
147.02728	0.3
161.02327	0.7
173.02348	7.1
174.03131	43.8
175.03482	1.6
178.02635	2.0
206.02139	36.7
207.02472	1.5
212.10742	0.6
213.05688	0.3
214.06323	2.2
222.09370	0.4
239.07135	0.4
240.10159	0.8
253.09073	0.4
255.03015	0.4
255.10265	2.8
256.06680	0.3
295.13385	0.4
313.14447	100.0
314.14749	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	313.144
Annotation	Anisocoumarin F
Peak:m/z	Relative Intensity
53.33057	0.7
57.03325	0.9
59.01238	2.2
62.90219	0.7
71.01248	1.6
72.49056	0.7
85.02826	4.3
89.02323	1.0
91.02076	1.5
98.19796	2.4
104.02530	2.1
121.02831	1.1
133.02832	1.0
145.02852	2.2
148.01529	1.8
161.02307	2.1
171.08034	1.0
172.08856	4.2
187.07558	3.0
188.08331	3.2
189.01790	3.8
190.02705	1.1
199.07552	9.1
200.08063	0.8
201.01874	5.3
201.05424	2.8
203.03401	4.9
216.07855	2.7
227.07031	4.2
229.05008	5.2
230.28223	0.9
243.04089	1.1
243.06581	24.7
244.07352	100.0
245.07961	14.2
264.26089	0.9
313.14432	5.5
313.23593	7.9
314.14047	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	313.1444
Annotation	(-)-(aS,9S,9'S)-Alnusdiol
Peak:m/z	Relative Intensity
53.01221	0.3
57.03315	0.9
59.01251	2.1
60.77353	0.3
63.49401	0.3
71.00556	0.8
71.01238	0.8
81.83366	0.3
85.02817	4.0
89.02310	0.8
89.96104	0.4
101.02325	0.7
113.02359	0.5
113.60029	0.3
121.02840	1.3
125.02230	0.4
128.47607	0.3
130.08664	0.5
145.02875	0.7
147.14124	0.3
151.03780	0.5
173.02370	0.8
173.09634	3.1
174.03142	1.0
179.05501	0.4
183.13867	0.5
187.03928	1.6
188.04657	0.8
196.11319	0.4
197.06090	0.5
199.03911	1.3
201.05530	0.5
206.02168	0.8
212.08350	0.4
220.03653	0.6
224.04744	0.4
225.05550	2.8
226.05869	0.3
227.07066	2.0
228.07793	2.4
229.08615	1.5
235.11023	0.5
235.18280	0.5
239.07071	2.8
240.07889	3.7
241.08687	5.6
242.09422	3.3
243.10078	0.8
243.13850	2.3
245.11852	0.5
252.08907	0.4
255.02757	0.4
255.10097	0.7
258.08850	1.0
258.12390	0.3
260.06900	3.1
264.07907	0.4
265.08826	0.4
267.13895	2.6
268.11111	0.5
272.06863	4.1
273.07349	0.4
274.08463	4.6
275.08765	0.5
279.10223	7.3
280.10605	0.6
281.11899	1.6
283.02469	0.4
283.13373	24.6
284.13690	2.0
287.95599	0.4
290.07886	0.7
295.13370	13.2
296.13498	1.2
298.04849	0.5
313.14438	100.0
313.23743	4.2
314.14404	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	313.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44684	0.4
57.03247	0.5
59.01200	1.0
65.00133	1.0
68.92702	0.5
70.85694	1.2
83.04869	0.9
85.02817	2.6
90.86356	0.5
91.01709	0.9
109.99922	1.6
117.02598	0.8
117.03339	9.6
119.01195	1.0
121.02774	1.0
134.03589	0.6
135.00754	4.4
136.57857	0.4
136.98630	1.2
137.02275	1.4
143.04881	0.9
147.04439	0.4
159.04439	0.9
159.08069	0.7
163.00264	18.1
164.00587	1.0
164.17421	0.4
164.98195	4.0
165.98892	1.3
168.44209	0.5
175.03859	1.0
179.05476	0.5
183.04428	5.3
184.15959	0.4
185.02339	1.4
195.04341	1.1
199.03815	0.6
211.03928	2.8
213.01767	1.3
227.03406	6.2
239.03438	1.2
255.02946	19.9
256.03323	1.0
283.02441	87.0
284.02780	6.1
296.13000	1.0
298.04797	100.0
299.05096	6.8
313.07156	50.4
313.14380	2.8
313.23627	1.1
314.07413	3.7
314.13916	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	313.0927
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
51.70968	0.6
52.92235	0.6
55.01756	0.9
57.03316	2.1
59.01241	4.7
70.67174	1.5
71.01249	16.6
72.99160	1.2
73.02822	4.3
83.01250	1.7
85.02820	17.2
87.00745	0.9
88.80032	0.5
89.02302	1.3
99.00751	2.1
101.02315	8.2
107.04901	100.0
108.05257	3.2
109.02837	1.0
111.00748	0.7
113.02339	6.8
129.01877	1.2
129.25636	0.5
143.03340	0.7
147.02892	1.3
147.36661	0.5
151.03918	5.6
151.07571	0.7
153.09029	0.5
159.02901	1.4
160.40269	0.6
161.04469	8.7
189.95775	0.6
191.01851	1.1
191.10777	0.7
241.30038	0.6
271.11761	0.7
313.09024	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	22.3
58.39623	4.1
59.01247	100.0
69.03339	7.2
71.01231	17.7
71.52511	7.1
72.99188	7.1
73.02819	10.4
74.61877	3.7
75.00766	4.2
83.04900	11.8
84.58784	3.8
85.02831	27.5
85.34904	3.8
87.59951	3.8
95.04883	6.5
97.06454	8.5
99.04386	8.7
101.02327	5.5
107.04868	5.2
109.06493	6.6
113.02320	9.7
113.05907	5.2
121.06484	3.5
123.08028	28.8
125.05951	8.3
133.06421	5.3
133.74419	3.8
135.04375	5.1
135.08049	4.9
137.09595	13.3
139.07541	5.5
149.09561	4.8
151.07532	9.9
153.09084	17.9
161.09541	4.7
163.11206	5.9
165.09097	19.3
176.08388	9.9
177.70717	4.8
179.10622	9.3
191.10721	21.2
209.11784	18.0
242.02092	5.5
253.10780	7.9
270.01724	7.0
271.02451	4.6
271.11917	15.1
271.33960	4.3
313.03607	24.3
313.12787	4.6
313.16797	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	313.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75106	0.7
55.01749	2.3
57.03320	13.6
57.92450	0.6
59.01250	5.9
66.16583	0.7
68.99715	0.9
69.79926	3.2
71.01251	2.5
72.99177	2.1
73.02826	0.7
74.01184	0.7
75.00735	2.1
83.01258	1.9
84.02043	2.3
85.02821	100.0
86.03149	2.1
87.00787	0.7
101.02295	1.7
103.00251	1.5
111.00735	2.6
115.00273	0.8
121.02823	6.7
129.01822	6.2
130.06436	0.6
147.02881	10.8
157.30330	0.7
191.01889	10.1
209.03488	0.8
259.25085	0.7
288.30811	0.8
312.49170	0.8
313.05862	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.1
55.01970	0.5
57.03051	0.8
57.03322	14.3
59.01250	7.7
59.18544	0.6
68.99669	0.8
71.01251	4.6
71.29061	1.0
72.99170	3.3
73.02821	1.5
75.00732	3.3
83.01249	3.7
84.02042	2.8
85.02820	100.0
86.03142	1.3
87.00748	1.3
89.02316	0.8
91.09924	0.4
98.26145	0.5
101.02336	1.6
103.00247	1.5
109.02798	0.6
111.00758	5.3
115.00215	1.0
120.55222	0.4
121.02817	7.7
129.01820	9.1
137.86488	0.4
138.10437	0.5
147.02896	13.3
163.02327	0.5
173.00833	1.5
191.01883	15.4
260.27917	0.5
285.52936	0.5
313.05579	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	313.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.2
59.01252	0.9
69.44736	1.3
71.01250	0.3
77.03835	0.2
85.02824	1.4
89.02309	0.5
93.03333	0.3
100.96114	0.1
107.37259	0.2
109.02849	0.3
121.02842	100.0
122.03164	3.1
130.04134	0.5
145.02773	0.3
145.83243	0.2
151.05946	0.2
163.00317	0.3
173.02455	0.3
173.09618	0.4
174.03139	2.7
179.05502	0.3
180.05696	1.0
181.06500	4.2
182.06808	0.3
191.01895	0.3
206.02126	2.2
211.07318	0.2
213.05598	0.2
225.05513	6.7
226.05821	0.5
227.07059	0.3
243.10216	0.2
243.13765	0.3
255.10309	0.3
269.08118	0.4
283.02451	0.7
295.13391	0.7
296.13007	0.3
298.05026	0.9
313.07172	13.8
313.14462	9.1
313.23627	0.6
314.07550	1.3
314.14014	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01241	5.1
60.09104	0.5
71.01249	1.3
71.52331	0.9
71.52706	0.7
90.64414	0.5
95.01300	0.6
97.06449	0.9
102.42257	0.6
113.09588	1.8
115.07556	1.1
119.04915	0.9
127.07587	0.8
128.08244	1.0
129.09081	0.9
139.11241	1.1
167.14301	3.3
171.10191	2.7
172.12982	0.6
181.12221	0.7
183.01112	3.0
183.13795	2.3
195.13786	9.5
196.14211	0.7
197.11702	0.7
211.13341	2.6
213.14894	1.2
240.07698	0.7
242.15154	1.1
247.17056	0.8
249.22148	0.7
263.50696	0.7
267.23273	0.8
275.20245	1.0
293.21136	9.7
311.13065	3.3
311.16708	7.4
311.22250	100.0
312.22675	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
53.44782	0.6
53.63758	0.6
57.03318	1.3
57.22298	0.5
58.00473	0.7
58.93656	0.6
59.01245	1.8
69.03320	0.8
71.21593	0.9
71.21921	0.9
94.76458	0.6
96.43237	0.5
99.08014	3.2
111.08031	0.8
111.90241	0.6
113.09597	2.8
127.11166	1.4
129.09106	7.5
131.81918	0.6
139.11169	2.6
139.95889	0.6
151.11143	0.9
153.12712	0.7
155.10730	0.9
167.10715	1.2
167.14339	1.0
169.12241	2.9
171.10191	12.1
181.12263	5.2
183.13785	2.7
185.11766	2.2
193.12285	2.3
197.11772	11.0
199.13364	5.4
201.11244	2.4
211.13335	19.2
212.13734	1.2
265.21774	0.8
266.22079	0.6
275.20267	2.9
283.00766	0.6
293.21210	16.6
311.22250	100.0
312.22552	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.2
58.03651	0.5
59.01257	5.5
62.96225	0.5
67.70224	0.5
69.03314	0.8
70.36419	0.4
70.90979	1.1
71.04905	0.5
82.21709	0.5
83.04884	0.8
103.44614	0.6
111.08036	3.6
121.08355	0.5
125.09612	0.8
127.11173	2.4
129.09102	0.8
139.11200	1.3
155.09766	0.3
155.10684	11.6
163.11139	1.1
171.10187	1.6
181.12260	12.0
182.12639	1.0
183.10202	7.4
195.13905	0.9
196.14240	1.0
196.29858	0.5
197.11790	1.8
197.14384	2.0
199.13315	2.6
211.13345	1.9
221.15518	0.8
222.15974	0.6
223.15938	1.8
225.13875	1.1
240.07884	1.5
267.04852	1.0
275.20038	1.0
280.78183	0.5
291.19760	0.9
293.20468	11.5
294.21088	0.6
311.11346	3.5
311.22226	100.0
312.12317	1.6
312.22598	9.8
313.78967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05434	0.8
57.03314	2.0
59.01241	2.5
69.17535	3.4
69.17954	5.9
99.08046	3.2
113.09586	3.1
129.09113	5.6
132.17578	0.7
133.64317	0.7
139.11156	2.6
147.93648	0.7
151.11189	0.8
154.09860	1.0
155.10654	2.1
165.12804	1.0
169.12289	2.0
171.10181	2.9
177.12877	1.0
181.12190	3.7
183.13824	2.7
193.12256	1.7
195.13843	2.4
197.11748	5.4
197.34264	0.8
198.11990	0.9
199.13297	2.7
211.13367	13.1
235.06117	0.7
249.22209	2.2
275.19952	1.0
285.66086	0.8
293.21219	41.9
294.21548	2.7
311.22253	100.0
312.22595	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.56846	0.7
56.11018	0.7
57.03315	2.2
59.01239	1.7
60.16932	0.7
66.45860	0.8
71.30028	1.6
83.04862	1.0
97.02828	0.9
97.06521	0.8
111.50931	0.7
121.10105	2.8
123.08012	1.5
125.09657	3.6
127.11179	5.8
137.09558	1.1
139.11182	17.2
140.11523	1.0
141.12828	0.8
155.10719	3.9
165.09099	1.6
167.10754	1.0
171.10175	77.7
172.10503	4.2
183.10164	6.6
185.11752	16.3
186.17886	0.8
190.56204	0.7
193.12213	1.3
201.11253	10.9
202.11475	1.0
211.13306	1.8
275.20163	7.0
293.21231	27.6
294.21585	3.4
311.22275	100.0
312.22604	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	1.0
58.00465	6.9
59.01235	1.3
65.01563	0.5
67.33561	0.4
69.03337	0.7
69.32938	2.6
69.33365	1.9
73.02804	0.6
104.48312	0.5
108.00330	0.5
109.06482	1.4
111.08064	0.6
121.10095	1.0
125.09582	4.4
127.07550	3.7
127.11175	6.4
137.09575	1.3
139.11147	1.1
154.03650	0.5
155.10681	3.7
157.12227	0.9
161.05194	0.5
161.34944	0.5
165.09108	2.5
168.41841	0.5
171.10175	6.0
181.12254	2.3
183.10164	2.0
183.13803	11.6
195.13763	0.8
197.11632	0.9
199.09668	1.5
201.11249	47.4
202.11613	2.5
211.13388	1.5
213.14944	2.6
223.13371	0.7
241.14397	3.7
275.20108	4.2
293.21170	6.3
311.22241	100.0
312.22586	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.38490	0.5
52.44815	0.6
53.38892	0.6
57.03313	2.0
58.00458	0.7
59.01238	1.9
69.03306	0.9
70.54408	1.7
70.54778	0.7
83.04900	1.4
84.87186	0.6
87.25819	0.6
92.16922	0.6
97.03789	0.6
98.20533	0.7
99.08020	3.2
109.06522	0.6
113.09590	3.9
125.09610	0.7
127.07525	0.8
129.09106	7.0
132.64067	0.7
139.11183	2.4
151.11284	0.8
153.09052	0.8
153.12706	1.4
157.66771	0.6
163.11214	0.7
165.12782	0.9
167.14322	0.7
168.00168	0.5
169.12253	2.8
171.10124	6.3
177.12657	0.8
181.12215	4.3
183.13792	2.3
185.11848	0.7
193.12225	3.5
197.11746	11.5
198.36749	0.6
199.13309	5.4
211.13321	21.2
212.13655	1.5
227.12740	0.7
275.20203	2.6
293.21216	18.5
294.21481	1.0
298.04745	0.6
311.22263	100.0
312.22641	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80402	0.5
51.91548	0.6
59.01248	100.0
63.22369	0.6
63.95746	0.6
64.59636	0.6
71.01258	3.3
71.52408	0.8
73.02809	0.8
83.01288	0.8
85.02824	1.3
99.00755	0.7
101.02352	2.1
111.00741	0.7
121.02837	1.3
134.03687	0.8
157.70067	0.6
161.04449	1.3
167.03529	0.7
183.01154	0.9
189.26074	0.7
269.10419	2.3
289.52887	0.6
311.10492	2.4
311.17215	1.5
311.29672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1286
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
57.03316	0.7
59.01245	2.6
67.14984	0.3
71.31284	0.3
71.52088	0.5
83.04891	15.6
85.02822	0.4
85.49600	0.3
99.08023	0.4
111.07997	0.5
113.09615	0.5
123.08006	0.8
130.04181	0.6
131.04866	0.6
145.02841	6.5
146.03568	0.9
147.04411	1.0
155.10660	1.1
161.02335	0.7
169.12036	0.3
171.10193	1.4
173.02353	3.0
174.03133	18.6
175.03912	10.6
175.05150	0.2
176.04298	0.7
178.02525	0.8
181.12248	1.1
183.01109	1.2
183.08054	1.0
183.10187	0.8
183.13701	0.6
187.03905	1.7
197.11749	0.7
199.07599	0.6
199.13261	0.4
201.11244	0.4
206.02135	16.4
207.02472	1.0
211.13232	2.0
213.05522	1.1
214.06248	0.9
215.07091	2.1
227.07097	6.7
228.07681	0.8
241.08588	0.7
265.12286	0.5
283.10791	0.4
283.13321	2.1
293.11816	0.3
293.21176	4.4
311.12872	100.0
311.22241	22.7
312.13217	9.1
312.22531	1.4
312.84357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.7
59.01246	100.0
60.48380	0.5
69.03335	2.3
69.32387	4.8
71.01254	6.0
73.02818	2.2
83.01273	0.8
85.02831	4.1
87.00745	0.6
87.83553	0.5
95.01254	0.6
97.02847	1.6
98.20504	1.0
99.00757	0.8
101.02316	3.9
107.01231	3.0
113.02332	2.2
117.48927	0.6
121.02838	1.7
125.02338	3.3
143.03384	0.6
151.00237	4.6
159.02927	0.6
161.04424	2.9
166.02612	22.9
167.03070	1.2
167.90678	0.6
184.67038	0.5
193.04997	2.4
215.20407	0.7
223.06157	0.6
242.12581	0.6
269.10397	2.8
281.09189	1.1
283.06320	0.6
311.07721	4.2
311.10861	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2797
Annotation	ent-8alpha,15-Labdanediol
Peak:m/z	Relative Intensity
53.27700	1.0
53.46335	1.0
54.03243	1.4
54.28128	1.5
57.03312	2.8
59.01232	2.3
69.21664	3.3
69.22091	8.5
71.01240	5.3
72.02028	3.4
72.47603	1.0
73.02789	1.2
79.95594	1.5
87.04384	6.9
96.95901	6.7
98.19841	2.7
209.15315	2.8
265.25351	55.0
266.25674	5.8
279.26971	13.4
280.27179	1.5
280.91891	1.2
307.26465	3.5
309.17508	13.2
309.27972	100.0
310.28342	11.2
320.39270	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2068
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01734	1.6
57.03299	3.4
59.01228	6.8
67.01745	1.6
69.03321	3.0
69.83638	3.2
69.84036	4.6
70.34349	1.4
71.04879	3.0
80.02549	16.8
81.03320	6.8
83.04893	34.5
84.02016	13.0
85.02853	1.4
90.07482	1.3
95.04856	2.1
97.06461	6.8
98.19869	1.9
99.08041	7.9
103.48142	1.4
109.06467	3.5
111.07990	4.1
113.09599	4.6
115.07521	4.7
123.04394	2.6
123.08057	1.6
125.09593	10.5
127.11147	6.4
135.08035	2.2
137.09615	62.8
138.09953	4.1
139.11169	12.0
151.07500	2.9
151.11183	2.6
152.08261	3.2
153.09109	7.9
155.10674	62.7
156.10941	3.6
157.53368	1.3
167.10675	4.7
169.12279	2.4
171.10170	74.4
172.10521	4.0
193.12259	33.2
197.11661	7.9
209.11792	9.9
209.15320	3.2
211.13388	10.2
234.12781	1.7
247.20576	8.2
263.20090	6.5
265.18616	1.5
265.21747	4.5
273.18631	2.4
291.16287	2.8
291.19647	94.0
292.19934	11.8
309.17337	5.3
309.20660	100.0
310.21005	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92724	1.6
53.74558	1.7
57.03325	22.0
59.01245	12.3
69.03320	5.1
69.61674	11.5
71.01248	14.1
71.04913	2.5
80.02509	2.2
83.04893	7.9
95.04894	3.6
97.06464	7.5
109.06449	2.2
111.08060	9.4
113.09609	13.7
123.08017	2.2
125.09599	4.4
127.11205	2.1
137.09563	1.8
139.11201	3.9
147.11674	1.8
147.56342	1.6
149.09625	2.8
151.03847	3.1
151.07532	7.1
151.11185	47.3
152.08263	3.6
152.11507	2.8
153.12767	3.9
161.09636	1.8
163.11192	6.3
165.12764	40.6
166.13164	2.4
167.10635	4.5
171.10112	3.3
177.09097	2.7
179.10738	8.7
179.14201	3.2
181.12257	48.3
182.12590	2.3
183.13797	1.9
191.10728	19.4
192.10968	2.5
195.10162	2.6
197.11739	7.4
209.11761	100.0
209.15373	8.3
210.12148	5.0
211.13345	9.5
227.12866	2.6
247.20613	12.3
252.10062	1.7
263.20117	4.5
265.21689	7.2
273.18665	3.1
281.21201	6.4
291.19669	33.0
292.19781	2.1
309.14749	1.5
309.16956	8.5
309.20496	32.4
310.20993	3.4
311.21039	2.3
318.46423	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	309.207
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.83663	1.6
57.03327	25.6
59.01247	13.4
61.88610	1.7
69.03318	4.7
70.84849	1.9
70.85198	4.0
71.01244	11.4
71.04882	3.2
80.02541	3.9
81.03362	2.4
83.04885	6.3
95.04893	4.9
97.06442	5.9
99.26892	1.7
104.86813	1.5
109.06476	2.5
111.08027	9.7
112.43831	1.5
113.09599	15.3
125.09613	3.4
137.09637	2.2
139.11201	1.7
141.61909	1.5
145.10139	2.1
149.09645	2.9
150.30260	1.6
151.03857	2.7
151.07584	4.1
151.11192	40.6
152.08334	3.7
152.11484	2.8
153.12755	2.9
155.10709	2.8
163.11151	7.0
165.12752	40.5
166.13049	2.0
167.10640	3.6
179.10707	10.9
179.14214	1.9
181.12254	45.0
191.10716	19.3
197.11713	4.7
209.11768	100.0
209.15375	8.8
210.12091	5.4
211.13319	7.5
225.84119	2.1
227.12817	3.0
247.20621	9.6
248.20758	2.1
252.10274	1.8
263.20163	6.1
265.18030	2.5
265.21692	9.3
273.18567	2.3
281.21191	6.9
291.19653	25.3
292.19714	2.8
309.17032	10.1
309.20667	30.9
310.20972	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.2
55.53547	0.9
57.03305	2.0
59.01238	3.7
69.03296	1.3
69.18861	9.4
71.04887	1.5
80.02553	2.4
81.03326	2.8
83.01257	9.2
83.04885	3.9
83.11845	0.8
89.06751	0.8
95.04880	2.7
97.02820	2.1
97.06436	3.5
98.03592	1.2
107.66836	0.9
113.09573	0.9
115.07504	1.0
123.04388	4.0
123.08055	4.7
125.05930	1.7
125.09601	11.3
127.11120	1.2
135.08057	1.2
137.09563	1.1
139.11179	9.9
141.09079	2.4
149.09604	1.2
151.11157	1.5
161.09650	1.2
163.11171	8.3
163.44383	0.9
165.09117	1.2
165.12762	17.2
167.10684	7.1
168.11436	0.9
171.10190	1.5
173.61952	0.8
175.11284	0.8
181.12238	4.1
183.13863	1.1
185.11679	1.1
191.10683	3.7
193.12260	1.5
193.15909	5.8
197.11853	1.3
207.10258	1.3
209.11763	55.9
210.12094	2.9
225.11369	1.2
247.20630	12.7
248.20876	1.0
259.99860	1.0
265.21646	2.9
273.18567	3.3
281.21375	1.8
291.19659	100.0
292.19946	8.5
309.17603	1.3
309.20660	31.8
310.20987	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05944	0.9
51.72039	0.7
57.03299	1.9
58.00458	1.7
59.01239	1.4
59.53571	0.7
65.67759	0.8
69.03297	0.9
69.55640	4.0
69.56059	1.5
77.21282	0.9
111.08035	31.5
112.08343	1.2
127.07529	1.7
137.09618	0.9
153.09053	1.0
153.12762	1.4
169.12286	5.9
179.10706	1.1
181.12190	2.9
183.13774	0.8
189.42203	0.7
197.11755	100.0
198.12080	6.8
199.13408	4.0
199.87921	0.9
205.15645	0.9
211.13319	11.5
226.21710	0.8
227.12758	2.3
263.20120	7.4
265.18130	2.3
273.18591	2.6
291.02530	0.8
291.19675	18.8
292.20071	1.6
309.20670	35.4
310.20975	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	1.4
57.03334	3.7
59.01250	8.9
61.98733	1.0
69.03362	2.0
69.27484	3.8
69.27914	3.2
69.79927	0.8
71.01277	1.3
71.04522	0.8
71.04889	17.6
77.07352	0.8
78.08685	0.7
83.04906	1.6
83.06742	0.8
85.06542	1.0
91.04141	0.8
93.07006	0.8
95.04946	1.5
97.06479	6.0
107.04948	2.8
111.08069	4.5
112.08427	0.7
117.03398	1.8
117.74922	0.9
119.08599	2.1
121.10127	11.5
123.04436	1.3
123.08109	2.2
125.09604	9.8
135.08078	1.5
137.09618	22.4
141.12793	1.6
147.06929	1.0
147.08102	1.2
148.21899	1.0
151.11304	1.3
153.12810	0.8
169.12367	1.9
171.10175	46.1
172.10529	2.0
181.12288	1.8
183.10208	1.3
185.11761	15.2
186.12074	1.0
190.99844	1.2
195.14015	0.8
197.11754	17.4
197.13539	1.1
198.12270	1.1
207.13847	2.2
209.11879	1.6
211.13336	3.3
217.15752	0.8
219.13855	3.2
221.15370	1.1
233.15437	1.6
235.16960	2.9
237.14935	3.9
239.16469	1.2
247.20633	2.9
251.16499	40.6
252.16872	3.1
263.20190	1.4
272.01981	0.8
273.18643	2.5
281.04520	1.6
291.19647	100.0
292.19995	8.9
309.03943	5.3
309.20682	85.8
310.21042	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	309.2069
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03317	2.5
59.01244	3.0
59.54747	1.1
67.01752	1.9
69.03345	1.0
71.01504	2.2
75.92690	1.5
93.07019	1.3
97.06492	1.7
111.08001	1.3
112.03349	1.0
121.10109	12.2
125.09618	10.4
137.09622	2.8
147.08041	0.9
149.13965	1.0
152.01489	1.0
167.14281	1.6
171.10196	5.2
176.67482	1.1
185.11731	10.1
186.12054	1.2
197.11705	6.2
209.11787	2.0
211.13332	73.5
212.13695	4.8
253.67505	0.9
291.19653	100.0
292.20096	9.3
309.20712	5.8
309.65860	1.0
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
50.42626	1.1
52.83142	1.1
57.03322	10.1
59.01249	6.1
67.07752	1.0
69.03324	2.3
70.39411	3.2
70.98405	1.0
71.04900	6.5
77.60091	1.0
81.03284	1.1
83.04897	6.7
85.06455	7.0
87.04375	4.3
97.02829	3.8
97.06442	2.3
101.78953	1.2
109.06466	3.9
111.04379	3.1
111.08035	1.9
113.05998	1.3
127.07547	1.4
128.73647	1.1
137.09528	1.2
146.26590	1.1
149.09535	1.6
167.10614	1.9
171.10129	2.1
179.14365	5.5
181.12224	1.8
195.13835	28.1
196.14169	2.6
205.12296	3.3
216.04190	1.0
219.13837	1.2
221.15395	24.6
222.15825	1.4
223.13326	14.1
223.16873	1.3
224.13808	1.4
229.19691	1.5
233.15305	2.2
235.16882	1.2
239.16490	6.2
247.20650	4.1
251.16377	2.6
273.18518	3.3
281.21228	1.5
290.99182	1.2
291.19650	87.7
292.19977	9.6
309.20685	100.0
310.10931	2.9
310.21103	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92963	0.8
54.26034	0.9
57.03287	0.8
59.01244	1.9
63.21268	0.8
69.03332	0.8
69.98154	3.6
69.98526	2.0
71.04890	2.3
71.46431	0.8
73.26340	0.9
74.35614	0.9
76.36446	1.0
83.04884	1.0
93.06932	0.9
109.06416	1.1
111.08040	38.0
112.08383	1.0
127.07523	1.5
131.99001	0.7
137.09645	1.4
151.11095	1.3
153.12750	1.1
164.90359	1.0
169.12210	5.9
171.10187	4.4
181.12233	1.9
183.13727	1.9
193.12294	1.4
197.11757	100.0
198.12086	5.9
199.13353	2.9
211.13377	10.4
219.93280	1.0
227.12860	4.1
245.33067	0.9
247.20694	1.3
251.16417	1.7
263.20135	5.1
264.20129	0.9
265.18042	3.6
270.41223	1.1
273.18613	2.1
291.16296	1.5
291.19632	25.0
291.22720	1.7
292.19965	3.0
309.20688	37.9
310.21036	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	309.1189
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01749	1.4
55.15274	0.7
57.03337	1.5
58.00472	1.4
59.01249	69.2
61.97305	0.7
71.01252	28.3
71.04881	2.3
71.28768	0.7
71.50947	1.0
72.99172	2.3
73.02821	4.0
75.00739	1.3
81.81393	0.7
83.01254	1.6
83.04887	1.3
85.02829	8.9
87.00745	1.3
89.02319	19.1
95.01255	2.1
99.00744	1.4
99.04381	3.1
101.02315	16.6
107.39043	0.8
111.04414	1.0
113.02324	8.6
118.11684	0.8
119.03398	10.5
119.04873	1.0
128.03430	0.7
129.01820	0.7
129.05458	8.7
143.03433	1.3
147.06538	9.8
161.04457	3.1
184.57475	0.7
237.06067	1.0
267.10837	2.6
275.10101	0.8
291.10645	0.9
301.50790	0.8
309.11887	100.0
310.12265	5.1
312.34048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0926
Annotation	N-Demethylcrychine
Peak:m/z	Relative Intensity
50.88092	0.4
52.96826	0.4
59.01238	1.9
59.87651	0.4
60.97942	0.5
61.98674	0.5
71.01254	0.5
71.32260	0.8
79.56875	0.4
87.85636	0.4
97.06455	0.6
111.08021	1.8
123.08018	0.4
125.09570	0.8
126.28448	0.4
137.09628	0.5
146.66277	0.4
151.03906	1.0
151.07509	1.2
152.08287	1.1
169.12302	0.5
171.10147	1.6
185.11775	0.8
197.11737	5.9
200.03406	2.3
209.11754	0.6
209.15448	2.1
211.13322	1.1
222.09245	1.0
224.07101	0.7
225.04280	0.7
226.04895	0.5
241.03712	0.6
246.09166	0.8
247.06358	0.7
247.72516	0.5
248.07187	0.8
250.05005	2.1
261.08038	0.8
262.08701	3.2
264.06674	1.4
264.10275	2.6
265.03812	4.2
265.18048	0.6
266.04474	1.3
266.08173	3.0
276.06613	0.7
278.04602	5.5
280.09863	0.5
289.07590	0.6
290.08258	7.7
290.18417	1.6
291.08453	0.6
291.16446	0.7
291.19626	3.7
292.06134	15.3
293.06882	5.0
306.07584	0.5
308.09256	100.0
308.19073	3.7
309.09573	10.2
309.17059	2.9
309.20697	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	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
52.36717	0.7
59.01230	2.7
70.38696	2.2
71.01240	1.0
82.14272	0.7
89.02279	0.7
117.93217	0.7
142.24678	0.8
181.55019	0.7
289.18130	1.0
307.22760	100.0
308.23105	9.0
311.58759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.264
Annotation	2beta,15-Dihydroxylabd-7-ene
Peak:m/z	Relative Intensity
52.57438	3.7
57.03312	9.3
57.31710	4.5
59.01239	6.8
67.92869	4.0
71.01248	22.5
71.29424	7.2
72.02041	25.6
73.02810	6.7
73.69771	3.1
81.03359	4.2
87.04388	100.0
95.04908	3.5
99.04407	5.5
139.07545	7.3
141.96092	3.7
145.70763	5.0
153.09035	4.1
155.14337	20.4
169.15829	9.8
177.61069	4.0
178.63797	4.0
241.14958	3.5
249.62666	4.3
263.23782	62.1
271.24298	5.9
277.25421	14.5
289.25296	26.1
301.92014	3.3
305.24890	5.5
307.26398	86.6
308.26849	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	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77971	2.3
55.54229	2.1
59.01241	3.9
61.15638	1.9
71.39325	4.1
76.32623	2.3
81.03320	4.6
83.01254	5.7
83.04877	3.7
90.87428	2.2
95.04890	2.7
97.02810	5.4
97.06470	9.1
105.28310	2.1
109.06469	2.9
123.04410	9.5
125.09593	16.7
126.06155	1.8
129.68089	1.8
135.08052	3.1
137.09621	15.0
137.68393	1.8
141.12735	2.7
142.02570	2.7
149.05980	2.5
157.80112	2.1
163.11162	14.8
165.12735	3.6
171.10170	4.0
181.12233	4.1
182.52829	2.4
185.11769	24.7
191.10641	2.9
191.14308	21.2
207.10144	8.6
209.11752	29.5
210.12062	2.3
225.11223	8.5
243.17528	2.7
245.16692	3.5
245.19066	41.7
271.16962	5.5
272.81021	2.4
289.18082	100.0
290.18494	4.9
295.56885	1.9
307.19162	53.5
308.19275	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	307.1914
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.82872	2.5
54.60179	2.3
57.03316	11.6
59.01241	8.9
69.03339	2.6
70.65981	4.9
70.66314	4.2
71.01240	9.0
75.17075	2.2
77.25589	2.8
80.02560	2.8
80.24178	2.4
83.04876	2.9
95.04916	2.8
97.06453	13.9
104.44149	2.5
109.06469	5.3
111.08006	10.0
123.04356	3.9
123.08063	2.8
125.09635	4.2
127.11150	3.0
137.09595	3.2
149.09615	3.8
151.11143	16.1
153.09114	4.9
153.12741	5.6
155.10664	12.4
163.11220	7.7
165.12727	19.9
166.09911	2.5
167.10637	5.4
169.12259	3.9
177.12749	4.4
179.10703	4.5
181.12250	22.9
191.10701	11.4
191.14275	9.6
197.11725	3.1
205.12244	2.8
209.11751	47.1
211.13237	7.9
224.10388	3.1
245.19058	34.0
246.19186	4.3
261.18597	3.1
263.20123	9.8
271.16943	5.6
279.19586	5.0
289.18143	40.2
290.18576	3.2
307.19128	100.0
308.19528	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	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03451	2.0
57.03325	13.0
59.01249	12.8
69.03323	5.2
69.50823	7.1
69.51242	9.9
71.01249	11.7
80.02516	3.8
82.11883	1.9
83.04883	8.1
94.84930	1.9
95.04894	3.8
97.06461	23.0
101.26434	2.3
106.04147	2.6
107.08526	2.2
109.06464	6.5
111.08020	13.2
121.06518	2.3
123.04386	4.2
123.08080	2.5
125.09605	5.6
127.11141	2.4
129.03664	2.4
135.07979	2.2
137.09610	3.5
149.09622	6.8
151.11186	27.7
153.09065	6.3
153.12773	2.9
155.10640	12.8
163.11185	7.1
165.12750	33.5
167.10645	4.4
168.11469	2.5
169.12257	2.8
171.10190	2.5
177.12700	4.1
179.10733	10.7
181.12271	39.2
185.11734	5.6
185.51166	2.6
191.10716	14.3
191.14334	12.7
195.13921	2.4
197.11696	5.1
205.86769	2.0
209.11757	69.2
210.12149	2.6
211.13332	14.6
239.09250	3.5
245.19061	39.6
246.19412	4.0
261.18524	2.2
263.20154	12.4
271.17047	4.8
279.19623	4.7
288.53897	2.3
289.18085	51.2
290.18378	4.8
307.19113	100.0
308.19434	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77944	1.7
57.03315	6.2
58.83915	1.4
59.01252	13.6
69.03320	2.0
71.01276	5.7
80.02559	1.9
81.03323	4.9
83.01254	6.6
83.04900	2.3
84.02032	1.7
92.79578	1.5
93.03306	1.9
95.04877	4.1
97.02818	5.4
97.06474	7.9
98.15055	1.4
98.77587	1.4
105.70898	1.6
109.06467	2.5
111.08015	1.9
114.50160	1.7
121.06460	3.4
123.04410	7.1
123.08049	5.0
125.05929	1.6
125.09620	15.9
135.08044	2.2
137.09631	12.8
138.17996	1.6
141.12744	2.6
149.05945	3.0
151.11183	2.3
163.11177	13.6
165.09157	2.2
165.12747	3.5
171.10182	4.0
177.12689	2.0
179.10661	2.6
181.12213	4.6
185.11789	24.2
191.10617	2.5
191.14354	16.6
207.10268	8.4
209.11766	25.2
217.15858	2.5
225.11269	7.7
245.16722	3.0
245.19101	39.6
246.19220	3.0
261.18369	1.8
263.19998	2.2
271.17035	5.8
289.18088	100.0
290.18295	7.2
307.19089	52.5
308.19473	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	307.1913
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03336	0.5
59.01245	3.9
64.36675	0.4
68.22207	0.3
69.03358	0.7
69.80595	1.5
71.01277	0.8
71.04890	5.5
80.02563	0.8
81.03327	2.1
82.74108	0.4
83.04900	1.8
85.06426	0.3
93.03354	0.5
95.04910	1.8
97.06498	0.8
98.03637	1.5
106.04144	0.7
107.04910	0.5
109.02841	0.5
109.06465	13.0
110.06802	0.5
111.04401	6.7
111.08073	1.6
112.05219	0.7
120.05699	0.5
121.06461	0.8
121.10135	0.4
123.04443	0.6
123.08070	1.1
125.09618	0.5
127.07569	3.5
129.09125	0.4
132.29639	0.4
135.11795	0.4
137.06000	0.7
137.09669	1.0
143.10716	1.3
145.06462	2.2
147.08162	0.4
149.05983	1.1
149.09663	1.4
151.11234	0.8
167.10692	2.5
177.12845	0.6
179.10713	1.5
191.14378	0.8
195.13808	3.8
205.16083	0.9
207.17435	0.5
235.13298	1.8
245.19069	5.7
246.19368	0.8
247.16963	0.5
249.14748	0.6
251.16443	1.3
261.18555	1.3
263.20322	0.4
271.17032	1.6
273.14938	0.7
287.16461	1.8
288.16418	0.4
289.18079	100.0
290.18405	9.3
307.10431	0.7
307.19116	13.7
308.19370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82293	1.6
54.81680	1.8
56.71488	1.7
57.92727	1.7
59.01249	19.8
69.03320	2.4
70.08966	8.0
71.01249	5.5
81.03322	2.5
83.04886	4.4
95.04906	2.2
97.06473	3.9
98.03635	2.8
99.08027	5.7
100.62534	1.7
106.04098	3.6
108.86916	1.7
109.02813	3.9
109.06483	3.8
111.08016	2.8
111.90436	1.7
113.00245	2.1
118.34394	1.6
121.02897	2.1
121.06482	4.2
123.08018	4.0
125.05912	1.7
125.09586	6.8
127.07529	23.6
127.08377	3.5
132.96613	1.8
135.08038	8.0
137.09628	6.0
149.09628	1.8
151.11169	11.4
153.09048	4.2
171.10175	13.2
177.12720	4.4
179.10655	3.4
185.11732	9.8
191.14313	3.2
191.43486	1.9
193.12221	3.5
195.13774	2.2
209.11760	3.8
211.13339	6.8
223.13385	4.8
233.15451	2.8
245.19098	19.6
250.05040	2.3
261.18457	3.1
263.20099	6.5
265.03711	2.7
267.12274	2.4
271.17072	2.2
278.04718	3.0
289.18079	79.4
290.08243	7.5
290.18396	6.9
292.06201	10.4
293.06943	3.2
307.19116	100.0
308.09265	81.0
308.19296	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1398
Annotation	NSC-224070
Peak:m/z	Relative Intensity
57.03324	0.9
59.01248	100.0
67.47468	0.9
70.09232	1.7
70.09637	1.9
71.01247	11.7
73.02807	1.8
83.01242	1.1
85.02807	3.4
87.00728	1.5
89.02311	11.8
99.08011	6.6
101.02309	7.6
113.02328	4.1
119.03368	3.5
127.07560	1.1
127.55652	1.0
141.09064	1.3
145.08588	20.3
161.04468	1.7
263.35339	0.9
265.11884	1.6
307.13950	41.9
308.14322	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.5
58.81612	1.1
58.85331	0.9
59.01245	8.4
61.58805	1.0
65.03833	15.8
69.03326	2.0
71.01244	3.3
71.04881	8.9
73.02811	1.0
75.71642	0.8
78.55798	0.8
79.05369	2.0
80.02533	3.0
81.03316	1.1
83.04893	4.3
86.87372	1.0
88.79877	0.9
89.02299	1.1
93.03333	22.1
93.06979	1.5
97.06467	18.5
98.20560	2.3
106.04099	2.9
107.04941	1.0
107.08584	1.0
109.06452	3.2
111.04417	2.6
111.08043	1.9
115.05413	1.4
117.06989	19.6
117.17467	1.0
118.07308	0.9
119.04915	4.1
119.08543	32.7
120.05695	5.2
120.08839	1.2
121.06470	26.8
123.08015	2.8
125.09610	23.5
126.09958	1.3
126.91920	0.8
133.06447	5.4
134.06001	2.3
135.08047	100.0
136.08359	3.6
137.09599	4.0
145.02968	1.0
161.04424	2.6
163.11215	1.0
166.77213	1.0
171.10170	77.0
172.03955	1.8
185.11726	19.4
186.12041	1.4
209.09891	1.6
209.11771	18.1
211.13307	8.5
235.13344	19.9
237.14990	1.6
245.19020	4.0
249.15012	1.6
252.13605	1.5
261.18518	2.1
271.17099	3.2
275.11859	1.3
279.19675	5.3
289.18066	64.8
290.18393	7.0
292.74667	1.0
307.10681	1.9
307.19131	38.0
307.22665	2.2
308.19489	3.9
319.61722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89336	0.8
55.85659	0.7
59.01248	100.0
60.01580	1.1
63.34605	0.8
66.03321	0.8
71.01248	3.9
71.52130	1.1
72.99156	1.2
73.02811	0.8
85.02806	1.3
85.89404	0.7
87.00721	1.5
89.02306	3.0
96.95289	1.5
96.95885	27.2
99.04336	1.0
101.02318	2.6
101.13924	0.8
102.05514	0.9
113.02339	1.5
119.03341	1.5
123.71088	0.8
128.03403	1.3
133.02802	0.9
134.03185	1.2
146.04439	2.7
161.02277	1.6
177.09451	11.3
227.12843	6.6
265.11053	2.2
307.08487	27.0
308.08365	2.5
322.91937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.67108	1.5
71.01258	16.5
71.51962	1.7
71.52557	2.8
73.02803	1.6
85.02811	6.4
85.73199	1.7
87.00767	2.3
89.02308	11.0
99.00748	4.8
101.02306	10.3
104.83252	1.6
113.02310	5.8
119.03376	4.2
120.99529	17.7
130.49300	1.8
132.02895	5.0
143.04625	1.6
145.08585	4.4
147.09918	2.1
161.04420	2.5
219.10539	2.5
265.12762	2.8
307.07886	1.9
307.11218	1.7
307.14069	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	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00440	0.4
59.01251	2.6
60.09045	0.4
61.91710	0.4
71.01250	1.4
71.07852	0.6
71.08179	0.5
74.98941	4.2
87.04393	0.6
91.02087	3.2
93.00018	4.0
95.48044	0.4
101.02316	0.8
113.02334	0.4
120.85181	0.4
149.00819	3.0
159.08377	7.2
161.04405	0.5
161.06274	2.2
192.98140	0.5
198.58522	0.4
206.99577	1.4
209.01205	2.3
217.07158	0.8
220.42679	0.4
222.27681	0.5
223.02771	47.9
224.02757	4.1
225.00519	0.6
241.03867	1.3
245.19232	0.4
263.23773	0.6
275.05923	0.8
289.07568	1.7
289.17963	0.9
291.09088	100.0
292.03635	0.4
292.09177	10.0
307.12543	2.7
307.19180	1.4
307.26266	0.9
309.10117	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	307.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89336	0.8
55.85659	0.7
59.01248	100.0
60.01580	1.1
63.34605	0.8
66.03321	0.8
71.01248	3.9
71.52130	1.1
72.99156	1.2
73.02811	0.8
85.02806	1.3
85.89404	0.7
87.00721	1.5
89.02306	3.0
96.95289	1.5
96.95885	27.2
99.04336	1.0
101.02318	2.6
101.13924	0.8
102.05514	0.9
113.02339	1.5
119.03341	1.5
123.71088	0.8
128.03403	1.3
133.02802	0.9
134.03185	1.2
146.04439	2.7
161.02277	1.6
177.09451	11.3
227.12843	6.6
265.11053	2.2
307.08487	27.0
308.08365	2.5
322.91937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	4.9
58.00459	2.0
59.01245	74.4
69.03324	2.1
71.01250	36.5
71.51357	1.4
71.51749	1.5
72.99156	2.4
73.02813	56.9
82.92250	1.1
83.01254	13.0
85.02816	39.9
87.00758	2.2
88.03910	1.3
89.02303	8.4
89.96561	1.0
90.95267	1.0
96.14046	1.0
99.04398	2.0
101.02317	30.1
103.03880	59.6
104.04235	2.1
113.02324	6.9
114.02578	1.5
117.05457	1.4
119.03390	3.1
120.99544	1.5
121.30939	1.2
131.03358	1.5
143.03372	1.7
145.04968	2.8
149.04486	1.3
150.42848	1.4
156.03703	1.0
157.03026	1.6
161.04485	4.4
175.04118	2.2
224.87712	1.2
247.08218	5.0
265.09320	10.5
307.10364	100.0
308.10760	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90842	0.3
59.01245	0.9
60.97400	0.3
61.32769	0.3
69.07581	0.2
69.66434	1.5
71.01263	0.5
74.98943	4.8
85.02827	0.3
87.04406	0.5
91.02083	2.7
93.00003	3.4
96.25063	0.3
114.03252	0.3
149.00826	2.4
158.61794	0.2
159.08362	7.7
160.08559	0.3
161.04486	0.3
161.06319	1.8
166.07629	0.3
192.97981	0.8
206.99625	1.2
209.01135	2.4
210.01241	0.3
217.07167	0.6
223.02765	52.2
224.02831	4.0
225.00726	0.6
241.03873	1.0
245.19038	0.4
263.23755	0.3
275.05771	0.5
289.07556	1.8
289.18073	0.7
291.09067	100.0
292.09195	10.8
307.12314	3.4
307.19214	0.5
309.10190	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	306.161
Annotation	Arboflorine
Peak:m/z	Relative Intensity
51.41138	0.3
59.01276	1.2
62.62823	0.4
71.04935	0.4
71.21774	0.7
71.82194	0.4
73.46002	0.3
103.30991	0.3
104.42342	0.4
106.06504	10.3
107.06932	0.4
109.06497	0.8
132.04500	0.6
135.08047	0.8
136.08414	0.6
142.06517	1.6
163.08678	100.0
164.09052	4.0
179.70323	0.4
197.19533	0.4
289.15198	0.6
289.18103	7.4
294.41147	0.3
306.15991	25.5
307.16132	2.2
307.19089	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.5
59.01231	5.5
59.22866	1.2
67.51937	1.1
69.03313	2.1
71.01242	4.3
71.52608	1.9
80.14252	1.1
80.52257	1.1
81.03337	1.3
83.04897	1.8
95.04886	1.4
97.06477	4.5
109.06509	1.9
111.08004	3.1
121.06461	1.3
125.09607	2.0
135.81679	1.2
137.09595	2.0
149.21529	1.2
151.11215	6.1
153.09105	1.6
155.10664	2.6
163.11194	2.1
165.12767	7.4
167.10637	1.5
169.12271	2.1
171.10139	3.4
179.10690	2.7
181.12254	8.3
185.11688	3.7
191.10695	3.1
191.14256	3.6
209.11758	15.4
211.13304	2.5
222.05490	2.3
236.06857	1.7
245.18973	9.8
247.06180	1.5
248.07193	1.9
249.04218	1.5
250.04935	2.1
250.08665	10.4
251.09018	1.7
261.18631	1.3
262.08682	2.9
263.05814	13.5
263.20151	3.4
264.06638	9.2
265.03815	3.1
266.04565	36.9
267.04874	2.6
271.17099	1.5
274.05090	1.8
278.08188	28.0
279.08743	8.7
279.19623	2.1
280.09250	1.9
288.06647	1.6
289.07291	2.5
289.18042	16.4
290.04587	6.4
290.08182	12.1
290.18219	2.2
291.05261	3.7
292.06134	51.7
293.06491	4.1
306.07700	100.0
307.08386	96.4
307.19083	27.2
308.08914	8.2
308.19421	1.8
311.07910	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03342	0.8
59.01246	3.5
62.30430	0.6
71.01251	1.5
71.52663	0.7
83.04872	0.9
87.48640	0.6
97.06467	2.2
101.02372	0.7
113.02336	1.2
121.02838	9.8
123.08047	1.3
125.09621	12.0
126.09898	0.7
127.11140	1.0
128.03424	1.1
133.06490	0.7
135.08066	1.4
147.04347	1.0
149.02345	1.5
158.07253	3.1
159.08038	3.0
161.05986	0.9
162.06770	1.0
163.08672	2.2
171.10176	24.0
172.10495	1.6
177.05515	0.7
177.09143	0.9
220.14687	0.7
243.17528	1.9
247.09839	0.7
261.18536	1.6
275.16571	4.8
276.16602	0.9
277.18054	5.7
287.16516	38.6
288.16876	2.8
303.16095	0.9
305.17566	100.0
306.17923	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	305.2484
Annotation	15-Isopimaren-3beta,8beta-diol
Peak:m/z	Relative Intensity
53.21434	0.8
54.34571	0.9
57.03320	9.0
59.01246	5.7
63.75561	0.9
69.03313	4.0
71.01250	21.1
71.04880	3.2
72.01658	1.5
72.02031	18.7
73.02809	11.2
77.34348	0.8
81.03322	2.0
83.04877	2.9
83.11768	0.9
85.02805	1.1
85.06441	1.7
87.04385	100.0
88.04692	2.3
95.04895	3.1
97.06464	4.3
98.03616	1.5
99.04382	5.7
99.07989	1.3
101.02275	0.8
109.06487	8.2
111.04430	1.5
111.08034	1.0
121.06467	1.9
121.64413	0.9
123.08035	1.8
125.09599	1.8
127.11193	4.6
135.08040	3.1
137.05925	0.9
137.09601	2.5
139.07536	15.0
139.11252	1.5
141.12750	1.3
149.02284	1.1
149.13232	1.8
151.11156	2.6
153.09102	11.3
153.12738	5.8
163.14867	1.1
165.09079	1.6
167.10675	1.1
167.14316	3.3
179.14389	1.7
181.15782	0.9
197.15376	1.0
200.71712	0.8
205.19522	10.3
229.53850	1.1
233.22690	3.3
243.21233	1.5
259.20566	1.3
261.22214	31.0
262.22565	3.1
269.22748	5.8
275.23660	4.3
277.25299	2.6
287.23807	20.7
288.24026	1.6
303.23346	1.7
305.13852	1.7
305.24832	58.7
306.25174	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	305.1756
Annotation	Corrin
Peak:m/z	Relative Intensity
55.01763	1.0
57.03321	2.2
59.01233	3.1
65.03826	2.8
69.03300	1.1
71.01222	1.5
71.04893	6.9
71.07696	2.1
74.89202	0.8
75.24506	0.8
79.05393	12.0
81.03288	1.1
83.04881	1.4
85.02843	1.0
92.54561	1.0
93.03326	2.3
95.04902	1.3
95.68085	0.9
97.06472	14.8
106.04127	8.8
107.04904	3.5
107.08590	1.0
107.78629	0.9
109.06456	2.4
117.06989	1.2
119.04947	1.9
120.05694	6.2
121.06470	3.7
123.08065	7.1
125.09608	18.5
135.08047	100.0
136.08376	5.3
137.09619	2.4
149.02344	1.7
149.09621	1.1
151.11159	2.0
161.06009	1.8
162.06802	1.1
163.08650	1.1
171.10152	1.4
180.30667	1.0
183.10205	1.5
185.11792	2.6
189.02003	1.0
189.12755	2.9
192.85434	1.0
205.15895	5.5
207.10271	2.1
209.11787	3.7
221.11790	2.4
231.13982	1.8
233.11790	1.5
243.17346	1.1
249.14915	45.7
250.15346	4.3
261.18607	1.0
263.16476	2.7
269.15567	1.2
277.18103	1.5
287.16507	10.7
305.14423	2.6
305.17563	77.4
306.18005	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	305.1757
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03332	1.1
59.01242	4.0
69.03352	0.8
69.31223	3.0
69.31635	1.1
71.01236	0.6
71.04889	36.6
72.05230	0.9
73.02814	0.5
74.54388	0.4
80.02551	0.9
81.03322	3.2
83.04899	1.3
85.02860	0.5
89.63613	0.5
93.03355	1.9
95.01285	0.7
95.04897	16.3
97.02827	0.7
97.06466	1.0
106.04153	1.8
107.04919	1.7
108.02072	0.6
109.02850	1.4
109.06470	14.4
111.04394	1.6
111.08045	0.7
119.04926	1.1
120.05680	0.7
121.06460	5.0
122.03646	2.3
123.04385	0.9
123.08046	1.1
125.05953	0.8
125.09625	1.5
127.07549	1.8
135.04477	0.7
135.08037	5.5
136.05222	0.9
137.05901	0.5
139.07530	1.1
141.09178	0.5
147.04414	2.0
147.08073	3.3
149.02391	0.6
149.05948	1.8
149.09656	0.8
150.06764	1.6
151.07536	0.6
151.11208	0.5
153.09137	0.9
161.05983	2.8
161.09604	1.5
164.08340	0.9
165.09102	11.0
173.09718	0.8
175.07498	0.8
175.11186	0.7
177.12677	0.7
179.14296	0.7
185.11751	1.2
189.12750	12.8
190.13087	0.5
193.12344	0.6
195.13835	0.6
203.14285	0.9
205.15907	10.0
215.10689	1.0
215.14186	0.5
231.13844	2.4
233.11780	6.5
243.17491	9.6
244.17928	0.8
245.15460	1.0
247.13382	0.8
249.14903	12.2
250.15446	0.5
261.18497	2.4
263.16470	1.7
269.15421	2.2
287.16504	70.2
288.16788	6.6
289.14578	0.8
305.17551	100.0
306.12579	0.7
306.17889	10.0
313.74445	0.5
321.75726	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1394
Annotation	14-Hydroxyplatensic Acid
Peak:m/z	Relative Intensity
59.01239	5.2
71.01255	3.8
71.53221	1.9
83.01270	1.5
83.04893	7.9
91.05372	1.8
93.03332	8.3
106.04134	2.1
107.04908	19.5
108.02093	1.2
109.02837	3.1
109.06465	1.6
113.02288	2.0
117.03372	5.5
119.04877	2.1
121.02854	14.3
122.03638	6.1
123.08064	2.6
130.04178	2.0
133.02881	3.6
134.05998	1.7
135.04417	5.0
135.08046	5.3
143.04848	2.2
145.06532	2.6
147.08047	2.1
149.02374	2.6
151.03931	1.5
159.04417	1.7
159.08098	1.5
161.02341	7.0
165.01897	2.6
173.06142	1.5
173.09576	2.9
173.84511	1.2
175.07619	3.4
176.64728	1.3
177.01942	2.4
187.07538	1.8
188.08318	2.3
191.10796	2.2
201.05542	4.3
217.08516	1.2
220.07373	1.7
225.12885	2.6
243.13875	54.2
244.14188	2.8
261.14801	2.2
269.11871	2.2
273.11322	2.0
277.17999	2.3
287.12897	40.6
287.16135	1.9
288.13309	3.5
305.10443	5.3
305.13992	100.0
305.17636	14.2
306.14352	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	305.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44466	0.9
55.01767	6.8
57.03330	6.2
58.00460	3.5
59.01248	97.9
60.01574	1.5
69.03316	1.0
71.01252	100.0
71.52046	0.9
71.52423	1.0
72.01583	1.3
72.99174	5.5
73.02817	25.5
75.00747	1.6
83.01252	14.3
84.02029	0.9
85.02823	42.8
85.99955	0.8
87.00750	4.2
89.02316	55.0
93.03326	4.0
95.01268	7.5
97.02795	2.7
99.00754	12.3
101.02322	81.9
102.02660	1.6
106.04108	9.2
107.04919	11.1
111.00739	4.5
113.02326	46.4
114.02589	1.2
119.02588	1.7
119.03391	25.5
119.04888	4.1
119.08518	1.5
120.99564	4.9
121.02804	1.4
125.02338	1.7
129.01830	1.3
131.03377	2.3
138.03085	2.7
141.01831	1.4
143.03363	3.1
143.04567	1.1
143.10663	1.1
147.08067	8.7
149.04530	1.3
150.03140	1.3
151.03835	1.7
157.06520	1.0
159.02895	5.8
159.08156	1.4
160.03944	1.6
160.18045	0.9
161.04471	25.3
161.05835	1.8
161.09579	1.7
162.04828	0.9
163.04002	4.6
173.09619	11.4
179.05492	2.8
182.02086	1.6
191.07045	5.7
201.12706	1.2
205.05031	2.0
213.12761	1.1
216.07898	1.0
217.08673	9.1
218.09126	1.0
225.12891	1.7
231.13826	1.3
231.15948	3.7
242.62767	1.1
243.14099	1.1
261.14893	1.0
263.11200	2.5
275.12823	3.1
287.12903	5.9
288.34534	0.9
305.13589	39.8
305.16800	1.8
306.13882	4.3
321.68851	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1394
Annotation	5-Oxolasiodiplodin
Peak:m/z	Relative Intensity
55.01741	1.5
57.03305	1.8
59.00956	0.9
59.01246	16.4
61.83459	0.5
69.03311	0.6
69.23074	4.9
69.23492	1.3
71.01250	15.7
71.22919	0.5
72.99162	1.0
73.02811	5.3
83.01264	2.8
83.04895	2.5
83.06524	0.6
85.02821	6.8
87.00759	0.6
89.02312	6.9
91.63438	0.5
93.03321	5.3
95.01260	1.6
95.04889	0.8
98.09615	0.5
99.00738	2.5
101.02314	13.6
106.04121	21.1
107.04913	11.9
108.02045	0.8
111.00751	0.6
113.02326	7.6
114.02769	0.6
119.03396	3.1
119.04868	3.2
119.08556	1.5
121.02808	1.2
121.06522	0.8
123.08045	1.1
125.02290	0.7
126.60143	0.6
129.63568	0.5
137.09647	0.9
138.03125	6.7
138.05424	0.7
143.03441	0.9
143.04750	0.9
143.10635	0.8
147.08054	21.3
148.08333	1.3
149.02364	0.9
150.03127	6.1
151.03868	1.6
157.06500	0.7
159.02849	1.3
159.08044	1.7
160.06322	1.7
161.04488	5.4
161.05760	1.1
161.07111	2.1
161.09616	5.6
162.79044	0.5
163.03894	0.8
173.09601	4.5
175.07611	1.7
175.11177	7.2
182.02107	10.0
183.08037	1.8
189.01855	0.9
189.06583	1.7
191.07039	14.4
203.07019	1.3
205.08585	4.9
213.12799	1.3
217.08678	5.2
219.06552	4.4
219.10141	1.2
225.12781	4.7
227.07040	0.7
229.09836	1.1
231.13853	1.0
243.10088	0.6
243.13814	1.7
245.08231	1.7
257.84311	0.6
258.12640	0.5
261.04089	0.6
261.11337	0.6
261.14978	1.5
269.11633	0.7
275.12833	1.3
287.09341	1.7
287.12793	9.9
305.13889	100.0
306.14203	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	305.1392
Annotation	5-Oxolasiodiplodin
Peak:m/z	Relative Intensity
50.95342	0.6
59.01230	1.3
63.49121	0.6
69.83427	1.4
69.83813	1.9
71.04891	0.9
83.04946	0.7
87.04389	1.3
93.03332	1.6
95.04896	4.2
97.06461	2.0
105.03333	1.4
105.06982	0.7
108.02082	0.7
121.02834	4.7
122.03622	2.3
123.04405	0.6
123.50898	0.6
125.05958	1.9
125.09547	0.7
133.06464	3.8
135.08044	0.8
135.90582	0.6
137.02336	1.1
145.06499	0.8
147.04420	2.7
149.02342	86.3
149.05945	3.1
150.03149	8.0
160.05217	1.2
161.02342	1.9
162.03197	0.7
163.77371	0.6
173.05988	0.8
175.03914	19.2
175.07474	1.7
175.11169	0.7
176.04605	2.7
177.01857	6.1
177.05449	3.4
181.03311	0.7
182.02147	1.9
189.01822	6.0
189.05365	0.9
190.02510	0.8
197.87280	0.7
201.05591	0.9
203.03532	1.3
203.07100	8.0
203.10701	5.1
204.04178	7.5
205.04698	1.1
205.08707	0.8
208.03879	0.7
217.08670	4.6
218.05736	0.8
219.06343	0.7
219.10257	2.8
220.07359	24.2
221.07921	3.2
229.08664	1.6
233.11795	0.9
235.09888	0.8
243.17487	2.3
245.11937	0.7
246.08890	2.0
247.09737	13.1
261.11295	3.0
261.14786	0.7
261.18460	1.1
273.11288	1.2
275.12912	0.9
277.14288	0.9
277.18164	0.8
287.13235	1.2
287.16571	4.5
305.13968	100.0
305.17538	9.7
306.14328	8.6
306.17700	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	305.1142
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
57.03321	0.3
59.01247	10.1
65.99722	0.4
68.99709	0.3
71.01251	2.7
72.99167	0.3
73.02827	0.8
82.02849	3.8
83.01259	0.6
85.02823	1.5
87.00772	0.7
89.02316	1.1
92.04934	0.5
94.02853	1.9
96.04427	4.0
97.02827	0.6
99.00765	0.5
101.02312	2.3
106.04152	0.3
109.65540	0.2
110.06002	0.5
113.02381	1.2
119.03402	0.7
120.04420	1.1
122.03618	4.6
122.05987	1.7
136.03981	1.5
138.05496	100.0
139.05846	3.1
144.23155	0.2
149.04709	0.4
150.05516	0.7
161.04572	0.9
161.09602	0.5
174.05461	0.8
175.07834	1.3
188.07123	0.9
190.08644	1.0
191.08183	0.5
202.08742	1.1
215.08105	0.3
216.10211	0.8
217.06172	1.3
218.06926	2.0
218.11801	2.0
219.11894	0.3
223.87712	0.2
233.09264	5.3
233.11633	0.3
244.09735	0.9
245.09711	0.4
261.12424	8.7
262.12790	0.6
263.11307	1.7
271.08304	0.3
287.10413	1.0
305.11337	12.5
306.11661	1.0
323.51559	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.3
59.01250	20.0
60.01564	0.8
64.01294	0.8
69.03316	3.1
71.01243	1.6
71.04884	3.4
71.52376	1.2
80.02519	1.2
83.01226	0.8
83.04874	1.1
85.02834	1.1
88.39633	0.8
93.03333	2.6
95.04897	2.4
97.06437	1.4
107.04950	1.2
109.06472	3.8
113.02354	1.2
117.03328	0.9
117.06972	3.4
119.04887	1.2
121.06480	1.3
123.08013	1.3
125.09610	3.3
135.04372	1.0
135.08028	4.8
147.04347	1.1
147.08043	0.9
149.02368	1.4
149.09648	1.7
151.11169	1.6
161.02370	1.6
161.04408	0.9
165.09114	1.7
167.10670	2.9
171.10182	1.1
177.01845	1.8
179.10728	1.5
179.14348	4.3
185.11691	1.3
189.12793	1.2
192.00677	1.1
192.94139	0.8
195.13844	9.8
204.00597	0.9
205.01320	1.8
205.12283	10.9
205.98460	1.6
211.07729	0.9
220.00089	2.4
223.13333	100.0
224.13643	4.9
231.02901	1.0
233.00848	1.0
243.17455	2.9
245.11569	11.3
249.14937	1.9
261.18546	1.3
277.18011	2.1
287.13419	0.9
287.16492	19.1
290.07782	1.3
291.04980	1.0
305.08243	2.9
305.13766	11.3
305.17535	31.1
306.17868	2.7
306.81046	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02845	46.0
59.01248	0.3
59.03188	0.5
70.80722	0.8
79.22169	0.3
92.02074	0.3
98.20306	0.6
111.56632	0.3
124.27931	0.3
168.13850	100.0
169.14194	4.4
193.82738	0.4
208.88466	0.3
212.12845	3.2
231.08215	0.3
304.19211	1.1
329.93158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1029
Annotation	Murraculatin
Peak:m/z	Relative Intensity
57.76093	0.6
58.81227	0.6
59.01242	1.8
70.81568	0.9
70.81929	1.3
71.01234	0.6
73.29179	0.7
83.04915	0.8
85.02840	0.7
93.03371	0.7
97.25942	0.5
102.14297	0.6
121.02895	0.8
128.03355	0.9
133.02893	0.8
133.06425	0.8
135.08104	0.7
148.01541	0.7
149.02304	2.3
151.03932	0.8
159.08069	1.2
161.02345	42.4
161.05972	6.0
162.02644	2.3
163.03825	0.8
173.02321	1.4
174.03119	2.1
175.03940	1.7
176.04706	76.1
177.05389	7.6
185.16350	0.6
187.03873	0.8
188.01018	1.2
189.05515	1.0
201.00230	0.5
201.01859	14.1
202.02304	0.8
203.03432	22.8
203.06990	3.9
204.03740	1.1
217.12276	1.0
220.01732	1.3
220.03687	12.7
221.04449	4.0
231.10147	0.8
261.11288	33.7
262.11636	2.1
287.09152	4.5
287.16638	1.2
305.10275	100.0
305.17368	5.2
306.10611	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	303.1601
Annotation	3-Polyprenyl-4-hydroxy-5-methoxybenzoate
Peak:m/z	Relative Intensity
57.03315	1.3
59.01226	0.6
64.21898	0.3
65.00185	0.6
70.54094	0.3
70.54442	1.0
81.03319	3.5
83.01258	6.0
83.01733	0.6
93.03355	0.4
95.04866	0.5
98.85706	0.3
109.02771	0.5
123.04409	8.0
124.01521	0.7
133.06451	0.5
137.02345	4.5
138.03087	1.1
149.02328	0.4
151.00288	1.3
151.03949	0.5
152.04706	0.7
153.01807	0.5
163.00256	1.1
164.04677	1.7
165.01964	0.5
166.02625	8.0
167.03122	0.4
175.07469	1.7
176.08331	0.8
177.01808	0.6
177.05376	0.3
177.12755	1.2
179.03415	27.8
180.03999	1.8
189.09055	0.8
191.03423	8.0
192.04208	3.0
193.04854	0.6
193.15901	0.5
201.12761	1.1
205.05022	2.3
215.07027	0.4
217.15862	1.6
219.06535	4.0
219.13864	0.6
233.08141	1.7
234.08829	1.4
246.93915	0.4
259.17007	12.0
260.17276	1.2
261.14951	4.2
266.08060	0.4
287.12808	0.9
303.16000	100.0
304.16360	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	304.1453
Annotation	Vasicolinone
Peak:m/z	Relative Intensity
59.01244	3.1
64.45905	1.1
70.73736	3.3
71.01262	1.4
106.06522	2.2
107.04951	1.2
116.04983	2.5
127.77902	1.0
135.07993	1.0
140.04961	11.2
142.06511	5.0
145.03967	2.1
152.03419	1.4
156.05592	2.1
156.06842	33.4
157.07498	2.2
160.06248	1.5
165.01868	1.1
169.07610	8.9
170.08438	6.9
171.09082	1.2
179.03369	1.1
183.05569	1.6
200.68491	1.1
227.13887	1.1
231.09280	3.6
238.70892	1.3
245.10831	1.5
249.70621	1.1
268.46393	1.1
277.08884	1.2
287.16498	1.7
288.11368	4.0
289.08813	1.2
289.12201	98.7
290.12512	9.2
304.14548	100.0
305.08231	3.9
305.14734	12.0
305.17712	2.4
305.20914	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.16
Annotation	Ialibinone E
Peak:m/z	Relative Intensity
50.95449	0.5
59.01248	0.8
71.52637	0.9
85.06477	0.5
105.03305	0.5
106.04140	0.9
109.02855	0.7
121.02839	15.0
122.03123	0.6
123.04417	0.8
124.29371	0.4
135.04417	0.5
137.02356	0.6
149.02335	39.7
150.02795	1.5
159.08159	0.6
164.04694	20.3
165.05263	1.5
177.05548	1.0
177.09096	0.6
196.03697	39.4
197.04041	2.1
201.05534	0.6
203.07109	0.8
204.07941	0.6
205.08650	1.0
217.08493	0.7
223.03139	0.4
229.04980	0.7
233.11784	10.9
234.11977	0.6
285.14929	0.5
303.15988	100.0
304.13144	0.3
304.16345	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	303.1603
Annotation	Miliusol
Peak:m/z	Relative Intensity
58.02716	1.1
58.03037	0.5
59.01162	0.4
59.01411	0.3
70.29803	1.0
106.04024	0.3
121.02666	1.0
121.03443	0.3
134.03610	1.6
147.04326	0.3
149.02223	0.7
150.02960	0.3
159.08038	2.2
162.03136	4.6
163.03496	0.4
163.07451	0.6
164.04478	0.5
165.01709	0.4
166.02615	1.7
168.13847	3.4
173.05995	1.3
175.03780	0.8
177.05315	1.0
187.07477	0.5
194.02133	4.0
196.03625	0.6
201.03961	0.3
201.05513	3.9
202.06155	0.7
212.12715	0.4
215.07092	2.1
216.07857	4.4
219.06462	0.4
229.05014	0.3
257.15457	2.4
275.15555	0.3
285.14938	100.0
286.15305	7.9
303.12347	0.7
303.15979	13.5
304.16278	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1503
Annotation	MCB-613
Peak:m/z	Relative Intensity
51.42353	0.4
57.38707	0.4
59.01246	1.3
70.58002	0.8
70.58334	0.7
82.02850	0.8
89.02306	0.4
97.20478	0.4
109.17017	0.4
117.68961	0.4
119.04908	1.1
121.02846	0.7
126.95979	0.5
130.06456	0.5
131.04855	0.5
133.02753	0.6
147.04417	2.7
160.07582	100.0
161.07930	4.4
210.01860	0.4
229.04913	0.8
232.06401	0.5
241.12201	0.8
244.07516	0.9
244.11293	1.5
273.99020	0.7
289.01486	0.7
303.15024	63.7
304.03833	1.5
304.15378	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	303.1599
Annotation	Hydroxypiloselloidone
Peak:m/z	Relative Intensity
57.80901	0.4
59.01271	0.5
66.65987	0.5
93.17484	0.4
105.03336	1.0
121.02837	27.6
122.03204	1.0
123.04401	1.1
123.08045	0.9
149.02338	63.0
150.02652	2.3
151.03841	0.6
164.04691	23.6
165.05038	0.5
177.01884	0.5
196.03694	41.7
197.04037	1.5
204.07829	1.8
219.10184	4.0
229.08588	1.2
230.09337	0.6
245.11794	13.5
246.12070	0.5
253.49896	0.5
261.37732	0.5
285.15002	4.1
303.15982	100.0
304.16318	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	303.062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33575	9.8
55.72084	10.2
59.01252	26.1
61.98706	100.0
64.40549	9.1
68.22356	9.6
70.47893	35.8
71.01247	24.6
73.02814	23.6
84.33188	9.2
88.50278	8.4
90.93805	8.9
121.02858	21.1
149.02353	15.8
165.05496	17.1
173.06104	10.7
185.11552	26.6
187.07671	10.8
198.12794	13.3
199.13147	61.3
229.05042	20.1
244.07481	14.3
259.09439	12.5
285.14917	12.1
303.08972	22.6
303.12296	77.8
303.15613	38.9
303.18594	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0668
Annotation	5,8-Dimethoxymaculine
Peak:m/z	Relative Intensity
59.01247	2.1
65.89722	0.4
71.53187	0.6
77.03931	0.3
94.28143	0.3
103.20539	0.4
144.04437	0.9
156.04480	1.0
159.03123	0.4
160.03978	0.8
170.05815	0.4
172.03946	3.4
176.03455	0.4
184.04021	0.8
186.05565	0.6
188.03453	2.5
197.04694	0.8
198.05573	0.6
199.02608	0.5
200.03465	12.3
201.03802	0.7
212.03461	0.8
213.04199	1.1
214.05003	1.0
216.00598	1.2
216.02937	7.8
217.00928	2.6
217.03137	0.8
219.06424	0.4
226.01457	0.6
226.05095	0.9
227.02129	1.5
228.02982	26.0
229.03328	1.4
230.04555	0.5
231.05301	0.8
240.02983	0.8
241.03751	6.6
242.04543	5.7
243.01607	1.6
243.05328	16.5
244.02483	42.7
245.02762	3.1
254.00920	0.7
256.02505	0.6
258.04034	5.2
258.07602	3.1
259.04788	4.1
260.05087	0.4
264.42606	0.4
269.03287	7.8
270.04025	4.7
271.01215	0.6
272.01987	100.0
273.02338	6.3
274.07162	1.6
284.02197	0.5
284.05606	1.8
286.00745	0.6
286.03586	7.4
287.04321	85.3
288.04639	6.2
302.06674	87.7
303.06992	7.1
303.12396	1.4
303.15909	0.9
303.21750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1761
Annotation	Alangine
Peak:m/z	Relative Intensity
57.03319	1.7
59.01248	0.8
61.98664	0.7
69.03326	12.2
70.03643	0.6
73.02791	3.1
73.15299	0.5
87.04395	2.9
98.19720	0.8
109.38407	0.5
129.05742	16.5
130.06509	2.2
131.06850	1.3
143.07283	1.1
155.07320	7.1
160.61386	0.5
161.04715	11.9
165.27460	0.5
165.79517	0.5
166.06424	0.9
166.54478	0.6
171.06783	2.5
180.08049	0.5
184.11235	89.9
185.11546	6.3
187.06302	8.4
196.11246	3.7
198.12756	3.2
203.05788	3.7
205.07515	0.6
210.12813	31.8
211.13141	2.5
213.07904	1.9
221.12009	0.9
224.14359	0.8
225.11610	1.0
226.12291	13.4
227.12604	0.9
228.13873	6.9
229.17447	0.7
236.14415	6.0
240.13914	1.0
254.15622	3.1
272.01999	0.9
284.16574	5.6
302.17596	100.0
303.08707	0.8
303.18243	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	301.1658
Annotation	Viridamine
Peak:m/z	Relative Intensity
52.88835	0.2
58.78696	0.2
59.00951	0.2
60.97375	1.0
70.54410	0.8
74.98931	0.6
79.52812	0.3
116.67588	0.2
118.96137	0.7
134.99284	5.9
135.99159	0.2
136.97212	2.4
141.07370	0.3
143.05217	0.9
150.98749	0.6
159.08348	1.4
161.06299	6.7
162.06651	0.3
187.02289	0.2
201.04002	0.5
203.05585	3.2
205.03493	0.6
215.05589	1.4
217.07147	84.3
218.07288	6.2
219.14682	0.2
235.08194	0.5
240.49907	0.2
261.06064	0.5
283.12054	0.5
283.15366	0.3
285.13452	35.6
286.13651	3.6
301.16577	100.0
302.16763	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	301.2017
Annotation	Koninginin G
Peak:m/z	Relative Intensity
52.39090	0.4
57.03325	2.6
59.01221	1.2
79.95623	0.6
83.04871	0.5
93.03342	0.7
97.06457	1.0
99.08043	0.7
103.06253	0.5
109.70363	0.4
113.09595	1.7
123.00761	0.7
125.09618	0.8
139.11147	0.8
151.00291	0.9
155.14368	0.4
163.03798	0.5
174.03148	1.6
184.01341	0.5
188.01073	0.8
201.11156	0.4
206.02109	1.4
208.56998	0.4
209.11655	0.5
211.20616	0.7
216.00653	2.7
221.19051	31.3
222.19405	2.1
227.12749	1.5
229.79469	0.6
233.34846	0.4
237.18581	0.6
239.20113	4.0
243.04866	0.6
245.04535	0.6
246.34717	0.5
257.21237	1.6
265.18066	18.3
266.18381	1.3
271.04376	1.5
273.03909	0.6
283.19128	19.1
284.19449	1.5
286.03677	0.9
286.06900	1.3
287.04147	0.5
301.14471	7.2
301.20172	100.0
302.14966	0.9
302.20535	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1443
Annotation	Nordihydroguaiaretic acid
Peak:m/z	Relative Intensity
59.01249	0.5
61.98686	0.7
69.61806	3.3
87.66399	0.5
91.49541	0.5
93.03336	3.8
95.01217	0.5
97.02846	0.7
100.31355	0.5
105.03312	0.6
106.04118	0.7
107.01250	0.6
121.02832	5.2
122.03645	5.4
123.00755	0.6
123.04405	0.8
132.99797	0.5
133.02855	1.0
134.03627	0.7
135.04396	1.9
136.01611	0.6
143.04929	0.5
147.04440	0.7
148.01553	3.3
149.02339	26.7
150.03082	3.4
151.00313	0.7
157.06546	0.6
159.07950	0.5
161.02338	14.1
163.69624	0.5
166.02557	0.8
173.05966	1.2
175.03972	3.2
175.07516	4.8
187.03967	0.7
187.07492	1.2
188.08372	0.6
189.05501	2.7
201.05516	0.6
202.06157	0.9
203.07092	5.0
204.07698	0.9
214.06238	1.2
217.04907	0.6
229.15903	4.9
232.07434	0.7
245.15408	13.5
246.15756	0.6
255.13889	1.4
257.15457	5.0
271.13461	0.8
273.14941	27.1
274.15286	2.5
283.13217	0.6
295.60254	0.6
301.14417	100.0
302.14713	9.4
312.06262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00188	0.3
66.00963	0.2
69.39932	1.2
76.48573	0.1
83.84679	0.1
91.01762	0.4
93.03378	0.2
107.01231	0.2
115.01768	0.3
123.00772	0.2
124.85954	0.1
131.01344	0.2
132.02055	3.0
134.03671	0.2
135.00768	0.2
145.04019	0.2
148.01572	0.3
151.00291	0.6
152.00978	0.2
159.00774	0.4
160.01547	0.3
163.00267	0.4
171.04442	0.2
187.00201	0.8
188.01067	19.0
189.01450	0.8
198.03081	0.8
199.03984	1.1
200.25453	0.2
214.99844	1.9
216.00575	100.0
217.00911	5.4
227.12772	0.2
233.00912	0.2
257.08130	0.3
273.03937	0.4
301.03647	0.3
301.07111	3.0
301.16525	0.5
302.07132	0.2
322.37009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01586	0.7
65.00199	1.0
71.01234	1.1
71.09864	1.3
80.24184	0.6
80.75626	0.6
83.01238	0.7
83.04933	0.8
85.02843	1.4
93.03334	4.9
93.97247	0.6
102.28536	0.6
103.03916	1.1
108.02076	1.3
119.04949	1.0
121.02834	1.3
123.00821	0.8
129.07057	0.9
133.02875	0.7
144.28323	0.7
149.05980	7.2
151.00298	2.0
161.05959	0.7
182.07281	12.6
183.07805	1.0
188.01204	1.1
195.08102	2.7
196.08871	3.0
197.09642	73.3
198.10008	4.7
200.03468	3.6
211.11217	10.4
211.13089	0.7
212.11900	1.6
213.12817	2.3
216.00642	5.0
216.02815	1.5
217.08742	4.0
227.10724	4.8
228.02985	7.2
241.03792	1.8
243.01447	1.7
243.05270	5.0
244.02484	7.7
245.11806	5.0
257.11798	3.1
257.15524	1.1
258.03949	0.8
258.07736	0.9
259.04849	0.9
265.18060	1.2
269.03290	0.8
271.01263	2.0
272.02020	11.9
272.12497	0.6
276.89563	0.6
281.13205	2.9
286.03271	4.7
287.04355	12.8
301.03433	2.0
301.06287	1.5
301.10889	17.1
301.14474	6.4
301.20093	8.9
302.06631	14.9
302.11307	1.5
302.14499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	Bracteatin
Peak:m/z	Relative Intensity
51.47721	0.4
59.01241	1.2
63.02264	9.2
65.00192	15.6
66.00558	0.4
69.29095	3.8
79.01784	0.5
83.01252	9.7
93.03333	5.9
95.01277	0.9
107.01265	25.0
108.54617	0.5
109.02839	2.8
109.99966	2.6
119.04893	5.4
121.02837	23.1
122.03194	0.8
123.00755	0.5
123.48309	0.5
124.01546	1.0
125.02341	1.0
129.09119	0.7
134.03409	0.5
136.01561	0.4
136.07576	1.7
137.02293	0.7
137.99394	0.5
139.00317	0.5
139.03923	2.6
148.01634	0.4
149.02328	3.6
151.00267	75.2
152.00659	2.1
157.06526	0.6
159.04430	0.8
161.02382	1.3
163.00275	1.8
163.03922	1.2
164.01099	1.6
165.01831	0.7
165.98991	3.4
169.01335	5.3
171.04298	0.4
178.99783	24.3
180.00244	1.3
181.01324	2.5
183.04492	0.6
187.03883	1.2
192.00621	1.2
193.01360	1.6
195.02895	0.5
199.02332	0.9
199.04037	0.7
201.05504	1.4
205.05096	0.8
211.03955	1.6
213.01871	0.4
227.03517	1.2
229.04991	2.2
243.02988	0.8
245.04495	2.5
255.02969	1.2
256.03494	0.7
257.04468	0.9
257.12924	3.3
272.02954	1.0
273.04047	4.3
286.04807	1.5
301.03519	100.0
301.14532	1.2
301.20160	5.2
302.03854	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	301.0354
Annotation	6-Hydroxykaempferol
Peak:m/z	Relative Intensity
51.68583	1.4
57.03295	3.6
57.79031	1.4
59.01253	8.9
60.83909	1.7
63.02272	9.7
65.00193	26.5
68.99699	1.6
70.01529	6.2
71.01261	2.2
75.00772	1.9
82.86245	1.5
83.01249	17.2
93.03335	43.5
95.01260	10.7
96.54639	1.7
98.20507	2.1
107.01271	41.1
108.02050	4.7
109.02837	3.9
111.00793	4.6
117.03344	9.3
119.04945	3.5
121.02848	6.3
123.00761	7.6
124.01566	11.7
125.02341	15.0
133.02780	2.4
134.03600	7.6
135.00739	4.5
135.04422	7.6
136.01550	1.9
137.02312	6.1
137.93060	1.6
138.03128	2.2
139.00279	3.7
143.04976	2.7
145.02831	5.6
149.02304	2.5
149.05884	2.5
151.00275	100.0
152.01073	30.1
153.01791	7.2
157.06349	1.6
157.99985	1.5
159.04492	8.7
161.02290	8.0
161.05981	3.9
162.03098	6.1
163.00272	16.7
164.00812	1.9
165.12807	9.8
166.02708	2.8
169.01303	7.2
169.06447	1.8
171.04457	2.4
173.05937	1.8
177.05548	2.3
178.99782	28.1
181.01413	2.1
183.04384	1.6
183.09805	1.7
183.13826	32.0
185.05949	3.5
187.03967	3.8
189.05429	1.6
191.03340	1.9
194.02144	5.6
199.03914	2.8
200.10805	1.9
201.05524	11.0
201.11026	2.5
205.04951	1.8
206.99266	24.7
208.00064	18.6
209.11809	5.1
211.03915	3.7
213.05463	3.7
215.03448	6.3
227.03465	4.6
227.12827	13.8
229.04974	9.3
242.00792	1.5
245.04514	68.6
245.82346	1.6
246.02127	1.5
246.04826	5.3
255.02971	8.8
256.03574	2.2
257.04532	16.0
258.04272	6.6
272.01828	3.0
273.04025	90.0
274.04449	7.0
283.02478	6.0
286.03748	30.6
301.03491	61.7
301.06674	25.3
301.14090	26.0
301.16916	5.5
301.20175	6.1
302.03763	4.6
302.06857	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	300.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12685	0.2
57.03306	0.6
59.01223	0.4
67.21005	0.2
69.03323	12.6
71.01245	0.3
73.02821	2.1
85.02818	0.4
87.04385	3.2
98.20580	0.5
116.04941	0.3
118.03695	0.3
121.93224	0.2
123.00755	0.3
129.05719	0.3
130.06514	100.0
131.06856	4.7
132.04463	0.4
135.04402	0.4
137.74104	0.2
138.04604	0.2
138.05528	0.9
142.06520	2.0
144.04396	0.4
144.08104	1.7
145.02791	0.8
146.03220	0.6
151.00275	0.4
156.08099	4.9
156.66306	0.3
158.09654	1.4
172.07620	2.5
175.06190	0.3
179.08437	0.3
182.09720	0.5
186.09142	2.5
199.13269	0.4
200.10738	27.7
201.11067	1.6
212.10706	0.4
215.20845	0.3
226.12317	1.0
227.12802	1.2
229.14589	0.3
230.11797	0.8
242.00859	0.4
242.04498	0.3
242.11774	1.3
256.13443	1.0
270.00516	0.4
270.04050	0.5
270.15140	0.4
285.03000	0.4
285.06427	0.4
300.05301	0.4
300.08719	0.3
300.16165	6.9
300.19482	0.4
301.14157	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	300.1604
Annotation	Dobutamine
Peak:m/z	Relative Intensity
55.54996	0.3
58.34711	0.3
59.01254	0.6
70.09145	0.8
70.09555	0.9
81.59348	0.3
86.23331	0.3
93.03333	0.6
98.19830	0.5
99.92518	0.9
106.04123	17.3
106.99238	0.3
107.04913	12.8
108.02061	0.8
117.03399	0.6
118.03629	0.4
119.04900	3.3
121.02839	0.9
134.03671	0.9
138.03125	7.0
138.05518	1.2
145.02835	2.7
145.06532	1.0
146.03220	2.2
146.07234	0.4
147.08083	1.0
151.00374	0.4
159.08052	2.2
166.02638	1.1
177.04309	0.6
208.10568	0.5
209.03194	1.3
216.00511	0.4
216.06578	0.4
217.00253	0.4
229.15929	65.0
230.08257	0.4
230.16309	4.3
231.08989	1.3
248.78177	0.4
257.03467	0.5
257.15466	1.7
270.04083	1.1
273.04166	0.5
285.03040	0.4
300.16052	100.0
301.03424	0.5
301.16528	8.1
301.23776	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	300.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.6
59.01266	0.5
69.03328	10.3
69.28212	0.5
71.01283	0.8
71.32169	0.9
73.02810	6.5
73.03127	0.5
75.98022	0.5
77.73335	0.6
81.88935	0.6
87.04403	2.0
93.03355	0.6
115.59095	0.6
120.05105	0.6
123.00766	0.7
138.05527	1.5
142.06509	0.8
145.02852	2.1
146.03244	1.3
151.00273	0.7
156.08083	5.3
162.03165	0.9
166.06535	14.4
167.06898	0.8
180.08101	4.1
182.09671	80.8
183.10004	5.3
192.08101	10.6
194.02127	0.7
194.09737	2.9
196.11282	4.8
206.09615	1.3
208.11250	33.7
209.11584	2.4
210.09074	0.8
212.10681	1.3
218.09715	1.1
219.10457	1.4
220.11234	0.6
222.12798	1.1
223.10085	0.9
224.10754	12.5
225.11220	0.6
226.12326	7.8
227.12820	1.8
230.11870	3.2
234.12801	4.5
238.12297	1.1
242.00917	1.6
242.04500	2.7
252.13927	4.3
255.01570	0.6
257.03217	2.1
267.05383	0.8
270.00793	1.0
270.04044	5.4
270.14890	0.7
282.04163	0.9
282.14935	5.0
283.15250	0.6
285.02798	5.1
285.06406	3.7
300.05103	5.1
300.16040	100.0
301.16833	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	300.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06995	0.5
57.03312	2.2
59.01250	3.3
61.98706	3.4
69.03333	4.7
69.54742	5.0
71.01249	16.2
72.02000	0.6
73.02814	16.9
74.95565	0.6
75.62021	0.8
78.95760	1.0
83.04847	0.8
85.02834	1.4
87.04379	2.2
93.03333	0.7
95.18221	0.6
103.03858	0.7
107.04954	0.6
113.02250	0.7
117.03336	1.0
123.00772	0.7
130.05600	1.1
130.06517	15.3
131.06798	0.8
135.04449	1.0
137.05952	0.6
138.05496	3.0
142.06454	0.7
145.02831	4.0
145.05235	1.9
146.03207	2.3
151.00279	1.2
151.07481	0.8
156.08064	1.5
157.05176	0.7
163.03822	0.7
166.06569	5.1
177.04195	0.7
180.08125	6.7
182.09669	28.3
183.09976	1.3
188.01065	4.2
189.04137	0.9
192.08118	1.0
194.09671	6.1
195.09940	0.7
196.11238	63.0
197.11635	3.3
199.90259	0.7
200.10728	22.3
201.11084	1.1
207.21634	0.6
208.11078	0.8
210.12819	0.7
212.10724	4.2
216.00587	9.0
224.10638	0.8
226.12286	2.1
227.12807	2.2
234.12909	1.5
238.09084	0.7
242.00931	0.8
245.04320	0.9
252.13879	6.8
255.01425	0.7
257.03238	0.9
264.13901	1.2
270.04016	2.1
273.04050	1.2
282.14911	1.1
284.12778	0.8
285.02933	1.5
285.06082	0.8
286.03638	1.1
300.05197	1.9
300.16049	100.0
301.07187	1.2
301.16364	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	300.1602
Annotation	Ractopamine
Peak:m/z	Relative Intensity
67.07599	0.6
69.22763	6.4
76.06313	0.7
90.18839	0.8
96.42954	0.8
100.72386	0.6
106.04098	6.0
107.04951	3.5
119.04915	0.9
121.02867	1.0
121.91080	0.6
134.03636	3.6
137.02345	1.6
138.03117	1.9
142.16158	0.6
142.95898	0.7
147.04468	0.7
150.46677	0.7
159.08026	1.9
166.02576	1.8
170.40961	0.8
187.07504	1.8
188.08362	1.8
198.05487	0.7
229.15915	16.9
231.08969	0.8
242.95074	0.7
282.14996	12.4
283.15222	0.7
285.70819	0.7
286.26312	0.7
300.16019	100.0
301.16367	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	300.1603
Annotation	Ractopamine
Peak:m/z	Relative Intensity
52.63038	0.3
59.01239	0.7
64.63228	0.3
69.80348	0.9
69.80746	0.7
70.82213	0.3
85.18931	0.3
90.08838	0.3
99.92444	0.5
106.04134	3.3
107.04902	1.4
109.17012	0.4
119.04944	0.5
121.02843	2.0
122.59344	0.3
123.00774	0.8
130.06500	1.0
134.03630	6.0
137.02336	3.3
138.03111	1.5
138.05486	1.3
144.77599	0.4
145.02837	1.4
146.03162	1.3
147.04399	1.9
149.02325	0.5
159.03123	0.6
159.08089	2.9
161.05995	0.4
166.02631	5.6
167.72769	0.4
172.03918	0.5
187.07614	2.5
188.01080	0.5
188.08365	3.2
198.05540	1.8
199.07555	1.0
201.09161	0.5
203.07118	1.0
212.07066	0.9
213.07767	1.9
216.00523	0.7
227.14487	0.5
229.15952	4.1
234.86235	0.4
241.12199	0.4
244.14619	2.2
255.13814	1.0
256.14587	0.9
270.04025	0.9
282.14975	28.1
283.15274	2.7
285.03091	0.4
285.06464	0.5
300.16031	100.0
301.16440	8.3
312.69876	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26862	1.0
79.12309	0.3
82.54079	0.2
95.01243	0.5
111.34166	0.2
118.02828	0.3
135.20380	0.2
135.35324	0.3
142.06464	0.5
170.06023	2.3
172.03830	0.3
182.06042	2.5
182.09666	0.6
186.05539	2.3
196.03827	0.2
197.04729	1.0
198.05524	3.6
199.02693	1.0
208.11081	0.3
214.05038	4.7
224.03462	0.5
225.04219	0.6
226.05042	2.1
227.02187	9.9
228.02533	0.8
240.03055	0.6
241.03818	1.2
242.04544	32.3
243.04871	2.1
254.01923	0.3
255.01695	18.5
256.01959	1.2
256.06134	0.3
269.03232	0.6
270.04053	100.0
271.04388	7.7
284.05606	0.9
285.06409	74.4
286.03604	0.4
286.06738	5.7
300.08749	62.5
301.09076	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	300.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09156	0.2
96.95825	0.2
98.20614	0.3
108.12471	0.2
118.97071	0.2
138.05504	0.4
145.02849	0.6
146.03162	0.5
198.05408	0.3
199.02643	0.8
226.05000	0.4
227.02162	5.0
229.11998	0.2
229.15970	0.4
241.03737	2.1
242.04459	1.5
254.04558	0.4
255.01689	35.1
256.02057	2.3
256.06110	2.4
257.06534	0.3
269.03317	0.5
270.04050	100.0
271.04370	7.4
284.05588	2.9
285.06390	19.0
286.06662	1.3
300.08746	43.0
300.15918	1.7
301.09061	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	300.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.1
64.13638	1.0
65.78973	0.8
78.95755	1.9
99.92455	1.8
100.09618	0.9
100.18598	1.1
106.04135	4.9
107.04928	2.6
117.03381	1.2
118.03644	1.0
119.04855	1.2
130.06506	3.4
133.02885	1.1
137.12509	0.9
137.40219	0.9
138.03120	2.3
138.05508	2.8
145.02829	4.3
146.03223	4.5
151.00246	1.5
154.55406	0.8
157.24213	1.0
159.08095	0.9
159.47168	0.8
166.02505	1.0
170.05989	1.4
175.03981	1.0
182.05969	1.5
198.05510	3.5
199.02592	2.1
200.10703	1.1
212.03653	1.0
214.05003	3.7
226.05087	1.9
227.02191	23.3
227.12692	1.2
228.02650	2.2
229.03642	1.6
229.15926	14.0
241.03632	2.6
242.00664	2.2
242.04549	50.7
243.04831	2.7
245.04387	1.2
255.01642	8.2
256.02399	2.6
256.05997	2.2
257.03204	4.4
267.05167	1.4
268.02502	1.1
269.00836	1.2
269.03357	6.0
270.04059	100.0
271.01089	2.4
271.04306	6.5
272.05606	3.8
282.15253	1.2
284.05698	9.0
285.02921	4.3
285.06403	67.5
286.03467	4.9
286.06732	5.0
300.05197	6.4
300.08716	72.7
300.16141	39.0
301.06137	1.4
301.09064	5.4
301.16458	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	299.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	10.2
57.99961	1.5
59.01252	3.4
70.26107	6.6
73.02816	3.6
83.04901	5.6
85.02817	5.1
85.06493	2.5
89.17140	1.7
90.20398	1.5
90.30081	1.7
93.03357	3.0
102.37077	1.6
123.08035	2.9
125.55504	1.9
137.02370	3.1
145.02859	3.5
147.82115	1.9
151.11107	2.5
154.31071	1.7
163.11180	3.5
169.12257	9.6
175.04436	1.7
192.76877	1.7
195.13840	100.0
196.14186	8.0
211.24152	1.8
255.15976	2.5
299.16605	3.2
300.05164	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	299.1498
Annotation	Ficusolide diacetate
Peak:m/z	Relative Intensity
54.91777	0.5
55.53738	0.5
57.03318	4.7
59.01245	35.2
71.01243	1.7
71.52656	0.9
72.99167	1.6
73.02811	1.0
74.98965	0.8
75.00739	3.3
83.04909	3.2
85.02811	6.0
96.95896	0.7
97.06454	3.1
101.05933	0.6
107.01263	0.7
109.06472	0.8
117.03335	1.3
119.04902	0.9
121.06447	0.9
123.08021	0.9
137.09607	6.5
138.06725	1.1
145.02843	6.1
149.09618	2.3
151.00223	3.3
151.11162	1.3
153.09085	3.5
159.06537	2.6
163.11200	2.2
165.12711	4.1
169.12204	0.7
177.12779	1.0
178.99774	2.5
179.25696	0.6
181.12239	2.4
181.82568	0.7
183.13808	2.0
188.09177	0.6
188.49538	0.7
193.12271	2.8
195.13811	8.0
200.93573	0.6
211.11526	3.6
211.13341	4.9
220.51588	0.6
221.11813	1.4
227.03458	1.0
238.01309	0.6
239.12839	34.6
240.13219	3.0
241.14438	2.6
255.10457	1.1
257.13916	100.0
258.14273	6.9
258.77682	0.7
271.02563	1.5
284.03204	3.5
299.02011	2.6
299.05585	3.5
299.09540	0.7
299.14661	17.0
300.02539	1.9
300.15558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46824	0.7
57.03320	14.2
58.56660	0.8
58.73921	0.7
59.01244	9.5
59.62115	0.8
68.99687	1.0
69.60282	2.7
69.60708	2.9
69.75246	0.7
71.01250	9.4
72.99170	3.6
73.02802	2.6
75.00737	8.7
76.09717	0.9
79.95602	29.2
80.96385	20.5
83.01229	0.9
83.04888	6.2
85.02814	15.6
85.03290	1.3
85.06455	1.8
87.00736	0.9
89.02313	4.5
93.03338	1.5
97.02812	1.2
97.06486	1.2
99.00768	4.5
99.04386	1.1
99.08049	1.3
106.97947	3.0
111.04374	1.0
117.03345	3.3
119.04887	1.7
119.71070	0.9
121.02838	100.0
122.03184	2.8
123.08041	3.1
124.00626	54.6
127.56435	0.8
129.01173	0.8
129.01851	8.5
135.08115	1.3
137.02357	1.7
137.09625	2.2
138.05464	1.3
139.11176	1.3
145.02849	17.5
149.09641	2.8
151.11203	2.9
159.02925	1.3
160.01633	1.6
163.03867	1.3
163.11177	2.5
165.12726	1.7
167.14363	0.9
169.12265	5.3
177.03984	13.9
177.12758	1.2
181.05011	0.9
195.13844	62.8
196.14186	3.1
203.05772	1.9
204.06660	2.0
237.15022	1.1
255.15706	1.2
257.14005	2.0
285.03091	11.8
299.07755	3.7
299.16519	33.1
299.25739	1.6
300.05441	39.2
300.16782	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	299.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	22.6
59.01230	7.5
69.60212	14.8
71.01236	5.5
73.02822	4.1
83.04896	14.3
85.02816	8.3
85.06450	5.3
98.03578	3.0
99.08000	3.4
121.02827	34.1
123.08032	4.4
129.01767	3.0
137.09576	4.9
139.11183	4.1
145.02884	11.3
149.09610	8.5
151.11183	5.7
152.61221	2.1
163.11235	4.7
165.12706	3.7
169.12244	7.6
177.03848	3.2
177.12619	2.4
187.63318	2.2
195.13820	100.0
196.14174	4.6
299.16455	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	299.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61555	0.7
53.72012	0.7
57.03086	0.9
57.03326	10.4
59.01251	7.5
70.84918	0.7
70.85254	1.5
71.01255	9.5
72.99177	3.1
73.02817	2.5
74.02327	0.7
75.00754	5.9
79.95603	18.8
80.96389	14.2
83.04909	3.2
85.02827	12.2
85.06460	1.9
87.00723	1.0
89.02324	3.4
93.03334	1.4
97.02802	0.9
97.06509	0.8
99.00755	4.4
99.08051	1.7
101.02345	1.0
106.97969	1.5
113.02296	0.7
117.03324	3.3
119.04917	1.9
121.02843	100.0
122.03184	2.8
123.08021	1.7
124.00629	39.4
129.01825	10.4
133.32988	0.8
137.02299	2.2
137.09697	1.5
137.34782	0.9
138.05588	0.8
139.11205	2.3
145.02853	18.3
149.09645	1.8
151.11217	0.9
153.72134	0.7
159.02890	2.1
160.01591	0.8
163.11197	2.7
165.12781	1.7
169.12224	6.4
171.56200	0.6
177.03967	15.0
177.12791	1.5
179.10713	0.7
181.04930	0.8
181.12274	1.3
188.44180	0.6
195.13835	58.7
196.14207	3.1
203.05858	1.4
204.06583	1.3
209.15540	0.7
248.08699	0.7
255.15829	1.8
257.13953	2.7
285.03125	6.3
299.07742	8.3
299.16537	25.6
299.25848	1.6
300.05457	50.5
300.16895	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	299.056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26589	0.3
59.01242	0.4
62.29546	0.3
63.02261	1.1
65.00181	0.7
79.95599	0.7
83.01241	1.3
84.06624	0.4
107.01263	2.0
117.03373	0.6
120.22548	0.3
121.02882	0.4
132.02058	0.7
133.02809	0.5
134.03632	0.8
145.02844	3.8
148.01537	0.4
149.02396	0.3
149.99422	0.3
151.00282	3.5
169.01344	0.7
178.99724	0.5
183.04384	0.6
184.05087	0.3
187.03918	0.5
188.04657	0.5
199.04013	0.8
200.04753	0.7
200.10881	0.3
211.03940	1.2
211.07655	0.4
212.42351	0.3
227.03430	2.5
228.03999	0.6
255.03011	1.6
256.03735	25.9
257.04074	1.5
271.02460	0.5
283.02432	0.7
284.03238	100.0
285.03558	7.1
299.05579	71.1
299.12921	1.0
299.16446	5.3
300.02472	0.4
300.05872	5.6
300.16965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77956	0.7
51.93896	0.6
53.30925	0.7
54.65811	0.8
55.01738	0.9
57.03323	4.2
59.01249	8.9
68.99689	0.8
69.47038	1.5
69.47445	3.4
71.00851	0.8
71.01251	15.5
72.99169	2.5
73.02856	0.7
73.09569	0.8
75.00746	17.4
83.01260	1.0
85.02827	10.5
87.00757	8.8
89.02310	3.1
98.20525	0.9
99.00760	5.5
101.02309	2.3
111.00797	0.9
115.03873	0.9
121.02839	79.6
122.03163	2.1
129.01820	12.7
131.03487	0.7
135.04419	2.3
145.02855	3.0
159.02913	2.0
177.03957	100.0
178.04340	3.1
257.13882	1.5
299.07703	36.6
299.16623	6.1
300.07950	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	299.056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32533	0.2
56.11220	0.2
56.37371	0.2
59.01247	0.5
63.02256	1.2
65.00182	0.9
67.94476	0.2
69.03305	0.2
69.36886	0.6
69.37318	0.9
79.95614	0.9
83.01254	1.0
84.74516	0.2
89.02306	0.2
93.03333	0.3
98.50881	0.2
103.16798	0.2
104.02541	0.3
105.24866	0.2
107.01266	2.1
117.03361	1.0
119.04906	0.6
119.25962	0.2
121.02888	0.3
123.00789	0.2
123.04417	0.2
124.01488	0.2
125.02339	0.8
130.06456	0.2
132.02051	0.8
133.02823	0.8
134.03621	1.0
137.02348	0.3
145.02855	5.9
148.01530	0.2
149.02373	0.4
149.99518	0.4
151.00262	4.6
152.00922	0.2
158.03592	0.2
169.01312	0.3
171.04440	0.3
178.99776	0.9
181.12650	0.2
183.04471	0.5
187.03906	0.6
188.04671	0.2
195.04456	0.2
199.03888	0.6
200.04707	0.5
200.10751	0.4
211.03932	0.9
212.04713	0.4
215.03485	0.2
225.11047	0.2
227.03447	3.0
228.04057	0.5
228.95442	0.2
239.03450	0.5
241.03564	0.2
242.00777	0.2
243.02946	0.3
255.02934	1.9
256.03732	29.1
257.04065	1.8
271.02438	0.7
283.02405	0.9
284.03238	100.0
285.03592	6.9
299.05582	69.7
299.16418	8.3
299.25833	0.4
300.02411	0.4
300.05902	6.0
300.16791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.5
59.01250	9.0
61.98692	1.0
69.03316	2.9
69.35351	2.4
71.01250	3.6
71.04513	0.3
71.04893	0.9
72.99177	0.4
73.02818	0.6
79.95570	0.3
83.04875	0.7
85.02824	0.8
85.06453	0.5
89.02310	3.9
91.03876	1.1
93.03335	0.6
95.04913	0.4
98.19808	0.7
101.02322	2.3
106.04106	0.4
107.04912	0.3
109.06469	0.6
111.08049	0.5
113.02329	1.3
119.03434	1.5
125.09660	0.5
135.06541	1.6
135.11613	0.4
140.66945	0.4
141.05074	0.3
141.09148	0.3
143.03410	0.5
149.09558	0.8
152.06444	0.3
153.09073	0.5
161.04460	0.9
161.13319	0.6
163.26776	0.3
167.10681	4.6
177.12704	0.8
179.05476	0.7
179.10735	1.5
179.14310	3.9
180.14633	0.3
183.26204	0.3
195.13837	12.0
196.14157	0.7
205.12267	11.7
206.12653	0.9
223.13342	100.0
224.13673	6.1
238.14957	0.3
253.18060	0.4
297.04092	0.6
297.11859	4.3
297.17166	2.7
297.24319	3.5
298.17374	0.4
298.24765	0.6
318.51285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
56.58808	0.4
56.69833	0.4
59.01250	2.7
61.41011	0.4
63.64801	0.4
65.53530	0.3
70.38961	1.2
70.39308	0.5
71.01236	1.4
83.57964	0.4
85.50211	0.4
89.02301	1.6
101.02304	0.8
101.11220	0.4
113.02309	0.6
116.63563	0.4
119.03378	0.5
137.73421	0.4
139.11130	0.4
141.12746	2.2
142.75130	0.3
145.34421	0.4
145.35577	0.4
155.10678	13.1
156.10979	0.6
161.04475	0.5
171.10208	0.7
183.01105	1.5
277.61716	0.4
279.23288	13.0
280.23615	0.8
295.22675	1.2
297.11850	1.2
297.15225	4.9
297.24319	100.0
298.15509	0.6
298.24686	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	297.1491
Annotation	Iso-Olomoucine
Peak:m/z	Relative Intensity
59.01247	2.5
68.15888	0.3
71.01234	1.6
85.02826	0.5
87.75899	0.3
89.02303	1.2
90.48400	0.3
96.41688	0.3
98.20185	2.2
101.02314	1.0
111.11595	0.3
113.02338	0.5
119.03381	0.7
135.06537	0.8
141.53108	0.4
145.02870	3.1
146.03641	0.7
173.02327	1.6
174.03140	8.2
183.01135	6.1
183.08064	1.2
187.03929	0.9
197.02722	0.6
206.02126	6.4
213.05501	3.0
227.07088	1.3
228.07828	1.6
297.14960	100.0
297.24152	1.6
298.15323	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1495
Annotation	8-Geranyl-7-hydroxycoumarin
Peak:m/z	Relative Intensity
52.19599	0.3
53.92687	0.3
70.05421	1.2
95.03977	0.4
98.19836	0.3
99.97009	0.3
128.09802	0.3
148.61543	0.3
149.02309	0.4
159.04439	0.3
167.50934	0.3
171.04422	1.0
173.02327	1.2
174.03114	0.4
181.26271	0.3
183.01100	1.2
187.03903	3.8
197.09688	0.5
197.93492	0.3
199.03905	3.5
201.05504	1.1
213.09210	0.7
215.63367	0.3
225.05469	0.4
227.07062	3.0
239.07014	1.8
241.08679	5.7
242.09421	11.1
243.09727	0.5
274.08456	19.0
275.08804	1.3
281.11807	1.6
282.12619	0.9
297.14938	100.0
298.12341	0.3
298.15274	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	297.1493
Annotation	Acerogenin B
Peak:m/z	Relative Intensity
57.03302	0.7
59.01247	12.4
71.01254	7.6
72.99157	1.3
73.02812	1.5
79.95617	0.8
85.02820	2.1
87.00761	0.7
89.02313	9.7
101.02322	5.4
103.81985	0.6
113.02290	3.1
119.03374	3.0
125.02267	0.6
130.04144	2.1
135.04309	0.6
135.06563	4.2
143.03436	1.3
145.02853	0.9
161.04454	2.4
169.12195	1.1
173.02319	1.7
174.03145	8.5
179.05554	2.9
183.01137	11.9
183.13814	4.9
184.01706	1.3
187.03952	0.8
188.30472	0.5
197.15359	0.6
206.02142	8.7
213.05499	3.8
214.06287	0.6
227.07169	3.8
228.07826	1.8
229.37450	0.8
279.23206	3.2
297.11890	6.9
297.15009	100.0
297.24316	46.4
298.15332	7.4
298.24658	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	297.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	46.4
57.03564	7.8
59.01249	42.4
64.73149	7.8
70.41705	22.3
71.01261	11.5
75.09119	8.1
78.95010	7.6
85.02809	10.7
89.02309	10.6
98.19852	11.4
99.04377	8.4
109.06461	24.2
111.04420	8.1
111.38639	6.5
113.34709	6.7
117.15414	6.4
131.03409	11.8
135.08066	23.7
137.09576	26.5
163.11234	17.1
177.09105	49.0
193.12312	100.0
194.12584	7.5
211.13303	11.2
235.13330	25.8
297.11771	9.1
297.24255	16.6
310.08334	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	297.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04065	0.8
53.22291	0.7
54.95286	0.8
56.67503	0.7
57.03325	4.0
59.01250	29.3
63.51799	0.7
69.56790	5.6
71.01263	2.0
72.99178	15.3
73.02810	1.2
82.70464	0.7
83.04920	1.1
85.02827	10.1
87.00737	1.7
89.02323	2.1
95.04896	1.5
97.06506	1.6
99.00777	1.1
99.04369	0.9
99.76459	0.7
101.02345	1.8
109.06440	1.5
111.04440	1.1
121.06435	1.0
123.08021	2.4
133.06464	0.8
135.04448	0.9
135.07993	2.0
137.05991	0.9
137.09610	5.2
139.07642	0.7
142.75966	0.8
149.09627	3.1
151.07550	2.2
151.11227	1.1
153.09109	17.4
153.12689	1.0
163.11217	1.9
165.12679	0.9
173.09659	1.5
175.11197	9.8
176.08311	2.2
177.09151	0.8
179.10695	1.2
190.15862	0.9
191.10771	6.7
193.12276	5.9
194.12468	1.0
196.06465	0.9
202.08298	0.7
211.13309	2.2
218.53995	0.8
237.11304	11.6
241.14243	1.2
255.12343	100.0
256.12744	7.3
297.04089	0.9
297.13528	7.7
297.24432	2.3
298.13589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07004	5.2
52.73063	5.7
57.03319	54.6
57.05687	4.9
59.01247	42.4
71.01281	7.6
71.28519	10.9
85.02831	9.3
103.64150	5.2
109.06469	21.9
111.04392	13.2
135.08054	26.6
137.09615	24.4
163.20245	5.6
177.09137	55.2
191.10622	6.5
193.12280	100.0
211.13283	12.3
235.13383	13.2
276.99097	6.4
294.26318	5.5
297.24094	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	297.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03049	3.6
57.03321	62.1
59.01250	59.1
69.03316	5.5
70.27904	7.2
70.28278	4.4
71.01247	5.7
73.02823	5.5
83.01208	2.6
85.02814	9.3
89.02314	2.4
99.04405	5.4
109.06468	27.2
111.04408	14.4
113.02278	2.2
121.06495	2.3
121.10034	2.0
123.08005	5.4
135.08054	35.9
137.09622	28.1
149.09598	6.1
151.16359	2.3
153.09114	3.3
163.11221	18.1
167.10648	11.0
177.09119	80.2
178.09467	2.9
191.10709	9.2
193.12277	100.0
194.12566	5.6
211.13361	18.6
217.12254	3.9
227.64003	2.2
235.13263	14.5
246.06471	2.1
297.24274	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	297.1189
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01739	1.7
57.03321	2.6
58.00464	2.7
59.01249	100.0
70.35233	4.9
70.35580	1.7
71.01249	55.4
72.99186	3.9
73.02809	9.2
73.77283	1.5
75.76181	1.6
77.27655	1.6
80.39045	1.6
81.03311	1.6
83.01241	4.7
85.02825	16.6
87.00737	3.8
89.02316	65.1
95.01265	4.8
97.02792	1.6
98.19956	2.3
99.00748	2.3
100.46198	1.8
101.02327	43.5
103.03911	1.8
113.02312	26.1
115.59466	1.4
117.05423	2.9
119.03387	24.8
123.15707	1.6
135.06523	36.0
143.03380	2.8
149.04437	2.3
159.02905	2.4
161.04416	10.5
179.05518	8.1
193.12187	1.6
237.09749	5.2
297.11877	36.2
297.24228	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	297.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	30.7
59.01245	100.0
70.69041	37.8
71.01254	61.1
73.02795	13.1
89.02296	55.1
101.02308	37.9
113.02300	17.9
119.03373	25.6
135.06560	29.4
135.07994	19.1
145.88631	10.4
158.70270	12.4
161.04410	16.8
177.09100	30.4
193.12247	56.8
211.13243	13.2
297.11984	66.0
297.24155	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	297.0403
Annotation	Kanzakiflavone 2
Peak:m/z	Relative Intensity
56.90150	0.3
59.01252	5.8
59.75847	0.3
61.98706	0.4
62.43143	0.3
63.02272	3.4
65.00191	4.0
67.01765	0.7
68.99683	1.2
71.01250	2.7
71.10190	0.7
73.02801	0.5
74.53094	0.3
83.01279	0.5
85.02789	0.8
87.00735	0.5
89.00195	1.8
89.02320	3.9
91.01778	1.1
92.99693	0.5
93.03353	0.5
94.42731	0.3
95.01270	0.5
101.02323	1.9
105.03360	0.6
107.01273	2.7
111.00777	1.0
112.11014	0.3
113.02309	1.2
117.03344	16.2
118.03662	0.4
119.03387	1.4
119.04906	0.4
120.06815	0.3
121.02822	1.3
131.01305	2.6
131.12721	0.3
132.99246	0.3
135.00760	1.5
135.04391	0.6
135.06534	1.1
143.03365	0.3
149.02354	5.0
151.00269	1.3
159.04417	2.5
161.02339	1.2
161.04480	0.9
166.34146	0.3
169.06487	0.4
175.00266	4.7
176.55125	0.3
176.98222	3.5
177.01840	7.4
178.99773	18.1
179.05559	0.8
180.00119	0.8
181.06493	0.5
182.03737	0.4
183.04410	2.2
185.02335	1.4
193.01291	0.5
193.97169	0.4
195.04428	0.6
196.05190	0.5
197.06021	0.6
197.42264	0.5
201.05530	1.1
202.36708	0.3
223.03920	0.8
224.04655	0.4
225.05432	1.7
227.03439	2.3
251.03442	1.1
253.01303	0.4
269.04544	30.0
270.04901	2.4
295.02496	12.7
295.05811	0.7
296.02890	0.9
297.04037	100.0
297.20966	0.7
297.24368	2.7
298.04373	7.9
298.07373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.8
61.38191	0.8
69.03316	1.0
70.27013	1.7
70.27412	2.0
93.98710	0.8
103.39986	0.9
125.09606	2.0
128.34042	1.0
141.12732	1.1
171.10170	55.3
172.10541	1.3
183.10187	3.1
200.05241	1.0
251.23630	1.1
264.55640	1.0
277.21695	73.9
278.22058	6.2
295.22760	100.0
296.23160	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
59.01251	3.1
65.45078	0.4
70.09112	1.9
71.01250	1.1
72.99169	0.8
83.04915	0.8
95.01250	0.4
98.20485	0.6
98.95465	1.7
127.11198	0.9
130.55022	0.5
133.04958	0.5
141.12741	8.9
155.14297	3.8
198.01074	0.4
207.28053	0.4
215.95746	0.4
231.21089	0.5
233.83827	0.4
249.22195	8.4
250.22417	0.6
260.99850	0.5
277.21759	0.8
295.22751	100.0
296.23120	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	295.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.0
57.32938	0.4
59.01252	4.6
71.01228	1.1
71.21253	0.7
71.21588	0.7
71.63258	0.4
73.02798	0.5
73.64557	0.4
73.78307	0.4
85.02818	0.5
90.39117	0.4
96.55177	0.4
97.06482	0.7
100.23588	0.4
101.02303	0.8
111.08048	0.4
113.09589	1.8
143.56644	0.4
179.14336	1.1
181.12215	0.6
183.13754	2.7
195.13817	23.3
196.14143	1.1
251.23845	0.9
277.21695	20.7
278.22083	1.7
295.22757	100.0
296.23059	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	295.2276
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
51.73414	0.7
55.07041	0.5
55.93718	0.6
57.46905	0.5
59.01253	9.8
59.77077	0.5
60.20419	0.5
71.01255	1.6
71.44743	1.3
85.02813	0.8
101.02314	1.3
112.77021	0.5
113.02359	0.9
113.09580	1.0
116.29150	0.5
124.12669	0.5
133.04976	0.8
133.41766	0.5
154.74451	0.6
177.12807	1.2
179.14359	0.7
195.13835	37.6
196.14154	1.2
209.15402	1.6
225.14896	2.2
233.22867	0.7
233.95491	0.5
259.20941	0.6
277.21704	46.7
278.21960	3.0
295.22772	100.0
296.23157	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	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03343	0.7
59.01241	1.1
69.03318	0.7
71.10622	0.6
71.10944	0.7
71.83432	0.4
76.17384	0.4
79.04740	0.4
99.08023	0.8
107.54650	0.4
113.09594	0.8
116.30528	0.5
125.09635	0.7
127.11157	0.7
139.11122	0.8
155.10683	1.4
171.10184	18.5
172.10526	0.6
183.10197	6.7
195.13835	8.1
225.14035	0.5
277.21701	31.1
278.22003	2.7
295.22769	100.0
296.23117	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	295.1452
Annotation	112225-87-3
Peak:m/z	Relative Intensity
57.03074	0.7
59.01249	8.2
61.99015	0.8
67.05972	0.6
68.67130	0.7
71.01252	2.3
71.52357	0.8
79.95626	1.2
85.02832	1.2
85.08270	0.8
85.29287	0.8
89.02358	1.0
101.02324	1.2
107.83262	0.7
112.80804	0.7
113.02326	0.9
120.04440	100.0
121.02856	1.1
121.04797	3.3
130.06519	1.7
138.10275	0.8
138.79657	0.7
166.76596	0.7
174.05521	6.9
174.09154	9.6
218.97443	0.7
253.09280	0.9
295.14496	85.0
296.14853	5.9
312.32001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2274
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03308	0.9
57.56835	0.3
58.43669	0.2
59.01250	5.2
63.04184	0.3
68.36642	0.2
70.39886	0.2
71.01241	1.2
71.52476	0.4
83.04895	0.3
85.02813	0.5
89.02316	0.3
97.06475	0.5
101.02306	0.9
113.02265	0.4
113.09602	2.8
121.02919	0.3
121.19971	0.3
133.04985	0.5
159.84854	0.3
161.04431	0.4
177.12782	0.5
179.14311	1.2
181.12178	0.7
195.13824	18.1
196.14101	0.8
235.08037	0.4
253.08919	0.4
275.19873	0.3
277.21707	17.8
278.22015	1.7
295.22745	100.0
296.23120	8.8
313.64276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03297	0.5
58.44818	0.5
59.01231	1.9
63.19547	0.6
70.27117	2.1
74.20622	0.6
77.97301	0.5
79.50523	0.5
86.46440	0.5
86.62803	0.6
97.06482	0.8
99.08104	0.5
112.66389	0.5
113.09571	1.1
125.09613	0.9
137.46341	0.6
139.72893	0.5
171.10175	28.3
172.10487	1.3
177.12781	0.8
183.10165	1.9
195.13834	8.2
259.20822	0.6
277.21701	40.9
278.22134	3.3
295.22760	100.0
296.23123	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	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.3
57.03316	6.8
58.00461	3.2
59.01247	83.4
60.11564	1.2
68.99667	1.3
70.74471	2.0
70.74788	2.1
71.01247	39.1
72.99178	5.9
73.02812	4.5
75.00729	1.5
82.47256	1.2
83.01244	4.9
85.02823	37.9
87.00743	2.7
89.02317	32.2
95.01225	2.9
99.00748	1.9
101.02319	29.1
111.00751	3.4
113.02331	15.3
115.03928	2.6
119.03375	19.9
119.04853	1.4
121.02844	38.8
128.70230	1.2
129.01816	14.0
131.03403	2.1
133.04924	1.9
133.06499	1.2
143.03383	1.9
143.04994	1.8
161.04472	7.3
161.05962	3.0
163.03932	2.1
163.07790	1.3
173.00885	1.5
179.05528	3.2
189.05457	4.6
235.08221	2.8
295.10342	100.0
296.10828	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	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43915	0.6
53.60145	0.6
55.01753	2.1
57.03320	1.4
58.00473	2.3
58.74793	0.7
59.01247	100.0
60.01567	0.6
64.91335	0.6
69.70480	3.7
69.70884	1.2
71.01251	39.3
71.04897	1.6
72.99171	2.1
73.02819	4.9
75.00743	2.3
75.68006	0.6
82.03979	0.7
83.01269	2.8
85.02818	11.9
87.00753	3.0
89.01759	1.3
89.02310	24.8
95.01257	2.4
97.02785	0.9
99.00756	1.5
101.02320	20.6
103.91045	0.7
113.02326	13.5
115.03896	2.5
119.03381	10.4
125.02271	1.1
126.48273	0.6
128.38271	0.7
133.04948	2.1
136.74960	0.6
137.38068	0.7
143.03426	1.1
145.04926	0.7
161.04449	4.7
166.87059	0.8
179.05525	1.3
235.08157	2.8
237.06036	0.8
295.10312	47.2
296.10629	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	295.0457
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
55.37288	0.9
57.03321	2.9
59.01255	12.1
59.62844	1.0
69.17020	9.5
69.17435	2.4
71.01251	28.3
72.99177	31.9
75.00748	10.7
80.34433	1.0
83.01259	1.8
85.02818	16.6
86.03180	1.2
89.02342	1.8
101.02336	1.9
111.00785	2.1
113.02315	1.6
121.02840	32.9
129.01826	3.8
133.06499	2.3
135.04433	10.2
161.05994	2.5
179.03412	1.5
189.05476	1.8
223.06097	1.7
235.07127	1.8
251.05576	100.0
252.05905	5.7
295.04684	2.4
295.10107	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60064	0.3
57.03311	1.1
59.01247	6.5
60.99171	0.7
67.01760	4.1
69.03320	0.9
69.32753	2.8
71.01257	3.0
77.03516	0.3
81.03321	0.9
83.01207	0.3
83.04862	1.2
85.02821	1.3
87.00746	0.4
93.03328	23.0
94.03655	0.8
96.59075	0.3
99.00751	0.3
101.02336	0.6
109.02866	0.8
111.00760	0.9
111.04393	4.5
113.02309	0.5
121.02835	24.1
121.06357	0.3
122.03140	0.7
127.03931	0.4
129.01807	0.4
134.03645	0.3
137.02342	4.2
141.01860	0.3
149.02307	0.9
155.03401	3.5
163.03848	0.3
164.04720	0.5
173.04468	100.0
174.04799	2.8
190.02582	0.4
193.01369	0.8
208.03685	0.9
223.06065	2.4
285.54291	0.3
295.08081	4.1
295.11032	0.4
296.08310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0981
Annotation	Nitrothal-isopropyl
Peak:m/z	Relative Intensity
54.21793	3.4
59.01243	43.7
61.86833	3.9
61.98706	4.2
65.03827	6.6
71.01249	10.4
71.52486	3.7
80.02543	12.0
85.02818	4.8
91.01774	5.3
91.05585	3.7
93.03345	4.0
101.02306	6.5
108.02047	55.5
109.02849	72.2
134.05956	7.6
135.00786	6.5
136.01543	7.2
137.02386	7.8
152.01033	9.2
153.01816	6.1
161.04488	5.1
165.43129	3.6
202.77783	3.9
251.09172	17.0
264.06686	5.4
267.08609	11.8
276.05975	6.9
276.08762	100.0
292.12122	3.8
294.09619	15.9
295.10214	6.4
295.18921	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	294.2072
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
57.03305	2.9
57.41372	1.2
59.01242	10.5
61.48653	1.1
61.98699	2.8
66.03341	1.5
68.04918	4.6
71.01246	2.0
71.52642	1.3
80.44238	1.6
84.04427	2.5
85.02840	1.5
89.02322	2.0
91.95953	1.2
92.04916	1.6
94.02843	5.1
95.07420	1.3
101.02309	2.9
110.05995	2.8
122.05973	3.1
138.32903	1.4
153.12753	8.4
155.14296	1.3
169.15840	6.2
181.15831	4.0
188.54431	1.6
195.17468	15.6
204.17369	1.8
222.18571	100.0
223.18825	7.0
250.21732	94.7
251.22061	8.2
294.20767	68.4
295.10400	1.4
295.13876	3.5
295.21118	4.7
306.08539	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
57.03316	1.0
59.01249	6.3
59.57485	0.4
61.98711	0.8
68.70587	0.4
69.03323	0.9
69.53709	0.4
71.01247	4.1
73.02808	0.9
74.07117	0.4
79.95611	1.2
80.96364	0.7
85.02840	1.0
87.00754	0.7
88.48761	0.4
89.02323	2.7
90.36144	0.5
95.01035	0.4
96.95864	0.6
97.02834	0.7
97.06457	0.7
97.76878	0.5
98.19772	0.9
101.02336	1.0
111.08028	0.7
113.02331	0.6
113.09524	0.6
119.03318	0.4
127.87985	0.5
131.03378	1.2
132.93279	0.4
136.08846	2.2
141.71707	0.4
143.03383	0.7
148.66930	0.4
161.04477	1.8
167.10652	0.5
177.09116	0.6
179.14360	1.4
181.12199	0.5
192.11513	1.9
193.15927	4.1
194.16226	0.6
195.13837	14.3
196.14317	0.8
205.12215	1.0
205.15887	0.9
211.13388	1.0
220.14621	2.4
221.15416	4.7
223.13342	10.6
224.13853	1.2
228.13600	1.7
235.16965	0.5
236.10526	4.0
249.18526	1.3
256.13083	3.4
265.21628	0.6
275.20139	8.5
276.20465	0.7
293.08850	4.5
293.21201	100.0
294.21533	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	293.2486
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
50.37435	0.9
58.15146	0.8
70.12384	4.5
71.01228	1.0
96.95889	18.4
206.76416	0.9
221.15349	2.5
236.10403	1.6
270.73099	1.0
293.17929	13.6
293.24850	100.0
294.25140	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	6.1
59.01241	2.0
63.32392	0.4
64.64391	0.6
68.11673	0.5
69.85674	1.9
71.01250	0.6
96.31740	0.5
97.06458	1.0
109.06433	1.1
113.09599	16.9
121.10104	6.4
125.11344	0.5
139.11160	2.0
149.09509	0.6
167.10658	1.9
171.10168	13.3
177.12781	0.7
179.10667	1.4
183.10152	1.0
190.98799	0.6
195.13914	2.8
210.18381	0.5
231.21146	1.2
249.22159	1.9
273.18994	0.6
275.20139	17.2
276.20465	2.3
293.21210	100.0
294.21530	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	293.2121
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
51.88330	0.3
52.57205	0.3
57.03311	0.7
59.01247	1.7
69.03314	0.8
71.01248	1.7
71.21654	0.9
72.99187	0.8
73.02810	0.4
77.92580	0.3
78.46340	0.4
81.03310	0.4
83.04874	0.6
83.93134	0.3
85.02833	0.7
85.06432	0.6
89.02315	1.1
96.95882	0.6
97.06474	0.5
101.02352	0.4
109.06490	0.6
113.09609	2.3
125.09584	0.6
131.03377	0.5
139.11192	3.3
153.12733	1.2
153.38527	0.4
161.04437	1.6
171.10164	0.4
191.17975	2.8
192.18239	0.4
195.13895	0.7
220.14595	0.8
221.15381	1.5
224.14105	0.6
229.19624	0.5
236.10561	1.7
237.88278	0.5
245.19044	0.6
247.20715	3.4
275.20129	1.5
293.09012	2.4
293.21198	100.0
294.21524	8.9
296.50897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
57.03319	4.5
59.01248	6.5
61.98697	0.9
65.19502	0.4
69.03310	0.6
69.55605	1.1
69.56025	1.8
71.01254	3.7
73.02817	1.1
85.02850	1.2
89.02308	2.4
97.02823	0.8
97.06448	0.9
101.02301	0.6
109.06476	0.5
113.09607	15.1
114.09904	0.5
123.08006	0.5
125.09594	1.1
131.03432	0.9
139.11166	1.5
149.09608	0.7
153.12662	0.4
161.04428	1.6
163.06046	0.4
167.10640	1.3
171.10175	0.9
177.09151	0.7
177.12668	0.5
179.10677	1.6
183.13777	0.6
185.11731	1.8
192.11501	0.9
193.90549	0.4
195.13861	2.5
197.11629	0.6
205.12216	0.9
220.14597	4.3
221.15384	8.9
221.18770	0.4
235.17123	0.7
236.10484	6.1
237.10902	0.8
249.22159	1.9
275.20172	3.1
293.08850	6.0
293.21204	100.0
294.21524	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	293.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20529	0.2
59.01242	0.6
71.01248	8.6
71.39360	0.5
101.05957	0.3
127.07514	1.0
141.64951	0.2
142.80206	0.2
148.05154	1.5
151.07547	0.7
164.08321	1.5
177.09123	5.1
178.09596	0.2
190.09923	0.6
192.11478	6.7
193.12128	0.5
195.13828	0.3
205.12267	7.1
206.12579	0.4
207.13774	1.3
217.08607	0.5
218.09367	1.7
219.09807	0.3
220.14618	50.5
221.15393	100.0
222.15739	5.6
235.13362	1.3
236.10484	73.4
237.10847	5.1
262.50540	0.2
293.08676	0.6
293.17609	7.9
293.21216	2.8
294.17969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68237	0.8
57.03310	0.9
59.01238	3.5
71.01237	1.0
71.04892	5.7
104.96558	0.8
191.17999	1.1
194.15381	0.9
209.15416	2.2
221.15442	1.7
223.16940	5.9
229.10571	0.9
231.21146	2.3
235.16988	46.9
236.17358	3.5
249.22231	0.9
275.20135	46.7
276.20541	3.8
293.08820	1.7
293.21204	100.0
294.21558	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	293.2121
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
59.01239	1.3
60.63235	0.6
69.21069	5.6
69.21472	1.4
84.02155	0.7
98.19780	1.1
113.09685	0.8
167.10728	1.1
179.14339	1.2
195.13843	15.0
196.14461	1.8
205.12253	1.5
205.15891	0.9
208.18593	0.7
211.13347	1.3
223.13350	12.5
224.13940	0.9
228.13594	1.7
256.13071	3.9
265.21597	0.8
275.20135	9.4
291.93539	0.7
293.21201	100.0
294.21530	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	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00565	0.5
55.01753	1.3
58.00445	1.9
58.41820	0.5
59.01247	35.2
70.63410	0.6
70.63746	1.3
71.01252	21.4
72.99156	2.0
73.02801	1.3
75.75818	0.5
83.01251	2.0
85.02820	7.1
85.06457	15.1
86.91534	0.5
87.00748	1.2
89.01756	1.0
89.02315	19.5
95.01238	1.3
101.02319	13.1
107.88798	0.5
113.02323	6.8
113.05975	4.0
115.07526	1.8
119.03391	7.8
124.64676	0.5
127.07510	1.7
131.07030	55.9
132.07375	1.7
143.03410	0.6
145.02794	1.3
147.02870	1.2
161.04501	1.2
163.44966	0.5
173.08099	2.5
179.05490	0.8
203.74713	0.5
293.12405	100.0
294.12790	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49438	0.7
50.57337	0.7
56.95322	0.7
59.01249	21.5
69.73031	2.9
69.73443	1.1
71.01251	1.5
87.00767	0.7
89.02309	2.2
93.03329	18.4
94.03678	1.0
98.20605	1.0
102.02941	0.7
104.62631	0.8
108.02056	1.0
117.03350	5.9
119.04908	18.7
121.02838	87.3
121.06447	1.2
122.03167	2.7
130.40959	0.7
131.01276	0.9
135.04413	3.0
137.06018	2.0
145.02809	0.9
147.04431	12.1
159.08022	1.3
161.04419	1.1
163.03928	1.8
165.05472	100.0
166.05804	4.2
171.08092	1.0
173.02237	1.5
175.00272	3.5
181.21649	0.7
182.94711	0.8
189.09152	1.6
206.34491	0.7
246.20459	0.8
249.11205	0.9
251.09305	1.7
293.04550	19.1
293.09149	1.7
294.04648	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.0
58.00467	1.4
59.01248	35.9
60.49600	0.6
71.01250	21.6
71.07144	1.2
72.99162	2.4
73.02819	1.8
83.01242	1.8
85.02819	5.7
85.06449	13.0
85.17098	0.6
87.00728	1.4
89.02312	19.1
92.21350	0.5
95.01263	1.1
97.02782	0.5
100.00271	1.3
101.02316	13.1
104.87367	0.6
107.71110	0.6
113.02332	7.8
113.05976	3.9
115.07534	1.6
119.03394	8.5
127.07529	1.9
131.03357	1.3
131.07028	57.7
132.07344	1.7
139.77594	0.5
144.02843	0.7
148.06204	1.5
149.04526	0.6
161.04460	1.6
171.24214	0.6
173.08055	1.6
179.05505	0.9
232.06245	0.6
293.12408	100.0
294.12759	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16607	0.8
57.78627	0.8
59.01248	23.7
69.55120	0.9
69.55526	4.9
71.01246	2.6
85.02806	1.1
87.00745	1.5
93.03328	17.0
97.76710	0.8
98.20573	1.3
108.02130	1.0
117.03333	5.8
119.04913	20.7
120.05260	1.0
121.02836	96.5
121.06429	1.7
122.03159	2.2
123.04361	1.2
131.01268	1.5
135.04427	5.2
135.05283	0.9
137.06000	1.8
145.02887	1.1
145.53590	0.8
147.02818	1.0
147.03255	1.3
147.04422	12.5
149.02295	0.9
156.05676	1.4
159.07999	1.2
163.03908	2.7
165.05469	100.0
166.05814	3.8
173.02258	2.1
175.00275	3.1
251.09265	2.0
293.04498	18.7
293.09784	1.0
293.13617	1.4
294.04819	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	292.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77929	0.3
59.01244	0.4
61.85015	0.3
71.32212	0.8
72.27850	0.3
78.78021	0.3
102.03365	7.3
116.04940	0.9
130.06511	1.0
130.31651	0.3
131.06041	100.0
132.06398	3.8
142.06531	2.3
146.02402	0.8
149.07101	52.8
150.07478	1.7
156.13852	4.3
221.15363	0.7
223.19566	0.3
236.10472	0.7
261.49423	0.3
263.44693	0.3
265.34216	0.4
292.14539	59.1
292.19952	1.4
293.14865	5.1
293.20859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2329
Annotation	Grevillol
Peak:m/z	Relative Intensity
50.99059	1.6
59.01233	3.1
60.57176	1.8
69.95098	2.9
69.95441	8.7
70.74709	2.0
110.80663	1.5
209.01161	2.3
222.45442	1.6
282.14792	1.9
291.09061	35.5
291.23267	100.0
292.09161	5.0
292.23581	8.0
303.74878	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	292.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46743	2.0
57.35901	2.1
59.01241	7.5
68.02399	4.7
70.14767	6.8
71.01254	3.7
75.88339	2.2
80.02541	25.4
91.01732	2.9
105.02068	7.1
107.01267	15.1
108.02048	97.1
123.00761	4.6
133.01569	10.1
135.00771	6.7
136.01559	25.3
143.04936	2.2
152.01056	59.3
153.01648	3.1
161.01085	100.0
162.01547	6.5
205.04660	2.1
247.06117	33.7
265.07071	19.2
274.07196	73.9
275.07538	5.5
292.08194	6.9
292.20135	3.1
293.08765	6.6
293.21222	4.4
301.54330	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	292.1191
Annotation	Chlorantene B
Peak:m/z	Relative Intensity
57.81199	0.4
59.01259	1.4
63.29293	0.4
65.03851	0.6
69.56434	0.5
70.66160	0.5
70.66479	1.2
71.01268	0.7
79.05409	1.3
83.04939	1.3
89.02339	1.0
91.01797	0.8
93.03322	4.0
106.04117	4.7
107.04897	6.5
108.02050	3.2
109.02864	1.9
119.04917	0.5
121.02829	2.8
122.03618	4.5
130.04181	2.2
133.02820	1.0
136.01550	1.3
137.02377	0.6
138.03175	1.3
143.04929	5.1
144.05714	2.5
145.06474	3.9
145.10248	0.6
147.08060	5.1
149.02328	5.6
150.03137	2.2
150.05542	1.5
151.41273	0.5
157.06476	1.2
158.07260	0.7
159.04405	0.6
159.08073	5.2
160.08411	0.7
161.02354	9.9
162.03137	1.2
171.08023	1.0
173.09525	5.5
173.10812	2.0
175.07619	1.1
182.02130	0.6
183.08046	1.8
187.03928	0.9
188.04684	0.7
189.05505	0.6
189.09138	1.4
191.10706	1.2
199.07597	1.1
201.05527	1.5
201.09106	0.8
203.05173	1.0
203.07063	16.8
203.08926	1.0
203.10699	3.3
204.07413	1.8
207.08983	0.6
216.08054	0.7
217.08612	3.6
221.11768	7.0
229.08716	0.7
245.08223	1.1
247.09723	100.0
248.10182	7.8
265.10788	31.8
266.11163	2.1
274.10861	5.7
292.11880	62.9
293.08786	1.3
293.12408	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	291.1965
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.37488	0.3
55.31472	0.3
56.85400	0.3
59.01239	0.7
64.21342	0.3
70.84436	0.8
73.02813	52.6
74.03147	1.0
79.12715	0.3
79.95620	0.3
121.02846	0.3
169.16141	0.3
191.56409	0.3
214.05394	0.3
220.27165	0.3
291.19641	100.0
292.19992	10.0
312.25122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.82994	0.3
59.01241	0.4
69.70288	0.3
71.07973	0.6
77.56270	0.3
82.31666	0.3
118.51576	0.3
119.04923	0.3
120.37804	0.3
125.05958	0.8
126.79214	0.3
127.07534	0.3
148.08824	1.2
149.09680	0.3
150.10384	0.8
151.11200	0.7
163.11194	0.8
165.12747	20.3
166.13066	0.8
175.11163	0.7
176.11990	0.6
177.12709	0.5
191.14297	0.6
209.45107	0.3
216.05565	0.4
217.15770	0.5
247.20628	10.6
248.20966	1.0
273.18576	6.2
274.18872	0.7
291.19638	100.0
292.19980	9.8
292.23346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
57.03307	1.8
59.01245	2.5
69.20467	1.8
69.20888	4.2
83.04898	1.2
95.04885	1.3
98.20572	1.1
109.06458	0.6
111.07288	1.2
111.08037	14.7
112.08400	0.6
137.09590	1.1
149.09573	1.1
167.10672	1.6
177.12683	2.9
179.10667	2.0
195.13844	8.1
203.14352	0.6
203.28142	0.7
234.17383	0.6
247.20674	2.7
273.18604	0.7
291.19647	100.0
292.20032	9.3
311.14993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1397
Annotation	Phyllalbine
Peak:m/z	Relative Intensity
59.01228	0.4
93.03322	0.8
111.08009	0.9
119.08544	0.8
121.02842	4.4
121.10069	0.5
139.11183	0.3
145.02859	0.4
151.02647	14.5
159.08038	0.4
164.03439	1.5
165.12845	0.4
171.10161	0.4
172.03909	0.5
175.07527	0.5
180.13269	0.3
183.01654	10.0
184.01802	0.3
185.03473	1.1
185.11728	0.6
188.03438	0.4
188.07059	0.8
190.05003	5.4
191.05750	1.8
192.06538	0.6
201.09135	0.3
204.06598	3.7
205.07370	5.9
229.19649	0.4
232.25072	0.3
236.59540	0.3
236.63652	0.3
247.20596	0.7
260.06586	0.6
261.06943	0.3
263.20059	0.6
272.12830	0.6
273.18637	1.5
290.13959	100.0
291.14288	8.2
291.19568	14.9
301.11713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
51.19207	1.4
53.64806	1.4
57.03312	2.0
59.01237	3.4
73.02819	2.9
75.42654	1.3
76.46414	1.5
78.96809	1.5
83.04882	2.0
97.06464	97.1
98.06776	2.5
103.51921	1.5
121.02827	2.0
175.11244	1.6
180.16391	1.4
183.13876	3.9
191.36830	1.4
193.12257	29.9
194.12831	3.1
206.23849	1.7
207.80530	1.6
211.13329	85.7
212.13681	6.4
224.18170	1.6
229.24788	2.1
263.20139	4.9
273.18622	4.9
275.29388	1.6
291.19644	100.0
292.19986	8.8
304.44699	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	289.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.4
63.62365	0.2
69.36961	0.5
69.37367	1.5
83.04867	0.4
85.02872	0.2
85.06520	0.4
93.03336	3.2
106.04126	35.0
107.04941	8.1
108.02035	0.7
119.04902	1.9
121.02818	0.7
138.03122	9.1
139.03452	0.3
145.06541	0.3
146.07248	0.6
147.08040	1.8
149.02289	0.3
150.03123	7.5
150.04338	0.4
151.03406	0.2
152.57655	0.2
159.08101	1.5
161.09566	0.4
175.11195	25.2
176.11542	1.5
182.02133	11.0
183.02512	0.4
187.11252	0.5
203.38924	0.2
215.14404	2.2
217.15848	0.4
219.10213	1.1
225.12717	1.4
227.14372	3.8
228.14664	0.2
245.15424	6.2
246.15775	0.5
271.13528	0.4
289.14450	100.0
290.14804	9.6
309.92615	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	0.5
69.30804	2.2
70.58340	0.2
84.86285	0.2
93.03329	3.9
94.03714	0.2
95.15013	0.2
103.01190	0.2
106.04118	32.2
107.04988	1.4
108.02033	0.9
119.04916	0.6
121.02817	1.0
138.03120	10.5
139.03383	0.3
143.04889	0.5
145.06419	0.4
146.07294	0.7
147.08052	4.4
149.02348	0.4
150.03117	14.1
151.03587	0.3
159.08125	0.4
161.09625	8.1
162.09937	0.3
169.10179	0.3
172.08803	0.7
175.11203	0.9
182.02118	23.9
183.02429	0.7
183.08020	0.4
187.03973	0.3
187.11200	16.5
188.11485	0.6
189.12766	1.0
190.06239	1.1
191.07047	2.3
205.08635	4.1
205.10443	0.5
215.05260	0.3
225.12756	1.7
227.14365	4.3
228.14668	0.6
231.10248	3.9
245.15419	2.5
271.10767	0.3
271.13416	2.9
289.14429	100.0
290.14798	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	289.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59679	0.4
59.01229	0.9
69.34440	2.9
69.34862	2.1
81.33448	0.6
90.78259	0.5
92.04951	0.9
93.03331	5.9
106.04118	28.7
107.04446	0.7
108.02032	0.9
119.04807	0.9
121.02841	1.4
138.02042	0.7
138.03122	12.6
146.07272	1.2
150.03111	13.5
151.02650	0.9
157.99408	0.5
172.08815	1.2
182.02121	27.8
187.11198	23.5
188.11510	1.2
190.06297	1.4
205.07339	0.7
225.12778	2.6
227.14439	4.2
231.10223	6.6
245.15529	3.1
271.13354	2.4
288.75189	0.7
289.14453	100.0
290.14316	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	289.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74177	2.2
74.59077	0.3
83.04872	0.4
85.06443	0.8
92.04945	0.7
93.03335	1.7
94.06498	1.7
98.20560	0.4
104.04929	0.5
105.03371	0.4
106.04120	47.0
106.06496	6.1
107.04939	9.0
108.02035	1.2
108.04471	0.5
119.04919	2.8
120.04464	1.9
121.02838	0.6
121.05214	0.8
122.05998	6.3
123.03165	0.9
123.06303	0.4
132.04468	1.4
136.03935	0.4
138.03122	12.3
138.05487	11.4
138.06575	0.6
139.05878	0.4
145.06476	0.4
146.07326	0.4
147.08058	1.7
148.03951	0.7
150.03122	10.0
150.05515	3.4
151.03459	0.4
159.06818	0.8
159.08127	1.3
161.09627	4.5
166.05014	0.7
174.12935	0.5
175.11191	34.0
176.11546	1.8
182.02112	14.0
183.02541	0.7
185.09845	0.5
188.07051	0.4
189.07869	1.0
190.95476	0.3
190.99696	0.3
202.12315	1.4
203.07242	0.4
203.09340	0.5
205.08652	2.5
215.11823	1.0
215.14301	0.4
217.07449	2.4
219.10231	1.6
226.07501	0.4
227.12189	0.5
227.14381	1.5
229.09772	0.5
231.08989	0.9
231.11176	0.5
234.49356	0.4
241.09802	2.0
243.11383	2.1
245.15430	5.6
246.11354	1.6
246.15511	0.4
259.10895	1.4
271.10822	3.3
271.13226	0.4
289.11887	9.1
289.14493	100.0
290.12106	0.8
290.14856	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	289.1445
Annotation	3-Polyprenyl-4,5-dihydroxybenzoate
Peak:m/z	Relative Intensity
54.51506	0.2
57.03318	0.6
68.04853	0.2
69.31409	2.3
83.04906	0.7
85.06495	0.3
93.03329	6.9
94.03654	0.4
106.04126	32.4
107.04930	8.9
108.02058	0.8
108.05273	0.4
119.04929	2.4
119.08533	0.4
121.02845	1.1
121.10166	0.3
137.02338	0.4
138.03127	10.8
139.03459	0.5
143.04944	1.6
145.06473	0.4
146.07280	1.2
147.08075	1.6
150.03119	2.9
150.98401	0.2
159.08063	3.2
163.07597	0.3
175.11197	11.9
176.10162	0.3
176.11502	0.6
182.02118	3.7
183.02269	0.3
183.08102	0.3
187.11209	0.7
215.14374	5.3
217.15927	0.7
219.10281	0.6
225.10765	0.5
225.12781	3.0
226.13347	0.3
227.12144	0.3
227.14359	5.4
228.14734	0.5
241.66655	0.3
245.15442	6.8
246.15765	0.6
271.13373	0.3
274.05795	0.4
289.14447	100.0
290.14795	8.8
290.17426	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68969	0.3
59.01242	0.7
61.12272	0.3
61.32097	0.3
69.23949	0.8
69.24372	2.7
71.01234	0.4
76.82615	0.3
83.04898	0.5
93.03341	3.5
98.20571	0.7
106.04123	34.5
107.04931	7.8
108.02043	0.8
108.05235	0.7
119.04925	2.7
121.02839	1.0
122.03145	0.4
132.11125	0.4
138.03119	13.4
139.03429	0.7
143.04907	0.9
146.07251	0.6
147.08084	1.6
150.03131	6.0
159.08072	1.3
171.39549	0.3
175.11200	24.1
176.11496	1.2
182.02130	11.3
182.03746	0.7
183.02536	0.5
203.07097	0.5
215.14342	2.8
219.10239	1.2
225.12843	1.7
227.14339	4.4
245.15436	7.1
259.02548	0.5
274.05579	0.7
289.14441	100.0
290.14807	8.8
305.06912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03838	0.4
91.01744	0.5
93.03331	1.0
106.04131	1.9
107.04911	0.8
108.02045	0.6
109.02838	0.8
111.00838	0.3
119.04888	0.9
121.02837	4.2
122.03641	5.0
123.04436	0.4
127.44735	0.3
130.04140	9.2
131.04407	0.4
132.96643	0.4
133.02817	0.9
134.03716	0.3
135.04387	0.4
138.03038	0.4
143.04915	4.5
144.05731	2.0
144.48640	0.3
145.06483	7.6
148.42223	0.3
149.02342	0.8
150.03130	1.1
157.06480	4.7
158.07227	1.5
159.04442	1.7
159.08054	6.2
160.05197	0.5
161.02344	2.5
161.05963	1.5
162.03114	1.0
165.01843	2.2
170.07259	0.4
171.08037	1.6
173.05971	0.9
177.01842	0.9
177.12769	1.1
182.02083	0.6
182.58411	0.3
183.08067	0.4
185.05981	0.7
187.03973	2.3
188.04509	0.9
190.06271	0.5
201.05502	1.5
202.06215	0.8
211.11218	0.9
225.12798	0.4
227.14360	5.1
245.15495	2.2
271.13376	36.9
272.13763	3.5
287.88690	0.3
289.14432	100.0
290.14792	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	289.1444
Annotation	Lappalone
Peak:m/z	Relative Intensity
57.03320	0.5
69.49323	1.2
69.49733	0.9
83.04881	0.3
90.34227	0.3
90.80563	0.3
93.03327	8.2
106.04118	43.3
107.04993	2.3
108.02050	0.7
119.04930	0.5
121.02843	0.7
121.10074	0.5
123.08041	1.1
132.05658	0.5
137.02408	0.3
138.03116	12.9
139.03419	0.5
143.04909	0.8
146.07239	1.5
150.03108	7.0
151.03445	0.3
152.94131	0.3
159.08090	0.5
161.09605	0.5
168.12794	0.3
169.10179	0.4
172.08826	1.6
182.02116	10.8
183.02454	0.4
183.08067	0.9
187.11194	24.8
188.11566	1.7
190.06238	1.0
211.11162	0.5
225.12761	3.5
227.14384	4.6
228.14651	0.5
231.10220	2.6
245.15382	1.2
271.13373	1.0
289.14432	100.0
290.14789	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	288.1603
Annotation	Mesembrine
Peak:m/z	Relative Intensity
54.20721	0.2
59.01247	0.6
61.98697	0.2
69.26025	2.0
81.03329	1.0
85.97257	0.2
92.04932	0.9
93.03333	1.0
98.19865	0.6
98.20557	0.5
107.03646	0.3
108.02048	0.5
108.04437	3.5
109.02828	3.7
119.08530	0.4
121.02831	0.7
124.01519	0.5
134.02367	39.8
135.03185	7.6
136.03934	35.4
137.02350	1.6
137.04245	1.3
146.54688	0.2
148.03925	0.8
149.04720	1.5
150.02696	0.3
174.94821	0.2
176.03453	5.2
177.04099	0.8
181.03636	0.3
190.05000	0.7
204.06517	0.3
288.16034	100.0
289.16293	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	289.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26495	0.6
59.01245	1.8
67.73077	0.6
69.83165	3.6
73.54969	0.8
83.04873	0.9
93.03323	0.9
105.03218	0.7
107.04910	0.7
109.06477	1.1
119.08519	1.3
121.02872	0.8
122.03654	1.1
128.10202	0.8
133.99954	1.1
147.08049	1.1
149.02347	7.8
150.03049	1.3
152.51871	0.7
161.02332	3.2
161.99416	3.2
165.09100	2.2
167.52608	0.7
175.03952	1.1
175.07558	6.4
177.01860	1.2
187.07559	1.6
188.04691	1.8
189.05467	1.1
193.08615	4.4
199.03862	0.9
203.07068	42.0
204.07399	2.6
215.06978	0.7
216.04385	1.0
231.06570	25.9
232.06866	1.4
244.03580	1.4
245.19057	1.6
259.06088	100.0
260.06430	6.2
271.17065	1.3
274.08444	89.1
275.08786	6.1
289.10809	84.2
289.14398	23.5
289.17996	12.2
290.11127	8.8
290.14789	2.5
290.18161	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39253	0.4
55.87226	0.5
57.03314	0.5
58.00473	0.6
59.01247	100.0
60.01583	1.1
69.03339	0.4
71.01249	11.9
72.99183	1.0
73.02818	6.4
73.13390	0.4
76.30560	0.4
79.93264	0.4
83.01241	2.4
85.02820	3.1
87.00749	0.6
89.02312	7.6
95.01263	0.9
101.02317	7.1
102.05490	0.4
102.98530	0.6
112.69444	0.4
113.02328	4.8
119.03384	2.6
122.06007	1.0
125.02387	0.5
126.44225	0.4
127.00289	0.5
143.03391	0.9
146.04509	1.5
149.04622	0.4
161.04448	1.0
187.09584	0.6
222.30029	0.4
247.12039	0.5
270.04919	0.6
289.07587	0.5
289.11053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68361	0.3
59.01233	0.5
84.39349	0.3
98.31776	0.3
106.04112	1.7
107.04922	2.3
108.02064	0.5
119.04916	0.6
121.02794	0.5
121.06478	3.4
123.04354	0.4
125.02322	0.4
130.04161	0.3
131.56807	0.3
132.05681	0.5
133.06418	0.3
138.03108	0.5
146.03650	0.3
155.08556	0.3
159.08133	0.4
164.04694	3.9
166.02582	0.4
173.09625	0.6
177.05426	0.4
181.26013	0.3
196.03700	6.7
196.05357	0.6
203.07080	1.0
204.08015	0.4
217.08614	0.6
218.09372	0.9
229.15967	2.8
229.23262	0.5
241.15913	3.3
242.16228	0.4
243.17535	2.0
269.15442	1.3
287.16507	100.0
288.16861	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	287.1651
Annotation	4-hydroxyestradiol
Peak:m/z	Relative Intensity
55.81997	0.2
59.01258	0.4
70.81320	0.4
70.81660	0.5
88.93261	0.3
91.78165	0.2
91.89204	0.2
105.03343	0.3
106.04129	0.3
121.01962	0.5
121.02838	8.6
123.04370	0.4
125.02313	0.3
149.02338	20.7
150.02748	0.8
159.08072	0.4
164.04681	7.1
165.05270	0.4
168.44069	0.2
177.05484	0.4
187.03802	0.3
196.03700	14.9
197.03983	0.8
203.07071	1.8
204.07846	0.3
217.08679	0.4
227.14316	0.4
231.13861	0.4
287.16507	100.0
288.16852	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	287.1289
Annotation	Celaphanol A
Peak:m/z	Relative Intensity
57.03313	1.0
59.01251	2.8
61.15009	0.3
65.03833	0.5
69.49877	2.4
79.05384	2.1
83.04888	1.9
87.39292	0.4
93.03329	19.0
97.06433	0.4
105.06963	0.6
106.04124	7.8
107.04908	7.3
107.08519	0.5
108.02097	0.4
117.03354	1.0
119.04915	5.3
119.08543	7.9
121.02835	0.8
121.06458	1.4
122.28453	0.4
123.00745	0.8
123.08031	0.4
125.02310	0.7
133.02757	0.4
133.68549	0.3
135.04358	0.4
135.08022	0.8
137.09595	3.8
138.03122	4.2
143.04932	6.2
144.05536	0.4
145.06483	1.2
147.08043	0.7
151.00278	0.6
153.01808	0.5
157.06471	5.5
157.69949	0.4
158.07103	0.5
159.08047	7.1
160.08339	0.6
165.51614	0.4
169.06522	0.6
170.07263	1.3
171.08040	0.4
172.08838	0.8
173.09631	1.4
182.02173	0.5
183.08070	8.7
184.08553	0.7
185.09615	1.3
197.09685	0.8
201.05440	0.5
209.09637	1.2
211.11290	3.1
213.12755	3.3
223.11217	1.6
225.12773	10.1
225.14854	0.4
226.13080	0.4
227.16464	0.6
229.03375	0.5
229.08629	1.2
243.13879	8.9
244.14276	0.8
245.17519	3.6
246.17865	0.5
257.02811	1.8
269.04510	0.4
272.05197	2.7
278.60858	0.4
287.06119	2.2
287.12866	100.0
288.13181	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	286.072
Annotation	Citrusinine II
Peak:m/z	Relative Intensity
54.85955	0.2
70.34456	0.4
70.34843	0.6
95.13729	0.2
121.37637	0.2
146.28874	0.2
147.41676	0.2
156.04436	3.5
158.02373	0.4
183.04564	0.2
184.03955	3.3
185.04158	0.2
186.05569	0.2
191.05424	0.2
197.04767	0.2
198.03188	0.5
199.03931	0.3
200.03427	2.0
212.03465	1.0
225.04204	0.5
226.02647	0.6
226.05011	0.4
227.03447	1.8
228.02962	12.6
229.03380	0.5
242.04527	2.2
253.03748	0.4
254.02083	0.7
254.04579	2.0
255.02959	7.3
255.05499	0.4
256.02481	71.8
257.02789	4.1
270.01080	0.3
270.04065	8.1
271.04840	100.0
272.05170	7.2
274.99524	0.2
286.07190	38.4
287.07550	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	286.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81987	0.2
59.56924	0.2
63.53189	0.2
69.34489	1.5
98.19716	0.3
104.83474	0.2
113.33015	0.1
121.02840	0.2
123.67715	0.2
126.18488	0.2
127.81737	0.2
127.99017	0.2
129.97563	0.2
184.03932	0.7
200.03442	0.6
212.03442	0.3
228.02960	21.1
229.03288	1.3
256.02481	56.9
257.02795	3.5
270.04135	0.2
271.04837	100.0
272.05173	7.3
273.21097	0.2
286.07181	21.7
287.07462	1.7
287.12671	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01237	0.8
61.98690	0.5
65.42443	0.4
68.54210	0.4
70.02843	1.3
70.85558	0.6
70.85880	0.6
74.05978	1.9
83.04891	0.4
86.56902	0.3
95.89671	0.4
109.87619	0.4
115.05394	0.6
117.06165	0.8
117.06980	12.4
117.07807	0.7
118.05014	0.9
119.59370	0.4
125.02320	0.4
125.09595	1.0
126.25318	0.4
142.82109	0.4
200.03035	0.4
218.08562	0.4
227.01971	0.4
228.02800	2.4
240.23241	3.7
242.21193	1.1
245.15149	0.4
250.17830	0.3
255.01649	0.7
256.02362	10.3
257.02539	0.9
268.22794	1.1
270.04062	0.8
271.04590	15.1
272.04974	1.0
286.04150	0.6
286.07043	9.6
286.23862	100.0
287.07410	1.3
287.12994	1.5
287.16504	9.9
287.24252	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	287.0923
Annotation	Pranferol
Peak:m/z	Relative Intensity
53.63182	0.6
57.03301	1.3
59.01250	1.1
61.98701	0.4
62.80930	0.4
65.00195	0.4
65.03812	0.6
69.03287	0.4
70.24393	1.6
71.01241	0.7
83.04900	3.1
93.03313	0.6
97.06444	1.1
102.04642	1.7
106.04102	1.2
107.04892	1.1
109.02921	0.5
115.05413	2.0
117.03358	3.9
117.06978	53.8
117.67992	0.4
118.07304	1.8
119.04913	1.2
119.08539	0.8
121.02808	0.5
123.08035	0.9
125.02316	1.0
125.09615	6.0
129.03365	0.5
130.04094	1.6
133.02840	1.1
138.03078	0.5
143.04929	2.3
144.05721	0.9
145.02823	1.9
145.06500	2.4
146.06923	0.4
147.04407	1.2
147.08026	0.9
149.02373	0.9
157.06467	1.4
159.04462	1.2
159.08051	1.9
161.02339	16.9
162.02919	0.5
163.03889	0.9
171.08054	0.8
173.02357	7.8
173.09575	0.9
174.03130	9.0
175.03836	1.1
185.02365	1.1
187.03944	3.2
188.01048	1.2
189.01923	0.5
201.01851	100.0
202.02277	6.2
203.03423	41.6
204.03793	1.6
216.07649	0.7
217.08589	0.9
225.16357	0.8
229.05072	3.7
243.10229	1.1
243.13852	1.5
243.17525	0.9
257.02768	1.7
259.09811	0.6
269.08237	0.6
269.15240	0.4
272.05090	2.5
287.09268	9.9
287.12906	19.4
287.16507	40.7
288.09589	0.9
288.13409	0.9
288.16751	3.2
305.13910	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	286.0719
Annotation	Citrusinine II
Peak:m/z	Relative Intensity
57.82653	0.5
70.39003	2.0
89.05197	0.6
89.96723	0.5
92.03987	0.5
94.40628	0.6
95.40192	0.6
180.04181	0.6
184.04012	0.9
212.03455	2.2
227.05771	1.1
228.02956	7.2
229.03046	0.5
238.01349	0.8
242.04553	0.7
242.08260	0.7
254.04430	0.9
256.02475	100.0
257.02817	6.2
258.07712	0.8
270.04037	0.9
271.04825	96.1
272.05099	6.5
285.27359	0.5
286.07178	74.7
287.07550	5.7
287.13474	0.6
287.16434	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	286.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94764	0.2
65.26097	0.2
65.45580	0.2
69.35480	1.6
107.04904	0.5
107.99312	0.2
121.02829	1.1
149.02307	0.6
184.03973	0.7
200.03624	0.5
212.03471	0.4
228.02963	18.7
229.03299	1.1
256.02481	71.1
257.00220	0.4
257.02820	5.1
257.05505	0.2
266.60025	0.2
268.00638	0.2
270.04001	0.5
271.04840	83.7
272.02521	0.2
272.05151	5.9
286.07190	100.0
287.07544	6.9
287.12796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20119	0.5
57.03322	3.6
59.01250	54.4
61.48147	0.5
61.98704	0.5
70.54961	1.4
72.99189	0.5
83.04892	0.5
84.42580	0.5
100.91389	0.5
115.21810	0.5
119.04925	1.8
123.04411	0.8
133.02879	0.5
151.00241	0.6
153.12749	6.0
155.10669	5.3
156.04431	3.1
165.01840	0.6
165.12686	0.6
167.10736	0.5
169.15811	0.6
172.64714	0.5
179.14333	20.5
180.14758	0.9
181.15996	0.6
183.13852	2.7
184.03906	2.6
197.15410	2.2
199.03804	0.7
200.03444	0.7
211.13341	7.6
211.15251	1.0
212.03447	0.7
225.14902	16.9
225.17145	0.9
226.15254	1.3
227.03705	0.9
228.02960	9.4
237.29636	0.5
242.04582	2.5
243.15985	100.0
244.16335	6.1
254.04550	0.8
255.03232	4.3
256.02484	51.0
270.04086	11.6
271.04852	74.3
284.26761	0.8
285.03665	3.3
285.06427	3.0
285.11896	0.6
285.17047	6.8
285.20688	2.7
285.27014	2.0
286.04083	1.3
286.07193	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	285.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.5
59.01248	25.6
61.64317	0.3
67.13854	0.3
69.37946	0.8
69.38350	3.1
77.66563	0.4
80.81202	0.3
83.04866	0.8
85.06518	0.5
97.06470	0.8
139.11224	1.0
163.11147	0.9
164.34920	0.4
165.12695	0.5
175.76677	0.4
179.14349	1.9
195.13899	0.6
197.15392	13.0
198.15742	0.8
225.14906	19.8
226.15254	0.6
229.05038	0.4
243.15974	100.0
244.16302	6.5
256.03320	0.4
275.83887	0.5
285.04041	5.9
285.17056	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	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79726	0.3
57.03316	0.6
57.86737	0.3
58.18124	0.3
59.01250	31.1
62.52870	0.3
71.52827	0.4
71.53236	0.5
83.04894	0.9
84.26065	0.3
85.06445	0.5
97.06469	0.7
110.02290	0.3
123.55240	0.3
134.65028	0.3
139.11179	1.4
163.11153	1.1
165.12799	0.4
167.14336	0.3
179.14351	1.8
181.12236	0.6
195.13837	1.2
197.15384	18.0
198.15700	0.7
225.14906	19.3
226.15190	1.2
241.14465	0.4
243.15977	100.0
244.16331	5.5
285.04129	1.4
285.08151	0.3
285.17105	6.1
285.20490	0.5
286.17493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28720	0.2
57.03321	0.2
59.01249	39.0
60.01570	0.3
69.18034	0.4
69.18436	2.0
71.01257	0.6
72.99170	0.3
73.02820	0.5
83.04895	3.0
84.02037	0.3
85.02800	0.3
86.14589	0.2
96.95873	0.5
97.06462	3.5
97.07022	0.3
99.04389	0.4
109.02849	0.2
109.57928	0.2
123.07989	0.3
139.11174	1.3
141.12738	0.4
143.67642	0.2
144.04480	0.2
151.11234	0.3
152.01015	0.2
153.12756	0.3
158.62509	0.2
159.36452	0.2
163.11200	0.6
167.14334	1.9
179.14319	3.6
181.15924	0.5
195.13834	0.8
197.15390	15.5
198.15723	0.7
225.11299	0.9
225.14908	17.3
226.15213	1.0
241.09799	0.8
241.14343	0.6
242.11800	0.6
243.12099	2.5
243.15977	100.0
244.16322	5.9
256.02374	0.2
269.74036	0.2
285.03958	1.6
285.17065	11.4
285.27151	0.3
286.07199	0.4
286.17429	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.5
68.87544	0.2
70.90801	0.6
75.75140	0.2
78.95753	0.5
94.52708	0.3
118.02851	0.3
144.04422	1.2
154.06502	0.4
168.04471	1.5
170.06006	1.3
174.05490	1.1
181.05176	0.3
183.03105	1.4
184.04015	1.3
184.10391	0.4
186.05542	0.6
196.03966	1.3
197.04752	2.2
198.05516	12.6
198.07332	0.6
199.02676	1.0
199.05817	0.6
200.03479	4.3
211.13387	0.4
212.03482	1.6
214.05078	2.0
224.03479	2.8
225.04347	0.6
226.04942	0.5
227.02164	4.3
228.02866	0.6
234.46719	0.3
240.02858	2.0
241.03760	14.7
242.04535	39.3
243.04970	2.1
254.02228	0.4
255.01683	13.4
256.02335	1.8
268.02490	8.1
268.05453	0.4
269.03137	0.9
270.04056	100.0
271.04468	8.2
284.05698	0.4
284.26663	1.7
285.04068	1.4
285.06454	19.7
285.20752	1.4
285.27039	0.5
286.06949	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	285.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.4
63.01970	0.4
63.02267	3.6
65.00195	5.2
69.24300	2.3
69.24712	0.3
72.62816	0.2
74.88139	0.3
78.95798	0.3
80.02544	1.2
83.01254	5.2
83.04892	0.2
93.03324	0.5
97.02812	0.3
107.01266	10.2
108.02052	9.4
119.04916	1.5
123.00736	1.5
124.01548	0.6
133.02788	0.4
136.01555	11.0
137.01849	0.4
145.02893	0.3
151.00270	9.3
152.00661	0.3
156.05727	0.3
159.04437	0.9
160.05251	0.5
161.20700	0.3
163.09645	0.3
164.01062	20.5
165.01813	1.6
169.01337	0.9
175.07559	2.6
177.01826	1.0
183.04480	0.3
184.05247	0.4
185.02428	0.3
186.03128	1.2
187.03868	0.7
187.88242	0.3
196.00056	14.3
197.00458	0.6
197.06026	0.3
198.06775	0.9
199.02605	0.3
199.07555	1.2
200.04709	1.0
201.05550	1.6
211.13383	0.3
215.07080	1.1
215.16634	0.2
216.00690	0.4
217.08633	1.3
225.05482	0.3
226.06313	1.1
226.20454	0.2
227.03630	0.7
228.04279	0.7
241.08665	1.1
241.18137	0.6
242.04256	0.7
243.06602	7.4
244.07060	0.6
255.01714	3.4
256.02423	1.5
257.08167	0.3
267.05023	1.3
269.04477	0.3
269.99597	0.3
270.03854	7.2
271.04825	2.1
284.26761	1.3
285.07675	100.0
285.20612	0.9
285.27060	0.7
286.07983	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	285.0404
Annotation	Fisetin
Peak:m/z	Relative Intensity
59.38610	0.1
63.02250	1.1
65.00197	1.1
65.03815	0.1
67.01754	0.2
69.19992	1.3
79.01766	0.2
83.01241	1.4
84.03061	0.1
91.01762	0.3
93.03331	2.7
95.01250	0.4
107.01279	1.7
108.02042	0.7
109.02816	1.0
111.76747	0.1
115.05305	0.2
117.03343	1.2
118.62652	0.1
119.01266	0.3
121.02805	0.2
123.00762	0.4
123.04380	0.6
130.04128	0.3
131.04883	0.2
132.02058	0.3
133.02824	0.5
135.00778	0.7
136.01595	0.2
137.02296	0.5
141.07016	0.2
143.04916	1.3
145.02859	1.2
147.04411	0.2
151.00269	2.2
153.01828	0.2
154.04150	0.7
155.04893	0.6
156.05675	0.3
157.02805	0.5
157.06488	0.7
158.03618	0.4
159.04414	1.5
161.02361	0.5
161.05908	0.2
163.00282	0.9
164.01035	0.6
165.01825	0.4
167.04903	0.9
168.05666	0.4
169.01309	0.2
169.06517	1.2
169.57759	0.2
171.04402	1.4
173.02325	0.7
173.05980	0.3
183.04414	0.5
184.05183	0.6
184.07686	0.2
185.06003	2.4
185.07748	0.3
187.03943	2.1
188.04237	0.2
189.05429	0.3
195.04379	0.4
196.05188	0.3
197.05899	0.2
198.03056	0.2
199.03918	0.3
201.05461	0.5
210.03085	0.2
211.03932	1.5
211.13281	0.6
212.04568	0.2
213.05470	1.0
214.02580	1.0
215.03415	0.6
223.20621	0.2
227.03499	0.8
229.05035	1.8
239.03410	1.8
240.04129	0.4
241.05061	0.4
243.02956	0.8
255.02884	0.5
256.03659	0.3
257.01068	0.2
257.04462	0.9
267.02795	0.2
268.03687	0.4
270.03952	0.2
271.04803	0.3
284.03323	0.2
284.26746	0.5
285.04010	100.0
286.04391	7.2
286.07120	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21315	0.3
61.57400	0.3
65.04870	0.2
69.23054	2.7
69.85095	0.2
83.95722	0.3
100.39874	0.3
147.18633	0.3
174.01883	0.3
190.68262	0.3
199.02657	5.3
227.02182	15.8
228.02541	1.3
241.03734	0.3
242.04492	1.3
245.63014	0.3
255.01694	49.8
256.02188	4.3
265.87134	0.3
270.04056	100.0
271.04449	9.3
284.26700	0.9
285.06418	39.0
285.20746	0.6
285.27151	0.4
286.06906	4.6
286.23956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1702
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
51.27736	0.3
52.72078	0.3
59.01237	1.6
61.07264	0.4
69.77702	1.1
69.78115	0.8
71.01248	0.5
76.86572	0.3
98.19867	0.7
104.94280	0.4
106.04182	0.4
107.04901	100.0
108.05243	2.6
123.04414	0.5
159.41063	0.4
163.11188	98.2
164.11525	4.3
195.13849	0.6
223.13249	0.8
241.14423	2.4
261.86774	0.4
268.03748	0.4
283.17029	84.0
283.22830	4.9
283.26337	33.0
284.17328	7.1
284.26715	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	284.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50600	0.3
56.23951	0.3
63.96129	0.3
69.03320	14.3
69.80820	0.5
69.81237	1.3
73.02805	1.5
87.04386	3.2
98.54246	0.3
127.07702	0.3
129.05733	23.8
130.06038	0.9
144.73730	0.3
155.07314	1.1
161.04733	11.1
184.11243	100.0
185.11600	5.2
187.06291	1.0
210.12827	2.4
242.97594	0.3
270.04034	0.9
283.26297	0.4
284.16544	4.1
284.26801	1.7
285.14944	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	283.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91540	0.5
57.03321	5.0
59.01248	20.4
69.77215	2.8
83.04887	4.1
97.06458	3.7
98.80678	0.5
123.08048	1.4
136.98666	0.6
137.09644	1.6
139.11150	0.9
149.09572	2.0
151.11182	1.4
163.11205	5.8
164.09927	0.5
165.12752	1.0
167.14276	0.6
177.12788	1.2
179.10690	0.7
179.14285	2.2
186.22281	0.6
195.13850	17.3
196.14214	0.7
203.98178	0.4
223.13351	20.4
224.13689	1.7
240.40001	0.5
241.14415	100.0
242.14752	8.5
283.15564	6.4
284.15915	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62152	0.4
57.03318	5.1
57.72491	0.4
59.01246	20.0
65.75524	0.4
69.48386	1.0
69.48814	1.7
71.47120	0.3
77.29388	0.3
83.04893	4.9
84.64616	0.4
97.06456	3.5
107.04861	0.4
121.06466	0.6
123.08035	0.7
137.09619	1.9
139.11214	0.9
149.09613	2.2
151.11098	0.9
161.09647	0.5
163.11169	6.9
165.12764	1.8
167.14340	0.7
167.92516	0.3
177.12726	1.4
179.10693	0.5
179.14272	2.3
195.13835	19.3
196.14250	0.4
223.13336	19.9
224.13657	1.3
239.12904	0.4
241.14403	100.0
242.14716	5.0
283.15475	6.0
283.26608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1549
Annotation	Botryaloic acid
Peak:m/z	Relative Intensity
57.03322	4.4
59.01246	5.3
60.99172	0.7
69.03316	3.2
69.25083	5.1
71.01247	8.3
72.02031	17.5
73.02812	1.8
77.72854	0.5
81.03289	1.1
83.04890	7.6
85.01035	1.7
85.02817	1.6
87.04380	17.2
90.47012	0.4
97.06451	2.4
98.03611	5.6
99.04391	3.1
108.75391	0.5
109.06481	0.6
111.08029	6.7
123.08044	1.2
125.09644	0.5
129.00041	0.8
132.34149	0.5
134.25203	0.5
137.09604	1.6
139.11172	3.5
149.09622	1.3
151.11179	3.5
159.56963	0.5
165.12758	9.6
166.13075	0.8
167.14308	6.8
177.12703	1.0
185.15387	1.3
195.13841	4.5
197.15382	23.0
197.17220	1.2
198.15689	1.0
201.12776	0.7
203.14357	1.7
208.09114	0.5
209.15355	0.9
211.13354	2.8
211.16884	2.3
221.15392	5.2
222.15538	0.5
224.14272	0.5
239.16472	100.0
240.16811	7.9
240.19106	0.9
241.14441	7.1
242.14868	0.5
283.09943	1.0
283.15479	0.6
283.26419	9.6
284.26700	0.7
296.36163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0611
Annotation	Genkwanin
Peak:m/z	Relative Intensity
59.01243	2.2
59.39903	0.2
63.02261	1.4
65.00198	0.8
70.34418	0.8
71.01268	0.4
83.01271	1.4
83.04903	0.3
89.02297	0.2
101.02322	0.4
107.01263	2.5
117.03366	0.7
121.04921	0.3
123.00768	0.3
141.60094	0.3
148.01593	0.6
149.99486	0.9
151.00269	3.2
152.00578	0.3
158.03629	0.3
169.01337	0.5
171.04446	1.3
172.05173	0.8
184.05191	0.6
195.04477	0.6
195.13780	0.4
195.19073	0.3
196.05211	1.0
199.03928	0.6
200.04631	0.8
201.02515	0.4
211.03900	2.0
212.04648	0.8
223.13344	0.7
239.03427	4.1
240.04225	5.1
241.04567	0.4
241.14407	3.1
255.02933	0.2
256.09833	0.3
267.03018	2.0
268.03735	100.0
269.04083	8.7
279.05511	0.3
283.06091	74.7
283.19446	0.6
283.26382	18.9
284.06448	6.1
284.09317	0.9
284.26666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.5
63.02256	1.0
65.70520	0.3
79.95585	0.3
83.01250	0.7
89.02319	0.5
101.02291	0.5
107.01280	1.8
117.03331	5.0
121.02794	0.3
126.12572	0.3
140.14359	0.3
148.01540	1.4
148.47185	0.3
149.99443	0.7
151.00266	2.4
151.29633	0.3
165.01794	0.6
171.04433	1.2
172.05176	0.6
184.05284	0.7
195.13823	0.6
196.05217	0.9
200.04666	0.7
201.02493	1.3
211.03894	2.2
212.04668	0.6
219.13870	0.4
222.66763	0.3
223.13358	0.5
223.71503	0.3
229.22209	0.5
239.03445	4.4
240.04289	4.9
241.14381	2.9
253.52054	0.3
267.02930	2.3
268.03745	100.0
269.04089	8.3
280.90564	0.4
283.06097	97.6
283.26398	29.2
284.06448	8.2
284.09460	0.8
284.16553	1.3
284.26776	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	62.2
59.01237	6.1
60.07647	1.2
70.35775	2.0
70.36134	5.1
71.01251	7.4
72.02034	6.5
80.67489	1.3
81.06953	2.3
83.04897	55.0
87.04387	100.0
88.04733	2.0
95.04928	6.1
97.06461	34.3
98.03619	4.3
109.06499	1.7
111.08086	1.8
113.05968	14.0
114.62248	1.3
121.06471	3.7
123.08069	3.2
131.39627	1.2
135.08026	3.9
137.09621	23.1
139.07538	3.3
148.90356	1.4
149.09625	3.8
151.11166	2.7
153.09088	13.0
155.57968	1.3
163.11150	1.4
165.12773	11.6
177.12753	2.6
195.13837	31.4
196.14127	3.1
201.12689	1.3
209.15402	3.0
219.13835	7.3
237.14909	51.4
238.15298	3.2
239.12979	2.2
250.57764	1.6
281.10223	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	281.2122
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
57.03308	0.7
59.01250	8.4
69.53872	1.2
69.54278	2.9
70.03029	0.5
71.01245	1.7
83.04889	0.9
85.02795	0.6
87.04404	0.6
88.09588	0.4
99.08035	3.3
101.02304	0.8
147.80708	0.5
150.06947	0.5
151.59608	0.6
177.12721	0.7
179.14281	1.0
195.12050	1.2
195.13834	21.4
196.14191	1.4
208.11244	0.8
218.66692	0.5
263.20145	19.9
264.20468	2.0
281.21216	100.0
282.14999	10.7
282.21591	9.9
282.24753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0841
Annotation	Guanosine
Peak:m/z	Relative Intensity
59.01243	2.3
71.01260	0.9
71.51017	1.1
82.03972	1.2
101.02310	0.7
101.60056	0.5
107.03499	4.5
108.01916	5.6
109.90638	0.5
126.02982	9.2
133.01448	30.2
134.01740	0.5
150.04108	100.0
151.02625	0.8
151.04420	2.3
190.46269	0.5
212.70749	0.5
241.14388	2.1
282.08408	29.3
283.08490	1.2
283.26398	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	282.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35597	0.3
69.03323	14.9
73.02805	1.4
79.61974	0.3
80.06159	0.3
87.04388	2.6
95.54942	0.3
98.20674	0.5
128.21025	0.3
142.06525	0.7
166.06528	24.0
167.06921	1.4
180.08096	2.8
182.09665	100.0
183.09995	6.7
192.08112	3.0
208.11284	2.3
223.31906	0.3
229.68523	0.4
252.13971	0.6
282.15018	3.0
283.26462	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	282.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19051	0.3
59.01240	2.7
63.25421	0.3
69.03316	1.2
71.01246	3.0
71.79132	0.4
73.02814	26.4
74.03148	0.6
79.75750	0.4
89.02281	0.5
98.20324	2.3
149.60872	0.4
150.59398	0.4
159.86026	0.4
166.06477	1.5
167.88202	0.3
168.08134	0.4
173.59900	0.4
180.08075	0.5
182.09662	8.9
192.08101	22.0
193.08464	1.4
195.13905	0.6
206.09662	2.1
208.11244	80.6
209.11595	6.9
223.13335	0.5
227.77048	0.4
229.12088	0.4
241.14401	3.4
265.18149	0.4
268.03757	0.9
282.14969	100.0
283.06238	0.9
283.10492	0.8
283.15396	9.0
283.18839	0.7
283.26398	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	283.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03293	0.2
59.01250	1.5
63.02264	1.3
65.00204	0.7
68.84997	0.2
74.91596	0.2
83.01247	1.2
83.04885	0.3
85.02798	0.2
107.01273	2.7
117.03363	0.8
122.57713	0.2
148.01517	0.7
149.99483	0.8
151.00282	3.1
158.03680	0.3
169.01311	0.4
170.61087	0.2
171.04451	1.1
172.05182	0.8
183.04466	0.4
184.05179	0.7
195.04437	0.4
195.13782	0.5
196.05209	0.6
199.03917	0.4
200.04671	0.8
211.03880	2.2
212.04663	1.3
223.13344	0.3
224.04614	0.3
233.99452	0.2
239.03458	4.6
240.04211	4.9
241.04657	0.3
241.14429	3.2
267.02969	2.1
268.03748	100.0
269.04105	7.9
283.06100	82.1
283.26404	8.2
284.06442	6.9
284.26810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98011	0.6
55.01749	4.3
56.15385	0.7
56.20314	0.7
57.03323	6.6
57.70652	0.6
58.00471	0.9
59.01248	21.8
69.03366	1.4
69.56370	4.9
71.01251	100.0
72.01579	1.2
72.99177	4.4
73.02814	20.7
83.01256	8.8
84.02024	0.7
85.02821	56.0
86.03138	0.8
87.00759	2.9
89.02318	6.9
95.01263	16.6
97.02837	1.9
98.19801	1.2
99.00745	8.9
101.02322	16.3
107.04896	0.8
111.00738	0.8
113.02325	79.4
114.02670	1.5
119.04912	62.7
120.05241	2.3
137.05963	5.0
139.00290	1.3
139.07452	0.7
139.61891	0.6
143.03369	0.8
143.32689	0.7
161.04480	5.3
196.47076	0.7
221.08290	0.9
245.06496	0.7
281.10309	16.1
281.13446	1.1
281.24759	2.0
282.10742	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
61.22804	2.4
69.71265	15.6
71.01251	7.5
75.89844	1.9
93.03340	2.7
101.02334	4.5
149.45030	2.9
205.32278	2.6
221.10236	4.5
281.24744	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	3.6
56.54291	1.7
57.03316	2.7
58.00428	1.9
59.01248	96.9
60.01583	1.7
65.52029	1.6
70.39238	5.5
71.01249	100.0
71.04877	1.7
72.99169	5.1
73.02818	26.7
83.01249	8.4
85.02821	29.8
87.00742	5.6
87.04382	2.3
88.90153	1.8
89.02313	84.2
95.01258	6.2
99.00720	10.7
101.02314	88.0
102.02637	2.0
104.57203	1.9
113.01537	2.9
113.02325	54.4
117.16005	1.7
119.03387	36.2
119.07030	13.1
124.42247	1.7
125.02295	2.7
129.01855	1.7
131.03384	3.5
133.01463	4.0
143.03378	10.7
149.04466	4.0
150.04091	12.5
159.02887	9.7
161.04451	59.0
162.04758	1.8
179.05524	9.3
187.69389	1.9
208.13022	1.7
237.08801	2.2
243.06331	2.2
281.08923	6.6
281.12384	79.3
281.24869	5.5
282.08282	5.1
282.12830	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	279.1963
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
57.03325	2.8
59.01252	4.6
71.01242	1.0
71.52549	0.7
83.04921	1.2
83.75160	0.5
85.11643	0.5
91.28188	0.5
96.95874	0.7
97.06451	0.7
99.08025	21.5
101.02336	1.0
107.08560	2.4
109.06441	1.0
123.08007	1.1
125.09593	2.6
149.09595	0.7
163.03885	0.6
167.10721	2.5
171.10159	8.1
177.12721	1.3
179.10715	2.5
195.13876	2.5
207.81987	0.5
235.17007	3.1
235.20706	2.1
261.18564	8.0
262.18881	0.8
279.19629	100.0
279.23181	18.7
280.19949	6.8
280.23013	1.0
298.04684	0.5
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	Chabrolol B
Peak:m/z	Relative Intensity
56.48577	0.6
59.01237	3.8
69.03319	0.7
70.09531	1.9
70.09930	0.9
71.01251	1.3
81.03298	0.8
83.04886	0.6
85.02847	0.7
97.06435	1.3
101.02312	0.9
108.13503	0.6
155.40143	0.6
167.10698	0.6
169.08591	1.3
169.12155	1.0
171.36172	0.6
179.14372	1.3
189.92931	0.7
195.13832	15.0
196.14275	1.1
205.12256	0.7
211.13423	1.1
217.19470	0.8
223.13335	10.1
228.13524	1.9
239.12851	0.6
244.78938	0.7
256.13196	4.8
261.18512	8.4
262.19055	0.7
275.88852	0.6
279.19659	100.0
279.23083	7.7
280.13266	0.6
280.20004	7.6
280.22900	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2326
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
63.90422	0.3
70.83867	0.4
70.84222	0.8
98.13958	0.3
106.01152	0.3
111.63902	0.3
112.17570	0.3
124.62260	0.3
135.05243	0.3
178.54550	0.3
191.91182	0.3
243.46396	0.3
279.23276	100.0
280.23602	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	280.0613
Annotation	Aristolactam AIIIa
Peak:m/z	Relative Intensity
51.55087	0.2
57.03318	0.3
59.01256	2.0
68.31232	0.2
69.03326	2.3
71.01247	0.4
73.62621	0.3
85.02802	0.3
87.04374	0.8
98.19858	0.7
109.58383	0.2
152.46077	0.2
161.04381	0.3
179.35220	0.2
180.08101	20.4
181.05174	0.4
181.08437	1.0
197.04659	0.3
206.09671	1.7
209.04802	1.5
221.04749	2.0
236.03542	0.3
237.04263	11.4
238.04562	0.7
265.03778	100.0
266.04126	6.9
266.06390	0.2
279.23184	0.8
280.06134	51.3
280.13022	1.1
280.23709	0.5
281.06488	4.6
292.87939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14565	0.1
59.01247	2.3
63.22278	0.1
70.54623	0.3
70.54948	0.2
71.01231	0.5
81.11818	0.1
83.04852	0.2
110.26441	0.2
127.07507	0.4
163.41791	0.2
185.54471	0.2
205.15987	0.2
205.19742	0.1
233.22714	0.3
256.09366	0.2
259.20578	0.6
275.20084	0.4
277.21689	100.0
278.22034	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.4
59.01234	1.2
59.65849	0.4
59.98380	1.0
62.78028	0.3
66.67918	0.4
71.01239	1.0
72.99170	1.0
83.04899	3.6
85.02808	0.5
93.03333	7.6
94.03699	0.4
95.01258	0.5
98.03603	1.0
108.02053	0.8
113.05963	79.2
114.06312	2.9
121.02838	100.0
122.03175	3.7
123.04477	0.4
142.60742	0.3
146.23776	0.3
147.04494	0.5
149.02367	0.6
151.38791	0.3
168.91571	0.3
221.56671	0.4
229.85143	0.5
274.96863	0.4
279.08749	4.6
279.12247	1.3
279.23334	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1235
Annotation	(-)-Coriolin
Peak:m/z	Relative Intensity
57.03324	5.5
59.01238	3.8
59.86757	0.9
63.02271	1.2
69.19826	7.7
69.20230	1.8
71.01241	2.5
72.80071	0.8
81.03326	20.8
83.01253	15.1
83.04908	2.0
99.00760	2.5
107.01257	1.5
107.04930	1.0
109.02835	1.2
109.06432	1.7
110.00020	1.0
111.00750	3.5
111.04404	1.6
124.01581	4.5
125.02340	13.3
137.09608	2.2
138.06747	1.4
147.08107	1.2
153.09105	2.3
157.08627	1.0
175.07549	2.8
175.11177	3.7
200.34608	0.9
209.18716	0.8
217.12195	4.7
219.10286	1.3
245.08188	3.9
261.11258	9.5
279.12344	100.0
279.23181	4.1
280.12698	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	277.108
Annotation	Eleganolactone B
Peak:m/z	Relative Intensity
59.01250	2.1
65.91657	0.3
66.28329	0.3
68.63568	0.4
69.03337	0.4
70.43838	1.4
92.02589	0.6
93.03327	6.5
95.01273	3.2
108.02059	2.9
119.04900	1.9
121.02837	100.0
122.03172	3.4
135.04399	5.1
136.01540	1.2
147.04407	1.7
165.05475	12.6
165.82729	0.4
166.05736	0.6
173.09613	0.5
180.44472	0.4
233.11786	1.3
235.09705	1.2
277.21716	1.4
283.98431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01296	0.4
59.01239	1.2
70.54179	1.1
71.01250	1.1
77.03848	0.3
85.27087	0.2
86.21416	0.3
93.03325	0.5
98.19839	0.4
101.02312	0.5
113.36530	0.3
115.03902	0.3
117.84512	0.3
121.02846	1.2
134.06007	100.0
135.06357	3.7
146.08159	0.7
152.36264	0.3
161.70450	0.3
205.15959	0.4
277.09311	1.5
277.13452	24.9
277.21689	6.3
277.24518	0.6
278.13794	2.7
278.21960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97570	0.3
51.06115	0.3
55.68689	0.2
59.01244	2.9
71.01247	0.6
71.01624	0.2
101.19027	0.3
117.37450	0.2
127.07545	0.3
134.09358	0.3
148.24881	0.3
172.89969	0.3
197.85204	0.3
233.22716	0.7
259.20633	0.4
275.20233	0.5
277.21686	100.0
278.22034	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	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01236	0.6
69.44176	3.1
163.15678	0.4
182.86829	0.4
198.10654	0.4
199.23441	0.3
226.70511	0.4
233.22685	0.4
277.21701	100.0
278.22037	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	277.0928
Annotation	1-Tuliposide A
Peak:m/z	Relative Intensity
52.50569	2.0
52.81675	1.6
55.01747	4.5
57.03316	7.8
57.46464	1.8
58.00455	2.2
59.01249	40.2
69.03307	2.3
71.01252	100.0
71.04890	4.7
71.51031	3.5
72.99169	4.0
73.02813	34.1
75.00747	2.5
83.01252	16.7
85.02824	52.9
87.00750	1.8
89.02316	10.5
93.14025	1.8
95.01264	9.0
97.02865	3.3
99.00748	14.8
101.02319	60.7
113.02324	46.2
115.03894	50.7
119.03358	4.9
125.02288	2.4
128.03500	2.2
143.03365	4.4
159.02824	9.0
161.04457	28.6
182.20813	1.9
233.10329	8.6
255.56999	2.2
268.92752	1.9
277.09283	17.5
277.21661	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40291	0.6
62.23162	0.5
64.31242	0.5
66.44751	0.5
73.42240	0.5
93.03342	0.7
106.04117	19.8
107.04897	2.1
109.26208	0.5
119.04890	1.1
121.02838	2.0
138.03128	4.1
159.08064	1.0
173.70360	0.5
175.03909	0.8
175.11191	19.7
176.11502	1.6
187.11220	12.2
205.12271	49.2
206.12653	2.7
213.08865	0.5
220.10983	8.9
251.30772	0.5
258.11331	2.9
276.12390	100.0
277.12747	7.8
277.21677	1.6
294.39764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25651	0.7
71.32819	1.3
106.03445	0.9
106.04099	5.3
111.94698	0.7
119.04917	1.3
121.02836	3.3
131.03773	0.7
138.03082	1.4
159.08032	1.5
175.11191	2.9
176.67915	0.7
187.11299	1.4
205.12256	7.9
220.10991	24.8
221.11325	1.0
231.10239	1.5
258.11334	31.0
259.11691	2.5
276.12384	100.0
277.12686	7.0
277.21399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2014
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
59.01250	7.2
64.45026	0.7
70.54485	0.9
71.01247	1.3
83.04907	0.8
88.64615	0.9
103.54861	0.8
177.16379	1.8
231.21080	8.3
251.52293	0.8
257.19037	0.8
275.20126	100.0
276.20499	10.5
285.57590	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51393	0.3
55.54404	0.2
58.05482	0.3
68.99721	0.3
69.27135	1.2
69.27566	1.4
71.01234	0.3
82.00484	0.5
92.02560	1.0
95.01263	6.3
98.19785	0.6
106.21391	0.3
108.02048	100.0
109.02349	3.0
118.02866	4.3
119.03172	0.3
120.02055	1.0
123.00731	0.7
136.01546	5.1
146.02391	2.6
157.44891	0.3
163.02652	35.9
164.02997	2.0
178.05017	6.5
249.07626	0.6
276.08734	3.0
277.21603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14750	0.3
69.71091	1.5
69.71497	0.7
78.65840	0.3
93.03332	0.6
106.04120	4.9
119.04939	1.1
119.14303	0.3
121.02837	3.4
138.03105	0.9
143.04927	0.3
146.07182	0.4
159.08023	1.7
175.11218	2.3
186.01978	0.3
186.82585	0.3
187.11238	1.1
203.10684	0.3
205.12288	8.7
206.12663	0.4
220.10991	23.1
221.11336	1.1
231.10213	1.0
258.11325	27.5
259.11661	1.8
276.12381	100.0
277.12729	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	276.1239
Annotation	Convolidine
Peak:m/z	Relative Intensity
52.45400	0.4
53.20953	0.5
54.55612	0.4
56.83039	0.5
70.16572	0.9
70.16959	0.9
98.20499	0.5
106.04116	6.6
107.04916	0.6
113.46861	0.5
116.37538	0.4
119.04895	1.4
121.02832	3.4
138.03111	1.3
142.82869	0.5
146.07239	0.7
146.08252	0.6
159.08069	1.2
167.57526	0.5
173.09595	0.5
173.72687	0.5
175.11209	3.8
187.11176	3.8
196.36911	0.5
205.12285	14.2
206.12494	0.7
220.11012	20.8
221.11395	1.1
258.11340	24.0
259.11670	2.2
276.12390	100.0
277.12692	7.0
277.21701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26535	1.4
59.01239	6.9
63.62748	1.8
71.01238	1.6
71.52576	2.3
74.53668	2.2
74.87498	1.4
81.99949	1.6
121.58820	1.5
177.16338	1.8
231.21112	8.4
260.06842	2.0
275.20129	100.0
276.20483	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	274.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96766	1.1
67.50011	1.3
71.53108	1.6
101.63585	1.1
105.02098	1.4
107.03662	2.2
114.48788	1.3
118.63030	1.1
131.03658	4.8
133.01590	2.7
142.02814	1.2
144.04456	6.1
145.02884	1.6
146.02391	3.7
148.03937	1.6
156.04466	4.3
157.05223	4.4
158.02409	1.5
158.06064	1.3
159.03175	29.3
159.06848	2.3
160.03624	1.2
161.04729	4.0
162.01935	1.8
168.04517	1.3
170.06010	4.2
172.03937	25.9
172.05214	1.6
172.50932	1.2
174.04135	1.7
174.05515	20.5
185.04765	8.5
186.01878	51.6
186.05476	13.0
187.02261	3.0
187.06299	49.0
187.07985	1.7
188.03377	10.4
188.04797	2.6
188.06651	3.2
189.04227	2.9
197.04713	4.7
198.05539	2.1
199.02753	1.8
200.03459	24.1
200.07094	27.7
201.04161	11.2
201.07240	1.9
202.08672	13.0
203.05618	1.3
204.02983	1.7
204.06581	2.5
207.45135	1.3
212.07074	1.7
213.04251	12.3
214.05025	47.4
215.05803	69.5
216.06123	4.0
216.33749	1.2
228.06578	7.9
230.08163	91.7
231.08508	2.8
244.06172	1.9
248.09233	8.2
274.07175	100.0
275.07361	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	273.1495
Annotation	Podocarpic acid
Peak:m/z	Relative Intensity
54.62449	0.2
70.06281	1.1
93.03340	0.4
98.20588	0.3
104.30237	0.2
106.04120	32.2
107.04919	17.6
108.02059	0.7
108.05246	0.6
119.04916	3.7
121.02832	0.6
138.03113	6.9
143.04961	0.4
145.06473	1.4
146.07249	0.5
147.08061	1.3
150.03117	4.0
159.08032	2.6
161.09641	2.0
181.74089	0.3
182.02109	3.0
184.78525	0.3
204.07782	0.3
213.99173	0.3
229.15927	34.8
230.16309	2.6
273.14941	100.0
274.15280	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	273.1494
Annotation	8-Methoxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-6-ol
Peak:m/z	Relative Intensity
58.33018	0.2
93.03347	0.4
106.04118	25.5
107.04910	17.8
108.02072	0.6
108.05288	0.4
116.05146	0.3
119.04891	3.2
120.05265	0.4
121.02831	0.7
138.03119	6.8
145.06494	1.4
146.07222	0.5
147.08084	1.3
150.03113	4.6
159.08063	2.5
161.09663	0.5
167.24048	0.3
182.02113	4.2
229.15919	39.7
230.16261	3.1
236.06555	0.3
247.49846	0.3
273.14932	100.0
274.15295	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	274.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87098	0.6
53.18308	0.5
59.01242	3.7
62.70835	0.6
69.67231	4.0
71.01248	1.0
72.01648	0.6
83.39263	0.7
85.02818	1.8
94.09401	0.6
98.20516	1.0
101.04159	1.0
105.02068	1.3
115.23824	0.6
116.46578	0.6
118.02854	0.7
123.03114	1.2
123.08047	0.8
131.03645	3.7
133.01566	2.4
142.06520	1.0
144.04468	4.6
145.05249	0.6
146.02397	2.7
146.06059	0.9
147.03142	1.1
148.03903	2.2
149.01085	0.7
156.04430	3.0
157.05226	2.8
158.02351	0.8
158.06027	1.5
159.03166	24.9
159.06770	1.9
160.03534	1.1
161.04735	1.4
162.01843	0.7
162.05190	0.6
168.04391	0.8
169.05228	0.8
170.06020	1.8
172.03937	17.5
173.04567	1.3
174.05513	15.2
175.05798	0.7
184.03944	1.6
185.04720	6.2
186.01891	38.0
186.05489	10.1
187.02216	2.1
187.06297	41.2
188.03419	8.7
188.04790	1.2
188.06686	2.5
189.04117	1.2
190.05040	1.0
197.04749	5.7
198.05493	2.8
199.02704	1.3
200.01611	0.8
200.03470	21.1
200.07097	22.7
200.08984	1.3
201.04222	8.9
201.07373	1.2
202.04881	1.2
202.08647	8.7
202.62878	0.8
203.05766	2.2
204.02942	1.4
212.03641	0.9
212.07059	1.8
213.04260	10.1
214.05034	42.3
215.05812	54.2
216.06114	3.2
216.10312	1.7
218.08252	1.9
228.06601	6.1
230.08171	69.5
230.11876	1.8
231.08507	5.6
232.06123	2.8
233.13895	1.7
241.03690	1.0
244.06134	1.6
248.09236	9.6
249.09424	0.7
256.06168	1.9
274.07202	100.0
274.14471	2.7
275.07492	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	272.0563
Annotation	5-Methoxymaculine
Peak:m/z	Relative Intensity
63.48561	0.3
69.41048	1.5
69.41470	1.3
123.07987	0.4
123.35917	0.3
146.02875	0.3
200.03413	0.4
201.04225	1.3
212.03493	0.8
213.04225	3.0
228.02969	3.3
229.03729	9.4
230.04034	0.7
256.02451	2.2
257.03256	98.5
258.03607	6.3
272.05615	100.0
273.05939	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	273.1494
Annotation	Podocarpic acid
Peak:m/z	Relative Intensity
50.40495	0.3
52.68315	0.4
52.85184	0.4
53.40027	0.4
61.74604	0.4
64.59771	0.3
67.64837	0.4
69.27984	3.4
88.53513	0.4
88.94796	0.3
93.03323	0.4
106.04121	26.4
107.04915	16.7
108.02023	0.6
108.05202	0.4
119.04914	3.3
121.02837	1.1
138.03127	6.6
141.87509	0.4
145.06476	0.9
146.07251	0.5
147.08076	1.1
150.03104	4.5
159.08037	2.1
169.33067	0.4
182.02113	4.1
229.15929	36.9
230.16183	2.4
273.14941	100.0
274.15298	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53688	0.6
61.80039	0.5
62.73087	0.5
63.02265	12.8
65.00194	19.8
69.36108	4.4
69.36519	1.2
83.01259	11.9
83.04906	0.6
93.03334	15.0
94.03735	0.6
107.01270	29.0
108.02135	0.9
109.02838	0.8
111.07490	0.5
119.04916	79.8
120.05257	3.3
121.02885	1.0
125.02335	2.8
137.02267	0.8
143.04913	1.2
145.02849	1.4
151.00272	74.8
152.00597	2.0
158.50388	0.6
161.05956	1.5
165.01860	2.9
168.34888	0.6
169.01363	4.3
177.01852	10.6
185.06033	1.4
187.03908	2.6
196.00146	0.6
227.07053	1.1
256.02286	1.0
257.03345	0.9
271.06125	100.0
271.22928	1.4
272.06470	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2277
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
72.19257	0.6
79.30140	0.5
108.01941	0.6
109.02805	1.0
114.68483	0.6
119.04914	1.0
125.02366	2.7
161.97505	0.6
197.18977	0.7
221.19029	1.0
223.20595	5.0
224.21017	0.5
225.22174	61.1
226.22475	4.9
229.18585	0.6
253.21661	1.1
256.07410	0.8
269.21304	0.7
271.06042	1.8
271.22772	100.0
272.23154	8.7
293.72217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46739	0.2
65.00214	0.6
71.01305	0.2
71.01672	0.5
83.04934	0.2
89.35469	0.2
93.03373	0.7
106.04139	0.8
107.01275	0.3
108.02110	0.3
109.02843	0.3
119.04947	0.7
125.02373	0.7
128.04944	0.3
132.04472	1.0
140.04913	0.3
144.04465	0.4
146.02443	0.3
150.01904	0.4
151.00276	0.5
156.04445	20.3
157.04802	1.0
158.02383	2.7
159.08092	0.6
160.03957	1.0
168.04477	0.2
169.34380	0.2
171.04396	1.1
172.03897	0.6
182.03583	0.2
183.04437	0.3
184.03951	12.0
185.04225	0.4
186.05492	0.3
196.03983	0.6
197.04831	0.4
198.03160	0.9
198.05516	0.5
199.04019	1.2
200.03435	7.4
201.03828	0.4
211.03944	0.2
212.03404	2.2
214.04964	0.3
224.03474	0.5
225.04221	0.7
226.02640	0.7
226.05032	0.9
227.03511	3.6
227.14325	1.1
228.02948	27.3
229.03294	1.8
242.04544	4.2
243.04903	0.9
253.03787	0.5
254.01990	0.7
254.04507	3.0
255.02945	11.8
256.02475	100.0
257.02884	8.3
268.02469	0.3
270.01059	0.4
270.04050	11.7
271.04825	96.9
271.12979	3.8
271.22922	0.7
272.02081	0.6
272.05194	8.6
272.68143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1135
Annotation	(S)-Norcoclaurine
Peak:m/z	Relative Intensity
58.84217	0.5
59.48695	0.6
71.52244	0.7
82.77477	0.6
91.01777	2.3
93.03332	18.0
106.04136	1.8
108.02061	1.2
109.02838	1.2
118.02877	26.1
119.03203	1.0
119.04985	0.9
125.02341	2.2
131.54779	0.8
136.03935	78.9
137.04276	2.6
140.26141	0.7
148.03949	0.8
151.00241	0.9
181.03711	6.4
199.02702	2.7
212.03471	2.2
213.03775	0.6
215.11815	0.6
227.02147	5.3
228.02711	1.2
240.02963	10.0
242.04562	1.1
255.01662	9.9
255.05318	9.7
256.02298	2.6
256.05417	1.2
270.04465	13.2
270.07813	12.4
270.11313	100.0
270.21448	2.4
271.04691	2.0
271.08536	0.9
271.11713	6.8
271.16904	1.5
271.22708	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	270.077
Annotation	Xanthoxoline
Peak:m/z	Relative Intensity
69.17432	1.0
69.17863	1.0
77.52376	0.2
98.08392	0.2
99.59929	0.2
156.30562	0.2
159.41640	0.2
168.04428	2.5
168.74301	0.2
211.03818	0.4
212.03464	18.5
213.03746	1.0
226.05055	1.2
227.02251	0.2
239.03412	2.6
240.02979	81.9
241.03297	5.2
254.04561	6.0
254.48457	0.2
255.05334	99.2
256.02844	0.3
256.05667	6.4
270.07687	100.0
271.08047	7.4
293.98804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0771
Annotation	Xanthoxoline
Peak:m/z	Relative Intensity
53.88364	0.2
59.92565	0.2
60.38662	0.3
69.19359	1.4
69.19795	1.3
70.93964	0.2
88.24913	0.2
95.35696	0.3
95.75157	0.2
96.35511	0.2
98.19819	0.5
115.88193	0.3
118.32140	0.3
119.04923	0.5
125.02367	0.5
151.00266	0.6
184.03915	2.0
187.23816	0.3
198.05452	0.3
199.02708	0.6
212.03458	53.4
213.03851	3.1
225.04247	0.4
226.05003	1.1
227.02200	1.7
227.05742	1.8
228.02907	0.5
240.02972	52.9
241.03355	3.2
242.04517	0.8
244.42128	0.3
254.04527	3.7
255.05328	100.0
256.02722	0.3
256.05652	6.9
268.53848	0.3
269.21133	0.6
270.04376	4.0
270.07678	85.1
270.21497	0.7
271.05530	0.3
271.08124	6.0
271.13342	1.1
288.69434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	9.7
56.57728	0.6
57.03312	8.0
58.00463	2.4
59.01247	53.5
61.32583	0.8
63.36655	0.6
69.03336	1.0
71.01250	100.0
71.60269	0.6
72.01593	1.3
72.99172	6.5
73.02814	37.3
75.00742	1.8
81.03368	0.8
83.01253	19.6
83.04891	1.7
84.02061	0.7
85.02820	60.5
85.99976	1.2
86.03161	0.9
87.00735	4.3
87.04434	0.7
89.02299	4.3
93.03404	0.8
95.01262	7.4
97.02837	2.6
97.06477	1.4
99.00746	15.2
100.88425	0.8
101.02317	76.8
102.02666	1.3
107.04896	1.5
109.02831	1.1
111.00762	1.7
113.02324	42.8
114.02573	0.8
114.05476	1.1
121.02808	1.0
125.02337	3.0
129.01823	1.6
135.04401	1.1
136.88588	0.6
139.00301	1.1
143.03401	3.1
153.01897	1.5
154.12405	1.2
159.02898	8.6
161.04449	26.0
162.04877	1.2
163.07600	0.6
163.82338	0.7
181.12286	2.7
182.11848	0.9
205.03487	0.8
209.11809	3.8
210.11247	5.1
227.12820	11.6
228.12328	3.7
229.68211	0.8
250.34610	0.8
269.04645	3.5
269.07709	1.2
269.10330	6.8
269.13794	1.4
269.21249	9.8
269.24594	1.5
270.04657	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2171
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
52.07098	0.5
53.15446	0.5
59.01245	1.9
59.05767	0.5
66.42952	0.5
69.52905	3.7
69.93685	0.4
77.10159	0.4
89.02328	0.7
96.38594	0.5
96.95280	1.0
96.95877	12.5
98.20536	0.9
101.02326	0.9
132.16670	0.5
137.49263	0.4
149.60718	0.4
265.09183	2.4
265.14871	10.3
265.21707	100.0
266.15082	0.8
266.22058	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	269.0455
Annotation	Apigenin
Peak:m/z	Relative Intensity
63.02261	1.4
64.00896	0.1
65.00188	3.4
70.86232	0.4
81.03275	0.2
83.01256	1.5
93.03353	0.3
94.49785	0.1
97.49081	0.1
102.18884	0.1
105.03343	0.9
107.01263	6.0
117.03339	21.9
118.03683	0.7
121.02827	1.4
139.03867	0.2
143.70988	0.1
149.02341	8.8
150.02669	0.4
151.00266	9.6
152.00623	0.3
155.04839	0.2
157.06461	0.3
159.04424	1.7
160.04778	0.2
161.02318	0.2
166.59639	0.1
169.01317	0.2
169.06512	0.4
171.04501	0.2
180.05742	0.6
181.06497	1.4
182.03624	0.2
183.04443	1.4
185.02307	0.3
196.05183	0.3
196.48422	0.1
197.05928	0.6
201.05502	1.8
213.05569	0.2
219.45702	0.1
224.04736	0.5
224.60498	0.2
225.05504	4.5
225.14943	0.3
226.02553	0.2
226.05714	0.2
227.03554	1.7
241.05045	0.3
255.01649	0.3
269.04526	100.0
269.21072	0.8
270.04865	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	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69366	0.3
57.03309	1.6
58.00465	0.8
59.01247	25.0
59.22477	0.4
69.25186	0.4
69.91418	1.0
69.91839	1.1
71.01247	12.5
72.99180	0.7
75.10896	0.3
83.01234	0.6
85.02820	12.7
87.00755	1.0
89.02312	12.3
93.74061	0.5
95.01251	1.4
101.02319	7.9
101.78078	0.4
103.03884	22.2
113.02326	6.0
119.03366	4.8
135.04735	1.5
143.03307	0.4
145.04927	0.7
161.04433	0.9
179.05600	1.2
191.02397	0.4
223.06447	0.6
265.09262	100.0
266.09589	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	265.1806
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
57.03308	1.3
57.79123	0.9
57.93581	0.8
59.01244	11.8
59.68969	0.7
69.03307	1.7
69.32259	1.8
69.32674	6.1
69.90578	0.7
71.01242	3.8
75.52113	0.9
78.95773	1.7
82.77621	0.7
83.04906	1.6
85.02804	2.6
89.02290	1.4
96.95879	2.3
97.06457	1.0
98.20151	3.3
101.02309	3.1
103.03902	2.2
106.04112	0.9
111.08064	0.9
113.02316	1.6
121.02800	0.7
121.10175	1.0
126.42022	0.8
132.87730	0.8
135.04449	1.2
149.09602	2.8
151.11160	2.5
163.07542	1.1
167.10683	44.8
167.88911	1.0
168.11040	1.8
177.09102	1.6
177.12650	0.9
195.10204	10.7
203.17928	3.3
228.09930	2.2
247.13365	1.7
247.16995	14.2
248.17210	1.1
265.09113	6.5
265.18054	100.0
266.18405	6.8
267.82837	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.1
57.03319	4.4
57.04122	1.1
58.00457	3.0
59.01249	78.9
71.01251	37.6
71.27875	1.5
72.33765	1.2
72.99175	2.3
83.01270	2.3
85.02821	38.9
87.00733	1.6
89.02314	35.6
95.01280	2.2
99.24211	1.3
101.02322	23.6
103.03886	52.4
113.02325	14.9
119.03391	10.2
143.03313	1.0
145.04984	1.3
153.62692	1.2
169.26433	1.2
238.76970	1.2
265.09271	100.0
266.09564	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	264.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50349	0.3
54.30680	0.4
54.41248	0.4
59.01236	2.1
60.67138	0.4
69.58068	1.1
69.58501	2.0
70.77907	0.4
78.60139	0.4
84.04408	0.8
85.02797	1.2
91.05390	1.8
94.39702	0.4
97.88562	0.4
101.02306	0.7
102.05479	68.7
103.05805	1.1
128.03423	57.5
129.03751	1.6
130.52765	0.4
135.04425	3.1
142.39375	0.5
146.04488	100.0
147.04843	2.0
163.03934	1.0
163.07518	1.0
176.54033	0.5
204.06534	1.2
206.05698	0.7
207.02817	0.6
220.09767	0.8
220.68123	0.4
221.08145	0.8
222.07640	0.9
246.07669	1.3
264.08728	14.9
265.09006	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	264.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.9
71.01255	1.7
85.02811	1.7
91.05405	1.3
98.15942	0.8
100.52291	0.9
102.05483	57.1
103.03872	1.0
103.05819	1.7
109.38258	0.7
111.40988	0.8
121.15829	0.8
128.03419	50.8
135.04433	4.6
146.04486	100.0
147.04831	2.5
161.58357	0.9
189.06400	0.8
201.88647	0.8
206.05983	1.0
220.09772	1.2
221.08049	1.3
229.79924	1.0
246.07585	1.8
264.08694	18.5
265.09131	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	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
57.03316	2.7
58.00458	1.8
59.01246	35.7
60.01566	0.4
71.01249	21.3
72.99181	2.3
73.02808	0.9
83.01244	1.2
85.02816	22.3
87.00759	1.1
89.02312	20.9
95.01250	1.9
99.00727	0.6
99.04369	0.4
101.02312	13.7
102.02708	0.4
103.03884	34.1
104.04232	0.6
106.91302	0.3
112.04023	0.3
113.02322	7.6
117.05398	0.3
119.03386	7.5
119.04739	0.3
121.02827	0.6
123.00786	0.3
131.03470	0.4
131.90388	0.3
143.03401	0.7
145.02908	0.4
145.04935	1.3
149.04431	0.4
161.04411	0.5
170.89034	0.3
179.05530	1.2
205.05103	0.3
216.00046	0.3
250.04845	0.4
265.09256	100.0
266.09576	5.8
281.10242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2014
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
52.14019	0.3
59.01239	1.0
61.62666	0.3
65.87749	0.3
66.87273	0.3
69.22090	2.9
71.01254	0.5
77.05904	0.3
175.03967	1.5
219.21107	0.8
236.14479	0.3
239.43750	0.3
245.18974	0.5
261.18420	0.6
263.09241	1.1
263.20129	100.0
264.20471	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	263.2377
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
59.01240	3.0
62.34905	0.7
67.90357	0.9
69.03310	1.5
71.01238	1.1
71.52161	0.8
71.52535	1.1
77.47606	0.8
78.07980	0.8
83.04881	3.9
85.02800	0.9
95.04918	4.4
97.06445	4.1
101.02275	0.8
109.06473	3.6
123.09302	0.8
141.12743	5.1
147.04495	1.1
149.97025	0.8
155.14320	40.6
156.14691	2.1
167.14384	1.0
169.15884	16.3
175.03905	5.9
183.17435	1.6
207.61598	0.8
209.19011	1.0
235.91052	0.8
245.08057	1.1
245.22766	1.1
261.22247	5.6
263.09464	4.0
263.23785	100.0
264.21332	1.2
264.24078	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	263.1287
Annotation	Mansonone Q
Peak:m/z	Relative Intensity
54.84826	0.3
57.03322	2.3
58.32920	0.3
59.01241	3.2
69.03312	0.6
71.01254	0.5
80.02547	1.1
81.03333	1.0
83.04893	12.4
85.02827	1.4
88.09308	0.3
93.03316	0.4
95.04909	0.6
96.95885	0.3
97.06467	9.7
98.06782	0.3
106.52089	0.3
109.06456	0.8
111.00773	0.8
117.97045	0.4
119.04902	0.5
121.06473	1.3
123.00809	0.3
123.08043	1.1
124.01558	2.6
131.04887	0.4
135.08069	0.7
137.02257	0.4
137.05974	0.9
137.09618	5.0
147.04416	2.9
149.09618	1.1
151.07545	0.5
151.11143	0.4
157.06248	0.3
161.09630	1.7
163.07588	0.4
163.11285	0.5
165.05403	0.6
165.12766	2.9
174.02977	0.4
175.03914	21.9
175.11212	0.5
176.04268	0.7
177.12759	2.8
181.37794	0.3
186.10379	0.4
187.03937	1.1
195.13861	0.6
201.12825	1.4
203.10777	0.8
204.11462	0.6
219.10255	0.5
219.13806	1.0
220.13351	0.5
221.11818	1.3
227.07080	2.0
229.61513	0.4
235.13353	0.7
245.08130	3.0
245.11839	0.9
263.09293	18.1
263.12866	100.0
264.09631	0.8
264.13217	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	263.1286
Annotation	Mansonone Q
Peak:m/z	Relative Intensity
56.99771	0.3
57.30248	0.3
59.01244	3.3
59.62457	0.4
68.99673	0.4
69.18526	2.8
69.18946	1.1
71.69310	0.4
83.12022	0.4
85.02790	0.7
105.03360	0.6
115.52366	0.4
117.24049	0.3
119.04951	0.4
121.01954	0.7
121.02840	12.0
147.04385	0.5
149.02341	35.3
150.02650	1.9
159.08073	0.4
160.46388	0.3
164.04695	19.1
165.05125	0.8
175.03918	2.6
177.05408	0.5
196.03691	25.3
197.04042	1.1
203.07043	1.0
204.07677	0.6
207.10173	0.4
233.11713	2.5
245.11693	1.5
263.12860	100.0
264.13208	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.4
58.02851	15.3
59.01249	15.8
64.19238	1.3
70.02845	1.8
70.51337	1.5
71.01274	2.0
71.52033	1.5
72.40461	1.4
74.02333	11.2
83.37288	1.3
84.04407	4.7
85.02839	3.5
86.02346	1.5
91.05376	2.3
98.02328	3.0
101.02334	2.2
102.05483	68.8
107.04892	3.0
116.03436	1.9
116.04937	5.2
118.06542	7.2
119.04904	7.3
127.89163	1.4
128.03419	59.6
130.06520	11.5
131.34814	1.4
133.06458	5.4
134.05965	1.7
135.04404	4.0
136.07542	4.7
142.06506	9.6
146.04485	100.0
150.09119	2.7
160.07571	15.1
174.09125	5.0
175.03867	2.6
178.08649	4.7
186.05528	4.5
192.10197	6.0
201.10239	3.2
203.08173	6.2
204.06593	3.5
219.10172	4.6
221.77164	1.5
222.07683	2.3
236.09204	5.2
245.09232	7.3
255.57388	1.3
258.00400	1.4
263.10416	21.6
263.13058	2.9
264.08649	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	263.1187
Annotation	dmbi
Peak:m/z	Relative Intensity
54.58207	0.3
59.01244	0.9
62.75563	0.3
69.69799	1.8
105.24364	0.2
116.04961	1.1
120.04436	100.0
121.04092	0.3
121.04782	3.4
130.06523	1.0
175.03900	1.2
263.11877	78.0
264.12204	7.1
270.57114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28297	0.2
52.90243	0.2
55.58615	0.2
59.01242	1.5
63.63879	0.2
63.79789	0.2
69.45114	0.3
69.45523	1.7
71.01237	0.2
84.51716	0.3
91.05406	1.2
92.04932	1.0
95.72695	0.2
101.02325	0.3
103.05418	0.4
110.71825	0.2
116.04939	0.5
119.04977	0.4
130.04115	0.5
131.04912	2.6
134.06024	0.5
136.03952	0.5
137.05971	3.3
147.04411	9.8
174.03018	0.5
175.03914	100.0
176.04294	5.2
183.08054	0.4
187.03888	2.6
201.09119	0.4
206.02144	0.3
227.07080	6.0
228.07350	0.3
245.08144	13.5
246.08469	0.7
261.07584	0.6
263.09219	66.1
264.09518	5.1
267.82623	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55297	0.7
58.99472	3.8
59.01247	19.8
65.25658	0.6
71.01250	0.8
77.53613	0.6
87.00744	4.6
87.02605	2.8
87.68279	0.6
119.04916	0.8
131.05273	1.3
133.06824	100.0
134.07106	2.0
175.03926	1.8
203.07391	6.2
219.10210	1.0
221.08482	16.6
255.06940	0.8
263.09406	5.5
263.12860	2.5
281.36218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.3
57.03308	4.6
57.49638	2.4
58.02843	11.4
59.01247	100.0
68.79751	3.2
69.32571	11.3
69.32999	14.0
70.48624	2.4
71.01247	27.6
73.02813	13.0
73.47694	2.9
74.02333	5.4
81.09332	2.6
84.04410	5.7
85.02816	16.3
87.00730	9.0
90.32992	2.4
98.02345	2.9
98.20498	6.0
99.00739	3.2
101.02322	18.9
113.02321	10.0
113.12936	2.6
115.02866	2.3
118.06518	5.4
119.04893	4.4
130.06480	7.8
131.03403	6.0
142.06503	5.2
142.96288	2.7
160.07576	14.6
161.04446	12.0
173.20345	2.5
174.08894	2.8
175.03908	9.7
178.08688	3.7
186.05524	3.1
192.10368	3.0
203.08240	3.1
221.06534	11.7
236.09282	4.7
245.09206	5.1
263.10452	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	263.0923
Annotation	1'-Acetoxyeugenol acetate
Peak:m/z	Relative Intensity
59.01250	0.3
71.39783	0.3
71.40124	0.3
85.27066	0.2
91.05412	1.1
92.04924	0.3
98.15289	0.2
103.05410	0.7
103.75477	0.2
109.29279	0.2
119.04913	0.3
130.04137	0.5
131.04919	3.5
133.06776	0.2
137.05980	4.0
147.04413	12.2
148.04738	0.7
159.04337	0.3
174.03107	0.8
175.03917	100.0
176.04257	4.8
182.45306	0.2
183.08083	0.4
187.03922	3.5
199.07465	0.4
206.01979	0.2
227.07076	6.1
228.07451	0.5
245.08157	11.4
246.08543	1.0
247.25159	0.3
261.07669	0.4
263.09225	66.5
264.09561	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	262.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21111	7.6
57.49932	7.4
60.15568	7.3
70.02842	12.0
71.37413	7.2
71.51895	11.5
76.08511	7.9
85.02808	74.3
87.04400	8.9
96.04427	100.0
98.15009	9.5
100.44626	7.7
102.06284	7.2
111.04392	7.2
115.03770	7.8
128.89090	25.0
129.01805	16.4
142.01346	77.6
144.86909	28.2
158.04460	16.6
172.02368	11.6
174.23048	8.6
262.05704	30.6
262.83939	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	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17529	1.2
57.03302	2.5
59.01248	100.0
60.01588	1.8
69.66277	8.3
71.01255	2.9
73.02805	1.9
79.43159	1.3
83.01225	1.7
83.04869	8.1
85.02812	2.9
87.41074	1.3
97.06452	6.8
113.02338	2.9
124.01563	1.6
133.06807	2.3
137.09619	3.8
139.40858	1.4
147.04427	2.9
164.07040	4.4
165.12718	2.1
169.30806	1.5
175.03912	19.5
176.04288	1.6
177.12895	1.4
184.78256	1.2
222.70703	1.4
245.08090	2.7
263.09332	10.2
263.12848	87.1
264.09192	1.7
264.13123	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99479	3.2
59.00950	1.9
59.01246	29.0
64.55490	0.7
69.34901	2.5
69.35313	5.9
87.00754	4.2
87.02608	2.3
93.67223	1.0
98.20559	2.3
131.05254	1.2
133.06821	100.0
134.07127	3.1
154.45233	0.9
165.05501	1.0
203.07318	5.6
221.08482	16.6
222.31621	1.0
263.09424	4.2
263.12796	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	1.1
59.01250	6.0
65.14226	0.6
70.02851	8.3
70.82882	1.6
72.04411	4.0
74.02341	100.0
75.02682	1.2
84.04416	1.0
98.02353	25.4
116.03412	42.2
122.63085	0.6
128.03413	4.0
129.38440	0.6
131.05251	1.3
132.04440	31.8
133.04788	0.8
144.04451	7.0
158.06021	0.9
173.07123	0.9
175.08705	1.5
201.06615	9.3
216.63161	0.7
219.07701	2.6
219.12253	1.3
261.08817	16.3
262.09177	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	260.0688
Annotation	NS-102
Peak:m/z	Relative Intensity
53.26828	1.4
55.29559	1.2
56.70842	1.3
62.39856	1.2
71.52689	2.1
77.08369	1.3
86.82858	1.2
91.37272	1.3
99.92445	1.5
117.14732	1.6
151.03920	19.5
161.02350	100.0
162.03014	7.3
173.06041	2.5
189.01862	10.2
190.02304	3.8
202.02197	5.3
214.06375	2.1
215.06932	2.1
232.07365	74.7
233.07777	3.8
245.07709	2.3
260.06915	75.2
260.09995	10.5
261.07474	8.8
261.10193	1.7
261.22293	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0072
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
53.24897	1.4
69.63512	4.2
69.63934	4.9
72.99188	13.2
74.34500	1.3
75.00743	2.7
77.88612	1.4
79.95595	6.2
80.96362	1.8
81.03284	1.8
93.03326	20.0
96.04427	1.9
96.95877	3.2
98.20535	2.4
99.46676	1.4
103.48457	1.3
107.04910	1.4
116.63021	1.5
119.04908	42.9
120.05241	2.1
128.03461	1.4
135.04402	28.9
163.03911	33.6
164.04285	2.0
169.01202	1.3
169.76297	1.4
181.04976	81.9
182.05257	5.1
199.00638	22.9
200.00920	2.0
215.00125	9.8
261.00696	100.0
262.01004	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	260.0561
Annotation	Oxolinic acid
Peak:m/z	Relative Intensity
56.58385	0.3
59.01236	0.6
62.61555	0.3
66.01344	0.3
69.17518	3.6
92.86687	0.3
172.03833	0.4
173.03323	0.6
173.04736	9.1
186.01903	1.4
199.02733	0.4
200.03487	0.9
201.04242	100.0
202.04587	4.9
216.06596	50.3
217.06921	3.1
242.04573	1.0
245.03281	3.2
260.05615	32.7
261.06107	2.7
261.08618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03796	1.0
88.89433	0.3
91.01791	0.2
92.65316	0.2
93.03317	0.3
95.01247	0.8
109.02780	0.4
118.04114	0.3
119.01254	0.4
123.00763	2.9
129.06964	1.2
133.06467	1.1
134.03619	0.3
135.04402	0.3
142.51830	0.2
145.06473	0.7
146.03584	0.5
147.00774	3.4
149.05963	0.5
151.03868	0.7
157.06503	2.1
158.03645	0.2
159.04437	0.6
161.02330	0.5
161.05972	1.7
162.03136	0.4
163.07556	1.8
173.02351	0.5
173.05969	3.2
174.06226	0.3
175.00310	0.8
176.08337	2.4
177.05466	0.3
183.04384	0.4
185.05997	2.1
185.48627	0.2
188.08282	1.4
189.01823	1.9
189.05450	0.2
190.02498	0.6
201.01804	1.0
201.05481	7.1
202.05760	0.3
214.02600	0.4
215.07072	0.8
216.07806	0.4
217.01341	0.6
217.04922	0.2
222.01564	0.4
228.04219	0.7
229.04996	31.9
230.05333	2.7
243.06572	0.6
244.07352	100.0
245.07689	8.4
259.09711	62.2
260.06854	0.7
260.10013	5.5
268.61963	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03318	0.3
57.65065	0.3
62.96004	0.3
69.03317	1.9
69.98695	1.6
71.66530	0.3
88.46510	0.3
93.03339	0.3
95.01260	0.5
97.02824	4.3
107.04878	0.5
108.02065	0.5
109.02849	0.8
121.02838	2.3
123.00752	2.4
124.01510	0.8
132.02060	1.0
136.01524	0.6
137.02315	1.4
145.02824	0.4
147.00777	1.7
157.06561	0.3
160.01523	2.7
160.08789	0.8
161.02292	0.8
163.07555	2.6
173.02324	0.5
173.05930	0.7
176.08296	1.5
177.05486	0.4
185.06012	2.2
186.55078	0.3
187.07489	0.4
188.08331	1.7
189.01804	2.2
191.06987	0.5
199.07602	0.7
201.01820	5.0
201.05479	1.9
215.07057	1.3
215.99084	0.3
216.07869	4.0
229.04999	3.6
242.05779	0.4
243.06546	4.5
244.07356	100.0
245.07701	9.7
245.09564	0.2
259.09723	61.2
260.10043	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	259.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73450	0.2
63.61790	0.2
70.09549	0.9
101.69352	0.2
117.03344	1.5
119.04888	0.3
133.02766	0.3
143.83456	0.2
145.02882	1.1
147.04398	0.8
161.02345	1.2
163.03928	0.8
164.19182	0.2
166.40991	0.2
173.02362	1.4
176.01031	1.4
183.56830	0.2
185.06021	0.5
189.01849	49.6
190.02206	3.2
191.03362	0.4
199.07626	0.3
201.01854	100.0
202.02197	6.2
204.04155	0.6
215.03470	0.4
217.71704	0.2
221.58479	0.2
229.05008	3.5
236.03143	0.7
243.06587	3.5
244.07362	3.7
245.07787	0.2
259.09729	84.3
260.10062	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	259.0973
Annotation	Tristin
Peak:m/z	Relative Intensity
69.20744	2.3
69.21169	1.1
84.89137	0.3
98.19817	0.6
104.02547	2.6
118.77119	0.4
124.81629	0.3
133.02826	1.0
145.02806	1.9
148.01563	3.2
149.02002	0.4
157.06413	0.4
159.04341	0.5
161.02339	2.4
171.08031	0.9
172.08844	5.7
173.05942	0.7
176.01009	0.6
181.06500	0.4
183.04510	0.4
183.08127	0.8
185.06044	1.2
187.07623	2.1
188.08330	4.4
189.01849	6.7
190.02467	0.8
198.06790	0.8
199.07578	14.3
200.07994	1.4
201.01848	8.0
201.05478	3.2
203.03395	7.1
215.07072	1.1
216.07849	4.0
225.05482	1.9
226.06050	0.4
227.07069	6.1
229.05008	7.8
230.05383	0.6
243.06586	35.6
244.07356	100.0
245.07681	8.5
259.09723	91.7
260.10062	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	257.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	22.3
59.01258	4.9
62.34439	4.1
70.53441	12.4
71.34278	4.1
73.78450	5.3
83.04906	9.1
85.06434	4.0
98.03607	9.0
101.02339	7.6
137.09605	6.5
139.07556	31.1
139.60670	4.0
141.62389	4.1
153.09132	13.8
155.03943	5.2
155.10680	100.0
155.11867	8.4
176.68947	4.1
195.13812	22.2
199.09734	6.9
213.14897	56.7
257.04535	6.2
257.13940	84.7
257.23941	13.3
258.14221	9.2
271.75131	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	257.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08226	0.9
57.03319	27.3
69.03341	1.0
71.29102	1.6
81.03313	1.2
83.04889	6.4
85.06452	2.8
95.04916	1.7
98.03617	8.1
101.02323	5.9
109.06480	1.8
109.30782	0.9
111.08040	1.2
112.05158	1.0
122.03696	1.1
122.29832	0.9
123.08024	3.5
124.05190	8.1
129.05461	1.2
135.08142	1.2
137.09627	9.8
138.06783	5.4
139.07542	25.9
139.11162	1.5
140.08109	1.1
149.09589	3.6
150.37216	0.9
153.09108	16.3
155.10678	100.0
156.11014	4.1
165.12689	1.4
167.14371	1.1
177.12802	1.8
185.15392	5.0
195.13840	18.7
199.09703	5.9
213.14900	69.4
214.15244	6.2
223.35713	1.0
227.79527	1.1
257.13916	91.7
257.24030	1.3
258.14291	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	256.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	4.7
58.02843	100.0
59.01245	53.9
61.01857	2.7
61.98697	4.0
65.29611	2.4
69.03317	7.6
69.29552	25.6
70.02853	7.7
71.01274	3.6
72.00776	40.7
74.02344	28.3
81.03339	7.3
82.02892	2.8
84.04426	19.9
86.02348	37.2
91.05396	3.0
93.03326	15.4
95.04901	7.6
98.02344	16.2
99.03143	11.1
107.04907	39.7
108.02065	18.8
108.04429	7.3
109.02837	20.3
110.03650	4.6
110.05999	4.6
112.03921	3.2
114.01810	6.9
116.03423	3.5
116.04942	5.6
119.04906	63.7
121.02843	8.8
123.04395	22.6
124.07610	4.3
128.03477	3.2
133.05244	6.1
134.03630	6.2
134.06026	28.2
135.04408	64.5
136.04884	2.8
136.07567	58.9
137.07930	4.2
138.05496	6.6
140.07083	2.7
147.04422	4.6
150.05458	8.2
151.06322	3.3
152.07047	18.4
154.05048	3.2
163.03987	5.3
164.07074	27.3
176.07079	15.6
177.01846	9.4
178.05023	7.4
178.08636	29.9
180.04178	9.9
180.06534	29.5
196.06088	8.3
197.04475	2.8
206.08151	61.8
207.08528	4.2
211.13370	3.9
222.07645	55.3
223.08223	3.0
238.07121	9.0
255.23262	31.1
256.08197	33.9
256.23608	71.1
257.13940	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	256.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	4.7
58.02843	100.0
59.01245	53.9
61.01857	2.7
61.98697	4.0
65.29611	2.4
69.03317	7.6
69.29552	25.6
70.02853	7.7
71.01274	3.6
72.00776	40.7
74.02344	28.3
81.03339	7.3
82.02892	2.8
84.04426	19.9
86.02348	37.2
91.05396	3.0
93.03326	15.4
95.04901	7.6
98.02344	16.2
99.03143	11.1
107.04907	39.7
108.02065	18.8
108.04429	7.3
109.02837	20.3
110.03650	4.6
110.05999	4.6
112.03921	3.2
114.01810	6.9
116.03423	3.5
116.04942	5.6
119.04906	63.7
121.02843	8.8
123.04395	22.6
124.07610	4.3
128.03477	3.2
133.05244	6.1
134.03630	6.2
134.06026	28.2
135.04408	64.5
136.04884	2.8
136.07567	58.9
137.07930	4.2
138.05496	6.6
140.07083	2.7
147.04422	4.6
150.05458	8.2
151.06322	3.3
152.07047	18.4
154.05048	3.2
163.03987	5.3
164.07074	27.3
176.07079	15.6
177.01846	9.4
178.05023	7.4
178.08636	29.9
180.04178	9.9
180.06534	29.5
196.06088	8.3
197.04475	2.8
206.08151	61.8
207.08528	4.2
211.13370	3.9
222.07645	55.3
223.08223	3.0
238.07121	9.0
255.23262	31.1
256.08197	33.9
256.23608	71.1
257.13940	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	256.0613
Annotation	Cyathocaline
Peak:m/z	Relative Intensity
59.99601	0.2
63.40353	0.2
69.59916	1.2
83.74557	0.2
84.83955	0.2
98.20569	0.2
140.34291	0.2
144.34178	0.2
145.29163	0.2
154.09618	0.2
155.85605	0.2
184.03912	0.2
185.04730	0.4
197.04648	0.3
212.03458	4.5
213.04240	16.4
214.04573	0.9
215.07236	0.2
228.03024	0.5
229.03433	0.2
241.03761	100.0
242.04102	7.8
255.23274	1.8
256.06113	82.3
256.23560	4.5
257.06433	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	256.0612
Annotation	Cyathocaline
Peak:m/z	Relative Intensity
55.99501	0.2
59.50093	0.2
62.09566	0.2
62.57901	0.2
62.94928	0.2
69.30270	2.0
70.52991	0.3
82.49535	0.2
83.08186	0.2
98.20587	0.6
103.28115	0.2
127.10278	0.2
137.22856	0.3
168.04495	0.2
169.05273	0.6
184.03911	0.4
185.04739	1.1
196.04071	0.2
197.04733	6.2
198.05161	0.5
201.15436	0.3
212.03523	1.2
213.04236	5.2
214.04601	0.4
240.02939	0.3
241.03766	100.0
242.04088	6.3
255.23312	1.2
256.06122	64.6
256.23605	2.0
257.06430	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	256.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58228	0.3
61.28916	0.3
61.98705	0.5
69.19105	3.1
85.08804	0.2
100.87337	0.3
122.63049	0.3
169.05281	0.8
185.04723	0.8
197.04703	0.3
200.03493	1.0
212.03462	10.9
213.04233	8.9
214.04568	0.8
228.52350	0.3
241.03754	100.0
242.04071	7.5
243.19452	0.3
245.03281	0.4
255.23206	3.8
256.06110	84.9
256.23575	8.9
256.25690	0.3
257.06433	7.3
257.23831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20806	0.9
51.58367	0.9
51.67261	1.0
55.01735	1.0
57.03318	18.1
57.27373	0.9
58.25962	0.9
59.01245	5.6
69.03304	3.3
70.63714	3.2
71.01247	17.0
71.04877	2.6
73.02815	36.1
79.09210	1.0
81.03342	1.4
83.04893	10.3
85.02821	85.8
85.06454	36.7
86.03160	1.7
95.04898	11.4
97.02815	3.0
97.06433	1.6
98.03619	5.0
99.04382	16.1
99.08026	27.9
100.08352	1.4
101.02337	1.3
104.76452	1.1
109.06495	6.8
111.04401	9.5
111.08014	1.8
113.05938	7.4
117.03310	1.2
119.18078	0.9
123.08035	4.6
125.09578	1.9
129.05453	3.0
135.08038	10.0
137.09602	3.9
138.06758	17.4
139.07553	1.6
148.08833	1.6
149.09598	2.3
151.07428	1.0
151.11182	16.0
153.09109	30.5
154.09691	1.1
155.10658	3.4
163.11197	63.7
164.08609	1.1
164.11459	3.4
165.12726	3.1
167.10658	3.3
169.12251	100.0
170.12585	5.4
175.11205	2.5
181.12267	3.9
183.13756	2.1
192.95396	0.9
193.12273	5.8
195.13857	9.0
209.15364	1.1
211.13321	14.3
213.11243	3.7
213.14828	1.5
219.13867	3.8
237.14944	11.5
255.12370	14.1
255.15981	43.9
255.23259	89.9
256.16364	4.0
256.23615	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	255.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67698	0.8
57.03325	16.3
59.01250	0.9
70.01298	4.5
71.01225	1.5
73.02829	1.8
83.04897	1.2
85.02824	3.8
95.04911	3.5
97.02813	4.5
101.02332	3.0
108.99017	1.0
109.06477	8.3
111.04416	2.4
113.05991	1.1
122.03693	0.9
123.08052	1.9
135.08044	9.9
137.05930	1.0
137.09607	4.2
138.06761	37.0
139.07132	2.5
151.07616	1.3
153.09113	100.0
154.09477	4.6
163.11206	2.7
169.12294	2.7
175.11183	2.9
177.09102	2.3
183.13849	2.4
193.12268	14.0
211.13339	39.3
212.13643	2.8
238.05212	0.9
255.12352	34.8
255.23264	30.0
256.12735	2.7
256.23660	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	255.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	18.8
66.03086	1.1
70.27942	1.4
70.28291	3.3
83.04880	1.3
85.02865	1.5
87.07301	0.9
87.93311	1.0
95.04900	3.9
97.02827	4.2
101.02332	1.3
109.06461	10.1
111.04384	3.2
111.68139	0.9
119.77770	1.1
123.08029	3.1
135.08046	9.5
136.05141	2.0
137.05972	1.5
137.09627	5.4
138.06758	55.1
139.07097	2.0
149.09636	1.5
151.07489	1.5
153.09109	100.0
154.09444	4.0
163.11211	1.5
167.10623	1.2
175.11166	2.4
177.09087	3.5
183.13795	2.2
193.12251	10.7
209.15356	1.2
211.13327	18.8
212.13725	2.0
255.12357	13.9
255.23303	10.0
263.29520	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1442
Annotation	Nardosinanol H
Peak:m/z	Relative Intensity
50.32019	2.3
51.95357	2.4
57.03302	5.5
59.01248	28.0
63.86843	2.6
69.80755	16.2
71.01238	13.7
73.02809	23.4
78.84020	2.6
83.04854	4.5
85.02814	34.7
87.04363	3.2
95.04892	6.8
99.04372	24.9
99.73438	2.8
105.07019	4.5
108.89378	3.1
109.06448	7.5
111.04395	100.0
112.04732	5.2
123.08041	11.6
125.05959	13.1
135.08073	3.8
137.09601	7.8
138.06686	3.3
139.07559	4.5
149.09627	45.4
153.09050	10.2
163.11185	75.6
164.11543	5.6
167.10681	94.4
168.10979	6.7
175.11081	3.5
177.09088	5.0
179.10722	6.7
191.10786	3.8
193.12268	9.9
199.11160	3.4
201.09090	3.5
203.58736	3.1
207.13658	2.8
217.12262	35.9
225.15154	3.2
235.13371	42.5
253.14418	54.7
254.14465	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	253.2171
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
53.19703	11.0
59.01246	32.0
61.57983	10.7
64.99810	14.7
69.88011	62.4
71.01241	18.9
78.28594	9.4
89.02293	14.5
98.19825	11.4
101.02309	18.9
118.16194	10.2
134.89331	22.9
137.88292	10.6
173.26593	10.3
203.96146	11.4
234.30119	11.2
253.21759	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	255.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	15.6
57.09902	0.5
68.08694	0.5
69.03342	1.2
69.76827	2.4
69.77235	1.0
83.04900	1.4
85.02814	0.8
95.04893	3.8
97.02815	3.5
98.20457	0.7
99.08035	0.7
101.02329	3.1
107.04971	0.7
109.06480	8.8
111.04412	2.3
122.03600	1.0
123.08067	1.9
124.46262	0.6
125.05963	0.6
125.28286	0.6
128.38019	0.6
135.08044	7.8
136.05168	1.4
137.05984	1.0
137.09621	3.6
138.06760	42.0
139.07172	1.3
149.09673	0.8
152.08336	1.5
153.09109	100.0
154.09442	4.5
159.08018	0.8
163.11276	1.0
165.12769	0.9
175.11186	3.4
177.09077	1.2
183.13773	3.2
193.12268	14.8
194.12555	1.3
211.13326	41.8
212.13597	3.9
244.62376	0.6
255.12326	32.4
255.23206	5.8
256.12759	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	253.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	9.3
59.01250	24.4
69.03282	1.1
70.00896	1.7
70.01314	3.1
71.01244	10.4
71.04892	2.9
73.02818	23.0
83.04909	6.4
85.02821	34.5
87.04410	2.6
93.03334	0.9
95.04890	5.6
98.03611	1.2
99.04398	17.4
102.40298	1.0
105.06959	4.0
109.02852	1.3
109.06496	5.3
111.04401	100.0
112.04753	3.4
113.05984	5.4
121.06447	2.0
122.03545	1.3
123.04388	1.6
123.08076	9.5
124.05157	1.8
125.05977	10.6
129.05475	1.6
134.07260	1.9
135.08020	2.6
137.05965	1.3
137.09630	9.0
138.06779	5.3
138.64374	1.1
139.07536	4.4
147.07959	1.6
148.08849	2.7
149.09624	40.6
150.09903	2.0
151.03923	1.1
152.08333	2.5
153.09117	14.3
161.09595	3.2
163.11191	63.2
164.11511	3.7
165.12787	1.1
167.10678	63.6
168.10986	3.4
173.09518	1.0
175.07558	1.1
175.11195	4.1
177.09109	4.6
179.10724	5.1
191.10712	3.5
193.12271	6.3
197.08086	2.7
199.11203	2.8
201.09084	2.6
209.11781	2.0
211.13304	4.5
217.12282	31.4
218.12589	2.4
225.14864	2.3
235.13339	37.5
236.13734	2.7
246.30270	1.0
253.14424	45.8
254.14761	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	251.1649
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
57.03324	6.1
57.82494	0.4
59.01251	2.0
61.98687	0.4
66.42226	0.4
71.01262	1.3
71.52433	0.4
73.02805	0.6
85.02769	0.5
93.03299	0.5
96.69136	0.4
98.06758	0.3
101.02332	1.6
107.04903	1.1
109.02866	0.4
109.06473	29.8
110.06796	0.7
113.02345	0.8
121.02812	0.4
123.08073	0.5
141.09120	3.1
147.77933	0.3
173.99487	0.3
189.12740	0.5
191.14333	15.5
192.14690	1.6
197.04276	0.4
207.17471	5.9
208.17877	0.5
251.16513	100.0
252.16844	8.4
270.27457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27050	1.7
57.03314	2.3
59.01235	5.1
59.66478	1.4
63.46909	1.3
63.79777	1.3
64.03236	1.3
71.01260	7.4
71.53316	2.0
73.02816	1.7
85.02816	2.4
95.04879	2.0
99.08038	2.3
100.80640	1.4
101.02351	5.4
119.96947	1.5
125.09663	2.3
125.22834	1.8
137.09618	100.0
138.10017	3.5
161.04497	2.9
164.04762	1.6
171.45650	1.7
173.66672	1.4
178.44882	1.6
179.12250	1.4
203.14349	2.9
205.15919	10.3
207.17500	46.0
208.17850	2.8
223.16899	3.3
223.89534	1.9
233.15434	3.4
237.66554	1.7
251.16547	76.0
252.14389	1.7
252.16777	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	251.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	6.1
57.82494	0.4
59.01251	2.0
61.98687	0.4
66.42226	0.4
71.01262	1.3
71.52433	0.4
73.02805	0.6
85.02769	0.5
93.03299	0.5
96.69136	0.4
98.06758	0.3
101.02332	1.6
107.04903	1.1
109.02866	0.4
109.06473	29.8
110.06796	0.7
113.02345	0.8
121.02812	0.4
123.08073	0.5
141.09120	3.1
147.77933	0.3
173.99487	0.3
189.12740	0.5
191.14333	15.5
192.14690	1.6
197.04276	0.4
207.17471	5.9
208.17877	0.5
251.16513	100.0
252.16844	8.4
270.27457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1858
Annotation	9-Oxo-2beta-methoxyclovane
Peak:m/z	Relative Intensity
59.01241	4.1
61.98680	1.1
69.87862	0.8
70.36665	0.9
71.01256	1.3
78.35645	0.8
117.03300	1.0
120.31657	0.9
161.02237	0.8
161.09529	1.0
205.12288	1.2
205.15817	3.4
234.11426	1.2
249.07669	1.7
249.11494	1.6
249.14993	9.6
249.18564	100.0
250.14481	26.6
250.18767	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	250.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	70.6
59.01256	5.9
67.67638	2.6
70.02845	7.9
72.00771	7.5
78.84536	2.1
91.05405	5.0
98.20672	4.2
101.02951	2.1
106.10622	2.1
121.02795	6.1
129.79985	2.1
147.04416	29.9
164.07068	100.0
165.07358	7.5
206.08165	90.4
207.08492	4.0
250.12050	3.0
250.14398	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	250.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02845	27.3
58.18843	1.8
59.01232	3.4
69.42092	15.0
70.02850	9.1
72.00767	7.7
72.54588	2.3
72.99196	2.2
78.47455	2.3
88.37664	1.9
91.05396	5.8
104.56466	2.4
118.27443	2.0
119.04905	2.1
121.02843	19.9
129.31621	1.9
135.04408	4.2
135.28760	2.3
147.04402	43.1
163.03923	2.6
164.07077	100.0
165.07349	4.9
170.34291	2.0
206.06180	3.4
206.08151	67.9
207.08510	6.5
239.83022	2.3
250.14494	17.2
251.09074	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	249.1491
Annotation	Sch 601254
Peak:m/z	Relative Intensity
59.01247	15.9
61.98686	3.1
69.03318	39.4
71.01253	3.3
71.04905	1.5
71.52519	2.4
76.98729	1.2
83.04888	3.7
88.93480	1.3
93.03327	1.7
95.04893	4.4
97.06464	1.9
106.04124	3.5
111.08064	2.2
114.62730	1.3
119.04873	1.9
121.06421	1.5
126.02563	1.5
126.57959	1.3
134.07240	1.9
135.08083	1.8
136.01657	1.8
147.04413	1.9
149.13260	3.9
161.02440	1.6
161.13315	2.3
167.10634	3.9
175.11110	2.2
179.10640	2.3
187.14848	3.9
191.10622	1.7
193.12219	6.0
203.14236	1.6
205.12256	9.2
205.15926	16.2
206.16292	1.7
221.15410	16.8
222.15646	2.0
231.13846	37.4
232.14127	2.7
234.05257	1.9
249.07671	4.9
249.11037	2.8
249.14925	100.0
250.14496	16.7
264.09302	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	249.1129
Annotation	Methylripariochromene A
Peak:m/z	Relative Intensity
51.09534	0.5
58.50673	0.5
59.01245	0.7
63.11502	0.4
69.59360	0.7
69.59769	2.9
80.79675	0.5
93.03323	2.6
98.20551	0.6
106.04118	39.4
107.04993	3.6
108.02036	1.0
119.04914	2.7
121.02832	6.2
122.03161	0.5
138.03107	8.3
146.07260	0.5
147.04471	0.7
150.03111	5.1
163.03835	0.5
165.05487	5.0
175.11189	21.6
176.11534	1.5
182.02113	4.9
187.11215	13.6
203.03712	0.5
205.12280	21.3
206.12585	1.9
249.11284	100.0
250.11624	7.9
250.14265	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01222	0.4
63.99109	0.3
69.52255	1.2
69.52686	1.3
74.39995	0.3
78.95770	19.2
93.03320	0.9
96.12331	0.3
96.96838	18.2
106.04121	66.9
107.04301	0.7
107.04972	7.9
108.02061	1.7
119.04912	3.0
121.02843	1.5
138.03114	18.5
139.03461	0.8
141.07005	0.5
143.04832	0.4
145.06476	0.7
146.07294	1.0
147.08052	1.5
150.03114	2.7
159.08037	0.8
161.05959	0.9
161.77708	0.4
175.11191	30.7
176.11520	1.8
182.02119	2.8
185.09639	0.9
187.11198	18.4
188.11485	1.4
203.10666	0.5
205.12280	16.2
206.12547	1.0
234.05273	1.6
249.08907	13.1
249.11272	100.0
250.09291	0.8
250.11624	8.7
250.14215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27900	0.4
59.01242	0.4
71.17139	0.3
71.52549	0.4
78.95776	25.8
85.02811	0.4
93.03337	1.0
96.96838	23.4
106.04124	61.2
107.04315	0.6
107.04970	7.1
108.02060	1.2
119.04929	2.5
121.02831	1.1
138.02054	0.7
138.03123	15.0
139.03490	0.8
141.54263	0.3
143.04919	0.4
145.06473	0.8
146.07294	0.7
147.08067	0.5
150.03114	2.3
161.05974	1.1
169.10182	0.4
175.11205	28.0
176.11557	2.5
182.02159	2.3
185.09633	0.5
187.11226	16.1
188.11537	1.3
205.12282	16.3
206.12595	1.1
234.05391	1.6
239.82343	0.3
240.15469	0.3
249.08905	16.3
249.11273	100.0
250.09291	1.1
250.11635	9.8
250.14374	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0926
Annotation	Rigidiusculamide B
Peak:m/z	Relative Intensity
55.16510	0.3
57.03309	0.5
59.01235	0.3
67.01774	0.3
69.03318	1.1
69.04364	0.3
83.04889	5.6
88.97031	0.3
92.04927	100.0
93.03330	8.1
93.05259	2.8
95.01254	8.3
96.02040	4.2
97.02326	0.4
99.04351	0.3
111.04392	17.8
112.04757	0.6
118.02861	0.5
129.05505	0.3
131.03665	0.6
136.03961	1.7
144.04489	1.6
146.06004	10.0
147.06377	0.4
180.23827	0.3
186.09152	0.9
204.10219	1.2
248.09235	62.8
249.09511	4.0
249.11459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.08
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44012	0.7
58.99466	2.3
59.01246	5.1
69.18932	5.6
69.19344	2.1
78.95781	5.7
85.02814	1.0
87.00751	9.0
96.96834	9.5
102.16753	0.6
102.98492	1.7
109.22967	0.8
115.47408	0.8
117.03696	0.8
119.05247	100.0
120.05583	2.7
143.10767	0.7
189.05827	9.9
207.06889	10.6
249.08742	5.4
249.11411	1.2
249.14984	1.8
250.14500	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	246.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	3.4
71.01245	3.9
71.27997	1.0
72.99174	0.9
79.95609	6.4
80.02573	1.1
85.02821	2.2
89.02313	2.0
96.95889	12.4
99.22985	0.7
101.02323	2.3
103.03900	1.0
108.02051	30.6
109.02385	1.0
111.04382	0.7
113.02271	1.0
118.03217	1.0
119.03363	2.3
123.04408	13.9
126.56588	0.7
143.03448	0.8
152.01062	74.3
153.01385	3.0
167.03410	100.0
168.03775	5.5
179.24327	0.7
203.00107	3.6
209.06480	1.2
242.07005	0.7
246.99167	21.3
247.06229	1.1
247.16887	0.8
247.99646	0.9
259.82547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.17
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
53.69577	0.1
57.03317	0.2
59.01255	0.2
69.85824	0.8
70.32357	0.2
71.01237	0.6
73.39574	0.1
77.33120	0.1
103.03894	0.3
104.76820	0.1
130.14555	0.2
165.02016	0.2
176.99393	0.2
184.00153	0.7
185.06093	0.1
205.15758	0.3
209.68491	0.2
220.16975	0.3
231.13820	0.6
247.16994	100.0
248.08020	1.0
248.17337	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	248.0923
Annotation	Rigidiusculamide B
Peak:m/z	Relative Intensity
50.90128	0.3
69.24418	1.7
69.24839	1.2
83.04887	3.3
92.04929	100.0
93.03329	1.2
93.05244	2.7
111.04396	4.5
116.04961	0.3
120.04427	1.1
129.05478	0.5
131.86183	0.3
136.03931	16.7
137.04292	0.5
146.02304	0.4
148.03952	5.4
155.14993	0.3
176.10625	0.3
186.09154	11.9
186.10831	0.7
187.09486	0.7
204.10245	3.4
236.68907	0.3
245.02202	0.3
248.09239	35.3
249.09554	2.2
249.14935	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0815
Annotation	Decursinol
Peak:m/z	Relative Intensity
55.91699	0.3
59.01248	0.4
59.31570	0.3
61.98698	0.6
69.20839	2.8
70.25175	0.3
73.58191	0.3
76.96256	0.3
93.03311	0.3
108.02042	0.7
121.02728	0.3
130.03256	0.3
130.04134	1.4
131.04913	0.5
137.05946	0.4
145.02838	9.8
146.03638	2.2
147.04425	1.5
149.02365	0.3
153.02815	0.3
161.02280	0.5
173.02351	4.8
174.03131	33.7
175.03906	11.0
175.07468	0.4
176.04285	0.6
178.02649	0.9
183.08087	1.1
185.06036	0.4
186.06781	0.6
187.03911	0.3
199.07539	2.3
201.01891	0.6
201.09125	2.9
202.02213	0.5
202.09427	0.4
206.02130	15.9
207.02484	1.1
211.04076	0.5
212.04726	0.8
217.08665	0.5
227.07076	12.0
228.07460	0.5
245.08147	100.0
246.08484	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	245.0928
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
57.03310	0.9
58.02846	22.1
70.02848	17.9
71.52525	1.3
72.00775	4.6
72.04415	4.2
74.02341	100.0
75.02698	1.1
86.99724	0.9
98.02350	24.4
116.03420	30.4
116.04932	31.0
117.05289	2.0
130.06532	6.2
142.06512	7.9
159.09167	6.1
183.09135	1.9
186.05496	2.0
201.10269	7.3
202.10562	1.0
203.08185	88.2
204.08517	4.7
213.06607	1.2
243.26271	0.9
245.09280	80.5
246.09612	7.0
250.69044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25344	0.4
57.03316	2.3
58.02856	0.6
59.01247	36.7
70.57552	1.0
70.57950	1.3
71.04884	3.0
74.02349	1.6
83.04859	0.8
89.79102	0.5
90.31497	0.6
113.09622	1.3
127.11172	3.2
137.09634	0.6
155.34990	0.5
157.12247	11.6
158.03784	0.5
158.12605	0.8
165.12671	0.7
165.16779	0.5
174.03084	0.9
174.85234	0.6
175.03816	0.5
182.66457	0.6
185.11734	0.8
187.03937	1.8
188.03493	0.8
199.07458	0.5
201.11241	8.9
202.11650	0.9
203.12816	100.0
204.13159	7.8
209.11766	9.5
210.12062	0.7
211.03920	0.9
213.06680	1.1
227.07059	2.9
227.12811	1.2
230.07005	0.5
245.04445	1.0
245.08099	8.8
245.13890	4.6
245.16344	1.1
246.08354	0.9
246.14221	0.7
262.78769	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32262	0.2
51.75319	0.2
71.40117	0.5
73.97298	0.3
108.02042	0.5
112.70644	0.3
130.04140	1.0
131.04922	0.6
137.05975	0.3
143.95088	0.3
145.02837	7.9
146.03680	1.6
146.37628	0.3
147.04379	0.7
157.06503	0.5
173.02342	3.8
174.03128	27.2
175.03903	10.0
175.07503	0.4
178.02631	0.9
183.08040	1.5
184.05190	0.4
185.06055	0.3
187.03992	0.3
199.07561	2.2
201.09111	2.7
206.02129	11.3
206.04100	0.5
207.02516	0.7
212.04739	0.9
227.07077	8.8
228.07484	0.8
245.08144	100.0
246.08493	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	245.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94086	0.3
69.21159	3.0
71.73462	0.2
93.03326	0.3
106.04092	0.5
107.04891	0.3
108.01996	0.4
126.26031	0.3
130.04135	1.2
131.04922	0.5
137.05965	0.3
145.01680	0.4
145.02837	7.7
145.03940	0.6
146.03642	1.3
147.04393	1.1
161.02336	0.6
173.02348	4.8
173.09663	0.4
174.03133	26.5
175.03896	10.2
175.07535	0.4
176.04306	0.7
178.02585	0.8
183.08105	1.4
184.05215	0.5
185.05968	0.4
186.06789	0.7
187.03940	1.8
199.07578	2.3
201.09146	2.7
202.09523	0.4
206.02136	15.0
207.02451	1.0
212.04703	0.8
227.07072	13.7
227.09352	0.6
228.07352	1.0
231.01706	0.4
245.08145	100.0
246.08496	10.0
246.11060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75592	0.2
69.57808	0.2
84.54580	0.2
101.66225	0.2
103.05386	0.2
108.02074	0.6
130.04128	1.3
131.04929	0.6
137.05910	0.4
145.02844	8.8
146.03636	1.9
147.04414	1.3
157.06528	0.3
161.02350	0.5
173.02328	4.9
173.09625	0.4
174.03127	31.7
175.03893	10.7
175.07501	0.3
175.11230	0.2
176.04294	0.7
178.02638	1.2
181.06555	0.3
183.08043	1.5
185.06053	0.4
186.06770	0.6
199.07561	2.0
201.09088	3.2
201.12738	0.2
202.09459	0.3
206.02130	15.3
207.02437	1.0
211.03978	0.3
212.04735	0.9
217.08734	0.2
227.07071	12.5
228.07350	1.0
229.21552	0.3
245.08142	100.0
246.08492	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	245.0815
Annotation	7-Hydroxy-6-(2-(R)-hydroxy-3-methylbut-3-enyl)coumarin
Peak:m/z	Relative Intensity
55.18950	0.3
59.01235	0.3
61.84731	0.2
77.23645	0.2
87.24267	0.2
108.02036	0.3
130.04103	1.0
131.04871	0.3
145.01694	0.4
145.02844	7.7
146.03580	1.0
147.04373	1.2
157.06514	0.4
159.04427	0.2
161.02284	0.5
171.87697	0.2
173.02367	4.6
173.09685	0.2
174.03131	26.7
175.03903	9.5
175.07481	0.5
176.04330	0.3
178.02600	0.9
183.08081	1.7
185.05957	0.4
186.06822	0.6
187.03928	0.9
199.07597	2.2
201.09161	2.6
201.97464	0.2
206.02136	15.1
207.02515	0.8
212.04695	0.9
227.07088	11.2
228.07451	0.9
245.08154	100.0
246.08499	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	245.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	0.6
70.84646	0.5
70.85000	0.2
83.01254	0.4
95.01247	0.2
107.04875	0.2
108.02035	0.4
109.02788	0.2
117.03296	0.2
119.04923	0.2
130.04140	1.0
131.04919	0.6
137.06007	0.3
145.02846	8.0
146.03647	1.5
147.04425	1.3
152.32837	0.2
157.06490	0.4
159.04318	0.2
161.02342	0.6
173.02348	4.7
173.05852	0.2
174.03127	23.8
175.03908	9.8
175.07552	0.4
176.04285	0.5
178.02631	1.3
183.08052	1.1
184.05142	0.3
186.06729	0.4
187.03899	0.8
191.14334	0.6
199.07587	2.3
201.01784	0.3
201.05634	0.2
201.09161	2.9
202.13741	0.2
203.10777	0.2
206.02130	16.0
207.02486	1.0
211.03912	0.4
212.04724	0.6
217.08687	0.2
227.07071	10.8
228.07390	0.7
230.05852	0.2
245.08145	100.0
245.19067	6.7
246.08490	9.0
246.11116	0.3
246.19569	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0814
Annotation	Decursinol
Peak:m/z	Relative Intensity
61.98705	0.4
65.01695	0.2
65.23421	0.2
70.55019	0.3
77.14236	0.3
83.01265	0.4
85.54987	0.3
87.17016	0.2
97.40765	0.3
108.02003	0.3
109.54091	0.2
121.02872	0.4
130.04132	1.0
131.04950	0.4
137.05981	0.3
145.02844	7.7
146.03625	1.1
147.04408	1.4
157.06520	0.4
161.02332	0.5
173.02333	3.6
174.03128	25.1
175.03906	9.4
175.07416	0.4
176.04213	0.5
178.02640	1.0
183.08034	1.2
186.06779	0.5
187.03870	0.4
199.07547	1.5
201.09142	2.7
206.02135	15.3
207.02496	0.7
212.04591	0.7
227.07076	10.0
227.09348	0.5
228.07364	1.1
245.08144	100.0
246.08490	8.7
248.68765	0.3
252.66182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0428
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
52.85846	1.7
59.01236	4.0
59.30865	1.9
70.99219	3.9
72.99174	2.6
78.95772	100.0
87.00719	3.3
95.81669	1.5
96.96832	7.8
107.41002	1.8
125.09781	1.4
126.90152	1.8
130.96553	1.6
140.01703	2.0
150.97847	1.8
152.99487	72.4
153.99840	1.6
171.00549	32.6
174.03119	3.4
186.07594	1.9
202.94989	2.4
208.95203	1.6
245.04318	49.8
245.08089	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	245.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77494	0.2
62.23244	0.2
69.33804	2.0
89.88802	0.2
91.05434	0.2
107.04897	0.3
108.02048	0.7
121.02857	0.3
130.04115	1.0
131.04883	0.4
137.05969	0.4
145.02846	10.6
146.03644	2.2
147.04402	1.8
157.06491	0.4
161.02356	0.3
173.02357	5.7
173.09618	0.3
174.03128	36.5
175.03897	12.1
175.07474	0.6
176.04239	0.6
178.02621	1.4
183.08044	1.6
184.05150	0.4
185.06049	0.6
186.06757	1.0
199.07544	2.5
200.08148	0.3
201.09143	3.3
206.02127	15.9
207.02515	0.8
211.03870	0.2
212.04713	0.9
217.08464	0.2
227.07068	12.1
228.07439	1.1
245.08144	100.0
246.08485	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	244.0736
Annotation	Leucettamine B
Peak:m/z	Relative Intensity
54.20370	0.7
59.75578	0.5
61.98701	1.2
79.05365	0.6
93.03327	1.2
104.02548	5.3
107.04903	2.7
117.03345	1.5
118.04166	0.7
118.05022	0.6
121.02834	6.7
122.03581	0.6
130.04111	0.9
131.04919	0.9
132.02045	1.6
133.02831	2.8
145.02849	7.4
145.06479	0.6
146.03583	0.8
147.04376	0.7
148.01553	5.1
155.08572	3.1
156.05766	0.8
157.05257	0.7
157.06532	2.8
159.04358	1.2
161.02322	4.7
161.05951	1.4
171.08008	4.2
172.08836	8.4
173.02380	2.9
173.06007	2.1
173.28806	0.6
174.03108	7.1
175.03918	5.3
175.07552	1.8
181.06525	1.3
183.08020	1.2
185.06013	2.4
187.03862	1.4
187.07539	6.0
188.08333	5.0
189.01833	6.6
190.02588	2.2
198.06764	1.7
199.07565	23.5
200.07906	2.3
201.01845	11.2
201.05496	5.5
201.09166	0.7
203.03438	10.9
204.03784	0.7
206.02081	4.6
212.04680	0.9
215.07068	3.9
216.07867	4.5
222.01807	0.8
225.05481	2.5
226.06314	0.8
227.07060	11.0
228.07507	0.8
229.04993	11.1
229.25996	0.7
230.05386	0.7
243.06586	57.0
244.07347	100.0
244.14502	6.9
245.08073	39.2
245.15018	1.7
252.81160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1596
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
53.58187	0.2
55.01750	0.2
57.03313	0.8
59.01242	0.2
69.43982	1.0
69.44396	0.4
71.63773	0.2
72.99157	0.4
83.04888	1.2
84.01997	0.4
85.06458	1.5
97.06483	0.5
98.08776	0.2
107.19038	0.2
119.04910	0.2
123.08035	1.0
139.11182	5.3
140.11475	0.3
141.12784	0.5
147.37122	0.2
149.09558	0.2
151.11201	0.6
161.02321	0.3
163.11140	0.6
167.14314	0.4
179.14310	1.5
181.12250	1.3
187.03737	0.2
195.13829	3.0
196.14253	0.2
197.15388	36.4
198.15739	3.1
199.04012	0.2
201.11195	0.2
225.14891	1.3
241.14421	0.8
243.03059	1.5
243.06641	1.0
243.15971	100.0
244.16298	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	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03320	1.0
59.01241	1.5
69.03363	0.4
69.45737	2.7
71.01272	0.4
71.04897	0.9
72.99183	0.3
83.04885	0.9
84.02057	0.5
97.02825	1.7
97.06475	0.7
99.00748	6.4
110.03583	0.7
123.08076	0.9
125.09580	2.9
131.64246	0.4
135.07980	0.6
139.11185	3.9
141.12741	0.7
142.02591	0.6
151.11209	1.1
153.12714	1.2
155.14331	0.6
163.11143	3.1
167.14331	3.7
179.14374	0.7
181.12257	8.5
182.12581	0.6
183.10117	0.5
195.13800	1.3
197.11713	1.2
197.15399	31.1
198.15707	2.5
199.13295	5.0
200.13605	0.5
201.11281	1.2
202.11618	0.4
207.10188	17.1
208.10536	1.2
225.11281	24.4
225.14899	1.0
226.11656	1.3
241.14305	0.6
243.06609	1.0
243.12340	26.9
243.15981	100.0
244.12633	1.3
244.16350	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	243.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89839	3.5
66.03355	27.0
70.84440	6.4
82.02850	39.8
94.02828	3.7
97.58237	3.5
110.02358	100.0
111.01887	4.7
122.02310	10.3
129.70760	3.5
130.35175	3.5
140.03401	9.6
152.03407	14.3
153.02917	8.4
163.15685	3.8
200.05528	30.7
243.06320	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	243.0659
Annotation	5-Hydroxyseselin
Peak:m/z	Relative Intensity
57.03325	0.9
59.01246	2.3
65.00199	0.4
67.01752	1.3
69.52052	0.4
71.01244	0.5
75.00750	1.3
89.03816	0.4
92.02529	1.1
95.01267	1.1
95.04889	0.6
99.04408	1.5
108.02037	2.2
117.03334	2.8
119.01260	1.5
120.02045	0.5
123.00771	0.6
123.04408	3.3
132.02048	0.9
133.02846	13.3
134.03285	0.7
135.00706	2.0
139.11198	0.7
140.17017	0.4
147.00748	0.4
148.01544	2.4
157.06441	0.6
159.04422	1.1
160.01524	2.6
161.02345	74.9
162.02676	4.2
167.14362	0.5
173.05922	0.6
176.01077	4.2
195.13876	0.5
197.05952	0.7
197.15477	4.3
198.15648	0.5
199.06013	0.4
199.07576	12.4
200.07906	1.5
201.05592	0.5
215.07182	0.4
221.11812	0.4
225.05418	0.7
225.11264	0.6
229.15829	0.5
237.06149	0.9
243.06586	100.0
243.16025	18.0
244.06937	9.2
244.16328	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	241.1443
Annotation	Annuionone F
Peak:m/z	Relative Intensity
57.03322	12.1
57.04807	0.3
62.05705	0.3
69.55405	1.4
69.55813	0.5
72.99155	0.5
73.02818	0.8
80.71932	0.3
83.04907	1.0
85.06466	0.4
98.19820	0.5
100.35507	0.3
106.52196	0.3
121.06506	0.3
123.08041	2.7
134.07275	0.5
137.09622	4.0
139.11200	1.8
140.11533	0.3
149.09621	6.0
151.11189	2.2
161.09727	0.4
165.12738	2.9
167.14273	1.7
169.46506	0.3
177.12776	2.4
179.10718	1.7
188.81790	0.3
193.12323	0.4
195.13835	41.6
195.80220	0.3
196.14163	3.0
196.42116	0.3
223.13388	0.8
239.12907	0.7
241.14417	100.0
242.11990	0.9
242.14728	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	243.0618
Annotation	Spongouridine
Peak:m/z	Relative Intensity
65.68148	9.7
66.03368	14.2
69.90933	48.2
73.01774	9.4
82.02870	26.4
92.88641	8.1
103.16468	9.2
110.02345	100.0
119.04914	25.3
140.03387	19.6
152.03426	17.9
153.02974	20.6
191.25983	9.0
200.05611	39.9
218.44420	9.5
243.06424	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	241.1441
Annotation	Annuionone F
Peak:m/z	Relative Intensity
55.01755	0.8
57.03320	23.6
58.00458	2.4
67.02925	0.6
69.03322	63.5
70.03654	1.5
71.01241	1.6
71.21629	1.3
73.02804	3.9
83.04920	1.0
85.02808	7.3
87.04382	11.5
95.04898	2.2
97.02831	3.4
109.06452	3.2
111.04414	0.8
122.03597	1.5
123.08064	1.4
123.47488	0.6
135.08052	1.1
136.05150	1.1
137.05952	1.2
137.09595	1.3
138.06755	33.6
139.07137	1.0
151.07509	0.9
151.11214	1.2
151.46712	0.6
153.09109	65.3
154.09438	3.2
169.12262	1.0
183.13843	1.2
190.09932	1.0
195.13840	1.5
195.38699	0.7
197.15373	1.5
197.51662	0.6
205.12288	1.8
211.13544	0.6
223.13292	1.4
241.14406	100.0
242.14748	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	240.0662
Annotation	1,3-Dihydroxy-N-methylacridone
Peak:m/z	Relative Intensity
54.58849	0.3
65.61432	0.3
66.01693	0.3
68.29528	0.3
74.33667	0.3
91.73508	0.3
99.81173	0.3
118.78705	0.3
140.42854	0.3
164.02403	0.3
196.03952	3.7
197.04738	9.2
198.05148	0.7
225.04256	100.0
226.04576	8.1
229.22102	0.3
235.49155	0.3
240.06610	86.5
241.06958	8.0
241.09004	0.2
241.14471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0663
Annotation	1,3-Dihydroxy-N-methylacridone
Peak:m/z	Relative Intensity
58.61435	0.2
66.05138	0.2
68.45483	0.2
71.21396	0.3
85.70852	0.1
121.85952	0.2
195.13875	0.2
196.03943	2.3
197.04750	6.5
198.05164	0.5
205.73967	0.2
214.62791	0.1
225.04253	81.4
226.04596	6.8
233.86501	0.2
238.24509	0.2
240.06610	100.0
241.06941	9.8
241.14268	0.9
252.08046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1441
Annotation	A Factor
Peak:m/z	Relative Intensity
57.03319	17.2
58.00451	1.4
59.01237	1.6
67.01730	0.9
69.03322	50.2
69.34126	7.5
71.01232	1.8
73.02801	2.8
79.43829	0.8
85.02800	6.7
87.04385	9.0
95.04884	1.9
95.06574	0.8
97.02814	2.6
109.06447	2.6
111.04363	0.9
119.94003	0.8
121.37339	0.8
122.03585	1.0
123.08049	1.5
135.08029	0.8
136.05243	0.9
138.06760	24.6
139.07445	1.3
151.07582	1.0
152.08308	0.9
153.09114	50.4
154.09399	2.5
161.02339	1.5
169.12230	1.0
197.15369	2.3
205.12242	1.0
223.13295	2.0
241.14398	100.0
241.21536	1.5
242.14732	7.4
242.17065	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2012
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
52.02577	0.4
53.76449	0.5
57.03308	0.7
59.01247	7.4
69.66846	3.1
71.01240	0.8
80.35861	0.5
98.19771	0.7
125.02320	0.5
138.32816	0.5
161.04543	0.9
179.05479	2.0
195.13806	0.9
221.19051	0.9
225.04237	0.6
239.20117	100.0
240.06567	0.6
240.20465	9.7
244.76703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1648
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
54.33966	0.4
57.03096	0.5
57.03321	5.8
59.01239	3.6
60.99171	0.5
69.03320	2.3
70.09570	0.8
70.09991	1.4
71.01249	12.7
71.04893	0.9
71.38031	0.4
72.02032	22.4
73.02816	1.4
77.25135	0.4
81.03325	1.8
83.04887	14.5
85.02792	2.2
87.04385	25.1
88.04752	0.6
95.67538	0.4
97.06458	5.9
98.03611	8.5
98.06770	0.5
98.20596	0.4
99.04395	5.1
104.00951	0.5
107.04505	0.5
109.06491	0.7
111.08049	4.9
112.08363	0.6
120.69442	0.4
123.08031	1.9
137.09593	1.7
139.11194	1.9
149.09610	3.7
151.11180	6.4
165.12762	16.0
166.13071	0.8
167.14330	10.5
168.14659	0.8
170.13391	0.4
177.12732	0.8
183.11707	0.6
185.15410	1.8
195.13809	6.0
196.14035	0.5
197.15396	22.4
198.15712	1.8
201.12784	1.2
203.14291	2.7
205.08604	0.4
206.72481	0.4
209.15387	0.9
211.13348	2.6
211.16997	2.6
221.15402	7.1
222.15750	0.6
224.14096	0.8
239.16486	100.0
240.16820	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	239.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.4
59.01246	5.7
59.96590	0.5
66.51321	0.2
70.52122	0.3
70.52486	0.7
71.01256	0.3
74.98940	11.0
75.96100	0.3
75.98876	0.3
85.02798	0.3
86.93609	0.2
87.00744	1.0
87.04337	0.3
91.02077	12.0
93.00000	5.0
99.00726	0.3
104.56797	0.2
117.01827	0.2
149.00847	5.1
150.00833	0.4
150.98747	0.3
159.36302	0.2
160.07533	0.3
161.04427	0.8
179.05501	2.8
195.13782	0.8
206.99608	2.9
223.02763	100.0
224.02806	12.0
225.04266	1.1
239.05902	0.9
239.12813	0.8
240.06708	1.0
241.03828	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	237.149
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
50.49837	1.1
57.03315	4.8
59.01247	65.1
61.98714	2.1
69.03319	27.8
69.29932	5.8
69.30360	6.1
71.01244	5.8
75.00758	1.6
76.47749	1.2
77.76209	1.3
83.04879	2.2
83.89205	1.1
85.02810	2.7
86.09360	1.2
87.04386	5.8
93.03362	2.0
93.06985	2.3
95.04885	2.2
96.95889	1.9
97.06462	62.3
98.06786	3.1
101.02322	3.6
105.06966	1.3
106.65115	1.2
120.26069	1.3
121.06521	1.5
121.10112	8.9
123.00810	1.4
123.08037	69.5
124.08405	2.8
137.09639	2.6
139.07544	12.7
147.11691	14.9
165.12706	2.4
167.07047	6.9
175.14841	12.8
179.10692	4.1
183.06543	2.1
193.15884	3.0
219.13840	8.3
237.14905	100.0
238.15329	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	237.1491
Annotation	Canusesnol H
Peak:m/z	Relative Intensity
50.97438	0.5
53.52621	0.6
57.03321	60.6
58.03643	1.4
59.01238	1.9
69.48599	0.5
70.56441	0.6
70.56812	1.6
71.01257	5.9
72.02029	4.0
72.21455	0.4
81.06976	2.6
83.04893	18.8
85.02837	0.9
87.04385	100.0
88.04732	2.1
95.04894	2.4
97.02844	0.5
97.06463	13.5
98.03625	2.9
106.81191	0.6
109.06483	1.1
111.08063	0.6
113.05956	7.5
121.06480	3.9
123.08044	1.3
135.08049	2.5
137.09616	28.9
138.09909	1.2
139.07513	1.6
149.09618	1.7
151.11183	1.4
153.09111	15.0
154.09447	0.5
161.09662	1.3
163.11195	1.8
165.12735	10.6
175.11076	0.5
177.12790	1.2
179.10690	1.5
184.27568	0.5
191.91386	0.5
193.12277	1.8
195.13808	6.2
201.12794	1.3
204.11430	1.1
209.15457	0.8
219.13843	6.0
237.14914	68.8
238.15259	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	237.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	9.6
57.03317	17.0
58.00463	4.7
59.01248	79.7
71.01250	100.0
71.51144	4.5
72.01572	4.2
72.99174	7.0
73.02824	36.4
75.00749	7.6
83.01255	19.6
85.02820	54.5
87.00735	8.5
87.04369	5.7
89.02320	11.2
95.01280	7.3
95.41332	3.0
99.00760	13.8
101.02322	90.5
102.02697	4.0
107.04894	3.6
113.02319	33.2
119.03369	3.8
125.02305	3.8
129.01794	4.1
137.09589	3.9
159.02850	8.0
161.04457	34.6
237.09657	19.2
237.14882	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	236.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21572	0.4
58.12614	0.4
62.38583	0.4
70.81625	0.4
70.81993	1.2
75.89116	0.4
93.23488	0.4
100.56203	0.4
119.11822	0.4
130.21912	0.4
131.71680	0.5
134.03635	0.7
148.04071	0.8
148.05209	11.4
149.05579	0.4
149.09579	1.1
162.06729	0.8
175.07503	0.4
176.08395	0.9
177.09128	46.3
178.09485	2.9
190.09908	1.3
191.10611	0.8
192.11487	32.3
193.11903	2.5
201.09137	0.6
203.07225	0.5
208.70958	0.4
217.08698	2.8
218.09436	8.4
219.09741	1.0
236.10492	100.0
237.10838	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	235.1335
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
57.03321	22.8
59.01246	17.4
65.06061	0.4
69.03313	2.5
71.01257	3.3
71.04888	1.0
73.02812	4.5
83.04877	2.3
85.02817	9.1
87.04375	0.8
88.89330	0.4
89.65009	0.4
93.41856	0.5
94.02050	0.5
95.04869	2.2
97.06477	1.2
99.04395	12.1
105.06990	1.9
107.04912	1.0
108.05647	0.5
109.06482	6.5
110.34971	0.5
111.04363	0.7
113.05977	1.6
121.06492	5.0
121.10139	0.7
123.08055	4.7
124.08390	0.6
125.05994	0.9
133.06479	2.5
134.07249	0.8
135.08037	7.2
137.09610	17.3
138.10011	1.1
145.10048	0.8
147.08063	1.5
148.08858	2.4
149.09621	16.7
150.09920	1.0
151.07536	1.2
159.08086	1.7
161.05992	2.0
161.09628	1.6
163.11189	64.0
164.11530	3.8
165.09125	0.4
165.12776	2.2
173.09605	0.9
174.46594	0.4
175.07527	3.4
175.11197	4.2
177.09114	100.0
178.09474	6.5
191.10696	35.4
192.07733	0.4
192.11050	3.0
193.12262	7.8
194.12555	0.5
199.11253	2.5
201.09111	2.4
202.09895	1.7
207.13844	0.6
215.96370	0.5
217.12282	14.4
218.12601	1.1
219.10101	1.1
220.11044	0.8
233.57774	0.5
234.08873	0.6
235.13347	31.0
236.13718	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	235.1335
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
57.03323	22.3
59.01250	16.0
65.61651	1.1
69.03326	3.4
69.61954	7.1
71.01278	1.4
71.04878	1.1
73.02819	3.2
83.04877	2.8
85.02814	6.7
86.98563	1.4
95.04916	2.0
99.04411	8.6
105.06968	1.8
109.06487	4.9
121.06466	6.2
123.08034	7.0
125.06030	1.4
133.06487	4.3
135.08034	7.8
137.09618	17.2
147.08031	2.4
148.08841	2.1
149.09619	18.0
149.33121	1.3
150.09995	1.7
151.07597	1.4
159.08040	1.9
161.05960	2.7
163.11197	47.2
164.11516	2.3
165.12793	1.9
174.28709	1.2
175.07556	6.4
175.11209	2.4
177.09122	100.0
178.09433	6.8
191.10701	36.4
192.11017	2.6
193.12276	8.7
199.11281	1.9
201.09175	2.9
202.09949	2.4
208.62370	1.2
217.12267	13.7
218.12631	1.5
235.13354	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1335
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
52.89599	1.3
55.37643	1.1
57.03320	23.8
59.01251	20.2
60.00008	1.2
69.03323	3.2
70.00649	6.2
71.01244	3.9
73.02814	5.9
83.04887	3.7
85.02823	7.1
93.03310	1.8
95.04897	3.1
99.04399	9.1
105.03677	9.3
105.07001	1.4
107.04910	1.6
108.05753	1.8
109.06466	4.6
113.05965	1.9
121.06468	7.6
123.08048	6.9
128.28111	1.3
133.06505	5.3
135.08026	8.7
137.09625	17.9
147.08105	2.1
148.08855	4.5
149.09630	16.7
151.07599	1.4
159.08049	1.9
161.05957	2.6
161.09682	2.3
163.09827	2.6
163.11191	50.6
164.06844	1.3
164.11528	2.4
174.15369	1.3
174.88699	1.3
175.07553	6.1
175.11180	3.0
177.09122	100.0
178.09438	7.7
191.10699	31.4
193.05363	1.5
193.12274	7.6
199.11206	1.7
201.09140	2.1
202.09836	1.8
217.12244	12.8
235.13347	25.9
236.13675	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.097
Annotation	Monopentyl Phthalate
Peak:m/z	Relative Intensity
59.01230	1.3
69.47796	0.7
69.48198	2.0
72.99185	1.9
85.02824	0.7
92.00572	0.4
101.02315	0.6
105.17192	0.4
121.02838	100.0
122.03166	4.0
148.05237	0.4
157.06488	0.5
167.49469	0.4
173.09627	1.3
177.09140	0.7
191.07063	0.8
191.10719	1.4
235.06152	0.8
235.09715	6.5
235.13379	1.2
236.10001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98123	0.7
54.43613	0.8
57.03321	22.8
59.01243	18.5
69.03319	1.6
71.01245	6.0
73.02820	5.4
75.35193	0.9
82.87100	0.8
83.04893	2.8
83.05418	0.9
85.02820	7.4
94.74509	0.7
95.04896	2.4
97.06516	1.6
99.04401	10.5
105.06982	1.5
107.04915	0.7
108.05692	0.8
109.06512	4.8
113.05951	2.3
121.06461	5.2
121.10120	1.0
123.08062	4.1
126.92266	0.8
133.06496	1.8
135.08057	7.2
137.09612	17.4
147.08061	1.8
148.08841	3.3
149.09622	17.3
150.25252	0.9
151.07518	1.0
159.08025	1.3
161.05971	1.6
161.09612	1.9
163.11191	53.9
164.11499	3.2
165.09123	0.9
165.12701	1.6
173.09706	0.8
175.07550	4.2
175.11188	2.7
177.09119	100.0
178.09492	7.5
191.10695	30.7
192.11061	2.6
193.12260	8.7
194.12688	1.3
199.11253	2.6
199.94604	0.8
201.09174	1.9
202.09882	1.8
207.13802	1.2
217.12265	15.6
218.12599	0.8
219.10185	1.0
235.13364	31.7
236.13782	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	233.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09530	0.2
59.01242	4.4
59.96596	0.3
60.97380	0.5
74.98932	6.6
75.96062	0.3
91.02092	0.8
91.70103	0.2
93.00011	3.3
93.03341	0.7
104.60464	0.2
113.67279	0.2
115.38340	0.3
118.96136	0.5
134.99286	6.8
135.99211	0.3
136.97206	2.2
141.07330	0.5
143.05272	0.2
149.00851	69.2
150.00806	4.1
150.98741	0.4
159.08356	2.0
161.06303	3.5
163.68968	0.3
167.01877	0.3
173.04478	1.0
173.99416	0.3
179.46436	0.3
188.98553	0.3
201.03960	0.4
215.05624	1.5
217.07143	94.4
218.07266	8.9
233.10284	100.0
234.10435	11.0
234.15669	0.6
235.08310	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38108	0.2
59.01244	1.7
68.99684	0.3
71.01261	0.3
82.00493	0.2
92.02541	0.6
93.03328	6.6
94.03674	0.3
95.01256	3.3
98.19775	0.3
108.02042	3.7
109.02407	0.2
119.04917	2.9
119.70045	0.2
120.11519	0.1
121.02836	100.0
122.03166	4.0
123.00763	0.4
123.04397	0.2
135.04408	7.6
136.01521	0.2
136.04753	0.4
137.05916	0.4
146.07237	0.2
147.04407	1.7
149.02344	0.5
161.09656	0.2
163.03923	0.3
164.76758	0.2
165.05472	6.4
165.06871	0.3
166.05817	0.4
173.04475	0.4
198.76462	0.2
205.79239	0.1
233.11859	0.2
233.15439	2.3
234.15831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18423	0.3
57.03331	0.4
59.01253	1.9
61.98705	0.4
69.03283	0.4
71.01272	0.7
71.52126	0.3
71.52500	0.6
71.52861	0.4
72.99174	1.6
83.04873	0.3
96.90073	0.4
101.02317	0.5
108.02103	0.4
109.02792	0.3
121.02839	100.0
122.03181	4.1
149.02354	0.4
163.11206	0.6
173.09616	1.6
177.09193	0.6
191.03316	0.4
191.07050	0.9
191.10742	1.0
191.14197	0.4
213.52502	0.3
235.06053	0.8
235.09773	5.8
235.13382	1.3
235.15962	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55919	1.7
56.58404	2.1
59.01226	4.5
59.01518	1.5
71.52994	2.0
83.04898	46.8
83.76538	1.6
93.03339	30.2
94.03643	1.8
99.00679	1.8
99.92445	1.9
113.22368	1.6
133.01523	3.3
135.00768	2.4
144.04634	1.6
144.05699	13.7
145.02872	1.9
153.01823	8.1
156.79558	1.7
159.04274	1.7
159.06837	2.9
159.08061	47.9
160.05113	2.3
160.08344	3.6
160.99922	1.8
161.01093	21.4
161.02290	2.6
162.01627	1.8
174.03055	2.1
175.03471	2.2
187.03751	2.7
188.04747	10.6
192.04167	2.4
203.07069	100.0
204.07452	8.2
214.05743	4.4
215.06476	5.4
216.99461	1.6
221.08151	2.9
230.08156	61.8
230.15041	3.9
231.03006	2.2
231.06671	8.9
231.08018	1.5
231.10356	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0663
Annotation	(R)-(Homo)3-citrate
Peak:m/z	Relative Intensity
51.27218	1.0
59.01252	46.9
60.99187	1.5
67.01762	5.9
68.04694	1.0
69.03327	1.0
69.66677	7.2
69.67039	1.1
71.01243	2.8
76.55852	1.1
81.03359	1.3
85.02819	1.5
87.00729	3.0
91.95129	1.1
93.03334	28.6
98.19857	1.2
111.04402	5.2
115.00143	1.1
137.02315	4.0
155.03435	5.8
171.23259	1.2
173.04478	100.0
174.04800	3.4
191.05540	3.2
233.06633	41.4
233.15192	2.1
234.07005	2.2
252.19818	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	233.0945
Annotation	Polyprenyl phosphate
Peak:m/z	Relative Intensity
54.06459	0.3
62.77985	0.2
69.16857	0.7
69.17269	2.3
71.25282	0.3
78.95774	100.0
86.53619	0.2
90.81545	0.3
96.96840	77.2
98.19775	0.6
140.03664	0.3
150.15051	0.3
160.05161	0.2
165.54047	0.3
176.78574	0.3
205.38266	0.3
233.09435	60.0
233.15509	1.1
234.09770	3.7
234.11963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1441
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.99792	0.3
57.03321	0.6
71.01240	0.3
71.32796	0.4
86.24857	0.3
93.03270	0.4
98.18649	0.3
123.08011	0.5
165.12764	1.2
167.14320	34.9
168.14668	2.5
174.03134	0.5
180.42854	0.3
185.15414	0.9
211.13333	41.2
212.13687	3.0
229.14398	100.0
230.08540	0.4
230.14743	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	229.144
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.93095	0.4
56.03601	0.4
57.03311	1.3
63.11729	0.6
65.01338	0.4
71.04877	0.8
72.97905	0.4
74.53688	0.4
77.04841	0.4
82.40765	0.4
83.04887	0.4
85.02814	0.7
87.65908	0.4
95.01852	0.4
97.06503	0.5
109.08055	0.4
115.93354	0.4
125.09603	2.2
127.11178	3.9
134.46274	0.4
143.14841	0.4
155.14299	1.9
162.28078	0.5
165.12770	0.7
167.14336	1.7
171.10188	4.0
174.03119	1.0
183.13838	1.3
185.11830	0.5
206.02193	0.4
209.11806	2.7
211.13350	6.9
212.13594	0.6
229.14394	100.0
230.14726	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	230.0123
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
56.15873	1.4
56.56690	1.7
58.02849	1.9
59.01248	4.2
60.98306	1.5
70.02836	2.5
71.51323	3.0
72.99173	3.9
73.01046	5.1
82.02859	6.2
85.02811	2.4
95.27279	1.5
95.95056	2.0
96.04417	27.5
98.98970	4.9
107.04890	3.5
108.04428	26.4
114.00079	80.7
114.05508	2.9
132.98108	2.2
142.01369	5.7
142.03221	100.0
143.03589	4.0
151.03922	9.8
163.88748	1.6
170.08102	2.1
186.02245	42.5
188.09225	6.2
188.97122	4.4
189.07608	3.1
230.01239	76.1
230.10345	2.0
230.99606	5.0
231.01598	3.1
231.08696	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	230.0124
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
54.02381	1.8
70.38679	6.8
70.99468	2.1
73.01039	3.6
75.75903	2.1
76.35854	2.2
82.02841	5.7
84.69781	2.0
96.04407	15.2
98.98969	2.8
108.04436	20.7
114.00073	65.9
114.00876	3.3
142.03214	100.0
143.03436	3.0
153.78461	2.3
186.02245	43.6
187.10788	2.8
192.89842	2.0
222.77887	1.9
230.01228	96.6
231.01549	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	229.0864
Annotation	Demethylsuberosin
Peak:m/z	Relative Intensity
71.21429	0.2
71.21744	0.2
108.02012	0.2
116.06838	0.1
117.03304	0.2
123.04401	0.2
123.26163	0.1
130.04131	8.1
131.04434	0.4
132.02043	0.4
145.02878	1.2
146.03642	1.9
173.02342	5.1
174.03125	48.6
175.03458	3.0
178.02580	0.7
179.10698	0.2
198.03137	0.4
206.02129	31.2
207.02477	2.0
213.05504	3.4
214.06258	4.7
215.06583	0.3
227.07092	0.2
229.08640	100.0
230.08990	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	229.0865
Annotation	Hibiscoquinone C
Peak:m/z	Relative Intensity
50.55097	0.8
54.89108	0.8
55.61065	0.8
59.01242	1.5
60.16308	0.7
69.43710	6.2
74.52850	0.7
80.43612	0.9
93.03401	0.8
101.91250	0.8
108.02065	1.0
121.02852	1.7
121.19010	0.8
131.63644	0.8
132.93318	0.8
148.66747	0.8
157.06476	0.9
157.27731	0.7
160.05127	0.9
174.03143	2.2
185.05994	1.5
186.06772	1.1
198.03160	5.2
206.02254	1.4
213.05505	40.9
214.06267	40.2
215.06622	3.2
229.04976	3.3
229.08653	100.0
229.14253	7.4
229.17998	1.6
230.09013	9.3
230.15388	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00456	0.3
59.01224	0.4
61.98680	0.2
71.52455	0.2
82.97844	0.1
83.01243	0.2
85.02813	0.3
88.63558	0.2
92.36545	0.2
92.52843	0.2
93.03311	0.2
95.01215	0.2
98.85709	0.2
99.92445	0.2
100.95137	0.1
106.04112	0.5
107.04889	0.5
108.02012	0.6
109.02792	0.8
117.03328	0.6
121.02853	1.3
122.03637	0.5
123.04414	0.4
130.04111	0.3
132.02068	0.5
133.02859	1.1
138.03197	0.2
141.07019	0.2
143.04939	0.2
145.02835	2.0
145.06419	0.2
146.03600	0.3
149.02333	1.4
153.12761	0.3
155.08646	0.3
155.14319	1.6
157.06499	0.4
157.10117	0.6
159.03128	0.3
159.04346	0.3
159.08054	1.1
161.02348	3.6
162.02719	0.2
163.03844	0.2
167.14301	0.5
171.04317	0.2
173.02357	0.6
174.03133	4.7
175.03578	0.2
183.08034	0.2
183.13811	1.9
183.17400	0.2
185.05972	1.2
185.09618	0.5
185.15376	0.2
186.06775	1.9
187.02588	0.4
187.04022	1.3
187.07344	0.2
193.12178	0.2
199.07558	0.5
199.13342	1.3
201.01880	0.2
201.05444	0.3
201.07201	0.2
201.09109	3.3
202.09572	0.2
206.02130	1.8
211.03941	2.0
211.13322	1.8
212.04721	2.4
213.05493	11.0
214.06270	12.1
215.06613	0.7
217.23241	0.2
227.07086	5.3
227.12920	1.0
228.07657	0.9
229.08641	100.0
229.14342	28.8
229.18025	2.5
230.09001	8.8
230.14580	1.9
230.18304	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32359	0.5
57.03310	2.0
59.01231	1.3
61.04409	0.5
65.01308	0.5
71.04890	0.8
71.52544	0.5
71.52969	0.6
79.01224	0.4
81.03312	0.7
83.04898	1.6
84.02040	1.1
95.04898	0.7
97.06458	1.8
99.39330	0.4
101.06617	0.7
111.08035	3.4
139.11201	0.5
142.03928	0.5
163.11192	2.2
165.12759	25.8
166.13014	1.2
181.12236	0.5
183.13828	28.7
184.14137	1.7
191.10593	0.8
199.13324	0.9
201.07878	0.5
202.87932	0.5
209.11766	25.3
210.12114	1.7
211.03915	0.6
227.12830	100.0
227.16495	2.7
227.20042	4.1
228.13158	6.3
229.30368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03330	0.3
63.64719	0.2
69.03343	0.2
70.96198	0.5
111.08022	1.1
122.71870	0.2
156.03734	0.2
165.12758	19.9
166.13084	1.1
168.96626	0.2
181.12328	0.3
183.13823	100.0
184.14163	7.2
191.10735	0.4
199.14902	0.2
209.11749	2.0
210.12038	0.2
227.12833	19.2
228.13156	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	229.0865
Annotation	Demethylsuberosin
Peak:m/z	Relative Intensity
60.15073	0.1
70.34382	0.1
74.38394	0.1
79.82854	0.1
95.57779	0.1
98.20674	0.3
108.02039	0.8
111.05484	0.2
117.03380	0.1
121.02841	0.1
122.78716	0.1
130.04106	1.1
145.02850	12.6
146.03654	2.5
149.02324	0.3
161.02341	0.6
167.14459	0.2
170.07228	0.2
173.02347	5.9
174.03131	46.0
175.03461	2.5
178.02661	1.7
185.09665	0.5
201.09204	0.1
206.02133	28.7
207.02466	1.9
209.06084	0.1
213.05493	0.3
214.06325	0.8
227.07082	0.2
229.08643	100.0
230.08984	9.1
248.45410	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
54.85449	0.8
57.03300	1.0
58.00464	5.6
59.01236	1.1
61.44465	0.9
66.91674	1.1
69.11280	0.8
72.15648	0.9
73.02814	1.7
83.04901	1.8
84.02029	1.9
93.03339	1.2
97.06491	1.0
137.02342	1.3
137.09583	1.1
139.11156	1.2
151.11157	1.3
153.12730	1.5
155.04807	1.0
155.14319	2.5
163.11284	1.9
165.12769	6.7
169.12242	1.1
171.13803	2.9
180.83038	3.5
181.12279	4.8
183.13821	13.4
191.10669	1.7
199.13326	56.7
200.13667	3.3
209.11763	29.6
211.03922	2.0
227.07281	5.9
227.12836	100.0
227.16496	5.6
227.20132	8.7
228.06914	1.2
228.13162	8.3
229.11911	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
50.08843	0.2
51.20369	0.3
55.01757	0.3
59.01249	0.6
60.98616	0.3
69.55149	2.2
71.04885	0.8
80.02544	1.9
81.03325	1.4
83.01262	0.4
83.04897	7.6
84.02032	3.3
84.05209	0.4
95.04900	0.8
97.06390	0.4
114.19380	0.3
125.05926	0.6
135.08075	0.8
147.11765	0.4
163.11185	5.4
165.12770	4.0
181.12196	1.0
183.00394	0.4
183.13782	1.7
191.10764	1.7
199.13289	0.5
201.02374	0.4
209.11760	100.0
210.12105	7.1
227.03166	0.8
227.07115	0.4
227.12848	5.3
227.16486	0.5
227.20113	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	225.1127
Annotation	Chloriolide
Peak:m/z	Relative Intensity
59.01238	1.9
69.80968	2.3
71.04896	0.8
81.03346	0.5
83.04909	0.8
85.22606	0.5
93.03320	0.5
94.55128	0.4
95.04915	0.6
97.02825	10.8
98.62793	0.4
99.00739	3.3
104.11267	0.5
109.06472	3.5
110.03631	3.6
121.99500	0.4
123.04424	0.6
123.08070	0.7
125.09598	1.7
135.08060	2.0
136.05193	1.7
142.02614	5.2
145.27084	0.5
153.12820	0.7
161.09634	0.9
163.11197	11.7
164.11528	0.8
176.51030	0.4
177.26511	0.5
179.10670	1.4
181.05292	0.6
181.12257	31.9
182.06058	2.0
182.12607	2.2
184.03946	1.5
189.09178	0.7
197.11790	1.2
207.10204	69.7
208.10535	5.0
210.05284	0.8
225.11275	100.0
225.14902	4.5
226.05058	10.4
226.11624	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	225.149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	3.1
61.98700	0.7
64.06275	0.5
65.05865	0.4
69.24178	2.5
69.24603	1.7
70.84116	0.4
71.01257	0.6
83.04884	1.0
93.03339	0.4
96.91905	0.4
97.06473	0.4
98.19673	0.5
156.69203	0.4
163.11201	1.0
163.14832	1.1
169.12190	0.8
177.12660	0.5
178.83363	1.2
179.14346	0.6
181.12277	2.3
181.15866	0.7
195.13824	7.9
197.15392	4.3
207.10478	0.8
207.13837	24.8
208.14224	2.0
220.14697	0.4
224.90375	0.5
225.14899	100.0
226.04988	0.4
226.15273	8.3
234.04549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68747	0.3
55.35381	0.3
58.00470	0.5
59.01273	0.6
64.41978	0.3
65.00216	0.4
66.32748	0.3
71.01267	0.3
71.39601	0.5
83.04901	0.6
84.02029	0.3
129.07014	0.4
134.03714	0.3
139.11089	0.4
139.52492	0.3
143.86359	0.4
157.06537	0.7
165.12807	0.4
167.04982	1.4
168.05704	0.5
180.83032	0.8
181.06546	1.1
183.04456	2.2
183.08099	1.5
183.13849	2.1
185.05969	0.4
187.03857	0.4
197.05981	0.7
199.07587	1.0
199.13362	3.1
200.13779	0.3
209.06042	0.4
209.11771	2.9
211.03944	99.9
212.04408	8.6
225.05511	4.4
226.06117	0.4
227.07083	100.0
227.12846	6.3
227.16447	1.3
227.20052	2.1
228.07413	8.8
228.13197	0.4
234.80690	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
57.03310	0.6
58.00460	5.8
59.01238	0.8
69.03306	0.7
69.26558	0.4
70.26859	0.9
70.27248	1.1
71.01249	1.0
71.04890	0.7
71.33733	0.4
73.02796	1.6
81.03324	0.6
83.04911	0.6
84.02041	1.8
93.03358	0.5
97.06488	0.7
108.04976	0.4
128.38431	0.5
142.79779	0.5
146.19783	0.6
153.12740	1.3
155.14331	2.9
163.11177	1.4
165.12743	4.5
169.12259	1.4
171.13800	2.1
180.82961	0.9
181.12286	3.8
182.12610	0.6
183.13826	5.6
191.10690	1.4
199.13316	53.2
200.13647	3.8
209.11755	15.3
210.12079	1.1
227.07005	1.8
227.12823	100.0
227.20045	2.7
228.13174	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	223.1334
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
54.20587	0.4
57.03316	1.3
59.01247	7.5
61.98693	2.2
65.02952	0.4
69.03324	7.8
69.83489	0.9
69.83905	1.8
71.01244	0.7
71.04907	2.0
73.02802	0.4
74.98943	1.0
77.18185	0.4
83.04898	1.5
85.02795	0.4
85.06460	1.2
93.03319	1.1
95.04880	1.3
97.06435	0.5
107.63885	0.4
108.05659	0.8
109.06470	2.3
111.08022	0.8
121.02817	0.8
121.57986	0.5
123.08016	0.7
125.09589	1.2
133.10133	0.5
135.11679	0.9
141.09105	1.0
141.86769	2.0
149.00853	0.7
149.02333	1.2
149.09624	1.6
151.03897	0.6
151.11140	0.6
154.18671	0.4
159.87785	0.5
161.13310	1.2
163.03856	0.6
164.04712	0.9
166.06247	1.5
167.10686	8.6
168.11047	0.4
176.83618	5.0
177.12778	1.5
179.10748	3.7
179.14330	9.9
193.01360	2.2
195.13838	27.7
196.14177	2.0
205.12274	23.0
206.12619	1.8
208.03752	2.4
223.02791	5.2
223.06311	1.9
223.13339	100.0
224.02817	0.8
224.13678	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	223.1333
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
50.50760	0.3
57.03051	0.4
57.03322	6.8
57.45387	0.2
67.01733	0.3
69.06269	0.3
71.84106	0.3
81.03310	0.7
83.04892	48.4
84.05230	1.0
88.66022	0.3
95.04881	0.6
97.06463	34.2
98.06796	1.0
99.07994	0.6
101.98486	0.2
107.04903	1.6
109.06483	0.7
111.08021	0.8
121.02897	0.3
121.06480	3.3
121.10125	0.6
123.08036	1.3
133.51688	0.3
135.08035	1.0
137.09616	5.4
145.10127	0.4
147.08038	3.6
149.02344	0.6
151.11139	0.3
161.09641	0.9
163.11189	65.8
164.04761	0.4
164.11523	3.9
177.12749	1.0
179.14325	34.7
180.14651	2.6
192.62692	0.3
193.01379	0.6
196.06146	0.3
205.12280	0.7
208.03705	0.7
223.13335	100.0
224.13667	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	223.0607
Annotation	cis-sinapic acid
Peak:m/z	Relative Intensity
52.00129	1.1
59.01226	2.7
63.02274	0.9
65.00172	1.3
67.01765	2.0
73.02814	2.1
77.52904	0.9
82.89560	0.8
93.03329	19.0
109.02840	2.1
119.57780	0.9
121.02844	33.8
123.04395	1.0
134.03575	1.3
135.04427	12.6
135.06390	1.7
136.01523	1.6
137.02307	2.9
137.09563	1.1
148.01543	1.2
149.02342	74.2
150.02667	3.9
151.03868	3.3
152.01053	20.9
152.36240	1.0
163.03923	23.1
164.01062	1.4
164.04694	39.5
165.01831	18.0
165.05017	2.0
167.03394	3.7
169.04999	9.6
179.07053	16.5
179.10687	1.5
180.04181	1.6
193.01349	89.2
194.01672	3.5
207.02930	1.9
208.03706	100.0
209.04056	7.0
223.06065	56.3
223.13365	3.0
224.06317	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	223.0605
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
57.03336	0.8
59.01248	1.8
65.00218	0.8
65.29749	0.8
69.73685	3.9
71.01267	1.2
80.96442	0.7
83.01270	1.2
85.02830	1.0
92.27167	0.6
93.03329	5.9
97.06528	0.7
101.02339	0.9
107.01276	0.8
109.02849	0.7
117.03375	1.3
119.04917	1.6
121.02834	30.7
122.03191	0.8
132.02065	1.8
134.03636	0.8
135.04443	4.2
137.02318	1.3
147.04428	5.4
149.02342	100.0
150.02702	4.2
151.03899	1.7
152.01054	5.3
163.03899	7.3
163.11223	1.3
164.04698	54.6
165.01851	4.9
165.05016	2.4
167.03421	1.1
169.05011	4.0
178.99745	0.6
179.07022	7.0
181.72594	0.7
193.01343	25.4
194.01608	1.3
201.32823	0.6
208.03703	36.5
209.04095	1.5
223.02592	1.6
223.06052	34.5
223.09669	1.4
223.13354	3.9
224.06285	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.5
59.96598	1.1
60.56112	0.2
61.98690	0.5
62.66596	0.2
69.91923	0.4
69.92320	0.3
73.00996	0.2
73.02834	0.3
73.11135	0.2
73.56158	0.1
74.98940	15.7
75.96083	0.5
75.98889	0.2
93.00002	8.6
93.03325	0.2
98.19952	0.3
121.02828	0.3
147.83751	0.2
149.00851	13.1
149.02191	0.6
150.00783	0.8
150.98758	0.8
164.04677	0.3
165.01826	0.2
168.60332	0.2
176.83675	0.3
193.01346	0.7
195.13803	0.4
206.99628	6.2
207.99767	0.4
208.03680	1.1
208.97609	0.3
223.02768	100.0
223.13365	1.0
224.02806	11.2
225.00616	0.2
241.03815	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	5.2
55.21935	1.8
55.42250	1.7
57.03321	18.2
58.00746	1.7
58.02854	3.2
59.01242	13.8
60.04725	1.8
71.01249	12.2
71.52560	3.4
72.99167	6.2
73.02824	4.8
75.00732	7.8
82.06377	1.9
83.01264	12.1
84.02001	2.6
85.02820	100.0
86.03167	3.4
87.00738	4.6
93.03349	1.8
101.02325	13.8
103.03910	2.9
111.00760	45.8
112.01095	2.8
117.72739	2.4
119.04874	3.6
120.05206	3.9
121.02831	12.8
129.01828	31.5
129.05728	1.8
135.04427	2.7
145.85468	1.8
147.02849	6.8
149.02345	30.4
152.01065	4.2
161.04419	3.8
163.03822	5.1
163.11044	2.0
164.04674	19.2
165.01814	3.9
181.06889	2.3
187.02405	3.5
193.01372	15.9
205.03447	37.6
208.03706	24.8
223.02580	2.6
223.04475	34.8
223.06154	8.1
223.07977	4.1
223.13326	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	222.0766
Annotation	N-Acetyl-L-tyrosine
Peak:m/z	Relative Intensity
50.80129	1.4
58.02847	76.6
59.01247	64.0
69.61281	7.4
70.02837	2.2
71.01248	2.3
72.00763	3.1
72.99198	1.4
73.23651	1.3
74.02334	8.3
83.01257	1.7
83.04861	1.5
85.02811	11.8
93.03320	8.6
98.02350	5.3
101.02319	2.8
106.04056	1.6
107.04909	49.5
108.05203	1.4
111.00775	2.5
116.03403	1.3
117.32949	1.4
119.04913	100.0
119.58421	1.2
120.05250	5.7
121.02872	7.6
129.01826	4.6
134.03603	1.3
134.06017	3.8
135.04427	2.1
136.07576	77.6
137.07942	3.6
149.02344	14.7
151.07596	1.2
163.03914	29.4
164.04733	6.2
165.01958	1.5
176.07069	4.3
178.07068	2.3
178.08647	48.4
179.07108	1.5
179.09024	2.8
180.06577	87.4
181.06923	3.8
193.01337	6.4
204.06613	4.2
205.03458	5.1
208.03734	7.8
211.20540	1.5
222.07661	76.6
223.06039	5.9
223.08022	5.4
223.13379	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	220.0973
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
52.13910	0.3
56.46371	0.3
59.01245	6.3
61.98701	10.3
68.73611	0.3
69.81184	2.0
71.01250	0.9
82.21351	0.4
85.02819	0.8
98.19772	0.4
101.02304	0.6
107.04888	1.4
111.00761	0.4
113.02304	0.3
121.02867	0.3
135.04417	9.8
136.04668	0.5
144.04544	0.3
149.06094	0.3
163.00229	0.3
165.04218	35.7
166.04526	1.6
175.87527	0.3
177.05516	0.4
180.26961	0.3
190.99797	1.0
197.03221	40.4
198.03554	1.7
204.06653	1.0
205.07344	3.0
206.02046	0.7
220.09726	100.0
220.17816	6.0
221.04480	0.8
221.08052	0.7
221.10039	6.8
221.11919	0.4
221.15393	0.9
231.83456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0608
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
57.03316	3.5
59.01261	11.7
62.51799	2.1
71.01236	6.0
71.52543	3.1
72.99175	82.6
73.02807	3.0
91.05365	6.4
93.03304	4.2
98.02333	6.3
100.42027	2.6
107.04919	15.3
109.02837	5.8
117.03342	6.5
119.04897	4.6
121.02834	20.1
132.04445	18.1
134.03618	9.7
134.05998	12.6
135.04408	98.3
136.04747	2.5
144.04448	8.7
147.04414	80.7
149.06036	5.8
158.06026	28.5
160.03891	3.8
164.65608	2.6
174.05466	4.7
176.07088	10.7
177.05457	3.9
178.05035	4.1
179.03419	27.1
191.10643	2.6
192.28368	2.5
201.26492	2.4
201.28477	3.1
202.05064	11.0
220.06096	100.0
220.10843	4.0
220.14584	6.2
220.17868	4.0
221.04385	3.6
221.06522	6.0
221.11769	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	219.1385
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
57.03051	1.5
57.03323	29.7
59.01244	2.5
70.36018	2.5
70.36385	2.0
82.61294	1.0
83.04886	4.7
91.28667	1.0
95.04911	1.4
97.06453	2.8
98.19920	1.2
121.06491	4.7
123.08041	1.6
131.08522	1.3
133.06516	1.4
135.08006	3.5
137.09639	2.6
145.06447	1.2
147.11676	4.4
149.09619	3.5
151.11217	1.3
157.06454	1.2
159.08063	2.4
161.09616	10.4
163.07545	3.2
163.11209	1.3
173.09599	3.3
175.11188	12.8
177.09035	1.9
177.12744	17.3
185.09537	1.7
186.10225	1.0
189.07480	1.4
189.09041	4.9
189.12724	2.3
191.14337	3.5
201.12772	23.8
202.13078	2.0
203.10707	4.1
204.11491	24.3
205.11794	2.4
217.12305	2.6
217.83075	1.1
219.13838	100.0
219.17456	6.8
220.14240	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	220.0608
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
50.61287	1.7
53.17498	1.7
57.03308	2.8
59.01249	11.0
60.13219	1.7
61.55464	1.7
66.03353	3.8
71.01241	7.2
72.99176	70.1
73.02817	2.7
73.97742	1.8
77.43050	2.2
85.02810	2.9
91.05407	3.7
93.03362	4.8
98.02368	5.6
107.04890	11.3
108.30306	1.8
109.02818	3.9
117.03350	7.1
118.34618	1.6
119.04913	5.4
121.02848	16.2
121.06525	2.2
123.04404	1.9
129.21703	1.8
131.03685	2.0
132.04456	18.6
132.05365	3.3
134.03612	8.1
134.05983	13.3
135.04414	77.1
136.04793	2.6
144.04427	9.4
146.06018	1.9
147.04408	62.0
148.04793	3.3
149.05994	7.0
158.06009	28.1
159.80577	1.8
174.05522	4.6
176.04733	2.7
176.07089	13.0
177.05507	5.4
178.05011	4.8
179.03418	21.4
193.04970	3.6
202.05099	12.6
205.12283	2.3
220.06097	100.0
220.14549	8.7
220.17871	6.8
221.04459	3.0
221.06450	7.6
221.11771	3.3
229.24724	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	217.1228
Annotation	Chromoarnottione
Peak:m/z	Relative Intensity
50.32212	0.4
57.03323	8.4
57.64341	0.3
59.01231	1.1
68.84922	0.3
81.03304	0.4
82.74206	0.4
83.04890	1.7
85.02803	0.6
87.00710	0.4
88.96027	0.4
93.03315	0.4
95.04885	1.6
97.06429	0.6
105.06984	4.0
107.04897	1.0
109.06441	1.1
111.04362	1.0
121.06496	0.8
123.08041	2.8
131.31667	0.4
133.06488	3.3
135.08044	2.5
141.12311	0.4
144.05664	0.5
147.08063	3.3
148.05106	0.5
149.06004	0.4
159.08084	3.4
160.08670	0.5
161.05956	1.1
161.09642	2.7
173.05945	0.6
173.09608	4.5
174.06805	2.0
174.10420	0.7
175.07512	1.0
175.11189	23.8
176.11496	1.4
183.08073	1.4
184.08806	2.5
187.07564	2.1
188.08171	0.5
189.09076	0.5
189.12750	1.6
197.09563	0.5
199.11220	24.7
200.11583	1.9
201.09135	55.2
202.09865	14.4
203.03546	0.5
203.10281	1.0
215.10681	2.5
217.12282	100.0
218.04480	0.5
218.12627	9.0
234.08963	8.5
235.09262	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39737	0.3
59.01249	100.0
60.01572	0.8
61.98698	1.8
65.00198	0.6
69.95754	1.7
73.46359	0.3
90.97009	1.3
103.05363	0.3
107.04890	0.9
118.96522	0.6
120.25040	0.3
124.89052	0.5
131.04912	0.6
132.98085	2.5
138.32906	0.3
145.02782	0.6
147.04358	0.4
149.05936	0.8
161.02296	0.5
163.00224	0.6
170.88564	0.8
171.65112	0.3
173.05956	1.4
174.03094	0.9
174.99153	28.5
175.99471	0.5
189.01843	0.4
190.99696	0.4
217.00194	24.1
217.04951	3.0
217.08728	2.7
217.10606	0.5
218.00488	1.0
239.50708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0866
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
59.01257	1.2
73.04865	0.2
81.03323	0.7
83.04896	0.8
85.63622	0.2
89.10860	0.2
90.79929	0.2
93.03310	0.2
94.89013	0.2
108.02045	0.7
117.03315	0.3
119.04916	0.4
121.02833	0.8
123.04361	0.3
127.82288	0.2
130.04126	0.4
131.04918	3.2
132.02113	0.3
133.06439	0.3
134.03583	0.3
143.04927	16.9
144.05269	1.1
145.02878	0.3
147.04414	6.9
148.04820	0.3
156.05728	0.8
157.06496	56.0
158.06819	3.3
161.06010	0.3
168.04359	0.2
173.06030	0.8
173.09575	0.3
174.06790	0.5
175.03975	0.3
185.06007	0.6
187.03932	0.5
189.05510	0.4
201.05489	0.4
202.06302	1.8
217.08644	100.0
218.04663	0.3
218.08990	7.0
234.05283	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1025
Annotation	Glutethimide
Peak:m/z	Relative Intensity
50.66930	0.8
51.41098	0.8
59.01248	51.1
61.98695	1.5
65.01309	1.0
69.89038	0.9
71.52373	1.2
75.18855	0.9
97.02860	0.9
113.29013	1.0
117.03351	1.2
124.89066	3.0
128.51282	0.9
129.06985	3.8
130.04138	1.5
132.98108	1.6
134.03535	1.1
143.04909	1.1
144.00758	1.3
159.08049	6.2
166.39992	1.0
172.08829	22.9
173.09235	1.5
174.99162	16.8
188.89386	1.6
189.07680	1.3
189.09209	1.9
198.09160	3.3
204.07857	20.5
205.08176	2.1
216.01236	11.9
216.10239	100.0
217.00099	12.5
217.04782	1.5
217.06587	4.8
217.08658	2.3
217.10512	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	216.0057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92742	0.2
51.86134	0.2
58.46895	0.2
59.01247	18.7
61.98701	0.7
63.02248	0.3
65.00207	0.3
66.00991	0.5
69.48200	0.2
69.83940	1.5
75.58522	0.2
85.02795	0.2
86.45007	0.3
90.00964	0.4
91.01771	1.8
95.01247	0.5
97.02742	0.3
98.20462	0.4
108.02061	0.4
108.75608	0.3
112.01560	0.2
114.56302	0.2
115.01778	0.6
119.01286	0.6
123.00813	0.3
124.88984	0.7
128.16751	0.3
132.02054	11.3
132.98100	0.5
133.02460	0.5
135.00774	1.0
144.00867	0.4
145.01064	0.3
145.02853	0.3
147.04369	0.4
148.01550	0.8
159.00760	0.4
160.01485	0.4
163.00294	0.6
173.05963	0.3
174.03159	0.4
174.99147	5.3
187.00349	0.4
188.01064	40.6
188.89374	0.5
189.01402	2.1
206.02211	0.4
216.00577	100.0
216.97018	0.2
217.00719	6.9
217.04999	0.6
217.06865	0.3
217.08667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.2
59.96220	0.1
63.02274	0.2
65.00207	0.5
66.00982	0.6
67.01752	0.2
71.52425	0.2
77.92802	0.1
79.29678	0.1
90.00976	0.4
91.01759	1.4
95.01247	0.2
100.39091	0.1
104.02533	0.2
107.01221	0.1
108.02056	0.7
115.01772	0.3
119.01260	0.4
123.00816	0.2
132.02061	11.2
133.02429	0.4
135.00777	0.6
146.02388	0.8
147.00719	0.2
147.03140	0.9
148.01591	1.1
159.00766	0.4
160.01472	0.5
163.00253	0.9
174.99217	0.4
176.01077	0.2
187.00278	0.5
188.01067	38.0
189.01413	1.8
216.00578	100.0
217.00943	5.5
217.14354	0.2
225.92101	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	215.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91262	2.5
59.01256	12.3
64.82870	2.4
69.90076	2.0
71.01252	3.7
71.50894	2.9
71.51264	2.4
82.93564	2.6
83.88052	2.6
87.00763	3.9
89.02307	3.1
89.48443	2.4
99.10753	2.8
102.98405	2.7
108.74416	2.4
111.04413	4.9
127.03522	2.9
129.89314	3.1
139.01097	2.8
144.00766	9.5
161.44945	2.6
171.01930	2.4
173.08105	21.0
174.18065	2.8
175.52020	2.8
215.00908	100.0
215.03078	5.2
215.09016	4.7
215.12744	5.3
215.16371	2.9
215.69431	2.8
222.56689	2.6
235.76634	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	215.1645
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
51.78541	0.2
59.01244	0.2
71.37002	0.2
93.03334	0.2
122.89318	0.7
125.05226	0.2
139.11166	0.4
144.00800	0.7
169.15895	4.8
169.17360	0.2
170.16206	0.3
171.01915	0.2
186.89709	0.4
197.15388	1.9
213.14865	0.9
215.00943	5.7
215.16455	100.0
216.01199	0.5
216.16797	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	213.1127
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
57.03319	0.9
59.01244	0.7
69.01497	0.5
69.03328	0.7
71.10165	1.2
97.06493	0.8
106.77252	0.4
107.04951	0.5
108.88336	0.4
110.46291	0.4
110.60159	0.5
130.04002	0.6
151.11186	12.4
152.11505	0.6
169.12248	100.0
170.12602	5.7
183.13835	0.7
195.10147	0.9
195.13841	1.3
213.07677	0.7
213.09238	1.1
213.11258	17.5
213.14816	6.2
213.18468	1.1
214.11629	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1489
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
58.04977	0.3
69.23940	2.7
69.24361	1.0
112.15171	0.3
159.79132	0.4
183.13817	25.4
184.14168	1.8
195.13834	22.9
196.14119	1.9
202.17076	0.3
209.07339	0.3
213.14891	100.0
214.15237	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	213.1489
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01230	0.7
75.06882	0.4
87.21423	0.4
87.66869	0.4
93.36510	0.4
110.35406	0.5
115.67922	0.5
125.02374	0.4
171.06746	0.6
176.98157	0.5
183.13817	29.8
184.14212	1.4
195.13823	23.5
196.14201	1.8
211.13422	0.6
213.14893	100.0
214.15244	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	214.0867
Annotation	Bruceolline J
Peak:m/z	Relative Intensity
50.70862	1.0
59.01239	2.2
61.98701	3.1
65.01279	1.1
66.03354	2.2
67.01756	1.2
67.72458	1.1
69.89650	2.9
69.90063	3.8
71.01220	1.3
75.21262	1.0
77.27511	1.2
79.05399	1.7
81.03292	1.0
92.04935	4.7
93.03351	3.1
99.00787	1.3
107.03664	1.4
116.04948	3.3
118.02919	1.9
122.89310	9.7
125.02335	1.3
131.03665	33.7
132.04463	2.9
136.20694	1.1
137.02371	1.4
144.00810	8.1
144.04462	4.7
144.08104	4.1
153.12785	1.4
157.05241	47.1
158.06044	10.0
159.03133	3.4
160.03940	3.9
170.09610	1.6
171.01952	1.5
171.06786	4.3
172.07590	100.0
173.04575	1.3
173.07932	6.5
184.03958	3.7
184.14172	4.5
186.05475	7.9
186.09132	1.8
186.89677	4.9
187.06122	1.9
196.07629	2.7
196.14153	3.2
199.06342	3.5
200.06979	1.7
204.06604	14.0
214.01445	2.0
214.08694	56.5
214.15251	19.7
215.00923	69.4
215.09068	8.2
215.12825	3.0
215.16512	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	211.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09213	0.3
52.63724	0.2
52.83693	0.2
54.04393	0.3
57.03306	0.3
59.01237	0.7
61.98684	0.6
64.87838	0.2
67.01771	0.3
68.99726	0.3
69.03308	1.0
69.89650	1.4
83.04881	1.0
85.02831	0.3
93.03359	0.2
95.01251	0.5
97.02858	0.3
109.06496	0.4
110.25910	0.2
111.04402	0.2
123.08067	0.3
125.09604	0.3
137.09612	0.6
138.06808	0.3
139.03909	0.3
139.11188	0.2
151.00342	0.3
153.09109	0.6
155.10709	0.4
159.99940	0.3
165.12788	0.6
167.05942	0.5
167.10666	0.7
167.14313	1.6
181.01260	0.3
183.13824	14.4
184.14171	0.7
193.12259	3.9
194.12570	0.3
196.03755	0.6
211.05988	1.0
211.13329	100.0
212.07306	0.4
212.13673	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	212.071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.3
59.01541	0.1
65.03836	0.4
69.08516	0.1
69.77850	0.2
69.78255	0.3
71.29799	0.1
78.03354	0.1
78.35535	0.1
80.04920	0.1
90.74179	0.1
92.04933	0.2
92.66436	0.1
93.03333	15.4
94.03662	0.4
108.04458	0.2
141.19962	0.1
144.04410	0.3
146.02390	0.1
156.08116	0.2
157.05203	0.1
158.06041	0.1
165.12741	0.3
166.06522	0.7
167.14307	0.2
168.04474	0.3
168.08121	0.1
170.06030	0.1
170.85878	0.1
177.12766	0.3
182.05992	0.3
183.13823	29.1
184.07594	8.0
185.07961	0.6
193.05174	0.1
194.06047	2.3
195.06677	0.4
195.13829	24.2
196.03963	2.2
197.04749	8.5
198.05106	0.6
210.05524	0.3
211.06245	0.3
211.13281	0.6
212.07109	13.1
212.13687	1.0
213.07617	1.1
213.14894	100.0
229.03787	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	211.1333
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
57.03318	0.3
59.01242	0.4
59.88617	0.3
61.98685	1.2
67.01761	2.9
69.98839	1.3
71.63042	0.3
76.66102	0.3
82.98278	0.3
83.04910	0.7
85.06462	0.7
95.04871	0.4
119.30788	0.3
123.07992	0.6
125.02190	0.3
125.05956	0.3
125.09617	4.8
126.19837	0.3
137.09639	0.4
149.09660	0.4
151.11185	0.5
153.09172	0.6
167.10776	0.4
167.14288	3.8
170.74011	0.3
174.12517	0.3
176.86823	0.3
183.13849	0.8
184.24028	0.3
193.12263	1.1
196.03792	0.5
197.68230	0.3
211.13332	100.0
212.07576	0.4
212.13675	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	211.1332
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
58.12410	0.3
65.73808	0.3
69.03317	1.0
69.35596	2.0
69.36017	1.1
70.85137	0.3
72.22207	0.3
73.55840	0.4
83.04912	0.5
98.20584	0.6
101.80503	0.3
113.02296	0.3
155.10654	0.7
165.12770	0.5
167.10704	0.6
167.14331	1.7
183.13832	14.6
184.14197	0.7
193.12280	3.9
199.81375	0.3
211.13333	100.0
212.13661	6.8
234.83101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1333
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
57.03326	4.7
61.53045	2.3
70.75597	1.6
71.50814	2.1
71.51231	2.8
83.04841	2.2
87.04404	2.6
88.74172	2.7
88.74795	1.8
93.76283	1.8
97.02830	3.4
97.06448	3.5
109.06417	3.8
119.69324	2.0
121.06458	4.6
123.08031	29.2
126.06776	2.7
137.09613	89.3
138.06752	26.0
138.09917	4.0
150.06726	3.2
153.09116	48.2
157.95868	2.1
163.11183	12.3
165.05466	2.7
165.12698	4.7
167.27104	1.9
175.11134	4.7
178.09856	4.8
183.13860	5.9
193.12265	100.0
194.12547	6.5
211.13313	35.4
212.13654	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
55.01759	1.1
57.03317	4.5
66.64261	1.0
69.59547	7.2
71.04893	1.5
81.03286	1.1
87.04378	2.7
92.56633	1.2
95.04910	2.2
97.02834	2.1
97.06477	2.8
98.20546	2.7
103.52872	1.2
109.06435	2.6
111.08009	1.5
113.09595	2.4
121.06472	4.9
123.08035	26.3
123.92508	1.1
124.08354	1.4
135.08058	2.0
137.09616	76.4
138.06767	23.9
138.09962	3.3
149.05959	2.0
150.06747	3.7
152.08382	1.4
153.09106	44.3
155.10645	1.1
163.11172	11.0
165.12755	3.4
175.11174	5.8
178.09918	2.7
183.13811	6.6
193.12263	100.0
194.12549	5.6
207.31836	1.2
211.13335	39.1
212.13713	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
57.03325	5.9
58.64826	0.8
59.19326	0.9
69.03325	2.0
71.10709	1.0
71.11034	1.5
72.37241	0.8
87.04386	2.7
95.04922	2.3
97.02827	2.6
97.06452	4.9
99.08024	1.3
105.07008	0.9
107.04942	1.4
109.06456	3.0
111.04418	1.8
111.08012	2.2
113.09598	2.0
119.08542	1.1
121.06475	6.5
123.04390	1.0
123.08045	36.8
124.08397	1.0
126.06738	2.0
135.08041	3.0
136.05141	1.0
137.09615	100.0
138.06758	28.0
138.09959	3.9
139.07112	1.7
149.05933	1.0
150.06750	4.2
152.08340	1.6
153.09113	48.4
154.09412	1.9
163.11183	12.9
164.08298	1.2
165.09097	2.5
165.12762	3.7
175.11174	5.2
178.09903	3.0
183.13857	5.1
191.10561	1.1
193.12265	82.7
194.12589	4.2
201.76973	0.9
211.13327	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	209.1177
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
54.54873	0.6
57.03318	3.2
57.61073	0.5
58.28110	0.5
59.01247	100.0
60.01586	0.6
61.39327	0.5
70.74642	0.6
76.34852	0.5
78.45348	0.5
81.03343	1.6
94.39748	0.5
97.06462	2.9
102.30169	0.5
109.06469	3.6
115.39239	0.5
121.02820	7.7
137.05952	0.6
145.57933	0.5
162.46829	0.6
165.12776	4.6
167.03284	0.6
209.04419	1.4
209.08279	0.7
209.11742	16.8
210.12079	0.8
229.19447	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84151	0.3
57.03321	57.0
58.03677	0.4
59.01250	3.1
69.03326	5.1
69.28452	1.9
69.28880	1.9
71.01251	0.7
71.04892	6.7
72.99198	0.5
73.02838	0.5
80.66634	0.4
81.03343	0.9
83.04889	18.0
84.05239	0.6
84.32288	0.4
85.02821	3.8
85.06478	0.7
93.03371	0.4
95.01308	0.4
95.04936	0.8
97.06462	10.5
99.04425	1.1
99.08076	1.4
107.04912	0.7
109.02837	0.5
109.06480	7.2
109.07175	0.5
111.04424	1.6
111.08066	0.6
113.05994	0.5
121.02837	8.7
121.03663	0.6
121.06508	1.7
123.08049	17.3
124.03951	0.4
125.05978	3.5
125.09648	0.7
133.06458	0.6
135.04532	0.5
135.08109	1.4
137.06020	1.3
137.09612	14.0
138.09984	0.4
139.07512	0.8
139.11180	5.8
139.12085	0.6
141.09184	0.6
147.08128	0.5
149.09619	7.0
150.03215	0.6
151.07664	1.2
151.11255	0.6
153.09187	1.5
161.09616	0.5
163.11267	1.5
165.05547	1.3
165.09186	1.2
165.12761	10.8
165.14058	0.6
166.13187	0.4
167.03479	0.5
167.10722	0.6
173.09717	0.7
175.11197	0.7
176.08389	0.5
179.03471	0.5
181.12312	0.8
183.06876	0.5
191.10741	2.7
191.14342	3.4
193.12418	1.6
194.02254	0.6
194.05995	0.7
209.04367	3.1
209.11909	22.2
209.15405	100.0
210.12253	1.5
210.15758	5.9
210.17421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1176
Annotation	Pulchellon
Peak:m/z	Relative Intensity
57.03315	4.8
59.01249	7.5
61.98381	1.9
61.98698	37.6
69.03313	3.1
71.01251	18.2
71.04884	1.7
71.44530	1.3
73.02819	1.9
75.73319	1.0
80.02544	1.9
81.03310	3.0
82.70465	0.9
83.04900	5.3
84.02038	1.2
85.02814	1.8
92.99613	1.2
93.03329	2.1
95.04898	3.5
97.06464	5.2
106.42478	1.0
108.02051	1.3
109.06441	1.8
111.08005	1.3
120.47462	0.9
121.02837	81.9
122.03159	2.1
123.04427	1.7
123.08030	3.1
124.03892	2.1
124.71631	1.1
125.02319	1.7
125.09611	6.3
134.03633	1.3
135.04385	1.2
136.01508	1.7
137.05916	1.6
137.09662	1.7
145.10098	2.4
147.11685	2.9
151.03859	1.3
151.11182	27.4
153.12733	2.8
161.02266	1.3
161.09509	1.1
163.11177	8.0
164.94025	2.7
165.05530	1.1
165.09097	1.8
165.12762	20.4
165.35146	1.0
166.07503	1.0
173.09624	2.5
178.99808	1.7
179.03398	3.5
179.10667	5.7
181.12244	31.7
182.12608	2.5
191.10699	17.5
194.02080	2.2
194.05794	3.1
209.00914	1.9
209.04485	14.4
209.11757	100.0
209.94801	11.5
210.12143	5.4
220.86676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1176
Annotation	(+)-7-Isojasmonic acid
Peak:m/z	Relative Intensity
55.65700	1.1
57.03309	3.3
59.01248	12.6
62.75020	0.9
69.03326	20.9
69.19682	4.8
69.20111	7.4
71.04894	3.0
73.61568	1.1
80.02558	1.4
81.03313	2.0
83.04880	5.0
85.02803	1.4
93.03339	2.0
95.04889	2.7
97.06459	1.6
98.19737	2.7
109.06468	2.5
111.08028	3.3
120.02035	1.5
121.02847	27.8
122.03111	1.4
124.03902	1.8
127.07581	1.7
135.08038	2.4
137.09608	1.2
139.07536	1.3
142.37373	1.1
147.11760	1.8
153.09113	6.1
163.11203	3.9
165.09128	2.3
165.12756	21.0
179.03407	1.4
181.12247	17.3
191.10698	22.1
194.02104	2.8
194.05737	1.5
209.04482	4.7
209.11763	100.0
210.12068	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	209.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21730	0.4
55.01752	3.5
57.03316	2.3
61.98708	0.8
69.03310	0.7
69.82986	1.2
69.83392	0.6
71.01251	0.6
71.04893	1.0
80.02531	0.8
81.03327	4.1
83.01252	28.7
83.04907	3.7
84.01591	0.6
84.02042	1.1
90.65877	0.4
95.04873	1.8
97.06461	4.0
97.12327	0.4
98.20535	0.6
105.47809	0.5
106.04095	0.6
107.04931	0.5
109.06470	0.5
110.03644	0.4
111.08025	0.5
115.20900	0.4
121.02840	5.1
123.08025	2.3
125.09605	22.6
126.09930	0.9
135.07997	1.9
142.02646	0.3
147.11676	1.0
153.12759	0.6
163.11189	10.6
164.11534	0.4
165.12769	3.4
167.10638	0.5
173.09517	0.3
177.81480	0.4
181.12224	1.7
183.63884	0.3
191.10690	6.2
192.10992	0.4
199.14542	0.4
209.11757	100.0
210.12122	5.1
224.05545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.8
57.03316	8.6
57.62761	0.7
58.00435	1.2
59.01241	2.5
61.98681	2.3
66.91015	0.7
68.99678	0.7
69.03326	1.9
69.51705	4.9
69.52111	1.8
71.00855	1.0
71.01249	20.2
71.04877	1.8
73.02805	2.7
78.31343	0.8
80.02533	2.9
81.03325	2.0
83.01254	2.1
83.04884	5.2
84.02036	1.4
93.03298	1.3
95.04920	3.6
97.06460	6.6
98.19909	1.4
98.20548	1.5
106.04131	1.0
107.04910	1.1
109.06450	0.9
111.08022	3.5
121.02853	11.1
123.08014	1.8
123.63383	0.7
125.02337	0.8
125.09615	7.4
133.10098	1.2
135.08031	1.2
137.09587	1.4
140.28304	0.8
145.10103	3.2
147.11699	1.9
148.34175	0.8
149.09521	1.4
151.11183	30.6
152.11526	1.6
153.12735	3.2
161.09644	1.7
163.11176	9.4
165.09084	1.1
165.12761	26.9
166.13087	2.3
167.10623	2.5
173.09593	3.4
179.10695	6.8
181.12253	40.4
182.12622	2.3
191.10709	16.8
203.58069	1.0
209.04445	2.4
209.11760	100.0
210.12164	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	209.1176
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
57.03323	5.6
59.01247	2.2
61.42833	0.8
61.98688	2.5
68.48013	0.8
68.99677	0.8
69.03326	3.4
71.01251	20.8
71.04898	1.7
73.02816	1.6
80.02561	1.6
81.03333	2.3
83.01259	5.9
83.04909	4.6
84.02031	3.1
93.03323	1.7
95.04900	4.0
97.06477	6.3
107.04908	1.4
109.06464	2.0
111.08011	2.9
121.02845	16.7
123.08012	2.0
123.52840	0.9
125.02345	1.1
125.09608	11.3
134.03632	1.7
135.08011	2.6
137.09575	1.5
145.10123	2.9
147.11668	2.9
151.11185	30.9
152.11565	1.0
153.09258	0.8
153.12749	3.7
161.09557	1.5
163.11185	12.4
165.12749	19.9
167.98741	0.9
173.09637	2.6
179.10699	4.5
181.12251	42.9
182.12492	1.8
191.10695	20.8
192.10988	1.0
209.04509	2.3
209.11765	100.0
210.12051	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	209.1176
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01753	0.5
56.73339	0.6
57.03318	0.7
59.01252	4.1
61.98697	25.7
69.03336	0.5
69.70720	2.7
69.71127	0.9
71.01260	1.0
81.03338	0.7
83.01252	0.9
83.04893	1.2
85.02818	1.0
91.01796	0.7
93.03323	1.5
95.01277	0.7
95.04908	0.6
97.06481	0.8
98.19812	1.2
109.02859	1.0
120.02018	0.9
121.02839	58.8
122.03181	2.3
123.04364	0.9
124.03915	1.0
125.02294	0.7
125.09686	0.8
135.04382	0.7
136.01620	0.8
137.02322	0.7
137.05991	1.7
161.02356	0.7
163.11168	1.1
164.94029	1.0
165.01883	0.7
165.05447	1.2
165.12741	1.1
166.06042	0.6
176.52443	0.7
178.99706	0.7
179.03416	2.1
181.12234	0.9
194.02144	2.0
194.05780	2.1
209.04518	8.6
209.11766	100.0
209.94838	6.7
210.07765	1.0
210.12120	5.8
212.38002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0661
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
51.44141	1.3
54.45338	1.3
55.01743	4.6
57.03319	26.1
57.20819	1.3
58.00460	3.0
59.00956	2.2
59.01246	43.0
68.99692	1.9
69.03346	1.9
70.08631	1.5
71.01250	35.9
71.51188	2.1
72.99190	10.5
73.02796	5.4
74.98944	1.4
75.00742	2.4
80.96378	3.4
83.01251	6.8
84.02034	6.7
85.02819	95.3
87.00750	27.9
87.04371	2.1
89.02310	15.2
94.02816	1.9
95.01266	1.5
96.95868	5.0
97.02799	3.3
97.06458	1.6
99.00745	3.4
101.02313	18.3
103.00227	1.3
108.02053	2.0
110.02357	2.2
110.93306	6.7
111.00768	11.2
119.03361	6.2
121.02853	5.2
125.02345	3.9
129.01830	53.2
131.03400	2.3
133.01315	4.8
141.01843	4.8
142.99780	2.5
156.98984	1.5
159.02837	11.3
166.92320	11.1
177.23048	1.3
179.03346	2.2
184.61215	1.6
191.01852	8.7
194.02136	2.9
203.90790	1.5
208.93359	1.8
209.02940	7.9
209.04817	4.7
209.06584	100.0
209.11757	3.1
209.97453	2.7
210.00711	2.2
210.04163	1.9
210.06848	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	209.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15072	0.5
55.01745	1.3
57.03322	1.4
59.01258	3.4
61.98700	100.0
65.00194	0.5
68.18830	0.5
69.03321	0.9
69.29782	5.1
71.01238	1.5
81.03335	3.5
83.01252	16.3
83.01719	1.0
83.04896	3.2
84.02042	0.8
84.81598	0.6
85.02843	0.7
88.30631	0.5
91.01768	1.6
93.03340	1.3
95.04903	1.2
95.62830	0.5
97.06476	2.8
106.04086	0.5
109.02824	0.5
109.06470	0.8
111.04398	0.5
114.17010	0.5
120.02026	1.2
121.02838	74.5
122.03131	2.4
123.00780	0.6
123.08047	2.4
124.03941	0.9
125.02338	0.7
125.09601	14.5
135.04440	0.6
135.08063	1.4
136.01508	1.4
137.05975	0.6
147.11731	0.9
150.03169	0.9
151.03879	1.1
151.11201	0.8
161.02303	0.9
163.11205	7.0
164.94003	1.8
165.01755	0.6
165.05452	0.9
165.09091	0.7
165.12727	3.4
166.02626	0.6
179.03374	2.0
180.80833	0.6
181.05023	0.5
181.12250	2.2
181.26094	0.5
191.03465	0.6
191.07056	0.9
191.10695	7.0
194.02136	1.6
194.05786	2.5
208.93098	0.9
209.04497	11.7
209.08261	2.1
209.11760	77.2
209.94833	33.0
210.05009	0.7
210.07529	0.5
210.12045	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	209.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	12.8
59.01241	12.5
69.49287	22.0
71.01253	31.9
72.45246	2.9
72.99194	6.9
75.00745	4.4
84.02036	3.9
85.02819	100.0
87.00750	4.7
89.02289	4.9
95.01247	2.8
96.95891	11.9
104.08211	2.9
111.00704	4.3
121.02837	19.4
123.04384	3.6
129.01840	10.1
132.49001	2.6
133.01347	9.0
137.02412	3.3
141.15752	3.5
147.02931	2.8
165.05513	4.6
179.03397	4.2
191.01930	25.4
194.02097	5.5
209.02841	23.3
209.04587	11.2
209.08073	5.2
209.11632	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	209.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10664	0.6
52.11904	0.8
53.27845	0.7
55.01746	3.0
57.03321	37.1
58.00460	0.7
58.99477	10.8
59.01249	17.3
63.96093	0.9
65.80701	0.6
66.03983	0.7
67.01768	0.7
68.99675	2.2
69.03333	1.2
71.01251	38.8
72.01616	0.9
72.99174	9.8
73.02818	2.3
74.98965	4.3
75.00739	6.8
76.82694	0.7
83.01242	3.7
83.04905	4.9
84.02036	4.3
85.02821	100.0
86.03159	2.0
87.00751	7.4
89.02314	12.5
93.20061	0.7
96.95869	3.7
97.02810	1.0
97.06469	1.1
99.00777	1.5
101.02325	2.4
103.00233	1.6
104.04926	1.4
107.04927	0.8
111.00759	5.7
115.00263	1.8
118.70484	0.7
120.03318	0.8
121.03071	4.9
121.06480	0.9
121.19640	0.7
123.08060	4.2
124.03938	1.7
129.01828	13.2
133.01311	7.1
135.04410	1.2
136.99057	1.9
137.02415	1.0
137.05952	1.2
137.09612	2.5
139.11200	1.0
142.99753	4.4
145.42165	0.8
147.02872	2.6
148.03954	1.7
149.09615	1.2
153.85651	0.7
159.02884	1.1
165.05521	1.4
166.04974	2.6
173.00800	1.3
179.03490	1.3
191.01901	14.3
191.03606	1.5
191.14494	0.9
192.02287	0.9
209.02934	13.7
209.04640	2.7
209.06422	11.7
209.11800	2.3
209.15399	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	207.1384
Annotation	7,8-Dihydro-alpha-ionone
Peak:m/z	Relative Intensity
57.03320	100.0
58.03667	1.9
58.52886	0.8
59.01234	3.8
61.08288	0.8
65.40385	0.8
69.03323	7.4
69.56927	5.8
71.04889	2.8
75.08852	0.8
93.03338	1.3
95.04892	3.9
97.02809	2.7
106.04126	1.7
107.04897	1.4
109.06478	15.0
111.08012	1.5
121.02815	1.3
121.06464	5.3
123.08014	1.6
133.06480	2.8
134.03590	1.1
136.05203	1.0
137.09612	21.5
137.11913	0.9
138.10039	1.1
139.07549	4.7
149.02374	0.9
149.09637	6.4
151.07555	2.4
151.11179	1.9
163.11203	2.0
165.12735	3.8
177.01831	3.4
189.12790	4.2
192.04144	3.0
192.11481	54.7
193.11809	2.7
207.02885	1.2
207.06587	2.0
207.13831	82.4
208.06052	1.7
208.14217	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	207.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02834	1.7
59.01250	100.0
71.52290	1.3
71.52702	1.7
72.99174	10.9
73.87143	1.3
75.00752	2.0
93.03323	3.6
107.04893	1.7
109.02872	1.7
109.82130	1.3
119.04911	11.9
121.02782	2.6
122.03569	3.5
134.03606	4.0
135.04404	4.2
137.09645	1.9
143.04909	2.7
147.04414	96.2
148.04749	7.0
149.02303	3.8
149.22304	1.6
163.00319	1.6
163.03946	2.0
163.11124	1.9
165.05482	81.9
166.05840	3.8
177.01816	10.5
189.05513	1.6
190.04977	6.0
192.00586	3.4
192.02605	2.4
192.04156	10.9
193.01379	2.2
207.01143	7.6
207.02927	3.8
207.04819	1.8
207.06654	8.2
207.10138	4.4
207.13779	1.6
208.06155	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	207.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02834	1.7
59.01250	100.0
71.52290	1.3
71.52702	1.7
72.99174	10.9
73.87143	1.3
75.00752	2.0
93.03323	3.6
107.04893	1.7
109.02872	1.7
109.82130	1.3
119.04911	11.9
121.02782	2.6
122.03569	3.5
134.03606	4.0
135.04404	4.2
137.09645	1.9
143.04909	2.7
147.04414	96.2
148.04749	7.0
149.02303	3.8
149.22304	1.6
163.00319	1.6
163.03946	2.0
163.11124	1.9
165.05482	81.9
166.05840	3.8
177.01816	10.5
189.05513	1.6
190.04977	6.0
192.00586	3.4
192.02605	2.4
192.04156	10.9
193.01379	2.2
207.01143	7.6
207.02927	3.8
207.04819	1.8
207.06654	8.2
207.10138	4.4
207.13779	1.6
208.06155	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	207.1019
Annotation	12-Hydroxyjasmonic acid lactone
Peak:m/z	Relative Intensity
55.01756	2.3
57.03320	79.3
58.02840	13.1
59.01245	6.7
59.03170	3.5
68.99681	1.1
69.03327	4.0
70.68503	3.2
71.01244	1.3
71.04892	4.9
74.81549	1.0
75.00745	1.9
81.03352	2.4
83.04871	5.4
84.02029	1.2
85.02834	1.2
85.06451	2.3
93.03343	2.0
95.01219	1.1
95.04902	6.5
97.02831	1.4
97.06477	3.7
99.00694	1.2
107.04921	6.2
108.02026	1.2
109.02832	3.4
109.06477	6.9
111.04382	2.2
111.08037	3.3
113.05988	6.2
119.05277	7.2
119.08510	1.6
121.02879	2.8
121.06458	6.4
122.03586	2.7
123.04396	4.3
123.08042	23.9
125.05975	2.9
133.06436	2.5
135.04404	3.9
135.08044	2.6
137.06000	8.5
137.09613	58.8
138.09950	2.5
142.00244	1.6
145.06448	1.3
147.08070	6.1
148.04854	1.0
149.02301	1.8
149.05963	6.6
149.09634	8.7
150.03116	1.1
150.06763	2.0
151.03816	1.6
151.07541	12.1
151.11171	6.7
155.80940	1.2
159.08049	3.0
161.09651	4.0
163.03914	2.5
163.07535	8.9
163.11200	17.4
164.04689	3.5
164.07115	2.1
164.08337	9.6
165.05386	1.4
165.07454	4.6
165.09109	9.4
165.12753	13.1
166.09555	1.1
167.49246	1.2
169.11513	1.2
170.05800	1.3
171.05582	1.1
173.06013	3.2
174.06841	3.2
177.01820	10.5
177.05470	5.1
177.09113	2.5
179.10696	23.5
189.09126	25.3
189.12729	2.6
189.14232	1.3
190.09441	1.6
191.07034	1.5
192.00496	1.9
192.04184	11.4
192.06177	1.8
192.07814	16.0
207.02893	2.5
207.06660	6.1
207.08614	4.6
207.10207	100.0
207.13809	63.2
208.10504	5.5
208.14117	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	206.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73818	0.8
58.02847	74.7
59.01229	1.1
59.03167	0.9
67.53358	0.9
69.46262	7.6
69.46606	1.4
70.02847	11.4
72.00787	4.8
72.69702	0.8
84.30546	0.8
88.94524	1.1
91.05408	11.1
93.24500	1.0
95.06680	0.9
112.37110	0.9
135.04335	1.1
147.04414	31.7
147.05592	1.7
148.04724	1.3
162.09203	1.2
164.07077	100.0
165.07454	4.5
189.54008	1.1
206.08163	48.2
207.08444	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	206.0816
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
51.74042	0.5
51.88227	0.4
52.15933	0.5
58.02847	41.9
60.34234	0.5
60.34569	0.5
63.27053	0.5
66.11983	0.5
70.02850	13.7
70.30347	1.9
71.62392	0.4
72.00782	6.1
91.05405	13.1
91.05956	0.8
105.16309	0.6
135.04425	1.2
147.04419	38.3
148.04779	1.3
162.09148	1.6
164.07085	100.0
165.07430	3.3
206.08167	35.4
207.08498	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1591
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
56.32575	0.2
58.02837	0.2
59.01255	0.3
61.98699	0.4
71.01222	0.2
72.99192	0.3
79.28026	0.2
85.02799	0.3
98.20567	0.4
101.29564	0.1
111.00755	0.4
117.03324	0.2
133.02847	0.2
135.53246	0.2
147.04405	0.2
161.02354	0.3
161.06003	0.4
162.89169	0.3
164.07043	0.5
177.01810	0.2
189.12752	1.7
190.02669	0.2
205.01387	0.3
205.15903	100.0
206.08223	0.2
206.16255	7.0
207.73198	0.2
225.39053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0815
Annotation	Methylone
Peak:m/z	Relative Intensity
57.01783	0.3
58.02845	2.3
59.01245	1.0
60.59372	0.3
61.98700	3.4
69.27389	2.9
70.02866	0.3
75.00742	0.3
84.51875	0.3
86.51630	0.3
93.03320	1.9
104.50013	0.3
108.02082	0.3
109.06479	0.7
121.01967	0.7
121.02839	13.4
135.04442	0.3
147.04427	1.1
149.02301	0.3
149.09622	0.4
151.02652	52.4
152.02992	1.9
163.00237	0.5
163.11136	0.5
164.07065	3.0
164.89386	0.3
177.01892	2.7
183.01656	38.0
184.02010	1.3
190.05067	0.7
190.99799	0.5
191.05785	3.5
192.00493	0.5
192.04213	2.6
206.08159	100.0
207.02913	0.8
207.06648	0.6
207.08487	5.2
207.10236	0.5
207.13736	0.5
207.17465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72908	0.4
52.91550	0.4
55.01751	0.8
67.01765	4.3
71.01240	0.4
72.99176	38.6
73.02815	3.7
83.01259	5.5
85.02822	9.7
98.87010	0.3
99.00758	4.2
99.04382	0.8
101.02322	2.6
111.00758	100.0
112.01115	2.5
115.03844	1.9
129.01846	3.9
143.03398	6.0
154.99763	15.3
155.01033	0.8
156.00093	0.7
173.00821	17.6
205.03430	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	205.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26220	0.3
56.92360	0.3
57.68492	0.4
58.02848	1.7
59.01242	1.4
61.98692	0.3
65.01308	0.4
67.01776	0.5
68.99682	0.6
69.03323	0.7
69.51597	2.4
71.01241	1.1
72.99182	3.1
73.02837	0.6
74.76147	0.4
82.00461	0.7
83.01263	0.6
85.02809	1.5
87.00751	0.5
92.02529	1.8
93.03336	4.0
95.01260	25.0
99.00754	1.0
106.00491	0.9
108.02047	22.6
109.02372	0.5
111.00753	5.3
115.00276	0.8
117.03361	0.3
120.05573	0.3
120.39043	0.4
121.03996	0.4
121.04279	0.5
121.05070	2.9
123.00755	3.5
125.02358	0.3
129.01860	0.5
133.02795	0.5
135.04466	0.6
136.01556	100.0
137.01897	3.2
138.06142	0.3
147.04430	1.5
154.99698	0.6
161.02361	1.1
161.05940	1.0
161.09641	4.1
162.89253	1.1
163.06174	0.6
163.11168	0.4
164.07048	3.1
173.00827	0.7
177.01843	0.7
177.05475	0.7
187.03964	0.7
190.02657	1.1
190.99811	0.6
205.01402	0.9
205.03348	0.4
205.05124	2.4
205.06859	0.8
205.08673	4.5
205.12328	0.9
205.15921	5.3
206.04861	0.4
206.08118	0.9
206.16179	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01698	0.4
55.01754	0.5
58.02857	0.6
67.01762	5.3
69.32513	3.5
71.01245	0.9
72.99180	41.2
73.02824	4.1
73.99534	0.7
83.01257	5.1
85.02824	9.6
87.10397	0.3
89.04369	0.5
99.00760	4.5
99.04414	1.2
101.02315	3.2
103.97275	0.4
111.00761	100.0
112.01108	2.8
115.03910	1.4
129.01814	4.2
143.03363	5.6
147.04405	0.4
152.58890	0.3
154.99768	15.8
155.01039	0.9
164.07103	0.9
168.59804	0.4
173.00816	13.6
187.11205	0.4
205.03491	3.6
205.12277	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	205.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74483	0.3
52.89956	0.3
54.21566	0.3
55.01743	0.8
56.45212	0.4
58.02848	0.4
67.01753	4.0
69.30663	1.7
69.31093	1.9
71.01260	0.6
71.67841	0.5
72.99175	42.6
73.02809	4.3
73.99502	0.5
83.01255	6.4
85.02292	0.5
85.02819	8.7
98.20577	0.8
99.00751	5.1
99.04390	1.3
100.86988	0.4
101.02310	3.0
111.00761	100.0
112.01102	3.4
115.03907	1.6
121.05119	0.5
129.01837	4.0
143.03383	5.5
147.04335	0.5
148.05159	0.6
154.99756	16.3
155.56935	0.4
156.00107	0.5
161.02368	0.4
161.06061	0.5
164.07092	0.5
173.00833	15.0
174.01184	0.4
175.00238	0.7
190.02635	1.1
205.01755	0.5
205.03445	3.3
205.05008	0.7
205.12308	2.3
205.15932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
63.07610	0.6
66.90488	0.6
67.01759	4.8
71.01222	0.6
72.99179	46.9
73.02818	4.2
81.50320	0.5
83.01254	6.4
85.02824	10.6
86.89969	0.7
99.00731	5.7
99.04376	1.1
99.73733	0.6
101.02322	2.7
109.98197	0.7
111.00762	100.0
112.01094	2.7
115.03921	1.5
120.55895	0.6
123.59978	0.6
126.99793	0.6
129.01825	4.4
143.03392	6.2
154.99776	13.5
156.00082	0.6
161.06097	0.6
164.07082	1.1
173.00832	12.8
205.03473	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	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.3
57.03316	0.8
57.89371	0.6
58.00466	0.9
58.02843	1.9
59.01249	17.4
67.00028	0.9
67.01767	5.0
68.99689	1.4
69.75035	4.1
69.75435	1.1
71.01251	8.5
72.99178	45.0
73.02819	10.1
75.00726	4.0
83.01253	7.5
83.04893	1.7
85.02823	10.3
87.00746	8.3
89.02332	0.8
96.99245	0.8
98.19737	0.9
99.00758	10.2
99.04394	3.2
101.02317	4.9
108.40006	0.7
111.00761	100.0
112.01096	2.5
112.98699	2.9
115.00246	9.5
115.03927	1.6
115.53814	0.8
117.01840	2.9
118.03200	2.5
124.98758	1.0
125.02319	6.3
127.03905	1.6
129.01801	5.7
130.99773	4.0
142.99773	2.7
143.03391	6.2
143.07117	1.1
144.00600	1.0
145.01314	3.7
145.04953	2.5
154.99763	15.0
161.04271	1.5
173.00835	11.9
175.02371	1.3
205.03487	4.7
205.09044	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	204.0871
Annotation	N-Acetyl-L-fucosamine
Peak:m/z	Relative Intensity
55.01751	0.8
55.81025	0.5
56.97897	0.9
57.03321	3.1
58.02557	0.9
58.02846	18.1
58.99468	0.9
59.01250	13.7
59.32236	0.4
62.15395	0.5
67.01756	3.2
69.03335	2.7
69.91289	2.3
71.01253	4.3
71.04894	0.6
72.00757	0.5
72.04401	2.4
72.99178	26.0
73.02812	5.8
74.73553	0.5
75.00749	1.4
81.03323	1.0
82.02864	0.5
83.01255	4.9
83.04911	1.0
84.04414	4.0
85.02817	19.3
86.05991	1.7
87.00751	4.2
87.04382	0.8
88.03909	2.5
96.04427	0.7
97.02805	0.8
97.06459	0.7
98.02343	1.0
98.05984	5.9
98.19852	0.4
99.00754	5.0
99.04382	1.9
100.03918	12.3
100.07564	0.9
101.02322	4.3
102.94839	0.5
108.04424	2.7
110.05996	2.3
111.00760	67.5
112.07536	0.7
112.98688	0.8
113.02343	0.6
114.05493	4.4
114.09119	2.8
115.00254	3.2
115.03889	1.4
116.04911	2.2
116.07053	14.2
117.00049	1.0
117.01789	1.2
124.03909	0.9
124.07579	3.9
125.02329	5.6
127.00318	0.7
127.03857	0.6
128.07069	2.2
129.01840	2.7
130.04977	0.5
130.08652	0.6
132.04486	0.5
132.06549	1.4
135.04753	1.6
138.05511	3.8
140.05998	1.0
140.07066	18.4
141.07407	0.7
142.08633	1.8
143.03392	3.9
143.07050	0.4
144.06555	1.4
145.01300	0.9
145.04984	2.0
154.99757	9.9
158.08131	44.6
159.08449	1.6
160.03946	14.5
160.09694	0.8
161.04335	0.9
162.07605	4.6
168.06590	3.3
173.00819	9.4
181.34128	0.4
186.07637	20.3
187.02362	0.6
187.07890	0.8
193.01787	0.4
202.07155	2.1
204.03055	1.8
204.08704	100.0
205.03423	3.7
205.07074	1.1
205.09045	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	203.082
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
50.04974	1.0
51.14360	1.0
52.25475	1.0
52.42308	1.2
60.23971	0.9
60.61434	1.0
63.88536	1.0
71.00410	3.2
72.00786	20.5
74.02341	34.3
75.02681	1.0
79.10910	1.1
82.63193	1.0
84.65508	1.0
87.00776	1.1
116.04943	100.0
117.05276	3.9
130.06540	3.7
135.83681	1.0
142.06526	31.0
143.06848	1.3
149.69070	1.2
157.07568	1.1
159.09181	14.3
161.04779	1.6
186.05537	3.5
190.22723	1.3
203.03258	1.2
203.08200	46.6
204.08563	2.8
210.50452	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.4
69.03548	1.3
69.63752	10.1
70.02850	3.6
70.07402	1.3
71.01248	3.9
72.99181	3.9
83.04879	1.5
84.04426	3.0
95.04903	8.0
97.01582	1.8
98.02360	14.5
98.19862	2.8
108.04417	6.1
110.02360	23.5
110.05996	5.4
111.04406	3.0
112.03910	10.0
112.07553	6.2
113.02306	1.4
113.05967	4.4
122.33712	1.3
123.03158	3.2
124.03924	1.8
126.05511	5.0
128.03426	1.5
136.03928	8.6
138.05511	16.7
154.03851	1.9
154.04994	23.8
155.03380	5.4
156.06567	21.4
157.04901	4.1
164.31967	1.5
172.06082	2.6
182.04504	33.2
186.68877	1.5
195.26543	1.6
199.80258	1.7
200.05569	100.0
201.03966	10.9
201.05904	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	199.1333
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
56.36033	0.4
57.03304	1.5
59.01241	1.5
65.01326	1.0
66.32788	0.4
68.99686	0.6
69.23074	2.6
69.23504	1.8
71.01249	0.8
71.04878	1.9
71.36650	0.5
73.02787	0.5
79.30820	0.4
83.04916	0.7
85.02809	1.6
91.02899	0.5
95.40539	0.4
98.19749	0.9
99.00743	1.8
99.04407	1.0
99.08022	0.8
106.04010	0.5
111.00766	0.6
111.08025	0.7
113.02280	0.7
117.08874	0.5
125.06006	0.6
125.09618	1.9
127.03883	1.0
127.11157	4.3
137.05937	0.6
137.09636	1.1
151.03922	0.5
153.12759	1.0
155.10684	2.9
155.14311	1.0
156.62891	0.5
157.05104	0.7
158.03481	0.7
163.11082	0.6
172.05008	0.6
181.12227	1.0
197.11784	1.6
199.04237	0.8
199.06061	4.1
199.13324	100.0
199.16998	2.8
200.03481	0.7
200.13654	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	199.1333
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
57.03308	0.9
59.01245	2.3
64.44541	0.6
65.01316	1.3
66.80695	0.6
68.99685	0.7
69.56100	2.9
69.56503	1.2
71.01257	1.6
71.04903	1.4
73.02814	0.8
79.76563	0.6
81.03303	0.7
83.01260	0.8
83.04910	1.0
85.02834	2.2
89.01331	0.7
91.02934	0.6
92.99680	1.2
95.43789	0.5
97.60706	0.6
98.20598	0.6
99.00747	1.8
99.04377	1.0
99.08019	1.3
109.02814	1.2
111.00751	1.5
111.08031	0.8
113.02293	1.4
123.04375	0.8
127.03892	1.7
130.03989	1.2
155.10655	6.0
157.05096	1.1
163.11183	1.0
169.12256	5.6
172.05089	1.2
181.12265	20.4
182.12663	1.0
197.11821	2.3
197.72231	0.6
199.02412	0.8
199.04187	1.0
199.06099	5.6
199.09694	3.8
199.13327	100.0
199.16975	4.0
200.13676	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	198.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79002	0.6
62.91769	0.6
68.87595	0.6
69.21474	6.7
73.58752	0.6
79.05399	14.6
80.05738	0.7
82.38536	0.6
92.04935	2.9
98.19775	1.3
98.20459	2.0
115.45703	0.6
128.17319	0.5
131.03635	2.4
132.04466	1.0
137.09413	0.6
137.29840	0.7
144.04453	1.0
155.07304	21.1
156.07674	1.0
157.05273	3.5
158.05986	1.5
160.84109	3.9
162.83813	9.2
168.36775	0.6
170.09688	4.9
180.08098	20.1
181.08406	1.6
182.05974	0.9
183.06784	2.6
196.07603	1.6
197.08221	0.7
197.80698	5.1
198.09166	100.0
199.09517	8.8
206.33611	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67020	0.4
70.46873	0.9
70.47260	1.3
74.22060	0.5
79.04971	0.9
79.05399	12.9
92.04901	2.5
119.63742	0.5
131.03647	1.9
132.04413	0.5
144.04457	1.3
155.07303	20.5
156.07649	1.3
157.05247	2.9
158.05974	2.3
160.84149	2.5
162.83809	6.1
170.09674	6.1
171.10039	0.5
180.08090	18.1
180.09679	0.9
181.08452	1.2
181.68178	0.5
182.05991	0.8
183.06802	2.9
197.08318	0.9
197.80743	1.8
198.09158	100.0
199.09497	5.8
199.13264	0.9
211.06268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0969
Annotation	7-Hydroxyperoxy-1-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
50.69025	0.6
57.03326	0.8
59.01248	73.4
65.01318	0.8
69.23630	7.1
71.04863	0.9
85.02799	1.0
87.04366	0.6
111.00737	0.6
111.08036	27.4
112.08406	1.1
137.09633	1.3
139.07553	12.4
155.07069	1.3
155.10661	6.0
157.08604	100.0
158.08986	3.0
172.05026	0.7
173.04614	0.8
199.06102	2.6
199.07904	1.1
199.09705	2.6
199.13327	5.1
199.17058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1539
Annotation	cis-5-dodecenoic acid
Peak:m/z	Relative Intensity
50.36381	0.3
51.01858	0.3
57.03319	2.1
59.01229	0.5
60.99193	0.3
63.04590	0.3
67.48354	0.3
69.03319	1.5
69.34164	1.9
69.34584	1.1
71.80376	0.4
83.04906	0.4
109.06417	0.6
121.02837	0.5
121.62599	0.3
123.00764	1.9
123.08038	5.5
137.09627	0.6
138.03116	0.4
139.11176	17.2
140.63629	0.4
141.12756	2.0
151.11179	2.6
166.99794	1.1
167.14314	10.1
168.14606	0.6
169.15883	0.5
177.12717	0.8
179.14368	2.7
182.02121	2.7
195.13849	4.4
197.04518	1.0
197.15387	100.0
198.15733	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	198.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88255	0.6
70.66201	2.0
79.05399	13.9
82.95491	0.5
86.51612	0.7
92.04359	0.7
92.04931	2.1
131.03633	2.4
144.04414	2.4
155.06056	1.4
155.07312	24.6
156.07666	0.9
157.05249	3.6
158.06000	2.0
160.84081	3.6
162.83824	10.5
170.09659	6.1
179.07240	1.1
180.08096	22.5
181.08429	1.4
182.05948	0.7
183.06798	2.7
196.07603	1.2
197.08357	0.9
197.80753	4.7
198.09161	100.0
199.09500	6.6
207.23889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.64395	0.5
59.01245	1.3
61.98708	0.9
69.03313	1.0
69.82543	1.4
69.82939	1.5
71.04883	1.8
79.05405	2.4
83.04886	0.9
95.01257	2.1
97.06467	14.3
99.08023	4.5
109.06477	1.1
121.02831	2.7
122.03616	2.7
123.00771	9.7
125.02293	0.8
125.05966	0.7
126.90411	1.1
137.02353	0.6
137.09604	1.4
138.03119	3.1
151.11205	1.5
153.05453	2.0
153.12752	100.0
154.13098	5.7
155.07271	4.3
157.05162	0.7
160.84132	11.0
161.84238	0.8
162.83818	33.8
166.99767	7.8
170.06064	1.1
170.09659	1.4
179.10698	22.1
180.08131	3.4
180.10919	1.2
182.02118	16.5
182.05838	0.8
197.04494	6.1
197.08105	1.4
197.11757	10.4
197.15456	0.6
197.80721	17.9
198.09171	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	197.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.2
61.98687	0.8
69.03331	2.1
69.80339	1.9
79.05396	1.2
81.03303	0.3
83.04893	1.2
95.01250	1.4
96.45229	0.3
97.06464	0.4
99.08073	0.5
109.02805	0.5
109.06478	0.5
111.04356	0.4
116.92725	0.7
121.02843	1.6
123.00762	5.6
123.08039	0.3
125.02292	0.5
125.09592	0.4
126.90371	0.7
130.99051	0.3
131.03702	0.3
137.02344	0.6
138.03108	1.4
141.09099	1.3
151.11191	1.4
153.01839	0.4
153.05467	1.3
153.09114	1.6
153.12762	4.6
155.07298	1.7
160.84122	9.0
161.84152	0.9
162.83815	24.7
166.99786	3.7
169.12250	17.5
170.09558	0.4
170.12567	0.7
179.10732	1.9
180.08073	1.6
182.00571	0.7
182.02112	9.0
183.02451	0.7
196.80891	0.4
197.04536	2.7
197.11757	100.0
197.80722	13.6
198.07423	0.6
198.09183	8.7
198.12025	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	195.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	22.8
69.03342	0.4
69.32224	1.3
69.32644	1.6
83.04895	3.5
85.06465	0.8
85.08141	0.3
95.04887	0.5
97.06461	1.6
98.20525	0.6
109.06464	4.5
111.08028	0.8
121.06458	0.7
123.08037	5.0
134.07272	0.8
137.09616	5.8
139.07631	0.4
139.11180	3.4
149.09613	8.4
150.09973	0.4
150.16328	0.4
151.11163	4.0
152.11418	0.3
161.09584	0.8
163.11240	0.5
165.12749	7.4
167.14322	3.8
177.12772	5.0
179.10719	2.1
193.12234	0.6
195.13824	100.0
196.14162	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	195.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	23.9
69.50764	2.6
83.04890	3.2
85.06458	1.0
87.96626	0.4
97.06460	1.7
101.05959	0.5
109.06480	5.5
111.08031	0.9
117.70437	0.4
121.06495	1.0
123.08026	4.3
134.07294	0.7
137.09627	5.3
139.11182	3.8
149.09621	7.7
151.11169	3.6
156.92778	0.5
161.09665	0.8
163.11179	0.4
165.12750	8.3
167.14308	3.8
170.88995	0.4
177.09245	0.4
177.12761	4.6
179.10619	1.8
195.13832	100.0
196.14182	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	195.1383
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
50.93511	0.9
52.58181	0.9
57.03321	100.0
58.03653	2.3
59.01252	1.5
65.25601	1.0
69.03334	2.5
70.84444	2.0
71.01234	1.5
75.00743	7.4
82.27747	1.1
83.04893	47.8
85.06435	1.3
95.04893	1.3
97.06473	1.8
107.04903	1.3
109.06493	6.4
111.08018	1.2
120.05663	1.0
121.06503	1.8
123.08038	25.4
129.01868	1.3
134.07283	2.1
135.08049	4.4
137.09610	15.8
139.07500	1.1
139.11172	10.2
149.09625	25.8
151.11194	5.4
161.09641	2.5
165.12814	5.5
167.14282	2.2
177.12743	9.1
179.10712	5.3
193.12238	1.6
195.05080	1.5
195.13832	76.5
196.14116	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03324	0.5
59.01237	1.2
65.70472	0.3
69.03325	1.9
71.01221	0.4
81.37201	0.4
83.04887	1.1
84.43977	0.3
95.01268	1.4
95.04897	0.5
98.20585	0.8
109.02837	0.5
116.92732	0.5
121.02840	1.4
123.00758	5.4
123.04386	0.4
123.08082	0.5
124.31821	0.4
125.09657	0.7
126.90399	0.6
138.03166	1.6
140.57832	0.3
141.09099	0.9
151.11179	1.0
153.05481	1.3
153.09148	1.6
153.12759	4.4
160.84117	9.9
161.84122	1.2
162.83817	30.2
166.99759	4.5
169.12248	17.6
170.12604	0.7
178.99783	0.6
179.10608	2.2
182.02126	8.4
197.04623	2.5
197.11755	100.0
197.80722	14.5
198.03937	0.4
198.09258	0.8
198.12090	5.8
217.38284	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1383
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
55.01758	1.9
57.02234	1.2
57.03321	86.1
59.01238	2.3
61.15586	1.2
67.66359	1.2
69.03339	1.3
69.99403	6.4
71.01234	2.0
71.04885	1.4
75.00739	10.3
83.04896	41.8
85.06448	2.0
87.00767	3.2
95.04889	1.6
97.06447	1.7
109.06466	3.4
111.08026	2.5
123.08051	21.5
129.01822	4.3
134.07257	1.8
135.08057	1.4
137.02365	1.8
137.09613	15.9
137.90193	1.3
139.11165	11.7
140.11473	1.3
149.09616	22.9
150.09955	1.3
151.11182	6.4
161.09630	2.5
165.01826	2.4
165.12755	6.6
167.14354	2.7
177.12770	9.9
179.10701	5.1
180.04308	1.6
193.12228	1.5
195.03526	1.3
195.05005	7.2
195.13829	100.0
196.14241	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	195.1383
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
61.98683	0.3
63.29301	0.3
69.95065	0.3
71.17554	0.8
71.82196	0.3
85.02728	0.3
91.49122	0.3
109.06472	4.3
111.08058	3.4
122.03554	0.3
125.09615	0.6
135.11673	0.6
138.06778	0.8
139.07468	0.5
150.03004	0.3
151.11183	0.5
158.84589	0.4
160.84111	18.5
167.14328	6.8
179.10693	4.8
180.04237	0.7
180.11421	0.4
195.13828	100.0
195.81023	6.9
196.14180	5.5
211.89975	0.3
214.56390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1383
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
50.41483	0.4
57.03322	36.7
58.03660	0.6
59.01257	0.5
62.38260	0.4
62.64975	0.4
69.03327	1.1
69.60467	0.9
69.60878	2.3
74.96803	0.5
75.00736	0.8
81.91663	0.4
83.04891	19.1
85.06439	0.8
109.06477	1.3
111.08044	1.2
121.06513	0.7
123.08041	8.5
129.97530	0.4
134.07307	0.7
135.08076	1.5
137.09622	7.0
139.11163	7.6
140.11505	0.5
149.09627	9.3
151.11192	3.5
157.21590	0.6
161.09630	1.1
165.12753	6.3
167.14357	2.3
177.12781	6.1
179.10689	3.2
186.36168	0.5
193.12253	0.9
195.13826	100.0
196.14186	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	193.1227
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
57.03321	100.0
58.03654	1.3
60.97121	0.6
63.33314	0.6
69.03323	7.3
69.56956	4.3
70.38932	0.6
70.47734	0.5
74.67812	0.6
83.04879	1.2
93.03323	1.0
95.04893	1.0
97.06467	1.0
98.19892	1.2
105.06960	0.9
107.04888	1.4
109.06474	23.3
110.06787	0.7
121.06456	3.8
123.08049	10.8
125.09608	1.1
135.08052	27.7
136.08452	1.6
137.09618	31.0
138.09949	1.7
149.09587	1.1
150.06772	1.0
151.11188	0.9
163.11224	1.6
175.11151	1.6
178.09938	1.1
193.12260	33.8
194.12646	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	193.1226
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
52.50918	0.6
54.29199	0.5
57.03322	100.0
58.03653	1.2
67.01768	1.0
67.27473	0.5
69.03324	6.4
71.25120	1.2
83.04925	0.7
93.03336	0.9
95.04890	0.8
97.06472	0.9
105.06994	0.6
107.04918	1.2
109.06472	33.0
121.06474	3.6
123.08051	9.8
125.09614	1.3
135.08047	38.0
136.08385	1.2
137.09615	38.8
138.09920	1.2
149.09674	1.3
150.06789	0.7
151.11131	0.8
163.11214	1.7
171.01262	0.6
175.11200	1.7
178.09779	0.8
193.12267	60.4
194.12605	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	193.0498
Annotation	ferulic acid
Peak:m/z	Relative Intensity
57.03323	1.1
77.28477	0.4
89.03844	2.0
93.03340	0.7
94.60264	0.5
106.04096	0.6
109.02888	0.5
109.06441	0.9
111.00730	0.9
117.03313	2.9
121.02824	2.9
127.31125	0.5
130.42462	0.6
133.02831	4.2
134.03627	100.0
135.03960	3.9
137.02336	15.2
138.02658	0.7
139.03912	5.5
149.05984	16.9
150.03127	1.8
150.06348	0.6
161.04388	0.7
165.01892	0.5
178.02632	46.8
179.02974	1.8
193.04984	23.5
193.06816	1.1
193.12172	1.1
194.05296	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1226
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
57.03323	100.0
58.03650	0.9
59.01259	1.6
68.87750	0.7
69.03328	6.8
70.27524	2.7
71.01263	1.0
73.02826	1.0
83.04877	0.8
85.02844	1.6
101.02335	1.2
105.03693	1.3
107.04902	1.5
109.06475	26.3
110.06817	1.1
121.06498	3.6
123.08057	11.6
124.08362	0.7
125.09605	1.4
132.04330	0.6
135.08057	28.0
136.08380	1.2
137.09630	32.6
138.09937	0.9
148.82727	0.6
149.09604	1.4
151.11121	1.2
163.11261	1.8
175.11180	1.4
178.02646	1.8
178.09872	1.0
193.12279	38.0
194.12639	2.7
200.72298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1226
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
52.34073	0.6
55.01988	0.6
57.03322	100.0
58.03655	1.8
62.90597	0.6
67.01752	1.0
67.71764	0.6
69.03324	6.8
70.01347	2.5
73.02801	0.9
83.04909	0.8
86.79412	0.6
93.03284	0.7
95.04946	0.7
97.06465	1.0
107.04910	0.8
108.63683	0.6
109.05710	1.3
109.06474	27.5
120.05716	0.8
121.06451	3.5
123.08029	12.4
125.09618	1.8
134.03627	2.0
135.08049	30.9
136.08403	1.3
137.06032	0.8
137.09613	35.7
138.09978	1.1
145.20502	0.6
149.05992	0.8
149.09634	1.1
150.06729	1.2
163.11182	1.7
164.22968	0.6
175.11203	1.9
177.09091	1.0
178.02664	0.9
178.09854	1.0
193.12260	41.7
194.12624	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	191.0343
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03317	0.9
59.01240	1.7
60.22720	0.2
64.60262	0.2
67.01759	0.6
68.26363	0.2
69.03333	0.3
71.01250	1.0
72.99207	0.3
73.02807	0.6
77.03841	0.3
81.03345	0.6
81.04447	0.2
81.91644	0.2
83.04894	0.5
85.02821	14.4
86.03167	0.3
87.00747	6.7
93.03329	4.4
99.04372	0.4
101.02320	0.2
104.02558	0.7
108.02071	0.3
109.02827	0.7
111.00766	10.3
111.04385	1.0
112.01098	0.3
117.82463	0.2
119.04945	1.3
121.02840	100.0
122.03156	3.2
127.03889	2.2
129.01839	0.5
135.04407	0.3
147.00816	0.2
147.04419	6.3
148.01587	0.7
162.60358	0.2
163.03912	0.6
171.02928	0.6
173.00832	0.2
173.04491	0.9
176.01067	5.3
177.01570	0.2
191.01921	1.1
191.03505	8.1
191.05551	45.1
192.04126	0.4
192.05940	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	187.0968
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
50.00212	0.4
57.03325	3.2
59.01248	5.2
64.56037	0.3
65.01321	1.0
65.99709	0.8
67.01773	0.7
68.45943	0.3
69.03314	0.5
70.31496	1.4
71.04851	0.4
73.02811	0.9
73.56716	0.3
81.03301	0.4
83.04884	0.8
89.01286	0.3
91.02866	0.6
95.04910	1.0
97.06463	10.9
98.18475	0.3
98.20576	0.3
99.08030	1.7
111.00771	1.1
111.39560	0.4
119.02392	0.5
123.08038	6.3
124.08388	0.5
125.09607	100.0
126.09953	3.3
127.07529	0.5
130.04054	0.4
133.03952	1.1
138.65504	0.4
143.10725	2.0
144.04346	0.4
145.05066	0.7
145.08589	4.9
146.68852	0.3
160.03903	0.6
160.05060	2.8
160.09398	0.4
168.29945	0.4
169.08609	2.3
187.06235	2.5
187.09674	43.9
188.10016	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	190.0502
Annotation	6-Methoxy-1-methylisatin
Peak:m/z	Relative Intensity
50.00147	0.1
56.32557	0.1
57.03338	0.3
59.01275	0.5
65.99731	0.2
69.52911	1.1
79.51945	0.2
85.02823	3.8
87.00749	0.8
91.01788	0.3
92.04956	0.3
93.03374	0.7
101.82273	0.1
104.02552	0.2
111.00790	0.7
118.06503	0.1
119.01284	0.4
119.04918	0.3
120.04455	0.5
127.03917	0.4
131.03699	0.2
134.05983	0.2
144.04437	1.9
146.02385	2.4
146.05902	0.3
147.03177	3.6
147.04373	0.2
148.01547	0.2
148.03865	0.5
164.03481	0.2
174.01880	0.2
175.02664	100.0
176.01083	1.3
176.02988	4.5
179.02188	0.3
189.78012	0.2
190.01329	0.4
190.05011	5.5
191.01959	0.4
191.03542	0.5
191.05527	6.9
191.07007	0.2
191.10614	0.7
209.36919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1124
Annotation	6-Prenylindole
Peak:m/z	Relative Intensity
54.32535	0.2
54.52703	0.2
59.01245	0.5
61.98682	0.5
86.96614	0.2
94.02855	0.4
98.20564	0.5
108.04464	0.2
112.03917	0.3
113.02279	0.3
115.10355	0.2
116.04940	0.3
122.02362	0.3
123.55603	0.2
124.03957	0.6
129.05734	71.0
130.05295	0.3
130.06085	2.9
131.03688	0.4
140.07014	0.4
141.09097	0.7
142.06311	0.2
152.28416	0.2
158.55295	0.2
161.04732	51.9
162.05072	2.6
163.05157	0.4
181.50655	0.2
182.09674	0.5
184.11238	100.0
185.11609	7.0
190.86008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94721	0.5
58.00447	1.2
65.00194	4.3
67.01756	26.2
69.03320	0.7
69.15301	0.6
69.29122	4.7
69.29533	1.1
72.81422	0.7
73.02814	55.8
80.12775	0.7
81.03338	1.2
83.01243	1.9
97.02833	3.9
99.00755	5.3
99.04393	9.9
111.00758	100.0
112.01091	2.0
115.03884	1.7
115.24766	0.6
125.09590	3.1
143.03403	21.1
160.05040	1.9
169.01328	1.0
187.06050	1.0
187.09641	1.8
188.07121	0.9
194.19534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.024
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	1.3
65.00191	3.6
65.01312	0.8
67.01756	27.9
73.02815	56.7
83.01254	2.0
97.02821	4.1
99.00764	4.5
99.04400	10.5
107.43067	0.8
111.00759	100.0
112.01100	1.6
115.03888	2.1
125.02279	0.8
125.09614	3.5
126.63826	0.8
133.03989	1.0
143.03401	20.1
156.98952	0.9
160.05064	1.1
160.88425	0.8
169.01309	0.9
187.06161	1.2
187.09657	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	187.0238
Annotation	(E)-2-(Methoxycarbonylmethyl)butenedioate
Peak:m/z	Relative Intensity
57.90244	0.5
58.00458	1.6
65.00191	3.9
67.01757	30.1
68.02087	1.2
69.57613	3.9
73.02814	61.0
74.03165	0.9
81.03334	0.9
81.50885	0.6
83.01254	2.2
97.02837	4.3
99.00757	3.7
99.04390	10.6
111.00758	100.0
112.01073	3.2
115.03912	1.4
125.09620	0.9
138.54601	0.6
143.03397	20.4
187.09743	0.9
190.54539	0.6
207.56633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.3
59.01276	0.4
59.37097	0.3
61.98695	0.7
66.26533	0.3
70.09979	1.3
95.01274	0.8
98.19884	0.4
103.83408	0.3
105.26871	0.3
110.44058	0.3
112.98434	0.4
123.00774	0.7
142.06523	2.9
152.00592	0.3
166.06529	73.8
166.99785	0.4
167.03017	0.5
167.06892	3.4
180.08113	6.1
182.09665	100.0
183.10013	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	183.1381
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
57.03307	0.8
59.01244	0.6
69.51345	3.6
71.14604	0.5
83.01278	0.5
83.04882	0.5
86.68739	0.4
89.01365	0.5
95.17596	0.4
98.02370	0.4
111.00767	1.0
111.04422	0.6
112.03951	0.5
113.02283	0.6
121.06470	0.6
123.04404	0.8
124.01563	0.7
124.03971	0.7
139.07542	0.7
139.11220	0.4
143.04779	0.8
152.98213	1.0
156.05585	1.3
165.01796	0.6
165.05435	0.5
168.00555	2.6
168.02831	0.4
183.02910	1.0
183.06685	2.0
183.10458	3.0
183.13818	100.0
184.06116	0.7
184.07582	2.0
184.14168	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	183.1382
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
55.34901	0.2
57.03319	0.3
59.01269	0.3
70.91265	0.4
71.01247	0.2
72.82766	0.2
74.16004	0.2
77.97350	0.2
82.54365	0.2
96.19389	0.2
97.02839	0.4
111.00743	0.3
111.04390	0.2
112.03909	0.2
121.06468	0.3
124.01563	0.5
124.03894	0.2
124.98630	0.3
136.50383	0.2
139.00247	0.4
139.03860	0.3
139.07588	0.3
139.11168	0.3
143.04799	0.2
152.98196	0.5
156.05569	0.6
156.79495	0.2
157.05101	0.4
168.00598	0.8
180.86026	0.2
183.00456	0.2
183.02902	0.5
183.06560	1.0
183.13820	100.0
184.06160	0.3
184.14153	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	177.0912
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
50.94658	0.5
57.03323	0.7
57.40067	0.4
59.01237	1.0
68.49895	0.5
69.03328	9.4
70.49986	1.2
70.50380	0.9
95.01260	1.2
95.04902	1.8
98.17182	0.5
105.07000	0.7
107.04908	2.0
109.06465	1.1
119.04917	0.7
121.06492	14.9
123.08036	0.4
131.20792	0.5
133.02824	0.6
133.05507	0.6
133.06488	8.5
135.08049	11.3
143.04924	0.6
149.09615	1.7
150.64331	0.6
159.08076	5.4
161.05983	12.6
162.03111	1.6
162.06664	0.8
177.01826	1.0
177.09128	100.0
178.09473	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	177.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78151	0.8
57.01819	0.8
57.03313	1.6
59.01242	2.6
62.87619	0.8
69.03322	10.9
69.31094	0.8
71.01249	2.2
71.07735	1.7
75.00728	2.5
81.03356	1.2
83.04878	0.9
84.02690	0.9
85.02821	1.3
87.00751	1.1
91.24706	1.0
93.03358	1.5
95.01280	2.1
95.04897	3.3
105.03380	0.9
105.06969	1.9
106.04052	1.3
107.04916	2.9
117.07092	0.9
119.04930	1.1
121.02882	1.4
121.06485	14.4
129.01814	1.1
133.02853	3.5
133.06482	12.0
134.03600	1.1
135.08049	12.7
149.02380	0.9
149.09660	1.8
154.51402	0.9
158.63431	0.9
159.08086	6.1
161.05986	23.9
162.03133	12.4
162.06546	1.3
173.32156	0.9
177.01871	7.7
177.05510	3.8
177.09125	100.0
178.09454	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	179.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61185	0.2
57.03324	0.3
57.89230	0.3
59.01254	3.4
63.02268	1.6
64.31599	0.3
65.00182	1.1
65.99724	0.3
69.03324	1.1
71.01248	5.3
71.52439	0.6
72.99180	0.4
73.02808	2.0
75.00756	0.4
81.03345	0.5
81.37914	0.3
83.01251	2.0
83.02380	0.3
83.55514	0.3
85.02823	3.5
87.00747	18.7
89.02316	1.1
89.03837	0.3
91.05389	0.6
93.03336	0.6
95.01284	0.5
97.02831	1.5
99.00751	4.7
101.02325	1.9
106.04092	0.4
107.01260	2.3
107.04888	3.5
109.02855	0.8
109.03988	0.5
113.02344	0.7
115.44988	0.3
117.01833	3.1
117.03346	0.6
118.03941	0.3
121.02775	0.7
123.00746	0.5
123.04430	0.4
125.02320	2.7
129.01878	0.4
134.03627	6.5
135.04411	100.0
136.01546	0.5
136.04756	4.3
137.02393	0.4
141.01822	1.5
149.02330	0.3
151.00252	3.5
151.03934	1.2
151.07564	0.3
159.02885	1.0
161.04457	12.0
164.01071	1.0
164.04718	0.4
169.01353	0.9
177.03967	0.5
178.99898	1.6
179.03423	16.6
179.05525	13.1
179.07047	1.1
179.10689	0.6
180.03772	0.9
180.06377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0341
Annotation	Caffeic Acid
Peak:m/z	Relative Intensity
53.49124	0.4
55.24384	0.4
57.03300	0.5
59.01237	1.7
61.76958	0.4
62.13441	0.4
62.32476	0.4
63.02262	1.2
65.00198	0.5
68.86677	0.5
69.03323	0.6
69.65913	0.8
69.66319	2.3
71.01258	3.3
72.99194	0.5
73.02808	1.6
75.00730	0.5
81.03313	0.6
83.01282	0.9
83.47247	0.4
85.02824	3.7
87.00748	12.0
89.02318	0.9
89.03799	0.4
91.05414	3.0
93.03333	1.6
95.00706	0.4
95.01292	1.3
97.02808	1.2
99.00748	3.3
101.02297	1.3
106.04131	0.7
106.57067	0.4
107.01267	1.0
107.04921	5.2
108.02074	3.4
109.02856	7.8
113.02335	0.6
117.01825	2.1
117.03349	1.6
123.00726	0.6
123.04435	0.5
125.02351	1.9
129.01855	0.6
133.02859	0.6
134.03639	12.3
135.02675	5.1
135.04411	100.0
136.04758	4.5
141.01822	0.9
151.00266	2.0
151.03944	0.6
161.04471	6.1
178.99844	0.9
179.01840	0.9
179.03423	16.3
179.05522	8.7
179.06934	0.6
180.03813	0.7
180.06201	0.5
182.82535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0083
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00189	1.5
55.01757	4.4
57.03319	5.6
58.00434	1.5
58.02829	1.6
59.01243	7.7
60.99175	2.5
63.18241	0.7
65.03822	1.0
67.01760	20.1
68.99680	3.1
69.03316	5.5
71.01249	58.3
71.04892	1.4
71.51756	0.9
72.01595	1.5
72.99174	8.1
73.02820	17.9
81.03310	4.1
83.01250	9.1
83.04895	8.6
85.02814	11.9
85.05975	1.4
85.06451	10.5
87.00736	6.8
93.03329	100.0
94.03653	3.0
96.99154	1.8
99.00748	20.2
99.04392	4.8
100.07516	1.7
101.02318	2.2
109.02836	2.7
109.06466	1.0
111.00757	44.8
111.03632	1.2
111.04398	22.5
111.08026	1.5
112.01122	1.2
112.04741	1.1
112.98689	20.4
115.00220	2.3
124.98686	16.7
127.03923	1.1
128.07050	2.5
129.01788	3.8
129.05455	2.2
137.02322	6.2
140.98207	0.8
142.99756	34.3
144.00055	1.0
153.33406	0.7
154.99745	6.5
155.03403	8.8
173.00935	7.3
173.04463	82.1
173.08051	2.3
174.04823	2.1
174.07607	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	173.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00197	0.2
55.01756	1.6
57.03048	0.3
57.03323	4.0
58.00461	0.8
58.02845	3.0
59.01247	4.3
60.99165	2.4
65.03829	0.9
67.01756	19.1
68.02093	0.4
68.99685	1.4
69.03323	5.1
71.01250	25.2
71.04876	0.7
71.51385	0.3
72.01573	0.4
72.99176	2.5
73.02814	12.6
74.02348	0.2
75.00710	0.2
80.99665	0.2
81.03324	4.0
83.01245	2.8
83.04893	7.0
84.02071	0.2
84.05231	0.3
84.98341	0.2
85.02820	8.1
85.06451	0.6
86.03134	0.2
86.05969	0.9
87.00741	3.0
88.03904	1.6
93.03329	100.0
94.03662	3.1
95.01243	0.6
96.02045	0.2
96.99184	0.7
97.02834	0.5
99.00759	7.3
99.04389	4.3
100.07545	3.1
101.02307	1.2
101.05901	0.3
101.07890	0.2
108.02057	0.5
109.02827	3.1
111.00758	13.5
111.04395	19.5
111.08010	1.2
112.01117	0.3
112.04723	0.5
112.98689	4.3
113.02300	1.4
114.05482	0.3
115.00285	1.2
115.03919	0.5
124.98678	3.3
127.03838	1.0
128.07057	5.7
129.01816	2.0
129.05469	0.7
131.08168	0.3
132.06549	0.9
136.14273	0.2
137.02330	6.9
138.02657	0.3
142.99753	6.8
143.03368	0.9
145.02913	0.4
154.99751	1.3
155.03392	7.4
155.04491	0.3
156.03749	0.4
173.00818	1.6
173.04462	71.0
174.01714	0.2
174.04837	2.9
174.07603	4.9
188.54517	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17675	0.3
54.47647	0.3
60.99157	0.3
67.01759	5.7
69.03327	0.3
71.01245	0.9
71.17050	0.3
71.36987	0.3
71.39253	0.6
72.99178	5.2
73.02821	2.7
81.03323	0.4
83.01252	5.0
83.04901	0.8
85.02823	17.7
93.03331	10.0
94.03690	0.4
99.00760	3.3
99.04410	0.5
101.02311	3.7
111.00762	100.0
111.04395	2.1
112.01089	2.8
119.02400	0.4
121.70526	0.3
129.01843	3.6
137.02324	1.0
146.03502	0.5
154.99765	11.9
155.03365	0.4
156.00133	0.4
173.00835	4.9
173.04539	1.3
173.08176	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0971
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
57.03331	0.3
58.02850	1.2
60.99200	0.4
61.46304	0.2
67.01759	1.4
69.03334	0.3
69.59109	1.7
71.01262	0.5
73.02814	1.8
78.97230	0.2
81.03320	0.4
82.06491	0.6
83.04906	0.7
85.02819	0.4
88.31580	0.2
93.03329	8.5
93.30107	0.2
99.00781	0.5
99.04398	0.5
109.51727	0.3
111.00735	0.3
111.04398	1.6
111.08061	0.4
121.48025	0.2
124.52368	0.2
127.07562	0.4
128.10716	2.5
129.01822	0.2
130.08627	100.0
130.26541	0.2
131.08968	3.3
134.92201	0.2
137.02333	0.6
144.04433	0.5
155.03409	0.2
172.03926	0.3
172.09702	12.5
173.04497	2.2
173.08054	0.3
173.10036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0291
Annotation	5-Methylmaleylacetate
Peak:m/z	Relative Intensity
55.01744	0.9
59.01254	2.3
64.41228	1.0
65.03834	8.7
66.03355	13.8
67.01766	4.7
68.01304	1.8
68.99677	5.2
69.03319	8.3
71.01251	18.8
71.04891	2.1
71.51382	1.6
72.99177	8.3
76.18580	0.8
78.95769	11.1
80.99716	1.6
81.03333	22.4
81.55025	0.9
82.02857	3.0
83.01254	2.1
83.04894	2.0
85.02824	3.4
87.00748	20.0
95.01263	1.8
96.95889	4.3
96.96831	1.3
96.99189	1.7
97.02824	2.7
97.86349	0.8
99.00764	7.0
99.04395	5.0
100.03916	1.3
108.02026	7.2
109.02836	100.0
110.02370	25.1
110.03171	3.4
111.00756	3.1
112.00272	4.8
113.02328	2.0
124.98717	4.7
125.02317	5.1
127.00265	1.4
127.03903	67.6
127.07575	1.2
127.11174	1.6
128.04239	2.1
128.07118	0.9
128.89960	3.3
140.06485	0.8
140.98198	1.1
141.01834	1.0
142.99763	2.8
143.03386	1.4
152.98154	5.4
153.01863	4.1
153.09013	1.0
170.83281	2.0
170.88342	2.2
170.91080	1.2
170.99321	5.8
171.01817	3.1
171.03076	10.2
171.10173	18.0
171.13829	3.7
172.02408	7.7
174.39674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01607	0.4
53.50081	0.4
58.02846	100.0
59.03183	1.0
65.00200	0.6
69.17620	1.4
69.18040	3.5
74.67529	0.5
84.39616	0.4
86.82064	0.4
88.00027	0.4
97.02847	1.0
98.20335	2.2
98.69252	0.5
122.89343	0.8
125.02325	5.6
125.05984	0.7
151.11217	0.4
152.73062	0.4
153.01408	0.6
168.13824	7.4
169.01332	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	169.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70218	0.6
65.00194	67.8
66.00546	1.2
71.11219	1.2
72.78624	0.6
83.37159	0.5
84.13229	0.5
85.88260	0.5
90.29735	0.6
97.02825	100.0
98.03171	2.1
99.00784	0.6
122.52708	0.7
125.02312	1.1
127.37247	0.6
132.97456	0.5
136.98711	7.1
169.01328	29.6
170.01646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	7.6
58.02839	1.0
59.01260	1.7
61.66328	0.9
62.86627	0.9
65.00198	5.5
65.73160	1.1
65.83817	1.3
69.03323	6.6
71.01256	4.0
71.04887	1.4
71.52521	1.5
75.19230	1.1
75.61656	1.1
81.03312	1.4
81.69546	1.1
83.04893	5.4
85.02806	1.2
85.06460	100.0
86.06780	1.7
86.43426	1.3
94.04122	2.5
95.04899	16.3
95.89745	1.1
97.02829	15.3
97.06465	2.6
98.03610	16.9
99.00831	1.2
99.08031	32.6
100.08363	1.5
107.04929	1.6
108.02028	1.7
109.02866	1.1
109.06462	2.1
110.02384	1.9
111.04414	6.9
111.48790	1.1
113.05963	9.5
119.21920	0.9
123.04340	1.1
123.08015	2.4
125.02319	3.9
125.05933	1.9
125.09594	6.0
125.99441	1.4
135.08046	13.0
140.03474	1.2
141.12759	2.4
142.03987	1.8
143.03465	1.1
144.81975	1.1
151.11180	39.7
152.11516	2.1
153.09169	2.6
153.99028	2.0
154.09882	5.5
167.10660	5.9
168.98062	1.2
169.01375	8.7
169.04985	3.6
169.08603	2.3
169.12250	54.5
170.04622	1.4
170.12573	3.2
181.36632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44667	0.7
57.03306	2.1
57.99026	0.7
69.03313	1.1
69.51611	0.6
71.31883	1.3
71.59531	0.6
81.03315	0.9
83.04907	6.3
93.03357	1.4
95.01273	1.7
96.02033	0.8
101.26608	0.7
106.50764	0.8
108.02057	3.5
109.02809	0.8
111.04400	100.0
112.04590	0.8
112.05242	1.6
119.05638	0.6
123.04415	1.7
123.08044	7.4
125.05967	9.4
125.09605	1.1
134.07254	3.7
138.06763	0.7
149.09627	24.6
150.09966	1.1
152.01053	6.7
152.08311	2.3
167.03450	2.0
167.07068	2.7
167.10678	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	167.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
55.69699	0.4
57.03316	1.6
67.01784	0.7
69.03317	1.4
69.33997	4.1
80.02605	0.5
81.03328	0.9
83.01225	0.5
83.04900	6.8
91.01772	1.1
93.03342	1.9
95.01273	3.0
95.04883	1.0
96.02055	0.7
97.02820	1.2
98.02331	0.5
106.22297	0.5
107.04930	0.9
108.02046	8.8
109.02857	1.0
109.06484	0.6
111.00748	1.0
111.04400	100.0
112.04720	1.9
112.05283	1.4
121.06464	0.5
123.00755	1.5
123.04412	6.7
123.08041	8.0
124.01546	1.2
124.05188	0.9
125.02325	1.5
125.05974	9.1
125.09601	1.0
131.57387	0.4
133.06528	0.5
134.07275	3.3
137.02292	0.6
137.99487	0.7
139.03937	1.1
139.07518	0.9
149.09621	23.7
150.09946	1.6
152.01056	21.1
152.08348	2.6
153.01756	1.8
167.03400	6.3
167.07076	5.6
167.10686	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62195	0.4
53.84471	0.4
55.44477	0.4
55.95262	0.4
59.01248	1.1
65.01308	1.0
65.99718	0.8
67.01751	0.5
69.41373	2.4
69.41778	1.1
71.01250	1.6
72.99175	32.2
73.99507	0.6
75.00735	1.2
77.03828	1.0
82.03949	0.8
83.01289	0.4
85.02834	0.5
87.00748	1.4
89.02316	0.5
91.05407	0.9
92.99673	1.1
93.03329	11.4
94.02865	0.4
94.03626	0.4
95.01255	0.6
95.02394	0.9
95.04853	0.6
96.00800	0.5
97.03933	0.8
98.19767	0.7
101.02328	0.7
101.03838	1.7
105.01824	1.1
106.04094	0.6
108.02022	0.9
109.02847	0.9
114.95140	0.4
117.03316	1.0
119.04909	62.8
120.05238	2.9
121.02839	16.8
121.06486	2.2
122.03600	0.8
123.00761	1.2
123.01913	0.5
123.04408	1.5
124.05057	0.7
135.04456	0.6
137.02345	2.8
137.05948	1.5
138.02989	0.7
147.04408	100.0
148.04758	5.7
149.05948	0.9
150.03119	4.4
151.00269	1.7
165.01865	3.0
165.04198	1.5
165.05469	37.7
165.09097	4.2
166.05850	1.8
182.93327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62095	0.4
57.46012	0.3
59.01247	2.9
60.05795	0.3
65.01316	0.5
65.99704	0.6
71.01234	1.7
72.99172	1.1
73.02823	0.4
75.00740	0.9
77.03823	0.4
81.04424	0.4
82.03964	0.5
83.04893	0.8
85.02816	0.4
87.00768	0.5
89.02342	0.5
91.01747	0.8
92.02497	0.5
92.99684	0.8
93.03328	63.4
94.02858	0.5
94.03666	2.5
95.01257	0.9
95.04890	0.6
97.03946	0.4
98.02351	0.4
98.19773	1.0
101.02316	0.4
105.01823	0.8
106.04122	1.2
107.02419	0.4
107.04897	0.4
108.02029	2.6
109.02832	1.1
110.03412	0.3
119.04907	100.0
120.05239	4.9
121.02835	52.3
121.06467	5.2
122.03094	2.1
123.00765	0.9
123.01846	0.3
123.04430	1.9
124.03935	0.4
124.05006	0.6
135.04381	0.8
137.02345	1.6
137.05975	7.2
138.03000	0.5
138.05435	0.4
146.03632	2.0
147.04411	45.9
148.04773	3.2
149.00883	0.4
149.02310	0.8
150.03131	3.8
150.99088	0.3
151.00267	1.8
163.03868	0.8
165.01785	1.8
165.05469	82.0
166.05853	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	164.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99582	1.0
59.01245	5.2
65.01308	1.2
65.99715	1.7
69.34721	6.8
72.00777	43.7
74.61524	0.8
79.34707	0.8
89.53965	0.9
91.05384	1.0
93.03336	3.0
96.00742	0.9
103.05409	1.7
106.04048	0.9
108.02118	1.0
113.31272	1.2
118.06521	1.3
119.04897	2.7
120.05230	1.5
121.02864	4.6
134.03491	0.9
137.02408	1.4
146.06012	0.9
147.04420	100.0
148.04765	6.2
150.03191	1.1
164.07080	63.1
165.01851	0.9
165.05453	2.5
165.07428	3.1
173.14958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13085	0.6
54.28184	0.6
57.43945	0.6
59.01255	1.5
65.01313	1.4
69.03312	3.4
71.01262	1.6
72.99180	1.9
73.02816	0.9
75.00748	1.6
76.04040	0.6
79.01811	0.7
81.03349	0.7
87.00761	1.2
91.01753	0.9
93.03329	35.3
95.01292	1.5
95.02416	1.0
95.04911	0.7
97.02829	1.3
97.03915	1.0
105.01852	1.8
106.04117	0.9
107.01277	2.2
108.02020	2.0
109.02835	2.0
110.66965	0.7
110.87855	0.7
119.04913	100.0
120.05274	4.6
121.01960	1.5
121.02843	32.0
121.06485	5.6
122.03288	1.0
123.00747	1.6
123.04395	2.3
123.06593	0.7
125.02342	4.3
135.04414	0.7
137.02345	4.1
137.05991	6.2
146.03630	3.5
147.04419	39.9
148.04781	1.9
150.03139	5.3
151.00281	4.7
165.01810	4.4
165.05473	47.1
165.09100	1.5
166.02687	3.2
166.05870	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88059	0.6
59.01247	1.7
65.00195	0.7
65.01311	0.9
65.99722	0.9
67.01750	0.8
67.02901	0.7
69.51294	4.5
71.01250	1.9
72.99178	33.1
73.02791	0.9
73.87926	0.6
75.00744	1.3
77.03844	0.6
80.40517	0.5
81.64856	0.5
82.03989	0.7
85.02805	0.5
87.00754	1.6
91.01764	0.6
91.05437	1.2
92.99691	0.7
93.03330	9.8
93.75143	0.5
94.02884	0.9
95.01271	0.9
95.02368	1.1
95.98766	0.6
97.03992	0.9
98.04468	0.5
101.02355	0.9
101.03850	1.8
105.01834	1.4
109.02856	1.9
109.03913	0.7
117.03292	1.2
119.04910	59.4
120.05247	2.9
121.02839	17.1
121.06478	2.2
122.03598	1.5
123.00765	1.2
123.03047	0.7
123.04441	1.3
124.05040	1.1
137.02313	2.7
137.05974	2.1
138.03000	0.9
146.03630	0.8
147.04413	100.0
148.04749	6.8
149.00883	0.7
150.03130	5.1
151.00304	2.5
164.89551	1.0
165.01805	2.9
165.04111	1.3
165.05475	39.3
165.09125	2.5
166.02582	1.2
166.05881	2.0
168.06514	0.5
173.26399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.5
65.00285	0.8
70.08029	2.5
71.01248	3.6
72.00777	37.3
73.02814	1.7
75.00739	1.0
81.00475	0.8
87.00776	1.1
89.02336	1.1
89.58955	0.8
91.01778	1.0
91.05425	1.3
92.04912	1.2
93.03342	3.5
101.02322	1.9
105.01814	1.1
108.04440	1.1
109.02818	1.1
118.06419	1.0
119.04917	3.3
120.04505	1.5
120.05231	5.0
121.02865	5.4
123.04449	1.0
132.63327	0.8
136.03893	1.6
137.02296	2.4
140.34300	0.9
147.04417	100.0
148.04800	4.7
150.03122	3.8
164.00990	1.1
164.03357	1.4
164.07089	45.1
165.01837	3.0
165.04129	1.6
165.05386	4.3
165.07544	3.9
165.09045	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	164.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83387	0.5
53.15623	0.5
54.33879	0.4
63.36216	0.5
69.47235	1.5
69.47668	2.2
71.01270	0.5
71.23874	0.5
72.00774	38.0
75.00717	0.6
91.05406	2.0
92.05020	0.5
93.03355	1.0
103.05402	1.2
106.04066	0.5
108.81772	0.5
118.06503	1.0
119.04913	2.1
120.04478	1.1
120.05283	1.1
121.02826	2.1
122.03516	0.6
137.03442	1.0
139.13863	0.5
140.99979	0.5
147.04416	100.0
148.04764	4.6
148.21320	0.5
150.03111	0.9
164.07077	48.3
165.05469	1.1
165.07393	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	163.112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.1
58.99465	2.9
59.01237	2.5
65.00184	1.1
65.01311	2.1
65.99712	1.6
66.03371	0.9
69.18346	2.3
69.18764	6.0
71.01254	1.5
72.00768	1.0
73.02825	1.1
74.98940	1.0
79.91244	0.7
82.03973	2.3
83.01221	0.7
85.02856	1.0
89.26474	0.6
91.01789	3.8
91.02894	0.8
92.04942	1.4
93.03339	5.9
93.07000	1.0
94.02905	0.9
96.85163	0.9
98.19773	1.7
101.02318	3.1
102.98480	3.9
106.03981	1.1
107.04910	2.5
108.02026	0.9
109.03954	0.8
119.01241	2.0
119.04916	55.5
120.04410	2.6
120.05317	2.9
121.02811	2.1
121.03918	1.5
121.05079	5.6
121.06478	2.7
122.03581	1.8
123.08012	0.9
124.02626	0.7
129.29381	0.7
130.38400	0.7
133.06468	1.1
134.03545	0.9
135.00771	1.8
135.04417	3.5
135.08054	2.3
136.03922	1.0
136.05080	2.1
145.10110	1.6
146.03575	1.0
147.04428	2.2
147.08066	5.5
148.01472	0.8
148.08850	7.2
161.09651	1.1
163.00278	9.1
163.03880	8.3
163.06104	3.5
163.07533	2.9
163.11198	100.0
164.04549	2.4
164.07059	2.1
164.08331	0.9
164.11545	6.1
181.10291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0813
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
53.74332	0.8
55.01740	3.0
57.03315	1.1
57.22247	0.6
58.02838	2.0
59.01236	2.8
66.43828	0.6
68.99694	1.1
69.03301	1.2
71.01247	4.5
71.04848	0.8
71.51750	0.7
72.99174	0.9
73.02807	3.6
75.00705	0.7
83.01243	1.1
85.02804	2.0
86.05973	4.5
87.00752	2.7
96.04418	5.4
97.02840	2.0
97.06460	2.0
99.00741	3.8
101.02319	2.4
111.00768	3.1
112.03909	4.4
113.02326	1.3
114.06238	0.7
114.09140	5.5
116.07052	100.0
117.07407	3.1
129.01819	2.3
130.06496	1.1
141.01820	1.1
154.87936	0.7
158.04611	1.5
158.06006	2.1
158.08105	15.9
158.89207	1.8
159.02876	6.7
159.06610	1.6
159.10170	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	163.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58006	0.2
53.55664	0.2
63.05682	0.2
66.52560	0.2
69.58244	1.4
79.88477	0.2
93.03341	2.0
119.04912	100.0
120.05248	4.6
152.99518	0.2
163.03906	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	163.0391
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
69.71040	1.2
69.71442	0.5
93.03317	1.3
119.04911	100.0
120.05231	4.2
131.08023	0.3
134.54953	0.3
163.03914	9.2
164.04243	0.3
176.04419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.6
57.03325	0.4
59.01249	0.4
61.17609	0.4
65.01310	1.0
65.99698	0.5
69.52959	2.6
71.97055	0.4
72.00762	0.4
74.99006	0.4
85.02797	0.4
91.01762	1.8
91.05415	0.5
93.03334	1.0
93.06952	0.6
95.01237	0.3
98.19862	0.7
101.02315	0.8
107.04899	2.1
108.02069	0.5
119.01270	0.7
119.04914	15.8
120.05361	0.4
121.02798	0.6
121.03934	0.3
121.05112	2.0
121.06500	1.6
121.10135	0.4
122.03592	1.4
123.08039	1.5
133.06479	0.9
134.03612	0.5
134.07254	0.8
135.00749	0.6
135.04433	1.0
135.08037	1.8
136.04010	0.4
136.05122	1.3
145.01422	0.4
145.10117	1.8
147.04382	0.8
147.08064	3.7
148.05173	0.7
148.08844	10.2
161.09650	1.5
163.00279	2.5
163.03949	2.5
163.07547	1.8
163.11192	100.0
164.04546	0.7
164.07010	0.7
164.11537	6.2
164.72548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25041	0.4
55.08094	0.4
55.36307	0.4
55.96214	0.4
56.85878	0.3
57.03322	4.4
59.01262	0.5
60.42908	0.5
65.01321	4.2
69.36067	3.9
71.01226	0.5
72.99176	1.4
80.14563	0.5
83.01302	0.4
83.52521	0.4
87.00763	0.5
89.01334	1.9
90.00864	0.6
91.02872	1.0
92.02416	0.4
92.96552	0.4
93.06983	0.6
97.05760	0.4
106.03991	0.9
109.06443	0.8
111.08035	100.0
112.08376	3.6
115.02907	2.1
116.02428	0.7
127.00269	0.7
130.03996	7.7
130.06502	0.5
131.03525	1.3
133.04869	0.4
139.07538	3.7
155.07050	1.5
157.05109	6.2
157.08601	61.0
158.03485	1.7
158.04628	0.6
158.05894	0.7
158.08928	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	153.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.6
58.41308	0.5
63.99513	0.5
65.00180	1.0
65.46446	0.5
66.03345	1.9
67.03698	0.9
68.69942	0.4
68.99671	0.9
69.03315	2.3
69.87046	3.0
70.97110	0.5
71.04883	1.3
72.99182	0.6
81.03323	4.5
82.02860	1.4
83.01263	1.4
83.04912	0.9
85.02808	0.6
88.19071	0.6
91.01762	1.1
95.01263	0.9
95.04890	0.7
97.02834	0.6
97.06466	11.6
98.06776	0.6
99.08027	3.3
107.04912	0.7
108.02051	8.4
109.02834	100.0
109.06481	1.9
109.99970	6.0
110.03146	5.9
111.04408	0.9
111.08054	0.9
112.03922	0.6
123.00743	1.0
123.04443	3.5
124.01544	0.8
124.03950	2.9
124.98725	0.6
125.02350	4.3
125.09656	1.0
135.04425	0.8
136.00237	0.6
136.03947	1.7
137.09639	1.2
137.99492	5.0
138.03123	0.8
139.02682	0.6
151.00282	1.5
151.11194	1.6
153.01846	25.5
153.05460	3.9
153.12756	36.9
153.86758	13.9
154.02240	1.5
154.04938	2.3
154.13118	1.8
171.13799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.8
67.94105	1.7
69.03326	3.7
70.50288	6.0
78.27022	1.6
81.03320	3.0
82.02830	2.0
83.04879	2.0
95.04913	6.9
97.02850	8.5
108.02061	4.9
109.02831	49.3
109.06499	10.9
109.99981	12.7
110.03125	2.6
111.04404	6.9
122.03587	3.1
123.04376	1.8
123.08023	7.3
125.02321	4.7
125.05967	2.9
135.08043	5.9
136.05199	6.7
137.99455	7.3
138.06758	100.0
139.07104	4.1
151.00194	2.3
151.11247	2.3
153.01825	21.9
153.05476	9.2
153.09106	34.4
153.12680	4.2
154.09390	2.9
158.61545	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	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10454	1.6
57.03323	18.3
59.01236	2.9
65.03845	2.1
65.99703	2.2
66.03340	2.0
67.14416	1.7
68.99659	4.4
69.03316	5.8
69.94002	7.1
71.01244	19.7
72.02032	24.7
80.02543	2.0
81.03318	6.4
81.06963	53.1
82.02857	3.9
83.02370	2.0
83.04904	10.8
83.81654	1.8
85.02824	14.7
89.02340	3.4
93.03312	4.5
95.01255	13.6
95.04908	3.1
96.02042	5.8
97.02829	12.4
97.06459	2.2
98.02993	4.0
98.03609	48.5
107.04892	6.3
107.08525	2.7
108.02034	10.9
109.02834	100.0
109.06468	12.8
109.99985	11.9
110.03152	7.0
111.01897	2.8
111.04379	2.2
111.08064	10.2
111.18513	2.0
120.05673	10.5
123.04355	3.1
123.08059	11.7
124.03966	3.2
125.02316	6.7
125.03458	1.7
125.05955	3.2
125.09619	16.1
133.06528	2.0
135.04512	3.1
135.08043	35.2
136.08400	2.5
137.99460	12.3
138.06775	19.1
139.07170	1.9
151.00317	1.9
153.01823	31.2
153.05482	7.6
153.09111	79.6
153.12788	4.9
154.05008	3.5
154.09462	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	153.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02843	1.2
61.88499	1.2
63.77737	1.3
66.03359	2.9
68.01273	1.6
68.99688	1.5
69.03330	3.1
71.52174	1.7
72.99178	2.6
81.03322	5.9
82.02836	3.3
83.02371	1.3
83.04877	1.3
89.02320	2.1
91.01787	1.3
95.01247	2.6
95.04886	9.0
96.30125	1.3
96.99193	1.5
97.02813	12.0
98.02354	1.4
107.04904	1.7
108.02056	7.9
109.02832	94.8
109.06476	11.3
109.99974	16.8
110.03168	4.1
110.06038	1.2
111.00751	2.2
111.01870	1.4
111.04415	5.4
116.04398	1.2
117.61853	1.3
122.03615	5.0
123.00761	2.0
123.04407	4.6
123.05244	1.5
123.08029	6.1
124.01627	1.5
124.03925	5.5
125.02351	8.1
125.03117	1.4
125.05977	3.7
135.04424	2.2
135.08034	4.5
136.05188	4.6
137.99481	13.3
138.01971	1.6
138.03136	2.1
138.06757	100.0
139.00273	1.9
139.02699	1.3
139.07072	6.0
145.07141	1.4
147.74380	1.1
151.00185	2.7
151.07484	1.5
151.11182	2.5
153.01840	37.3
153.02982	2.6
153.05489	13.2
153.09114	36.8
153.12712	6.7
154.04982	4.0
164.67146	1.3
171.13834	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	149.0962
Annotation	Carvacrol
Peak:m/z	Relative Intensity
54.55277	1.4
55.63213	1.1
56.91568	1.2
59.01261	1.5
65.01312	2.3
71.01242	1.3
71.52050	1.3
71.52515	1.3
72.39167	1.3
79.05379	1.5
83.04909	1.7
88.75401	1.3
89.02322	4.4
92.08022	1.2
93.03310	3.2
94.04108	3.3
98.10098	1.3
99.11771	1.3
106.04027	1.8
107.04887	3.1
107.08544	1.8
108.02035	1.6
121.02835	16.1
121.06487	3.3
133.06493	11.0
134.03601	1.6
134.07257	13.5
135.07591	2.1
138.90828	1.2
147.08131	1.5
149.02414	6.5
149.03415	2.4
149.04535	2.5
149.05945	6.3
149.09619	100.0
150.00056	1.8
150.02965	3.2
150.05417	2.1
150.09949	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	150.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89451	1.2
56.14914	0.9
65.01316	4.9
65.99715	2.7
67.02880	4.9
71.01253	3.2
71.53111	1.5
79.02866	1.3
81.04471	1.3
82.02855	1.1
83.02386	2.3
91.02866	1.7
92.02518	2.3
94.02889	1.4
95.01257	5.3
101.02317	1.6
106.06504	75.5
107.04935	3.0
107.06841	4.1
107.89661	1.0
108.02032	9.3
108.05555	2.7
109.03960	4.0
120.04433	2.0
121.02808	1.2
122.03589	2.4
123.00766	2.3
123.01870	2.7
123.04414	6.2
123.05384	1.5
132.05513	1.6
136.01553	44.2
150.02995	5.0
150.05510	100.0
151.03922	36.1
151.05774	5.9
151.99901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Carvacrol
Peak:m/z	Relative Intensity
50.13249	0.9
54.74530	1.0
56.56074	1.1
56.58016	0.9
56.68491	1.0
59.01239	3.5
64.21155	1.0
64.46357	1.0
65.01311	2.6
65.99707	2.7
67.02879	2.0
71.01295	1.1
71.52348	1.4
75.45335	1.0
76.48246	1.0
89.02305	2.7
93.03297	2.1
95.04871	1.5
97.53912	1.0
106.04023	1.7
107.02435	1.9
107.04906	2.4
107.08537	1.3
121.02849	6.9
121.06472	2.5
122.02306	1.1
123.01843	1.1
132.66093	1.2
133.06468	22.7
147.08041	2.1
149.02322	3.3
149.03415	1.2
149.04556	1.8
149.06032	3.0
149.09619	100.0
150.00136	1.5
150.03000	2.0
150.05479	1.5
150.09950	9.8
153.71234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03051	1.1
57.03323	19.5
59.01252	6.6
71.01221	0.9
71.04890	2.3
71.50887	0.9
71.51299	1.1
72.99171	1.9
73.02814	1.9
76.49715	0.6
83.04891	0.8
85.02824	66.8
86.03153	2.3
87.00750	100.0
88.01091	3.5
89.25750	0.6
101.02324	3.0
101.05949	3.9
103.03880	9.4
103.04477	1.0
106.50606	0.7
129.01826	12.8
130.02101	0.8
132.90903	0.6
147.02892	29.2
147.06531	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	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00214	8.6
59.01236	11.8
65.01307	39.2
65.99714	13.5
68.90796	7.8
71.01250	11.3
71.62715	8.1
73.06360	7.2
73.23968	6.6
85.02807	10.2
85.93041	7.4
92.04941	15.8
98.56927	9.6
105.04450	17.4
106.03992	16.7
119.04929	75.8
120.01954	19.1
120.04337	10.0
120.05539	10.4
121.03986	17.6
142.87265	7.8
147.01906	16.6
147.03009	26.7
147.04401	100.0
148.03978	12.8
148.05043	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00214	8.6
59.01236	11.8
65.01307	39.2
65.99714	13.5
68.90796	7.8
71.01250	11.3
71.62715	8.1
73.06360	7.2
73.23968	6.6
85.02807	10.2
85.93041	7.4
92.04941	15.8
98.56927	9.6
105.04450	17.4
106.03992	16.7
119.04929	75.8
120.01954	19.1
120.04337	10.0
120.05539	10.4
121.03986	17.6
142.87265	7.8
147.01906	16.6
147.03009	26.7
147.04401	100.0
148.03978	12.8
148.05043	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00201	18.2
59.01258	12.0
59.78831	2.1
68.99684	5.8
69.03333	3.9
71.01250	50.7
71.04926	2.1
72.01592	2.3
72.99178	4.6
73.02816	4.1
80.99710	5.1
81.03324	4.0
82.02863	5.1
83.01250	2.5
85.02803	8.0
87.00755	14.9
87.04366	5.4
96.99179	27.3
97.02815	4.6
98.20683	4.2
99.00629	2.3
99.04396	4.5
102.05480	37.8
112.98672	29.7
113.02347	2.9
115.00259	8.4
116.02437	2.2
124.98695	66.8
125.02328	7.0
125.98986	2.5
140.98209	9.9
142.99760	100.0
143.03442	14.9
143.07030	4.4
144.00061	4.7
144.04449	16.0
144.06586	5.6
158.99188	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	143.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61993	1.1
64.46494	1.3
65.64015	1.3
67.01758	17.5
67.23618	1.1
70.09328	4.0
70.09705	2.2
73.02816	100.0
74.03149	2.9
77.50507	1.0
82.00803	1.0
87.60784	1.2
99.04387	2.8
105.49075	1.2
111.00759	22.2
116.02352	1.2
143.03403	6.0
144.04384	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	143.034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62292	2.8
58.00450	3.2
59.43113	3.7
67.01751	14.9
69.64780	18.4
73.02813	100.0
78.74245	2.7
80.78732	2.5
105.59262	2.8
111.00748	17.3
122.20712	2.9
143.03397	6.3
150.14619	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	145.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00208	1.4
51.42954	0.6
64.01788	1.4
65.01319	4.0
65.99732	1.5
66.00849	1.0
70.95578	0.7
76.01728	0.7
77.01318	3.0
81.04432	0.9
83.04891	2.0
85.02818	0.8
89.01322	0.8
90.00834	1.1
91.02901	2.2
94.80779	0.7
97.06478	2.5
99.04412	0.8
99.08029	100.0
100.08352	5.3
101.05974	2.2
105.03178	1.4
105.04454	1.0
106.32639	0.7
116.02430	1.1
117.03352	1.0
117.04491	0.6
118.02889	4.2
118.03991	12.0
119.02401	5.7
119.03503	1.1
130.02750	0.8
143.07024	1.1
144.02000	1.1
144.03040	1.0
145.01396	1.2
145.02748	1.9
145.03932	1.1
145.05038	10.0
145.08606	41.6
146.02371	8.9
146.03493	5.2
146.07170	1.7
146.08934	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	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.6
65.99717	1.4
67.02887	3.0
69.18934	18.7
77.36936	1.6
81.03343	4.8
83.41481	1.4
93.03331	83.2
94.03680	3.9
95.01257	1.9
95.08547	6.4
98.20580	2.8
100.48766	1.6
108.02036	7.9
109.02798	2.4
110.02427	1.8
110.03475	1.9
119.62392	1.5
121.06474	100.0
122.06835	6.3
136.01595	2.7
137.01282	1.9
137.02344	38.2
137.06009	4.0
137.09619	89.3
138.01851	6.4
138.05518	2.2
138.09943	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	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91005	0.9
65.03815	1.3
71.51549	1.3
71.51939	1.0
77.42751	0.9
81.03321	2.0
91.64677	0.8
93.03328	100.0
94.02847	0.9
94.03651	5.9
95.01202	1.3
95.40420	1.0
108.02070	6.0
109.02846	6.1
117.94801	0.9
121.06468	17.1
122.03718	1.2
122.06873	1.3
123.00758	1.7
123.03117	2.4
128.96561	1.1
129.96979	0.9
136.00363	1.5
136.01543	2.8
137.02339	47.3
137.05952	2.3
137.09604	18.5
138.01849	6.7
138.02737	2.4
138.05513	2.2
138.09981	1.5
139.59248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0364
Annotation	imidazo[1,2-c]pyrimidin-5(1h)-one
Peak:m/z	Relative Intensity
50.00233	3.5
64.00526	2.2
64.01788	2.8
65.01318	35.5
65.99717	13.3
71.01240	5.2
71.53070	3.9
72.54052	1.8
73.02827	2.7
75.00744	7.5
79.02881	2.1
81.03337	2.3
85.02827	9.0
89.61681	2.0
90.00877	2.6
91.02895	13.0
92.01292	8.5
92.02405	18.5
93.03347	5.9
106.04037	10.3
107.02393	23.5
107.03501	16.7
107.04900	9.4
108.02044	3.8
133.02829	3.2
134.03545	100.0
134.04620	46.9
134.89317	2.0
135.01855	6.0
135.02930	3.7
135.03329	2.7
135.04431	56.1
135.05457	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	135.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	5.2
64.01774	2.9
65.01315	5.9
65.99703	10.1
69.03323	90.4
69.55532	18.2
71.01247	4.5
73.02831	3.5
73.05943	3.1
74.94259	2.7
79.05399	4.1
85.02808	13.2
92.04908	6.9
93.03328	11.9
95.04919	4.4
106.04012	20.8
107.04905	41.0
108.02023	11.4
119.04905	6.7
120.05688	9.5
129.06929	3.3
133.06485	13.7
134.03590	15.4
135.01947	4.0
135.04411	100.0
135.08047	49.0
136.01527	11.9
136.03870	8.1
136.04984	14.7
148.79008	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	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.7
59.01244	1.7
66.52613	0.2
69.50456	0.2
69.69287	0.5
69.69697	0.8
71.01252	77.2
72.01590	2.5
72.99180	19.5
73.99514	0.5
75.00750	0.3
85.02807	0.3
87.00759	1.7
87.04384	1.5
89.02313	8.2
92.02424	0.4
98.20590	0.4
107.03536	1.1
115.00256	100.0
116.00595	4.1
133.01321	22.5
133.04936	1.6
133.06422	0.3
134.01611	1.0
134.03590	0.5
134.04602	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	131.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00220	1.3
52.47631	0.6
57.03327	5.2
58.31793	0.8
59.01242	2.0
64.01804	0.8
65.01317	8.0
65.99722	1.1
67.02882	3.3
69.03329	6.5
70.54612	2.1
71.01245	3.4
72.24875	0.6
72.99181	1.2
73.02815	5.8
73.80591	0.6
75.00748	1.6
77.01310	1.6
81.04469	0.9
83.96152	0.7
85.02819	18.7
85.06457	100.0
86.06807	4.7
87.04376	3.9
89.01327	4.3
90.00853	1.6
90.03335	0.7
91.02879	5.2
95.06503	0.7
101.02306	0.7
104.02422	1.4
104.94754	0.6
105.04421	1.6
113.02304	1.6
113.05943	1.4
119.25265	0.6
129.05420	1.1
130.02731	1.0
131.01144	1.0
131.03508	32.5
131.04333	1.8
131.07028	39.7
132.01912	1.8
132.03871	1.4
132.05551	4.9
132.07372	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	131.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00226	1.1
55.01752	1.4
57.03320	7.1
58.00473	0.8
58.76652	0.6
59.01245	3.0
64.01781	1.0
65.01316	10.0
65.99709	1.7
66.01640	1.8
67.02882	5.1
69.03324	9.0
71.01249	5.7
71.51715	0.8
72.99170	2.2
73.02817	8.6
75.00729	2.8
75.11892	0.5
77.01337	3.2
80.03446	0.6
81.04449	1.9
83.01214	0.7
85.02819	31.2
85.06455	100.0
86.03167	1.1
86.06794	4.1
87.04384	5.8
88.03923	0.8
89.01329	10.1
90.00842	2.0
90.01638	1.3
90.67448	0.6
91.02889	6.9
101.02307	1.3
104.02412	3.0
105.04463	3.7
110.35835	0.6
113.02331	2.1
113.05956	1.2
129.05438	1.4
130.02774	2.6
131.03505	52.8
131.04326	3.5
131.07027	41.6
131.08522	0.6
131.09004	0.6
132.01917	2.5
132.02875	0.6
132.03851	2.1
132.05530	8.1
132.07352	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32024	4.8
55.01753	11.5
57.03328	44.4
58.02848	5.8
59.01243	7.2
60.61543	5.7
65.01313	7.1
67.01752	85.0
68.99682	26.5
70.71481	13.6
71.01254	29.3
72.99182	13.7
82.85484	5.2
83.01277	5.3
85.02822	36.6
85.06490	5.1
87.00755	8.5
88.03916	77.9
99.00742	8.7
101.02327	10.5
103.02933	6.0
112.04047	4.7
115.87687	5.1
118.94796	5.1
129.01833	42.5
129.03162	5.2
129.05460	15.3
129.07457	7.7
130.04005	80.2
130.04953	13.5
130.08620	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	130.0863
Annotation	L-Norleucine
Peak:m/z	Relative Intensity
52.45190	0.7
57.03324	1.7
57.25252	0.8
65.06403	0.6
71.01243	1.6
71.28115	2.0
73.02808	3.0
82.06519	0.8
85.02815	9.1
87.04394	2.0
100.61758	0.8
130.04001	1.7
130.08627	100.0
131.03464	3.7
131.08995	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	130.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66691	1.4
51.31894	1.7
55.01754	1.9
57.03319	12.1
58.02837	1.8
59.01245	4.0
63.02675	1.5
64.00531	3.2
65.01315	43.0
65.99713	3.1
69.03317	4.5
69.57363	8.2
69.57771	3.7
71.01245	11.4
72.99176	5.4
73.02824	12.3
75.00748	4.4
85.02818	54.5
85.06458	7.9
87.04386	10.0
88.03900	3.5
89.01322	21.5
90.00787	1.7
98.20582	1.6
101.15646	1.8
103.01624	3.8
103.02905	8.3
104.02431	4.0
113.02344	3.4
129.03253	7.7
130.02812	5.3
130.04010	100.0
130.08635	87.2
130.09622	3.8
131.01216	2.4
131.03502	75.7
131.04335	6.1
131.06966	3.0
131.08954	4.6
146.68810	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	119.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23381	0.5
69.37952	0.9
69.38362	3.0
91.05401	1.3
93.03323	4.0
109.06107	0.6
119.04911	100.0
120.05230	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	121.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01357	0.3
59.43990	0.3
63.04477	0.3
69.28558	1.3
69.28983	1.7
79.34773	0.3
88.55308	0.3
91.01782	0.5
93.03334	2.8
94.02847	0.4
95.01251	1.0
96.96943	0.4
108.02037	2.9
121.02839	100.0
122.02340	0.5
122.03151	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	128.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66302	2.3
51.54305	2.0
51.92343	2.0
55.01747	7.5
57.03317	20.7
58.02838	6.8
59.01241	3.4
59.31255	2.3
67.01762	27.6
68.99671	5.9
69.93589	2.3
70.52509	2.1
71.01250	6.6
71.50827	4.7
72.99181	6.5
73.02820	4.4
79.95586	2.4
82.02870	3.3
83.01237	2.5
83.04888	3.6
85.02825	55.2
85.06426	2.7
87.00768	3.8
93.74818	2.1
101.02355	5.0
111.00690	3.2
128.03419	15.0
128.04282	2.8
128.07065	100.0
128.94087	4.5
129.01819	16.4
129.05461	28.5
129.07368	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	119.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11540	0.8
57.11824	0.7
63.77457	0.5
65.01311	0.8
71.06418	0.6
80.14301	0.6
89.97272	0.6
91.05393	0.7
93.03313	3.8
98.19769	1.2
117.03346	0.7
119.04913	100.0
120.05241	6.1
127.46492	0.6
134.72990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94895	2.0
54.30589	2.2
59.01237	13.3
62.25906	1.9
71.01250	100.0
71.04876	8.2
71.12016	4.9
71.15060	2.0
72.01585	2.2
72.99176	4.9
73.03941	12.9
74.02338	3.2
87.00745	25.1
87.24149	2.1
89.01318	4.2
114.98537	1.9
115.00249	20.1
115.03917	6.4
116.02431	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	1169.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
91.92457	0.4
96.96825	4.1
116.87413	0.5
121.36751	0.4
148.29662	0.4
150.97908	1.0
152.99480	58.9
153.99792	0.5
171.00537	17.2
193.69325	0.4
227.03217	4.0
245.04269	74.3
246.04590	1.6
248.08627	0.4
253.21695	38.0
254.21996	1.6
279.36725	0.4
326.41510	0.4
481.25699	100.0
482.26077	7.5
544.04724	0.5
614.20044	0.6
841.23529	1.1
1166.48706	0.5
1169.49402	18.1
1170.49524	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	1171.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03371	0.5
82.91751	0.4
83.04876	1.5
85.02815	0.6
87.00723	0.7
89.02308	0.7
95.01247	1.0
97.02827	0.5
97.06451	0.9
101.02307	1.6
111.00739	1.0
113.02312	0.9
121.06473	0.8
125.02371	0.7
125.37573	0.4
137.05991	0.5
139.07556	2.3
143.08504	0.4
149.05962	0.6
150.03137	0.5
157.10155	0.6
161.44302	0.4
169.10178	0.9
171.08055	0.5
171.11609	0.5
173.09666	0.5
185.09644	0.6
185.13330	0.7
187.11195	6.7
197.09586	0.9
199.11194	0.7
215.10718	1.1
221.09795	0.4
223.14812	0.4
235.08163	1.0
237.12778	0.5
239.14525	0.6
239.17987	0.6
241.15985	0.6
251.14354	4.2
251.18190	0.6
252.10788	0.4
257.19144	1.0
267.17538	9.8
268.17844	0.9
277.21689	4.1
283.13986	0.6
283.17056	2.8
285.18689	1.1
293.11896	0.9
295.13513	0.7
295.16913	0.8
305.08865	0.5
311.12650	0.6
313.18100	0.5
337.14499	0.5
363.19479	0.8
373.18344	0.5
381.20673	12.0
382.21146	1.5
391.19186	3.5
397.13452	10.0
398.13477	0.5
409.20148	3.6
415.14594	4.7
433.20013	0.5
435.17938	3.6
451.21045	1.6
453.19119	1.3
477.18954	1.7
495.20239	100.0
496.20584	9.8
675.36090	0.5
1134.51746	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1141.433
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01271	1.2
83.98237	0.3
85.02836	2.3
87.00738	0.4
89.46999	0.3
93.03342	1.4
94.80093	0.3
95.01255	0.5
98.91217	0.3
99.00725	0.3
101.02329	1.4
103.03884	8.1
107.01253	1.9
108.02045	0.7
109.02857	0.4
113.02303	0.9
117.03360	1.1
119.04891	1.7
120.05277	0.3
120.77364	0.3
121.02847	0.7
123.04362	0.5
125.02306	1.4
131.03445	0.3
133.02850	0.4
134.03682	0.3
135.00723	0.5
137.02332	0.7
143.04973	0.3
145.02873	0.4
145.06403	0.4
148.82925	0.3
149.02304	0.9
151.00264	6.3
152.00995	0.3
153.01836	0.8
157.04970	3.3
159.04446	0.3
161.02339	0.4
163.00325	0.7
164.00987	0.4
164.04686	0.6
165.01808	0.8
169.01379	0.8
169.06465	0.5
171.04402	0.6
174.03128	0.6
175.00351	0.5
175.03877	0.6
176.01062	0.3
177.01811	0.5
178.99803	1.3
180.04228	0.3
183.04408	1.1
183.16136	0.3
183.42256	0.3
185.06004	1.4
185.11725	0.5
187.03873	1.2
189.05473	0.3
190.02635	0.9
193.01492	0.3
195.04564	0.3
195.06480	0.4
197.05949	0.3
197.09796	0.4
199.03941	0.4
205.04982	0.7
211.04004	1.4
213.05475	0.6
221.19051	5.1
222.19543	0.3
223.06006	0.6
227.03442	43.6
228.03828	2.3
229.05109	1.5
239.03447	1.2
239.20052	0.7
241.04979	0.8
243.02856	0.6
247.08168	2.4
255.02959	65.3
256.03571	7.2
257.04340	0.7
259.06119	0.3
265.09299	1.3
265.18042	3.7
269.04547	2.2
271.02484	0.5
271.06088	1.6
281.21185	1.3
283.02472	6.7
283.16193	0.6
283.19165	9.2
284.03253	62.0
284.19452	0.5
285.04016	100.0
286.04376	4.4
289.14218	0.4
299.02127	0.4
299.05402	0.5
300.02914	0.6
301.03400	0.8
301.20193	11.6
302.20578	0.6
315.21762	2.4
324.11221	0.3
325.20172	5.6
327.05133	2.6
343.21185	0.9
363.05359	0.3
367.21600	0.3
447.09286	97.6
448.09686	7.0
448.15302	0.2
463.08090	0.5
493.20493	0.4
513.27112	4.7
514.27252	0.4
531.28070	14.2
532.28448	1.2
549.29254	2.3
573.28998	0.5
577.15741	0.3
579.17310	0.7
591.29974	0.9
619.34637	0.6
620.35211	0.7
625.07379	0.3
665.30493	1.2
666.30206	0.7
675.32367	0.7
693.33331	43.6
694.33673	5.4
785.22821	2.8
786.23132	1.7
787.23474	0.6
893.33710	0.5
896.36627	0.4
922.56024	0.3
961.37494	2.7
979.38153	15.3
980.38452	2.0
1097.50623	0.5
1141.43433	35.1
1142.43579	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	114.0549
Annotation	L-Proline
Peak:m/z	Relative Intensity
54.80385	0.2
57.62642	0.1
66.03356	2.9
67.03700	0.2
69.27901	1.1
69.28315	0.3
71.01249	1.6
73.03950	0.3
86.02348	1.6
86.03139	0.2
87.00755	0.2
93.34632	0.2
112.03909	0.8
114.05492	100.0
115.00248	0.4
115.05228	0.2
115.05833	4.8
127.85488	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08802	1.5
55.77763	1.2
66.03348	1.4
71.01248	11.9
71.27998	2.1
71.28350	1.7
78.12738	1.4
78.54959	1.6
79.30831	1.4
114.05489	100.0
115.05832	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	1141.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01250	0.6
85.02819	2.7
91.01785	0.3
93.03316	1.1
95.01273	0.2
97.25508	0.2
98.20560	0.5
98.42795	0.2
100.35384	0.2
101.02344	0.4
103.03922	0.2
107.01267	1.7
108.02049	0.6
109.02824	0.6
111.00740	0.5
117.03343	0.3
119.01340	0.2
119.04913	0.8
121.02808	0.2
125.02321	0.4
129.01813	0.7
132.02086	0.8
134.03685	0.2
135.00755	1.3
137.02316	0.4
143.04910	0.7
145.02835	0.5
147.02892	0.2
149.02267	0.2
151.00281	2.3
152.01077	0.6
153.01813	0.4
157.06453	0.3
159.04408	0.8
160.03882	0.2
161.06073	0.2
163.00243	1.6
163.03870	0.4
163.11145	0.2
164.01053	0.4
165.01796	0.6
167.04945	0.5
169.06496	0.4
171.04420	0.4
173.02367	0.3
175.00294	0.2
178.99803	0.2
181.04993	0.3
183.04428	0.7
185.02370	0.3
185.06047	1.1
187.03906	1.8
189.05466	0.6
191.00108	0.3
191.01857	2.2
191.03389	0.2
193.05009	0.3
195.04446	0.3
195.13840	0.8
196.05246	0.3
197.06015	0.6
198.03209	0.2
199.03925	0.8
200.04532	0.3
201.05368	0.3
205.04893	0.4
211.03885	1.7
212.04752	0.3
213.05414	1.0
215.03462	0.3
223.04068	0.3
223.06160	0.2
223.13358	0.5
225.05548	0.2
226.02640	0.3
227.03439	21.3
228.03813	1.3
229.05008	6.5
239.03438	1.4
240.04184	0.4
241.05127	1.0
241.14412	3.1
242.14786	0.3
243.02959	0.4
255.02956	45.7
256.03464	3.9
257.04523	3.7
267.03015	0.7
268.03793	0.6
269.04507	2.8
270.04904	0.4
271.02472	0.6
271.06082	0.8
272.39917	0.2
283.02435	0.6
283.15491	1.7
284.03241	61.0
285.03998	58.9
286.04337	3.3
299.01956	0.5
299.05621	0.6
300.02695	0.6
301.03445	0.6
327.05179	0.5
429.07672	0.4
447.08987	0.4
477.09967	0.3
489.10349	100.0
490.10724	9.6
505.10272	0.2
521.12823	0.5
577.15887	1.0
578.16144	0.4
579.17059	0.6
607.16846	0.9
785.22791	0.2
812.23315	0.3
905.27612	0.2
915.25922	0.5
949.27618	1.5
1020.19537	0.2
1141.31799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.382
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01266	0.5
91.01749	0.2
93.03326	0.2
95.93211	0.1
101.02320	0.2
107.01272	1.3
108.02013	0.6
109.02834	0.7
111.00779	0.1
119.01253	0.1
121.02834	1.1
125.02384	0.1
135.00781	0.5
137.02405	0.1
147.04417	0.1
147.21574	0.1
148.01573	0.7
149.02350	0.3
151.00269	6.2
152.00815	0.2
153.01810	0.2
159.04366	0.2
163.00279	1.3
163.03891	0.2
164.00989	0.2
165.01807	0.2
169.01367	0.7
173.06047	0.1
175.03972	0.2
178.99770	3.4
183.04472	0.2
185.05807	0.1
187.03851	0.2
188.04683	0.1
190.99835	0.1
191.03403	0.1
192.00539	0.3
193.01234	0.1
198.03122	0.2
199.04001	0.4
201.05603	0.3
203.03551	0.2
211.03934	0.7
212.04884	0.1
214.02565	0.2
215.03423	0.3
216.04195	0.3
221.11845	0.2
226.02654	0.7
227.03450	2.1
228.03947	0.2
229.04970	0.5
230.02371	0.1
239.03442	0.3
241.01483	0.1
243.02963	5.1
244.03517	0.4
245.04474	0.6
253.08714	0.2
254.02199	1.3
255.02957	15.3
256.03375	1.0
257.04498	0.2
271.02457	32.3
272.02951	2.0
273.03983	0.6
283.02390	0.8
284.03247	0.9
285.04007	1.7
299.01898	0.8
300.02725	60.3
301.03464	24.7
302.03796	1.2
318.35345	0.1
343.04599	0.5
363.48123	0.1
367.17575	0.4
529.22797	0.2
609.14545	100.0
610.14893	8.8
735.46442	0.1
739.20868	0.2
1013.00787	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03340	0.1
83.01252	0.4
85.02812	0.4
89.00209	0.2
89.02312	0.1
93.03328	1.0
95.01276	0.2
98.19839	0.2
99.00732	0.1
99.04388	0.3
101.02345	0.2
103.03838	0.1
105.03317	0.2
107.01272	1.6
108.02051	0.4
109.02811	0.2
111.00757	6.8
113.02317	0.3
115.00259	0.1
117.03341	4.5
119.01281	0.2
119.04909	8.0
120.05231	0.2
121.02837	1.6
123.00715	0.2
123.04394	0.1
132.02060	0.1
133.02834	0.2
135.04414	0.4
136.01445	0.1
137.02309	0.3
138.03094	0.2
143.03389	2.5
143.04907	1.1
145.02844	2.6
145.06453	0.1
146.03635	0.1
147.00804	0.1
147.04456	0.1
148.01524	0.2
149.02333	3.9
150.03146	1.3
151.00255	1.7
151.03857	0.1
152.01010	0.3
153.01834	0.2
153.05478	0.2
154.99748	0.2
155.04950	0.2
157.06470	0.2
158.03719	0.1
159.04413	1.2
160.01550	0.2
160.03886	0.2
161.02345	1.0
161.04359	0.1
162.03154	0.1
163.03915	3.0
164.04692	1.4
165.01830	0.3
165.05434	0.4
167.04883	0.1
169.01332	0.2
169.06445	0.5
171.04385	0.6
173.00833	0.2
173.02322	0.1
174.03017	0.1
175.00282	0.7
175.03937	0.4
176.01080	0.9
177.01755	0.1
179.07085	0.4
179.50941	0.1
180.05658	0.1
181.04932	0.1
181.06511	0.4
182.03790	0.1
183.04442	0.9
184.05156	0.2
185.05991	0.1
187.02397	2.6
188.87402	0.1
190.02626	1.6
191.03409	1.6
191.07027	0.1
193.01326	0.7
194.02129	0.4
195.04398	0.3
196.05260	0.4
197.06026	0.8
199.03940	0.3
200.04738	0.2
201.05496	0.7
203.03349	0.2
205.03326	0.2
205.05022	1.2
208.03677	1.0
209.04480	0.8
210.31961	0.1
211.03955	0.4
212.04617	0.1
213.05463	0.7
221.06094	0.1
223.03993	0.1
223.05983	1.4
224.04697	0.4
225.05501	1.6
227.03413	0.6
239.03482	0.9
239.07176	0.1
240.04240	1.3
241.05017	2.5
242.05507	0.1
245.08170	0.2
249.05478	0.2
250.06097	0.1
251.07059	0.2
253.05046	0.7
254.05658	0.2
255.03149	0.1
256.07355	0.9
266.05807	0.2
267.02954	0.6
267.06564	0.8
268.03751	26.9
269.04526	100.0
270.04861	4.7
270.08249	0.1
270.08997	0.1
271.02618	0.1
271.06738	0.1
271.09763	1.1
277.05191	0.1
281.05005	0.2
281.08246	0.5
282.05490	0.2
282.08926	0.3
283.06107	1.8
283.09711	0.7
284.10489	0.5
285.11493	0.1
289.14581	0.1
293.04425	0.5
294.05121	0.1
295.06085	1.1
297.11362	0.3
309.07721	0.1
310.05267	0.1
310.08240	0.6
311.05722	0.5
311.08865	0.1
324.17798	0.1
325.10754	0.5
335.05792	0.1
343.11716	0.2
369.09796	0.7
371.07541	0.1
387.10846	1.6
397.22363	0.2
413.08731	1.1
431.09747	1.1
480.18469	0.1
513.16174	0.1
559.14539	7.0
560.14594	0.6
577.15558	29.7
578.15839	2.3
619.16632	0.2
675.15619	1.7
676.15161	0.2
677.20844	0.3
723.19226	9.4
724.19263	0.8
737.20819	0.5
783.21356	12.0
784.21552	1.3
903.27100	16.9
904.27374	2.1
947.26086	30.5
948.26331	4.6
1135.38306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61257	0.6
53.03185	0.7
55.01753	1.3
57.03322	7.0
58.02847	1.3
59.98387	2.9
66.03354	2.5
68.99431	2.8
69.03314	1.2
71.01249	2.2
71.02369	2.0
72.00764	2.5
83.04898	12.7
84.02029	2.7
84.05237	0.9
85.02814	14.3
86.02322	1.1
93.57507	0.8
96.00777	1.0
98.03624	1.0
102.02971	0.7
103.34078	0.7
112.03880	0.8
113.02322	11.2
113.03139	0.9
113.03484	1.4
113.04339	0.7
113.05959	11.1
114.01880	2.0
114.05487	100.0
122.69373	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01252	0.2
85.02826	0.2
93.03333	0.3
95.01305	0.1
96.95879	0.1
99.04399	0.1
101.02341	0.2
105.03345	0.2
106.84131	0.1
107.01270	1.2
108.02096	0.1
111.00758	2.9
113.02304	0.1
117.03344	2.5
119.04926	0.6
121.02824	0.4
125.02321	0.1
131.04927	0.1
134.03625	0.1
135.04436	0.2
137.02353	0.1
143.03389	0.8
143.04929	0.3
145.02910	0.1
148.01530	0.2
149.02342	1.3
151.00266	1.0
157.06467	0.2
158.03633	0.2
159.04427	1.1
161.02339	0.9
161.04395	0.2
162.03146	0.1
163.03918	0.7
164.04671	0.3
166.02477	0.1
167.03494	0.1
167.05013	0.1
169.01358	0.2
169.06483	0.5
171.04433	0.4
172.05162	0.2
173.02319	0.2
174.03215	0.1
175.00285	0.2
180.05670	0.1
181.05164	0.1
181.06462	0.4
182.03714	0.1
183.04449	0.7
184.05083	0.1
185.05928	0.2
187.02405	1.2
190.02652	0.2
195.04411	0.4
195.06276	0.1
196.05174	0.5
197.06010	0.7
199.04004	0.2
200.04616	0.2
201.05507	0.5
205.05084	0.1
211.03992	0.4
212.04677	0.2
213.05511	1.6
223.04086	0.1
223.05977	0.2
224.04637	0.5
225.05505	1.3
225.07578	0.1
227.03447	0.4
239.03444	0.7
240.04272	0.9
241.05020	6.4
241.14488	0.1
242.05322	0.2
252.07501	0.1
253.04970	0.1
256.07385	2.5
257.07816	0.1
265.09140	0.2
266.05942	0.1
267.03067	0.4
267.06573	0.2
268.03760	17.4
269.04529	100.0
270.04868	4.5
270.07996	0.1
271.09732	2.9
272.09976	0.1
281.08344	0.2
282.05466	0.1
282.08890	0.2
283.06119	0.4
284.10287	0.1
285.04138	0.1
293.04584	0.3
295.06149	0.3
310.08264	0.2
311.05646	0.5
325.10757	0.2
326.19156	0.1
335.06216	0.1
369.09824	0.2
387.10873	0.5
413.08698	0.9
429.11749	0.1
431.09686	0.4
447.09738	0.1
457.11761	0.1
467.18909	0.1
513.19995	0.1
559.14520	1.2
560.14545	0.2
577.15570	64.7
578.15906	5.6
675.15741	0.5
737.20850	0.4
738.21460	0.1
778.70563	0.1
783.21313	0.1
903.27094	7.2
904.27582	1.1
947.26007	7.5
948.26666	1.2
1135.36426	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.489
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95771	56.3
81.45521	0.2
96.96835	4.1
116.43217	0.2
126.15302	0.2
150.97920	1.1
152.99484	66.4
153.99855	0.6
171.00542	18.3
192.52531	0.2
227.03203	3.6
245.04269	75.7
246.04555	1.4
253.21695	36.8
254.21970	1.6
348.31747	0.3
354.51724	0.3
478.29169	0.3
481.25687	100.0
482.25995	6.9
670.81927	0.3
795.23236	1.2
895.45514	0.6
1123.48877	21.0
1124.48914	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	1113.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
80.06237	0.2
83.01250	1.1
85.02847	0.7
89.02332	0.4
93.03354	0.5
93.54010	0.2
95.01266	0.3
97.02859	0.2
98.19849	0.2
101.02330	1.1
103.03889	0.3
107.01228	1.2
108.02076	1.0
109.02829	0.5
112.69442	0.2
113.02328	0.8
119.04911	1.0
121.02833	0.5
124.01573	0.3
125.02338	1.0
135.00746	0.6
137.02325	0.6
143.04927	0.2
145.02840	1.9
147.00665	0.3
147.04393	0.3
148.01526	0.7
149.02327	0.9
149.99434	0.3
150.03171	0.5
151.00272	5.1
152.00998	0.5
153.01765	0.3
157.02924	0.2
159.04292	0.5
160.03920	0.3
161.02367	0.5
161.04607	0.3
163.00223	1.2
163.03871	0.4
164.01044	0.3
164.04689	0.3
165.01869	0.6
165.05461	0.3
166.02588	0.3
167.04868	0.2
169.01329	0.7
171.04379	0.4
173.02376	0.9
174.03127	5.0
175.00299	0.3
175.03946	2.7
175.07614	0.2
177.01802	0.3
178.02628	0.3
178.99756	0.3
181.05144	0.2
183.04445	1.0
183.08075	0.5
184.05315	0.2
187.03935	0.5
190.02614	0.4
191.03441	0.2
193.04791	0.3
195.06750	0.4
199.03940	2.5
199.07581	0.6
200.04633	0.3
201.01859	0.4
201.09142	0.8
202.02800	0.2
203.03378	0.4
205.04962	0.6
206.02107	4.2
211.03888	0.8
213.01877	0.3
215.03410	1.3
216.04135	0.4
223.06032	0.5
226.02682	0.5
227.03497	3.2
227.07095	2.7
228.04115	0.5
229.01469	0.3
242.02155	2.3
242.99310	0.3
243.02943	20.1
244.03537	1.9
245.08189	37.4
246.08612	1.4
254.02243	1.2
255.02950	15.8
256.03430	1.4
257.04547	2.4
259.06079	0.9
265.09280	0.4
269.04507	1.3
270.01709	2.4
270.04642	0.3
270.09143	0.3
271.02454	39.6
272.03091	4.4
273.03726	0.3
284.03345	0.7
285.04034	4.7
285.07352	0.3
286.04694	1.3
287.05533	1.7
299.01959	22.7
300.02707	40.4
301.03052	2.4
313.03586	0.7
314.04303	28.7
315.05072	100.0
316.05414	6.2
357.06262	0.6
360.13510	0.2
379.08191	0.4
394.08911	0.2
477.10330	19.6
478.10745	1.5
481.20605	0.4
519.11395	11.3
520.11829	1.0
559.14282	1.5
561.12427	8.5
562.12726	0.8
577.14960	0.3
581.72137	0.3
585.12878	0.7
593.22632	0.5
603.13428	1.1
621.14722	0.3
783.21661	0.3
785.23389	0.4
867.25256	4.5
868.25952	0.7
924.26294	0.2
1113.34412	31.2
1114.34656	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	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	5.7
61.68391	2.8
67.01763	16.2
68.01277	6.6
70.42704	10.5
72.92301	3.2
78.95778	100.0
82.93500	3.0
83.01260	19.2
93.70689	3.2
110.89803	4.2
110.98363	3.6
111.00764	64.5
111.01929	5.7
111.04436	8.4
112.00269	6.8
112.01044	3.3
126.21555	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	111.0076
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01832	2.3
67.01756	53.2
68.01271	7.6
70.09116	5.1
70.09502	5.7
83.01273	5.2
111.00762	100.0
111.01904	4.2
112.01092	7.0
115.06706	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	1113.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01256	0.3
85.27146	0.1
87.30228	0.1
91.01765	0.3
93.03333	0.8
95.01241	0.1
107.01265	1.5
108.02064	0.2
109.02806	0.4
117.03356	0.3
119.01263	0.1
120.02147	0.1
121.02782	0.2
123.00773	0.1
125.02366	0.1
130.04182	0.1
131.04979	0.2
132.02045	0.7
133.02872	0.1
135.00761	1.4
137.02325	0.3
141.07005	0.1
143.04930	0.4
144.05408	0.1
145.02866	0.2
145.06422	0.2
147.00780	0.1
151.00264	1.6
152.01048	0.2
153.01831	0.3
154.04199	0.1
155.04916	0.2
156.05719	0.1
157.06517	0.6
158.03564	0.1
159.04430	0.7
159.33997	0.1
161.02342	0.1
163.00278	1.8
164.01085	0.5
165.01825	0.3
167.04916	0.4
169.01341	0.1
169.06488	0.6
171.04364	0.5
173.02301	0.1
173.05893	0.2
177.01732	0.2
178.99797	0.1
182.03612	0.2
183.04471	0.7
184.05203	0.2
185.02377	0.3
185.05995	1.7
187.03914	2.3
189.05444	0.7
190.99814	0.2
191.03473	0.1
195.04453	0.6
196.05177	0.3
197.06006	0.8
198.03098	0.2
199.03922	0.8
200.04701	0.4
201.05548	0.4
208.00082	0.1
209.00803	0.2
211.03925	2.3
212.04520	0.3
213.01845	0.1
213.05470	1.3
214.02579	0.2
215.03447	0.3
223.03941	0.2
223.13190	0.1
224.04771	0.1
227.03439	22.0
228.03827	1.3
229.04999	8.5
229.08333	0.1
230.05191	0.4
239.03441	1.5
240.04138	0.6
241.04948	1.3
241.14490	0.5
243.02902	0.3
255.02954	51.4
256.03479	5.3
257.04523	5.4
258.04904	0.3
267.02887	0.7
268.03696	0.2
269.04437	0.5
283.02432	0.7
283.15244	0.2
284.03244	72.9
285.03989	74.0
286.04361	4.2
287.04584	0.1
297.03857	0.1
327.05133	0.3
447.09317	0.3
489.10333	100.0
490.10693	9.9
491.11011	0.3
521.13104	0.2
577.15594	0.3
579.16998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05400	0.2
81.03343	0.1
83.04885	0.1
85.02825	0.2
85.06455	0.8
87.04380	3.2
88.04753	0.1
93.03310	0.2
95.04906	0.2
97.06455	0.6
105.06976	0.4
107.04906	0.2
108.02044	0.2
119.04900	0.3
121.02831	0.2
121.06464	0.3
122.03630	0.1
125.05981	1.1
131.08452	0.1
133.10112	1.2
135.04382	1.2
136.01558	0.1
136.05188	0.2
137.02274	0.1
137.05942	0.2
147.04384	0.9
148.05156	0.2
149.02301	0.1
149.05975	3.1
150.06761	0.8
151.00288	0.3
151.07579	0.6
159.08046	0.2
159.22331	0.1
160.05176	0.3
160.08829	0.2
161.02388	0.2
161.05960	1.1
162.06746	0.6
163.03955	0.1
163.07497	0.5
164.00977	0.3
171.84033	0.1
172.14238	0.1
173.06023	0.3
174.10406	0.2
175.03911	0.3
175.07552	4.8
176.04700	0.7
176.08336	1.7
177.05510	0.4
177.09108	6.1
178.09483	0.4
179.10783	0.1
185.05998	0.1
187.03929	0.2
187.07515	0.3
187.11235	0.2
188.04703	1.6
188.08354	0.2
189.05504	1.9
189.09047	0.3
190.06209	0.2
191.03511	0.1
191.10725	0.4
192.04178	0.2
192.07802	0.1
193.05013	0.2
196.00056	0.1
199.07602	0.1
201.09105	0.4
201.12830	0.2
202.06253	0.4
202.09697	0.1
203.07091	1.1
203.10710	0.9
203.14362	0.3
204.07855	2.9
205.08632	1.1
205.12323	0.5
213.09167	0.4
214.09894	0.4
215.10728	0.2
216.07806	0.1
217.08740	0.2
217.12236	1.4
218.09372	0.7
219.10190	1.1
219.13800	0.7
220.10977	4.6
221.11552	0.6
227.10721	0.2
229.08659	0.3
229.12277	3.1
230.05859	0.3
230.12712	0.2
230.44594	0.1
231.10204	9.0
232.10626	0.6
233.04562	0.1
233.11809	1.0
234.12305	0.1
235.13277	0.8
243.06613	0.2
243.10268	0.2
243.13857	0.2
244.11044	0.6
245.08133	2.1
245.11760	0.5
246.08739	0.2
246.12543	1.4
247.13354	15.9
248.06683	0.1
248.13655	1.0
255.10233	0.2
257.15469	0.2
259.13412	0.6
261.11310	0.2
261.14954	0.7
264.09937	1.5
265.10083	0.1
268.03629	0.1
269.04605	0.5
269.15439	0.2
270.04907	0.1
271.13452	0.2
273.11334	2.1
274.11908	0.2
275.16547	1.2
277.14377	0.2
285.04309	0.2
285.07654	2.7
286.08044	0.2
287.13208	0.2
287.16489	2.1
288.16888	0.2
289.14435	0.8
291.12308	0.4
303.15988	0.2
305.17554	21.5
306.17892	1.7
331.15479	5.8
332.15921	0.4
349.16525	100.0
350.16846	8.1
351.17224	0.5
511.21799	31.3
512.22107	3.7
513.22284	0.3
577.15887	0.2
593.18555	1.0
593.26721	0.1
895.68732	0.1
1039.72437	0.1
1061.93152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01755	0.2
81.03332	0.3
83.01245	0.1
85.02813	0.9
91.01750	0.4
93.03326	0.5
95.01255	0.5
96.02229	0.1
99.00772	0.2
101.01659	0.1
101.02313	0.4
101.80698	0.1
107.01298	0.3
107.04929	0.2
108.02048	27.5
109.02846	9.9
110.81799	0.1
113.02322	0.5
119.01250	0.8
119.04926	0.2
121.02840	1.1
122.03648	0.2
123.00777	0.6
123.04386	0.5
125.02341	0.4
133.02841	0.3
134.03639	0.3
135.00775	1.1
135.04364	0.6
137.02341	0.3
138.03143	0.4
139.83356	0.1
147.00735	0.6
148.01579	0.6
149.02359	2.3
150.03127	1.4
151.00269	0.3
151.03874	0.7
152.01051	38.6
153.01839	11.6
153.02872	0.1
154.02213	0.3
159.22693	0.1
161.02345	0.3
161.04419	0.2
162.03130	0.3
163.03941	1.1
164.04704	1.8
165.01862	0.9
165.05440	0.7
166.02583	0.3
167.03403	0.9
169.04993	0.2
175.00279	4.4
176.01067	6.7
177.01852	0.5
177.05486	0.2
179.07024	0.3
181.01385	0.1
181.04900	0.2
189.01799	0.3
190.02635	12.1
191.03412	12.4
192.03894	0.4
193.01447	0.2
194.02141	0.7
195.02904	0.4
205.04996	11.6
206.05368	0.4
207.02855	0.3
207.06581	0.3
208.03693	0.4
209.04477	2.3
217.01366	0.3
221.08025	0.1
223.06041	2.0
225.03992	0.2
233.04530	0.2
237.03809	0.1
243.02969	0.3
247.05972	0.1
251.05588	0.4
257.04593	0.3
258.05289	0.3
265.06836	0.1
271.06137	0.2
272.06760	0.2
273.07593	0.6
284.03171	0.1
285.04007	0.2
286.08817	0.1
287.09219	0.2
295.08386	0.2
297.06198	0.2
300.06427	0.2
310.06976	0.1
312.02182	0.1
315.07190	11.1
316.07498	0.4
337.09488	0.1
338.06329	0.2
352.08026	0.1
353.04596	0.2
353.08743	2.5
354.09097	0.1
367.10315	0.5
429.07971	0.2
462.11758	0.2
474.07758	0.6
477.14157	0.6
489.10397	0.9
490.11539	0.1
506.10437	0.4
520.12347	0.2
521.12964	100.0
522.13293	8.3
523.13904	0.1
579.16986	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	109.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00217	8.0
51.70621	2.0
52.99790	2.2
58.02833	10.8
58.87472	1.9
61.84050	2.0
64.01797	2.9
65.01311	5.0
66.03355	10.4
67.01772	2.6
67.02885	100.0
67.05392	2.3
68.01293	6.7
68.02412	2.6
69.03316	2.6
70.64861	2.7
70.65208	5.6
79.02880	5.0
81.03343	4.6
81.04431	2.6
81.99200	3.9
82.02861	23.4
91.05430	3.7
93.03335	13.0
94.04128	2.9
103.31184	2.1
107.04902	9.6
108.02023	11.1
109.02847	77.2
109.03943	33.2
109.06461	31.2
110.02364	6.0
110.03194	6.7
110.06799	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	1093.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
79.15240	0.4
81.03355	0.9
83.01252	7.0
84.02042	0.6
85.02820	18.5
85.06476	0.4
85.19191	0.4
86.03078	0.4
87.00745	3.7
89.02316	17.6
93.03349	0.7
95.01264	8.0
96.95909	0.3
97.02821	1.3
99.00755	2.0
101.02320	27.7
103.03853	0.9
107.01275	0.5
108.02051	0.6
109.02804	0.7
111.00746	1.1
112.01591	0.5
113.02327	42.9
114.02675	0.7
114.40546	0.4
115.03865	0.4
119.03384	7.8
119.04895	1.3
121.02856	0.7
125.02332	2.5
129.01758	0.6
131.03383	2.4
137.02295	0.8
143.03389	5.5
145.02971	0.4
149.02328	0.8
149.04454	2.5
150.03180	1.0
151.00253	1.8
152.01036	0.9
155.03400	0.4
159.02946	0.4
161.04457	12.6
163.03876	0.7
163.06004	0.8
175.00325	0.4
179.05521	6.3
190.02577	0.6
191.05418	0.4
193.05023	0.5
195.06529	0.5
205.05028	0.7
221.06575	1.4
225.07661	0.4
235.17081	0.9
240.04236	1.3
253.18108	1.0
265.09311	0.7
268.03751	54.2
269.04303	5.6
271.06107	0.8
283.06104	89.3
284.03387	0.4
284.06396	5.3
285.04089	0.4
299.05524	0.5
300.76108	0.4
325.07169	1.4
327.18045	1.2
349.19952	0.5
379.21265	0.8
383.29544	0.6
397.22272	100.0
398.22592	6.3
415.23355	30.1
416.23590	1.8
447.09189	0.6
457.24414	33.8
458.24594	2.3
471.12775	1.2
473.59421	0.4
477.10373	0.9
501.22998	1.1
579.16833	0.7
591.17120	14.5
592.17426	1.1
1093.38879	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00745	0.5
83.01247	1.2
85.02818	5.8
87.00723	1.5
89.02314	18.3
93.03323	0.5
95.01248	1.4
99.00743	0.7
101.02321	14.9
103.03876	4.1
111.00775	1.9
113.02327	8.4
117.03333	0.4
119.03388	8.5
119.04863	2.9
121.02849	0.7
131.01271	0.4
131.03384	0.5
133.02829	0.3
135.04369	0.4
137.02298	0.6
143.03421	1.6
147.04472	0.4
147.74246	0.3
149.02345	3.7
149.04411	0.7
151.00230	0.4
152.71971	0.3
153.05573	0.3
156.27635	0.3
161.02332	0.4
161.04454	1.6
163.00269	0.8
163.03900	3.8
164.04677	2.6
165.05411	0.5
166.02599	0.3
169.01340	0.9
169.04918	0.3
173.00882	0.6
175.00261	1.0
177.05481	0.4
179.03415	0.4
179.03752	0.4
179.05519	4.7
179.06992	0.3
181.01305	0.8
190.02663	2.5
191.01868	0.3
191.03462	1.4
193.04996	0.3
205.03365	1.4
205.05107	1.7
206.05696	1.1
208.03566	0.4
221.08154	0.7
222.05318	0.4
223.06029	2.1
235.06091	0.4
237.07732	0.4
250.04787	0.4
253.07176	1.4
255.02998	0.6
258.26047	0.3
265.07373	0.7
265.09332	8.6
266.09683	0.5
268.03778	2.0
269.04517	5.0
270.04764	0.5
281.04526	2.7
282.05292	4.1
283.06006	1.9
284.03149	2.1
285.03854	0.8
291.03067	1.5
291.05804	0.3
292.03787	1.9
293.04584	1.4
294.05359	0.6
295.05975	0.3
297.07675	0.8
299.05624	3.9
307.06100	10.0
308.06464	0.6
309.07718	0.6
323.05649	0.4
323.71341	0.3
325.07047	5.8
326.07410	0.5
328.05792	0.5
331.46979	0.3
337.07010	1.4
339.08746	0.3
349.07138	0.6
367.08084	0.9
427.10300	2.5
457.24289	0.3
471.15033	15.6
472.15317	0.9
487.12610	1.2
501.16376	1.9
577.15576	3.1
578.15826	0.5
593.15015	0.6
607.16644	100.0
608.16998	7.9
658.61395	0.3
1079.34656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01253	5.3
84.36176	0.1
85.02815	1.6
87.00761	0.5
89.01775	0.2
89.02318	3.6
92.01340	0.1
93.03331	2.1
95.01234	0.7
95.21286	0.1
98.19807	0.3
101.02316	10.9
102.02677	0.2
107.01268	7.4
108.02058	0.5
109.02818	0.2
113.02329	4.9
117.03336	0.4
119.03493	1.9
119.04910	10.8
120.05225	0.2
125.02329	2.1
131.03371	1.1
133.02850	0.2
136.01532	0.6
143.03406	1.8
143.04915	0.9
145.02843	1.9
149.02431	0.2
149.04449	3.5
151.00267	32.5
152.00606	0.7
155.03415	0.3
161.04463	5.8
161.05907	0.5
164.01051	1.7
165.01851	1.6
169.01308	0.6
175.00310	0.8
177.01855	2.8
179.05516	1.0
185.06027	1.4
187.03964	0.6
193.01378	1.1
196.00038	1.3
198.06641	0.2
199.03951	0.1
203.05495	0.8
205.01385	0.3
217.01317	0.3
221.06631	2.8
227.07104	1.7
229.04951	0.2
235.02414	1.3
241.04991	0.5
247.11800	1.2
257.87851	0.2
269.04578	0.8
270.05212	1.6
271.06100	26.9
272.06415	1.5
289.09723	0.2
289.12930	2.8
290.13101	0.2
295.06223	0.2
313.07147	1.8
333.12003	0.2
339.07031	1.1
355.07947	0.1
357.08182	0.3
402.35904	0.2
433.11298	4.7
434.11700	0.3
443.57404	0.1
459.11514	4.3
460.11862	0.4
475.12460	0.2
577.15674	0.2
578.15808	0.3
579.17126	100.0
580.17487	8.0
580.26947	0.2
621.18243	0.4
741.22418	14.5
742.22614	1.6
783.23309	0.2
869.53162	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00755	0.2
82.44289	0.1
83.01254	2.6
85.02812	1.6
87.00742	0.3
89.02311	2.7
93.03328	0.1
95.01266	0.6
101.02312	7.0
105.19161	0.1
107.01283	0.8
113.02320	3.2
117.03327	1.8
119.03390	1.4
121.02837	0.2
125.02375	0.4
131.03421	0.8
143.03406	0.9
147.00751	0.2
149.02393	0.7
149.04431	2.0
151.00252	0.7
155.03403	0.3
159.04433	0.6
161.02328	0.5
161.04449	3.3
169.06470	0.3
171.04297	0.2
179.05531	0.5
181.06458	0.2
183.04471	0.4
196.05202	0.5
197.06042	0.4
201.05470	0.4
203.05537	0.5
205.09872	0.2
210.44485	0.1
211.03943	0.3
212.04646	0.2
221.06580	1.4
224.04684	0.3
225.05466	0.9
227.03461	0.5
239.03404	0.4
240.04134	0.9
247.11861	0.7
267.03082	0.3
268.03754	18.6
269.04523	100.0
270.04865	5.3
281.04562	0.3
283.06125	0.5
289.12857	1.3
293.04498	0.3
311.05603	1.7
317.13745	0.1
323.05582	0.2
333.11569	0.3
341.06631	0.2
413.08850	1.0
431.09628	1.2
432.10825	0.2
457.11630	0.2
577.15558	99.9
578.15930	8.9
619.16968	0.4
739.20563	0.4
994.84381	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01267	0.6
83.04871	0.2
85.02835	0.6
87.00764	0.2
87.04387	0.2
89.02345	0.3
91.01752	0.4
93.03345	0.8
99.00773	0.2
101.02299	1.4
107.01279	0.9
109.02873	0.4
113.02306	0.6
117.03334	0.3
119.03443	0.3
119.04944	0.3
121.02876	0.4
125.02357	0.3
135.00752	0.7
137.09605	0.2
143.04904	0.5
145.02832	0.4
149.02351	0.2
151.00278	1.7
153.01848	0.4
159.04442	0.7
161.04463	0.7
163.00238	1.3
164.01036	0.2
165.01822	0.3
167.04906	0.2
169.06506	0.3
171.04416	0.5
174.03204	0.2
178.99669	0.4
185.05945	1.0
187.03946	1.2
189.05492	0.5
190.99809	0.2
195.04401	0.7
195.06259	0.2
195.13841	0.4
197.05948	0.5
198.58188	0.2
199.03969	0.3
201.05473	0.3
211.03983	1.2
213.05469	1.4
216.03883	0.2
223.03999	0.3
223.06313	0.2
227.03447	13.8
228.03806	1.2
229.05023	5.8
230.05385	0.6
237.14925	0.6
239.03482	0.8
240.04172	0.5
241.05005	0.8
255.02957	25.9
256.03482	3.6
257.04553	3.0
258.04742	0.4
267.02954	0.5
269.04492	0.7
271.06033	0.3
280.80429	0.2
283.02521	0.3
284.03244	37.6
285.03992	52.6
286.04324	5.8
287.04550	1.2
327.04990	1.0
327.08759	0.5
369.19128	0.2
371.20590	1.6
387.20279	0.2
389.21692	1.7
429.21304	0.8
430.21652	0.7
431.22794	4.2
432.23230	0.3
475.12592	0.5
593.15063	100.0
594.15387	16.2
595.15637	6.7
596.16046	0.6
598.86682	0.2
711.58734	0.2
897.26593	0.2
1069.34094	0.3
1095.85242	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01267	0.6
83.04871	0.2
85.02835	0.6
87.00764	0.2
87.04387	0.2
89.02345	0.3
91.01752	0.4
93.03345	0.8
99.00773	0.2
101.02299	1.4
107.01279	0.9
109.02873	0.4
113.02306	0.6
117.03334	0.3
119.03443	0.3
119.04944	0.3
121.02876	0.4
125.02357	0.3
135.00752	0.7
137.09605	0.2
143.04904	0.5
145.02832	0.4
149.02351	0.2
151.00278	1.7
153.01848	0.4
159.04442	0.7
161.04463	0.7
163.00238	1.3
164.01036	0.2
165.01822	0.3
167.04906	0.2
169.06506	0.3
171.04416	0.5
174.03204	0.2
178.99669	0.4
185.05945	1.0
187.03946	1.2
189.05492	0.5
190.99809	0.2
195.04401	0.7
195.06259	0.2
195.13841	0.4
197.05948	0.5
198.58188	0.2
199.03969	0.3
201.05473	0.3
211.03983	1.2
213.05469	1.4
216.03883	0.2
223.03999	0.3
223.06313	0.2
227.03447	13.8
228.03806	1.2
229.05023	5.8
230.05385	0.6
237.14925	0.6
239.03482	0.8
240.04172	0.5
241.05005	0.8
255.02957	25.9
256.03482	3.6
257.04553	3.0
258.04742	0.4
267.02954	0.5
269.04492	0.7
271.06033	0.3
280.80429	0.2
283.02521	0.3
284.03244	37.6
285.03992	52.6
286.04324	5.8
287.04550	1.2
327.04990	1.0
327.08759	0.5
369.19128	0.2
371.20590	1.6
387.20279	0.2
389.21692	1.7
429.21304	0.8
430.21652	0.7
431.22794	4.2
432.23230	0.3
475.12592	0.5
593.15063	100.0
594.15387	16.2
595.15637	6.7
596.16046	0.6
598.86682	0.2
711.58734	0.2
897.26593	0.2
1069.34094	0.3
1095.85242	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01256	2.2
85.02811	1.5
87.00721	0.4
93.03355	0.6
95.01317	0.3
96.95896	0.3
98.19833	0.7
99.04404	0.5
99.62840	0.3
101.02337	1.3
103.03889	1.0
107.01276	1.2
108.02052	1.7
109.02342	0.4
113.02321	0.6
117.03390	0.3
119.04916	1.3
121.02866	0.7
125.02341	1.2
134.03661	0.3
135.04417	0.4
137.02345	0.4
138.01865	3.9
139.02203	1.0
145.02852	0.8
147.04437	0.3
148.01555	0.6
149.02339	0.3
151.00267	3.7
151.03867	0.4
152.01016	0.7
153.01804	0.4
157.02925	0.4
161.04449	0.4
163.00256	0.7
164.01080	0.4
165.01872	0.5
169.01331	0.6
169.02711	0.3
171.04382	0.4
173.02397	1.5
174.03120	0.4
175.03824	0.7
181.05048	0.4
183.04385	0.7
187.03963	0.9
188.01027	0.4
189.01749	0.4
192.00526	0.4
195.06589	0.3
199.03918	3.7
200.01088	0.4
200.04665	0.5
201.01851	8.1
203.03313	0.5
205.05089	0.4
211.03952	0.5
213.01865	0.6
215.03404	1.3
216.00659	0.8
226.02655	1.1
227.03441	5.3
228.04031	0.8
242.02188	2.9
243.02939	22.4
244.03609	2.1
245.06551	0.8
254.02090	1.2
255.02960	17.7
256.03351	1.1
257.04578	3.2
259.06067	0.7
265.09216	0.7
268.03754	0.3
269.04578	0.8
270.01648	1.9
270.04279	0.8
271.02457	41.4
272.03036	5.9
283.02267	0.4
284.03134	0.8
285.04092	5.2
285.07492	0.9
286.04657	1.3
286.07404	1.6
287.05084	1.5
299.01956	27.7
300.02722	40.4
301.03082	1.6
301.07043	0.9
313.03494	0.6
314.04312	31.4
315.05078	100.0
316.05435	4.5
316.15588	0.5
343.13306	0.4
357.06161	0.6
427.19876	0.6
428.20093	0.5
447.09290	0.6
459.09427	0.3
463.12619	0.5
471.18420	1.0
472.18793	0.6
473.12964	0.5
473.19839	1.0
477.10370	23.7
478.10883	1.5
490.13156	0.5
491.13635	0.6
519.11401	14.3
520.11774	0.8
547.14441	1.4
559.14417	2.0
561.12488	10.1
562.12610	0.5
577.15472	0.4
585.12634	1.3
593.18579	1.3
595.21155	0.4
600.01025	0.3
603.13239	1.3
613.75830	0.4
749.82324	0.3
765.18597	0.5
1066.39880	0.4
1067.26367	19.4
1068.27173	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	1057.7351
Annotation	Unknow
Peak:m/z	Relative Intensity
97.06461	1.2
98.19756	0.3
99.04391	12.4
109.52149	0.4
115.35472	0.3
121.10117	1.2
135.58289	0.3
137.09581	0.3
149.09624	8.5
150.09998	0.3
165.12718	0.7
222.10805	0.3
275.23792	7.3
276.24289	0.4
301.21695	9.8
302.21957	0.7
319.22763	5.8
401.26938	100.0
402.27240	8.2
459.44617	0.4
545.15057	0.3
549.30646	0.3
597.41608	14.1
598.41840	1.5
655.45709	7.8
656.46259	1.2
1057.63391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
80.59688	0.2
83.01261	1.9
84.01166	0.1
85.02809	1.6
87.00740	0.2
89.01772	0.2
89.02318	3.4
95.01260	0.6
98.19854	0.4
101.02319	6.6
109.79826	0.2
113.02326	3.0
117.03324	5.0
119.03372	1.5
125.02328	0.2
131.01306	1.1
131.03398	0.7
135.04420	0.2
143.03363	0.6
149.04445	1.9
155.03374	0.2
161.02284	0.5
161.04437	2.4
163.03889	0.5
173.00940	0.3
173.02357	3.3
175.00281	5.8
176.00548	0.3
191.03389	0.2
193.06477	0.3
203.05461	0.4
221.06497	1.1
223.06017	0.2
237.05592	0.3
249.05598	0.9
251.03369	0.2
265.04926	0.4
268.03909	0.3
269.04547	1.9
281.04474	1.9
282.05316	1.7
283.06128	3.0
284.06430	0.2
291.06616	0.3
292.03723	0.2
293.04535	85.7
294.04922	4.9
295.06104	0.7
297.10748	0.2
303.84320	0.2
306.05453	0.2
307.05777	0.2
310.04828	0.2
311.05566	5.7
312.05917	0.3
314.04251	1.0
322.75375	0.2
323.05515	1.9
323.72467	0.2
325.07205	0.2
335.05417	1.5
337.03287	0.3
341.06628	1.5
353.06647	0.5
413.08755	23.7
414.09076	1.6
473.10745	1.5
593.15051	100.0
594.15387	8.8
861.51770	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.7192
Annotation	Unknow
Peak:m/z	Relative Intensity
97.06458	0.7
99.04391	9.1
116.92726	0.3
147.08096	0.3
149.09631	1.3
165.12732	0.6
268.60211	0.2
275.21432	0.1
275.23755	7.0
276.24094	0.7
301.21719	9.0
302.22003	0.5
319.18970	0.3
319.22748	7.3
320.23068	0.5
357.27902	0.4
393.69568	0.2
401.26917	100.0
402.27246	7.8
523.37604	0.4
524.37775	0.2
535.37396	0.2
579.40033	0.2
595.39893	0.5
605.41925	1.1
606.42975	0.2
613.32690	0.2
623.43176	0.6
653.44189	3.2
654.44617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02810	1.1
81.03307	0.3
83.01247	0.8
85.02818	1.3
85.04943	0.3
85.72004	0.3
87.00775	0.3
89.02276	0.2
90.54185	0.3
91.01762	0.5
93.03316	1.3
95.01245	1.0
101.02326	1.5
101.91637	0.3
102.34921	0.3
107.01248	1.7
108.02048	29.8
109.02847	10.4
113.02317	1.1
119.01254	1.1
119.04891	1.1
121.02850	1.4
123.00739	0.5
123.76998	0.3
125.02287	0.4
132.02049	0.7
133.02823	0.3
134.03578	0.3
135.00749	1.5
135.04402	0.8
137.02318	0.3
138.03079	0.3
143.04984	0.5
147.00745	0.8
148.01552	0.6
149.02339	2.9
150.03119	1.1
151.00264	3.4
151.03914	0.6
152.01054	32.9
153.01846	7.7
161.02354	0.5
161.04413	0.6
163.00262	1.1
163.03894	1.0
164.04733	1.6
164.39331	0.2
165.01823	1.0
165.05434	0.4
166.02621	0.4
167.03387	0.5
171.04390	0.3
175.00282	5.3
175.03815	0.3
176.01065	6.3
177.01758	0.7
179.06979	0.4
181.04851	0.3
182.60492	0.3
183.04425	0.3
185.05959	1.0
187.03879	1.1
189.31494	0.3
190.02635	12.4
191.03418	8.7
192.03711	0.4
194.02071	0.4
195.04495	0.3
199.03917	0.5
205.04993	8.0
206.05399	0.4
207.02911	0.2
209.04459	1.6
211.03909	1.1
213.05550	0.5
213.07475	0.3
223.05968	1.2
227.03444	9.7
228.03999	0.5
229.05023	4.0
239.03435	0.6
240.04181	0.4
241.04922	0.6
241.14331	0.6
243.02881	0.7
255.02954	23.2
256.03482	1.7
257.04529	2.0
258.05203	0.3
267.02881	0.5
269.04468	0.5
271.02823	0.3
271.05957	1.4
272.06671	0.4
283.02402	0.4
283.15646	0.3
284.03253	29.9
285.04010	36.1
286.04468	1.5
315.07187	7.0
316.07730	0.3
327.04611	0.3
353.08768	1.5
367.10309	0.4
371.20795	1.4
389.21558	1.3
429.21252	0.4
431.22910	2.8
447.09427	0.6
474.07788	0.3
489.10367	59.6
490.10791	4.6
506.10245	0.4
520.12048	0.3
521.12976	100.0
522.13318	7.0
579.17261	3.9
580.17554	1.4
581.17938	0.5
639.53510	0.3
705.12231	0.3
916.56195	0.3
1055.35071	0.4
1094.06665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02816	10.8
83.01258	7.5
85.02815	6.5
87.00729	1.1
89.02316	5.5
93.03329	2.7
95.01253	1.3
97.02861	0.6
99.00743	1.4
101.02316	16.6
103.00990	0.5
107.01263	9.5
108.02065	1.0
113.02327	8.8
119.03500	2.6
119.04913	16.6
125.02303	3.3
131.03357	1.6
136.01550	0.7
137.09589	0.6
143.03389	1.9
143.04929	0.6
145.02870	2.5
149.04486	3.2
149.05551	0.6
151.00270	47.6
151.11209	0.8
152.00671	0.9
153.09048	0.6
159.02939	1.4
161.04454	8.7
163.03922	0.6
165.01797	1.5
169.01363	0.9
175.00316	1.5
177.01852	3.7
179.10681	2.7
183.53580	0.6
185.05952	1.2
187.03920	1.3
193.01311	1.3
198.44722	0.5
203.05518	1.4
205.12163	0.6
206.12544	0.6
207.13782	0.9
221.06612	2.0
223.13356	3.7
224.13713	1.6
225.14854	1.4
227.03453	0.7
227.07008	1.6
235.02461	1.8
241.14406	1.4
245.19704	0.6
265.09277	1.0
269.04446	2.0
271.06094	33.2
272.06451	2.1
283.15475	0.8
284.03217	1.6
285.04083	1.6
298.61212	0.6
313.07132	1.1
339.07291	0.8
346.18423	0.6
369.19073	4.7
387.20224	14.3
388.20578	0.7
428.19846	0.6
429.21249	25.7
430.21609	2.7
441.14111	0.6
459.11557	5.1
472.51349	0.6
489.10394	2.3
521.13672	0.6
557.04266	0.6
577.16034	1.1
579.17139	100.0
580.17480	9.9
581.17926	2.3
641.59302	0.7
918.16962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02816	10.8
83.01258	7.5
85.02815	6.5
87.00729	1.1
89.02316	5.5
93.03329	2.7
95.01253	1.3
97.02861	0.6
99.00743	1.4
101.02316	16.6
103.00990	0.5
107.01263	9.5
108.02065	1.0
113.02327	8.8
119.03500	2.6
119.04913	16.6
125.02303	3.3
131.03357	1.6
136.01550	0.7
137.09589	0.6
143.03389	1.9
143.04929	0.6
145.02870	2.5
149.04486	3.2
149.05551	0.6
151.00270	47.6
151.11209	0.8
152.00671	0.9
153.09048	0.6
159.02939	1.4
161.04454	8.7
163.03922	0.6
165.01797	1.5
169.01363	0.9
175.00316	1.5
177.01852	3.7
179.10681	2.7
183.53580	0.6
185.05952	1.2
187.03920	1.3
193.01311	1.3
198.44722	0.5
203.05518	1.4
205.12163	0.6
206.12544	0.6
207.13782	0.9
221.06612	2.0
223.13356	3.7
224.13713	1.6
225.14854	1.4
227.03453	0.7
227.07008	1.6
235.02461	1.8
241.14406	1.4
245.19704	0.6
265.09277	1.0
269.04446	2.0
271.06094	33.2
272.06451	2.1
283.15475	0.8
284.03217	1.6
285.04083	1.6
298.61212	0.6
313.07132	1.1
339.07291	0.8
346.18423	0.6
369.19073	4.7
387.20224	14.3
388.20578	0.7
428.19846	0.6
429.21249	25.7
430.21609	2.7
441.14111	0.6
459.11557	5.1
472.51349	0.6
489.10394	2.3
521.13672	0.6
557.04266	0.6
577.16034	1.1
579.17139	100.0
580.17480	9.9
581.17926	2.3
641.59302	0.7
918.16962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02814	0.6
83.01256	0.5
85.02824	1.1
86.64935	0.3
89.02282	0.7
96.68972	0.3
101.02310	1.4
103.03909	0.5
107.01243	0.7
108.02047	0.4
111.00812	0.6
113.02320	1.1
119.04877	1.3
125.02287	0.5
143.03328	0.5
149.02303	0.5
151.00275	1.8
152.01068	0.4
158.58177	0.3
160.03925	3.6
161.04378	1.0
163.03903	2.2
165.01723	0.4
169.01302	0.7
181.04962	0.4
183.04416	0.4
190.02534	0.5
199.03879	1.4
215.03497	0.8
226.02596	0.5
227.03435	2.5
242.02141	1.5
243.02937	10.1
254.02058	0.6
255.02940	8.7
256.03519	0.9
257.04553	1.9
265.09137	0.5
269.04520	2.1
270.01645	1.4
271.02444	24.1
272.03085	2.5
275.73572	0.4
285.04019	3.6
286.04718	0.8
287.05573	0.5
299.01944	21.2
300.02710	31.4
301.03180	1.8
314.04312	17.9
315.05072	46.0
316.05341	2.0
331.17581	1.0
373.18524	2.4
429.21121	0.4
577.14862	0.5
623.16089	100.0
624.16443	8.2
1041.36475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99218	0.4
78.54169	0.2
83.01312	0.4
85.02821	7.9
87.00307	0.2
87.00804	0.7
89.02315	4.9
89.03879	0.2
93.03366	0.2
95.01292	0.3
99.04427	0.4
101.02317	4.6
103.03886	18.5
104.04272	0.3
106.12676	0.2
107.01312	0.7
113.02334	2.5
117.03339	1.2
117.05512	0.3
119.01392	0.3
119.03381	2.9
121.02854	1.7
132.02118	0.3
132.28183	0.2
135.04463	0.5
137.02280	0.2
143.03452	0.5
145.05063	0.8
147.00874	0.2
147.04427	0.9
149.02339	10.8
150.03084	0.5
151.00316	0.7
151.03914	0.2
152.01190	0.2
159.04491	0.5
159.99609	0.2
161.02428	0.4
161.04504	0.4
163.03906	1.3
164.04691	10.2
165.05455	0.5
166.02707	0.3
169.05118	0.2
169.06541	0.2
171.04723	0.2
173.02385	0.3
175.00261	2.0
176.01033	1.2
177.05551	0.5
178.06342	0.3
179.03632	0.2
179.05553	0.6
179.07114	1.8
181.04910	0.2
181.06480	0.3
183.04433	0.2
190.02643	8.4
191.03415	3.9
192.03862	0.2
193.01335	0.2
194.02126	0.2
196.05280	0.3
197.06068	0.4
200.04756	0.2
201.05521	0.3
203.07173	0.2
204.04332	0.2
205.04994	12.1
206.05739	3.5
207.02841	1.1
207.06337	0.3
208.03751	0.9
209.04485	0.3
211.03944	0.2
221.08134	4.1
222.05362	0.7
223.06058	15.0
224.06665	0.3
225.05669	0.5
235.02530	0.3
237.07610	1.9
239.03513	0.4
240.04317	0.6
247.06125	0.3
250.04776	1.2
265.07132	5.1
265.09354	48.1
266.07593	0.1
266.09744	1.5
268.00742	0.2
268.01309	0.1
268.03751	11.9
269.04529	67.2
270.04886	3.2
283.40903	0.2
295.08105	1.1
307.08099	0.2
311.05585	0.3
325.09186	2.1
367.10379	0.6
413.08685	0.4
456.12967	0.5
471.15024	100.0
472.15378	8.6
501.56915	0.2
577.15564	36.9
578.15924	3.2
630.99878	0.2
997.08044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.7132
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	2.3
71.04877	0.3
72.02031	1.2
73.02789	0.4
81.03331	0.4
83.04897	0.3
87.04385	14.6
95.04922	0.4
99.04348	0.5
109.06464	0.5
111.50048	0.3
139.07526	1.6
141.12747	0.4
153.09090	0.9
155.14319	3.6
165.02963	0.3
169.15897	2.0
170.70169	0.3
171.96043	0.3
183.17413	0.7
215.47449	0.3
261.22162	0.4
263.23785	10.2
264.24347	0.4
271.24271	1.1
277.25391	2.2
279.23218	2.5
289.25360	5.3
290.25714	0.6
291.23172	0.4
305.24869	0.8
307.26410	100.0
308.26749	7.4
321.24243	0.6
351.25369	19.1
352.25830	1.2
379.28857	0.3
443.15512	0.4
502.38971	0.3
551.86853	0.3
713.89856	0.3
791.28052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	4.6
71.01551	0.4
72.99187	0.5
73.02822	2.2
83.01262	2.7
85.02820	2.5
85.76717	0.4
89.02354	1.3
93.03356	1.4
95.01292	0.8
97.02834	0.4
98.19874	0.5
99.04414	0.4
101.02322	4.4
103.03931	0.7
107.01283	2.9
108.02084	1.3
109.02872	0.7
113.02343	2.7
117.03417	0.4
119.03410	0.9
119.04919	1.9
121.02863	0.9
123.00812	0.5
123.04430	0.5
124.01563	0.8
125.02331	3.6
127.54076	0.4
135.00754	0.5
135.04489	0.5
137.02365	1.0
139.00262	0.5
143.03430	0.8
145.02879	1.0
148.01604	0.8
149.02347	0.8
149.99568	0.5
150.03090	0.7
151.00273	8.4
151.89767	0.4
152.01039	1.3
153.01828	0.7
159.04404	0.7
160.03964	0.5
161.02295	0.8
161.04433	0.9
163.00287	1.8
163.03964	0.5
164.01070	1.1
165.01839	1.3
165.05424	0.8
167.03256	0.5
169.01326	1.0
175.03935	0.6
177.01831	0.7
181.04953	0.5
183.04440	1.6
187.03935	0.6
189.01852	0.5
190.02711	1.4
195.06607	0.7
199.03893	4.0
200.04646	1.1
201.01845	1.1
202.02597	0.4
203.03477	1.3
204.04222	0.5
205.04996	1.6
211.03972	0.8
213.01833	0.4
215.03467	1.6
216.04178	0.4
226.02654	0.9
227.03436	13.8
228.04100	1.4
241.05051	0.5
242.02213	2.1
243.02968	22.1
243.06601	35.4
244.03612	2.7
244.06932	2.0
245.04401	0.5
245.08371	0.5
254.02313	1.1
255.02942	19.4
256.03503	1.6
257.04465	2.5
260.06638	0.5
261.07648	2.2
265.09265	1.0
268.03781	1.0
269.04504	4.4
270.01694	2.9
270.04410	0.7
271.02463	45.1
272.03043	6.1
272.18930	0.4
283.02591	1.1
284.03223	1.0
285.04108	6.9
285.07407	0.7
286.04807	1.9
287.05530	2.2
289.22998	0.4
299.01947	32.7
300.02713	49.2
301.03088	3.8
313.03519	1.0
314.04297	36.5
315.05072	100.0
316.05460	5.0
323.85822	0.4
357.06210	1.3
373.18823	0.5
405.11929	1.0
423.07254	1.0
423.12927	18.2
424.13385	0.9
463.09235	0.5
465.13959	15.1
466.14355	1.1
477.10318	20.7
478.10495	1.5
497.20178	1.3
505.17319	0.5
506.17645	0.5
507.14941	2.3
519.11438	13.9
520.12195	0.9
531.14740	0.5
549.16071	1.8
559.14459	2.0
561.12396	8.1
577.15344	0.9
585.12085	0.9
603.13391	0.7
609.17212	0.9
609.25647	1.1
711.21448	3.9
1027.26843	30.6
1028.27600	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	1023.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01228	0.2
85.02824	0.2
85.06452	0.8
87.04385	3.4
88.37171	0.1
89.02357	0.2
95.04920	0.3
97.06448	0.3
98.19764	0.2
101.02337	0.1
105.06960	0.3
107.04889	0.2
113.02338	0.1
119.04907	0.5
121.02811	0.2
121.06480	0.2
122.03577	0.1
125.05975	1.1
133.10103	0.9
135.04424	1.1
136.05167	0.2
137.05995	0.2
147.04422	0.7
149.05980	3.0
150.06819	0.6
151.00262	0.2
151.07558	0.5
153.05443	0.1
160.05209	0.3
160.08844	0.1
161.02386	0.1
161.05984	1.3
162.06789	0.5
163.07532	0.5
171.14081	0.1
173.06041	0.3
174.03171	0.2
175.03964	0.3
175.07555	4.3
176.04747	0.7
176.08305	1.6
177.05594	0.6
177.09123	5.9
177.10672	0.3
178.09433	0.3
179.10718	0.2
185.05946	0.2
187.04053	0.2
188.04712	1.2
189.05490	1.7
189.09129	0.3
190.06229	0.2
191.03545	0.1
191.10651	0.3
192.04131	0.2
201.09157	0.5
202.06290	0.4
203.07019	1.0
203.08784	0.1
203.09082	0.1
203.10666	0.7
203.14386	0.4
204.07849	2.6
205.08591	1.1
205.12280	0.4
213.09190	0.3
214.09949	0.4
215.10594	0.2
217.12267	1.5
218.09346	0.6
218.12851	0.1
219.10226	0.7
219.13837	0.8
220.10989	4.6
221.11700	0.5
227.10690	0.1
229.08597	0.4
229.12285	2.4
230.12646	0.2
230.50952	0.1
231.10219	8.9
232.10670	0.4
233.04510	0.1
233.11821	1.0
235.13348	0.8
243.10135	0.2
243.13879	0.2
244.11028	0.7
245.08171	1.9
245.11703	0.6
246.12579	1.4
247.13365	15.0
248.06784	0.2
248.13692	0.9
257.15472	0.1
259.13324	0.6
261.11456	0.2
261.14966	0.7
264.10022	1.3
269.04562	0.3
269.15466	0.2
271.13474	0.3
273.11325	2.4
274.11896	0.3
275.16537	0.9
277.14597	0.2
287.13199	0.2
287.16476	1.7
289.14520	0.8
291.12344	0.3
303.15866	0.3
305.17569	20.9
306.17960	1.2
331.15488	5.9
332.15710	0.4
345.06339	0.2
349.16537	100.0
350.16858	6.8
389.80029	0.1
511.21832	30.1
512.22174	3.1
914.62183	0.1
946.23602	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	1019.6662
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	2.6
71.04888	0.5
72.02027	0.9
72.91454	0.4
73.02830	0.7
77.23273	0.4
87.04383	15.3
97.06441	0.6
98.19821	0.5
99.04398	0.6
109.00839	0.4
109.06443	0.4
139.07536	1.7
145.87326	0.4
153.09094	0.7
155.14278	3.1
169.15898	1.9
195.91667	0.4
201.70575	0.5
231.62550	0.4
234.44434	0.4
243.24205	0.4
263.23749	9.8
271.24280	1.3
277.25287	2.1
279.23386	2.5
289.25369	6.5
305.24942	0.6
307.26398	100.0
308.26840	6.0
321.24091	0.6
351.25345	11.2
352.25726	1.1
462.76160	0.5
485.04572	0.6
597.85681	0.4
630.72943	0.4
657.17883	0.5
991.29102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	3.9
72.99184	0.2
73.02810	0.2
83.01279	0.4
85.02820	6.8
86.03159	0.1
86.78182	0.1
87.00768	0.4
89.02314	4.5
89.03826	0.2
95.01260	0.3
99.00737	0.1
99.04373	0.3
101.02319	3.6
103.03888	14.8
104.04219	0.2
107.01266	0.5
109.02822	1.0
111.00791	0.1
113.02334	2.0
114.01057	0.1
117.03345	1.1
117.05458	0.2
119.03394	1.9
119.04913	1.0
121.02859	0.3
125.02313	0.2
131.03412	0.2
132.02060	1.3
133.02855	0.9
134.03629	14.2
135.04329	0.4
135.31903	0.1
136.01598	0.3
137.02342	0.4
143.03435	0.2
145.02863	0.1
145.04961	0.6
147.04445	1.0
148.05156	0.8
149.04666	0.2
149.05986	2.1
151.00278	2.4
151.03917	0.2
158.03665	0.3
160.01567	7.8
161.02361	2.5
161.04449	0.3
162.06711	0.1
163.03941	0.2
163.07579	0.2
165.01953	0.1
173.06067	0.5
174.03146	0.2
175.03922	12.3
176.04692	4.0
177.01872	0.8
178.02669	1.0
179.03441	0.1
179.05495	0.5
191.07054	4.9
192.04158	0.4
192.07399	0.2
193.04984	13.0
193.08592	0.8
194.05345	0.6
205.05168	0.1
207.06570	1.5
217.05026	0.2
219.06763	0.1
220.03694	0.8
235.06076	7.9
236.06458	0.4
241.14500	0.2
247.08226	0.3
265.09280	41.2
266.09647	1.5
269.04587	0.3
270.04785	0.1
271.06082	1.9
283.15500	0.2
295.08255	2.1
296.08823	0.1
337.09229	0.6
355.10141	0.2
409.11594	0.1
423.13043	0.2
441.13986	100.0
442.14328	9.1
443.15182	0.1
459.11276	0.3
578.15845	0.1
579.17120	6.0
580.17383	0.6
597.06219	0.1
643.80072	0.1
815.52814	0.1
854.54053	0.1
888.87018	0.1
1035.69824	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	1009.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03648	0.3
71.01251	5.1
71.52579	0.3
72.99210	0.2
73.02812	3.2
75.00730	0.2
81.03330	0.3
83.01258	0.7
85.02818	3.3
85.03295	0.3
87.00739	0.5
87.04384	3.0
89.02299	1.1
93.03336	0.2
95.01256	0.4
95.04903	0.5
97.02821	1.3
97.06447	0.2
99.04376	0.2
101.02313	3.3
109.06456	0.9
110.91431	0.2
111.04401	1.0
113.02332	1.9
119.03365	0.4
121.02786	0.3
121.06506	0.2
122.03624	0.3
123.04414	0.2
123.08053	0.8
125.02354	0.2
125.05991	0.2
131.03372	0.3
135.04401	0.2
135.08054	0.9
136.05170	0.4
137.05994	0.3
137.09590	0.4
138.06755	8.7
139.07605	0.4
143.03412	0.5
147.00723	0.2
147.08096	0.4
149.02362	0.9
149.04456	0.3
151.07516	0.3
151.11127	0.4
152.01056	0.2
152.08223	0.3
153.09113	21.4
154.09465	0.8
155.10689	0.4
161.04440	1.9
161.05664	0.2
163.11189	1.5
164.04674	0.8
165.05388	0.2
167.07034	0.4
169.12306	0.3
175.00244	0.7
179.05421	0.2
180.07779	0.2
181.12323	0.3
183.13770	0.3
187.11221	0.5
190.02608	2.0
190.09932	0.3
203.05510	1.8
205.05008	1.8
205.12279	4.1
206.05460	0.2
206.12657	0.3
209.11774	0.2
211.13324	0.7
221.06548	0.4
221.11783	0.2
223.06110	1.2
223.13345	3.9
224.13620	0.2
231.08627	1.5
241.14409	100.0
242.14740	4.8
265.07071	0.8
265.14398	0.2
327.08804	0.3
340.39728	0.2
367.17822	0.3
385.18613	2.7
403.19629	1.0
427.19763	0.6
445.20752	11.9
446.21072	1.2
446.85349	0.2
489.16592	0.2
519.17035	5.0
520.17365	0.4
666.80920	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.6871
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	2.9
80.96365	1.4
82.16817	1.2
87.04383	13.0
98.20567	2.5
112.62383	1.2
125.79818	1.2
139.07533	2.4
155.14325	2.7
169.15938	1.3
206.60254	1.3
250.34166	1.6
263.23801	9.0
277.25244	2.1
279.23267	3.0
289.25296	4.6
305.24780	1.7
307.26410	100.0
308.26767	5.8
351.25372	14.3
717.07660	1.3
761.17529	1.8
1003.60693	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	1009.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01244	0.5
83.04877	0.3
85.02849	0.7
85.85977	0.3
87.04373	0.7
89.02317	0.4
91.01768	1.8
93.03326	1.0
101.42754	0.3
107.01262	0.8
109.02811	0.4
116.54191	0.3
117.03409	0.3
125.02343	0.3
135.00778	2.1
135.37688	0.3
143.04910	0.3
151.00279	1.7
152.01025	0.3
153.01811	0.6
155.04955	0.4
157.06381	0.3
159.04427	0.5
160.03964	0.4
163.00256	1.4
164.01079	0.4
165.01825	0.5
167.03432	3.2
169.06508	0.4
183.04356	0.4
185.06023	1.0
187.03983	1.4
189.05466	0.3
195.04485	0.5
197.05963	0.4
199.03912	0.5
211.03964	1.1
212.85858	0.3
213.05577	0.9
227.03448	14.0
228.03833	0.9
229.05019	6.5
230.05359	0.3
237.14912	0.9
239.03424	1.2
240.04121	0.5
241.05002	0.6
243.02902	0.4
255.02963	27.6
256.03519	2.9
257.04529	3.4
269.04556	0.5
284.03250	38.6
285.04016	48.3
286.04346	2.4
287.93741	0.3
327.05084	0.7
371.09869	0.3
593.15094	100.0
594.15436	9.2
1017.60748	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99805	0.6
69.03433	2.1
70.06574	0.7
70.12457	0.6
70.12836	0.3
71.01346	0.5
71.04984	0.7
71.98622	0.2
74.96085	0.2
76.03143	0.3
77.03920	0.6
79.05482	0.7
81.03421	1.2
81.07042	0.6
83.04984	2.0
85.02915	1.1
89.03914	0.7
91.05478	20.0
92.05801	0.3
93.07018	0.6
95.05000	0.9
95.08574	0.4
97.02886	0.6
97.10168	0.2
98.21479	0.2
98.31435	0.2
99.04433	1.0
100.11275	0.3
103.05434	0.5
105.03394	0.5
105.07024	0.7
107.01337	0.2
107.04951	0.4
107.08584	0.4
109.02868	0.7
109.06529	0.3
109.10170	0.3
111.00861	0.2
111.04441	2.0
115.05470	0.2
117.06983	0.2
118.04132	0.4
119.04939	32.1
120.05244	0.2
121.02883	1.4
121.06473	0.3
121.10122	0.4
123.04449	0.3
125.05975	0.2
127.03916	0.6
129.03337	0.4
129.05510	0.3
129.06950	0.2
131.04906	0.6
132.02065	1.5
133.02818	0.6
133.06436	0.2
135.04407	0.5
135.08067	0.2
135.11705	0.3
136.05161	0.5
137.05962	0.5
143.08562	0.2
145.02873	2.0
145.10071	0.2
147.04407	26.4
148.04797	0.3
149.02391	1.2
149.06015	0.2
150.03116	0.2
151.03926	0.4
153.01825	5.4
153.05737	0.2
157.03970	2.1
157.06479	0.2
159.04282	0.2
159.11723	0.2
160.07599	0.3
161.06035	0.3
161.09543	0.2
162.03154	0.2
163.03912	0.9
164.04704	0.9
165.07193	0.2
165.09059	0.3
167.07076	2.3
167.08453	0.3
171.02916	2.2
173.05978	0.3
174.03117	0.3
175.03905	46.9
176.04219	0.9
177.05553	0.2
179.07005	2.4
181.04919	0.4
184.16907	0.2
187.03835	0.3
191.06967	0.3
192.04153	0.8
193.08577	0.3
197.06035	0.3
203.07059	0.6
207.06523	100.0
208.06833	1.5
210.04994	0.2
210.14978	0.4
213.09113	0.3
219.06531	0.4
225.05550	1.0
225.07387	0.2
229.04933	0.4
229.08566	0.2
233.08066	0.2
235.05959	0.4
237.07570	0.4
241.08551	0.5
243.06450	0.3
247.06027	0.2
247.09793	0.3
257.08035	0.2
271.06003	98.6
272.06332	1.9
273.11276	0.8
283.06046	0.3
284.06699	0.2
285.07513	0.3
289.10660	0.2
291.12283	0.2
293.10095	0.2
299.09088	0.7
313.07007	0.7
317.06958	0.2
317.10190	1.1
335.11224	0.3
337.07129	0.2
351.10733	0.9
353.12320	11.2
354.12613	0.3
369.11853	1.3
559.17749	0.3
606.82910	0.2
639.17169	1.1
705.31366	0.2
721.22028	0.5
990.71094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88194	2.1
69.88603	0.9
70.10568	0.4
101.50048	0.4
171.69611	0.4
175.03958	1.2
187.03918	0.5
194.80983	0.4
207.88145	0.5
267.90454	0.4
397.13184	1.1
410.13672	1.2
411.14557	3.0
412.15442	2.4
413.16223	1.4
424.11038	1.0
424.16135	1.0
425.16315	5.4
426.16983	4.3
427.17279	0.6
428.18823	0.6
438.12344	0.9
439.13199	5.4
440.19104	3.1
441.19284	20.4
442.19443	1.6
451.18161	0.5
452.14883	1.0
453.15152	7.0
454.16095	2.4
463.14166	0.5
467.17178	15.5
468.17783	7.1
469.18759	9.3
481.14767	11.5
482.15298	2.8
495.16940	1.8
496.17291	6.6
497.18439	2.3
499.16245	0.8
508.19943	0.7
509.18530	1.5
510.21286	0.5
511.18967	0.7
514.22467	0.8
522.17944	0.8
523.19543	1.1
527.23871	0.9
545.24310	0.5
551.19208	0.6
555.22430	15.7
556.22571	1.1
583.21875	100.0
584.22137	11.4
585.22089	0.7
587.25165	0.6
611.21185	1.5
615.24420	6.4
643.23962	49.5
644.24225	4.5
645.24139	0.9
913.36707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6098
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	4.8
69.07063	12.2
71.04989	2.4
71.08578	1.6
71.45055	2.9
73.02881	2.5
79.05490	48.2
81.03398	2.2
81.06596	3.7
81.07053	57.2
81.07531	3.7
82.07364	1.9
83.08607	7.3
83.69450	1.5
85.02914	9.9
85.06512	4.0
91.03938	6.9
91.05480	37.0
93.07038	55.3
95.04953	6.2
95.08601	44.1
97.02882	8.6
97.06519	5.2
97.10185	3.3
99.04426	2.0
99.08062	2.4
105.04498	2.9
105.07021	32.5
106.93906	1.5
107.08587	30.8
109.06506	3.4
109.10160	16.4
111.08067	3.2
117.03311	1.6
117.06998	11.5
119.08582	28.0
121.10143	27.8
123.08051	2.6
123.11686	5.0
127.03928	2.5
129.07001	4.7
131.08556	22.9
133.10118	23.3
135.11667	15.5
137.09631	2.8
143.08560	2.7
145.04918	3.1
145.10109	18.4
147.11705	14.2
149.09584	2.4
149.13252	8.9
157.10141	6.0
159.11682	12.7
161.13251	10.2
163.14801	3.7
167.06447	1.7
169.10118	2.7
171.11694	7.0
173.13228	8.8
175.14789	4.0
185.13263	6.6
187.14807	8.3
199.14856	4.3
201.16356	2.3
205.15854	2.2
217.16061	1.8
218.24284	1.5
219.17416	2.3
241.19456	9.1
259.20578	21.7
261.22217	8.1
277.21646	17.3
279.57019	1.6
293.21149	3.2
333.24268	17.0
335.25781	100.0
336.25995	4.9
337.27432	2.8
351.25272	35.8
495.29401	1.8
529.38641	4.3
593.45612	2.5
611.46631	57.5
612.46204	4.6
774.60083	2.1
847.02917	2.0
970.40973	2.0
970.57867	18.0
971.58606	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	965.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	2.2
68.52768	0.2
69.07066	15.5
70.29081	0.3
70.29453	0.7
71.04976	0.4
71.08629	4.4
72.81434	0.2
73.06528	0.2
75.04462	0.3
75.10956	0.2
79.05481	1.9
81.07046	3.0
83.04980	0.3
83.08616	15.3
85.06564	0.2
85.10177	1.8
85.29671	0.2
91.05486	0.3
93.07030	2.2
95.08605	2.2
97.06529	1.6
97.10162	11.3
98.98461	5.3
105.06973	0.2
107.08594	1.7
109.10165	1.1
111.08062	0.6
111.11710	2.5
115.07510	0.2
116.99516	0.2
121.10135	2.4
123.11700	0.6
125.09634	0.3
125.13274	0.5
135.11676	1.8
137.13248	0.3
139.11191	0.3
139.14777	0.3
149.13249	0.9
153.12706	0.3
155.01033	2.4
163.14822	0.4
173.02084	0.6
175.03804	0.3
181.15742	0.2
187.85219	0.1
196.51410	0.2
205.07632	0.2
219.21078	0.5
229.04726	0.3
237.22144	0.7
247.05754	0.7
307.40302	0.2
311.25781	100.0
312.26163	2.0
391.22232	0.4
447.25107	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	963.276
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	0.2
68.99767	0.3
69.03439	1.2
69.19547	0.1
69.47678	0.3
69.48094	0.9
70.06580	0.4
71.04596	0.2
71.04991	3.6
72.08160	0.1
73.02917	0.3
75.04455	0.2
76.03152	0.2
77.03917	0.2
79.01861	0.2
79.05480	0.3
81.03419	3.2
83.04961	0.5
84.04464	0.2
85.02904	5.4
86.09683	0.2
89.03913	0.4
91.05480	10.5
95.04943	0.3
97.02888	0.9
99.04446	0.6
103.05443	0.4
105.03365	0.6
107.04948	0.2
109.02878	1.3
111.00801	0.3
111.04449	0.3
119.04940	17.5
121.02865	4.1
127.03932	1.5
129.04597	0.1
129.05505	0.7
129.07018	0.2
129.15303	0.1
131.04955	0.3
132.02074	0.4
133.02866	0.8
133.06435	0.1
135.04401	0.4
136.05202	0.3
137.02321	0.5
137.05946	0.2
145.02859	0.7
145.06477	0.2
147.04410	17.6
149.02325	0.6
153.01819	1.6
156.53053	0.1
157.03969	1.6
157.06432	0.2
160.01434	0.2
161.05940	0.1
164.04662	0.6
165.01820	0.7
167.07039	0.2
171.02878	0.4
171.04346	0.2
175.03905	34.2
176.04243	0.7
177.05470	0.2
179.07018	1.5
181.04944	0.3
183.02896	0.4
189.05524	0.2
192.04166	0.4
193.04828	0.2
195.02681	0.1
201.05429	0.2
207.06525	100.0
208.06920	1.4
213.05476	0.6
218.05844	0.2
219.06544	0.2
225.07433	0.3
231.06573	0.5
241.04976	0.6
245.04362	0.2
258.05225	0.4
259.05978	0.1
271.06052	1.2
287.05493	60.8
288.05865	1.3
303.05023	0.2
311.05597	0.2
329.06491	0.6
342.94687	0.1
351.10715	4.7
369.11804	10.7
370.12024	0.2
433.11432	0.2
655.16602	2.9
739.94385	0.1
879.86456	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	949.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01859	0.4
67.05474	0.1
68.99775	0.4
69.03426	1.2
69.62856	0.3
70.06573	0.1
71.01350	0.1
71.04984	0.3
75.34512	0.0
77.04935	0.0
79.05485	0.1
80.29041	0.0
81.03392	0.2
81.07048	0.1
83.04979	0.4
85.02900	0.4
85.45947	0.0
91.05477	1.0
93.07040	0.1
95.04940	0.1
95.08544	0.1
97.02853	0.2
99.00814	0.1
99.04447	0.1
105.03372	0.1
105.06997	0.1
107.04959	0.1
109.02869	0.2
111.00729	0.1
111.04462	0.5
115.05486	0.0
117.07028	0.1
117.77132	0.1
119.04936	3.1
119.08582	0.1
121.02862	0.7
121.06495	0.1
125.02293	0.1
127.03905	0.2
129.01834	0.2
129.05479	0.8
131.04927	0.1
133.06519	0.1
133.10173	0.1
137.05991	0.1
141.06989	0.1
144.12447	0.1
145.02820	0.8
145.06577	0.1
147.04402	4.5
147.11664	0.1
148.04749	0.1
151.03847	0.1
153.01822	4.5
154.02180	0.1
163.03923	0.6
165.05498	0.1
167.07028	0.3
169.06456	0.1
171.02899	1.0
171.04349	0.0
173.05962	0.1
175.02501	0.1
175.03896	0.9
177.05461	0.1
181.04987	0.1
185.09579	0.1
187.03957	0.2
195.03050	0.1
197.06021	0.1
203.07019	0.2
207.06517	1.8
215.06964	0.1
225.05440	0.4
229.04901	0.4
243.06465	0.3
245.06575	0.8
247.06018	0.2
258.08798	0.1
270.05148	0.1
271.05994	100.0
272.06326	1.7
272.09384	0.1
273.07089	0.1
273.11227	0.1
283.05966	0.2
287.05539	0.3
288.05646	0.1
293.10196	1.7
295.06085	0.1
299.09079	0.0
313.07169	0.3
317.06711	0.1
325.10690	0.2
337.06976	0.1
353.12665	0.3
363.08572	0.1
369.11798	0.1
381.09766	0.2
399.10513	0.1
415.10153	0.1
433.11285	1.2
434.11902	0.1
949.27795	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.614
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	46.4
69.03426	2.6
69.07072	12.2
69.30829	9.5
69.31254	4.2
71.05006	1.5
73.02915	4.1
77.03980	1.3
77.10509	1.2
79.05066	2.3
79.05494	29.0
81.03387	1.5
81.07056	54.8
83.08617	9.4
85.02913	13.6
85.06512	1.3
91.03967	11.2
91.05482	17.8
93.06487	2.7
93.07044	37.9
95.04974	3.2
95.08607	48.5
97.02905	8.0
97.06525	2.3
97.10165	3.0
98.20818	3.1
105.07038	17.9
107.08591	21.0
109.10159	20.8
111.08049	1.9
111.11672	1.5
117.07005	5.6
119.08585	14.0
121.10140	20.9
123.08040	1.8
123.11668	8.2
127.03928	5.7
129.07002	2.9
131.08572	9.6
133.10103	13.5
135.11693	15.4
137.13197	3.1
143.08618	2.7
145.04958	5.4
145.10121	8.0
147.11685	12.3
149.13263	11.3
157.10136	2.4
159.11681	8.1
161.13255	8.1
163.06017	6.4
163.14801	5.0
171.11632	2.6
173.13275	8.7
175.14812	4.2
177.16454	3.1
185.13225	3.9
187.14825	4.6
189.16383	2.9
191.14268	1.6
199.14951	1.9
201.16278	2.0
205.15953	1.4
241.19460	4.1
241.98450	1.4
243.21109	5.5
259.20502	10.9
261.22110	16.6
263.23679	2.7
315.23212	1.8
317.24573	3.6
333.24271	7.6
335.25809	100.0
336.26071	2.6
337.27423	12.2
453.03690	1.5
521.43329	2.9
539.44312	1.8
595.47052	14.9
613.48218	24.0
812.41504	1.5
841.36230	1.5
883.24536	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6297
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	89.5
69.03439	4.0
69.07071	29.5
71.53530	5.1
73.02916	9.5
76.50015	3.1
79.05498	37.8
81.06592	6.4
81.07052	100.0
83.04964	4.4
83.08606	19.1
84.50482	3.4
85.02904	24.4
91.03947	17.4
91.05470	27.1
93.07043	54.4
95.04962	3.3
95.08612	71.6
96.04435	3.2
97.02889	10.9
97.06554	4.1
97.10155	10.2
99.08038	3.1
105.07027	22.1
107.08582	29.0
109.06454	2.9
109.10159	36.3
116.85958	3.0
117.07019	6.3
117.64071	3.4
119.08591	21.0
121.10123	31.9
123.11695	9.4
127.03928	5.5
131.08562	14.1
133.10135	18.7
135.11699	18.8
137.13234	4.9
145.04907	7.5
145.10117	8.7
147.11661	13.5
149.13347	6.6
159.11659	9.8
161.13243	10.3
163.06017	10.3
163.14818	5.8
173.13248	8.9
175.14716	4.3
177.16524	2.9
187.14767	6.3
201.16365	3.9
237.78398	3.1
243.20995	7.3
261.22177	20.3
296.11923	3.5
317.24783	5.7
333.24194	6.4
335.25815	61.2
337.27328	71.9
339.29083	4.7
358.90155	3.6
479.65305	3.4
523.44922	4.8
597.48724	33.0
615.49896	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	949.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01865	0.4
67.05509	0.1
68.99815	0.3
69.03427	1.3
70.06591	0.1
71.01331	0.1
71.04987	0.2
71.31517	0.0
71.52232	0.1
79.05485	0.1
81.03408	0.2
81.07049	0.1
83.04975	0.5
84.08157	0.1
85.02910	0.4
86.06024	0.0
91.05473	0.9
95.04990	0.1
95.08607	0.1
97.02878	0.2
97.41362	0.0
102.25304	0.1
105.07035	0.2
107.04953	0.2
107.08613	0.1
109.02873	0.1
111.04448	0.5
115.05493	0.1
119.04942	2.7
119.08559	0.1
121.02874	0.7
121.06526	0.1
123.08064	0.1
124.75990	0.1
127.03906	0.2
129.01842	0.1
129.05486	0.8
131.04892	0.1
133.10172	0.1
137.05994	0.1
141.06976	0.1
145.02835	0.7
145.06595	0.1
147.04407	4.5
148.04733	0.1
149.35475	0.1
151.03931	0.1
153.01825	4.2
153.51204	0.1
161.05981	0.1
163.03906	0.4
165.01740	0.1
165.05569	0.1
167.07013	0.2
169.05177	0.1
169.06525	0.1
171.02881	1.0
171.04272	0.1
173.05956	0.1
175.03905	0.8
177.05519	0.1
181.04951	0.1
185.05974	0.1
187.03854	0.2
195.02930	0.1
197.62085	0.1
201.05472	0.1
203.07031	0.2
207.04588	0.1
207.06519	1.8
212.16403	0.1
213.09167	0.1
225.05452	0.3
229.04973	0.2
243.06487	0.3
245.04320	0.1
245.06561	0.8
247.05966	0.1
249.07808	0.1
258.08826	0.1
271.06003	100.0
272.06317	2.1
272.10754	0.1
273.07059	0.1
273.11096	0.1
283.06021	0.2
287.05463	0.2
293.10211	1.8
295.06055	0.1
297.07382	0.1
313.06940	0.3
317.06537	0.1
325.10739	0.1
353.12717	0.3
363.08490	0.1
381.09830	0.1
387.58368	0.1
399.10339	0.1
415.10635	0.1
433.11230	1.0
949.26202	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	947.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01854	0.3
67.79297	0.1
68.99467	0.1
68.99805	0.2
69.03078	0.1
69.03422	1.1
71.04971	0.2
71.52248	0.1
81.03418	0.4
81.64127	0.1
83.04971	1.3
85.02908	0.7
89.03924	0.1
91.05478	3.9
95.04948	0.3
97.02859	0.2
99.04464	0.6
101.03968	0.1
103.05444	0.1
105.03371	0.1
105.06979	0.1
109.02880	0.2
111.04440	1.3
115.03918	0.2
118.04131	0.1
119.04935	7.8
120.05271	0.1
121.02859	0.7
123.04351	0.2
127.03863	0.3
129.01814	0.1
129.05475	0.3
131.04884	0.1
132.02095	0.2
133.02866	0.1
135.04437	0.1
136.05257	0.1
141.06964	0.1
143.03432	0.1
145.02827	0.9
145.04903	0.1
147.04402	6.0
149.02380	0.2
149.05905	0.1
151.03996	0.1
153.01825	3.1
157.03952	0.5
157.06467	0.1
161.05922	0.1
163.03868	0.5
164.04727	0.2
167.07042	1.5
169.04971	0.1
171.02885	0.9
173.05931	0.1
175.03900	14.0
176.04391	0.2
179.07034	0.6
185.06065	0.1
187.03960	0.1
189.03922	0.1
191.07048	0.2
192.04149	0.3
193.08595	0.2
196.05251	0.1
197.06004	0.2
203.07022	0.3
205.04924	0.1
207.06516	31.9
208.06902	0.4
213.09126	0.3
215.07120	0.1
219.06532	0.2
225.05417	0.3
225.07561	0.1
229.04987	0.3
229.08600	0.1
233.08009	0.2
235.05916	0.2
237.07582	0.2
241.08675	0.2
243.06531	0.3
245.11853	0.1
247.06024	0.2
247.09599	0.1
251.05580	0.1
257.08191	0.1
258.08594	0.1
270.05490	0.1
271.05994	100.0
272.06332	2.0
273.11203	0.6
275.09094	0.2
283.05945	0.3
285.07547	0.1
287.05475	1.0
289.10574	0.2
291.12344	0.1
293.10559	0.1
299.09085	0.5
313.07013	0.2
317.06726	0.2
317.10175	0.9
335.11469	0.1
337.07196	0.1
351.10760	0.6
353.12292	9.1
354.12677	0.2
362.30151	0.1
363.08612	0.2
369.11795	0.5
381.09882	0.1
433.11288	16.8
434.11749	0.4
515.17719	0.1
595.16687	0.9
637.16089	0.1
639.17084	2.2
640.17212	0.1
801.22369	0.2
826.77985	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	932.6297
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	33.4
69.03433	2.1
69.07065	11.8
69.83289	1.5
71.05008	2.5
71.08630	18.8
71.43438	1.7
71.43757	1.5
73.02921	4.1
79.05492	20.6
81.07056	43.7
83.08616	10.9
85.02908	15.4
85.10194	9.9
91.03954	10.7
91.05477	10.1
93.07048	23.7
95.05007	2.1
95.08603	36.7
97.02901	7.7
97.06527	2.3
97.10178	7.5
105.07020	9.2
107.08590	13.2
109.10150	17.1
117.06980	1.9
119.08569	7.6
121.10110	11.2
123.11699	6.1
127.03906	5.1
131.08563	6.8
133.10130	5.4
135.11684	10.9
137.13229	2.5
145.04977	5.9
145.10112	6.3
147.11679	4.6
149.13245	7.4
149.83588	2.0
151.14877	1.6
159.11696	5.9
161.13248	6.1
163.06033	7.6
163.14803	4.5
173.13261	5.2
175.14890	1.7
177.16347	1.9
187.14857	3.5
239.23698	3.6
243.21170	9.0
261.22153	36.7
261.24869	2.5
313.27347	100.0
314.27914	2.8
317.24652	6.5
329.31763	1.7
335.25803	85.5
336.26035	2.2
549.01489	1.7
573.48743	47.2
574.48993	3.4
591.49786	10.2
616.08527	1.9
724.51483	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	933.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	0.2
67.01853	0.3
67.05501	1.2
68.99786	0.2
69.03427	1.0
69.07056	0.5
69.28362	1.4
70.06577	0.4
71.01358	0.1
71.04993	4.0
72.08152	0.1
73.02908	0.3
75.04501	0.2
79.05484	1.0
81.03415	2.8
81.07058	2.9
83.04985	1.4
83.08605	0.2
84.04474	0.1
85.02901	5.3
85.06493	0.2
86.09691	0.2
87.04459	0.2
87.95813	0.1
91.05476	1.9
93.07037	0.9
95.04948	0.5
95.08601	0.8
97.02892	1.0
97.06497	0.3
99.04443	0.5
99.40404	0.1
103.05452	0.2
105.07019	1.6
107.04926	0.4
107.08583	0.7
109.02870	2.8
109.06509	0.2
109.10142	0.3
111.04453	1.0
117.07030	0.1
119.04948	1.7
119.08578	1.3
121.02870	0.8
121.10116	0.9
123.04443	0.2
123.08088	0.3
123.11697	1.1
125.02278	0.2
127.03905	2.7
127.07557	0.2
129.05495	0.7
129.07014	0.2
131.04892	0.3
131.08536	0.2
133.02802	0.1
133.06514	0.1
133.10132	0.4
135.04399	0.2
135.11729	0.1
137.05959	0.3
137.09628	0.2
145.02809	0.7
145.04915	0.2
147.04390	0.4
147.11687	3.0
148.12093	0.2
151.03926	0.3
153.01825	3.0
157.10121	0.3
161.05986	0.2
163.03886	0.5
165.05533	0.2
165.12740	1.8
167.07037	0.4
169.10138	0.2
171.02890	0.6
173.05942	0.2
175.03891	0.4
175.11157	0.3
177.05498	0.2
181.04878	0.2
183.13789	0.3
187.03896	0.2
191.10596	0.1
193.12204	0.5
195.02806	0.2
197.00864	0.2
201.05446	0.2
203.03178	0.2
205.05005	0.2
207.06511	0.6
211.13245	0.2
217.04927	0.2
219.06471	0.2
225.05357	0.3
229.04922	0.2
229.14342	1.8
233.04469	0.2
237.07567	0.2
243.06529	0.2
255.13837	0.2
263.16858	0.1
270.05307	0.2
271.06000	100.0
272.06348	2.7
272.09320	0.2
273.15131	0.2
283.05978	2.2
284.06827	0.2
285.07559	0.4
287.05527	0.2
295.06079	0.7
297.03949	0.9
297.06903	0.2
307.06018	0.2
309.07233	0.3
313.07101	1.8
315.04913	0.2
319.15399	0.4
321.07623	0.2
323.05457	0.1
323.08997	0.2
333.07547	0.6
335.09012	0.2
337.07025	0.4
337.16388	1.1
351.08646	0.3
355.17615	1.6
361.06998	1.0
363.08594	0.8
379.08154	2.7
381.09775	0.2
397.09473	0.2
433.11151	0.2
463.18320	0.2
481.20435	0.3
589.20624	0.2
607.21661	0.3
625.22815	3.5
626.22540	0.3
643.23578	0.9
644.93439	0.1
685.24799	0.3
715.24774	0.3
733.24774	1.0
751.25934	4.8
769.27045	2.3
770.27167	0.2
787.28149	3.3
788.27820	0.2
861.29224	0.3
879.29541	0.4
897.31390	0.2
933.33313	1.2
969.91809	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	920.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.0
67.05502	45.3
68.13155	0.7
69.03429	1.8
69.07066	8.2
70.42153	0.7
71.04992	16.9
71.44611	0.7
71.44941	0.9
73.02924	2.4
79.05490	25.3
81.03421	1.7
81.07052	71.0
82.10083	0.7
83.04977	3.3
83.08616	6.5
85.02897	8.8
85.06537	4.9
91.03957	4.4
91.05473	19.2
93.07038	29.0
95.04975	3.1
95.08602	20.1
97.02897	3.5
97.06535	3.1
97.10152	1.9
99.08092	0.8
105.07022	11.0
107.08591	17.2
108.24221	0.9
108.76151	0.7
109.02865	0.7
109.06530	1.9
109.10145	10.6
111.08084	2.1
113.09641	0.8
117.06989	4.4
119.08573	6.1
121.10133	16.0
123.08109	1.1
123.11691	10.4
127.03902	1.8
129.05481	0.8
131.08568	7.1
133.10120	15.4
135.11668	7.0
145.04962	2.0
145.10086	4.2
147.11720	3.9
149.13232	5.3
151.11209	4.8
157.10176	1.3
159.11710	6.1
161.13264	3.0
163.06064	1.8
169.12312	1.2
171.11635	1.6
173.13281	2.2
175.03937	2.5
177.12759	1.5
183.13828	2.4
187.13338	3.0
187.14867	1.1
195.13861	1.4
227.16412	1.2
241.08475	0.9
243.15811	1.0
244.66891	0.7
257.17474	1.7
259.20627	0.9
261.22116	1.5
269.17346	4.2
301.20087	9.3
335.25806	23.0
485.36246	2.8
503.37289	69.2
504.37656	3.0
511.38083	1.2
517.38818	3.3
529.38806	16.2
530.39130	1.0
561.41479	100.0
562.41644	3.2
595.99951	0.9
647.40955	0.8
705.44958	1.8
727.02399	0.9
920.50177	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	920.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.0
67.05502	45.3
68.13155	0.7
69.03429	1.8
69.07066	8.2
70.42153	0.7
71.04992	16.9
71.44611	0.7
71.44941	0.9
73.02924	2.4
79.05490	25.3
81.03421	1.7
81.07052	71.0
82.10083	0.7
83.04977	3.3
83.08616	6.5
85.02897	8.8
85.06537	4.9
91.03957	4.4
91.05473	19.2
93.07038	29.0
95.04975	3.1
95.08602	20.1
97.02897	3.5
97.06535	3.1
97.10152	1.9
99.08092	0.8
105.07022	11.0
107.08591	17.2
108.24221	0.9
108.76151	0.7
109.02865	0.7
109.06530	1.9
109.10145	10.6
111.08084	2.1
113.09641	0.8
117.06989	4.4
119.08573	6.1
121.10133	16.0
123.08109	1.1
123.11691	10.4
127.03902	1.8
129.05481	0.8
131.08568	7.1
133.10120	15.4
135.11668	7.0
145.04962	2.0
145.10086	4.2
147.11720	3.9
149.13232	5.3
151.11209	4.8
157.10176	1.3
159.11710	6.1
161.13264	3.0
163.06064	1.8
169.12312	1.2
171.11635	1.6
173.13281	2.2
175.03937	2.5
177.12759	1.5
183.13828	2.4
187.13338	3.0
187.14867	1.1
195.13861	1.4
227.16412	1.2
241.08475	0.9
243.15811	1.0
244.66891	0.7
257.17474	1.7
259.20627	0.9
261.22116	1.5
269.17346	4.2
301.20087	9.3
335.25806	23.0
485.36246	2.8
503.37289	69.2
504.37656	3.0
511.38083	1.2
517.38818	3.3
529.38806	16.2
530.39130	1.0
561.41479	100.0
562.41644	3.2
595.99951	0.9
647.40955	0.8
705.44958	1.8
727.02399	0.9
920.50177	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	916.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	51.4
69.03425	3.2
69.07072	12.2
69.70296	3.0
69.70697	6.7
71.05009	1.8
71.08633	25.9
73.02918	1.7
79.05494	15.4
81.03419	3.2
81.07059	22.3
83.04979	4.7
83.08618	16.6
85.02904	18.8
85.06530	2.5
85.10187	12.2
87.04463	3.3
91.03946	6.0
91.05479	6.6
93.07051	6.2
95.04972	3.0
95.08611	24.4
97.02881	5.4
97.10180	18.7
103.03955	2.0
105.03436	1.8
105.07040	2.9
105.80900	1.4
107.04957	2.0
107.08602	7.6
109.10155	46.5
111.08094	1.6
119.08599	4.3
121.10149	4.5
123.11669	2.8
125.09631	16.5
127.03938	2.2
131.08516	2.4
135.11699	1.6
137.09621	2.1
141.47409	1.7
143.10658	3.6
145.04942	1.7
155.10670	1.8
163.05977	2.0
163.11235	2.7
173.11713	12.9
179.11064	1.5
199.13313	9.7
209.11703	2.4
217.14227	1.8
227.12781	5.1
229.14357	58.0
230.14857	1.6
239.23689	5.1
257.13858	1.9
257.24826	1.9
267.15823	1.7
283.15384	2.7
297.16922	1.4
301.16455	23.5
313.27368	100.0
314.27856	3.9
341.26810	2.9
437.36365	7.5
439.81943	1.6
455.37378	13.6
464.53671	1.5
467.37305	36.3
468.37192	2.8
505.38748	1.9
539.39447	13.7
557.39825	4.2
701.44550	2.8
755.62952	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96819	0.8
67.05504	37.7
69.03422	2.7
69.07069	9.2
71.01339	1.0
71.04986	1.9
71.08632	18.3
71.52797	0.8
73.02898	2.3
79.05489	9.8
81.03399	3.4
81.07052	23.3
83.04966	3.3
83.08613	13.2
85.02904	19.5
85.06555	1.5
85.10181	12.3
87.04456	5.8
89.06020	1.4
91.03944	4.9
91.05470	4.4
93.07034	5.9
95.04950	1.9
95.08604	21.4
97.02879	5.0
97.06508	2.0
97.10166	19.3
103.03953	1.7
103.07594	1.5
105.07021	2.0
105.70509	0.8
107.04936	1.1
107.08588	8.7
109.02871	1.3
109.10155	35.3
111.08063	1.9
119.08574	3.2
121.10142	2.9
123.11698	2.6
125.09626	15.8
127.03882	2.1
131.08528	1.3
135.11690	1.4
137.09621	1.0
137.13252	0.9
139.11180	0.8
143.10646	3.2
145.04950	2.7
145.10117	2.4
153.52698	0.8
155.10635	2.2
163.05981	2.0
163.11160	2.6
173.09566	1.3
173.11751	8.5
181.12268	1.4
189.11121	0.9
191.10669	2.2
199.13257	12.9
209.11771	3.2
217.14282	0.9
223.13371	0.8
227.12805	10.9
229.14343	46.7
239.23694	4.3
257.24802	1.9
265.14459	1.2
267.15976	2.8
283.15256	4.5
301.12985	1.1
301.16437	28.8
313.27359	100.0
314.27646	2.8
319.17712	1.4
335.26044	1.1
341.26913	1.1
408.04904	0.8
432.66907	0.8
437.36163	7.3
455.37250	17.1
467.37347	29.3
468.37448	1.8
478.54465	1.0
489.34808	1.0
505.38434	1.0
521.38165	2.2
539.39447	16.1
540.39520	1.1
557.40479	4.8
721.99854	1.0
883.61591	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	3.0
67.05511	14.0
69.07069	3.0
71.05016	1.5
71.50185	1.0
71.52966	2.3
79.05508	1.3
85.06544	11.0
91.05482	4.8
93.07060	1.9
95.04976	1.4
95.08571	2.1
97.10178	0.9
105.07041	2.3
117.07001	1.3
119.04953	2.0
119.08617	1.2
121.10145	2.8
121.19846	1.2
129.07091	1.2
131.04927	4.5
147.04419	9.6
159.04387	5.8
163.03946	3.3
173.05992	2.0
175.03912	100.0
177.05469	6.4
185.09557	1.5
187.03911	28.4
187.07516	2.5
189.05458	6.6
199.03879	6.7
199.07637	1.6
201.05418	5.2
203.03430	3.0
203.07033	2.3
213.05492	3.7
213.09082	1.8
215.07037	2.2
217.08723	2.1
223.07599	1.3
225.09081	1.2
226.06262	7.1
227.07028	1.6
228.07799	3.4
229.08600	24.6
231.10117	6.4
241.08603	21.8
243.10194	21.2
247.09666	60.0
248.10214	1.7
253.08563	2.7
255.09995	5.2
257.08224	1.3
259.09656	4.5
295.13293	8.9
299.28232	1.3
313.14310	25.9
331.15405	31.2
597.73004	1.1
631.83789	1.5
684.17096	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	2.4
67.05511	11.8
69.03432	2.4
69.07075	9.0
71.04984	1.5
71.53756	1.8
79.05497	7.8
81.03405	2.0
81.07062	12.2
83.04987	3.3
83.08623	3.1
85.02899	1.3
85.06552	8.9
91.05476	12.6
93.07042	10.9
95.04972	3.4
95.08611	10.0
97.06528	3.3
97.10168	1.6
99.08138	1.3
103.05472	1.7
105.07041	12.6
107.05006	1.2
107.08590	9.9
109.06528	5.2
109.10159	3.8
111.08051	3.4
115.05476	1.9
117.07022	4.0
119.04941	4.5
119.08571	8.8
121.04565	1.3
121.06519	2.9
121.10110	8.3
123.08060	3.1
128.06187	2.8
129.07007	3.4
131.04910	8.2
131.08574	8.4
133.06514	2.1
133.10135	10.1
135.08115	1.3
135.11687	2.5
137.09622	2.0
139.07588	2.0
141.06967	2.8
142.07816	3.6
143.08511	7.1
145.06459	1.7
145.10129	9.8
147.04442	9.6
147.11678	5.0
149.09566	3.3
151.11192	1.8
155.08574	3.3
156.09326	1.4
157.10149	10.9
157.51176	1.1
159.04407	9.8
159.08086	3.8
159.11696	8.1
161.09647	5.2
161.13327	3.3
163.03883	4.2
163.11259	1.4
165.06966	1.8
167.08549	2.1
169.10135	5.1
171.04465	1.8
171.08124	1.2
171.11688	6.1
173.05972	3.6
173.09607	7.4
173.13278	4.1
175.03911	100.0
175.11209	2.8
175.14902	2.1
176.04321	2.9
177.05482	11.0
181.10190	3.7
182.10936	1.9
183.11736	3.4
184.12439	1.4
185.09654	2.9
185.13260	6.5
187.03897	35.4
187.07520	4.1
187.11238	2.6
187.14850	2.9
189.05457	13.4
191.03278	1.6
193.10097	2.1
195.11690	3.6
196.12584	1.5
197.13298	4.8
199.03947	10.5
199.07700	1.8
199.11179	2.7
199.14853	4.7
200.04698	1.5
201.05504	11.3
201.12773	2.1
203.03426	6.5
203.07100	4.0
203.10667	2.5
203.14374	4.2
205.15953	1.2
209.13255	4.0
211.11092	2.2
211.14792	4.0
211.36861	1.2
213.05438	9.8
213.09105	2.3
213.12750	1.5
215.07034	5.6
215.14276	2.9
217.08684	2.6
217.15868	3.0
221.13208	2.3
223.14767	2.9
225.16257	2.1
226.06279	9.3
227.07156	6.3
227.14287	3.3
229.08609	30.6
231.06618	1.8
231.10146	9.4
233.15443	3.0
235.14790	2.4
237.16383	1.3
241.08612	37.9
241.15843	1.2
243.10152	30.5
245.08090	15.7
245.15367	2.5
247.09666	53.0
248.15851	1.5
249.12737	1.3
249.16342	1.8
251.14529	1.3
251.17844	1.8
253.08646	3.9
253.15910	2.0
255.10187	5.1
255.17445	2.5
257.08154	4.1
259.09683	10.7
267.17426	4.4
273.11295	2.7
279.17435	1.6
283.20441	2.5
291.17520	2.1
293.19034	1.5
295.13290	15.2
307.20499	2.1
309.21991	5.8
313.14343	78.1
314.14697	2.4
325.21686	3.4
327.23212	1.5
331.15384	37.4
331.19290	2.8
333.21960	1.5
335.20044	9.3
335.23541	2.2
349.25479	1.8
359.23337	1.9
364.07428	1.4
377.24692	12.8
385.16476	13.3
389.24631	2.2
393.24112	2.1
395.25827	14.2
407.25693	15.3
407.30209	1.0
413.27258	3.7
431.29489	9.0
449.30472	24.7
463.11902	1.3
467.31604	17.0
485.32654	2.0
570.21161	1.3
707.38904	4.2
725.40100	6.1
743.41095	1.9
752.89655	1.3
779.45050	4.9
797.46344	15.9
798.45319	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	11.7
69.03413	1.6
69.07063	6.3
70.98199	2.2
71.05004	1.4
71.08626	18.5
73.02924	1.7
79.05489	8.6
81.03415	57.7
81.06599	0.9
81.07050	15.7
83.04977	3.7
83.08614	17.5
85.02911	4.8
85.06533	1.1
85.10180	10.3
91.03949	3.9
91.05481	11.4
93.07042	6.3
95.04390	0.9
95.04965	15.2
95.08602	17.6
97.02899	5.1
97.06522	1.9
97.10171	6.3
99.11685	0.8
103.07549	1.2
104.99431	0.9
105.07032	6.8
107.04944	4.3
107.08586	4.1
109.06502	2.2
109.10141	7.5
111.04397	1.6
111.08069	4.1
111.11726	1.4
115.05462	1.0
119.08576	8.1
121.06497	2.7
121.10136	4.7
123.04411	1.9
123.08088	0.8
123.11698	2.2
127.03926	1.2
129.06973	5.5
131.08562	4.3
133.06494	1.9
133.10124	2.9
135.11673	0.8
137.13214	1.3
142.07761	2.4
143.08563	0.8
145.04951	2.1
147.08038	2.8
147.11699	6.0
149.09566	3.8
157.10130	7.0
163.05969	2.9
163.11206	1.0
165.12680	1.3
175.11198	6.3
193.10489	1.1
193.12241	21.2
211.13268	1.5
235.13330	1.8
239.23685	1.8
249.14832	1.5
257.24734	1.8
259.13416	1.4
267.15903	99.6
268.16266	2.0
301.14279	2.2
309.16940	3.2
313.27350	100.0
314.27722	1.9
491.90842	0.8
499.73746	0.9
505.38889	86.4
506.39163	4.4
523.39429	2.0
547.40143	6.5
565.40460	1.1
601.40106	1.3
613.40936	2.4
631.41473	2.9
649.43011	1.5
682.85797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02384	0.3
65.03946	1.1
67.05491	0.4
67.05839	0.2
68.99783	0.8
69.03085	0.3
69.03430	4.0
69.07072	0.2
69.66423	0.2
70.06586	0.6
71.04982	0.7
71.91935	0.2
73.02904	0.7
77.03915	0.2
77.57782	0.2
79.05479	0.3
81.03420	7.4
81.07040	0.3
81.86621	0.2
83.04995	0.2
85.02905	5.3
86.09699	0.3
87.00832	2.5
89.03927	0.3
91.05480	11.3
95.04964	0.5
95.08598	0.2
97.02911	2.0
99.04440	1.4
103.05440	0.4
105.01875	1.0
105.03389	0.8
105.07053	0.3
107.08580	0.3
109.02881	4.6
111.00819	0.2
111.49224	0.2
117.01847	0.5
119.04942	19.7
121.02866	5.0
121.06608	0.3
127.03922	5.1
129.01787	0.5
131.04915	0.4
132.02054	0.5
133.02847	0.9
133.10135	0.2
136.05176	0.4
137.02341	0.7
137.05989	0.3
145.02846	0.6
145.04947	0.9
147.04410	19.3
149.02318	0.6
153.01833	2.4
157.03946	1.5
157.06473	0.2
159.02895	1.4
161.06003	0.2
162.03119	0.2
163.03877	0.2
164.04672	0.5
165.01855	1.0
175.03909	36.5
176.04184	0.5
177.05405	0.3
178.04912	0.4
179.07021	1.6
183.02936	0.4
185.05978	0.5
192.04192	0.7
201.05350	0.2
206.04520	0.7
207.06528	100.0
208.06860	1.1
213.03688	0.2
213.05513	0.8
219.06497	0.4
225.07603	0.6
231.04774	0.4
231.06589	0.6
241.05098	1.0
245.04536	0.4
258.05286	0.5
259.05994	0.2
271.06128	0.3
272.06546	0.2
287.05499	70.1
288.05783	0.9
289.30530	0.2
291.08618	0.6
329.06546	1.3
351.10773	5.4
369.11804	8.0
395.07675	0.3
455.11612	0.3
466.03351	0.2
521.19617	0.2
655.16394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.6599
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45280	3.6
65.03931	4.0
65.16598	3.0
67.05502	55.6
69.03415	9.9
69.07077	31.8
69.21172	36.9
70.90366	3.3
71.05015	4.1
77.66736	3.1
79.05500	48.7
81.03420	41.3
81.07056	98.3
83.04982	11.6
83.08614	9.9
85.06563	5.2
91.05480	50.6
93.07037	57.8
95.04966	43.9
95.08611	68.5
105.06322	4.9
105.07032	71.5
107.08597	75.1
109.06522	24.4
109.10159	64.4
111.11707	8.1
111.46908	4.0
117.07037	24.4
119.08579	85.0
121.06489	7.6
121.10139	48.6
123.08061	8.3
123.11721	34.2
128.06226	7.4
128.92816	3.4
129.07004	19.3
130.07802	5.6
131.08588	49.9
133.06473	4.1
133.10138	71.7
135.08109	7.7
135.11685	71.3
137.09598	6.2
137.13248	17.9
139.07544	7.7
139.11145	3.7
141.06943	8.3
142.07796	8.3
143.08572	28.7
144.09319	3.9
145.10126	65.2
147.07994	5.4
147.11685	50.2
149.09621	13.9
149.13278	18.0
151.07611	3.7
151.11159	37.4
153.07039	3.6
155.08572	21.9
156.09358	8.5
157.10123	38.0
159.08037	5.3
159.11690	52.6
161.09622	20.9
161.13271	27.8
163.11221	6.2
163.14857	6.8
165.07135	5.3
167.08546	4.8
169.10068	19.9
169.12273	5.8
171.11700	30.1
173.09692	6.1
173.13268	39.5
175.11174	9.9
175.14772	24.9
177.12767	9.6
177.16422	10.2
181.10146	12.3
183.11696	27.8
185.13284	42.1
186.14037	5.3
187.11234	7.0
187.14819	44.7
189.12724	8.1
189.16383	25.7
191.14326	4.8
191.18057	8.3
193.10141	4.9
193.12296	6.1
194.10869	4.1
195.11710	15.5
197.13252	20.7
199.11145	5.6
199.14830	39.0
201.16388	37.4
203.14281	6.1
203.17897	4.9
207.11726	8.7
209.13322	12.0
211.14719	18.9
213.12616	5.9
213.16322	15.8
215.14207	4.0
215.17940	7.3
217.15869	12.4
223.14819	13.4
225.12753	5.9
225.16324	15.4
227.14322	22.0
227.17926	10.3
229.15860	8.6
229.19554	8.4
235.14824	5.5
237.16391	13.4
239.17877	14.3
241.15945	5.4
241.19569	6.8
243.13799	5.1
243.20964	4.0
247.14766	3.4
249.16603	4.3
251.18021	5.3
253.15866	8.8
253.19429	4.8
255.17410	5.5
255.21123	6.4
265.19644	4.1
267.17316	12.0
269.22644	4.5
271.20532	4.3
273.22189	8.4
277.19498	5.3
279.17355	4.5
279.20993	4.5
283.23987	4.1
285.22037	5.9
285.25330	4.4
293.18933	7.2
293.22433	8.9
295.24243	61.2
297.18683	4.8
313.25171	33.1
319.20288	3.4
319.24161	13.5
321.22076	5.2
321.25616	7.8
335.27191	5.6
337.21552	5.7
337.25287	19.2
345.25735	10.4
363.22659	7.4
363.26834	100.0
381.23303	4.3
381.27921	82.2
381.32764	5.5
415.29861	11.5
433.31097	33.7
451.31964	23.4
463.35370	5.0
470.44040	4.1
531.38470	4.2
549.39331	14.4
711.53229	16.6
897.65118	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	887.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03904	0.0
67.01843	0.2
68.99815	0.2
69.03394	0.1
69.64650	0.2
70.06588	0.0
71.01334	0.1
71.04992	4.2
72.05312	0.0
73.02885	0.2
75.04484	0.2
81.03397	0.1
83.04984	0.4
85.02901	5.3
86.03213	0.1
87.04452	0.1
91.05449	0.1
95.04942	0.0
97.02873	0.1
99.04434	0.2
101.52761	0.0
109.02829	0.1
111.04432	0.3
115.38364	0.0
119.04938	0.8
121.02851	0.3
127.03896	0.1
129.01840	0.1
129.05476	1.4
145.02841	0.4
147.06509	0.3
153.01819	2.2
153.05391	0.1
154.02034	0.0
163.03865	0.2
163.06062	0.1
171.02858	0.4
171.06544	0.1
172.00987	0.0
185.05865	0.1
187.03847	0.1
203.06976	0.2
225.05389	0.2
229.05016	0.1
234.63110	0.0
239.09193	0.1
243.06389	0.1
247.06090	0.1
253.05086	0.1
257.09988	0.0
270.05106	0.1
271.05991	100.0
272.06323	3.4
275.11548	0.0
281.47736	0.0
283.06012	0.2
295.06180	0.1
303.05054	0.1
309.07541	0.1
313.07104	0.2
433.11285	30.6
434.11646	1.4
475.12271	0.1
561.15991	0.1
577.15796	0.1
579.16943	0.6
595.16571	1.1
596.16730	0.1
671.31122	0.1
741.22290	4.9
742.22235	0.3
887.27960	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	884.281
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25383	0.2
67.05516	0.2
68.99797	0.2
69.03440	1.0
70.06594	2.2
70.17960	0.9
71.04994	2.9
72.08135	0.3
73.02899	0.3
74.06079	59.9
75.04477	0.5
75.06417	0.4
79.05489	0.3
81.03423	1.8
83.04986	0.3
84.04492	2.3
84.08144	0.4
85.02901	4.3
86.06063	1.1
86.09695	0.9
87.04453	0.2
87.49434	0.2
90.05606	0.2
91.05483	0.5
97.02886	1.4
97.06503	0.3
98.06050	5.9
98.75291	0.2
99.04454	0.5
102.05542	4.4
105.03383	0.4
109.02869	4.8
111.04411	0.3
114.05545	0.5
116.07088	33.1
119.04897	1.0
120.06574	12.0
121.02877	0.6
127.03902	1.1
129.05470	0.7
129.10226	0.2
136.07634	0.2
137.05989	0.2
139.37328	0.2
142.08568	0.2
143.11803	0.3
144.06555	38.8
145.02855	0.6
145.04950	1.8
147.04398	0.4
153.01813	2.0
155.03360	0.2
162.07622	4.4
162.09001	0.4
163.03900	0.3
167.07062	0.4
171.02908	0.3
173.04480	0.2
175.03918	0.5
177.05489	0.3
187.03915	0.2
192.08641	0.4
207.06494	0.7
209.08189	0.2
216.08673	0.3
216.30052	0.2
225.05496	0.2
228.08604	1.5
234.09763	0.4
239.45439	0.2
240.08539	1.2
246.09766	1.9
252.08829	0.4
264.10815	1.1
270.09726	9.4
271.06003	100.0
272.06339	2.4
283.05978	0.8
284.06720	0.7
288.10754	9.0
295.06036	0.6
306.11829	4.3
313.07053	4.4
337.07071	0.9
349.07138	0.3
349.95956	0.2
362.22235	0.2
379.07986	0.8
381.09570	0.4
397.08948	0.3
399.10413	0.3
415.10178	0.8
433.11264	5.9
558.15826	1.1
576.17072	8.9
577.16980	0.4
618.17920	0.6
738.21844	0.8
884.29858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	0.2
68.05019	0.6
69.51508	1.3
70.02953	1.4
70.06591	100.0
71.06919	0.8
72.08154	13.1
72.32882	0.2
78.91372	0.2
79.05491	0.4
81.03410	0.4
81.07053	0.2
82.06576	0.5
83.07363	0.2
84.08147	0.4
85.02908	0.4
87.05588	2.2
88.04011	0.2
91.05482	7.6
93.07019	0.4
95.04996	0.5
95.06077	0.3
97.04021	0.5
97.07671	0.9
98.02422	0.9
98.06053	1.2
103.05435	1.4
105.03378	0.6
105.07042	0.6
106.06569	1.0
107.04946	2.3
107.21089	0.2
107.92220	0.2
109.07677	0.6
111.04333	0.6
112.03967	0.2
112.07599	1.0
113.03486	0.5
115.08663	1.0
116.04981	0.5
117.05794	0.6
117.07011	0.3
118.06540	17.0
119.04953	1.9
119.07311	0.8
120.08117	4.2
121.02878	0.4
122.06006	0.5
123.04409	0.5
125.03477	0.3
125.07104	1.6
126.05524	0.6
127.03936	0.4
127.08677	0.5
130.05014	0.2
130.06523	1.0
131.04924	0.6
132.04485	0.6
132.08084	0.5
134.06013	5.0
134.08220	0.2
135.04439	0.5
135.06822	1.0
136.06517	0.4
136.07581	6.9
136.08522	0.3
137.06067	0.3
137.07089	5.7
138.07890	1.3
139.08678	1.7
140.07077	0.2
141.02942	1.0
141.10213	0.2
142.06113	1.3
144.08096	0.7
145.06499	0.5
145.07590	0.4
146.06003	34.3
147.04407	0.6
147.06396	0.7
148.07588	0.8
152.08206	0.8
153.06804	0.3
153.08989	2.5
155.04535	0.2
155.08183	0.5
157.09721	17.7
158.05986	0.9
158.10075	0.3
159.09140	0.2
160.03978	0.3
160.07587	1.1
160.11252	0.4
161.05936	0.3
161.07140	0.3
161.09595	0.2
162.04155	0.4
162.05505	6.3
162.06775	0.4
163.08636	1.0
164.07076	1.4
165.05431	0.5
165.06744	0.2
165.10400	0.2
167.06973	0.3
167.08171	1.4
168.09006	0.9
169.09822	0.2
170.05904	0.2
170.09645	0.4
172.03894	0.3
172.07564	1.0
172.11201	2.0
173.05954	0.9
173.07269	1.2
173.09616	0.3
174.05511	1.3
176.06979	0.4
176.10693	0.5
179.08615	0.3
181.09915	0.3
182.08110	1.7
183.07962	0.4
184.10867	0.5
185.09204	5.7
185.10791	0.4
187.08745	0.8
187.12317	1.2
188.03514	0.3
188.07018	1.5
188.10735	0.3
189.06651	0.7
190.12254	0.5
191.08206	0.6
194.09344	0.5
195.07959	0.5
197.07175	0.3
197.10805	0.7
198.05515	0.9
198.09175	0.3
199.12347	0.4
201.06622	0.5
203.08310	0.5
205.09810	0.2
206.09468	0.2
206.11795	0.8
207.06404	0.3
207.08075	0.4
212.08395	0.5
212.11876	0.3
213.10364	0.4
214.05054	0.4
214.13431	0.3
215.04518	0.3
215.08174	1.0
215.11816	0.8
216.06555	2.9
216.12477	0.5
217.06155	0.9
217.13354	2.4
222.09151	0.6
224.10455	1.4
225.10298	1.6
226.10902	0.2
226.13458	0.5
229.06361	0.2
231.07730	1.2
231.11235	0.5
232.10834	1.4
233.09236	0.8
233.12888	1.3
234.09128	0.7
234.11311	1.4
236.10603	0.5
239.11833	0.3
240.11345	0.8
241.09753	0.4
242.04616	0.3
243.07713	0.3
243.11339	1.7
245.12889	0.6
246.09192	0.4
249.11101	0.3
250.08849	0.5
250.11926	1.4
252.10286	0.4
254.09128	0.3
254.12909	0.9
256.14548	0.9
258.12375	1.5
259.07101	2.0
260.10309	11.4
261.12378	7.1
262.08682	0.4
263.11642	0.4
264.10242	0.2
266.12964	0.4
268.14484	0.4
271.06131	0.5
276.09775	4.1
279.11133	0.4
281.15021	0.9
282.12366	1.8
284.13950	1.1
286.10803	3.1
286.15479	4.2
287.05432	0.3
287.11511	0.3
288.10077	0.3
291.11258	0.2
294.12299	1.3
298.10870	0.3
300.13385	2.9
302.07779	0.4
304.16663	0.5
307.12936	2.0
312.13455	3.4
316.09720	0.3
317.06323	0.4
317.09488	0.3
323.17532	0.2
330.14484	24.5
331.14874	0.9
357.15714	0.3
375.16650	2.3
376.16769	0.3
378.14438	0.9
385.17560	2.9
393.15506	0.4
421.15161	1.1
427.16235	0.4
444.18900	0.5
464.18561	0.2
475.19540	0.4
492.22470	0.9
520.21423	1.0
556.24182	0.9
562.22998	1.2
579.25616	2.2
588.20807	0.6
605.23590	1.8
676.30524	0.2
684.26874	0.4
687.27002	0.5
701.29138	4.3
702.29510	0.3
704.30536	0.5
744.33118	0.5
781.30481	0.2
798.34662	2.9
822.35040	0.3
823.33319	0.3
850.34204	1.2
867.36359	0.4
868.34863	3.2
885.37732	26.6
886.37665	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	884.281
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25383	0.2
67.05516	0.2
68.99797	0.2
69.03440	1.0
70.06594	2.2
70.17960	0.9
71.04994	2.9
72.08135	0.3
73.02899	0.3
74.06079	59.9
75.04477	0.5
75.06417	0.4
79.05489	0.3
81.03423	1.8
83.04986	0.3
84.04492	2.3
84.08144	0.4
85.02901	4.3
86.06063	1.1
86.09695	0.9
87.04453	0.2
87.49434	0.2
90.05606	0.2
91.05483	0.5
97.02886	1.4
97.06503	0.3
98.06050	5.9
98.75291	0.2
99.04454	0.5
102.05542	4.4
105.03383	0.4
109.02869	4.8
111.04411	0.3
114.05545	0.5
116.07088	33.1
119.04897	1.0
120.06574	12.0
121.02877	0.6
127.03902	1.1
129.05470	0.7
129.10226	0.2
136.07634	0.2
137.05989	0.2
139.37328	0.2
142.08568	0.2
143.11803	0.3
144.06555	38.8
145.02855	0.6
145.04950	1.8
147.04398	0.4
153.01813	2.0
155.03360	0.2
162.07622	4.4
162.09001	0.4
163.03900	0.3
167.07062	0.4
171.02908	0.3
173.04480	0.2
175.03918	0.5
177.05489	0.3
187.03915	0.2
192.08641	0.4
207.06494	0.7
209.08189	0.2
216.08673	0.3
216.30052	0.2
225.05496	0.2
228.08604	1.5
234.09763	0.4
239.45439	0.2
240.08539	1.2
246.09766	1.9
252.08829	0.4
264.10815	1.1
270.09726	9.4
271.06003	100.0
272.06339	2.4
283.05978	0.8
284.06720	0.7
288.10754	9.0
295.06036	0.6
306.11829	4.3
313.07053	4.4
337.07071	0.9
349.07138	0.3
349.95956	0.2
362.22235	0.2
379.07986	0.8
381.09570	0.4
397.08948	0.3
399.10413	0.3
415.10178	0.8
433.11264	5.9
558.15826	1.1
576.17072	8.9
577.16980	0.4
618.17920	0.6
738.21844	0.8
884.29858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39649	1.0
67.05501	18.8
68.26617	1.0
69.03410	4.0
69.07066	8.3
71.04994	5.2
71.08631	19.6
71.53255	1.9
72.63450	1.2
73.02901	4.5
73.76900	0.9
79.05063	1.6
79.05484	14.8
81.03416	42.0
81.06590	2.1
81.07049	25.6
83.04977	9.1
83.08152	1.6
83.08620	20.1
85.02905	24.3
85.06550	1.5
85.10181	9.1
87.04434	2.3
89.06056	1.4
91.03961	6.5
91.05475	19.6
93.07036	11.2
95.04966	15.6
95.08600	19.6
97.02892	7.1
97.06509	2.6
97.10160	4.7
105.07021	12.9
107.04941	4.6
107.08601	5.2
109.06496	3.4
109.10153	8.0
111.04462	1.6
111.08070	7.6
113.06013	2.0
113.30910	1.1
117.06958	1.1
119.08560	11.6
121.06419	1.5
121.10145	6.7
123.08055	1.9
123.11688	2.3
125.09622	1.5
127.03877	2.3
129.07018	6.2
130.07396	1.5
131.08556	6.5
133.10150	7.5
137.13300	1.3
142.07730	2.3
145.04945	2.7
147.08054	1.8
147.11696	9.5
149.09613	3.9
152.12981	1.0
157.10144	8.2
163.05997	2.6
175.11177	11.1
193.12244	29.4
209.24043	1.0
211.13280	44.4
224.08087	1.0
239.23622	2.9
243.10757	1.2
267.15897	18.6
285.16949	60.5
286.17200	2.5
312.18130	1.1
312.36804	1.2
313.27356	65.2
314.27646	1.4
490.10083	1.3
505.38913	14.9
523.39935	100.0
524.40198	4.8
580.98926	1.3
656.47058	3.1
677.33813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.7
67.05508	11.5
68.86623	0.8
69.07065	6.2
70.12940	2.4
70.13352	1.5
71.04976	1.5
71.08636	15.7
73.02898	0.8
79.05489	12.5
81.03405	2.0
81.07053	14.3
83.04964	1.2
83.08613	9.5
85.02897	3.1
85.10173	9.3
89.06011	2.0
91.03944	1.8
91.05458	3.5
93.06478	1.4
93.07042	20.9
95.04984	3.8
95.08605	28.0
97.02885	3.9
97.06522	2.7
97.10155	3.5
99.04450	3.1
103.07600	0.9
105.07014	4.6
107.04971	4.4
107.08587	15.8
109.06525	1.2
109.10141	5.5
111.11668	0.8
117.06999	5.0
119.08572	6.4
121.06499	3.3
121.10139	8.3
123.11701	2.6
125.05978	1.7
127.03910	0.8
130.07852	0.9
133.10161	1.2
135.08038	1.3
135.11687	35.7
139.07538	1.4
140.21017	0.8
143.08606	0.8
145.10121	18.0
153.12769	0.8
163.11177	45.7
164.11559	1.9
181.12218	7.6
196.29816	0.8
209.11691	1.2
227.12779	50.4
239.23787	1.3
257.24655	2.0
283.15387	79.7
284.15488	1.5
313.27359	82.4
314.27661	1.7
335.01614	0.9
468.38696	0.9
509.99429	0.8
521.38373	100.0
522.38641	4.1
552.09216	0.8
702.75482	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	1.5
67.05501	8.7
69.03442	3.0
69.07056	3.2
69.42218	4.3
70.06588	3.8
71.04981	2.1
72.08133	0.5
73.02910	0.6
77.03922	0.5
79.05480	2.2
80.05721	0.5
81.03410	4.6
81.07036	2.2
83.04962	1.8
83.08600	0.8
85.02905	3.2
85.06537	7.5
86.09686	2.2
91.05465	3.9
93.07037	2.3
95.04939	1.4
95.08591	1.8
97.02895	1.9
97.06532	0.5
99.04431	0.6
103.05462	0.8
105.03366	0.7
105.07041	2.8
107.05007	1.3
107.08596	1.6
109.02869	3.0
109.06481	0.6
109.10139	1.6
111.04410	0.8
115.05396	1.2
117.07011	0.6
119.04916	1.4
119.08595	1.8
120.08077	0.9
121.06472	0.8
121.10124	1.6
121.61156	0.5
123.04416	0.9
123.11712	0.6
127.03894	5.1
128.06197	0.7
129.07051	0.9
130.06529	0.6
131.04901	2.0
131.08553	1.3
133.06444	0.8
133.10150	1.4
135.04398	7.0
136.06207	0.6
137.06007	1.0
141.06975	0.8
142.07745	0.7
143.08572	3.0
145.06374	0.9
145.10110	1.6
147.04414	4.2
147.08055	3.0
149.05966	1.4
151.03928	0.8
155.08534	1.1
157.10077	0.8
159.04411	5.6
159.11671	0.7
161.05959	1.5
161.09662	0.7
163.03937	1.9
163.07549	0.9
163.11179	0.7
165.05470	0.6
167.07016	1.5
169.09987	0.6
171.04416	1.0
171.08028	4.8
171.11685	0.7
172.08788	1.4
173.05963	2.9
173.09575	1.6
175.03899	36.9
175.07495	1.7
175.11154	0.8
177.04047	1.0
177.05473	10.6
177.08946	0.6
181.05045	0.8
183.08046	1.4
185.05777	0.6
185.09567	5.3
186.06801	0.7
186.10158	0.5
187.03899	11.4
187.07494	4.6
187.11203	0.7
189.05484	5.3
189.09109	17.1
191.07010	0.8
191.10616	0.6
193.08568	0.6
195.07999	1.5
197.09610	1.5
198.06738	1.1
199.03844	2.5
199.07526	1.5
199.11150	1.7
200.08315	0.6
201.05505	6.2
201.09081	23.3
203.03377	1.8
203.07051	2.7
203.10715	3.1
205.04829	0.7
205.08627	1.9
207.06506	1.6
207.10202	7.3
209.09760	0.7
209.13290	0.8
211.07573	1.0
212.08357	1.2
213.05661	1.1
213.09093	13.5
213.12433	1.0
214.06264	1.3
215.07039	2.1
215.10670	3.9
217.05038	0.6
217.08592	1.9
219.10083	3.0
225.09012	1.3
226.06247	2.7
227.07094	1.3
227.10693	5.9
227.14207	3.5
228.07877	0.9
229.08604	14.8
229.12103	0.9
231.10147	11.6
233.11653	1.2
237.12764	5.5
239.10620	1.2
240.11446	7.8
241.08588	7.7
241.11940	1.2
243.10164	30.5
245.08018	0.8
245.11734	5.5
247.09650	19.6
248.09685	0.7
249.11186	3.2
251.14346	1.6
253.08444	0.8
253.12207	1.6
255.10277	5.8
255.13791	100.0
256.14023	3.2
257.11722	1.1
257.15378	1.1
258.12210	0.6
259.09634	3.0
261.11206	4.3
267.10355	1.0
267.13647	0.9
269.12161	1.0
269.15335	7.2
271.05963	2.3
273.11594	1.9
273.14828	39.7
274.15036	1.3
279.13763	0.9
281.11722	1.0
287.05600	2.9
287.16376	1.8
288.05734	0.9
291.15869	2.2
295.13315	2.8
297.14822	32.8
298.15088	1.3
299.12839	1.0
299.16348	1.3
309.16888	1.6
311.16519	0.7
313.14310	7.8
315.15869	24.8
316.16345	1.1
331.15393	19.8
332.15707	1.2
333.17032	6.4
339.12054	0.7
339.15884	0.8
349.16486	1.2
351.18027	2.7
357.16995	1.9
399.18005	0.7
405.16364	0.7
423.17831	3.6
437.54080	0.6
441.19061	10.1
459.20126	47.6
460.20493	1.9
477.21201	51.8
478.21625	2.0
495.22260	30.3
496.22437	1.6
807.35431	0.8
825.36969	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	864.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.9
67.05504	14.1
69.07054	6.7
70.48434	2.7
70.48828	2.9
71.04971	1.8
76.26215	1.3
79.05485	2.3
81.03418	2.0
81.07056	4.3
83.04985	1.7
85.06532	7.7
91.05481	9.1
93.07047	4.5
95.01339	8.0
95.04975	12.5
95.08604	3.0
103.05518	2.0
105.07020	7.1
107.04938	1.6
107.08607	2.5
109.10160	3.9
115.05388	1.7
117.07072	1.7
119.04934	3.4
119.08578	5.2
119.57259	1.5
121.06497	2.4
121.10114	5.0
123.11680	1.8
128.06219	2.1
129.07022	2.3
131.04903	8.7
131.08588	3.5
133.06470	3.2
133.10133	3.0
142.07816	2.1
143.08553	5.6
145.06451	3.5
145.10149	5.1
147.04375	8.9
147.08052	3.3
147.11676	4.6
153.06972	2.0
155.08499	3.0
157.10118	5.5
159.04420	10.7
159.08063	2.4
159.11711	2.2
161.05975	7.8
161.13213	2.2
163.03891	6.4
163.12498	1.8
169.10132	5.0
171.11646	4.0
171.17064	1.4
173.06009	2.8
173.13290	2.4
174.45551	1.3
175.03905	100.0
176.04341	1.6
177.05479	10.8
183.08063	1.7
185.09598	1.6
185.13322	1.7
187.03880	33.6
187.07526	4.6
187.11186	5.8
189.05502	9.2
195.08040	3.2
197.09613	2.0
199.03896	12.9
199.11232	2.0
201.05473	8.3
201.09067	2.4
203.03445	4.8
203.06996	3.9
203.10696	2.3
209.13222	1.6
213.05376	6.8
213.09097	2.8
215.07013	4.5
221.13313	1.4
226.06271	8.5
227.07028	5.1
229.08594	25.6
229.15955	1.8
229.22179	1.5
231.10051	7.3
239.06990	2.1
241.08606	33.9
243.10172	28.5
245.08064	13.3
247.09604	36.4
253.08522	2.2
255.10153	4.4
259.09665	8.5
271.09555	2.1
277.27444	1.5
295.13248	13.9
309.18521	1.5
313.14331	69.0
314.14755	2.8
331.15396	25.2
332.15982	1.9
337.17862	2.4
344.00775	1.7
353.21234	2.6
355.15350	2.0
397.20190	7.5
421.19818	2.0
427.51630	1.6
457.22046	5.4
507.82333	1.6
718.07245	1.6
829.37799	12.7
838.57056	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	861.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.3
67.05505	9.0
69.03421	5.1
69.07057	3.3
70.06598	5.0
71.04991	1.2
79.05495	2.7
81.03398	6.3
81.07050	4.4
83.04971	1.6
85.02914	3.8
85.06552	6.7
91.05489	6.4
93.07045	3.0
95.04955	2.4
95.08611	3.6
95.41443	1.1
97.02891	3.1
98.09615	1.1
99.04465	1.7
105.03385	2.0
105.07045	4.2
107.04957	2.2
107.08586	3.5
109.02849	5.2
109.06541	1.8
109.10170	2.8
110.07146	1.6
111.04425	1.7
119.04913	3.4
119.08569	3.6
121.02837	1.5
121.06493	2.2
121.10149	2.4
123.04382	1.1
123.08095	1.6
127.03899	6.8
128.06273	1.2
131.04939	3.7
131.08617	1.2
133.10124	1.7
135.04369	5.0
135.08078	1.2
137.05983	2.0
143.08533	3.1
143.18391	1.1
145.06487	2.2
145.10135	4.0
147.04395	5.4
147.08080	2.6
147.11623	1.7
149.05998	1.6
151.03917	1.0
153.01848	1.5
157.10101	1.7
159.04410	3.0
161.05934	3.0
161.09610	2.0
163.03889	2.2
163.11189	1.4
167.07037	4.3
169.10146	1.4
171.08067	4.5
173.05986	3.7
173.09659	2.4
175.03894	42.5
175.07422	1.6
177.05466	9.2
181.04947	2.1
185.09589	5.6
187.03914	9.5
187.07503	2.9
189.05473	5.4
189.09105	17.3
191.06993	1.4
191.10617	1.2
193.08549	1.2
195.08153	1.4
197.09625	1.1
199.03914	2.5
199.07472	1.9
201.05482	5.0
201.07245	2.3
201.09082	22.6
203.03502	2.1
203.06992	1.6
203.10741	2.1
205.08592	1.5
207.06586	4.2
207.10150	2.7
209.09770	1.3
211.07492	2.2
212.08325	1.6
213.09070	14.6
213.12445	1.7
215.07108	2.0
215.10724	3.3
217.04956	1.2
217.08546	1.6
219.02827	1.8
219.10063	2.0
222.10307	1.1
225.09138	2.4
226.06322	1.7
227.10641	7.8
227.14388	4.0
229.08594	13.4
231.10159	10.5
237.12712	5.1
240.11465	7.6
241.08540	5.6
243.10161	25.6
245.11797	4.6
247.09634	18.8
249.11201	3.3
251.14204	1.9
253.12224	3.0
255.10020	6.6
255.13795	100.0
256.14133	2.9
257.15347	2.9
259.09680	2.7
261.11279	3.5
269.11972	1.8
269.15387	7.2
271.05991	17.2
273.11688	2.1
273.14825	38.6
287.05460	2.2
291.15793	2.2
295.13284	4.1
297.14832	44.0
299.12918	2.0
299.16296	1.8
313.14307	9.4
315.15897	26.2
329.13989	1.2
331.15317	16.9
333.16919	4.6
339.12271	2.4
339.16010	1.7
349.16541	1.4
357.16782	1.9
386.04736	1.0
405.17218	1.2
423.18094	5.9
441.19159	11.9
459.20132	53.4
477.21207	48.8
495.22229	27.8
505.08514	1.2
825.36475	3.7
843.46222	1.8
854.69824	1.3
861.38000	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	861.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	0.4
65.03970	0.2
65.45588	0.1
67.05490	0.2
68.99798	0.3
69.03432	2.0
69.07076	0.2
70.06590	0.5
70.63893	0.5
71.04996	5.4
71.96849	0.1
72.08160	0.2
73.02907	0.4
75.04469	0.3
77.03921	0.2
79.05495	0.9
81.03426	3.8
81.07076	0.2
82.06583	0.1
83.04979	0.5
84.08179	0.2
85.02908	8.5
87.04465	0.2
91.05482	0.9
93.07056	0.3
95.04980	1.5
95.08589	0.2
97.02890	2.9
99.04458	0.8
103.05453	0.2
105.03396	18.3
105.07024	0.4
107.04967	0.4
107.08611	0.3
109.02886	2.5
109.06519	0.1
111.00839	0.3
111.04449	0.4
119.04937	0.5
121.02866	3.9
121.06515	0.2
121.10175	0.2
123.04430	1.3
123.29336	0.1
127.03920	3.6
129.05472	1.7
131.04878	0.2
133.02843	0.5
133.06529	0.2
135.04399	0.3
137.02376	0.7
137.06000	0.4
145.04956	1.6
145.06615	0.2
145.10112	0.2
147.04416	1.3
147.06485	0.2
148.04790	0.1
148.71143	0.2
149.05949	0.2
151.03926	0.2
153.01843	2.2
155.06062	0.1
157.06421	0.2
161.05995	0.2
162.05487	0.2
163.03934	0.1
165.01845	1.0
167.06981	0.9
171.02850	0.3
173.05995	0.2
175.03940	0.9
175.07550	0.1
176.04149	0.2
177.05461	0.3
181.04950	0.3
183.02892	0.4
185.06006	0.3
201.05420	0.3
207.06563	2.1
208.06844	0.5
213.03696	0.1
213.05380	0.8
219.06577	0.2
229.04993	0.2
231.06534	0.6
240.41672	0.1
241.04999	0.9
245.04451	0.2
249.07594	8.0
258.05292	0.5
259.05945	0.2
267.08636	2.9
269.04355	0.2
271.05963	0.9
286.04684	0.2
287.05502	100.0
288.05859	2.3
303.05096	0.3
311.05441	0.2
317.06723	0.2
329.06525	0.6
353.06635	0.2
369.11627	0.2
370.12231	0.2
391.07959	0.2
395.07297	0.2
431.09753	0.2
449.10510	0.2
553.13446	4.5
554.13892	0.3
614.35724	0.2
861.30438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	49.1
61.42340	1.5
64.57594	1.7
67.05180	2.9
67.05510	35.9
69.03415	5.6
69.07070	43.6
71.04980	2.8
71.08632	11.4
71.53693	2.6
73.02915	19.3
75.04479	2.7
79.05493	18.1
81.03404	3.2
81.07049	44.9
83.04971	3.0
83.08614	35.3
85.02903	60.4
85.06536	3.0
85.10165	5.9
87.04443	1.8
91.03950	54.6
91.05470	4.2
93.07037	23.6
94.53429	2.0
95.08603	46.4
97.02887	27.3
97.06530	8.9
97.10168	31.9
99.04451	2.4
105.07029	2.5
107.08584	15.3
109.10153	22.0
111.08066	6.7
111.11703	5.5
115.03913	3.8
121.10140	37.4
123.11687	8.7
125.07436	1.9
125.09628	3.0
126.74181	1.8
127.03905	21.7
135.11687	29.3
136.06184	3.0
137.13239	3.1
139.11194	3.7
145.03906	2.9
145.04958	30.4
148.64632	1.8
149.13239	15.0
151.14824	3.7
152.17389	1.6
155.16541	1.7
163.06009	57.7
163.14871	5.2
165.16429	3.3
175.03893	2.8
177.16351	3.3
183.93701	1.5
184.07339	4.0
191.17940	1.7
200.10516	1.7
203.62459	1.6
247.24208	31.5
265.25262	80.2
283.26285	19.8
324.29272	2.1
325.11295	1.9
339.28922	100.0
340.29343	4.3
357.29977	88.6
358.30328	4.9
462.66376	2.6
501.34274	8.1
551.28149	1.9
728.47028	2.1
861.49670	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	858.469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	40.5
65.03933	1.9
67.05505	61.0
69.03091	0.9
69.03422	5.3
69.07068	18.5
70.06573	0.9
71.04987	2.3
71.08640	4.7
71.53155	1.0
71.53526	1.2
73.02922	16.5
79.05502	15.9
81.03404	2.5
81.07058	70.2
83.05000	1.3
83.08150	1.4
83.08617	16.8
85.02905	54.1
85.06538	2.2
85.10168	1.2
85.83584	1.1
91.03954	46.2
91.05478	13.1
93.06483	1.6
93.07047	20.7
93.83625	0.9
95.04968	1.4
95.08609	61.0
97.02298	1.7
97.02895	25.4
97.06546	5.6
97.10162	10.9
97.34726	1.0
99.04444	3.3
99.08085	3.6
103.03940	2.0
105.07025	10.7
107.08598	12.3
109.06547	0.9
109.10161	32.7
111.08077	3.5
111.11723	4.1
113.09662	1.7
115.03939	1.5
119.08585	11.5
121.09330	1.4
121.10144	19.2
123.11715	17.8
125.09626	2.2
127.03931	19.8
127.11173	1.8
133.10127	15.0
135.11684	11.6
137.09602	2.0
137.13260	8.4
137.82320	0.8
139.11169	1.7
141.12701	2.2
145.04965	27.5
147.11681	9.1
149.13260	10.8
151.11182	1.2
151.14783	5.5
153.12732	1.1
155.14308	2.8
161.13269	11.7
163.06017	55.8
163.14830	9.0
165.16321	6.2
173.14957	0.9
175.14807	8.9
177.16457	1.2
179.17938	7.0
189.16396	4.8
193.15950	1.4
203.17891	1.2
217.19594	1.8
225.96948	0.9
245.22655	62.5
246.23033	0.9
263.23709	100.0
264.24109	2.7
265.25317	2.0
281.24734	4.9
292.13617	1.0
325.11090	2.2
337.27377	68.4
338.27853	2.2
355.28445	22.2
356.28790	1.4
376.59592	1.0
481.31650	1.5
499.32657	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	856.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	42.2
67.05509	47.6
69.03415	4.4
69.07069	7.2
70.06580	1.4
71.04980	3.7
71.52689	1.7
73.02923	14.9
75.04475	1.2
79.05074	1.9
79.05501	28.4
81.03409	3.0
81.07059	58.5
83.04976	2.0
83.08615	4.3
85.02908	53.0
85.06523	3.1
91.03960	48.5
91.05474	17.6
93.07050	38.6
95.04954	5.6
95.08610	44.3
96.36925	1.3
97.02303	1.6
97.02901	25.8
97.06520	2.5
97.10146	3.1
99.04444	3.4
99.08097	1.7
103.03902	2.3
105.07032	14.5
107.08601	27.9
108.51562	1.4
109.02880	3.4
109.10167	27.0
112.63291	1.2
113.09689	1.8
115.03943	3.5
117.07001	7.9
119.08583	12.7
121.09349	1.6
121.10159	26.2
123.11714	15.7
125.09638	1.8
127.03919	17.9
131.08566	18.2
133.10156	14.7
135.11687	22.1
135.12694	1.6
137.09546	1.8
137.13252	7.4
145.04964	35.7
145.10101	13.1
147.11671	12.5
149.13258	16.1
151.11124	2.0
151.14809	1.7
153.12657	1.6
159.11725	10.9
161.13248	10.7
163.06027	62.8
163.14836	16.3
165.12773	2.1
173.13300	12.8
175.14784	4.4
177.12880	1.5
177.16418	5.0
179.14333	3.3
187.14813	9.8
191.14226	1.4
201.16478	3.3
205.15770	1.8
215.17805	1.3
219.17487	1.6
222.09346	1.2
233.22845	2.3
243.21115	35.7
244.21365	2.3
261.22153	100.0
262.22433	3.5
263.23737	1.7
279.23126	4.1
325.11292	4.1
335.25812	19.1
353.26892	76.4
354.27216	3.9
429.26248	1.5
467.53439	1.3
497.31152	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	856.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	44.5
65.03923	2.5
67.05508	57.3
69.03428	4.1
69.07072	14.1
69.42307	8.0
69.42725	4.4
71.04979	2.4
73.02914	15.6
79.05499	37.1
81.03413	4.0
81.07057	63.8
81.07533	3.2
83.04972	1.7
83.08603	8.8
85.02909	62.6
85.06527	4.4
91.03957	49.1
91.04530	2.1
91.05479	20.1
93.07044	48.8
95.04972	3.8
95.08610	55.3
97.02897	33.2
97.06544	1.9
97.10195	2.7
98.20763	3.0
99.04447	3.6
99.08065	2.1
103.03970	1.9
105.07044	16.7
105.08520	1.6
107.08599	28.4
109.02910	2.5
109.06551	2.3
109.10157	35.0
111.08089	2.4
115.03925	2.6
117.07025	7.2
119.08575	15.0
121.10144	33.9
123.02092	1.7
123.11707	17.4
127.03915	23.9
131.08563	17.6
133.10132	13.0
135.11703	23.1
135.12621	2.8
137.13271	8.3
139.11136	3.0
141.07089	1.5
145.03932	2.4
145.04970	31.1
145.10110	14.5
147.11679	9.5
149.02280	1.9
149.13263	23.7
151.11179	2.8
151.14796	4.4
159.11717	13.3
161.13303	11.3
163.06013	69.4
163.14833	12.6
173.13268	11.8
175.14835	3.2
177.16408	6.0
187.14818	7.0
201.16354	2.3
204.08862	1.9
205.15825	2.6
214.86807	1.6
215.17952	2.7
233.22740	3.4
243.21072	39.7
261.22147	100.0
262.22333	3.4
263.23633	1.8
279.23273	3.7
325.11319	2.5
335.25803	36.6
350.39243	2.0
353.26855	84.9
354.27167	3.2
497.31198	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	856.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	33.9
65.03928	2.1
67.05505	48.2
69.03432	4.3
69.07067	10.1
70.72272	0.6
71.04966	2.6
71.08641	1.2
71.42181	1.0
71.42532	1.0
73.02916	16.0
79.05491	28.0
81.03406	2.4
81.07053	60.4
83.04973	1.0
83.08607	4.7
85.02902	52.7
85.06535	1.8
87.04465	0.9
91.03953	48.1
91.05481	13.6
93.07044	39.5
93.07568	0.7
95.04980	2.4
95.08605	49.6
97.02887	23.0
97.06507	1.8
97.10175	2.6
99.04447	2.9
99.08087	2.4
103.03938	1.8
105.07040	12.7
107.07872	1.5
107.08592	26.1
108.08942	0.8
109.02879	2.0
109.06512	1.6
109.10155	32.9
111.08067	1.0
111.11725	1.1
113.09661	1.2
115.03925	3.3
117.05497	0.9
117.06986	6.5
119.08577	8.9
121.10143	30.8
123.08070	1.0
123.11707	17.6
125.09589	1.9
127.03914	18.3
131.08562	14.6
133.10129	12.3
135.10695	1.5
135.11690	24.2
137.09596	1.9
137.13240	5.7
139.11163	1.7
142.46123	0.7
145.04961	28.6
145.10120	12.2
147.11688	10.7
149.09659	0.9
149.13263	19.5
151.11171	2.5
151.14772	2.5
153.12718	1.2
159.11697	12.4
161.13249	11.5
163.06015	70.0
163.11182	1.3
163.14821	14.4
165.12758	2.4
173.13261	11.5
175.14803	4.2
177.12816	1.6
177.16396	5.5
178.56200	0.7
179.14301	3.3
186.68665	0.8
187.14812	9.3
191.14302	2.0
197.15393	0.7
201.16389	2.7
205.15860	2.2
205.32358	0.8
211.45816	0.8
215.17905	2.2
219.17435	1.6
229.14322	0.7
233.18982	1.1
233.22644	3.8
243.21078	37.5
244.21431	1.5
261.22128	100.0
262.22433	3.9
263.23773	1.3
279.11533	0.8
279.23145	7.0
285.32709	0.7
297.20380	1.0
307.10168	0.9
317.24695	0.9
325.11304	3.4
331.37140	0.8
335.25793	34.2
336.26163	2.2
353.26855	82.7
354.27298	3.8
405.26215	1.2
419.28146	0.9
425.97906	0.8
443.27661	1.0
461.28961	1.7
479.30167	0.9
497.31082	11.5
659.35303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83883	1.0
61.02929	18.6
65.03934	3.8
67.05507	100.0
69.03436	7.1
69.07071	18.1
69.30569	1.2
69.30895	10.4
70.06600	1.3
71.01347	3.1
71.04984	6.3
73.02911	9.6
79.05495	39.9
81.03423	15.9
81.07059	78.1
83.04984	12.3
83.08625	22.5
85.02910	29.9
85.03281	0.7
85.03426	1.2
85.06554	5.6
87.04476	3.2
91.03957	12.8
91.05488	26.7
93.07047	42.9
95.04967	8.9
95.08611	21.3
97.02900	14.7
97.06535	10.4
97.10179	14.9
99.04465	2.8
99.08123	2.3
103.03969	1.5
105.07040	12.4
107.04961	3.6
107.08600	29.6
109.02898	1.4
109.06510	2.7
109.10159	56.7
110.10491	1.2
111.04431	2.0
111.08084	6.6
115.03924	1.5
116.04697	1.3
117.07052	7.6
119.08591	8.7
121.06515	3.4
121.10142	12.4
123.08057	2.1
123.11726	3.3
125.09616	13.4
127.03915	4.5
129.05531	5.5
129.07040	1.9
131.08557	12.5
133.06509	1.7
133.10115	12.6
135.08044	2.1
135.11699	10.5
137.09607	3.2
139.11241	1.7
143.08549	1.6
145.04987	6.0
145.10161	4.1
147.11685	4.3
149.09610	2.8
149.13255	15.7
151.11198	2.7
153.12703	2.4
155.10620	1.5
157.10110	3.3
159.10486	1.0
159.11661	7.6
163.06021	4.7
163.11198	6.2
165.12796	2.1
173.04541	1.2
173.11740	15.7
175.11308	1.2
177.12767	4.9
181.12271	2.8
191.10713	2.6
193.12267	4.9
195.13815	15.2
199.13309	6.1
205.12350	1.1
209.11722	4.8
213.14880	2.0
224.04681	1.2
227.12772	7.8
229.14360	48.8
239.16530	2.6
257.13855	5.6
267.15970	8.1
269.17496	64.8
283.15305	6.6
301.16489	15.4
393.26337	3.0
411.27368	7.1
423.27438	49.6
424.27771	2.4
431.27908	2.5
449.28778	1.4
459.27209	1.6
477.28241	3.8
495.29514	91.7
496.29672	5.0
513.30609	28.5
513.36859	1.0
697.78473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	16.6
61.69904	1.6
62.83648	1.8
65.03925	3.6
67.05506	100.0
69.03413	5.0
69.07069	20.4
70.06585	2.7
71.04993	7.0
71.52959	1.7
73.02905	5.7
79.05495	43.9
81.02979	1.8
81.03416	15.6
81.07058	73.4
83.01300	1.8
83.04977	11.0
83.08620	22.4
85.02906	34.0
85.06538	4.8
87.04430	3.5
91.03954	13.4
91.05479	26.6
93.06487	2.6
93.07047	44.7
95.04953	7.1
95.08607	21.7
97.02886	15.2
97.06528	6.6
97.10170	14.1
99.04439	2.3
105.07025	16.7
107.04926	3.8
107.08604	30.0
109.06525	4.7
109.10157	57.3
111.08084	7.0
116.04693	3.2
117.07040	9.3
119.08588	11.8
121.06487	3.1
121.10143	13.1
123.08048	4.1
123.11680	5.4
125.09629	12.9
127.03924	4.9
129.05450	5.7
131.08580	10.9
133.10149	15.5
135.08076	2.3
135.11688	9.9
137.09605	2.9
143.06978	1.7
145.04948	5.8
145.10097	4.5
147.08116	1.5
147.11690	5.8
149.13258	13.8
151.11159	1.8
153.12767	3.9
155.10675	3.8
157.10040	1.5
159.11752	8.1
163.06006	5.8
163.11154	6.8
165.12766	1.9
171.24881	1.5
173.09596	1.8
173.10359	1.7
173.11740	16.4
175.11157	1.9
177.12762	3.5
181.12245	2.2
191.10695	2.3
193.12279	4.1
195.13797	11.9
199.13263	5.9
209.11736	5.1
211.13434	2.2
213.14832	3.2
227.12695	7.5
229.14352	47.8
239.16293	1.9
257.13879	4.2
265.14340	2.5
267.15894	11.6
269.17480	73.6
283.15402	9.5
285.17020	2.3
297.17041	2.0
301.16452	16.5
336.26315	1.3
393.26410	2.0
411.27432	7.6
423.27405	44.5
424.27792	2.2
449.29111	2.5
459.27475	1.9
477.28464	3.0
489.61807	1.8
495.29523	96.6
496.29501	2.7
513.23682	2.1
513.30670	29.0
519.89227	1.6
781.91907	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	852.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.41936	0.9
67.05507	17.9
69.03436	7.0
69.07068	23.5
69.26958	5.8
69.27378	2.2
71.04982	1.5
79.05496	18.0
81.03430	4.1
81.07059	15.5
83.04978	4.0
83.08614	7.7
84.00459	0.8
85.02887	1.1
91.05480	13.7
92.49509	0.8
93.07041	13.9
95.01304	0.8
95.04985	5.9
95.08610	7.5
97.02891	8.6
97.06509	3.0
97.10173	11.0
97.43166	0.8
103.05454	1.1
105.07032	9.5
107.04947	7.0
107.08601	9.2
108.36997	0.8
109.06513	2.2
109.10171	6.3
111.08059	2.0
117.06981	5.0
119.04945	1.6
119.08580	10.0
121.06522	2.6
121.10153	3.9
123.08038	3.1
125.09641	8.4
128.06212	1.3
129.06996	3.2
130.07809	0.8
131.08559	6.9
133.06505	2.6
133.10156	4.1
134.07277	1.3
135.08051	3.3
135.11665	2.1
137.09608	1.8
137.92935	0.8
143.08569	2.9
145.10117	5.6
147.08098	3.9
147.11682	2.9
149.13264	2.0
153.09079	1.1
155.08385	1.1
157.10078	1.5
159.08076	0.9
159.11710	2.8
161.09618	3.0
162.10396	1.0
163.11153	1.2
165.09067	1.1
171.11678	0.8
175.11212	3.1
176.29913	0.8
179.10852	0.9
189.11250	3.1
193.06467	0.9
193.12311	1.5
195.13828	1.1
205.12198	1.6
223.13275	16.8
227.12750	4.3
229.08572	1.0
245.18951	1.2
249.14874	3.4
267.15787	1.4
273.18494	14.0
291.19534	100.0
292.19714	3.2
338.76932	0.9
347.22064	2.3
355.63901	1.0
365.23239	44.6
366.23346	1.2
462.50055	0.9
557.34595	2.0
575.35712	1.6
602.20367	0.9
602.31525	0.9
637.41034	3.0
655.42041	44.1
656.41656	1.3
673.41357	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	3.4
67.05502	38.6
69.03432	8.1
69.06728	2.2
69.07066	25.1
69.29081	4.1
69.29497	8.7
71.04967	3.0
77.03924	1.3
79.05492	31.2
81.03413	8.8
81.07055	33.3
83.05006	6.2
83.08617	7.8
83.71318	1.2
85.06523	3.5
91.05482	36.1
93.07043	25.5
94.04190	1.3
95.04964	11.4
95.08598	15.3
97.02862	4.7
97.06512	5.7
97.10170	9.0
105.07032	26.0
107.04966	8.3
107.08590	22.4
109.06524	7.8
109.10155	28.2
111.08080	2.1
115.05490	1.6
117.00522	1.4
117.07027	7.9
119.08573	13.5
121.06519	6.8
121.10111	6.4
123.08053	4.4
123.11694	4.7
125.09614	5.7
127.07532	2.0
128.06250	1.5
129.06978	3.8
131.08580	9.1
133.06456	4.9
133.10132	37.7
135.08063	6.5
135.11681	3.9
137.09612	2.0
138.57156	1.2
143.08554	6.5
145.10100	7.4
147.08005	5.6
147.11650	3.4
149.09607	3.2
149.13242	1.5
151.11174	14.3
155.08571	1.7
157.10088	3.6
159.11687	3.4
161.09579	4.7
163.07463	1.5
163.11157	2.6
169.12199	4.2
171.11650	3.6
175.11188	2.9
179.10716	2.6
189.11172	3.6
189.12729	2.0
195.13690	2.1
215.12729	2.3
223.13313	10.5
227.12747	5.4
227.17966	1.4
236.25172	1.2
237.16286	1.4
245.19002	2.3
249.14766	3.0
251.12547	1.7
253.14349	67.5
255.17564	1.9
261.31708	1.3
263.20050	3.2
273.18515	26.8
283.15628	1.9
291.19543	100.0
309.20889	1.6
347.22156	7.8
361.89185	1.6
365.23239	40.9
543.33069	5.8
561.34216	19.2
597.37463	1.6
637.40948	9.0
655.41949	26.6
795.80847	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	6.2
67.05477	1.3
68.04990	0.6
69.03394	1.0
70.06590	22.4
71.08627	4.2
71.53561	0.7
72.08138	0.6
74.06048	0.7
82.38145	0.6
85.10155	1.4
88.07629	27.6
93.07063	0.7
95.04951	1.2
95.08623	0.6
102.09176	25.0
105.03394	1.2
121.02850	3.7
131.04922	0.7
132.02046	0.7
133.02777	0.8
135.18275	0.5
139.03899	2.3
147.04398	2.1
149.02345	95.3
149.03426	5.8
175.03908	3.0
177.05518	2.7
191.07019	1.6
193.04964	51.5
212.23639	1.2
219.06476	3.6
237.07555	12.1
241.67659	0.6
256.26352	73.7
257.26776	2.1
297.03918	1.2
313.07062	1.2
341.06607	5.5
343.08096	1.3
359.07767	1.9
385.09122	8.2
429.11597	1.2
533.11157	1.1
577.13232	8.1
621.16046	16.2
832.38507	2.4
850.39990	100.0
851.40277	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	848.5
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	3.4
61.02923	12.0
63.38457	0.6
65.03939	1.8
67.05505	100.0
68.05838	0.7
69.03426	2.1
69.07065	8.7
71.04984	3.5
71.52870	0.8
71.53232	0.7
73.02907	4.1
79.05493	17.9
81.03419	2.2
81.07055	39.5
83.04994	1.2
83.08617	7.7
85.02900	13.4
85.06554	3.5
85.07053	0.5
91.03955	7.4
91.05480	14.2
91.06022	1.1
93.07042	23.7
95.04967	2.3
95.08607	27.2
97.02895	7.5
97.06519	1.7
97.10172	2.5
99.04426	1.0
99.08105	0.8
99.42461	0.6
105.07024	5.8
107.08594	14.3
109.06547	1.4
109.10155	77.6
110.10505	1.2
111.08075	2.7
115.03935	1.0
117.07013	2.7
119.08582	11.5
121.10142	12.5
123.08065	0.6
123.11703	3.1
125.09614	1.6
127.03954	3.3
131.08562	6.1
133.10132	5.0
135.11674	7.5
137.09625	3.3
137.13222	1.1
143.08553	0.8
145.04967	4.6
145.10118	5.0
147.04445	0.8
147.11691	2.7
149.13257	5.2
155.10658	3.8
159.11696	3.5
161.13220	3.6
163.06052	3.8
163.14835	3.1
169.12408	0.6
173.11758	24.0
173.13240	3.2
175.03899	1.4
175.14850	0.9
177.16385	0.8
187.14766	2.1
189.11195	0.8
201.16408	0.9
213.09093	0.7
213.16444	0.7
227.12744	5.7
229.14348	94.4
230.14584	0.8
233.22704	0.7
243.21080	5.0
261.22128	18.3
268.66211	0.7
317.24738	3.0
333.24396	0.8
335.25800	64.5
336.25894	0.9
337.58502	0.7
379.29965	1.7
397.30927	1.2
415.32037	2.1
423.27579	0.7
471.34549	2.2
489.35748	45.3
490.36032	1.2
506.39069	0.8
507.36743	6.3
595.28656	0.7
848.48578	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	3.4
61.02926	9.2
64.80986	0.5
65.03934	2.8
67.05503	85.9
68.05826	0.8
69.03431	2.9
69.07069	7.9
71.04988	3.3
71.09226	1.1
71.09543	0.7
71.14043	0.6
73.02924	3.4
74.96704	0.7
75.07988	0.6
79.05489	19.7
79.70386	0.6
81.07056	36.0
83.04994	1.5
83.08615	6.8
85.02900	14.1
85.06548	2.7
91.03959	7.7
91.05477	13.8
93.07040	26.8
95.04961	2.3
95.08603	23.6
96.08964	0.6
97.02887	6.8
97.06525	1.7
97.10162	2.4
99.04436	1.0
105.07037	8.2
107.08583	13.3
108.03364	0.6
109.02841	0.7
109.10153	73.3
111.08102	3.5
117.07020	2.8
119.08580	10.9
121.10138	11.4
123.08048	0.9
123.11674	5.0
125.09627	1.2
127.03915	3.3
131.08591	6.4
133.10126	5.9
135.08057	0.9
135.11700	9.0
137.09628	3.1
137.13246	1.2
145.04959	4.5
145.10141	4.7
147.11710	4.2
149.13251	6.6
155.10660	4.1
159.11739	3.6
161.13257	2.6
163.06012	5.0
163.14859	2.1
173.11760	22.9
173.13274	3.6
175.14864	1.8
177.16428	1.5
178.75711	0.6
180.08662	0.7
187.14795	2.2
189.11188	1.3
201.16443	0.7
213.14676	0.8
227.12738	6.1
229.14340	100.0
233.22670	0.8
243.21098	5.8
261.22134	23.8
279.34131	0.7
294.34177	0.7
317.24753	3.1
335.25793	84.0
336.26126	1.7
379.29803	1.5
391.60309	0.6
397.30890	2.2
415.31995	1.3
435.31030	0.9
471.34589	3.1
489.35733	84.1
490.36377	2.9
507.36877	8.0
572.44391	0.8
633.40002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2285
Annotation	Isorhamnetin 3-(6''-(E)-sinapoylsophoroside)
Peak:m/z	Relative Intensity
65.03940	1.2
67.05497	0.4
68.99780	0.4
69.03433	2.3
69.07059	0.3
70.06574	0.6
71.04980	0.5
71.53542	0.3
76.03163	0.3
77.03908	0.5
81.03416	4.7
81.07058	0.4
84.08144	0.3
85.02912	3.4
89.03922	0.3
91.05479	14.5
92.02609	0.3
93.03384	0.5
93.07040	0.3
95.04945	0.5
97.02878	1.4
99.04436	0.8
103.05465	0.8
105.03387	0.6
105.07028	0.4
107.04890	0.3
107.08571	0.5
109.02863	2.1
109.10135	0.2
111.04349	0.2
118.04158	0.3
118.65545	0.2
119.04939	23.2
121.02868	1.0
121.06487	0.3
123.04403	0.4
127.03923	1.6
129.03369	0.6
131.04951	0.2
132.02036	0.8
133.02824	0.5
135.04361	0.7
136.05264	0.4
137.02286	1.4
137.05984	0.4
137.09622	0.3
139.03899	0.6
140.50058	0.2
145.02831	0.7
145.10185	0.2
147.04407	21.3
149.02336	0.8
151.03889	3.6
151.04939	0.3
153.01828	3.4
153.05493	0.2
157.03958	1.9
161.05991	0.4
163.03876	0.8
164.04654	0.6
165.01830	0.5
167.06912	0.4
171.02933	0.5
175.03903	41.9
176.04346	0.7
177.05479	0.9
179.06978	1.8
192.04172	0.8
201.05502	0.4
203.03426	0.2
207.06522	100.0
208.06857	1.1
209.07907	0.3
217.04907	0.3
225.07594	0.5
228.04128	0.4
229.04968	1.4
245.04408	0.6
246.05322	0.7
257.04376	1.3
260.03101	0.3
271.06015	1.4
273.03900	0.9
274.04736	2.6
285.03979	2.3
287.05447	2.5
302.04172	9.4
317.06555	62.7
318.06989	1.9
351.10764	6.5
369.11798	7.3
400.87085	0.3
685.18359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12088	0.1
65.03926	0.1
67.01865	0.4
67.05489	0.2
68.99438	0.1
68.99780	0.6
69.03427	0.5
70.06576	0.3
71.04977	0.1
71.53088	0.1
78.36388	0.1
79.05476	0.2
81.03413	0.2
81.07032	0.2
83.04970	0.2
84.08142	0.1
85.02911	0.3
91.05476	0.6
93.07037	0.2
95.04982	0.2
95.08595	0.1
97.02883	0.2
99.04491	0.1
101.02376	0.7
103.05474	0.1
105.03427	0.1
105.07013	0.3
107.04965	0.2
107.08573	0.1
109.02868	0.3
109.06512	0.1
109.10140	0.1
111.04453	0.8
115.05458	0.1
117.07005	0.1
119.03412	0.1
119.04944	1.6
119.08539	0.1
121.02872	0.7
121.06512	0.1
121.10130	0.1
123.04411	0.2
124.05186	0.1
125.06010	0.1
127.03903	0.3
129.01869	0.1
129.05492	0.4
129.07007	0.1
131.04874	0.2
133.06447	0.1
133.10135	0.1
135.04425	0.1
135.07979	0.1
136.06221	0.1
137.05971	0.2
145.02835	0.7
145.06505	0.1
145.10094	0.1
147.04358	0.3
147.06482	0.1
147.11693	0.1
151.03857	0.1
152.04665	0.1
153.01825	3.8
157.06473	0.1
159.07985	0.1
159.11592	0.1
161.05939	0.1
162.05565	0.1
163.03902	0.4
165.05562	0.1
167.07040	5.4
168.07356	0.1
169.06615	0.1
171.02867	0.9
173.05943	0.1
175.03891	0.2
175.07613	0.1
177.05515	0.2
179.06984	0.3
187.03932	0.1
193.08496	0.1
197.06046	0.1
203.07083	0.2
207.04582	0.1
207.06517	1.6
215.07152	0.1
225.05498	0.4
225.81866	0.1
229.04991	0.3
243.06573	0.2
247.05963	0.1
247.08087	0.7
253.04765	0.1
253.07063	0.5
267.05930	0.1
267.08652	1.8
271.06006	100.0
272.06323	1.9
283.05954	0.3
285.07388	0.1
287.05457	0.2
297.09778	0.1
311.07813	0.1
313.07028	0.3
363.08554	0.1
381.09473	0.1
433.11346	1.2
534.12842	0.1
690.68640	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	845.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.0
67.01858	0.3
68.99801	0.2
69.03404	0.2
70.06561	0.1
70.55750	0.2
70.82565	0.1
71.04993	0.4
75.04424	0.1
79.05470	0.1
81.03416	0.4
81.07007	0.1
83.04964	0.1
85.02435	0.1
85.02899	0.9
91.05479	0.3
93.07005	0.1
95.04926	0.2
95.08586	0.1
97.02885	0.3
99.04427	0.1
105.03385	2.6
105.06969	0.1
109.02885	0.3
111.04403	0.1
119.04129	0.1
119.04933	1.3
119.08536	0.1
121.02848	0.5
121.10085	0.1
123.04393	0.2
127.03917	0.5
129.01842	0.1
129.05437	0.2
133.02690	0.1
133.10083	0.1
136.06194	0.4
145.02834	0.6
145.04906	0.2
147.04349	0.1
147.06514	0.1
149.02339	0.1
151.03867	0.1
153.01817	3.2
162.07726	0.1
163.03902	0.3
167.06996	0.1
171.01804	0.0
171.02930	0.5
175.03882	0.1
176.07019	0.1
177.05475	0.1
178.04951	0.1
185.09619	0.1
187.03804	0.1
187.10936	0.1
203.07008	0.1
206.04535	0.1
207.06505	0.1
215.07188	0.1
225.05446	0.3
229.04936	0.3
243.06424	0.2
247.06070	0.2
249.07613	1.0
253.04842	0.1
267.08701	0.4
270.05157	0.1
271.05991	100.0
272.06323	2.1
287.05463	0.1
313.06989	0.1
317.06433	0.1
374.91675	0.1
433.11169	0.1
537.13910	15.9
538.14355	0.6
579.15906	0.1
699.19525	0.4
845.24438	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	845.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12088	0.1
65.03926	0.1
67.01865	0.4
67.05489	0.2
68.99438	0.1
68.99780	0.6
69.03427	0.5
70.06576	0.3
71.04977	0.1
71.53088	0.1
78.36388	0.1
79.05476	0.2
81.03413	0.2
81.07032	0.2
83.04970	0.2
84.08142	0.1
85.02911	0.3
91.05476	0.6
93.07037	0.2
95.04982	0.2
95.08595	0.1
97.02883	0.2
99.04491	0.1
101.02376	0.7
103.05474	0.1
105.03427	0.1
105.07013	0.3
107.04965	0.2
107.08573	0.1
109.02868	0.3
109.06512	0.1
109.10140	0.1
111.04453	0.8
115.05458	0.1
117.07005	0.1
119.03412	0.1
119.04944	1.6
119.08539	0.1
121.02872	0.7
121.06512	0.1
121.10130	0.1
123.04411	0.2
124.05186	0.1
125.06010	0.1
127.03903	0.3
129.01869	0.1
129.05492	0.4
129.07007	0.1
131.04874	0.2
133.06447	0.1
133.10135	0.1
135.04425	0.1
135.07979	0.1
136.06221	0.1
137.05971	0.2
145.02835	0.7
145.06505	0.1
145.10094	0.1
147.04358	0.3
147.06482	0.1
147.11693	0.1
151.03857	0.1
152.04665	0.1
153.01825	3.8
157.06473	0.1
159.07985	0.1
159.11592	0.1
161.05939	0.1
162.05565	0.1
163.03902	0.4
165.05562	0.1
167.07040	5.4
168.07356	0.1
169.06615	0.1
171.02867	0.9
173.05943	0.1
175.03891	0.2
175.07613	0.1
177.05515	0.2
179.06984	0.3
187.03932	0.1
193.08496	0.1
197.06046	0.1
203.07083	0.2
207.04582	0.1
207.06517	1.6
215.07152	0.1
225.05498	0.4
225.81866	0.1
229.04991	0.3
243.06573	0.2
247.05963	0.1
247.08087	0.7
253.04765	0.1
253.07063	0.5
267.05930	0.1
267.08652	1.8
271.06006	100.0
272.06323	1.9
283.05954	0.3
285.07388	0.1
287.05457	0.2
297.09778	0.1
311.07813	0.1
313.07028	0.3
363.08554	0.1
381.09473	0.1
433.11346	1.2
534.12842	0.1
690.68640	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	845.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.1
67.01874	0.5
67.05492	0.1
68.99780	0.5
69.03429	0.5
69.07051	0.1
70.06596	0.2
70.85936	0.1
70.86272	0.2
79.05476	0.1
81.03406	0.2
81.07027	0.1
83.04984	0.2
84.04517	0.1
85.02894	0.3
91.05468	0.5
93.07037	0.1
95.08635	0.1
97.02867	0.1
101.02388	0.7
103.05454	0.1
105.03391	0.1
105.06998	0.1
107.04940	0.1
109.02869	0.2
109.10165	0.1
111.04416	0.5
119.04941	1.9
121.02856	0.7
121.10150	0.1
123.04406	0.2
127.03909	0.1
129.01793	0.1
129.05499	0.3
131.04895	0.1
136.06201	0.1
137.05983	0.2
145.02832	0.8
145.10104	0.1
147.04417	0.2
147.07884	0.1
152.04791	0.1
153.01828	4.1
161.06023	0.1
163.03961	0.4
167.07036	4.8
169.06340	0.1
171.02888	0.9
171.04285	0.1
175.03845	0.2
176.07082	0.1
177.05527	0.1
179.07024	0.2
187.03978	0.1
187.11125	0.1
191.06975	0.1
203.07053	0.2
207.04607	0.1
207.06519	1.8
225.05396	0.4
229.04967	0.4
235.05957	0.1
237.23164	0.1
243.06490	0.3
247.06181	0.1
247.08112	0.6
253.04768	0.1
253.07027	0.7
267.06442	0.1
267.08627	2.2
271.06003	100.0
272.06335	1.9
283.06024	0.2
285.09698	0.1
287.05475	0.1
295.06042	0.1
297.09689	0.1
313.07141	0.2
324.98370	0.1
363.08453	0.1
372.55908	0.1
381.09732	0.2
399.10751	0.1
433.11288	1.0
514.05383	0.1
535.53271	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	834.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25703	0.6
59.87693	0.5
61.02924	22.4
66.92681	0.6
67.05505	8.9
69.03421	3.2
69.07069	8.0
70.06540	0.7
71.04949	0.8
71.08629	31.9
71.53540	1.1
73.02909	7.8
75.04461	1.6
79.05468	1.4
81.03407	1.6
81.07055	14.3
83.04957	0.7
83.08614	13.1
85.02900	30.3
85.06527	0.8
85.10181	17.6
89.06025	0.9
90.74200	0.8
91.03952	27.1
95.04942	1.0
95.08604	25.4
97.02890	14.1
97.10161	6.2
99.04432	2.4
99.11718	1.2
103.03914	0.7
103.07549	1.2
109.02865	0.9
109.10159	13.5
111.11724	1.3
113.13234	0.7
115.03920	1.5
122.14938	0.7
123.11693	5.2
125.13239	1.2
127.03917	11.5
137.13239	2.5
145.04959	15.3
151.14848	1.2
163.06007	28.4
221.22723	0.9
239.23688	18.5
257.24786	5.3
297.20825	0.6
298.27533	0.6
313.27350	100.0
314.27692	2.0
325.11224	2.0
331.28418	46.4
332.29114	0.8
381.83902	0.6
457.31396	0.7
475.32721	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	844.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	3.5
67.05505	13.1
69.03429	0.7
69.07058	2.5
71.04987	0.9
71.45718	0.8
73.06532	0.5
77.11811	0.4
79.05495	1.3
81.03419	1.2
81.07050	1.2
83.01328	0.9
85.06544	8.9
91.05461	3.4
93.07018	1.1
95.01304	1.7
95.04967	4.0
95.08625	0.6
103.05450	0.9
105.07027	1.3
107.04943	0.8
107.08523	0.8
109.10152	1.0
115.05441	1.0
117.07011	0.8
119.04934	1.4
119.08575	0.7
121.06505	0.7
121.10130	1.4
128.06253	0.7
129.07004	0.7
131.04886	3.8
131.08504	0.5
133.06488	0.6
133.10141	0.6
141.06967	0.6
142.07785	0.8
143.04900	0.5
143.08539	1.1
145.06435	1.4
145.10124	0.7
147.04396	8.7
147.08044	0.8
155.08478	1.2
157.10129	1.9
159.04405	5.4
159.11652	1.0
161.05983	1.0
163.03899	4.1
163.26715	0.5
165.06981	0.5
167.08577	0.7
169.06496	0.4
169.10075	0.9
171.04422	0.9
171.08038	1.0
173.05974	1.7
173.09529	0.6
175.03897	100.0
176.04419	1.6
177.05446	8.1
179.08545	0.8
181.10114	0.5
183.08031	1.0
183.11742	1.2
184.07375	0.6
185.09567	0.9
185.13286	0.4
187.03903	24.5
187.07494	2.7
187.11215	0.5
189.01649	0.4
189.05460	7.1
191.03477	0.8
193.10223	0.6
195.08022	1.1
195.11784	0.7
197.09595	1.4
198.06750	1.1
199.03920	5.6
199.07516	0.8
199.11159	0.8
199.14839	0.7
201.05444	5.1
201.09117	1.0
203.03395	4.8
203.07018	3.2
203.10585	0.9
205.04907	1.2
208.31096	0.4
209.09602	0.6
211.07553	0.9
211.11134	0.8
212.04695	0.5
213.05486	2.9
213.09053	1.9
213.12648	0.6
215.07043	1.4
216.06541	1.3
217.05013	1.2
217.08566	1.8
219.06183	0.5
221.09552	0.5
223.07698	0.6
225.09135	1.0
225.12852	0.4
226.06265	5.4
227.07008	1.7
227.14267	1.9
228.07774	1.8
229.08591	29.4
230.09058	0.5
231.06522	0.9
231.10143	8.8
239.06897	0.5
241.08582	20.5
242.08954	0.7
243.10161	23.1
245.08012	1.8
247.09647	78.2
248.09946	1.3
253.08574	1.8
253.12384	0.9
255.10143	4.3
259.09634	6.0
265.10822	1.0
269.11563	0.7
271.09439	0.9
277.15924	1.3
295.13257	7.5
295.16907	1.7
303.53192	0.5
305.15234	0.7
306.16190	0.6
307.16678	0.7
313.14325	26.6
323.16183	1.2
331.15390	49.1
332.15756	1.1
333.14734	0.6
334.02472	0.6
351.15860	2.0
352.16525	0.5
373.17929	0.8
391.19250	2.1
409.19986	1.1
411.17911	1.7
419.18475	0.9
437.19696	2.8
455.20654	1.1
455.92133	0.6
625.22418	0.6
669.17566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	4.7
64.73669	5.1
65.03951	8.8
67.05503	71.1
69.03428	11.1
69.07075	43.3
69.26537	37.1
69.26953	9.7
71.04990	7.4
77.03908	4.6
79.05492	100.0
81.03422	15.6
81.07055	77.4
83.05021	6.4
83.08615	14.3
84.91871	4.5
85.06561	10.1
85.53369	4.9
90.12244	4.7
91.05474	94.5
93.07050	92.1
95.04974	26.4
95.08615	58.8
97.06531	8.4
97.10155	13.5
100.03877	5.3
103.05434	10.2
105.03448	6.6
105.07036	75.7
107.04960	18.1
107.08594	59.8
109.02864	5.5
109.06494	24.1
109.10142	29.5
115.05473	15.3
117.07025	42.7
119.08606	54.8
120.46383	4.3
121.06509	14.1
121.10148	50.3
123.08089	16.6
123.11665	7.8
125.02365	6.7
128.06253	15.0
129.07002	34.3
131.04948	14.1
131.08556	58.2
133.06497	16.6
133.10124	41.4
135.04428	7.0
135.08060	16.6
135.11665	43.0
141.06982	19.5
142.07803	15.4
143.08577	57.2
145.06499	25.2
145.10143	68.8
147.04417	10.1
147.08066	19.2
147.11700	30.3
149.06009	5.4
149.09554	6.5
149.13255	16.9
153.06972	7.7
154.07805	6.0
155.08556	35.2
156.09354	11.5
157.06505	13.1
157.10130	43.1
158.07216	4.7
159.08070	26.4
159.11694	29.1
161.06000	9.8
161.09592	16.7
161.13242	15.5
163.11217	7.6
165.06998	10.1
166.07758	7.1
167.08545	22.2
168.09349	12.0
169.10080	41.6
169.11127	3.9
171.08034	27.0
171.11734	27.6
172.08881	6.4
173.06004	7.2
173.09647	22.0
173.13275	17.3
175.03940	6.7
175.07597	15.9
175.11328	6.9
175.14841	13.3
177.12714	6.3
178.07771	10.6
179.08572	16.3
180.09389	6.3
181.10144	30.8
182.10867	5.6
183.08078	18.1
183.11723	38.8
184.12372	5.8
185.09676	24.5
185.13260	25.6
187.07588	6.7
187.11143	16.7
187.14828	10.8
189.09096	7.0
189.12753	14.8
191.08438	6.4
191.14333	5.0
192.09331	6.6
193.10191	28.4
193.11873	5.1
195.08051	16.6
195.11676	26.4
196.12329	6.2
197.09622	28.6
197.13280	15.8
199.07462	8.8
199.11212	13.2
199.14813	8.9
201.09106	6.7
201.12799	9.3
201.21019	5.4
205.10274	10.7
205.12148	6.6
206.10963	8.0
207.11751	22.7
208.12468	6.8
209.09599	16.7
209.13258	14.1
211.07553	7.5
211.11235	17.1
211.14845	8.0
213.09090	7.5
213.12735	11.8
215.10767	13.2
215.14325	6.2
217.10193	5.5
219.11806	10.4
221.09659	13.7
221.13309	5.7
223.11197	18.4
223.14851	8.6
225.09247	10.9
225.12779	14.3
225.16469	8.5
227.10672	12.5
227.14355	11.3
229.12299	12.6
229.15912	8.4
233.09596	10.8
233.13260	8.9
235.11224	16.5
235.14969	7.5
237.09076	6.4
237.12782	13.2
239.10698	10.8
239.14360	12.1
241.12209	11.1
245.13278	6.2
247.11205	7.4
249.12680	9.5
253.12160	9.8
255.10187	5.3
255.13849	11.9
257.15384	8.2
259.14755	6.4
259.20587	7.3
260.11819	8.5
262.81708	5.3
263.10709	10.6
263.14325	9.8
265.15894	11.8
271.13348	11.9
273.14938	29.9
277.16357	6.9
277.21637	62.5
295.16837	7.2
305.15320	6.2
307.17081	7.1
331.19223	9.3
355.22662	11.1
359.18762	11.1
431.21985	5.8
437.26968	35.6
460.26517	5.8
471.24985	6.6
560.31097	16.6
574.36652	5.8
591.35162	9.0
593.36273	17.4
595.37152	7.9
600.34344	8.4
609.39716	23.7
611.37036	17.1
617.35699	16.8
618.35791	22.6
619.34149	7.9
627.39166	19.1
629.38452	54.6
631.38080	8.3
633.38983	10.2
635.37219	22.8
637.34906	17.6
649.38501	7.5
651.40228	13.0
652.40704	4.8
653.38177	26.9
655.36096	16.6
669.41449	42.2
671.39355	40.8
673.36969	9.1
677.37830	14.7
685.40912	26.4
687.42377	54.1
695.39496	9.2
713.40082	25.4
731.41486	27.8
753.45300	6.1
764.41492	6.0
833.47388	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	9.0
62.68886	0.6
65.03941	3.7
65.50558	0.5
66.44943	0.6
67.05501	20.8
69.03408	2.5
69.07063	8.7
69.27563	1.0
69.27961	5.9
71.04986	2.9
73.06535	1.5
79.05491	7.4
81.03416	7.4
81.07050	5.4
83.01332	0.6
83.04970	2.4
83.08598	1.9
85.06076	0.7
85.06544	7.6
91.05471	14.2
93.03358	0.7
93.07041	8.9
95.01321	19.5
95.04964	35.1
95.08595	7.1
97.06519	0.9
103.05448	2.1
105.03383	0.9
105.04485	1.0
105.07027	17.2
106.07343	0.6
107.04943	1.9
107.08588	7.2
109.06507	2.6
109.10151	4.2
111.08083	1.4
111.11698	1.6
115.05448	4.1
117.06995	5.3
119.04913	4.5
119.08583	12.8
121.02821	0.8
121.06489	6.1
121.10137	7.2
123.04425	1.5
123.08047	2.4
123.11692	2.4
127.07616	0.8
128.06184	4.0
129.07010	7.1
130.07809	1.0
131.04918	11.5
131.08568	9.1
133.06490	7.5
133.10117	6.6
135.04399	0.7
135.08023	1.7
135.11688	2.5
137.05977	1.6
137.09550	1.5
139.11142	0.9
141.06976	3.7
142.07790	5.3
142.15288	0.6
143.04921	1.4
143.08556	13.9
144.09305	1.2
145.06474	5.8
145.10117	13.0
147.04399	14.0
147.08034	3.2
147.11664	7.8
149.05968	2.3
149.13214	2.2
151.11203	2.4
152.06192	1.3
153.06998	2.0
154.07739	1.7
155.08553	6.0
156.09337	3.4
157.06476	1.8
157.10124	12.1
158.07253	0.8
158.10942	1.2
159.04413	14.8
159.08046	4.5
159.10481	0.7
159.11705	11.4
160.12152	0.7
161.05971	17.5
161.09592	2.3
161.13260	4.8
162.06387	0.8
163.03903	5.8
163.14787	1.0
165.07014	2.4
166.07838	1.5
167.08537	4.1
168.05695	0.8
168.09384	1.3
169.06416	3.3
169.10117	8.8
170.10812	1.5
171.04413	2.6
171.08026	4.7
171.11688	6.1
173.05959	5.3
173.09636	3.1
173.13283	4.6
175.03902	100.0
175.07272	4.0
175.11180	2.4
175.14758	0.6
176.04221	2.8
177.05478	11.1
177.12691	0.7
178.07724	1.3
179.08549	3.4
180.09322	2.4
181.06483	1.2
181.10088	4.3
182.07224	1.0
182.10893	1.6
183.08041	2.0
183.11650	4.9
185.05977	2.4
185.09583	6.7
185.13316	3.7
187.03899	45.1
187.07513	6.4
187.11183	13.4
187.14813	2.8
188.04253	1.0
189.01849	0.8
189.05467	12.4
189.07071	1.2
189.09061	1.0
189.12747	2.4
191.03415	1.1
191.08600	1.3
192.09312	1.8
193.04907	1.6
193.10130	3.4
194.10876	1.3
195.08020	2.8
195.11745	4.1
196.12428	1.1
197.05997	0.9
197.09621	4.2
197.13181	2.9
198.06728	1.6
199.02081	0.7
199.03897	14.5
199.07513	4.7
199.11209	3.4
199.14816	2.4
201.05467	13.8
201.09129	2.8
201.12753	1.5
201.16286	0.8
203.03372	6.2
203.06999	5.2
203.08627	0.9
203.10617	1.4
203.14360	1.8
205.04959	3.8
205.10161	1.6
206.10944	2.5
207.11584	3.0
208.12447	0.9
209.09561	2.5
209.13274	3.1
210.10432	0.8
211.07439	3.9
211.11058	2.8
211.14752	4.3
212.04675	2.8
213.05470	12.8
213.08922	3.9
213.12733	2.0
213.16335	2.0
214.06128	0.8
215.06996	6.3
215.08783	0.8
215.10541	4.5
215.14261	2.3
216.06709	0.8
216.09343	2.1
217.05009	1.2
217.08540	3.8
217.12079	0.9
217.15846	0.7
219.06438	1.5
219.08322	1.0
219.11789	3.0
221.09743	0.9
221.13251	2.9
222.10310	0.8
223.07700	0.8
223.11192	2.8
223.14738	1.6
224.11885	0.8
225.09129	1.8
225.12750	2.4
225.16408	1.3
226.06189	6.8
227.07042	8.5
227.10683	2.2
227.14294	2.5
228.07764	2.9
229.08592	35.4
229.15842	5.3
230.08826	1.0
230.10912	0.8
231.06482	1.5
231.09998	10.0
231.12144	1.1
231.17502	1.4
232.08803	1.2
233.09593	1.2
234.10332	1.1
235.11247	1.9
235.14758	1.2
237.12672	3.0
237.16400	1.0
239.07043	3.3
239.10699	0.7
239.14259	2.6
241.08585	37.7
241.15829	1.1
242.08894	1.0
243.10152	35.5
244.10542	1.6
245.08069	23.8
245.15466	1.1
246.08307	0.7
247.09590	45.6
248.11964	1.8
249.12712	4.8
250.13651	0.7
251.10638	1.4
251.14366	1.3
253.08580	5.5
253.12183	1.6
253.15858	1.2
255.10179	5.6
255.13670	0.9
257.08102	3.0
257.15436	1.1
259.09653	10.1
259.17084	0.9
263.14429	1.1
263.18155	0.9
265.12421	1.5
265.15723	1.4
266.12872	0.9
267.10156	1.0
267.13797	2.0
269.11670	1.7
269.15445	0.7
271.09595	1.6
273.18625	1.3
277.12259	0.7
279.10571	0.7
279.13931	0.9
279.17429	2.9
281.11801	0.7
281.19028	3.0
283.13345	1.2
283.16754	1.0
291.13940	1.5
291.17441	2.4
293.11932	0.7
293.15448	1.4
295.13284	16.7
295.16687	1.3
296.13757	0.7
301.18088	0.9
307.16782	0.9
309.18408	5.8
311.12723	2.1
313.14325	72.6
314.14575	2.5
319.16919	1.8
323.19989	0.9
331.15356	23.6
332.15781	1.1
333.18439	0.8
335.16339	1.0
335.20084	2.6
337.17963	3.6
339.16037	0.8
351.19394	2.5
353.17731	3.3
353.20920	3.3
355.15329	4.1
355.19193	2.0
361.18097	1.5
369.20670	1.6
374.59152	0.6
375.19104	0.8
379.19037	3.8
397.20071	15.2
398.20392	1.0
421.20197	1.3
439.20850	1.3
457.22321	6.3
458.22247	0.7
609.71594	0.6
829.37189	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	829.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	7.9
65.03934	3.6
67.05505	13.8
69.03423	1.4
69.07067	8.5
71.04978	2.8
71.30339	0.9
73.68211	0.6
78.61045	0.6
79.05503	4.0
79.37260	0.6
79.53857	0.6
81.03426	3.9
81.07063	4.3
83.01343	0.7
83.04957	2.2
83.08605	1.5
85.06540	6.5
90.65305	0.6
91.04969	1.2
91.05483	12.5
93.07037	5.6
95.01331	12.4
95.04372	1.3
95.04966	21.6
95.08596	5.3
97.06541	1.6
103.05460	2.7
105.07028	11.0
107.04928	1.9
107.08581	4.1
109.06508	2.0
109.10143	4.1
111.08073	1.1
111.11741	1.6
115.05444	3.6
117.07016	3.1
119.04925	3.4
119.08586	6.7
121.06498	4.1
121.10149	5.4
123.08061	1.2
123.11687	1.4
128.06226	3.0
129.07022	5.5
131.04929	12.0
131.08543	5.3
133.06497	5.8
133.10126	4.3
135.08017	1.2
135.11720	1.3
137.09555	1.0
141.06982	2.6
142.07710	3.1
143.04912	1.7
143.08568	7.4
145.06464	5.4
145.10139	6.1
147.04416	14.9
147.08070	1.9
147.11642	4.7
149.05995	1.4
149.09595	0.8
149.13274	1.2
151.11221	1.2
152.06085	0.9
153.06996	1.3
154.07785	1.0
155.08545	4.5
156.09306	2.1
157.06494	1.5
157.10130	7.4
158.07297	0.9
158.10928	0.7
159.04413	15.1
159.08038	2.4
159.11707	6.1
161.02444	0.8
161.05984	10.8
161.09601	2.0
161.13258	1.9
163.03914	6.3
165.07016	2.3
166.07770	1.5
167.08528	2.1
168.05635	0.8
168.09264	0.9
169.06502	2.0
169.10158	6.1
170.10854	0.8
171.04439	2.7
171.08060	3.8
171.11678	4.5
173.05981	4.6
173.09592	1.9
173.13243	2.5
175.03908	100.0
175.07471	2.3
175.11192	2.1
175.14751	0.8
176.04349	2.7
177.05498	11.7
178.07773	1.2
179.08496	1.8
180.09337	0.9
181.10107	1.7
182.10852	0.9
183.08022	2.1
183.11655	3.5
184.05249	1.0
184.08757	0.9
185.05959	2.7
185.09650	3.6
185.13243	2.0
187.03906	46.7
187.07442	4.4
187.11179	5.5
187.14835	1.2
188.04346	1.0
189.01892	0.8
189.05479	13.1
189.09113	0.8
189.12732	2.4
191.03438	1.2
192.09311	1.2
193.10123	2.1
195.08101	2.1
195.11719	2.3
197.06018	1.4
197.09622	3.0
197.13260	1.7
198.06703	1.3
199.03886	13.8
199.07581	3.7
199.11182	1.9
199.14856	1.0
200.04431	0.9
201.05461	9.7
201.09160	2.5
201.12794	1.2
203.03397	5.6
203.07034	4.8
203.10530	0.9
203.14136	0.8
205.04982	2.7
205.10170	1.2
206.10887	1.3
207.11708	1.3
208.12338	1.0
209.09680	1.8
209.13316	1.9
210.10474	0.7
211.07556	4.0
211.11108	2.2
211.14799	2.7
212.04698	2.1
213.05458	11.3
213.08981	3.7
213.12703	1.5
213.16238	1.0
214.06177	1.4
215.07054	7.6
215.10661	2.1
215.14275	2.6
216.06662	0.9
217.05003	1.8
217.08545	3.6
219.11642	1.0
221.09665	1.1
221.13266	2.4
223.07590	1.5
223.11163	1.3
223.14914	0.8
225.05447	0.9
225.09029	1.1
225.12677	1.2
226.06197	6.6
227.07016	6.7
227.10599	1.4
227.14333	1.3
228.07826	2.9
229.08594	33.2
229.15862	2.7
230.08885	1.6
231.06500	1.0
231.10085	10.6
233.13235	0.9
235.11243	1.2
235.14900	0.8
237.12680	2.0
237.16302	0.7
239.07019	3.3
239.14278	1.6
241.08592	36.1
242.08977	1.9
243.10170	37.7
244.10506	1.6
245.08083	23.3
247.09631	39.8
248.09976	0.9
249.12744	2.6
251.14357	1.6
253.08559	5.3
253.12379	1.2
255.07698	1.1
255.10023	5.0
257.08124	1.6
259.09634	11.2
265.15939	1.0
267.10114	1.0
267.13654	0.9
271.09625	1.7
277.15771	1.0
281.14969	0.8
283.13779	0.7
285.14914	1.0
291.14050	0.7
295.13293	16.0
301.18298	0.7
309.18399	1.8
313.14331	63.8
314.14709	3.5
321.15192	0.7
331.15399	17.9
337.17947	2.3
351.19608	1.1
353.21286	1.9
355.15225	1.8
369.20432	1.2
375.19510	1.3
377.20364	0.6
379.19189	1.5
393.20789	0.8
397.20209	5.6
403.18832	1.2
421.20078	2.6
439.21240	1.3
457.22162	4.2
567.62750	0.7
796.96527	0.8
829.36859	2.3
862.22205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11365	1.0
65.03938	3.8
67.05510	18.2
67.69868	1.1
69.07071	3.5
70.56833	1.9
70.57207	2.2
75.77096	1.3
77.74933	1.1
79.05497	2.6
81.03429	1.9
81.07073	2.2
83.01302	1.0
83.05007	1.5
83.23953	1.0
85.06553	10.1
87.95525	1.2
91.05477	5.2
93.07039	1.6
95.01311	2.1
95.04954	7.7
95.08631	1.9
105.06999	1.7
108.94104	1.0
109.10188	1.3
115.05447	1.7
119.04947	2.4
121.06496	1.2
121.10133	1.9
128.06212	1.6
129.06956	1.5
131.04945	3.7
133.06506	1.6
135.52339	1.0
142.07791	1.5
143.08594	2.4
145.10165	2.0
147.04405	11.5
157.10147	3.6
159.04453	6.3
159.11667	1.5
162.08928	1.1
163.03947	4.5
167.08592	1.5
169.10127	2.3
171.11723	1.1
173.06004	2.8
175.03911	100.0
176.04523	1.8
177.05501	7.4
183.11636	1.8
185.09593	1.8
187.03912	25.5
187.07587	1.9
189.05408	9.1
197.09634	1.8
197.13206	1.9
198.06845	1.7
199.03918	6.5
199.11200	1.9
201.05492	5.9
203.03407	4.3
203.07126	2.2
209.13350	1.3
211.07585	1.2
213.05479	3.0
213.09126	1.4
215.06911	1.1
217.04926	2.2
219.11768	1.5
225.12653	1.6
226.06271	6.3
227.06943	2.4
227.14377	6.8
228.07838	2.1
229.08606	29.8
231.10158	9.1
239.07144	1.6
241.08598	16.6
243.10196	23.1
247.09660	82.9
248.10161	1.5
253.08478	2.4
253.12270	1.9
255.10289	2.7
259.09659	5.8
267.17233	1.6
277.15878	2.4
295.13324	6.2
295.16974	2.8
313.14389	25.7
313.17987	1.7
323.16373	2.0
331.15414	39.3
351.15942	3.0
388.88333	1.1
391.19376	1.4
409.20169	1.6
419.18613	1.4
437.19717	2.3
528.36047	1.1
619.65643	1.2
633.77332	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	7.9
65.03934	3.6
67.05505	13.8
69.03423	1.4
69.07067	8.5
71.04978	2.8
71.30339	0.9
73.68211	0.6
78.61045	0.6
79.05503	4.0
79.37260	0.6
79.53857	0.6
81.03426	3.9
81.07063	4.3
83.01343	0.7
83.04957	2.2
83.08605	1.5
85.06540	6.5
90.65305	0.6
91.04969	1.2
91.05483	12.5
93.07037	5.6
95.01331	12.4
95.04372	1.3
95.04966	21.6
95.08596	5.3
97.06541	1.6
103.05460	2.7
105.07028	11.0
107.04928	1.9
107.08581	4.1
109.06508	2.0
109.10143	4.1
111.08073	1.1
111.11741	1.6
115.05444	3.6
117.07016	3.1
119.04925	3.4
119.08586	6.7
121.06498	4.1
121.10149	5.4
123.08061	1.2
123.11687	1.4
128.06226	3.0
129.07022	5.5
131.04929	12.0
131.08543	5.3
133.06497	5.8
133.10126	4.3
135.08017	1.2
135.11720	1.3
137.09555	1.0
141.06982	2.6
142.07710	3.1
143.04912	1.7
143.08568	7.4
145.06464	5.4
145.10139	6.1
147.04416	14.9
147.08070	1.9
147.11642	4.7
149.05995	1.4
149.09595	0.8
149.13274	1.2
151.11221	1.2
152.06085	0.9
153.06996	1.3
154.07785	1.0
155.08545	4.5
156.09306	2.1
157.06494	1.5
157.10130	7.4
158.07297	0.9
158.10928	0.7
159.04413	15.1
159.08038	2.4
159.11707	6.1
161.02444	0.8
161.05984	10.8
161.09601	2.0
161.13258	1.9
163.03914	6.3
165.07016	2.3
166.07770	1.5
167.08528	2.1
168.05635	0.8
168.09264	0.9
169.06502	2.0
169.10158	6.1
170.10854	0.8
171.04439	2.7
171.08060	3.8
171.11678	4.5
173.05981	4.6
173.09592	1.9
173.13243	2.5
175.03908	100.0
175.07471	2.3
175.11192	2.1
175.14751	0.8
176.04349	2.7
177.05498	11.7
178.07773	1.2
179.08496	1.8
180.09337	0.9
181.10107	1.7
182.10852	0.9
183.08022	2.1
183.11655	3.5
184.05249	1.0
184.08757	0.9
185.05959	2.7
185.09650	3.6
185.13243	2.0
187.03906	46.7
187.07442	4.4
187.11179	5.5
187.14835	1.2
188.04346	1.0
189.01892	0.8
189.05479	13.1
189.09113	0.8
189.12732	2.4
191.03438	1.2
192.09311	1.2
193.10123	2.1
195.08101	2.1
195.11719	2.3
197.06018	1.4
197.09622	3.0
197.13260	1.7
198.06703	1.3
199.03886	13.8
199.07581	3.7
199.11182	1.9
199.14856	1.0
200.04431	0.9
201.05461	9.7
201.09160	2.5
201.12794	1.2
203.03397	5.6
203.07034	4.8
203.10530	0.9
203.14136	0.8
205.04982	2.7
205.10170	1.2
206.10887	1.3
207.11708	1.3
208.12338	1.0
209.09680	1.8
209.13316	1.9
210.10474	0.7
211.07556	4.0
211.11108	2.2
211.14799	2.7
212.04698	2.1
213.05458	11.3
213.08981	3.7
213.12703	1.5
213.16238	1.0
214.06177	1.4
215.07054	7.6
215.10661	2.1
215.14275	2.6
216.06662	0.9
217.05003	1.8
217.08545	3.6
219.11642	1.0
221.09665	1.1
221.13266	2.4
223.07590	1.5
223.11163	1.3
223.14914	0.8
225.05447	0.9
225.09029	1.1
225.12677	1.2
226.06197	6.6
227.07016	6.7
227.10599	1.4
227.14333	1.3
228.07826	2.9
229.08594	33.2
229.15862	2.7
230.08885	1.6
231.06500	1.0
231.10085	10.6
233.13235	0.9
235.11243	1.2
235.14900	0.8
237.12680	2.0
237.16302	0.7
239.07019	3.3
239.14278	1.6
241.08592	36.1
242.08977	1.9
243.10170	37.7
244.10506	1.6
245.08083	23.3
247.09631	39.8
248.09976	0.9
249.12744	2.6
251.14357	1.6
253.08559	5.3
253.12379	1.2
255.07698	1.1
255.10023	5.0
257.08124	1.6
259.09634	11.2
265.15939	1.0
267.10114	1.0
267.13654	0.9
271.09625	1.7
277.15771	1.0
281.14969	0.8
283.13779	0.7
285.14914	1.0
291.14050	0.7
295.13293	16.0
301.18298	0.7
309.18399	1.8
313.14331	63.8
314.14709	3.5
321.15192	0.7
331.15399	17.9
337.17947	2.3
351.19608	1.1
353.21286	1.9
355.15225	1.8
369.20432	1.2
375.19510	1.3
377.20364	0.6
379.19189	1.5
393.20789	0.8
397.20209	5.6
403.18832	1.2
421.20078	2.6
439.21240	1.3
457.22162	4.2
567.62750	0.7
796.96527	0.8
829.36859	2.3
862.22205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	2.8
59.53518	0.3
61.02927	9.7
62.42943	0.3
63.74648	0.3
65.03929	0.9
67.05502	53.2
68.05830	0.3
69.03423	1.8
69.07066	5.1
69.89084	1.8
71.04984	1.6
71.08632	15.8
72.88610	0.3
73.02922	2.4
79.05476	1.1
81.03420	0.7
81.07054	12.2
81.07534	0.7
83.08239	0.2
83.08617	9.2
85.02906	10.9
85.06544	2.1
85.10180	8.9
87.04459	0.4
89.06037	0.8
91.03953	8.2
91.05480	3.0
93.07037	1.5
95.08607	14.0
96.04449	0.4
97.02885	6.1
97.10159	2.4
98.21455	0.5
98.83734	0.4
99.04475	0.7
99.11745	0.4
103.07591	0.6
107.08591	0.8
109.02891	0.6
109.10154	63.2
110.10473	0.6
111.08078	1.9
115.03907	0.7
119.08581	4.2
123.11712	2.1
125.09653	0.5
127.03908	3.3
127.11143	0.5
133.45694	0.3
137.09622	2.4
137.13245	0.8
145.04948	3.3
146.74046	0.4
151.14806	0.4
155.10637	3.6
162.07585	0.3
163.06004	4.3
168.69746	0.3
173.11739	19.1
180.08701	0.4
184.07327	0.4
221.22519	0.4
229.14343	100.0
229.55116	0.4
230.14694	2.0
239.23680	1.6
257.24808	1.4
298.27460	0.4
313.27359	80.3
314.27847	1.9
373.18295	0.6
450.63184	0.4
467.37320	66.5
468.37784	2.7
858.43585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	0.1
67.01855	0.3
68.99479	0.1
68.99790	0.3
69.03436	0.5
69.28625	0.7
70.06577	0.2
71.04996	0.9
73.02903	0.1
81.03006	0.1
81.03421	0.6
83.04968	0.1
85.02898	1.4
87.00816	0.1
87.04434	0.1
91.05478	0.4
92.66394	0.1
97.02888	0.3
99.04418	0.2
109.02869	0.5
119.04123	0.1
119.04941	1.3
121.02856	0.6
127.03899	0.7
129.01784	0.2
129.05437	0.3
131.56299	0.1
145.02844	0.6
145.04916	0.2
147.04358	0.1
147.06480	0.1
153.01822	4.0
163.03902	0.4
167.07048	0.1
171.02887	0.5
187.03957	0.1
187.05977	0.3
203.06989	0.2
207.06494	0.1
225.05399	0.3
229.04961	0.3
243.06480	0.1
247.05998	0.1
270.05142	0.1
271.05997	100.0
272.06320	3.3
272.09293	0.1
283.06033	0.2
303.04950	0.3
313.07117	0.4
381.09711	0.1
397.09039	0.1
433.11191	0.2
475.12289	0.8
519.11322	24.3
520.11652	1.1
680.55896	0.1
681.16687	1.5
682.16699	0.1
769.05603	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	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04689	2.9
61.02922	3.4
63.76634	2.9
65.03945	5.3
67.05505	100.0
69.03425	11.3
69.07065	36.2
69.27831	30.3
71.04993	11.1
75.62189	3.0
79.05495	85.8
81.03420	10.7
81.07053	96.9
83.04981	12.5
83.08616	17.8
85.02887	4.9
85.06523	5.0
91.05476	61.9
93.07046	86.0
95.04964	12.5
95.08607	58.1
97.02892	5.0
97.06525	13.9
97.10171	13.3
98.21586	4.9
105.07019	47.1
107.04955	5.5
107.08595	52.8
109.06530	9.4
109.10157	24.5
111.08083	4.5
117.06967	19.6
119.08572	34.4
121.06480	3.8
121.10121	33.5
123.08089	5.2
123.11711	7.5
125.09621	6.7
129.06979	5.8
131.08549	29.7
133.10115	24.3
135.08076	5.0
135.11676	12.0
139.11125	5.5
143.08583	9.5
145.10143	19.0
147.08078	5.5
147.11690	13.5
149.09601	5.7
149.13258	10.6
157.10161	7.1
159.11668	10.5
161.09666	5.1
161.13249	10.3
163.11194	3.6
169.10037	4.5
171.11673	7.8
173.13214	7.7
175.14786	3.4
177.12820	3.1
177.62120	3.9
183.11671	3.1
185.13297	5.6
187.14832	6.5
189.11241	4.1
189.12868	3.9
197.13309	3.1
203.12738	4.6
203.14468	3.9
205.16028	5.9
213.14832	6.0
241.14197	3.9
247.20676	3.3
255.15829	3.4
257.18997	9.6
261.22208	8.7
265.89511	3.2
269.17535	7.1
275.20087	40.6
277.21576	3.7
293.21091	12.1
335.25824	58.7
336.25992	4.7
349.23825	8.4
351.25192	3.4
367.24799	13.4
490.83707	3.1
529.38745	12.9
609.45221	5.0
627.45380	11.9
656.24878	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	821.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	18.5
57.07075	1.2
59.05003	0.6
61.02925	78.5
65.03950	2.5
67.05503	29.7
69.03429	27.0
69.03815	0.7
69.07067	6.1
71.01356	2.7
71.04990	5.8
71.08623	0.7
71.52901	0.8
71.53264	0.6
73.02915	23.3
75.04491	1.5
79.05493	17.6
79.05965	0.6
81.03419	21.9
81.07055	29.2
81.90279	0.6
83.01337	0.9
83.04984	4.1
83.08614	4.4
85.02903	100.0
85.06526	1.3
86.03201	1.0
87.04459	3.3
91.03954	55.1
91.05478	11.1
93.07038	21.9
93.07631	0.7
95.04977	3.8
95.08606	23.6
97.02889	70.4
97.06532	1.7
97.10161	1.6
98.03179	1.0
99.04449	12.7
101.02384	5.9
103.03944	8.3
103.32401	0.6
105.07035	8.2
107.04938	1.0
107.08595	11.8
109.02879	13.5
109.06517	2.1
109.10155	11.5
111.04434	2.3
111.08067	1.0
113.05978	0.8
115.03926	7.6
115.51627	0.6
117.05486	2.4
117.07005	4.3
119.08581	8.1
121.09309	1.1
121.10134	11.2
123.08071	1.6
123.11688	4.0
124.10484	0.6
125.09613	1.0
127.03918	37.7
128.06236	0.8
129.05479	4.7
129.06978	1.5
131.08577	7.1
133.10127	6.9
135.08087	1.0
135.11691	7.7
137.06007	1.2
137.09596	0.9
137.13280	2.3
139.03902	0.8
141.05403	1.1
142.23885	0.7
143.08484	1.9
145.04953	29.9
145.10115	5.5
147.08020	0.7
147.11734	5.1
149.09573	0.9
149.13229	4.2
151.11159	0.9
151.14786	0.7
155.06998	0.9
155.08528	1.0
157.10104	2.1
159.06461	3.2
159.07826	0.7
159.11696	5.2
161.09560	1.1
161.13272	3.9
163.06017	19.8
163.07411	1.1
163.11266	0.7
163.14839	3.5
165.05528	0.5
165.16243	0.7
169.04938	0.8
169.10034	1.1
171.06546	1.8
171.07896	0.7
171.11678	1.9
173.04477	0.7
173.09717	0.5
173.13249	5.4
175.11191	0.9
175.14821	1.5
177.12683	0.6
177.16347	0.9
183.06558	11.1
183.11581	0.7
185.09612	1.0
185.13210	2.2
187.14830	2.8
189.12764	0.6
195.11639	0.8
197.13222	0.9
199.05968	0.6
199.14720	1.7
201.07603	7.1
204.36015	0.6
205.15881	1.0
208.41238	0.6
209.13213	0.8
211.06020	0.7
211.14839	0.8
215.14345	0.7
215.17844	0.7
219.08487	0.9
229.07091	0.6
233.22519	1.0
241.19482	1.4
243.21043	5.0
259.20410	2.6
261.19446	0.9
261.22144	16.5
263.23651	0.7
271.08136	1.0
273.22235	0.9
277.21722	0.7
279.23059	1.4
285.22128	1.5
289.21527	1.0
290.35648	0.5
291.23126	0.8
297.21951	1.0
299.23337	0.7
303.23212	3.1
309.21790	0.7
315.23093	1.7
317.24744	2.1
327.23059	1.8
333.24255	1.1
335.25793	57.7
336.25949	2.3
341.24518	0.9
345.24060	1.5
351.23108	2.0
353.26566	1.8
359.25803	0.7
363.25336	2.6
369.24246	4.6
377.26917	4.0
387.25150	2.0
389.26639	1.7
405.26028	2.0
410.37189	0.6
419.27777	2.4
423.27124	0.8
442.71292	0.6
443.27866	5.1
446.26031	0.6
461.28912	4.7
479.30112	9.8
497.30673	2.5
822.21185	0.7
826.41986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	19.4
57.07080	1.4
59.04998	1.1
61.02926	71.9
65.03946	2.1
67.05506	27.8
69.03429	24.5
69.07066	7.4
70.02182	0.7
70.13242	2.6
71.01350	3.0
71.04987	4.2
73.02914	20.9
75.04488	1.0
79.05492	19.3
79.82455	0.6
81.03416	21.2
81.07056	25.9
83.01339	1.6
83.04982	4.7
83.08604	2.9
85.02902	100.0
85.06516	1.0
87.04464	2.9
91.03953	57.9
91.05476	13.0
93.07040	21.1
95.04962	4.3
95.08602	23.2
97.02890	68.0
97.06524	1.4
97.10183	1.3
99.04452	12.7
99.08117	0.8
101.02370	5.2
103.03938	10.1
105.07038	9.1
105.21435	0.8
107.04952	1.2
107.08596	13.1
109.02879	13.0
109.06531	1.8
109.10154	12.0
111.04448	4.4
111.05114	0.7
111.08155	0.7
115.03920	6.6
117.05502	1.9
117.07037	4.0
119.04926	0.8
119.08585	9.8
121.10139	11.1
123.04442	1.1
123.08038	1.1
123.11723	5.9
125.09718	0.8
127.03915	36.3
129.05478	4.8
129.07037	1.9
131.08568	7.7
133.10130	7.3
135.08018	0.8
135.11687	8.8
137.05986	1.1
137.09633	1.1
137.13264	1.5
139.03900	1.6
141.05486	1.1
141.06963	0.8
143.08598	2.4
145.04953	29.8
145.10126	7.1
147.11699	5.3
149.02359	2.7
149.09657	1.0
149.13254	5.9
151.11191	0.9
155.07065	1.1
155.08672	0.8
157.10182	1.7
159.06572	3.0
159.08096	0.8
159.11705	5.6
161.09686	1.0
161.13246	4.4
163.06001	19.1
163.11183	1.5
163.14836	2.2
167.08543	1.1
169.10132	0.8
171.06560	2.2
171.08014	0.9
171.11729	2.3
173.13246	5.5
175.04053	0.7
175.11118	0.9
175.14838	1.9
177.12798	1.1
177.16423	1.2
183.06546	8.5
183.11719	1.8
185.09622	0.9
185.13223	1.7
187.14874	3.3
193.04941	2.1
197.13275	0.7
199.03882	0.7
199.14903	1.5
201.07562	8.0
201.12711	0.7
201.16367	0.8
211.11041	0.9
213.16347	0.7
217.15768	0.9
219.08658	1.2
221.15591	0.8
228.23228	3.2
233.18970	0.8
241.07054	1.4
241.19630	0.8
243.21082	4.6
257.19089	1.0
259.20496	2.7
261.22107	15.7
273.22134	1.8
279.23154	1.3
285.22229	1.1
289.21768	0.9
291.23257	1.1
299.23785	1.0
303.23248	3.3
315.23251	2.1
317.06583	0.8
317.24857	1.3
319.22745	0.8
327.23224	1.7
333.24274	1.6
335.25784	53.7
336.26059	1.8
341.24713	0.9
351.23450	2.8
353.26819	2.0
363.25305	3.5
369.24216	4.1
377.26801	3.1
387.25345	1.3
389.26968	1.3
405.26636	1.4
419.27869	1.5
425.27063	0.9
443.28061	6.7
461.28784	4.8
479.30008	9.8
497.31131	2.5
633.89569	0.9
745.05035	0.8
822.36914	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	817.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
57.07066	5.3
65.03926	4.6
67.05505	26.2
68.99753	0.9
69.03436	4.4
69.07048	3.5
70.04224	1.5
70.04621	2.2
70.06577	4.1
71.04995	1.9
72.08163	1.1
76.80099	0.9
79.05479	3.3
81.03422	5.2
81.07040	3.5
83.04967	2.2
85.02901	5.5
85.06545	32.5
86.09666	1.7
91.05473	6.4
93.07022	2.8
95.04942	2.2
95.08566	2.4
97.02889	2.1
99.04432	1.2
101.02389	1.0
103.05501	1.5
105.07038	2.3
107.04949	2.5
107.08575	1.9
109.02865	4.5
109.06503	3.7
109.10143	1.9
111.04482	1.3
115.05447	1.0
117.07030	1.1
119.04948	2.4
119.08556	2.8
120.08086	1.0
121.10129	2.7
123.04410	1.1
127.03905	4.2
129.06938	1.2
131.04927	9.1
131.08508	1.7
133.02853	1.6
133.06450	1.7
133.10144	1.3
135.04427	1.9
135.08061	1.4
137.05966	3.3
145.10129	1.0
147.04404	14.5
149.05919	1.0
151.03886	1.5
151.07530	1.8
153.01860	2.5
155.08540	2.3
157.06567	1.4
159.04424	11.2
159.08063	1.8
161.05945	1.1
162.03101	1.2
163.03900	50.2
164.04320	1.3
167.07028	2.8
171.02951	1.5
171.04335	1.6
171.07968	1.1
173.05969	2.1
173.09669	2.7
175.03906	75.5
176.04333	2.0
177.05463	10.4
183.08044	1.6
185.06024	1.0
185.57198	1.0
187.03915	29.0
187.07542	10.3
189.05460	7.6
191.03424	1.2
193.08586	1.5
199.03900	5.1
199.07535	1.9
201.05492	5.7
201.09077	8.0
203.03429	11.0
203.07039	5.1
203.10724	1.3
204.04152	1.8
205.04961	100.0
206.05479	1.1
207.06474	4.4
211.07474	2.9
211.09488	1.3
213.05464	2.2
213.09073	1.2
215.03456	1.3
215.06963	1.9
217.04968	3.3
217.08545	2.2
219.06494	1.3
221.04512	1.1
223.06071	2.0
226.06227	4.0
227.06987	1.3
228.07927	1.3
229.08598	49.3
230.08989	1.1
231.10139	6.5
233.04405	2.0
241.08603	12.5
243.10170	22.6
245.08107	1.8
246.07616	1.6
247.09657	49.6
253.08597	2.2
255.10121	3.1
259.09628	4.9
261.11426	1.2
271.06116	6.9
271.09644	31.0
272.06390	2.9
273.07617	2.2
285.07632	4.4
287.05493	2.9
289.10696	32.9
290.11124	1.5
295.13239	4.3
301.07053	3.0
301.10495	1.3
302.07480	1.4
307.11652	1.5
313.11002	1.7
313.14340	16.7
330.46423	1.0
331.15378	43.3
337.10693	1.0
349.16473	2.3
379.11682	1.1
394.23340	1.1
397.12662	2.4
415.13855	5.2
433.14966	8.5
451.15985	2.7
685.02850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.218
Annotation	Kaempferol 3-(6''-sinapylglucosyl)-(1->2)-galactoside
Peak:m/z	Relative Intensity
57.03428	0.4
61.02913	0.3
65.03934	1.1
66.86465	0.1
68.99789	0.5
69.03431	1.7
70.06590	0.1
71.04993	0.3
73.02911	0.3
76.03135	0.2
77.03921	0.4
79.05505	0.1
81.03416	4.3
85.02905	3.0
87.04472	0.2
89.03912	0.3
91.05480	13.4
92.05816	0.2
95.04966	0.4
97.02895	1.2
99.04443	0.5
99.50074	0.1
103.05455	0.4
105.02791	0.1
105.03378	0.7
107.04971	0.3
109.02881	1.5
111.00810	0.5
111.04412	0.1
118.04169	0.2
119.04939	22.2
120.05264	0.4
121.02859	6.1
127.03899	1.9
129.03352	0.3
129.04437	0.1
131.04861	0.2
132.02100	0.8
133.02869	0.7
135.04420	0.4
136.05243	0.2
137.02338	0.7
138.61990	0.1
145.02840	0.6
145.04973	0.3
147.04407	21.0
148.04761	0.4
149.02368	0.7
149.05995	0.1
153.01808	2.3
157.02806	0.2
157.03978	2.2
157.06581	0.2
160.01497	0.2
161.06009	0.2
162.03148	0.2
163.03889	0.2
164.04718	0.7
165.01842	0.8
171.02890	0.4
175.03905	40.6
176.04260	1.0
179.07002	1.7
183.02875	0.6
185.05998	0.4
192.04193	0.7
194.02229	0.1
201.05415	0.3
207.06523	100.0
208.06851	3.0
212.69290	0.1
213.05470	0.8
219.06509	0.2
225.07509	0.4
231.06537	0.5
232.06664	0.1
241.04961	0.9
245.04419	0.2
247.43333	0.1
258.05240	0.5
259.05917	0.2
269.04053	0.2
271.05692	0.2
287.05490	65.0
288.05847	2.6
309.09589	0.2
329.06534	0.4
334.66608	0.1
351.10742	6.4
352.10950	0.3
369.11783	6.5
370.12131	0.3
655.16589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	3.0
59.05002	3.0
65.03941	2.7
65.17406	1.1
67.05506	13.3
69.03434	2.2
69.07066	8.7
71.04996	3.3
71.63565	1.1
79.05499	9.5
81.07056	13.6
83.01358	1.7
83.04978	4.4
83.08614	3.6
85.06538	6.8
89.05878	1.3
91.05485	13.2
93.07040	11.6
95.04962	3.0
95.08607	9.8
97.06553	3.4
97.10160	2.6
99.04459	1.4
103.05517	1.3
105.07037	17.4
107.04990	2.4
107.08588	11.5
109.06519	4.4
109.10130	6.0
113.08384	1.4
115.05450	2.6
117.07031	4.3
119.04939	2.8
119.08595	12.6
121.06504	3.8
121.10131	7.8
123.08073	3.5
123.11691	1.6
125.09647	1.9
128.06184	2.3
129.07027	4.5
130.07761	1.3
131.04929	6.5
131.08533	5.8
133.10130	14.4
135.08069	3.4
135.11661	4.1
139.07542	1.9
139.11200	2.4
141.06999	2.6
142.07785	3.1
143.08551	10.5
143.10757	1.4
144.09352	1.5
145.06471	2.5
145.10100	13.2
147.04413	11.6
147.08072	1.8
147.11655	6.1
149.09637	5.2
149.13229	1.3
154.07809	1.4
155.08568	6.5
156.09314	1.9
157.10135	14.6
159.04430	11.2
159.08060	2.2
159.11697	9.2
161.09653	5.8
161.13237	2.6
163.03850	5.7
163.11235	3.7
165.06989	2.8
167.08588	2.5
169.10063	7.7
171.04501	1.3
171.08063	1.4
171.11748	8.3
173.06024	3.4
173.09599	4.5
173.13223	6.6
175.03908	100.0
175.11229	5.1
175.14828	3.0
177.05467	9.5
177.12749	2.2
179.08647	2.3
181.10118	3.8
182.10896	2.1
183.11705	7.1
183.13037	1.1
185.06085	1.6
185.09618	2.1
185.13260	6.2
187.02243	2.3
187.03908	36.4
187.07533	2.8
187.11227	2.2
187.14783	3.7
189.01825	2.1
189.05453	12.3
191.10620	2.1
193.10144	2.1
195.11684	5.2
197.09624	1.5
197.13219	6.5
199.03922	11.1
199.07547	4.6
199.11189	2.0
199.14828	6.0
201.05453	8.3
201.12773	3.0
203.03395	6.7
203.07083	4.2
203.14308	2.5
207.11748	3.4
208.12544	1.5
209.13246	4.9
211.07574	1.9
211.11179	1.5
211.14832	4.3
212.04620	1.4
213.05469	9.9
213.09064	3.5
213.12778	1.6
213.16310	2.0
215.07002	6.3
215.14337	4.1
217.08646	2.7
217.15929	2.7
219.11703	1.9
221.13255	3.6
223.07607	1.8
223.14848	4.5
225.12749	1.6
225.16428	3.4
226.06229	8.0
227.07011	6.8
227.14546	1.6
227.17874	2.1
228.07730	2.3
229.08592	27.5
229.15831	1.8
231.02821	7.1
231.06592	1.8
231.10118	8.2
232.03435	1.3
233.15404	4.9
235.14885	2.8
237.16315	1.4
239.06998	2.7
241.08580	36.0
241.15746	1.6
243.10176	27.5
243.17371	1.5
245.08066	12.7
245.15379	2.8
247.09665	38.0
247.14644	1.4
249.16389	2.5
251.14226	1.8
251.18019	2.9
253.08673	3.8
255.10191	4.0
255.17523	1.2
257.08139	4.6
257.15457	2.1
259.09692	12.8
259.17035	2.2
263.17950	2.0
267.17432	2.5
269.19000	1.6
273.11282	2.4
275.18042	1.6
283.16943	1.3
283.20474	1.4
285.18481	1.4
293.18643	1.4
295.13290	12.1
305.18744	1.4
309.22263	3.6
311.19995	1.4
313.14346	54.3
323.20413	1.6
325.21613	2.7
327.23169	5.1
331.15390	21.3
335.19922	2.0
335.23669	1.3
351.23129	2.2
363.23334	1.5
377.24710	4.1
385.16422	7.9
389.24579	1.5
395.25931	7.8
403.30194	1.5
407.25656	11.7
413.27731	2.9
431.29581	9.0
449.30487	23.6
467.31656	23.7
485.32599	4.2
491.71634	1.5
535.65338	1.3
555.42950	1.3
575.39307	1.3
797.45721	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	808.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	15.3
57.07058	3.6
61.02905	4.9
67.05508	79.6
69.03412	3.5
69.07065	22.7
70.34740	9.6
70.35115	6.0
71.04986	3.5
79.05502	51.3
81.07062	78.4
83.05001	3.2
83.08609	13.5
85.02891	4.7
85.06556	5.8
90.39239	2.6
91.05474	29.8
93.06479	5.2
93.07045	74.6
95.04968	8.6
95.08617	68.0
97.06525	8.3
97.10179	10.0
103.82180	2.8
104.14382	3.0
105.07046	36.9
107.08599	48.3
109.10165	40.9
117.07022	14.3
119.08585	32.1
121.10143	39.7
123.08060	5.9
123.11697	9.0
125.09630	6.8
131.08577	17.1
133.10143	27.2
135.08015	4.5
135.11684	25.4
137.13197	2.8
145.10126	15.5
147.11690	22.0
147.79436	3.1
149.13208	14.8
157.10155	7.4
159.11691	15.9
160.72472	3.1
161.13261	17.7
163.14835	5.2
164.15245	2.7
165.12799	2.7
171.11711	5.8
173.11835	4.1
173.13271	11.1
185.13315	8.4
187.14850	8.1
199.14832	4.6
227.12679	6.7
229.14253	3.8
241.19437	8.3
259.20526	25.4
261.22147	11.9
270.34549	3.1
277.21655	21.6
292.06812	3.4
333.24411	15.1
335.25815	100.0
335.29880	4.9
351.25299	41.4
525.20752	3.3
611.46899	46.1
612.47028	3.7
617.00751	3.3
808.51666	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	806.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24899	1.8
57.03183	2.4
57.03434	24.5
57.07065	2.2
59.04993	3.3
61.02925	4.9
65.03924	6.5
67.05505	95.3
69.03433	13.5
69.06733	2.8
69.07069	35.9
69.33878	16.8
70.06581	2.9
70.55959	1.9
71.04996	13.4
77.03902	2.3
79.05494	73.2
81.03416	97.3
81.07053	100.0
83.04977	19.9
83.08152	2.9
83.08617	41.1
85.02910	11.2
85.06530	8.1
85.07008	2.5
86.09705	3.0
91.05481	81.6
93.06492	4.0
93.07046	61.5
95.04971	42.8
95.08611	36.3
97.02882	8.6
97.06525	17.6
97.10163	27.9
98.98799	1.8
99.04453	3.4
103.05458	2.8
105.03374	2.0
105.04421	2.1
105.07030	55.1
107.04965	17.1
107.08594	49.8
109.06528	13.1
109.10156	36.5
109.60313	2.0
111.04437	6.2
111.08071	13.7
113.05974	2.0
115.05421	3.8
117.07022	21.1
119.01263	1.8
119.08581	44.7
121.02878	1.8
121.06524	11.4
121.10130	23.8
123.04424	4.0
123.08054	11.6
123.11686	6.5
125.05934	1.8
125.09629	22.1
127.03886	5.3
128.06213	3.4
129.05495	2.4
129.06981	17.5
131.08566	32.2
133.06464	5.1
133.10123	39.9
134.10449	2.2
135.08026	7.6
135.11667	15.3
137.09645	6.5
139.11148	2.6
139.61092	1.8
141.07001	2.7
142.07831	4.0
143.08572	9.7
145.06476	4.7
145.10120	20.9
147.08011	7.6
147.11679	19.8
149.09631	18.5
149.13231	6.0
151.11194	10.5
153.09058	6.1
155.08447	4.5
155.10590	2.4
157.10146	16.8
159.07980	3.4
159.11699	16.6
161.09608	8.4
161.13266	3.9
163.11157	12.6
165.12714	3.1
169.10118	5.3
169.12206	2.1
171.10278	2.7
171.11699	6.4
173.09557	6.5
173.11768	4.9
173.13239	5.6
175.11180	10.4
177.12744	3.1
181.10226	2.0
181.12206	2.5
182.11057	1.8
183.11702	2.8
185.13255	3.5
187.11177	3.6
189.11198	8.1
189.12724	3.1
191.10736	3.0
193.12234	26.5
195.11696	2.8
195.13828	3.0
199.11194	2.2
199.13232	2.0
205.12234	2.8
209.11687	9.1
211.13268	6.2
223.13158	5.0
227.12775	20.6
229.14365	12.3
247.09515	2.3
249.14853	3.4
253.14383	11.7
255.15822	10.5
257.19028	5.2
267.15924	72.9
269.17444	20.9
273.18530	8.6
275.20044	24.1
283.15408	5.5
289.17874	2.4
291.19519	29.4
293.20950	2.1
299.20166	3.8
301.16397	6.1
304.53525	2.2
309.16992	2.9
315.23138	1.9
317.15961	3.3
347.22293	3.8
349.23709	21.1
351.22845	2.5
365.23297	12.3
367.25162	3.9
369.23956	3.6
419.23935	2.3
421.25690	5.2
429.26239	3.2
437.25140	6.0
443.27887	6.5
447.27405	22.6
449.30460	3.4
461.29004	62.3
462.29126	3.4
465.28241	2.6
467.31738	3.8
475.26550	2.5
477.27914	3.0
493.31476	5.8
501.31891	2.5
511.28894	8.5
519.32916	7.5
523.34302	4.0
541.35236	53.7
542.35327	3.3
559.36218	24.1
591.35889	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	802.291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.4
59.04971	0.3
59.56671	0.2
61.02931	0.4
65.03928	0.4
67.05503	2.4
69.03429	2.2
69.07062	0.9
69.38242	1.3
69.38651	0.5
70.06583	0.8
71.04977	0.4
73.02923	0.4
77.03915	1.6
79.05488	1.5
81.03419	3.5
81.07058	3.2
82.03785	0.2
83.04982	0.4
84.04481	0.2
84.08154	0.2
84.72471	0.2
85.02905	2.9
86.09700	0.3
87.04465	0.2
91.05476	2.8
92.05837	0.2
93.07050	1.3
95.04977	1.3
95.08607	2.6
97.02902	1.3
97.06516	0.4
98.21554	0.4
99.04460	0.8
103.05455	0.5
105.03385	1.3
105.07027	2.2
107.04944	2.0
107.08604	1.2
109.02886	2.0
109.06522	0.4
109.10149	3.3
111.04427	0.2
112.07616	0.2
115.05466	0.4
117.07024	0.4
119.04935	2.4
119.08566	0.5
120.05283	0.3
121.02851	0.5
121.06513	0.9
121.10131	1.5
123.04433	0.4
123.08101	0.3
123.11707	1.1
127.03951	1.2
128.06189	0.5
129.07065	0.3
131.04927	0.5
131.08546	1.2
132.04457	7.3
133.02852	9.9
133.06487	2.0
133.10098	0.5
135.04413	4.9
137.05966	0.3
141.06987	0.5
142.07738	0.3
143.08548	0.8
144.05711	0.8
145.02831	0.6
145.06506	1.9
145.10141	0.4
146.07283	0.4
147.04399	3.8
147.05519	0.3
147.08044	2.6
148.04700	0.4
149.05989	1.3
151.03900	11.0
153.01865	1.0
153.05489	0.3
157.06479	1.8
157.10117	0.5
159.04427	0.6
159.08063	2.3
160.03899	0.4
161.05980	0.9
161.09615	0.8
162.05501	0.4
163.03838	0.3
163.07585	0.3
165.05444	0.6
165.06927	0.3
167.07007	0.3
169.06462	0.5
171.08057	4.8
172.08690	0.3
173.05951	1.0
173.09633	1.5
174.05544	0.3
175.03894	3.2
175.07512	1.1
176.04297	0.8
177.05484	0.5
178.04993	59.4
179.05310	1.0
179.06900	0.4
183.08072	0.4
185.05954	0.5
185.09621	2.3
187.07541	3.8
189.05411	0.5
189.09116	0.5
191.07002	0.4
195.08101	0.3
197.09700	0.6
198.10371	0.4
199.07524	3.0
199.11177	0.7
201.09055	0.4
203.07007	0.4
206.04480	100.0
207.04756	2.1
207.06541	5.3
208.06870	2.4
211.11208	0.8
212.12022	0.2
213.09088	1.3
213.12704	2.7
215.10750	0.3
217.08594	0.7
227.14261	1.9
231.10081	0.3
237.12814	0.5
255.13799	44.8
256.14130	1.4
271.06000	20.8
272.06351	11.3
273.06659	0.4
273.14828	4.9
277.06912	0.6
287.05423	0.7
288.05750	0.2
291.15988	1.0
295.08142	0.3
297.14502	0.2
338.61353	0.2
351.10684	0.3
368.09732	0.4
381.16861	0.3
399.18033	3.7
417.19058	7.5
418.19348	0.3
433.11334	2.3
434.11594	3.1
435.11740	0.4
435.20099	0.6
460.17654	0.4
540.14728	0.2
622.22784	10.4
623.22723	0.8
640.23962	4.8
641.23822	0.5
743.21436	0.2
784.28888	1.1
784.41681	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64684	0.3
65.03941	0.8
67.01866	1.7
68.99792	1.3
69.03426	9.0
69.51820	2.9
71.01340	1.5
71.04993	1.8
77.03934	0.7
81.03416	0.8
83.04980	10.8
85.02899	3.7
89.03912	0.8
91.05479	16.6
92.05825	0.5
95.04970	1.0
97.02898	1.3
98.20824	0.9
99.04453	2.5
103.05450	0.9
105.03391	1.0
105.07026	0.9
107.04952	1.0
111.04436	7.1
117.19917	0.3
118.04110	0.4
119.04941	31.1
121.02893	0.4
121.06522	0.7
123.04387	0.5
125.05956	0.7
127.03902	0.6
129.05467	1.0
131.04939	1.3
132.02054	1.0
133.06490	1.3
135.04405	1.2
135.08038	0.9
137.06010	0.5
145.02846	0.5
146.03558	0.5
147.04405	28.4
148.04919	0.6
149.02399	1.0
151.03967	0.4
153.01819	12.8
157.03979	2.7
157.10106	0.4
159.04404	0.4
159.08133	0.4
161.05959	3.1
163.03976	0.6
164.04681	1.1
165.01869	0.7
166.45755	0.4
167.07057	8.7
169.04961	0.7
171.02892	7.3
173.06006	0.6
174.03117	0.6
175.03905	55.5
176.04337	1.3
177.05453	0.4
179.03406	0.4
179.07025	1.3
181.08691	0.4
183.02872	0.7
187.07445	0.6
189.05486	0.8
190.06184	0.9
191.03320	1.0
191.07062	1.2
192.04140	1.3
193.08618	1.0
195.02902	2.9
197.05913	0.5
198.06816	0.9
203.03407	0.7
205.04906	0.6
207.06523	100.0
208.06857	2.4
213.09120	0.9
217.05055	0.7
219.02928	0.9
219.06476	0.9
221.08070	3.0
224.06802	0.5
225.07364	0.4
229.08595	0.5
233.08067	0.8
235.06000	1.3
237.07401	0.6
241.08563	1.6
243.06386	0.4
245.04411	1.1
245.11615	0.5
249.07520	0.7
257.08109	1.1
261.04059	0.6
263.05545	1.7
273.08295	0.5
273.11169	3.1
275.09116	0.6
285.07596	2.4
286.07727	0.4
287.05957	0.8
287.09131	8.8
289.10580	1.2
291.12329	1.0
293.10150	0.7
299.09177	2.8
311.09293	0.4
317.10175	2.9
329.10001	0.5
335.11218	1.0
353.12311	35.7
354.12601	1.2
367.13766	1.2
379.11533	0.5
397.13083	0.5
541.70929	0.4
608.04724	0.4
639.54633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.6
59.51190	0.4
65.03928	1.3
67.01844	0.7
67.05495	0.9
68.99774	0.5
69.03087	0.7
69.03426	10.3
69.88418	2.4
70.06583	0.6
71.01334	2.0
71.04973	1.4
77.03921	1.1
78.58746	0.4
79.05477	0.9
81.03426	1.0
81.07059	1.2
83.01308	0.5
83.04977	7.2
85.02900	4.0
91.05481	21.3
95.05003	0.5
95.08607	0.7
97.02865	0.9
99.04455	2.2
103.05447	1.3
105.03334	0.4
105.07008	0.6
107.04942	1.2
107.08572	0.5
109.02879	0.9
111.03737	0.5
111.04447	6.9
118.04130	0.6
119.04939	33.7
120.05255	0.7
121.02849	1.1
121.06537	1.0
127.03933	0.8
129.05511	1.4
131.04897	0.5
132.02071	0.9
133.02841	0.5
133.06479	1.9
135.04384	2.4
135.08015	0.9
145.02817	0.9
146.03600	0.5
147.04407	30.8
149.02307	1.2
153.01819	9.1
157.03947	2.9
161.06001	4.3
163.03920	0.5
164.04640	1.0
165.01836	2.0
167.07063	1.3
171.02849	3.3
175.03903	55.7
176.04311	2.0
177.01814	0.7
179.07021	2.8
183.02890	1.6
191.03432	1.1
191.07030	0.6
192.04198	2.2
195.02882	7.4
203.03545	0.5
207.06523	100.0
208.06894	2.4
217.05066	0.7
219.02892	2.2
225.07564	2.6
231.02849	0.7
233.07986	0.8
235.05978	0.7
241.08548	0.9
245.04503	2.6
261.03906	0.6
263.05450	6.5
271.06125	0.6
273.11334	0.9
275.09137	0.6
285.07669	1.0
287.09116	12.0
299.09058	1.7
301.66403	0.6
305.06647	0.8
311.09039	0.6
317.10095	0.8
329.10211	1.8
353.12357	31.5
354.12799	1.1
379.11685	0.9
395.11230	0.6
395.21497	0.6
397.12930	1.8
413.12109	0.6
431.13495	1.0
451.13712	0.5
455.12091	0.5
473.14301	0.4
480.28622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.4
58.09876	0.1
61.02891	0.3
65.03903	0.2
67.01865	0.5
68.99784	0.8
69.03086	0.2
69.03429	2.8
70.06565	0.2
71.01338	0.3
71.04985	0.4
71.53606	0.2
73.02907	0.3
74.83121	0.1
79.05488	0.3
81.03421	2.6
81.42414	0.2
83.04980	1.0
85.02901	2.9
87.00829	1.2
91.05477	2.8
93.07047	0.2
95.04952	0.5
97.02890	1.5
99.04460	1.1
103.05485	0.2
105.01870	0.6
105.03391	6.5
107.04945	0.2
109.02882	2.6
111.04446	1.0
117.01868	0.3
117.03377	0.2
119.04114	0.3
119.04939	4.7
119.05788	0.2
121.02862	1.7
123.04411	0.6
123.93312	0.1
127.03900	3.2
129.01816	0.3
129.05521	0.2
133.02921	0.3
135.04398	1.1
137.02309	0.7
145.02930	0.2
145.04955	0.9
145.06534	0.1
147.04407	4.4
149.02411	0.2
153.01811	4.1
157.04015	0.4
157.06548	0.2
159.02878	0.8
161.02376	0.4
165.01836	0.4
167.07010	1.5
171.02870	1.1
175.03912	7.8
179.03412	0.3
179.06923	0.2
183.02884	0.2
185.05945	0.2
191.06963	0.2
192.04111	0.3
207.06526	19.7
208.06837	0.3
213.05521	0.4
219.06552	0.3
231.06676	0.3
241.04884	0.8
245.04515	0.2
249.07628	2.4
258.05096	0.3
259.06070	0.2
267.08591	0.9
268.38467	0.2
269.04309	0.4
270.05069	0.2
271.06021	3.0
273.11246	0.4
287.05490	100.0
288.05850	3.2
289.10724	0.2
299.09067	0.3
311.05377	0.2
317.10260	0.6
325.26785	0.2
329.06473	0.9
351.10962	0.2
353.07907	0.3
353.12296	6.2
354.12555	0.2
395.07254	0.2
449.10812	0.6
467.00696	0.2
553.13208	0.7
668.14386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.4
61.02928	0.3
65.03933	0.3
67.01859	0.3
67.05516	0.1
68.99776	0.7
69.03429	3.1
69.96148	0.4
70.06591	0.1
70.86385	0.1
71.01336	0.2
71.04980	0.4
73.02904	0.4
74.68736	0.1
79.05479	0.4
81.03419	3.4
83.04977	1.0
85.02905	3.6
87.00836	1.3
89.03911	0.2
91.03974	0.1
91.05478	2.4
95.04987	0.6
97.02883	2.3
99.04446	1.0
105.01897	0.8
105.03389	8.9
105.07025	0.1
107.04922	0.2
107.63741	0.1
109.02141	0.2
109.02877	2.8
111.00805	0.3
111.04446	0.8
114.87998	0.1
117.01844	0.3
119.04942	3.9
119.43137	0.1
121.02851	2.4
123.04424	0.8
127.03917	3.9
129.01851	0.3
129.05498	0.1
132.02028	0.1
133.02837	0.3
135.04395	1.1
137.02321	0.9
145.04950	1.3
147.03154	0.1
147.04399	3.1
151.03894	0.1
153.01823	4.2
157.03940	0.3
157.06441	0.2
159.02910	1.2
161.02330	0.6
161.05998	0.2
165.01865	0.6
167.07005	1.0
171.02933	0.9
171.04297	0.2
174.16710	0.1
175.03909	6.9
177.05376	0.1
179.03357	0.2
179.06967	0.2
183.02872	0.3
185.05992	0.3
189.05533	0.1
191.07130	0.1
192.04123	0.1
197.06042	0.1
201.05591	0.2
207.06528	16.2
208.06844	0.3
213.05624	0.5
213.09254	0.1
219.06544	0.3
229.08545	0.1
231.04871	0.3
231.06552	0.3
235.06076	0.1
237.07697	0.1
241.04929	1.0
241.08658	0.2
245.04376	0.3
249.07596	3.3
258.05267	0.3
259.06018	0.2
267.08633	1.1
269.04407	0.3
270.05008	0.1
271.06009	1.4
273.11331	0.3
287.05487	100.0
288.05829	1.3
289.10617	0.1
291.12326	0.1
299.05518	0.1
299.09103	0.3
311.05481	0.2
317.10129	0.5
329.06583	0.7
342.92972	0.1
353.12305	4.9
391.07413	0.1
395.07407	0.1
397.08835	0.1
442.88046	0.1
449.10785	0.8
452.68323	0.1
517.09900	0.2
518.91742	0.1
535.10626	0.2
553.13379	0.8
604.89209	0.1
831.24902	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	800.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	1.7
65.03929	2.1
67.05499	8.5
69.07066	4.8
69.75204	2.0
69.75626	4.3
70.06571	1.0
77.03901	0.9
79.05479	2.9
81.07046	1.7
85.06541	5.8
91.05468	4.4
93.07033	2.6
95.04969	6.5
95.08611	2.5
100.11893	1.1
105.03390	100.0
105.07014	1.6
107.04996	1.1
107.08562	1.1
109.10152	2.6
119.04908	1.7
121.10126	2.4
123.04431	3.3
131.04903	6.1
136.91637	1.0
145.06500	1.2
147.04393	8.2
155.08557	1.4
159.04410	8.3
163.03917	5.2
171.04460	1.5
172.95160	1.4
173.05942	1.8
175.03905	87.6
177.05487	3.0
183.08055	1.1
185.09688	1.9
187.03911	35.3
187.07576	1.1
189.05505	5.6
189.09111	30.5
195.08081	1.2
197.09486	1.2
199.03903	8.4
199.07497	1.8
201.05493	3.6
203.03488	5.5
203.06949	3.0
207.10167	8.3
211.07608	1.4
213.05446	4.5
213.09045	2.2
215.06999	1.8
217.08563	2.6
223.07597	2.1
226.06235	13.3
227.06984	2.0
228.07811	3.4
229.08583	23.0
231.10121	2.4
239.07103	1.5
241.08572	37.0
242.08972	1.5
243.10185	20.4
245.08037	2.4
247.09669	21.3
253.08604	5.8
255.10165	12.7
257.07993	1.1
259.09695	2.4
269.11639	1.8
295.13287	22.3
313.14334	66.1
314.14651	1.5
331.11386	1.4
331.15363	11.4
336.47021	1.2
425.86331	1.0
435.18079	22.5
460.09018	1.1
574.43030	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	800.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21133	0.4
57.07067	0.6
59.04996	0.7
65.03934	0.9
65.70795	0.4
67.05510	3.7
69.07069	2.1
70.06554	0.4
71.04993	0.8
71.52037	0.6
71.52413	0.4
77.03927	0.8
79.05486	0.7
79.33527	0.4
81.03438	0.5
81.07061	0.6
85.06541	2.5
91.05474	1.3
95.04381	0.5
95.04972	6.2
95.08618	1.0
105.03391	100.0
106.03728	1.4
107.08617	0.5
109.06532	0.5
109.10167	0.9
115.05438	0.4
119.04953	0.8
121.10140	1.1
123.04416	0.7
124.40189	0.3
131.04962	2.0
133.10150	0.4
147.04401	2.9
155.08495	0.4
159.04379	3.2
163.03923	1.4
166.20589	0.4
171.04486	1.0
175.03906	29.0
177.05487	2.6
185.06027	0.4
187.03903	13.4
187.07500	1.0
189.05479	3.5
189.09119	7.2
199.03873	4.2
199.07539	0.8
201.05482	2.2
201.09148	0.7
203.03383	2.1
203.07065	1.3
207.10213	0.8
211.07628	0.9
213.05481	3.0
213.09106	0.7
214.06285	0.4
215.07071	1.4
217.08646	1.3
225.09074	0.7
226.06226	3.4
227.07022	1.7
228.07806	1.0
229.08612	10.2
231.06567	0.5
231.10156	1.8
239.07088	0.8
241.08594	13.5
243.10162	9.2
245.07979	2.7
247.09654	7.8
253.08562	1.8
255.10274	2.9
257.08173	1.2
259.09616	3.2
271.09714	0.6
273.11237	0.5
295.13257	7.0
313.14325	28.3
314.14810	0.8
331.15250	4.1
351.12189	0.7
365.13766	0.5
435.18024	24.7
436.18686	0.7
564.75037	0.5
574.46875	0.5
628.91180	0.5
800.52948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
61.32501	0.1
65.03925	0.8
66.40257	0.2
67.01859	0.5
67.05505	0.3
68.99797	0.5
69.03411	0.6
70.06567	0.3
70.17041	0.3
70.17440	0.4
71.01321	0.2
71.04992	5.8
72.05331	0.2
73.02899	0.2
73.31157	0.1
75.04478	0.4
77.03925	0.4
79.05486	0.4
81.03416	1.1
81.07040	0.4
83.04973	0.8
84.64701	0.1
85.02904	7.1
87.04494	0.3
89.03910	0.4
91.05481	10.4
93.07050	0.4
95.04951	0.4
95.08602	0.3
97.02923	0.3
97.70309	0.1
98.20857	0.2
99.04445	0.3
103.05470	0.4
105.03372	0.5
105.07033	0.3
107.04957	0.3
107.08556	0.2
109.02884	0.7
109.06486	0.3
109.10128	0.2
111.04432	0.6
116.74694	0.1
118.04133	0.2
119.04938	15.5
119.08485	0.2
119.49771	0.1
120.05309	0.3
121.02869	0.4
127.03902	0.4
129.01869	0.2
129.03351	0.2
129.05469	1.4
131.04895	0.3
132.02043	0.6
133.02856	0.4
133.06500	2.0
133.27332	0.2
135.04396	1.6
136.05212	0.3
137.05904	0.2
145.02826	0.5
145.06544	0.2
147.04407	13.9
148.04927	0.2
149.02327	0.5
149.06004	0.3
151.03911	0.2
153.01825	4.7
157.04005	1.1
158.36130	0.1
159.04419	1.1
161.06021	0.2
162.03207	0.2
162.06743	0.3
163.03888	0.5
164.04706	0.4
167.07008	0.3
171.02901	1.8
175.03903	25.9
176.04341	0.5
177.05469	0.7
178.06189	0.5
179.06999	1.3
181.08612	0.3
185.06017	0.2
189.05447	0.2
189.53046	0.1
190.06256	1.4
191.03418	0.5
191.06978	0.3
192.04158	0.2
193.08582	1.0
203.87221	0.2
206.05721	0.4
207.06520	61.2
208.06844	0.9
217.08611	0.3
221.08076	6.9
225.05431	0.3
229.09015	0.2
239.06963	0.5
242.05736	13.1
243.06256	0.6
255.13734	0.4
270.05219	11.0
271.06006	21.6
272.06335	0.5
285.07556	100.0
286.07935	2.3
297.07605	0.3
317.10046	0.2
327.08627	1.0
331.11676	0.2
351.10904	1.7
353.12051	0.3
367.13879	1.2
369.11874	0.6
373.22018	0.2
433.11447	0.3
515.17615	0.2
653.18475	0.4
723.16785	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.2
66.99827	0.1
67.01866	0.2
68.99802	0.3
69.03423	1.2
70.34242	0.1
70.37669	0.1
70.77681	0.2
70.78086	0.2
71.01340	0.4
71.04993	0.1
76.74142	0.1
77.71732	0.1
83.04970	1.4
83.78709	0.1
85.02888	0.4
91.05477	3.7
92.32059	0.1
95.04935	0.1
97.02879	0.1
99.04433	0.5
103.05473	0.2
105.03365	0.2
109.06524	0.1
111.04440	1.3
113.42457	0.1
118.04147	0.2
119.04942	6.0
121.02950	0.2
123.04443	0.1
129.03331	0.1
129.05501	0.2
132.02078	0.2
133.06488	1.5
135.04416	0.9
136.05199	0.2
138.97778	0.1
145.02840	0.2
145.36916	0.1
147.04405	5.4
149.02315	0.2
153.01817	2.6
157.03947	0.4
159.04398	1.1
164.04802	0.1
167.07027	1.3
169.04898	0.1
171.02890	0.9
175.03905	10.6
176.04243	0.2
177.05461	0.4
179.07022	0.5
191.07050	0.2
192.04153	0.2
207.06523	23.8
208.06941	0.7
213.09102	0.2
215.07150	0.2
217.08531	0.2
218.05843	0.1
235.06125	0.2
237.07712	0.1
239.07152	0.5
241.04910	0.1
241.08574	0.2
242.05727	14.1
243.06342	0.7
256.81882	0.1
257.08157	0.3
270.05222	11.8
271.05652	0.5
273.11188	0.5
275.09146	0.2
285.07556	100.0
286.04749	0.2
286.07907	3.6
289.10617	0.2
291.12384	0.2
293.10184	0.2
297.07620	0.1
299.09137	0.4
317.10251	0.6
327.08615	0.3
353.12305	6.9
354.12576	0.3
371.53125	0.1
447.12805	1.3
829.27490	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	799.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.1
60.73502	0.1
65.03928	0.2
66.14987	0.1
67.01846	0.2
67.05496	0.1
68.90079	0.1
68.99803	0.1
69.03428	0.7
69.07057	0.1
69.45658	0.5
70.06590	0.3
71.01353	0.1
71.04997	0.1
79.05451	0.1
81.03399	0.2
83.04974	0.5
85.02902	0.4
89.03918	0.1
91.05478	2.7
92.11572	0.1
93.07010	0.1
95.04974	0.1
95.08605	0.1
97.02885	0.2
98.65147	0.1
99.04454	0.2
103.05441	0.2
105.03380	0.1
105.07008	0.1
109.06461	0.1
111.04442	0.7
118.04150	0.1
119.04935	4.0
120.05260	0.1
120.08101	0.1
125.05933	0.1
127.03937	0.1
129.03355	0.1
129.05446	0.2
131.04939	0.1
132.02039	0.1
133.06488	1.2
133.10149	0.1
135.04404	0.6
145.02805	0.1
147.04399	3.6
149.02356	0.2
153.01823	1.5
154.02119	0.1
157.03931	0.4
159.04416	0.5
164.04695	0.1
167.07043	0.2
169.04742	0.1
171.02907	0.7
175.03900	7.0
176.04329	0.1
177.05482	0.2
179.07013	0.4
181.04808	0.1
183.07985	0.1
192.04182	0.2
207.06519	14.8
208.06860	0.2
217.08629	0.1
219.06592	0.1
225.07581	0.2
235.05905	0.1
239.07054	0.2
241.05026	0.1
242.05717	12.9
243.06265	0.5
257.08084	0.1
261.07620	0.1
270.05219	11.4
271.05750	0.3
273.11151	0.1
284.06686	0.1
285.07550	100.0
286.04688	0.1
286.07895	2.7
297.07507	0.2
299.09064	0.1
309.07706	0.1
317.10165	0.1
327.08575	0.2
329.22025	0.1
353.12302	3.2
395.11115	0.1
447.12881	1.4
547.16553	0.1
559.88611	0.1
560.97870	0.1
593.18323	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.5
57.71878	1.2
61.02928	8.1
67.05496	6.5
69.03422	4.0
69.07069	1.8
71.07172	1.5
71.07512	2.3
73.02913	4.8
79.05489	5.7
81.07068	5.9
85.02919	6.8
91.03961	4.6
91.05495	2.0
92.84779	1.1
93.07053	4.5
95.08597	5.2
97.02875	5.3
99.04469	1.8
101.02383	2.7
103.03951	1.3
105.07027	2.0
107.08598	2.5
109.10165	1.7
110.38425	1.1
119.08639	1.3
121.10152	2.3
127.03929	1.3
131.08531	1.3
216.73778	1.1
243.08452	1.7
245.52303	1.4
335.25931	1.2
395.98309	1.2
519.29333	16.9
534.96069	1.1
797.51721	100.0
798.51691	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	794.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
67.08504	0.4
68.05032	1.1
69.07066	1.1
69.55919	2.2
70.06592	100.0
71.05000	0.7
71.06922	0.9
72.08157	0.9
79.05478	0.5
81.03428	0.6
81.07043	0.4
82.06582	0.8
84.08144	1.3
85.02908	0.8
85.07686	0.5
86.09705	7.9
91.05500	0.5
94.06513	0.4
95.06101	1.7
95.08637	0.6
96.08128	4.6
97.02911	0.6
97.07658	2.1
98.06052	6.8
99.09234	0.4
108.08172	0.4
109.07645	0.4
112.07587	0.6
112.07927	0.6
112.08727	11.2
112.09482	0.6
112.11230	0.6
113.07129	9.3
114.05560	0.5
114.10295	1.4
115.08696	7.9
116.07091	0.7
120.08137	0.7
121.02900	0.5
121.10170	0.4
124.07659	0.6
124.08755	1.0
125.07116	1.2
125.10786	0.5
126.05529	4.4
127.03955	0.5
127.08690	1.9
128.07124	0.9
130.06516	3.3
132.04492	0.6
137.07104	0.9
138.12770	3.0
140.07254	0.5
140.08186	2.4
141.10233	5.3
141.76617	0.4
143.08266	0.4
143.11774	3.1
146.06024	0.7
147.04430	1.1
151.03926	0.4
151.08678	0.7
151.12325	1.5
152.08191	0.5
155.08195	1.1
157.07605	5.4
157.10895	1.0
158.05991	2.8
159.09167	0.5
164.08275	0.4
164.11880	1.0
165.10242	0.6
166.09825	0.9
167.11803	2.6
169.09726	3.1
169.10992	0.4
171.11360	1.6
175.03888	0.6
175.08669	6.1
176.11877	0.5
177.05557	0.4
177.10249	0.9
178.05028	1.2
179.11853	0.8
185.07088	2.1
185.10422	0.8
187.08669	6.8
191.12997	0.5
192.11325	5.2
193.14560	0.6
194.09251	0.4
194.12918	4.3
195.11244	4.1
201.10263	0.4
206.04573	1.6
207.06592	1.0
208.27054	0.4
209.14119	0.9
209.16486	0.7
212.13930	5.8
214.09769	5.0
220.69511	0.4
224.13916	0.4
232.10941	1.7
237.10135	0.3
237.11047	0.7
237.13481	8.1
237.16019	0.6
242.09291	5.9
249.13712	0.4
254.13185	0.6
254.16228	2.1
255.11403	0.5
255.13866	0.6
256.61505	0.4
260.10330	2.3
265.15527	0.6
272.13867	0.5
282.12390	1.4
287.05698	0.7
297.13538	0.5
300.13589	0.6
306.19196	6.1
309.19296	1.7
314.16147	4.7
327.14749	0.6
327.18335	1.8
332.20956	0.4
334.18787	4.4
342.15756	1.2
345.19318	0.5
348.09402	0.4
351.21552	1.5
355.17831	1.2
357.15561	0.9
371.18280	0.8
373.18909	1.4
399.17841	1.2
426.21506	0.5
439.20724	1.8
484.26785	1.6
496.23141	1.2
524.23633	0.4
536.26447	1.1
581.32477	0.6
582.32172	0.6
593.28607	1.2
678.37476	0.6
695.39783	0.8
749.41144	1.0
759.39771	0.7
766.44385	0.9
776.42712	0.7
777.40472	1.7
794.43060	82.6
795.43365	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	792.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	16.5
55.74778	1.5
57.03434	12.1
57.07082	2.5
61.02899	2.3
65.03922	2.4
67.05505	57.7
69.07067	18.0
70.77260	3.7
73.02900	1.7
79.05494	37.9
81.06590	2.9
81.07060	56.1
83.08613	7.6
85.02914	3.0
91.05476	20.8
93.07040	45.2
95.04956	3.5
95.08609	44.6
97.06514	2.8
97.10164	4.9
99.08085	1.9
105.07037	16.2
107.08601	24.9
109.06546	1.5
109.10155	22.3
117.07022	5.8
119.08585	16.5
121.10138	24.9
123.11718	8.4
123.48335	1.4
128.06329	1.5
131.08586	9.8
133.10129	14.0
134.81107	1.5
135.11693	15.3
137.09601	1.8
137.13225	1.8
143.08551	2.7
145.10141	9.2
147.11702	11.2
149.13268	8.0
159.11662	9.2
161.13290	9.5
163.14832	6.3
171.11708	2.2
173.13287	8.6
175.14810	4.3
185.13284	1.9
187.14827	4.2
199.14862	2.1
201.39464	1.3
241.19511	2.9
243.21072	5.5
248.01282	1.5
259.20599	8.7
261.22162	16.7
317.24835	3.4
333.24252	5.2
335.25800	100.0
336.26138	2.6
337.27359	8.5
355.30154	1.6
521.43182	2.1
539.44977	1.8
595.47137	14.7
596.47754	1.7
613.48419	9.9
659.49774	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	0.6
68.05034	1.6
69.03409	0.4
69.07067	1.1
69.36851	1.8
69.37276	1.5
70.06588	100.0
71.04998	0.6
71.06908	0.6
72.08163	0.5
74.06075	0.6
75.05625	0.4
81.03397	0.6
81.07047	0.5
82.06583	0.6
84.08131	1.5
85.02901	0.8
85.06522	0.4
85.07668	0.7
86.09705	7.5
86.72253	0.4
91.05486	1.0
94.06554	0.5
95.04980	0.4
95.06097	1.7
95.08620	0.8
96.08136	3.8
97.02876	0.5
97.07680	1.3
98.06052	5.7
98.09705	0.5
98.20760	0.8
99.09232	0.9
100.07602	0.5
102.15443	0.4
105.07008	0.4
108.08115	0.5
109.02895	1.0
110.07175	0.4
112.03976	0.4
112.08722	11.9
112.11246	0.7
113.07121	9.6
114.10287	1.2
115.08691	8.5
116.07088	0.6
119.04964	0.7
124.08761	1.1
125.06071	0.4
125.07143	1.4
126.05490	4.2
127.03929	0.7
127.08693	1.7
128.07074	0.5
128.35231	0.4
130.06531	3.0
132.04434	1.1
136.07608	0.7
136.08589	0.4
137.07051	0.6
138.12799	3.3
138.64569	0.4
140.08194	2.0
141.10219	5.3
143.11807	3.7
145.07625	0.6
146.06007	2.6
147.04414	1.7
150.07813	0.9
151.08662	0.6
151.12279	1.9
152.08208	0.6
153.10229	0.4
155.08189	0.8
157.07608	3.8
157.10927	0.7
158.05997	4.3
159.09241	0.4
164.08217	0.4
164.11858	1.2
166.09811	1.4
166.13443	0.4
166.63309	0.4
167.07072	0.6
167.11771	2.5
169.07581	0.5
169.09732	2.2
169.11002	0.4
171.11234	1.9
175.03996	0.5
175.08675	7.5
176.11864	0.8
177.10278	1.6
177.27873	0.5
179.11774	0.6
185.07133	0.8
185.10344	1.1
187.08655	8.4
191.12982	0.6
192.11296	4.9
193.14525	0.9
194.12894	4.0
195.11284	3.8
198.32983	0.4
204.06650	0.6
206.04510	0.8
207.06427	0.5
208.14561	0.4
209.14063	1.2
209.16484	0.5
212.10632	0.5
212.13925	6.7
213.09245	0.4
214.09718	3.3
224.14020	0.5
232.10829	1.9
237.13452	7.4
242.09235	3.7
242.15115	0.4
249.13689	0.6
254.13237	0.6
254.16219	2.2
255.13942	0.7
260.10355	3.6
263.15063	0.4
264.15976	1.6
265.15530	1.1
270.08981	0.6
272.14035	0.6
282.12451	1.4
287.05426	0.8
306.19238	4.8
309.19281	1.5
314.16052	4.3
315.16180	0.6
322.15762	0.4
323.21689	0.5
326.16315	0.4
327.18158	1.5
334.18674	3.9
340.13156	0.5
342.15634	1.2
345.19324	0.6
351.21512	1.6
355.17737	0.6
357.15469	0.6
371.18481	0.8
373.18860	1.0
382.17798	1.2
383.18314	0.5
391.20984	0.5
399.17618	0.9
405.22488	0.6
439.20840	1.1
484.26813	1.6
496.22998	1.1
503.42953	0.5
508.26917	0.8
511.27499	0.5
536.26630	0.6
538.67731	0.5
555.30011	0.5
581.31897	0.8
593.28149	0.7
598.35101	0.6
678.37537	0.9
749.40955	1.1
752.40918	0.5
766.43298	1.1
777.40332	1.9
794.43036	78.9
795.43433	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	788.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	9.6
55.05511	3.2
57.03439	4.0
61.02924	4.2
67.05496	6.0
68.99812	4.1
69.03432	23.9
69.07069	9.6
70.06591	3.7
71.01355	0.8
71.05003	5.5
71.39449	0.8
71.51946	0.9
73.02904	5.2
75.70944	0.7
77.03936	1.3
79.05489	4.9
81.03423	28.9
81.07057	9.2
83.04960	2.0
83.08620	2.8
84.04536	1.0
84.08149	1.2
85.02908	55.7
86.09703	1.6
87.00828	24.9
87.04446	1.0
87.59766	0.7
91.03943	2.1
91.05489	5.7
92.71657	0.7
93.07052	3.9
95.04975	5.0
95.08601	7.8
97.02894	31.0
97.06528	1.1
97.10202	0.8
99.04456	11.1
103.03979	0.8
103.05414	1.0
105.01868	23.2
105.03387	2.4
105.07010	4.6
105.92991	0.7
107.04940	5.8
107.08598	3.3
108.04478	2.2
108.91422	0.7
109.02887	37.2
109.06537	1.9
109.10164	7.0
111.04520	1.2
111.11765	0.9
115.03912	1.3
116.07053	1.8
117.01859	4.3
117.07025	1.8
119.04934	2.5
119.08561	3.7
121.02886	1.5
121.06492	3.6
121.10153	2.9
123.04425	1.2
123.08109	1.1
123.11745	5.0
125.09644	1.1
126.05547	1.1
127.03922	53.7
128.06209	0.8
129.01846	3.4
131.04944	1.3
131.08582	2.5
133.02855	20.8
133.06519	4.1
133.10130	2.8
135.04436	11.6
135.08049	1.8
135.11678	0.8
137.06009	1.4
139.79079	0.7
143.08569	1.2
145.02858	1.0
145.04974	17.5
145.06490	4.6
145.10158	2.9
147.02917	3.5
147.04385	6.5
147.08055	3.6
147.11719	1.8
149.05942	1.7
149.09683	0.9
151.03908	48.6
152.04338	1.3
155.08501	0.9
157.10133	0.9
158.07260	1.4
159.02904	13.0
159.04259	1.1
159.08086	6.2
161.06015	3.5
161.09637	3.3
161.13216	1.3
163.03902	0.9
165.05498	11.3
165.09152	1.4
167.03401	1.1
167.07036	2.2
171.02864	1.0
171.08112	1.3
173.06013	1.6
173.09688	4.2
175.03931	2.6
175.07556	5.0
176.04576	0.9
177.05490	6.4
179.07100	2.5
181.04996	0.8
183.02948	0.7
183.08066	1.1
187.07582	2.9
187.11240	2.5
189.03952	1.6
189.05511	1.7
189.09116	16.8
191.07147	1.0
193.04926	1.2
193.08676	4.2
193.10129	0.8
193.12204	0.9
197.09721	1.2
199.10982	1.0
201.09093	12.4
206.04510	0.9
207.06490	3.6
208.06932	1.5
213.03961	7.9
215.14334	3.5
217.05035	0.8
219.10184	1.9
222.11259	3.8
230.06851	0.9
231.04980	10.9
239.14314	1.4
248.07739	1.4
249.05952	1.7
252.28558	0.8
255.13753	1.6
257.15375	100.0
258.15747	2.9
267.16010	1.3
271.06009	1.7
272.06348	0.9
273.06042	2.2
273.14786	1.2
275.13480	2.0
275.16415	29.7
276.16705	1.2
285.07697	1.0
286.07858	1.2
327.16083	1.0
339.07065	0.9
341.17563	1.4
347.16302	1.1
365.13608	1.0
365.17371	4.6
383.18619	3.7
401.19604	2.3
443.20993	0.8
469.18436	3.4
479.23026	0.9
487.19778	8.0
505.20734	18.0
523.21912	6.8
586.84424	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
55.05507	3.1
57.03419	0.8
65.03941	1.2
67.01846	1.0
67.05489	0.7
68.99773	0.9
69.03427	10.0
69.07058	0.4
70.06573	1.7
71.01331	1.3
71.04975	1.5
72.08162	0.7
77.03929	0.8
77.51699	0.4
79.05465	1.0
81.03416	2.0
81.07034	1.1
83.04974	10.8
84.08146	0.6
85.02900	3.6
86.09697	0.6
89.03904	0.8
91.05476	18.0
92.05794	0.5
93.07047	0.4
95.04955	1.4
95.08599	0.8
97.02882	1.2
97.06548	0.4
97.29757	0.4
99.04453	3.3
100.17618	0.4
103.05453	0.9
105.03385	2.3
105.07031	1.7
107.04948	1.0
107.08554	0.6
109.02871	1.4
109.06496	0.7
109.10145	0.5
111.04440	7.2
118.04129	0.6
119.04935	28.8
121.02847	1.3
121.06524	0.9
123.04450	0.6
125.05994	0.6
127.03921	1.1
129.03322	0.7
129.05466	1.2
131.04900	1.0
132.02069	1.1
133.02849	0.6
133.06480	0.5
135.04454	1.0
136.05110	0.4
137.05946	0.5
141.05591	0.4
145.02797	0.8
145.10173	0.5
146.03578	0.6
147.04405	26.9
149.02341	1.1
151.03841	0.6
153.01823	9.1
153.05423	0.5
157.03981	2.8
159.04330	0.5
159.07942	0.4
161.06009	0.9
163.03873	0.8
164.04686	0.6
165.01866	1.2
167.07022	9.1
167.08414	0.6
169.04932	0.5
171.02885	6.9
175.03900	52.9
176.04333	1.3
176.07094	0.5
177.01834	0.8
177.05469	1.2
179.03419	0.5
179.06990	2.7
183.02919	1.3
184.60269	0.4
187.07600	0.6
189.05327	0.4
191.03455	0.7
191.06979	1.0
192.04175	1.1
193.08623	0.7
195.02905	2.6
203.03314	0.5
205.01291	0.5
205.04900	0.5
207.06517	100.0
208.06847	1.9
213.09120	1.1
219.02910	0.8
219.06543	0.8
225.07300	0.6
225.33925	0.5
229.08551	0.8
233.08099	0.9
235.05960	1.0
237.07623	0.8
241.08655	1.2
245.04410	1.3
247.09637	0.7
251.05458	0.7
257.07993	0.6
261.03894	0.5
271.05988	4.9
271.09027	0.7
272.06400	1.3
273.07520	8.0
273.11197	3.0
275.09253	1.0
285.07568	0.9
287.05444	1.1
289.10733	0.7
291.12317	0.6
293.10284	0.5
299.09021	2.2
303.04788	0.6
315.08398	0.6
317.06836	0.7
317.10184	3.9
342.89233	0.4
351.10559	0.7
353.12283	37.7
354.12579	1.0
365.10199	0.7
369.11627	0.8
385.98917	0.4
437.12573	0.6
513.55396	0.4
767.45544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.05511	1.7
57.03438	1.0
65.03918	1.4
67.01863	0.6
67.05496	0.7
68.94227	0.3
68.99780	0.5
69.03430	10.9
69.07062	0.5
70.06618	0.4
70.51925	0.8
71.01363	1.9
71.05007	1.6
72.08129	0.3
75.57586	0.3
77.03934	0.8
79.05493	0.8
81.03423	0.9
81.07053	0.8
83.04979	5.8
85.02904	4.3
89.03916	0.7
91.05479	23.6
92.05796	0.4
93.07043	0.6
95.04958	1.0
95.08596	0.7
97.02879	0.8
98.20813	0.3
99.04456	1.8
103.05473	1.0
105.03406	1.3
105.07036	0.9
107.04974	1.6
107.08575	0.6
109.02875	0.9
109.06559	0.3
109.10165	0.4
111.04445	6.5
113.06123	0.3
115.05486	0.7
116.56976	0.3
117.07021	0.3
118.04150	0.8
119.04940	36.7
119.08620	0.4
120.05294	0.7
121.02871	0.8
121.06522	0.5
121.10133	0.4
123.04423	0.5
127.03918	0.8
128.07112	0.4
129.03375	0.6
129.05449	1.7
129.06947	0.4
131.04897	0.9
131.08521	0.5
132.02083	1.1
133.02853	1.4
133.06509	0.8
135.04391	2.8
136.05144	0.7
141.71019	0.3
145.02852	1.0
145.06470	0.3
147.04405	33.5
148.04715	0.6
149.02353	1.4
149.06003	0.5
149.26830	0.3
151.03944	0.5
153.01820	6.1
153.03006	0.5
157.03973	3.6
159.08006	0.4
159.11734	0.3
161.06041	0.7
163.03900	0.7
164.04654	1.8
165.01810	1.9
167.07028	2.2
171.02950	2.1
171.04184	0.4
171.11659	0.4
173.06053	0.5
175.03905	53.4
176.04314	1.5
177.01842	0.3
177.05472	0.7
178.04968	1.5
179.05443	0.6
179.07005	2.6
181.04968	0.5
183.02927	1.4
189.01930	0.4
189.09122	0.6
191.03412	0.9
191.06976	0.5
191.10596	0.3
192.04144	2.3
193.04686	0.3
195.02892	6.4
201.09120	0.5
203.03357	0.7
204.10222	0.4
206.04436	2.7
207.06522	100.0
208.06842	2.8
217.04951	0.7
219.02946	1.9
219.06447	0.3
221.04527	0.3
221.08003	0.5
225.07576	3.2
231.02815	0.5
231.06459	0.4
233.04408	0.4
233.08099	1.1
235.06166	0.4
241.08592	0.7
245.04446	2.3
251.05624	0.4
257.15311	0.9
258.15680	0.9
259.05826	0.3
261.04025	0.8
261.07196	0.3
263.05499	4.0
271.05997	2.3
271.09100	0.4
272.06244	0.5
273.07578	9.2
273.10916	0.8
275.09198	0.6
285.07715	2.5
287.05402	1.1
293.09973	0.4
297.07568	0.7
299.09271	0.5
305.06445	0.4
309.31378	0.3
315.08704	2.4
317.06671	0.4
317.10150	1.2
335.11200	0.6
339.08484	1.3
351.08197	0.6
353.12292	27.6
354.12369	1.0
365.10022	1.3
369.10501	0.4
381.09537	0.9
383.11255	2.0
399.10547	0.7
407.10129	0.6
417.12057	0.6
429.11972	0.3
437.12140	0.4
542.46558	0.3
607.32782	0.4
625.25269	0.4
641.32489	0.4
663.35187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.1
55.06469	0.6
55.47446	0.6
65.03929	1.6
67.01854	1.1
69.03431	7.7
71.01353	1.7
71.04966	1.4
71.18656	1.1
81.03414	1.5
83.04975	12.6
85.02908	3.0
89.03872	0.8
91.05481	19.3
92.05821	0.9
95.04950	1.0
97.02847	0.8
97.33639	0.6
99.04441	2.9
105.03328	0.6
105.07033	0.7
107.04942	1.4
111.04446	7.9
115.24239	0.6
119.04940	35.8
120.05293	0.9
121.02878	0.8
121.06484	0.6
123.04417	1.0
127.03914	0.8
129.05458	2.1
131.04912	1.6
132.02063	0.9
133.06444	0.7
135.04398	1.1
145.02930	0.6
146.03581	0.7
147.03239	1.6
147.04405	29.3
149.02257	0.8
153.01834	12.0
153.04103	0.6
153.07144	0.6
155.12711	0.7
157.03960	2.4
160.01558	0.7
164.04701	1.0
167.07060	10.2
169.04974	0.9
171.02910	6.0
174.03088	0.9
175.03909	50.9
176.04314	1.7
177.01765	0.7
179.06961	1.3
187.07579	0.9
191.06924	1.0
192.04202	1.6
195.02899	2.2
205.04868	1.1
207.06523	100.0
208.06798	4.3
213.09093	1.0
219.02931	0.7
235.06047	1.4
237.07584	1.0
241.08446	1.2
263.05249	0.9
271.06012	11.4
272.06348	8.5
273.07318	9.3
273.11230	2.0
285.07611	0.9
299.09079	2.8
317.10236	3.5
335.11346	1.2
353.12299	36.8
354.12695	2.2
468.71637	0.6
469.97571	0.6
564.37225	0.6
590.13696	0.8
600.83746	0.7
609.34662	0.7
648.27405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2285
Annotation	Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01874	0.3
55.05506	0.2
56.25801	0.1
57.03436	1.8
58.58580	0.1
59.04984	0.2
61.02919	0.5
69.03433	1.5
69.67250	0.7
70.06590	0.4
71.01364	0.1
71.04994	9.8
73.02922	0.3
75.04482	0.6
77.46981	0.1
81.03431	0.6
83.04976	0.7
84.04482	0.1
85.02906	13.2
86.03259	0.1
86.09702	0.2
87.04472	0.3
91.03961	0.2
92.02629	0.4
93.03419	0.4
97.02893	1.5
98.21497	0.2
99.04446	0.3
99.22006	0.1
103.03946	0.2
105.07048	0.1
109.02884	0.5
111.00809	0.1
111.04449	0.3
121.02863	0.6
126.03180	0.2
127.03913	1.1
129.05482	2.6
137.02335	0.1
137.05995	0.1
137.19791	0.1
139.03918	0.7
145.04938	0.6
147.04439	0.2
147.06537	0.8
151.03923	0.8
153.01823	3.9
154.02188	0.1
163.03886	0.3
165.01834	0.4
175.03871	0.2
177.05466	0.4
201.05458	0.2
203.03432	0.2
207.06540	0.3
217.05055	0.3
218.05757	0.3
228.04227	0.5
229.04935	1.7
229.07039	0.1
231.02890	0.2
233.04433	0.2
243.06358	0.1
245.04411	0.5
246.05241	1.0
257.04462	2.1
260.03217	0.2
261.07639	0.4
271.06161	0.2
273.03928	0.9
274.04745	3.3
284.03238	0.4
285.03940	3.5
286.04443	0.2
287.02026	0.1
288.06131	0.2
290.29913	0.1
302.04205	13.2
303.04721	0.6
317.06552	100.0
318.06900	3.7
329.06705	0.2
330.00101	0.1
359.07739	0.5
383.07364	0.2
479.11853	24.6
480.12216	0.9
641.16632	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
55.05506	0.2
56.25801	0.1
57.03436	1.8
58.58580	0.1
59.04984	0.2
61.02919	0.5
69.03433	1.5
69.67250	0.7
70.06590	0.4
71.01364	0.1
71.04994	9.8
73.02922	0.3
75.04482	0.6
77.46981	0.1
81.03431	0.6
83.04976	0.7
84.04482	0.1
85.02906	13.2
86.03259	0.1
86.09702	0.2
87.04472	0.3
91.03961	0.2
92.02629	0.4
93.03419	0.4
97.02893	1.5
98.21497	0.2
99.04446	0.3
99.22006	0.1
103.03946	0.2
105.07048	0.1
109.02884	0.5
111.00809	0.1
111.04449	0.3
121.02863	0.6
126.03180	0.2
127.03913	1.1
129.05482	2.6
137.02335	0.1
137.05995	0.1
137.19791	0.1
139.03918	0.7
145.04938	0.6
147.04439	0.2
147.06537	0.8
151.03923	0.8
153.01823	3.9
154.02188	0.1
163.03886	0.3
165.01834	0.4
175.03871	0.2
177.05466	0.4
201.05458	0.2
203.03432	0.2
207.06540	0.3
217.05055	0.3
218.05757	0.3
228.04227	0.5
229.04935	1.7
229.07039	0.1
231.02890	0.2
233.04433	0.2
243.06358	0.1
245.04411	0.5
246.05241	1.0
257.04462	2.1
260.03217	0.2
261.07639	0.4
271.06161	0.2
273.03928	0.9
274.04745	3.3
284.03238	0.4
285.03940	3.5
286.04443	0.2
287.02026	0.1
288.06131	0.2
290.29913	0.1
302.04205	13.2
303.04721	0.6
317.06552	100.0
318.06900	3.7
329.06705	0.2
330.00101	0.1
359.07739	0.5
383.07364	0.2
479.11853	24.6
480.12216	0.9
641.16632	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2083
Annotation	Kaempferol 3-(6''-(E)-feruloylglucosyl)-(1->2)-galactoside
Peak:m/z	Relative Intensity
55.01868	0.3
55.05494	0.2
56.05017	0.1
57.03432	0.6
60.04507	0.1
61.02933	0.6
63.02369	0.3
65.03934	0.5
67.05501	0.2
67.84954	0.1
68.99796	0.4
69.03429	2.6
69.07047	0.2
69.72592	0.6
70.06586	0.8
71.01345	0.2
71.04996	0.5
73.02898	0.3
78.04726	0.3
79.05485	0.4
81.03419	4.5
81.05750	0.1
81.07048	0.5
83.04974	0.3
84.04491	0.2
84.08136	0.3
84.25552	0.1
85.02899	4.2
86.09683	0.2
87.04456	0.2
89.03912	4.5
91.05482	2.8
93.07030	0.6
95.04950	0.4
95.06124	0.2
95.08594	0.3
97.02300	0.1
97.02894	1.9
97.06522	0.1
99.04447	0.6
103.05468	0.4
105.03395	0.5
105.07014	0.5
106.04173	0.4
107.04950	0.6
107.08591	0.2
109.02877	2.3
109.06526	0.2
109.10170	0.2
110.07150	0.1
111.00804	0.4
111.04440	0.3
111.84347	0.1
116.07054	0.2
117.03378	13.4
118.03658	0.1
119.04940	4.5
119.08588	0.2
120.08056	0.2
121.02869	5.0
121.06510	0.3
121.10081	0.1
123.04446	0.2
123.08015	0.1
123.11700	0.1
124.05221	0.1
127.03912	2.3
128.07074	0.2
129.04410	0.1
129.10211	0.2
131.04973	0.2
131.08591	0.2
133.02834	0.8
133.06458	0.2
133.10143	0.1
134.03651	0.8
135.04411	1.4
135.11684	0.2
137.02365	0.8
137.05960	0.2
140.10672	0.2
141.07050	0.1
145.02841	39.5
145.10130	0.2
146.03180	0.7
147.04404	9.6
149.05981	5.3
151.03889	0.4
153.01831	2.3
157.03981	0.2
157.06470	0.2
158.06044	0.3
159.11732	0.1
161.02319	0.1
161.05991	0.4
162.03154	0.3
162.05429	0.2
163.03947	0.6
163.11086	0.2
164.04631	0.1
165.01857	1.0
165.05501	0.3
167.03413	0.1
167.07013	0.5
171.02919	0.4
171.04451	0.3
173.05952	0.2
175.02373	0.1
175.03906	4.6
177.05466	100.0
178.05829	1.2
179.07005	0.4
179.08389	0.1
183.02943	0.6
185.05994	0.3
186.05495	1.6
189.05399	0.2
189.09174	0.1
191.03365	0.2
193.04936	0.2
195.02917	0.5
195.06461	0.9
203.03467	0.2
207.06525	10.7
208.06870	0.4
213.05470	0.7
215.10844	0.1
217.04904	0.1
218.05667	0.1
219.02849	0.3
219.06490	0.2
229.05008	0.2
231.06462	0.5
241.04962	1.2
245.04422	0.4
258.05209	0.5
258.26419	0.1
259.05984	0.3
263.05237	0.3
269.04346	0.1
271.06015	1.3
272.06274	0.3
273.07239	0.2
279.08783	0.2
287.05490	60.4
288.02859	0.2
288.05826	1.5
291.08575	0.2
302.04059	0.4
317.06522	2.9
321.09677	6.3
329.06616	0.6
339.10785	5.5
351.10690	0.6
353.12317	0.2
365.10217	0.1
369.11819	0.7
383.11282	0.2
395.07800	0.1
401.12430	0.1
625.15137	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.6
55.05514	13.0
57.03440	6.5
59.04990	0.9
61.02928	28.6
65.03931	2.0
67.05506	25.6
69.03424	8.9
69.07065	10.0
70.06574	2.5
70.21017	0.9
70.87891	1.3
71.01324	0.9
71.04982	4.1
72.65937	0.7
73.02643	0.7
73.02927	7.3
77.78037	0.9
79.05495	19.8
81.03431	6.0
81.06589	1.4
81.07057	27.7
83.01333	0.9
83.04980	4.6
83.08623	7.2
84.08145	1.2
85.02905	33.1
85.06532	2.8
86.09704	1.1
87.04446	0.8
91.03960	17.6
91.05482	35.1
93.07044	19.3
95.04968	5.5
95.08608	18.0
97.02304	1.2
97.02897	18.8
97.06544	4.8
97.10152	2.9
98.39993	1.0
99.04436	3.2
99.08154	1.0
103.05465	2.0
105.03383	1.8
105.07036	25.3
107.04974	5.0
107.08609	11.6
107.18881	0.8
109.02877	2.2
109.06541	4.2
109.10172	7.4
111.04455	2.3
111.08097	2.3
114.60343	0.7
115.03878	1.1
115.05440	3.3
115.75678	0.8
115.97991	1.0
117.07019	19.2
119.04960	5.9
119.08588	14.0
119.84943	0.7
120.08096	0.8
121.02840	1.0
121.06538	4.7
121.10140	8.1
122.43002	0.9
123.08052	5.1
123.11684	1.6
125.09618	2.3
127.03927	8.0
128.06229	4.9
129.05516	1.7
129.07001	25.7
130.07825	1.5
131.04912	1.6
131.08568	29.7
133.02838	1.0
133.06506	5.2
133.10126	10.8
135.04396	1.8
135.08018	4.0
135.11674	3.8
137.05939	1.3
137.09631	2.0
141.06976	10.5
142.07771	2.4
143.08556	19.9
144.09334	0.9
145.02820	1.4
145.04955	7.6
145.06448	6.1
145.10121	13.4
147.04382	4.0
147.08034	4.9
147.11717	4.5
148.37190	0.8
149.09584	3.4
149.13246	1.6
151.11201	1.6
153.01820	3.6
153.06958	2.2
153.09093	1.2
154.07735	0.9
155.08556	17.6
156.09317	1.0
157.06467	1.7
157.10123	12.0
159.08038	4.3
159.11659	8.5
161.05980	4.4
161.09610	3.7
161.13243	2.1
163.03925	0.9
163.05959	2.6
163.07384	0.9
163.11163	3.1
165.01741	0.9
165.06963	2.0
165.12781	0.9
166.07704	1.1
167.07022	2.4
167.08563	9.2
168.09361	1.1
169.10126	11.5
171.08057	2.3
171.11688	9.3
173.09595	3.0
173.11874	0.9
173.13269	3.3
175.03882	5.9
175.09782	0.8
175.11160	3.6
175.14752	1.2
177.05463	1.1
177.12747	2.7
178.07739	1.3
179.07071	1.2
179.08525	3.4
180.09361	1.7
181.04903	1.0
181.10133	9.0
182.10802	1.2
183.08041	1.1
183.11668	5.9
185.09621	2.6
185.11850	0.8
185.13251	5.4
187.03868	1.1
187.11197	2.8
187.14847	1.9
187.85133	0.8
189.12679	1.3
191.08566	1.4
192.09380	1.2
193.10170	4.2
195.11711	8.5
195.66611	0.8
197.09650	1.4
197.13330	5.4
199.11174	2.3
199.14835	3.3
201.12906	1.1
203.08641	0.9
203.14337	2.0
205.04915	1.7
205.10129	1.5
207.06520	9.2
207.11751	4.4
208.06902	1.9
209.13290	5.2
211.11127	2.0
211.14813	3.8
213.12698	2.7
213.16406	1.7
215.14285	3.8
217.15967	1.4
219.11624	1.1
221.13271	6.8
223.14867	6.0
225.12755	2.9
225.16389	1.5
229.15987	1.7
233.13290	1.6
235.14894	4.0
237.16403	1.9
239.14272	3.1
241.15871	1.6
243.13776	1.3
243.17482	1.4
245.15393	1.2
249.16434	1.3
253.15857	3.1
257.15433	2.8
259.17014	1.8
269.15240	0.8
271.06042	25.7
271.17166	3.9
272.06323	2.0
273.03696	0.9
275.16452	0.9
283.17029	1.1
285.07648	1.3
285.18481	1.1
287.05496	1.9
305.22586	1.9
315.04932	3.2
315.21130	1.7
317.06540	1.2
323.20108	1.6
323.23706	4.7
333.22186	10.3
341.24634	5.2
343.04404	2.4
351.23178	29.4
352.23560	1.2
353.12323	1.4
369.24231	18.4
387.25244	11.5
389.24667	1.1
407.25629	2.1
415.28659	1.1
425.27002	8.0
443.27933	100.0
444.28287	4.4
449.12234	2.1
461.29007	64.9
462.29028	2.5
467.27951	1.1
477.11801	3.6
485.28931	1.9
485.75381	1.0
489.10086	1.2
495.27307	1.0
569.30768	2.0
587.32416	2.1
605.32880	2.6
623.34131	2.8
754.30688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
55.05508	0.8
57.03437	5.2
59.05003	0.4
60.17345	0.2
61.02919	0.3
63.61232	0.2
65.03952	0.7
67.05521	0.4
68.99799	0.3
69.03430	6.4
69.19231	0.3
69.19643	1.8
70.06601	0.6
71.01349	0.5
71.04993	36.1
72.05307	0.3
72.08153	0.2
73.02917	0.8
75.02357	0.2
75.04480	1.4
77.03934	0.2
79.05486	0.6
81.03419	1.4
81.07060	0.8
83.04987	1.6
84.08149	0.3
85.02905	45.1
86.03240	0.2
86.06096	0.3
87.04465	1.2
89.03926	0.4
91.05482	8.2
93.07034	0.4
93.96619	0.2
95.04977	0.6
95.08623	0.5
97.02896	1.1
99.04468	1.3
103.03961	0.7
103.05462	0.6
105.03394	0.4
105.07048	0.6
107.04979	0.4
107.08576	0.3
109.02869	1.8
109.06564	0.3
109.10155	0.4
111.04414	1.5
111.04998	0.2
111.53057	0.2
119.04943	16.9
119.08581	0.2
120.08087	0.2
121.02889	0.6
121.06547	0.2
121.10126	0.3
123.04488	0.2
127.03914	5.1
129.05479	13.4
131.04924	0.4
131.08557	0.2
132.02072	0.4
133.02840	0.6
133.06479	0.4
133.10117	0.2
135.04399	0.5
135.11731	0.2
137.05977	0.3
145.02855	0.6
145.04982	0.7
145.06520	0.4
145.10152	0.5
147.04408	14.8
147.06406	3.2
148.04808	0.2
149.02316	0.4
151.03931	0.4
153.01805	1.8
156.85966	0.2
157.03966	1.4
157.06465	0.2
161.06030	0.4
163.03883	0.5
164.04767	0.4
167.07051	1.5
171.02992	0.3
173.05954	0.3
175.03908	32.8
176.04242	0.3
177.05479	0.4
179.07048	1.0
181.05034	0.3
181.08415	0.2
187.03812	0.2
187.06009	0.4
191.07066	0.3
192.04144	1.2
193.08612	0.2
195.02882	0.2
196.77382	0.2
203.07153	0.3
207.06523	100.0
208.06831	1.4
209.08127	0.3
219.06583	0.7
221.08113	0.2
224.76602	0.2
225.07571	4.1
229.04921	0.4
233.08109	0.4
235.06120	0.4
237.07573	0.2
241.05142	0.2
247.05943	0.2
255.13849	0.6
261.07611	0.4
263.09152	0.6
271.06003	41.1
272.06332	0.7
273.07764	0.3
273.11053	0.3
275.09045	0.3
285.07678	0.2
287.05640	0.2
291.08640	0.9
301.07193	0.2
302.04288	0.5
303.08823	0.2
317.06583	4.9
317.10071	0.4
329.06607	0.5
335.11316	0.5
351.10706	9.9
353.12354	1.2
357.05856	0.3
359.08005	0.2
369.11801	21.8
370.12155	0.6
469.54413	0.2
477.11752	0.5
495.06686	0.2
505.71805	0.2
515.17511	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	785.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
55.05508	0.8
57.03437	5.2
59.05003	0.4
60.17345	0.2
61.02919	0.3
63.61232	0.2
65.03952	0.7
67.05521	0.4
68.99799	0.3
69.03430	6.4
69.19231	0.3
69.19643	1.8
70.06601	0.6
71.01349	0.5
71.04993	36.1
72.05307	0.3
72.08153	0.2
73.02917	0.8
75.02357	0.2
75.04480	1.4
77.03934	0.2
79.05486	0.6
81.03419	1.4
81.07060	0.8
83.04987	1.6
84.08149	0.3
85.02905	45.1
86.03240	0.2
86.06096	0.3
87.04465	1.2
89.03926	0.4
91.05482	8.2
93.07034	0.4
93.96619	0.2
95.04977	0.6
95.08623	0.5
97.02896	1.1
99.04468	1.3
103.03961	0.7
103.05462	0.6
105.03394	0.4
105.07048	0.6
107.04979	0.4
107.08576	0.3
109.02869	1.8
109.06564	0.3
109.10155	0.4
111.04414	1.5
111.04998	0.2
111.53057	0.2
119.04943	16.9
119.08581	0.2
120.08087	0.2
121.02889	0.6
121.06547	0.2
121.10126	0.3
123.04488	0.2
127.03914	5.1
129.05479	13.4
131.04924	0.4
131.08557	0.2
132.02072	0.4
133.02840	0.6
133.06479	0.4
133.10117	0.2
135.04399	0.5
135.11731	0.2
137.05977	0.3
145.02855	0.6
145.04982	0.7
145.06520	0.4
145.10152	0.5
147.04408	14.8
147.06406	3.2
148.04808	0.2
149.02316	0.4
151.03931	0.4
153.01805	1.8
156.85966	0.2
157.03966	1.4
157.06465	0.2
161.06030	0.4
163.03883	0.5
164.04767	0.4
167.07051	1.5
171.02992	0.3
173.05954	0.3
175.03908	32.8
176.04242	0.3
177.05479	0.4
179.07048	1.0
181.05034	0.3
181.08415	0.2
187.03812	0.2
187.06009	0.4
191.07066	0.3
192.04144	1.2
193.08612	0.2
195.02882	0.2
196.77382	0.2
203.07153	0.3
207.06523	100.0
208.06831	1.4
209.08127	0.3
219.06583	0.7
221.08113	0.2
224.76602	0.2
225.07571	4.1
229.04921	0.4
233.08109	0.4
235.06120	0.4
237.07573	0.2
241.05142	0.2
247.05943	0.2
255.13849	0.6
261.07611	0.4
263.09152	0.6
271.06003	41.1
272.06332	0.7
273.07764	0.3
273.11053	0.3
275.09045	0.3
285.07678	0.2
287.05640	0.2
291.08640	0.9
301.07193	0.2
302.04288	0.5
303.08823	0.2
317.06583	4.9
317.10071	0.4
329.06607	0.5
335.11316	0.5
351.10706	9.9
353.12354	1.2
357.05856	0.3
359.08005	0.2
369.11801	21.8
370.12155	0.6
469.54413	0.2
477.11752	0.5
495.06686	0.2
505.71805	0.2
515.17511	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	785.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.1
55.05506	0.2
65.03928	0.3
67.01863	0.5
68.99763	0.4
69.03430	0.7
69.41812	0.5
71.01340	0.2
71.04967	0.1
76.03130	0.1
77.03910	0.1
81.03419	0.1
81.85417	0.1
83.04983	0.5
85.02898	0.3
87.54874	0.1
89.03918	0.1
91.05481	3.2
95.04946	0.2
97.02872	0.2
99.04452	0.2
103.05459	0.1
105.03389	0.1
105.06967	0.1
107.04962	0.1
109.02851	0.1
111.04459	0.7
115.83064	0.1
117.25449	0.1
118.04176	0.1
119.04936	6.2
121.02865	0.9
127.03898	0.1
129.01813	0.2
129.05472	0.2
131.04927	0.1
132.02025	0.1
133.02831	0.1
135.04436	0.1
145.02820	0.9
147.04407	4.2
149.02301	0.2
153.01820	4.8
157.03967	0.4
163.03941	0.5
164.04633	0.1
165.01736	0.1
167.06998	0.4
171.02885	1.1
173.05971	0.1
175.03905	7.7
179.06947	0.4
181.27667	0.1
187.03857	0.2
189.05374	0.1
191.07092	0.1
192.04161	0.2
193.05040	0.2
203.07010	0.3
207.06523	17.1
208.06895	0.3
215.07095	0.1
225.05460	0.6
225.07581	0.3
229.04976	0.4
233.08211	0.1
241.08813	0.1
242.05736	0.1
243.06490	0.3
247.06068	0.3
253.05013	0.1
257.08350	0.1
270.05246	0.1
271.06000	100.0
272.06311	1.9
273.11194	0.1
275.09079	0.1
283.06003	0.2
285.07529	0.7
289.10883	0.1
295.06110	0.1
297.07504	0.1
299.09122	0.1
301.07153	0.1
313.07010	0.2
317.10239	0.2
329.06442	0.1
353.12299	4.3
381.09525	0.2
384.02545	0.1
433.11285	1.3
477.11694	0.1
579.16290	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	785.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.1
55.05516	0.3
57.02361	0.1
57.03421	0.1
63.02354	0.1
65.03926	0.4
67.01862	0.6
68.99773	0.6
69.00130	0.1
69.03084	0.1
69.03427	1.4
69.51055	0.4
71.01337	0.3
71.04992	0.7
76.03146	0.1
77.03921	0.1
79.05508	0.1
81.03413	0.2
83.04977	1.4
85.02898	1.0
89.03925	0.2
91.05474	5.6
95.04961	0.2
97.02869	0.1
98.20816	0.1
99.04453	0.6
103.05434	0.2
103.65766	0.1
105.03369	0.2
105.07044	0.1
107.04959	0.1
109.02865	0.2
111.00760	0.1
111.03708	0.1
111.04430	1.3
115.05449	0.1
117.89751	0.0
118.04148	0.1
119.04932	10.0
120.05276	0.2
121.02840	1.2
123.04466	0.1
125.02361	0.1
125.05988	0.1
127.03914	0.1
129.01826	0.2
129.03328	0.2
129.05472	0.5
131.04895	0.2
132.02005	0.3
133.02829	0.1
133.06526	0.1
135.04381	0.1
136.05144	0.1
141.06912	0.1
145.02827	1.4
145.06456	0.1
146.03603	0.1
147.04398	7.3
148.04799	0.1
149.02321	0.2
153.01819	5.5
155.07089	0.1
157.03964	0.8
157.06511	0.1
161.05978	0.2
162.03104	0.1
163.03906	0.7
164.04668	0.2
167.07019	1.5
169.04974	0.2
169.06389	0.1
171.02892	1.3
173.05927	0.1
174.03073	0.1
175.03893	13.8
176.04216	0.3
179.06996	0.6
182.17038	0.1
187.03897	0.2
187.07458	0.1
191.07004	0.2
192.04134	0.3
193.08513	0.1
195.08124	0.1
197.05945	0.2
198.06628	0.1
201.05536	0.1
202.06172	0.1
203.06996	0.3
207.06511	32.2
208.06885	0.7
213.09076	0.2
215.07024	0.1
219.06541	0.2
225.05453	0.7
225.07478	0.1
229.04948	0.4
229.08450	0.1
233.08017	0.2
235.05946	0.2
237.07573	0.1
239.07022	0.1
241.08554	0.2
243.06464	0.4
245.11778	0.1
247.06007	0.2
251.05444	0.1
253.04997	0.1
257.08041	0.2
257.43152	0.1
267.06442	0.1
270.05133	0.1
271.05988	100.0
272.06332	2.2
272.09344	0.1
273.11227	0.4
275.08975	0.1
283.05972	0.2
284.06638	0.1
285.07584	0.1
289.10605	0.2
291.12234	0.1
293.10168	0.2
295.05936	0.1
299.08972	0.5
301.89163	0.1
309.07669	0.1
313.07187	0.3
317.10178	0.8
337.07034	0.1
351.10629	0.2
353.12283	6.8
354.12469	0.2
363.08548	0.1
369.11691	0.1
381.09464	0.1
433.11270	1.1
434.11523	0.1
585.19458	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	784.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.05029	0.6
67.05501	0.4
68.05019	0.4
69.07060	0.9
69.47807	0.6
69.48233	0.9
70.06567	0.2
71.08617	1.0
71.63440	0.2
81.07037	0.4
83.93560	0.2
86.09703	100.0
87.10036	0.7
91.05478	0.6
93.07032	0.3
98.09692	1.5
98.21492	0.4
100.38729	0.2
103.05476	1.0
105.03352	0.4
105.07018	1.7
110.09684	0.3
112.11235	7.0
117.06967	0.3
120.08100	42.6
121.08457	0.6
125.26148	0.2
125.46345	0.2
131.11850	0.2
132.08095	0.3
139.12297	0.3
146.09657	2.2
154.15900	17.8
155.16284	0.2
157.13364	10.4
167.11821	0.4
173.02432	0.2
181.17029	0.3
182.15469	0.4
183.18573	0.3
185.12854	12.9
188.14345	6.8
191.11823	0.6
199.18047	15.5
200.18550	0.3
201.01810	0.3
202.02057	0.2
203.03452	0.4
209.16521	0.8
219.11353	1.3
225.19592	6.3
227.17528	12.7
228.17905	0.3
233.16475	15.6
234.16884	0.4
235.17981	0.3
243.14989	0.5
253.19107	7.0
259.18057	2.2
261.15979	14.7
267.24292	7.0
269.08154	0.5
277.22934	0.3
280.20325	0.6
281.18893	0.3
287.17587	2.5
295.20554	0.2
295.23764	4.4
298.21252	7.3
299.21564	0.5
301.22720	7.6
301.26038	0.5
311.21329	0.4
314.18750	0.3
322.24957	0.4
326.21048	0.3
329.22189	3.9
332.19687	5.6
332.23535	0.4
333.19925	0.2
340.25922	2.8
356.23413	0.8
360.19315	0.3
366.27448	2.3
374.24307	4.3
374.28766	0.3
383.30081	1.3
400.26031	3.1
401.26489	0.2
402.24283	0.3
408.32315	0.6
411.29669	4.5
411.34906	0.3
417.28616	1.6
425.34796	0.4
442.30753	2.0
445.28152	4.8
453.34335	0.7
459.33356	1.4
469.32117	0.2
479.35846	1.9
487.32889	2.7
496.38556	1.2
497.31229	0.3
513.34308	3.8
514.34985	0.2
515.32306	0.2
524.38013	3.9
527.39722	0.5
530.36969	2.2
555.39172	1.9
558.36542	9.2
559.36871	0.4
568.35016	0.3
572.41943	0.6
586.36322	0.6
592.44348	1.2
600.41058	1.4
608.43213	0.2
609.47632	0.4
626.42853	5.5
627.43127	0.5
637.46143	1.8
643.45264	4.7
644.46198	0.3
653.43976	0.8
654.00726	0.3
668.47498	0.8
671.44867	14.6
672.45221	0.9
681.43103	0.3
699.43774	0.4
711.50446	0.3
713.49304	0.5
739.51080	2.8
756.53741	5.4
757.53735	0.6
766.51764	1.9
784.53296	7.0
785.53448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.4
60.05622	0.5
64.51310	0.4
65.03947	0.6
67.05500	0.5
68.05043	1.3
68.94751	0.4
69.03417	1.3
69.07064	1.8
69.39861	3.1
70.06593	100.0
71.04996	0.8
71.06928	0.9
72.08153	1.3
75.05603	0.8
81.03439	0.7
81.07047	0.5
82.06565	0.7
82.45521	0.3
84.08141	1.1
85.02919	1.2
85.06554	0.9
85.07666	0.6
86.09705	10.1
86.10184	0.8
91.05476	1.3
92.02586	0.5
93.07087	0.4
95.05009	0.6
95.06123	0.8
96.08139	4.0
96.30167	0.4
97.02893	0.8
97.07646	2.1
98.00607	0.4
98.06055	7.2
99.09214	0.9
109.02857	0.7
112.08723	9.4
112.11273	1.2
113.07133	8.7
114.10281	3.3
115.08691	9.5
115.09452	0.6
116.07095	0.5
116.10770	0.5
118.06502	0.4
119.04945	1.1
120.04467	6.1
120.08138	0.8
121.02858	0.6
121.06547	0.5
124.08741	2.5
125.07130	2.0
126.05520	4.1
127.03928	0.9
127.08730	1.4
132.04443	0.5
136.07581	0.9
138.09167	0.6
138.12769	2.9
139.09802	0.9
140.08191	4.5
141.10236	4.8
143.08093	0.5
143.11800	3.1
146.05989	6.7
147.04442	3.8
151.07504	0.6
151.12352	1.1
152.08159	0.5
153.10274	0.9
155.08200	0.9
157.07664	0.6
157.10867	8.1
158.28343	0.5
160.07619	0.6
162.05588	0.5
163.08701	2.3
164.11882	0.9
166.09758	0.8
167.07028	0.5
167.09357	1.1
167.11794	2.8
169.09715	2.6
171.11343	1.5
174.05515	8.0
176.11902	1.1
177.10248	0.8
179.11827	1.3
180.11371	0.7
184.11891	0.5
185.07109	5.5
185.10417	1.8
187.08708	0.9
191.12982	0.8
192.11304	4.5
193.14586	0.9
194.12846	4.0
195.11272	3.7
205.04948	0.8
206.04500	0.7
207.06581	0.9
209.13924	0.6
212.13936	6.2
212.16147	0.6
213.06599	5.3
214.09627	0.4
231.07715	1.3
237.13469	5.3
242.15007	0.8
248.10420	1.0
254.16161	8.2
265.15802	0.6
270.12381	0.5
271.06134	2.5
271.18951	1.4
285.13837	0.6
287.05545	0.9
294.15683	0.5
298.15622	1.8
306.05505	0.6
306.19302	5.3
309.13254	0.5
309.19324	2.2
310.07092	0.9
326.15262	0.8
328.08209	1.1
330.15717	1.4
333.20175	0.7
334.18771	3.0
351.21420	5.7
368.24222	1.3
387.17987	0.6
397.18564	0.5
415.17194	1.2
427.20938	0.8
442.58020	0.5
459.20078	0.5
501.26108	0.6
524.26074	0.7
581.28424	1.1
586.34155	0.6
666.36774	0.9
765.40442	1.7
766.23651	0.6
782.43079	95.5
783.43384	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	782.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
56.05038	0.5
57.38229	0.3
67.05504	0.3
69.07067	1.7
70.06589	0.5
71.53543	0.3
72.08156	8.7
77.85796	0.2
84.08157	0.5
85.61618	0.2
86.09703	17.8
86.64454	0.2
91.05471	1.1
93.07046	1.0
95.04947	0.3
95.08585	0.3
103.05460	2.7
104.10728	0.5
105.03366	0.3
105.07027	1.0
112.11247	0.5
117.07031	0.3
118.06530	0.3
120.08100	100.0
121.08459	1.6
129.06956	0.4
130.06541	0.9
132.08084	3.1
140.14363	1.0
143.11783	2.7
145.47675	0.3
146.09639	5.2
171.11310	1.1
174.12755	4.4
175.03825	0.5
177.10228	11.9
185.16533	1.1
188.14342	2.8
191.11786	2.3
203.11790	1.0
205.09723	12.0
205.15718	0.3
206.09805	0.3
211.18146	0.4
213.15991	0.9
215.08238	0.3
219.11313	2.8
219.14902	0.7
222.12715	2.1
228.13336	0.3
231.11246	1.3
231.14977	1.2
233.16498	2.8
245.16454	2.5
259.14502	1.4
259.17938	0.8
261.15970	1.3
267.14932	5.8
273.15976	2.6
276.13425	5.6
277.13693	0.3
279.14929	3.0
284.19757	1.3
287.17651	0.3
287.21008	0.6
293.16519	1.4
295.14392	3.2
307.14407	4.0
315.20825	0.8
318.18085	1.8
321.16132	0.4
321.19583	1.6
324.16953	0.6
334.15594	0.5
335.21231	1.2
335.24808	0.3
347.20834	1.1
349.19156	0.3
352.16534	5.7
353.16562	0.4
360.22726	0.4
363.20743	0.8
375.20212	2.5
378.17911	1.9
386.24429	1.0
389.21896	0.6
395.20819	1.1
403.27078	0.4
406.21216	1.5
420.22833	0.8
423.20169	3.8
431.26501	0.7
454.21378	0.7
460.29626	0.4
465.25064	1.1
471.23965	1.4
477.24792	2.2
488.28595	1.6
491.26199	0.7
494.27808	2.0
499.23413	0.7
508.29352	0.6
519.29425	0.4
522.27081	5.5
525.24738	2.5
533.31158	0.8
536.28442	1.6
542.27820	1.4
553.28156	0.7
567.29718	0.8
570.27100	4.3
578.32953	0.3
584.32007	0.5
590.33423	1.8
595.03461	0.3
598.29749	0.4
607.36023	1.7
612.31641	0.4
617.34802	0.3
624.31653	3.2
625.31976	0.4
635.35382	3.5
638.33154	1.8
641.34485	3.2
655.36090	1.7
669.33771	4.2
683.35425	2.0
709.40802	0.5
737.39459	0.8
744.48993	0.3
754.42712	0.8
764.39777	0.3
782.42633	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33836	0.3
56.33217	0.3
68.05022	1.1
69.03441	0.4
69.07056	0.7
69.87062	2.0
70.06589	100.0
71.04982	0.5
71.06940	0.7
75.05598	0.5
81.03407	0.3
82.06574	0.9
84.08134	0.8
85.07669	0.9
86.09706	9.2
93.07047	0.4
93.99010	0.4
95.06105	1.1
96.08131	4.5
97.02905	0.3
97.07682	1.1
98.06052	7.2
98.06678	0.5
98.09673	0.7
98.20736	0.5
99.09249	1.1
112.08726	12.2
112.09492	0.6
112.11260	0.8
113.07125	11.5
113.07919	0.6
114.10305	1.5
114.43757	0.4
115.08686	8.8
116.07094	1.1
122.09656	0.6
124.07604	0.5
124.08743	0.8
124.11284	0.3
125.07122	1.8
125.10667	0.5
126.05520	4.1
127.08703	1.1
130.06520	10.7
132.08116	1.4
137.07025	0.7
137.10693	0.4
138.12769	2.3
140.08179	1.9
141.10222	6.3
141.11299	0.3
141.13831	0.5
143.08189	0.4
143.11789	4.2
144.08102	1.5
147.04430	0.5
149.09665	0.7
149.10791	0.4
151.08743	0.7
151.12334	2.5
152.07101	0.7
152.08235	1.4
153.10269	0.6
154.09668	0.5
155.08168	1.0
157.10916	0.6
159.09171	7.9
159.10390	0.5
164.11862	1.0
166.13431	0.4
167.09354	0.6
167.11816	2.7
169.09688	3.6
169.10974	0.4
170.06021	2.6
171.09163	1.6
171.11288	1.8
176.11859	0.7
177.10257	1.1
179.11815	1.1
185.10431	1.5
187.08638	0.4
189.90410	0.4
191.12970	0.5
192.11301	6.2
192.12915	0.4
193.14526	0.9
194.12862	6.1
195.07639	0.6
195.11288	4.8
196.14542	0.4
196.83096	0.3
197.10541	0.5
198.12877	0.7
199.08698	1.3
206.04567	0.4
207.11221	0.4
209.13965	1.6
209.16528	0.6
211.12344	0.7
212.10378	0.6
212.13930	9.1
220.34605	0.4
224.13963	0.9
227.08070	2.2
236.15395	0.4
237.13464	11.4
237.15869	0.6
238.13800	0.4
239.11636	0.7
242.15060	0.7
244.10835	4.9
254.16096	2.8
256.14505	1.1
265.12891	0.4
265.15338	0.8
266.15704	0.5
271.06128	0.9
284.14212	0.5
284.17557	0.4
287.05688	1.4
288.05865	0.5
294.15750	1.2
298.16595	5.9
306.19226	7.8
309.19147	3.0
312.17184	0.6
326.16425	1.1
329.19617	0.4
334.18680	6.5
341.16132	0.8
351.17853	0.5
351.21420	2.2
355.18600	0.5
357.19452	0.5
366.15872	0.6
383.18539	1.2
391.20880	0.6
395.22055	1.3
405.22568	0.4
423.21729	1.1
435.21524	0.5
452.23752	0.5
463.20889	0.5
468.27167	1.1
480.23453	3.0
492.26904	1.8
520.26367	0.9
549.29871	0.8
565.32355	0.7
577.28790	2.0
582.35254	0.6
594.32056	0.5
662.37256	1.3
679.40442	0.7
733.41809	0.5
761.40802	2.4
778.43518	97.9
779.43726	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	776.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.3
55.05515	40.8
57.03441	18.8
57.07083	3.4
59.04998	3.6
61.02924	6.0
66.04523	2.0
67.05507	100.0
67.58059	2.2
69.03440	4.2
69.07072	24.4
70.06597	4.9
71.04982	5.0
71.52256	3.8
79.05497	44.6
81.03423	5.8
81.07065	59.3
83.04981	5.4
83.08617	13.6
85.02913	16.2
85.06558	4.6
87.04440	6.5
91.05482	22.4
93.01009	2.1
93.07054	37.5
95.04957	7.3
95.08053	3.9
95.08612	43.4
97.02871	2.8
97.06528	5.5
97.10174	21.5
105.07036	17.6
107.08615	31.1
109.06554	3.6
109.10165	54.8
111.08089	2.9
116.07072	5.4
117.07017	6.3
119.08559	13.7
121.10144	23.0
123.08036	4.2
123.11667	3.6
125.09639	22.8
129.06985	3.4
131.08575	11.9
133.10124	11.7
134.34024	2.0
135.11691	13.0
137.09590	2.3
143.10603	3.9
145.10165	13.5
147.11691	7.5
149.13245	6.4
157.10130	3.1
159.11696	3.8
161.13251	5.7
163.11154	3.2
173.11769	19.9
173.13200	4.5
175.03934	8.4
183.11717	2.8
199.13223	10.7
209.11731	2.5
227.12801	10.1
229.14357	44.6
241.08629	2.8
243.21022	3.9
245.13777	2.3
247.09686	6.1
261.22156	14.6
289.22018	2.7
301.16559	16.4
306.09634	2.6
315.23087	2.4
335.25806	73.5
336.26416	3.6
459.34326	3.4
477.35995	10.5
489.35736	17.1
561.37738	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	776.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.3
55.05515	40.8
57.03441	18.8
57.07083	3.4
59.04998	3.6
61.02924	6.0
66.04523	2.0
67.05507	100.0
67.58059	2.2
69.03440	4.2
69.07072	24.4
70.06597	4.9
71.04982	5.0
71.52256	3.8
79.05497	44.6
81.03423	5.8
81.07065	59.3
83.04981	5.4
83.08617	13.6
85.02913	16.2
85.06558	4.6
87.04440	6.5
91.05482	22.4
93.01009	2.1
93.07054	37.5
95.04957	7.3
95.08053	3.9
95.08612	43.4
97.02871	2.8
97.06528	5.5
97.10174	21.5
105.07036	17.6
107.08615	31.1
109.06554	3.6
109.10165	54.8
111.08089	2.9
116.07072	5.4
117.07017	6.3
119.08559	13.7
121.10144	23.0
123.08036	4.2
123.11667	3.6
125.09639	22.8
129.06985	3.4
131.08575	11.9
133.10124	11.7
134.34024	2.0
135.11691	13.0
137.09590	2.3
143.10603	3.9
145.10165	13.5
147.11691	7.5
149.13245	6.4
157.10130	3.1
159.11696	3.8
161.13251	5.7
163.11154	3.2
173.11769	19.9
173.13200	4.5
175.03934	8.4
183.11717	2.8
199.13223	10.7
209.11731	2.5
227.12801	10.1
229.14357	44.6
241.08629	2.8
243.21022	3.9
245.13777	2.3
247.09686	6.1
261.22156	14.6
289.22018	2.7
301.16559	16.4
306.09634	2.6
315.23087	2.4
335.25806	73.5
336.26416	3.6
459.34326	3.4
477.35995	10.5
489.35736	17.1
561.37738	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	774.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
55.05506	14.9
57.03154	1.2
57.03434	16.7
57.07063	3.0
59.87973	0.9
65.03908	2.4
67.05501	57.5
69.03407	2.8
69.07059	15.4
70.79231	2.1
71.04991	3.5
71.08617	1.0
76.96783	0.9
79.05486	41.4
81.03413	81.0
81.07050	56.5
82.95441	1.0
83.04980	5.2
83.08608	20.3
85.02906	1.5
85.06547	2.4
91.05472	32.8
93.07038	45.1
95.04965	25.0
95.08604	41.4
97.02882	3.5
97.06521	3.2
97.10156	8.2
99.08070	2.2
105.04518	1.2
105.07023	24.1
107.04933	6.3
107.08586	25.3
109.06526	6.9
109.10143	17.9
111.04482	1.3
111.08069	7.3
115.05510	1.1
117.07001	6.6
119.08572	24.5
121.06512	3.4
121.09330	1.6
121.10142	22.1
123.04349	1.3
123.08044	4.0
123.11674	6.9
125.09601	4.7
129.07007	10.5
130.09776	1.3
131.08562	17.5
133.06497	3.1
133.10109	13.6
135.08026	1.9
135.11707	12.6
137.09593	2.8
137.13237	2.2
142.07762	2.5
143.08537	3.4
145.10124	10.1
147.08054	4.5
147.11673	12.8
149.09610	5.4
149.13275	7.5
153.09079	1.3
155.08502	1.4
157.10126	12.1
159.11681	7.3
161.13194	5.4
163.11116	3.1
163.14781	3.9
165.12717	2.2
171.11693	2.0
173.13269	5.0
175.11209	9.8
175.14833	2.2
177.12758	1.5
183.11652	1.3
185.13249	1.7
187.11186	0.9
187.14833	2.7
189.11218	4.4
193.12225	20.9
197.13213	1.3
199.11345	1.2
199.14857	1.7
201.16414	1.1
209.15385	1.0
211.13287	2.2
227.12756	6.6
228.88498	1.1
243.21075	5.7
249.14893	3.2
261.22125	19.8
267.15900	100.0
268.16248	3.0
273.15045	1.3
279.23260	1.5
285.21893	1.4
299.23685	1.5
301.25266	6.6
309.16995	2.6
317.24768	3.3
328.47772	1.1
335.25778	90.2
336.26181	3.0
357.27634	1.7
421.25839	1.6
435.27737	2.4
435.32483	6.2
453.33685	10.1
471.34769	5.1
472.93991	1.1
503.39578	1.4
509.36575	1.6
527.37299	62.1
528.37201	3.8
536.02606	1.2
545.38300	44.6
546.38971	2.3
559.39758	1.5
569.38300	4.8
635.38812	2.1
785.17438	1.1
795.42889	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	27.6
57.03423	12.0
57.07067	4.1
61.02922	15.5
65.03936	5.2
67.05180	6.3
67.05508	67.7
69.03437	4.7
69.07071	27.4
70.55656	3.8
71.53437	3.7
71.53945	6.4
75.20715	3.7
79.05484	56.5
81.07061	76.0
83.08611	13.4
85.02897	11.5
91.03972	5.2
91.05480	48.3
93.07051	71.7
95.04970	6.4
95.08599	58.4
97.02875	7.3
97.06514	6.2
97.10143	4.8
105.07033	57.3
107.08582	34.3
109.06535	4.6
109.10172	21.6
109.10786	4.6
117.07024	18.6
119.08585	52.1
121.10138	33.2
123.11669	7.4
129.07004	10.9
130.84468	4.4
131.08560	32.1
133.10150	36.7
135.08067	7.3
135.11682	18.4
143.08566	8.8
145.10161	31.3
147.08067	6.5
147.11711	27.5
149.13252	13.3
155.08496	5.1
157.10110	21.6
159.11699	27.1
161.13274	27.3
163.14838	7.4
169.10196	5.4
171.11696	13.3
173.13254	20.0
175.14839	12.5
181.00792	4.3
183.11650	6.7
185.13301	11.7
187.11011	4.8
187.14868	10.4
199.14845	5.8
201.16478	5.2
211.14850	5.1
213.16504	7.6
231.21263	4.3
241.19510	25.1
243.21033	4.6
257.18958	7.5
259.20609	47.4
261.22144	5.3
333.24268	28.4
335.25803	73.6
519.42078	7.3
593.45428	14.8
611.37781	7.2
611.46826	100.0
613.44855	5.6
737.48853	5.3
750.79120	4.7
755.51080	7.2
773.51746	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	773.2127
Annotation	Quercetin 3-glucosyl-(1->6)-glucosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
55.01863	0.4
55.05486	0.2
57.03436	1.0
58.94395	0.1
61.02926	0.7
61.18090	0.1
65.03938	0.2
68.99794	0.5
69.03425	1.7
69.43349	0.9
70.06558	0.2
71.01331	0.2
71.04990	3.3
72.08123	0.2
73.02902	0.5
75.04477	0.5
81.03413	1.1
83.04968	0.4
85.02901	9.9
86.03244	0.1
87.04472	0.3
91.03950	0.2
93.03397	0.3
95.04958	0.3
96.46719	0.1
97.02885	1.9
99.04443	0.3
100.20267	0.1
100.36961	0.1
105.90837	0.1
109.02879	0.9
111.00790	0.7
111.04459	0.4
118.07401	0.1
121.02835	0.9
123.04440	0.2
127.03905	1.5
128.75983	0.1
129.04515	0.2
129.05472	2.6
129.10213	0.1
129.79819	0.1
135.04417	0.2
137.01448	0.2
137.02332	4.1
137.03378	0.1
145.04942	1.0
145.05948	0.1
145.06502	0.1
147.06503	1.1
149.02345	0.5
151.03838	0.1
153.00569	0.2
153.01811	3.4
155.04915	0.2
161.05946	0.2
163.03926	0.7
163.06013	0.1
165.01837	1.8
165.05521	0.1
166.02681	0.2
173.05956	0.2
177.05487	0.2
183.02881	0.8
183.04280	0.2
187.03964	0.3
191.03429	0.2
195.02824	0.2
201.05457	1.5
205.04962	0.2
211.04019	0.1
213.05566	0.1
219.06537	0.3
228.04193	0.1
229.04970	4.0
233.04408	0.1
239.03513	0.2
247.05983	0.8
257.04422	2.9
274.04626	0.8
275.05429	0.2
285.03912	1.2
287.05484	2.7
303.04968	100.0
304.05322	2.7
313.21213	0.1
315.04819	0.1
345.06003	0.5
353.00082	0.1
369.06006	0.1
449.10587	0.4
465.10245	3.6
611.15820	0.5
764.29248	0.1
773.39001	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2128
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01840	0.3
55.05487	0.1
57.03436	1.7
59.04946	0.1
61.02923	0.6
65.03904	0.2
65.71578	0.1
68.99754	0.5
69.03428	1.2
69.63448	0.7
71.01324	0.2
71.04992	8.5
73.02869	0.4
75.04440	0.3
80.15214	0.1
81.03414	0.6
83.04962	0.5
85.02902	12.6
87.04451	0.3
91.03939	0.1
93.03412	0.1
95.04919	0.2
97.02896	1.4
99.04414	0.3
103.03922	0.1
109.02842	0.5
111.00790	0.8
111.04440	0.2
121.02853	0.8
123.04440	0.1
127.03914	1.2
129.05481	2.5
133.84387	0.1
135.04361	0.1
137.01385	0.1
137.02328	2.4
145.04970	0.9
145.05945	0.2
145.06497	0.1
147.04324	0.1
147.06502	0.6
149.02304	0.4
153.01810	2.3
159.04469	0.1
161.05899	0.3
163.03882	0.2
163.06013	0.1
165.01839	1.6
166.02637	0.2
173.05994	0.2
183.02936	0.8
183.04260	0.1
187.03874	0.3
201.05458	1.0
205.05025	0.1
219.02910	0.1
219.06477	0.3
229.04970	3.1
230.05220	0.2
247.06061	0.7
257.04456	2.6
274.04694	0.5
275.05521	0.2
285.03918	1.2
287.02271	0.2
287.05502	5.2
303.04971	100.0
304.05289	2.8
345.05908	0.3
369.05972	0.1
447.08893	0.1
449.10696	1.0
462.83432	0.1
465.10284	24.1
466.10510	0.8
628.30322	0.1
799.39807	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	771.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
55.05513	12.1
57.03428	4.7
57.07064	2.1
61.02929	15.5
65.03933	2.1
67.05505	24.0
69.03434	7.1
69.07066	8.9
70.73174	2.9
71.01344	1.0
71.04990	1.6
71.08654	1.1
73.02924	8.5
79.05495	14.2
81.03408	3.0
81.06596	1.3
81.07058	19.6
83.04965	1.3
83.08628	5.8
85.02903	12.3
85.06542	1.4
91.03950	6.6
91.05479	13.8
93.07040	15.9
95.04964	2.5
95.08616	16.0
97.02903	12.2
97.06542	1.2
97.10123	1.9
98.21355	1.0
99.04419	1.4
101.02383	1.9
105.04529	1.1
105.07035	13.2
105.40611	1.1
107.04996	1.1
107.08591	11.4
109.06509	1.1
109.10159	8.2
111.08100	1.2
117.07006	7.1
119.08588	13.2
121.10162	5.5
123.08029	1.6
123.11681	2.3
127.03918	1.6
128.06219	3.1
129.06992	10.0
131.08560	11.7
133.10133	7.4
135.11690	4.0
137.13269	1.6
141.06995	4.2
142.07779	1.8
143.08556	12.1
145.10118	11.8
147.11676	5.4
149.13263	2.6
153.06960	2.2
154.07671	1.0
155.08563	10.0
156.96379	1.0
157.10123	10.1
159.11697	8.9
161.13239	2.8
165.06992	1.5
166.07803	1.8
167.08539	4.4
168.09377	1.2
169.10146	13.6
170.10701	1.3
171.11703	9.8
173.13293	5.0
175.14761	1.1
179.08517	1.4
181.10098	5.8
183.11690	12.6
185.13272	6.9
187.14801	3.6
192.09453	1.1
193.10107	2.9
195.11656	6.7
197.13266	9.1
199.14821	4.1
201.16344	1.9
207.11661	2.2
209.13167	5.6
211.14830	4.2
213.16393	2.3
221.13232	2.7
223.14804	5.6
225.16377	2.4
227.17947	2.5
231.17374	1.1
235.14821	1.9
237.16357	2.9
238.28847	1.1
239.17841	2.1
241.19676	1.3
249.16568	1.6
251.17943	1.6
253.19669	1.1
255.21152	1.7
290.24786	1.0
309.22162	1.4
337.25406	1.1
339.23138	1.2
351.26630	1.4
393.27570	1.3
393.69083	1.2
395.29550	1.1
421.30804	1.4
447.32602	1.8
487.34705	1.5
515.37280	1.4
517.40417	7.5
535.41327	2.4
539.36975	2.7
541.38824	1.6
545.37836	6.9
550.65302	1.0
591.43909	7.2
607.43042	2.1
609.45117	100.0
610.45294	6.5
675.45575	1.1
753.49347	2.1
771.50659	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	771.2334
Annotation	Kaempferol 4'-methyl ether 3-(2Glc-glucosylrutinoside)
Peak:m/z	Relative Intensity
55.01848	0.3
57.03441	0.8
61.02909	0.5
67.05511	0.2
68.99785	0.2
69.03084	0.2
69.03423	1.5
70.06576	0.5
71.04988	2.5
72.08144	0.3
73.02892	0.3
75.04463	0.3
79.05483	0.2
81.03400	0.6
83.04969	0.5
84.08146	0.2
85.02905	8.2
86.09682	0.3
86.65545	0.1
87.00851	0.1
87.04456	0.4
91.03918	0.2
91.05469	0.2
95.04953	0.2
97.02391	0.1
97.02900	1.8
99.04449	0.4
105.07007	0.2
107.04954	0.2
109.02895	0.6
111.00784	0.1
111.04424	0.3
112.05925	0.1
119.04940	0.2
121.02868	0.2
121.06546	0.2
127.03930	0.8
128.07071	0.2
129.05479	1.9
131.08566	0.1
133.06464	0.2
135.04410	2.7
137.02359	0.6
139.03902	2.2
145.04945	0.6
147.04413	0.4
147.06508	0.5
149.05957	0.1
153.01826	2.8
161.05977	0.8
165.01837	1.2
167.07092	0.2
177.05418	0.2
183.02882	0.6
185.05876	0.1
201.05446	0.1
206.04417	0.2
207.06430	0.3
213.05492	0.5
227.07210	0.2
229.04941	0.5
230.05743	2.0
241.04863	0.2
245.08154	0.4
255.06433	0.3
257.04419	0.5
258.05234	3.2
269.04370	0.7
272.06796	0.7
285.03845	0.2
286.04718	3.7
287.05371	0.2
301.07056	100.0
302.04279	0.3
302.07419	2.7
303.04886	0.2
303.08380	0.1
309.07605	0.3
313.07095	0.3
317.06461	0.3
321.07452	0.2
322.08362	0.2
335.09161	0.2
339.08743	0.7
343.08038	0.6
351.08572	0.6
363.08484	0.2
367.07944	0.2
369.09564	0.2
393.09491	0.4
417.09567	0.2
423.10681	0.2
427.10477	0.2
435.10733	0.2
445.10992	0.2
453.11542	0.2
463.12308	2.8
464.12701	0.2
471.13016	0.9
489.13925	0.3
495.13123	0.2
525.13953	0.2
555.15741	0.1
573.16077	0.2
579.91541	0.1
591.17084	0.3
609.18042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
55.05522	0.3
57.03420	0.2
57.07052	0.1
60.04505	0.2
61.02917	0.1
65.03932	0.3
67.01853	0.5
67.05487	0.5
68.99771	0.6
69.03427	1.7
69.07054	0.3
70.06599	1.3
71.01337	0.2
71.04980	0.3
71.53291	0.2
71.53695	0.1
72.08151	0.1
78.45733	0.1
79.05477	0.5
81.03419	0.8
81.07058	0.7
83.04970	1.4
84.04510	0.2
84.08139	0.4
85.02904	1.2
85.06535	0.2
86.09705	0.2
87.00785	0.2
90.08750	0.1
91.05465	1.1
93.07037	0.2
95.04971	0.4
95.08588	0.4
97.02885	0.6
97.06543	0.2
97.10188	0.1
97.76827	0.1
99.04469	0.9
103.03934	0.1
103.05430	0.2
104.68688	0.1
105.03385	1.0
105.07016	0.7
107.04956	0.3
107.08598	0.5
109.02859	0.6
109.06509	0.2
109.10130	0.4
111.04429	1.4
111.08086	0.1
117.07059	0.1
118.06899	0.6
119.04940	2.3
119.08553	0.3
121.02862	1.1
121.06490	0.3
121.10129	0.3
122.03630	0.1
123.11716	0.1
125.06020	0.2
127.03898	0.8
129.01839	0.2
129.05487	0.2
131.04907	0.2
131.08601	0.2
132.04425	0.2
133.02847	7.1
133.10106	0.4
135.04427	0.1
135.11725	0.2
136.07507	0.2
137.05971	0.3
138.09074	0.2
141.07001	0.1
145.02834	1.2
145.04965	0.1
145.10135	0.1
147.04413	0.9
147.11676	0.2
148.41000	0.1
149.05899	0.1
149.09669	0.2
151.03911	1.5
152.11555	0.2
153.01828	4.7
153.05464	0.5
153.06586	0.1
159.09270	0.2
161.02341	6.8
161.05919	0.2
162.05487	0.3
163.03873	1.2
163.11143	0.2
165.05492	0.6
165.09111	0.2
167.07060	0.4
169.04977	0.2
171.02881	1.4
173.02448	0.2
173.05949	0.3
175.03873	0.8
177.05449	0.8
178.04945	0.4
179.07004	0.2
181.04912	0.1
183.04359	0.1
183.08038	0.2
187.03949	0.3
187.07492	0.3
192.35312	0.1
193.04961	18.4
201.05452	0.3
203.07027	0.3
205.04999	0.6
206.04500	0.8
207.04895	0.2
207.06517	1.0
213.09212	0.1
213.12389	0.3
217.01256	0.3
217.08611	0.2
219.02867	0.7
221.04381	0.3
225.05449	0.6
226.59880	0.1
229.04970	0.3
229.08612	0.5
231.10158	0.2
242.05592	0.2
243.06499	0.4
247.06065	0.1
253.08450	0.1
255.13802	0.3
256.14069	0.2
257.08081	0.3
259.09756	0.4
271.06000	100.0
272.06375	1.8
274.11957	0.2
275.09189	0.1
283.05994	0.3
285.07532	0.7
287.05481	0.4
300.15979	0.2
301.07184	0.2
303.08536	1.1
313.07059	0.2
313.12344	0.1
339.10754	6.2
356.58939	0.2
373.19022	0.4
381.10001	0.2
433.11264	1.8
562.87225	0.1
579.16815	0.4
695.04028	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2331
Annotation	CHEBI:65996
Peak:m/z	Relative Intensity
55.05504	0.4
63.02370	0.2
67.01858	0.2
67.05489	0.2
68.99799	0.2
69.03432	1.3
69.07065	0.1
70.06602	0.1
70.50137	0.3
70.50503	0.2
71.01342	0.3
71.05000	0.2
79.05493	0.2
79.46922	0.1
81.03402	0.3
81.07046	0.3
82.23158	0.1
83.04981	1.5
83.28725	0.1
85.02886	0.7
89.03917	1.5
91.05482	0.3
93.07037	0.3
95.04977	0.4
95.08611	0.2
97.02875	0.3
99.04446	0.2
103.05466	0.2
105.07038	0.3
107.08585	0.3
109.02835	0.2
109.06490	0.1
109.10187	0.1
111.04447	1.3
115.05421	0.2
117.03371	3.9
119.04934	0.2
119.08611	0.2
123.08084	0.1
125.09648	0.1
127.03925	0.1
129.05461	0.3
131.04900	0.2
133.06493	1.5
133.10130	0.2
134.03642	0.4
135.04419	1.1
137.05978	0.7
141.06970	0.2
145.02843	11.1
145.10077	0.1
146.03151	0.2
147.04437	0.2
149.05965	1.4
153.01820	2.5
155.08549	0.2
159.04414	0.9
161.05959	0.1
163.07559	0.2
163.14778	0.1
171.02863	1.0
177.05467	28.3
178.05826	0.5
183.08017	0.2
186.05525	0.4
191.07013	0.2
195.06589	0.1
201.05429	0.2
203.06976	0.2
205.04799	0.2
207.06540	0.4
211.07530	0.4
217.08574	0.6
227.06979	0.1
239.07065	0.3
242.05727	12.7
243.06186	0.4
243.10225	0.9
245.07999	0.2
259.09723	0.3
261.07413	0.1
269.07898	0.2
270.05222	10.9
271.05606	0.6
285.07559	100.0
286.07907	3.6
287.09192	0.7
297.07703	0.2
323.11249	6.6
324.11514	0.3
327.08713	0.3
395.11411	0.2
447.12836	1.4
668.96143	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	767.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
55.05501	0.6
56.20373	0.2
57.03424	0.5
59.79895	0.2
61.02912	0.2
62.57376	0.2
65.03926	0.3
67.05505	0.3
68.99800	0.3
69.03432	3.3
69.39238	0.4
69.39664	1.0
70.06586	1.1
71.04993	0.9
71.63688	0.2
72.08137	0.3
73.02928	1.7
75.29890	0.2
78.01887	0.2
79.05502	0.3
81.03422	6.0
81.07031	0.2
83.04984	1.2
84.08140	0.4
85.02908	7.4
86.09694	0.2
87.04453	0.4
87.25134	0.2
91.05492	0.3
92.02635	0.4
93.03407	0.7
95.04964	0.3
97.02898	4.6
99.04461	7.2
103.03951	2.6
107.04941	0.3
109.02887	11.4
110.03181	0.2
111.00806	0.3
111.04417	0.4
112.07619	0.3
115.03927	0.6
121.02853	1.1
123.04435	0.5
125.02419	0.2
126.03113	0.3
127.03922	18.1
129.10184	0.2
134.46199	0.2
135.04422	0.5
136.07626	0.2
137.02321	0.9
137.05952	0.2
139.03899	0.8
145.02956	0.2
145.04962	3.9
147.04376	0.4
149.02353	0.2
151.03917	4.6
151.05121	0.3
153.01825	5.6
157.04961	0.4
161.05928	0.2
163.03915	0.8
165.01881	0.7
165.05560	0.2
167.07060	0.3
169.04980	0.5
171.02951	0.3
175.03867	0.4
177.05473	0.7
187.06041	1.4
201.05515	0.6
203.03410	0.2
205.05272	0.3
205.07152	0.6
207.06583	0.8
211.06007	0.3
212.36092	0.2
217.04941	0.5
218.05611	0.2
227.09113	0.4
228.04201	0.7
229.05026	2.2
229.07014	0.4
231.02887	0.4
233.04375	0.3
235.05971	0.4
243.06506	0.3
245.04538	0.8
246.05162	1.3
253.07077	1.3
256.03818	0.2
257.04510	2.0
260.03067	0.3
261.07593	0.4
271.05939	0.6
271.08411	1.9
273.03851	1.2
274.04736	3.9
275.05417	0.3
284.03198	0.3
285.03952	3.5
287.05533	0.8
288.06165	0.3
302.04214	13.6
303.04626	0.5
315.05014	0.4
316.06018	0.4
317.06564	100.0
318.06873	2.5
329.06570	2.3
341.06494	1.3
343.04456	0.8
353.06439	0.4
355.08167	0.6
359.07626	7.7
369.05872	0.2
379.08170	0.7
383.07703	1.3
395.07623	0.4
407.07703	1.6
409.09064	0.2
415.12555	0.4
425.08664	3.9
437.08716	0.3
443.09427	0.9
449.08646	0.3
461.10709	0.8
467.09381	0.3
479.11948	2.0
485.10727	0.3
525.13843	0.5
527.11823	0.3
533.11176	0.3
543.15045	0.3
551.11914	0.5
561.16309	1.2
563.14520	0.9
569.12994	0.7
587.14105	1.4
605.15253	0.3
659.13312	0.2
677.15240	0.3
695.15497	0.2
713.16724	0.4
731.18451	0.4
767.28314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01866	1.0
55.05468	0.2
57.03385	0.7
61.02923	0.8
65.03921	0.2
66.11717	0.1
66.19665	0.1
67.05461	0.5
68.99785	0.7
69.03425	4.8
69.07048	0.1
69.35662	0.3
69.36064	0.7
70.06588	0.7
71.01299	0.1
71.04990	0.7
71.05295	0.2
73.02913	0.9
74.63757	0.1
79.05458	0.2
81.03416	6.0
81.07009	0.4
83.01265	0.2
83.04927	0.2
83.08580	0.1
85.02901	7.8
87.00825	3.5
88.64657	0.1
91.03899	0.3
91.05421	0.5
93.06996	0.4
95.04966	1.6
95.08559	0.2
97.02888	3.0
99.04458	1.8
101.02377	0.1
103.03899	0.1
105.01856	1.9
105.06977	0.4
107.04914	0.4
107.08550	0.1
109.02873	4.8
109.10178	0.1
111.04408	0.3
115.03900	0.2
117.01855	0.8
119.04917	0.2
119.08540	0.1
121.02859	4.5
121.03778	0.2
121.10083	0.2
123.04362	0.5
127.03912	6.7
129.01860	0.6
132.84195	0.1
133.02786	0.1
137.05997	0.2
145.04893	2.0
145.06393	0.3
145.10039	0.2
147.02826	0.4
147.04333	0.3
147.11658	0.2
151.03856	0.5
157.06465	0.1
159.02898	2.7
163.11110	0.2
167.07054	0.1
175.03835	0.4
175.07523	0.3
176.04593	0.2
177.05411	0.3
179.03389	0.9
185.05983	0.2
187.07492	0.2
191.03331	0.3
201.05478	1.8
203.03395	0.4
207.06488	0.3
213.03720	0.2
213.05521	0.2
215.06931	0.2
219.06502	0.6
231.04874	0.8
249.05919	0.1
261.09012	0.2
269.07986	0.2
271.05948	0.5
279.10294	0.2
283.05978	0.5
283.09045	0.1
287.05429	0.2
292.07275	1.2
295.05902	0.2
299.05533	1.1
307.09641	0.2
309.07590	0.2
311.05460	1.0
311.09100	0.4
319.37485	0.1
321.07632	0.5
323.05493	0.4
324.06204	0.3
325.07047	0.3
325.10532	0.2
335.09113	6.7
336.09705	0.3
337.07059	3.5
338.07794	3.1
346.25937	0.2
353.10159	100.0
354.10550	2.4
392.49152	0.1
395.11139	0.5
515.15460	45.1
516.15747	1.0
570.44305	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	760.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
53.20276	0.6
55.01867	1.1
60.04498	0.7
61.02916	0.7
69.03416	2.5
70.06599	3.6
71.04970	0.7
71.52525	0.5
71.52924	0.6
72.08143	0.7
79.05473	2.5
81.03422	9.2
81.07063	0.7
84.04489	0.8
84.08122	0.7
85.02903	7.9
86.09692	0.7
91.05474	1.7
95.04951	1.5
97.02892	3.1
102.04704	0.6
103.05460	2.1
105.03340	0.9
105.07007	0.7
107.04282	0.8
107.04954	7.6
109.02880	1.4
110.07145	0.6
115.05461	5.0
117.07012	10.6
119.08540	0.6
123.04419	2.3
123.34255	0.5
124.05179	1.3
127.03910	3.3
128.06133	0.8
128.07013	0.6
129.06998	2.9
129.10286	0.7
131.04929	1.6
131.08545	3.1
133.02779	0.6
133.06459	1.1
141.06976	1.8
143.04897	0.6
144.05695	1.7
145.02715	0.6
145.04988	2.1
145.06483	29.0
147.04401	1.5
147.08058	1.3
151.03903	1.1
152.04623	0.6
153.38620	0.6
155.06023	2.9
155.07088	0.9
156.05676	4.4
157.06476	1.7
159.08067	3.9
161.05975	2.5
162.07611	1.6
163.03947	0.7
167.07033	37.7
168.07376	1.5
173.05984	51.3
174.06482	1.5
175.03894	1.8
175.07538	1.5
177.05490	1.1
180.08658	2.7
181.04988	0.8
181.08574	1.0
184.05165	1.8
187.07510	4.4
190.06252	30.3
191.07002	2.4
193.08575	1.8
202.06210	3.4
203.06996	5.7
203.08609	0.9
204.07695	0.6
205.08595	100.0
206.04460	0.9
206.08981	2.3
207.06444	2.2
207.10143	0.7
209.08034	0.7
214.08620	0.7
215.07202	0.8
217.08594	36.4
218.09068	1.4
219.08078	1.7
219.10155	3.1
223.09662	3.1
225.12799	0.6
231.08087	0.8
235.07632	1.3
235.09647	36.9
236.09984	1.2
247.07565	1.2
247.09692	7.4
248.08369	1.8
251.10547	0.9
257.60315	0.5
259.07709	0.8
263.10617	0.9
264.07782	1.3
265.10706	56.3
266.11038	1.2
269.08127	1.0
271.09564	1.1
276.07788	0.7
279.10083	1.6
282.08844	0.9
287.05450	1.1
289.08878	0.6
290.09515	0.8
291.10156	1.1
293.08093	0.6
299.09091	0.9
303.93066	0.6
305.11566	0.6
307.09595	0.7
308.10580	0.9
315.08749	3.3
321.07693	0.8
323.12692	1.5
330.10919	6.6
331.11804	2.2
336.09448	0.6
337.10638	0.6
339.12189	1.2
351.12149	3.2
353.10074	0.9
368.12503	0.8
369.13092	0.9
371.15030	3.1
383.14874	12.6
401.15961	21.2
402.16312	0.7
634.03564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01865	0.4
55.05500	0.5
56.89451	0.1
57.03437	2.1
61.02922	0.6
65.03941	0.1
65.40708	0.1
67.01862	1.9
67.05505	0.2
68.99767	0.7
69.03425	3.2
70.06592	0.8
71.01354	0.3
71.04991	11.2
71.52811	0.2
73.02923	0.6
74.69991	0.1
75.04481	0.7
79.05487	0.2
81.03416	1.1
81.29889	0.1
83.01356	0.2
83.04980	1.2
84.08150	0.3
85.02901	23.2
85.06512	0.2
86.06068	0.2
86.09705	0.3
87.04466	0.7
91.03966	0.3
91.05467	0.7
93.07040	0.2
95.04968	0.5
97.02894	2.9
99.04459	0.5
103.03958	0.3
105.03391	0.3
107.04958	0.8
109.02874	1.1
111.00824	0.3
111.04429	0.8
116.07148	0.2
119.04937	2.8
120.08144	0.2
121.02847	0.5
121.06496	1.2
121.10154	0.1
123.04443	1.4
125.02350	0.4
127.03916	2.1
129.01837	0.4
129.05476	6.0
135.04422	0.6
136.07570	0.2
138.09171	0.2
145.04947	2.0
147.04408	15.5
147.06400	2.8
148.04774	0.4
151.03967	0.7
153.01819	47.6
154.02161	0.7
154.04922	0.3
163.03868	0.2
163.06010	0.3
165.01801	0.7
167.06993	0.1
171.02881	15.6
172.03207	0.2
175.03889	0.4
177.01831	0.5
177.05476	0.2
179.03380	1.4
182.04068	0.1
183.02908	0.5
189.05423	0.4
191.03430	1.0
195.02875	5.8
195.04651	0.3
196.03595	0.2
203.03435	0.4
207.02780	0.2
207.06531	0.6
211.08057	0.1
213.03847	0.3
217.05005	0.3
219.02905	1.9
221.04478	0.2
225.07544	0.2
231.02974	0.3
231.06622	0.3
245.04504	1.2
249.04085	0.2
261.04004	0.5
263.05539	1.5
273.07550	100.0
274.07901	2.2
281.06531	1.3
285.07654	0.9
287.05539	0.5
289.06287	0.2
297.07776	1.8
299.07739	0.2
309.12012	0.3
315.08600	4.6
339.08594	2.6
351.08405	0.2
365.10141	0.6
381.09482	0.5
383.11200	3.4
384.11392	0.2
399.10727	0.5
401.07495	0.2
401.12283	2.2
417.11850	1.4
419.13281	1.2
425.11847	0.2
435.12860	2.5
443.13358	0.2
459.12863	0.3
501.13568	0.2
527.15338	0.4
545.16278	0.2
563.16730	0.2
581.18866	0.2
699.88287	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	758.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.1
53.59082	1.9
55.05511	16.6
57.03424	5.8
61.02914	2.7
65.03918	3.4
65.82336	1.8
67.05503	74.9
69.03420	2.0
69.07067	14.6
71.04997	18.5
71.53055	2.7
79.05487	32.6
81.07054	93.8
83.04969	4.2
83.08607	10.8
85.02893	3.2
85.06526	7.4
91.05473	28.2
93.07046	43.7
95.04950	3.8
95.08602	29.7
97.06547	4.7
97.10151	2.7
105.07027	15.9
107.08601	23.9
109.06505	2.2
109.10147	13.5
117.07027	4.6
117.35432	1.9
119.08593	6.6
121.10152	15.6
123.11698	19.2
125.09582	2.0
131.08577	7.5
133.10133	14.3
134.10544	2.0
135.11699	7.8
145.10085	5.5
147.11693	4.1
149.13284	5.5
150.75821	1.7
151.11162	8.2
159.11694	6.9
173.13280	2.6
177.12782	2.9
183.13844	2.4
184.07321	3.7
187.13289	3.7
195.13857	2.3
269.17499	6.1
301.20053	17.2
335.25760	30.5
503.37311	100.0
504.37402	4.4
517.38715	5.1
529.38824	11.0
561.41516	94.2
562.41766	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	758.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
53.36838	2.6
55.01859	10.6
55.05512	30.2
57.03439	19.2
57.07065	3.1
61.02920	5.2
61.87653	2.2
65.03928	3.6
67.05506	100.0
68.05849	2.9
69.03417	5.4
69.07063	21.1
70.06576	2.7
71.04984	7.6
73.02901	2.7
77.03979	2.4
79.05492	73.6
81.03417	18.0
81.07053	83.0
83.01331	3.4
83.04973	23.9
83.08626	18.6
85.02911	14.6
85.06548	5.9
91.05483	50.1
93.07046	89.2
93.07949	4.2
95.04942	20.4
95.08607	60.3
97.02901	15.2
97.06543	14.1
97.10152	7.1
98.98125	2.4
99.04470	5.3
102.65806	2.7
104.26237	2.4
105.07015	36.5
107.04967	16.3
107.08590	49.9
109.06504	9.8
109.10153	32.0
111.04459	11.8
111.08083	6.1
115.05431	2.9
117.07027	15.7
119.08576	30.5
121.06488	5.7
121.10139	37.6
123.08060	8.3
123.11699	11.2
125.06002	3.4
125.09612	4.0
129.07024	5.8
131.08549	27.8
131.46516	2.3
133.06451	3.2
133.10146	26.2
135.08011	4.3
135.11678	30.8
137.09584	5.1
143.08531	4.9
145.06467	3.2
145.10126	33.5
147.08057	4.5
147.11655	11.2
149.09570	5.0
149.13237	9.5
151.11113	4.4
153.12743	7.5
154.97493	2.2
155.08565	4.9
157.10152	4.4
159.11664	8.6
161.13284	8.2
163.11186	32.8
163.14812	7.5
169.10172	2.8
170.46342	2.4
171.11626	3.6
173.09622	10.9
173.13261	9.1
175.14816	2.5
181.12190	7.1
182.88686	2.5
183.11674	3.6
185.13263	5.1
187.14824	5.1
191.10614	12.5
203.14372	2.5
209.11703	32.8
227.12756	15.6
243.20898	3.7
261.22150	18.8
273.21909	2.8
283.15396	53.2
301.16434	45.9
335.25812	77.3
336.26199	2.8
405.74515	2.4
433.31207	5.7
451.31949	9.2
469.33371	11.7
487.33478	4.9
525.35785	13.1
535.21606	2.6
543.36798	88.5
544.36987	5.2
561.37854	49.8
562.37970	2.9
621.40869	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	758.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.4
55.01870	8.1
55.05515	30.7
57.03450	18.4
57.07066	3.5
61.02920	7.2
62.96571	3.2
67.05508	100.0
69.03436	4.4
69.07077	25.4
71.04996	6.9
71.54198	3.2
79.05500	67.0
81.03423	5.7
81.07061	82.2
83.04975	15.5
83.08627	15.4
85.02908	8.8
85.06556	5.2
91.05474	60.1
93.07048	72.5
95.04983	17.5
95.08607	52.8
97.02894	14.4
97.06532	14.5
97.10176	7.5
105.07022	49.2
107.04958	13.8
107.08607	39.7
109.06512	5.5
109.10154	25.9
111.04458	12.4
111.08079	7.3
113.05995	4.1
117.07027	20.6
118.19538	3.5
119.08590	27.6
121.06544	5.0
121.10155	27.8
123.08066	5.2
123.11686	10.0
129.07028	11.2
131.08580	28.0
133.06499	3.4
133.10129	32.1
135.08073	4.7
135.11684	33.5
137.09615	5.2
143.08553	9.4
145.06456	5.6
145.10130	33.5
147.08015	4.8
147.11705	13.8
149.09624	7.4
149.13252	8.6
151.11232	7.9
155.08603	8.5
157.10138	7.4
159.08029	3.5
159.11676	17.0
161.09601	5.4
161.13260	9.4
163.11165	16.3
163.14851	3.4
165.09242	3.6
169.10141	3.5
171.11661	5.5
173.09653	7.8
173.11821	5.0
173.13310	9.0
175.11211	3.6
175.32083	3.5
181.12173	3.2
183.11679	3.4
184.07388	5.3
185.13254	2.9
187.14857	5.1
189.12741	3.7
191.10655	6.1
197.13225	3.7
209.11725	21.0
213.16425	3.4
227.12836	3.9
229.14513	5.4
243.13818	3.9
243.20845	4.8
253.14397	4.0
255.15814	5.9
259.20618	4.0
261.22244	11.2
273.22137	6.1
283.15417	63.8
289.21539	5.4
301.16406	5.7
315.23264	10.7
317.24860	3.5
335.25815	35.3
373.23444	4.6
433.31070	7.4
451.32355	16.6
469.32977	17.2
487.34116	6.5
507.34213	4.1
515.37158	5.5
525.35626	25.8
543.36859	93.2
544.36731	5.0
561.37891	32.0
617.96460	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	757.4238
Annotation	Nostocyclopeptide A1
Peak:m/z	Relative Intensity
53.65892	0.4
55.05497	0.9
56.05036	1.0
60.04526	1.6
67.05491	0.7
69.07066	0.5
70.06593	100.0
70.69515	1.4
71.06921	1.0
79.05499	0.6
80.04951	0.4
81.03422	0.9
81.07059	1.3
83.06128	2.5
84.04505	17.8
85.02953	0.7
86.09707	16.1
88.04041	0.5
91.05482	1.1
93.07056	0.7
95.04986	0.6
95.08616	0.7
96.08125	1.4
98.21499	0.5
101.06467	0.9
101.07138	15.4
103.05478	0.9
105.07046	1.0
108.08179	0.5
109.02879	0.7
112.07594	1.0
112.11222	0.8
113.07172	0.7
115.08725	0.7
119.04988	0.6
120.08105	30.4
121.06514	0.5
123.11707	0.4
127.03922	0.6
129.06644	1.7
131.04936	0.7
131.08165	1.1
137.06038	0.7
138.12801	2.9
141.06635	1.4
141.10242	0.8
146.09677	1.5
147.04369	0.5
148.07616	1.0
152.10762	0.5
155.94363	0.4
157.09833	0.8
157.13402	0.5
159.07704	1.2
163.03967	0.6
165.09036	1.1
165.10281	4.2
169.09853	0.6
169.13435	0.8
173.13008	0.4
175.07610	0.5
177.05458	0.6
183.11305	2.8
183.14899	0.9
185.09355	0.5
186.09215	0.6
188.14360	0.7
196.14487	3.3
197.12868	3.1
199.14510	0.4
201.12344	0.6
201.13974	0.7
207.06479	0.8
209.12814	0.6
209.16571	0.6
211.14540	0.8
214.15541	2.4
214.39990	0.6
215.25696	0.4
217.13362	30.1
218.13773	0.9
224.14059	0.7
225.12314	2.2
227.14093	0.8
238.11938	1.6
241.13402	0.5
242.08191	0.8
242.15044	2.8
243.15074	0.7
245.12863	12.0
254.14865	2.2
259.10825	0.9
262.15527	5.5
271.06064	0.8
272.16174	1.7
276.13437	3.5
293.16235	1.0
294.14606	1.2
311.17261	1.7
312.15793	0.8
314.15143	1.1
337.18781	0.5
344.19803	0.7
345.19342	1.3
357.24854	1.0
364.20050	0.5
371.20639	0.6
373.18738	23.4
374.19131	1.3
376.12430	0.5
382.20941	0.9
383.19403	1.6
385.18860	1.3
385.24515	1.0
385.96170	0.5
389.21744	0.8
390.21353	0.9
399.20334	0.6
400.22144	1.1
402.20795	0.5
425.17886	0.8
441.25436	0.6
458.27533	1.6
469.24408	0.4
485.31052	0.7
486.27127	6.1
496.28015	1.6
498.27246	0.7
513.24146	3.6
513.31152	0.8
516.27753	0.6
533.30731	0.8
555.29022	1.0
556.27533	0.6
573.30432	2.6
599.33612	0.5
609.30359	1.4
616.34583	1.5
626.32898	11.6
627.32172	2.2
644.33954	10.3
645.34454	1.0
712.40179	1.3
722.38086	0.8
729.43207	3.8
739.41205	2.7
740.40045	1.8
757.42413	6.3
758.43115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01863	0.7
55.05510	2.7
57.03439	0.6
59.04966	0.3
61.02921	0.4
62.18674	0.4
63.02356	0.4
67.01856	0.9
67.05494	1.6
67.56229	0.3
68.99800	0.5
69.03086	0.6
69.03430	8.7
69.07054	1.3
70.06596	2.5
71.01334	1.3
71.04999	2.4
71.53235	0.5
72.08146	0.6
73.02887	0.4
79.05464	1.2
81.03417	2.0
81.07053	2.9
83.04987	12.1
83.08615	0.7
84.08135	0.8
85.02910	5.8
86.09702	0.8
87.00800	0.4
89.03905	4.8
91.05482	2.9
93.07048	2.1
95.04949	1.8
95.08619	1.9
97.02887	1.2
99.04456	1.4
99.08191	0.4
103.05462	1.0
105.03400	0.9
105.07035	1.8
107.04948	1.0
107.08585	1.3
109.02891	1.7
109.06503	0.9
109.10148	1.1
111.04440	6.2
116.07093	1.1
117.03379	14.8
117.07022	0.5
119.04940	1.3
119.08553	0.8
120.08077	0.5
120.17719	0.4
121.02838	0.5
121.06503	1.3
121.10127	1.2
123.04390	0.6
123.08024	0.5
123.11679	0.6
125.06020	0.5
125.09694	0.4
127.03896	1.5
129.05486	1.6
129.06992	0.9
129.10295	0.4
131.04893	1.3
131.08553	0.7
133.02843	0.4
133.06470	0.6
133.10114	0.6
134.03607	1.4
135.04448	2.2
135.08049	0.7
135.11676	0.5
136.06163	0.9
137.05971	4.8
137.09624	0.4
139.46747	0.4
143.08582	0.7
145.02849	46.5
145.10123	1.0
146.03171	0.6
147.04413	3.4
147.08041	0.6
147.11710	0.6
147.31975	0.3
149.05989	5.5
151.03870	1.0
151.11211	0.5
153.01823	8.4
153.05411	0.6
154.02072	0.5
155.08548	1.1
157.06441	0.4
157.10107	0.5
159.04402	0.4
159.08069	0.8
159.11696	0.6
161.05998	1.3
162.05484	1.1
163.03909	1.1
163.07513	1.5
163.11151	0.4
165.01787	0.7
165.06984	0.4
167.07072	2.0
171.02902	5.9
171.07988	0.4
173.13287	0.4
175.03920	1.4
175.07573	0.6
177.05470	100.0
178.05873	2.4
179.03363	0.4
179.07074	0.5
181.05038	0.6
183.02837	0.8
183.08032	1.2
185.06027	0.8
186.05519	2.5
187.07605	0.5
187.84235	0.3
189.09045	0.7
191.07065	0.5
195.02931	3.0
195.04538	0.6
199.07698	0.4
201.05553	0.4
201.09067	0.8
203.07071	1.4
205.04987	0.7
207.06537	3.7
211.07547	1.6
213.87407	0.4
215.10681	0.5
217.04906	0.4
217.08627	1.5
219.02968	0.6
221.04530	0.5
225.09195	0.5
241.08508	0.6
243.10193	3.6
245.04480	0.9
255.13834	0.5
259.09668	0.9
261.11288	1.2
263.05490	0.5
269.08115	0.7
271.05988	4.3
272.06320	2.6
273.07544	6.6
285.07654	0.8
287.05508	1.3
287.09119	3.9
297.07547	0.6
305.10138	0.4
315.08597	0.7
323.11264	30.2
324.11850	1.0
351.08423	0.4
365.10123	0.6
371.14911	0.6
383.11310	0.5
431.03354	0.4
458.08508	0.4
656.00781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2178
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03932	0.3
55.01857	0.2
55.05492	0.2
55.53640	0.1
57.03194	0.1
57.03434	1.0
61.02921	0.6
65.03956	0.1
67.15999	0.1
68.99782	0.4
69.03084	0.1
69.03424	1.4
69.74279	0.2
69.74690	0.2
70.06590	0.1
71.04599	0.2
71.04990	3.0
73.02890	0.3
75.04486	0.4
75.04852	0.1
75.05743	0.1
79.05481	0.2
81.03412	0.9
83.01337	0.1
83.04984	0.5
85.02901	9.5
87.04459	0.2
91.03983	0.2
91.05467	0.1
95.04937	0.1
97.02886	1.7
99.04445	0.3
103.03915	0.1
105.03385	0.2
107.04946	0.3
109.02898	0.7
111.00808	0.5
111.04417	0.5
115.03924	0.1
117.05492	0.1
119.04933	0.2
121.02859	3.6
127.03918	1.3
129.05466	2.4
129.06934	0.1
133.02840	0.5
135.04375	0.2
136.40973	0.1
137.02303	0.8
141.06911	0.1
145.04944	0.8
145.06552	0.1
147.04431	0.6
147.06520	0.9
151.03893	0.1
153.00566	0.2
153.01816	3.8
157.06488	0.3
161.05998	0.2
163.03722	0.1
163.06084	0.1
165.01822	1.7
171.04402	0.2
175.03932	0.1
183.02907	0.7
185.05893	0.5
189.05499	0.2
191.03328	0.1
197.05983	0.1
199.03828	0.1
201.05267	0.1
203.03442	0.1
203.07010	0.2
213.05464	1.3
217.04874	0.1
219.03043	0.1
219.06616	0.1
229.04971	0.1
231.06421	0.7
241.04918	1.1
243.06473	0.2
258.05286	0.9
259.06018	0.4
269.04361	0.3
271.05991	6.4
272.06317	0.2
283.05850	0.2
287.05475	100.0
288.05795	3.1
294.04990	0.1
295.06036	0.7
296.06497	0.1
297.07599	0.1
299.05527	0.2
300.06134	0.1
307.05923	0.4
308.06793	0.2
309.07535	0.2
311.05252	0.1
313.07120	0.3
321.07639	0.3
322.08307	0.1
325.06961	1.0
329.06558	0.4
335.09186	0.1
337.06992	0.7
349.07059	0.2
351.08603	0.3
353.06540	0.1
355.08118	0.3
361.07025	0.2
365.10281	0.1
367.08157	0.1
375.08652	0.2
379.07986	0.4
391.08032	0.3
403.08228	0.2
409.08997	0.3
421.09073	0.3
427.10141	0.3
431.09280	0.2
433.11267	1.8
439.10233	0.3
449.10794	3.0
450.10815	0.1
457.11203	1.2
475.12372	0.3
481.11313	0.3
499.12448	0.1
511.12198	0.2
523.12640	0.1
529.12921	0.1
541.13385	0.2
559.14392	0.2
577.15234	0.2
595.16736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2178
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03917	0.3
55.05484	0.2
56.01440	0.1
57.03433	1.3
57.49948	0.1
61.02904	0.3
68.99797	0.3
69.03427	1.1
69.46836	1.2
71.04992	8.0
73.02897	0.3
75.04465	0.4
81.03383	0.7
83.04941	0.4
85.02905	11.5
86.03238	0.2
87.04436	0.3
88.24894	0.1
97.02914	0.9
99.04436	0.3
105.03381	0.2
109.02827	0.3
111.00766	0.4
121.02858	1.6
122.90990	0.2
127.03886	0.8
129.05487	2.0
133.02827	0.3
137.02325	0.4
145.04892	0.4
147.04337	0.3
147.06482	0.7
153.01836	2.0
163.68642	0.2
165.01859	0.8
183.02876	0.5
185.05884	0.2
197.05956	0.2
213.05478	0.6
231.06450	0.3
231.64804	0.2
241.04947	0.6
258.05243	0.6
259.05984	0.2
287.05493	100.0
288.05817	3.5
329.06509	0.5
331.06277	0.2
449.10806	19.9
450.11108	1.2
450.16772	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2179
Annotation	Kaempferol 3-glucosyl-(1->2)-[glucosyl-(1->3)-rhamnoside]
Peak:m/z	Relative Intensity
53.03957	0.9
55.01857	1.9
57.03422	1.9
60.04518	0.5
61.02924	1.1
65.03945	0.7
68.99792	0.7
69.03426	5.7
70.06568	2.0
70.40476	1.5
71.04965	1.6
72.08078	0.6
73.02899	1.2
79.40137	0.6
81.03423	3.2
83.01332	0.7
84.08114	1.0
85.02902	14.4
87.04484	0.6
91.03962	0.5
91.05489	0.8
95.04958	0.8
97.02888	4.8
103.03910	0.6
107.04963	0.7
109.02888	2.7
109.03514	0.5
111.04491	0.7
119.04926	2.6
121.02863	7.9
127.03893	2.6
129.05481	0.7
137.02357	0.7
145.02844	1.8
145.04968	1.0
147.04414	0.8
149.02361	1.3
153.01758	1.2
158.56078	0.6
163.03915	1.4
165.01839	5.3
167.03380	2.9
177.01857	0.7
177.05537	0.7
183.02893	2.9
187.03958	1.0
191.03387	1.4
195.02960	2.9
207.02740	0.8
229.04871	0.6
233.04498	0.7
239.06963	0.6
261.03839	0.9
267.06528	11.3
270.05240	3.0
271.06003	13.4
279.06424	0.9
281.08051	6.8
283.06000	91.8
284.06717	11.6
285.07474	0.9
287.05487	41.3
288.05859	1.1
293.08002	1.2
294.05151	1.7
295.06033	15.5
295.09412	1.6
296.06479	1.5
297.04276	1.0
297.07666	2.9
305.08081	1.8
307.06036	4.3
308.06757	3.1
309.03946	1.8
309.07529	26.0
311.05621	1.2
313.07040	100.0
314.07373	3.6
321.07666	5.2
323.05692	0.7
323.09125	14.0
324.09494	0.9
325.07047	7.0
333.07544	3.3
335.05460	1.0
335.09155	1.1
337.07053	41.2
338.07394	1.6
349.07040	12.2
351.08640	4.1
355.08005	2.9
361.07001	10.3
361.11227	0.7
362.07266	0.9
365.10181	0.7
367.08115	6.7
375.08673	1.1
379.08118	19.0
391.07986	1.7
396.89438	0.7
397.09134	12.9
403.08105	1.7
404.78082	0.7
407.62637	0.6
409.09079	2.6
415.10211	12.2
421.08887	1.1
427.09903	1.4
433.11276	3.9
439.10281	1.2
445.11426	6.3
449.10806	5.0
457.11310	8.0
475.12323	33.6
476.12991	0.9
481.11148	2.1
485.97626	0.6
499.12384	14.4
511.12173	2.4
523.12976	1.2
529.13440	19.7
530.13434	0.7
541.13336	8.3
559.14435	15.2
577.15454	39.5
578.15710	1.1
595.16534	30.6
596.16620	0.8
618.51605	0.6
619.16382	0.7
637.17334	0.8
757.21338	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03445	3.0
61.02919	0.8
69.03410	2.4
69.18989	6.7
70.06568	1.2
70.48530	0.6
71.04996	6.7
73.02930	0.7
81.03405	2.5
83.04958	0.8
85.02902	16.3
97.02879	2.7
97.25772	0.6
98.21548	1.5
98.25558	0.6
99.04436	1.2
103.03929	1.5
107.04956	0.9
109.02889	2.2
111.04445	0.7
119.04926	2.7
121.02002	1.0
121.02859	15.8
127.03876	1.7
129.05472	2.2
145.02802	2.0
145.05011	0.9
145.06459	1.0
147.04362	0.6
153.01799	2.4
163.03899	0.8
165.01805	1.2
176.00961	1.0
183.02795	0.9
185.05856	0.7
189.01874	2.0
191.03403	2.4
195.02881	2.0
203.03406	3.7
205.04984	0.8
207.02950	4.0
213.05531	1.1
215.03407	0.9
217.04900	1.9
219.02905	2.6
221.04442	1.6
229.04912	2.7
233.04343	0.7
239.03339	0.8
241.04921	1.0
243.02887	0.7
251.06883	0.7
255.02925	1.1
257.04471	1.3
258.05243	1.0
268.07254	1.5
271.06064	4.5
273.03867	0.9
279.06561	1.8
280.07092	1.0
281.05170	0.7
281.07996	3.7
283.06006	8.1
284.06787	1.5
285.03973	1.3
287.05487	100.0
288.05829	2.7
291.06531	0.9
293.08075	1.8
294.05225	10.2
295.06009	33.1
295.09293	1.1
296.06714	4.7
297.07620	4.9
307.06015	25.3
307.09604	1.5
308.06744	8.5
309.07495	7.6
313.07050	6.3
319.06100	3.6
320.06799	2.4
321.07547	13.5
322.08313	6.3
323.05594	2.2
323.09137	2.9
325.07053	63.0
326.07458	1.8
329.08002	1.0
333.07468	3.2
335.05457	1.0
335.09137	6.8
336.06436	1.4
337.07043	40.2
338.07169	1.1
339.08508	1.3
345.07538	1.7
347.09213	5.4
349.07059	20.1
350.07587	1.3
351.08627	14.0
353.06601	1.3
355.08121	10.3
357.07434	1.5
361.07080	7.8
361.11115	0.9
363.08578	3.1
365.10266	7.1
367.08182	3.1
373.07040	2.3
375.04633	0.8
375.08664	6.5
379.08112	31.0
380.08447	0.9
385.07123	2.2
387.08444	0.9
389.10147	2.0
391.08099	16.4
392.08514	1.0
393.09741	1.6
397.09476	1.1
399.08600	0.9
401.10507	0.9
403.08069	13.7
404.08362	0.8
409.09207	10.3
413.10651	0.9
415.08405	2.1
417.09589	2.2
421.09064	10.6
427.10168	4.0
433.10675	2.0
439.10214	8.8
441.10223	0.7
445.09335	3.1
449.10822	16.9
457.11343	15.5
463.10095	2.9
475.11908	3.2
476.20715	0.8
481.11319	5.4
487.11987	4.8
499.12064	4.1
505.11395	2.0
511.12134	3.3
517.13434	6.8
523.12250	4.8
541.13483	13.5
553.13214	1.5
559.14301	4.1
565.13525	1.0
571.14398	11.3
577.15430	3.8
583.14221	5.1
589.15540	11.2
595.16357	1.1
601.15424	9.5
607.15668	1.1
619.16534	41.4
620.16730	2.3
637.17737	7.6
643.16486	7.2
661.17432	7.2
673.17487	8.2
685.17383	5.8
691.18469	2.2
703.18701	8.2
721.19421	8.2
739.20892	4.9
757.20319	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.3
55.05510	13.2
57.03436	8.2
57.07062	0.7
59.04995	1.1
61.02922	0.9
65.03951	0.9
65.43672	0.6
67.05502	17.4
69.03428	4.9
69.07075	5.5
69.88799	3.4
70.06584	2.6
71.04993	3.6
73.02904	0.8
73.06567	0.6
77.03901	0.6
79.05487	19.2
81.03416	43.0
81.06586	1.1
81.07055	19.8
83.04979	6.1
83.08618	14.6
84.08147	1.5
85.02906	3.6
85.06522	2.0
86.09695	1.3
87.04440	0.8
91.05476	18.0
93.06481	1.3
93.07045	16.6
95.04963	22.7
95.08602	8.5
96.08878	0.7
97.02905	3.1
97.06527	2.8
97.10175	13.1
98.20873	0.8
99.04460	1.0
105.03362	1.3
105.07027	11.6
107.04955	12.4
107.08596	12.0
108.08149	0.8
109.02891	1.8
109.06512	8.4
109.10140	8.1
111.04438	2.7
111.08072	4.7
113.05970	0.8
115.03994	0.7
115.05463	1.6
117.07010	5.3
119.04949	1.8
119.08578	11.1
120.08057	0.8
121.02854	0.9
121.06495	10.4
121.10139	7.8
123.04469	1.0
123.08073	5.2
123.11694	1.5
125.06021	0.9
125.09636	14.6
126.07959	0.7
127.03921	1.7
128.06223	0.8
129.07008	6.8
131.04958	2.3
131.08559	10.4
133.06520	4.4
133.10132	7.3
135.04433	1.3
135.08034	5.3
135.11679	2.4
137.05962	2.6
137.09595	2.2
139.11209	0.7
141.06990	1.9
142.07767	1.9
143.08553	2.5
145.04964	1.0
145.06479	5.4
145.10124	5.8
147.04402	2.7
147.08054	4.7
147.11690	6.1
149.06013	1.1
149.09641	4.2
149.13243	1.1
151.11197	1.0
153.09113	2.5
153.12677	1.0
155.08548	1.7
157.06429	1.1
157.10126	6.5
159.08041	2.2
159.11697	2.3
161.05968	2.0
161.09650	1.5
161.13342	0.7
163.11153	3.9
165.09094	5.1
165.12813	0.9
167.07066	1.2
167.08536	1.1
167.10689	0.9
169.10114	0.7
171.08006	1.2
171.11667	2.0
173.09621	2.2
173.13177	1.4
175.03912	1.8
175.07510	0.7
175.11162	6.2
177.12781	1.2
179.08498	0.7
181.05005	0.8
181.10092	0.8
183.08109	0.6
185.09602	1.4
185.13202	1.5
187.07510	0.6
187.11156	1.4
187.14845	1.7
189.05579	0.7
189.09309	1.3
189.11220	5.7
189.12735	1.5
191.07045	0.8
191.14294	1.5
193.12245	14.0
193.51666	0.6
195.11694	1.5
195.13463	0.6
197.09581	1.0
197.13229	2.2
197.15251	0.7
199.11217	1.6
199.13159	1.0
205.12206	1.9
207.06506	2.4
211.13261	1.8
213.12715	1.2
215.14368	2.3
217.12143	1.0
219.13826	2.5
223.11230	0.9
223.13214	1.5
227.12761	2.1
227.14598	0.9
231.13786	1.5
233.15338	3.8
235.13315	0.8
237.12766	1.6
237.14989	0.7
239.14337	0.7
241.12173	0.8
245.15456	1.1
249.14847	1.8
255.13863	2.0
259.13205	1.3
261.14850	0.7
267.15894	39.7
268.16330	0.7
271.05920	1.1
271.17078	0.9
273.14752	6.2
275.16733	0.7
285.07544	1.9
287.05386	1.6
293.17484	1.3
299.16461	0.7
317.15945	0.9
321.21930	0.8
339.23331	2.1
349.21552	5.6
357.24219	2.2
367.22659	15.3
385.23706	22.3
385.28497	1.4
386.24084	1.2
403.24866	8.8
404.24835	0.8
405.24066	1.0
441.26334	10.4
459.27402	100.0
460.27673	4.7
477.28461	90.2
478.28439	3.7
490.32849	1.0
491.29852	12.5
501.28571	2.5
509.31223	5.2
541.33789	1.0
543.76727	0.8
567.29462	1.6
756.41644	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45127	0.5
61.81938	0.5
67.05503	0.8
68.31576	0.5
69.03419	1.0
69.07094	0.4
70.06567	1.3
70.32129	1.9
70.58714	0.4
71.04993	0.8
79.05486	0.7
81.03406	0.7
85.02890	1.2
91.05473	0.7
93.07043	1.1
94.06585	0.5
95.04949	0.7
95.07355	0.4
96.08126	1.1
98.20810	0.6
105.06983	0.6
108.08139	0.9
108.85111	0.5
109.02894	0.6
110.09665	1.2
120.08119	1.2
127.03918	1.4
137.06013	1.0
138.09158	3.2
146.09651	2.0
147.04407	0.7
147.46873	0.6
148.07603	0.5
159.07986	0.5
166.08681	2.6
167.07043	1.5
174.09148	3.1
175.03937	0.7
176.10800	0.5
177.05396	0.6
178.05087	0.8
189.09093	0.5
192.10193	0.9
207.06671	0.9
209.15340	0.7
213.06635	1.9
220.09671	4.4
223.08690	1.8
225.10231	2.7
226.07207	0.7
226.10881	0.6
227.08121	1.3
234.11247	1.2
237.10280	0.7
239.08107	0.9
239.11813	0.6
240.08943	0.7
241.06270	0.6
243.11293	1.3
247.34772	0.5
251.08107	4.3
252.08878	2.5
253.09714	5.6
254.10500	1.0
255.07646	0.9
256.08316	0.6
263.08295	1.2
265.06348	0.5
265.09729	1.2
266.07034	0.6
267.07724	1.5
267.11313	7.3
268.11871	0.6
269.09119	0.5
269.12836	0.9
271.06012	2.7
279.07642	15.2
280.08279	3.2
281.09186	13.7
282.10046	1.2
283.07120	0.9
285.07721	1.0
286.04706	0.8
293.09326	1.2
294.10007	1.4
295.07590	0.5
295.10770	13.1
296.11429	2.9
297.08636	1.3
298.09186	0.8
299.10327	0.6
301.07068	9.6
302.07385	0.7
307.07205	3.1
308.07816	1.0
309.08716	8.0
310.09262	2.6
313.11749	1.4
315.09778	11.8
321.08514	0.8
323.10181	2.5
324.11057	0.8
325.08066	1.9
325.11884	5.1
326.08942	1.0
327.09680	0.8
335.06610	0.7
339.09863	2.0
340.10443	0.6
341.11301	20.6
342.11771	0.8
347.12375	2.9
350.09106	0.9
351.09915	1.5
353.07742	1.8
355.13217	0.8
368.03180	0.7
368.05273	1.1
368.10034	35.2
369.10803	62.2
370.11255	2.5
381.10712	0.9
387.11813	10.0
387.16367	0.7
398.14679	0.5
399.12213	0.8
400.12659	7.6
401.13428	38.7
402.13919	2.1
441.76376	0.6
452.59882	0.6
476.14590	1.3
488.17822	0.6
494.16006	0.6
502.15793	1.3
506.19125	1.3
508.17249	1.1
526.18115	0.9
534.18658	10.5
538.21637	2.1
552.19836	0.9
566.21338	100.0
567.21637	5.9
568.22809	1.6
598.23834	1.8
648.51636	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
53.65328	0.3
57.03426	0.8
61.02907	0.3
67.05487	0.4
68.09927	0.3
69.03413	0.9
69.07082	0.4
70.06593	0.7
70.86756	0.5
70.87096	0.7
71.04990	2.3
72.08166	0.4
75.04468	0.4
79.05476	0.9
81.03416	1.1
81.07034	0.7
83.04964	0.8
85.02900	5.1
91.05469	0.9
93.07037	1.3
94.06569	0.7
95.04961	0.7
95.07320	0.6
95.08598	0.4
96.08114	1.3
97.02883	1.0
99.04428	0.3
103.05457	0.5
105.07018	0.8
107.08596	0.4
108.08106	1.7
109.02903	0.7
110.07137	0.3
110.09690	2.2
111.04432	0.6
113.16063	0.3
119.04877	0.6
119.08562	0.4
119.42734	0.3
120.08112	8.0
121.02879	0.4
121.08897	0.7
122.09685	0.7
127.03910	0.8
129.05467	1.1
131.07317	1.5
131.23338	0.3
133.06505	0.9
135.04457	0.3
136.07591	0.9
137.06035	0.4
138.09137	5.3
145.04999	0.4
146.09656	3.3
146.57314	0.3
147.04410	0.6
147.06509	0.7
148.07605	0.7
153.01830	1.2
153.05667	0.4
162.09116	0.4
164.10547	0.4
166.08656	1.5
171.02917	0.5
174.09132	4.9
175.03856	0.6
177.05504	0.7
182.08188	0.4
192.10156	1.3
198.07736	0.5
199.08615	1.0
207.06453	0.9
213.06633	2.5
220.09688	7.2
226.07283	0.8
227.08133	3.0
230.06897	0.4
234.11234	2.7
236.09171	1.8
239.08289	0.4
241.06067	0.7
241.09651	1.1
242.05717	7.8
243.11198	2.4
252.08968	0.4
253.09692	0.5
255.07713	0.7
255.13988	0.3
256.08478	0.6
265.09897	0.4
267.11234	0.7
269.09140	1.2
270.05240	9.1
270.09732	0.5
271.05856	0.9
271.10709	0.8
273.09213	0.4
279.07693	0.6
280.08398	0.6
281.09125	0.5
285.07565	100.0
286.07916	5.0
295.10782	1.5
297.08398	1.2
300.07278	0.5
301.11868	0.4
309.08377	0.4
315.09738	19.7
316.10199	0.9
323.10287	0.4
325.11838	0.6
327.08823	0.9
328.62527	0.4
331.12994	0.5
341.11261	0.9
347.12415	2.3
351.09644	0.7
368.10046	0.9
369.10876	5.6
387.12076	0.4
401.13495	0.7
416.12274	0.5
430.13885	0.9
447.12711	1.2
476.14532	2.2
478.19641	0.5
488.17993	0.7
490.19769	0.5
493.19415	0.5
494.15436	0.6
506.19028	1.0
508.17184	1.1
534.18567	1.2
538.21490	1.5
566.21338	36.0
567.21454	2.3
593.18909	2.9
598.23834	4.7
613.22418	0.6
627.24689	1.8
633.19971	0.3
641.22076	0.5
645.25146	1.0
655.23944	4.1
656.24689	0.4
659.26843	2.2
663.26416	0.5
673.25018	2.2
677.28046	2.2
687.26477	0.9
705.27435	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	755.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.05509	1.6
57.03430	0.7
61.02922	0.8
65.29694	0.8
67.05518	1.1
69.03407	1.9
70.06587	3.4
71.04986	3.7
71.52950	1.0
71.53326	0.9
72.08171	1.3
79.05492	1.3
80.05028	0.8
81.03416	2.6
81.07059	2.2
83.04993	1.2
84.08157	1.1
85.02919	5.6
85.06538	0.9
86.09716	1.2
91.05490	3.1
93.05819	0.9
93.07058	2.0
94.06600	1.7
95.04998	1.4
95.08609	1.5
97.02908	2.3
97.06526	0.9
98.02267	0.8
99.04454	1.6
105.07010	2.7
106.06619	0.9
107.04929	1.9
107.08618	1.4
108.08118	12.4
109.02889	3.4
109.06555	0.8
109.10173	1.7
110.06065	0.9
110.09732	0.9
111.04423	0.8
115.05540	0.8
118.06522	1.1
119.04954	2.2
119.08582	1.3
120.08140	2.6
121.02802	1.0
121.06545	1.4
122.06056	1.9
123.04486	0.8
124.07574	1.5
125.06127	0.8
127.03927	2.4
130.06607	1.0
131.07301	1.5
132.08105	1.7
133.06512	1.5
133.10165	1.4
134.06050	1.1
136.07593	10.4
137.05975	3.8
138.09187	1.4
144.08078	7.1
145.02826	1.4
145.08900	1.9
146.06013	1.4
146.09631	2.9
147.04436	3.2
147.06766	3.4
148.07597	2.4
150.09172	1.3
151.03914	0.9
152.07117	3.1
153.01826	1.6
158.05971	1.8
158.08443	1.0
158.09726	2.4
159.09138	1.4
160.07573	2.1
162.05582	1.2
162.09183	2.8
163.11227	0.9
164.07037	2.3
166.08691	3.9
167.07138	1.2
170.08401	0.9
172.07617	2.9
174.09143	2.7
175.03952	2.6
176.07031	1.1
176.10751	1.8
177.05466	2.8
178.08658	0.9
181.04901	1.5
183.09209	1.1
185.10774	1.0
186.09193	1.0
187.06348	2.0
188.07111	1.6
194.08154	2.6
196.09763	2.3
199.08733	3.4
200.07007	1.1
201.10318	2.3
202.04915	1.4
202.08623	2.4
203.11829	1.1
204.10255	3.1
207.06557	5.0
209.10747	1.5
211.08672	1.3
212.09340	1.1
213.06731	1.0
213.10242	2.9
215.08252	1.0
215.11797	1.1
218.08112	2.3
219.11288	1.5
220.09657	1.2
222.11368	0.9
223.08641	1.0
225.10225	1.4
226.10991	1.6
227.08269	1.4
227.11908	1.5
229.09703	1.2
231.11346	1.5
237.10233	1.9
239.11734	1.3
240.08939	1.0
241.09702	3.1
242.05742	10.1
242.07988	1.3
243.11366	4.0
244.09770	1.0
245.12956	1.2
246.07684	0.9
248.09218	10.6
249.10159	1.6
251.08186	0.9
253.09744	2.5
254.10315	1.2
255.11267	2.7
257.09280	1.7
257.12772	0.9
259.10812	6.2
261.06326	3.2
262.07111	3.6
262.10004	0.7
263.08005	4.6
264.08899	1.0
265.09717	2.2
267.11310	1.5
269.09375	1.7
270.05225	10.0
271.06055	5.6
271.10678	1.5
274.13168	1.5
275.10199	1.2
276.08688	16.4
279.07489	2.5
280.08475	1.6
281.09183	1.9
283.10754	2.4
284.11664	1.2
285.07571	100.0
285.12601	4.3
286.07977	4.9
287.05276	1.9
287.10306	2.0
287.13837	1.4
288.08658	2.1
289.11752	0.9
293.09207	3.4
294.09708	1.0
295.10715	1.7
299.10315	0.9
301.07413	0.9
301.12006	1.4
302.12558	2.1
303.10083	1.5
303.13284	5.9
306.09979	1.1
311.10220	4.5
313.11887	2.6
315.13336	6.8
316.08090	3.6
317.11551	1.0
321.08572	1.7
325.11893	1.8
327.09244	1.0
327.13541	1.0
328.11072	1.0
329.11319	0.9
330.12158	0.7
333.10809	0.9
339.09628	5.9
341.11407	1.5
343.13016	3.1
344.13724	0.9
345.14444	1.0
346.15320	1.0
351.66055	0.8
353.11365	1.4
355.12933	2.3
356.13623	1.1
357.10596	1.1
358.15591	1.0
368.13971	0.9
370.15628	0.8
371.12311	4.1
372.13080	1.8
381.10751	2.4
386.15015	1.5
388.16510	1.4
398.14896	0.9
402.14343	1.2
404.16296	1.1
408.23752	0.8
413.13303	0.9
414.14410	1.4
416.16077	2.1
418.17801	1.2
420.15570	1.4
428.16418	1.0
432.15222	1.4
442.13940	0.8
444.15335	1.3
445.16196	1.0
446.16916	1.9
447.12653	4.0
462.20126	1.4
464.18329	1.1
474.16867	2.4
478.20093	3.8
488.18234	1.9
490.20041	1.4
491.16736	1.0
502.16177	1.6
504.17761	1.2
505.17233	1.0
506.19101	6.8
534.18793	23.8
538.21472	1.4
548.20123	1.0
552.19611	2.6
566.21350	77.3
567.21423	3.3
573.23120	1.2
584.22369	6.3
595.21558	1.0
598.23975	67.5
599.24084	3.1
605.20135	0.9
609.18433	3.6
613.22760	1.3
623.21155	3.0
641.22424	17.7
642.22333	0.9
645.24957	2.7
655.23529	2.5
673.25092	11.8
674.24908	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26029	1.0
55.01871	1.6
57.52925	0.9
66.77977	0.8
67.05489	1.6
69.03421	2.5
69.07056	1.1
70.06592	5.3
71.05005	1.1
71.52277	1.4
72.08147	1.0
79.05457	2.6
81.03402	3.3
81.07050	2.7
83.04992	1.1
85.02887	4.6
85.06572	0.9
86.06028	0.9
86.09708	1.5
91.05477	4.1
93.07056	2.4
95.04958	1.5
95.08599	2.8
97.02862	1.4
97.06506	0.9
99.04455	1.5
105.07035	2.6
107.08596	1.2
109.02899	2.8
110.06046	0.9
110.09688	2.6
111.04442	1.2
112.04674	0.9
119.04933	3.4
119.08583	1.2
120.08100	1.4
121.02860	2.1
121.10112	1.4
124.03992	1.0
127.03902	2.9
133.06447	1.1
133.10165	1.2
136.07552	1.2
137.05904	1.1
138.05519	1.0
138.09166	4.8
146.09624	3.1
147.04416	4.2
162.05486	1.2
164.07037	1.0
165.09090	2.1
166.08633	4.8
167.07011	2.2
174.09148	2.8
175.03886	3.8
177.05507	3.9
181.04919	1.2
181.85161	1.0
182.08076	2.7
189.09076	1.0
192.10158	1.1
200.09163	1.1
204.06624	1.2
207.06509	8.2
212.09334	1.1
213.06541	1.7
220.09731	6.9
223.08685	2.7
224.09329	2.9
225.10341	2.7
227.08093	1.7
231.10153	1.1
234.11505	1.0
237.06691	1.3
239.11713	1.8
241.09846	2.0
242.10175	2.0
243.11311	1.8
251.08163	8.0
252.08984	4.3
253.09744	6.6
255.13806	1.4
265.06247	1.0
265.09619	1.7
267.07660	1.8
267.11264	8.2
268.08359	1.0
269.09238	1.4
269.12146	1.2
271.05969	7.2
272.06152	1.3
279.07657	16.4
280.08374	4.6
281.09198	17.2
282.09885	1.6
285.07626	3.9
287.05508	2.5
294.09753	1.6
295.10770	14.2
296.11557	3.6
297.08279	2.9
297.11972	1.3
301.07019	1.3
307.07117	3.7
308.07816	1.3
309.08646	7.7
310.09341	2.6
313.11813	2.2
315.09711	12.7
319.69974	1.0
322.09378	1.5
323.10202	3.4
324.11127	2.3
325.08167	2.9
325.11813	6.1
326.08920	1.3
327.09311	2.1
335.06573	2.4
339.09714	1.9
340.10391	1.5
341.07584	1.8
341.11359	21.5
342.11795	1.3
347.12430	5.3
351.09799	1.4
353.07700	2.1
355.12778	1.5
368.10025	38.3
369.10803	66.0
370.11151	3.9
387.11853	9.3
400.12625	10.1
401.13409	44.2
402.14130	2.1
429.63916	1.1
447.12872	1.2
476.14340	1.7
494.15558	1.2
502.16043	1.8
506.18997	1.4
508.17325	2.2
526.18182	2.2
534.18573	11.7
538.21490	1.8
552.19415	1.2
566.21338	100.0
567.21674	5.0
598.23236	1.8
755.44006	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.239
Annotation	Acacetin 7-O-[2'''-O-rhamnosyl-2''-O-glucosylglucoside
Peak:m/z	Relative Intensity
53.03924	0.1
55.00329	0.1
55.05503	0.3
57.03420	0.4
60.04528	0.1
61.02916	0.2
65.03940	0.1
67.05495	0.3
68.99785	0.1
69.03427	0.8
69.07059	0.2
70.06594	0.6
71.01360	0.1
71.04993	2.0
72.08135	0.1
73.02891	0.1
79.05482	0.2
81.03410	0.4
81.07053	0.5
83.04979	0.2
83.08569	0.1
84.08138	0.3
85.02902	3.7
85.06503	0.2
87.04438	0.2
91.05474	0.4
93.07036	0.3
94.06365	0.1
95.04939	0.3
95.08604	0.3
97.02895	0.5
97.06525	0.2
98.21533	0.2
99.04445	0.2
105.03378	0.2
105.07002	0.3
107.04980	0.1
107.08577	0.3
108.08087	0.1
109.02876	0.4
109.06498	0.1
109.10143	0.2
111.04420	0.2
115.05510	0.1
119.04921	0.3
119.08599	0.2
120.08073	0.1
121.06479	0.1
121.10139	0.2
123.11677	0.2
124.07613	0.1
125.09579	0.1
127.03902	0.7
129.05457	0.7
129.06967	0.1
131.08563	0.2
133.06503	0.8
133.10130	0.2
134.05931	0.1
135.04393	0.4
135.07980	0.2
136.06177	0.1
136.07600	0.2
137.05957	0.4
137.09686	0.2
138.09111	0.1
141.06921	0.1
143.08565	0.1
145.02820	0.2
145.04933	0.4
145.06583	0.1
145.10149	0.2
147.04405	0.4
147.06544	0.2
147.08098	0.1
147.11661	0.1
149.05933	0.1
149.13322	0.1
151.03856	0.1
153.01823	1.2
159.04408	0.4
159.11769	0.1
161.09625	0.2
163.03928	0.1
163.11105	0.1
167.07057	0.4
171.02872	0.4
175.03905	0.4
177.05472	0.4
179.07065	0.1
181.04900	0.2
189.12793	0.1
193.04814	0.1
207.06538	0.8
217.08665	0.2
239.07219	0.2
242.05727	8.0
243.06178	0.2
270.05225	8.3
271.06036	0.7
276.08658	0.2
285.07559	100.0
286.04776	0.2
286.07907	2.0
297.07520	0.2
301.06934	0.2
322.08826	0.1
327.08545	0.2
387.13730	0.1
399.11908	0.1
447.12860	2.4
473.12347	0.1
561.48395	0.1
566.21277	0.6
593.18677	1.0
598.23840	0.6
609.18127	2.1
673.24567	0.1
680.12036	0.1
755.25677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2392
Annotation	Kaempferol 4'-methyl ether 3-(4Rha-rhamnosylrutinoside)
Peak:m/z	Relative Intensity
53.03942	0.1
55.01884	0.1
55.05507	0.3
57.03442	0.8
59.05011	0.1
64.62337	0.1
68.99821	0.2
69.03428	0.5
69.19916	0.1
70.06587	0.6
71.04994	5.2
72.08145	0.2
73.02911	0.3
75.04474	0.4
81.03418	0.5
83.04978	0.4
84.08112	0.2
85.02907	6.7
86.09708	0.2
87.04504	0.2
91.05477	0.4
93.07053	0.3
95.04962	0.3
97.02911	0.3
99.04444	0.3
103.41868	0.1
105.06998	0.2
107.08634	0.2
109.02890	0.4
111.04428	0.4
114.19157	0.1
116.07080	0.2
119.04961	0.5
120.08098	0.2
121.02848	0.3
124.07598	0.1
127.03913	0.5
129.05466	1.9
133.10118	0.1
134.85670	0.1
136.07558	0.1
137.05984	0.2
145.04945	0.2
146.05969	0.2
147.04404	0.5
147.06558	0.5
149.05984	0.2
151.03899	0.4
152.07039	0.2
153.01826	0.7
153.05496	0.2
160.07542	0.1
161.05986	0.2
163.06062	0.1
167.07025	0.2
175.03911	0.6
177.05559	0.2
181.08620	0.1
189.05458	0.2
194.08171	0.1
205.08701	0.2
207.06563	0.6
226.61197	0.1
229.05037	0.2
239.09241	0.2
242.05666	0.2
258.05249	8.2
259.05646	0.3
270.05185	0.2
271.05963	0.2
285.07562	2.7
286.04721	28.9
287.05228	1.2
298.08234	0.2
301.07062	100.0
302.07373	2.2
303.04947	0.3
327.08621	0.4
343.08133	0.2
367.08011	0.2
402.02646	0.1
411.10696	0.1
429.11993	0.1
447.12997	0.7
463.12411	1.4
501.36856	0.1
609.18134	6.0
610.18787	0.2
684.05890	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	755.2381
Annotation	2'''-O-Rhamnosyl-2''-O-glucosylcytisoside
Peak:m/z	Relative Intensity
53.03905	0.6
55.05464	0.4
57.03384	2.4
61.02885	0.7
67.05458	0.6
68.99774	0.5
69.03378	1.3
69.03712	0.4
69.07018	0.7
69.78352	0.3
70.06588	2.3
71.01283	0.5
71.04993	9.0
71.52848	0.4
71.53233	0.8
72.08122	0.7
73.02891	0.6
79.05450	0.8
81.03436	1.9
81.07005	0.8
82.46937	0.3
83.04941	0.8
84.08106	0.7
85.02902	12.8
85.06496	0.4
86.05959	0.3
86.09659	0.6
91.05424	1.3
93.07024	0.7
95.04918	0.7
95.08583	0.5
97.02898	2.0
99.04409	0.5
102.44049	0.4
103.05402	0.4
103.08868	0.3
103.44669	0.3
105.03349	0.5
105.06950	1.0
105.76056	0.3
107.04903	0.6
109.02913	1.7
109.10155	0.7
111.04407	0.6
117.06932	0.3
119.04881	1.1
120.08067	0.7
121.02807	1.4
121.06418	0.4
121.10070	0.6
122.84575	0.3
125.09548	0.5
127.03857	1.6
129.05473	1.7
133.02792	0.5
133.06482	3.8
135.04416	6.2
136.07494	0.5
138.09128	0.6
141.01782	0.6
145.02805	0.5
145.04843	0.4
145.10007	0.4
147.04344	1.2
147.06483	0.5
149.02309	1.1
151.03876	0.5
155.08464	0.3
159.04410	2.1
162.05397	0.4
163.03864	1.2
165.00555	0.6
165.01820	7.2
165.09094	0.4
167.03404	1.8
167.07014	0.6
175.03853	1.2
177.01834	0.8
177.05426	1.0
179.03395	0.5
181.04852	0.6
183.02879	4.2
187.03903	1.1
189.09145	0.4
191.03297	0.7
195.02924	2.7
201.05466	0.8
205.04845	0.6
206.04346	0.5
207.02806	0.4
207.06471	1.4
215.03345	0.6
225.09264	0.4
233.04344	0.4
242.09497	0.4
243.02783	1.0
243.06503	0.8
253.08571	0.6
258.05212	0.6
261.03928	1.0
266.05646	1.5
269.08054	0.7
271.06067	0.8
277.08664	0.4
280.07309	3.6
281.08072	5.3
282.05255	1.3
283.05914	0.6
284.06793	3.2
285.07574	6.7
286.04773	2.2
287.05341	0.8
293.08160	1.1
294.05243	1.3
294.08817	1.8
295.06326	0.8
295.09610	6.4
297.07562	100.0
298.08200	9.6
299.08862	0.8
301.07065	8.5
303.04935	0.4
304.07202	0.7
308.06760	3.6
309.07538	9.1
309.11172	2.3
310.08002	0.7
311.05627	0.7
311.09018	3.1
312.06366	1.2
315.09604	0.5
319.09616	1.8
321.07620	2.2
322.08307	2.7
323.05542	1.9
323.09094	21.7
324.09564	0.7
325.07028	0.9
327.08621	72.1
328.09015	2.9
332.06625	0.5
335.09079	3.0
337.07300	0.6
337.10693	15.1
338.11157	0.7
339.08826	1.0
347.09094	3.1
349.07010	0.7
351.08618	39.7
352.09036	1.6
360.06143	0.4
363.08594	12.1
364.08829	0.5
365.10098	3.9
369.10065	0.8
375.08591	10.6
376.08987	0.5
381.09680	26.0
382.09805	1.1
393.09662	21.1
394.10229	1.2
411.10748	22.7
412.11520	0.7
429.11804	43.3
430.12259	2.2
447.12827	10.8
455.13330	0.5
473.14209	1.3
489.13959	6.8
513.13934	0.9
543.15063	4.0
555.14948	1.0
566.21417	1.3
573.16089	1.8
575.17261	0.6
591.16986	7.2
592.17310	0.5
609.18048	1.9
659.19562	0.5
737.22693	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.1
55.01866	0.2
55.05500	0.3
57.03422	0.1
61.02912	0.1
63.02380	0.1
65.03951	0.1
67.01860	0.4
67.05509	0.4
68.99770	0.4
69.03429	1.0
69.07046	0.2
70.00995	0.4
70.06584	0.3
71.01341	0.2
71.04976	0.2
72.08149	0.1
73.02896	0.2
78.04691	0.1
79.05487	0.3
81.03411	0.6
81.07052	0.6
81.54668	0.1
83.04977	0.7
83.08653	0.1
84.08145	0.1
85.02907	0.7
85.06521	0.1
86.09716	0.2
87.00809	0.1
87.04458	0.1
89.03909	1.1
89.85638	0.1
91.05469	1.0
93.07038	0.3
95.04961	0.3
95.08612	0.5
97.02877	0.4
97.06519	0.1
98.21384	0.1
99.04429	0.2
105.01868	0.1
105.03351	0.1
105.07018	0.4
107.04955	0.2
107.08585	0.3
109.02883	0.5
109.06551	0.1
109.10123	0.3
111.00784	0.1
111.04433	0.8
111.08052	0.1
117.03378	2.9
117.06983	0.2
119.04934	2.0
119.08555	0.2
120.08080	0.1
121.02869	1.0
121.06484	0.2
121.10117	0.3
123.04401	0.2
123.08031	0.1
123.11690	0.2
127.03907	0.5
129.01846	0.1
129.05453	0.2
131.04921	0.2
131.08545	0.2
133.06532	0.2
133.10127	0.2
134.03601	0.2
135.04459	0.4
135.08026	0.1
135.11678	0.1
136.06200	1.1
137.05962	0.9
141.06981	0.1
143.08568	0.1
145.02843	9.5
145.10083	0.1
146.03221	0.2
147.04390	0.4
147.11688	0.1
149.05968	1.2
149.89099	0.1
151.03897	0.2
151.07445	0.1
153.01825	4.7
154.02271	0.1
157.06454	0.1
157.10156	0.1
158.06064	0.1
159.04503	0.1
159.07919	0.1
161.05902	0.2
161.09470	0.1
163.03896	1.2
163.07553	0.2
165.09209	0.1
165.12743	0.1
167.07043	0.3
169.06468	0.1
171.02885	1.3
175.03870	0.4
177.05466	21.7
178.05852	0.6
179.07127	0.1
186.05507	0.5
187.03900	0.2
189.09041	0.1
195.06451	0.2
197.06129	0.1
201.05440	0.1
203.07050	0.3
207.06529	0.7
211.03983	0.1
211.07466	0.1
213.09036	0.1
215.10814	0.1
217.08646	0.1
225.05434	0.5
227.06970	0.1
229.04980	0.3
242.05823	0.2
243.06508	0.3
243.10182	0.3
245.08060	0.1
247.05934	0.2
253.05029	0.1
255.13777	0.1
267.15875	0.1
269.08072	0.1
270.05240	0.3
271.06000	100.0
272.06348	4.0
272.09378	0.1
283.05978	0.2
285.07562	3.5
286.08121	0.1
287.05603	0.1
287.09103	0.2
295.06085	0.1
301.07040	0.2
305.10028	0.1
309.09833	0.1
313.07047	0.3
323.11243	3.1
324.11569	0.1
337.06781	0.1
381.09637	0.2
387.14413	0.1
433.11328	1.4
447.12067	0.1
489.27948	0.2
502.40405	0.1
561.35510	0.1
579.17157	0.1
621.22559	0.1
755.23969	0.2
755.36749	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55546	0.1
55.01879	0.1
55.05500	0.3
57.03425	0.1
61.08053	0.1
63.02369	0.2
67.01857	0.5
68.99768	0.4
69.03429	1.4
70.06580	0.2
70.57183	0.3
71.01350	0.2
71.05000	0.2
77.47370	0.1
78.04713	0.1
81.03400	0.2
83.04980	1.7
85.02895	0.5
89.03912	1.5
91.05466	0.5
95.04961	0.3
95.22503	0.1
97.02889	0.3
99.04465	0.2
103.05447	0.2
105.03378	0.1
105.07011	0.1
106.04114	0.1
109.02847	0.2
109.06489	0.1
111.04439	1.3
117.03375	4.4
119.04936	1.9
121.02869	1.1
121.10176	0.1
125.05982	0.1
127.03918	0.2
129.01855	0.1
129.05487	0.3
131.04916	0.2
134.03624	0.4
135.04396	0.3
135.67900	0.1
137.05978	0.7
145.02840	13.2
146.03218	0.1
149.05959	1.7
151.03831	0.1
153.01825	5.6
153.07050	0.1
155.08575	0.1
157.06528	0.1
161.05997	0.1
163.03903	0.6
163.07555	0.2
169.06444	0.1
171.02899	1.2
175.03812	0.1
175.07657	0.1
177.05463	30.4
178.05821	0.5
179.06941	0.1
183.08043	0.3
185.05981	0.2
186.05516	0.4
187.03960	0.1
191.07047	0.1
195.06586	0.1
197.06110	0.1
199.07675	0.1
202.06265	0.1
203.07043	0.7
205.04962	0.3
207.06531	0.4
211.07465	0.3
213.09077	0.1
215.07060	0.1
215.10793	0.1
217.08603	0.3
225.05370	0.5
227.06854	0.1
229.04944	0.4
241.08687	0.1
243.06512	0.3
243.10214	0.9
245.08109	0.2
247.06000	0.2
248.09132	0.1
259.09662	0.2
261.11249	0.2
269.08105	0.3
270.05283	0.1
271.05997	100.0
272.06335	2.7
283.05908	0.2
285.07513	1.2
287.09091	0.9
292.02362	0.1
294.56622	0.1
295.06299	0.1
301.06958	0.1
305.10385	0.1
313.06985	0.2
323.11234	7.7
324.11658	0.3
325.08337	0.1
363.08609	0.1
381.09811	0.3
382.60797	0.1
385.10339	0.1
387.15506	0.1
388.49005	0.1
417.12851	0.4
433.11319	1.2
566.20911	0.3
598.23889	0.8
678.03809	0.1
774.58875	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	750.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01885	0.2
57.03434	0.4
57.85291	0.2
59.29883	0.2
61.02929	0.9
64.86336	0.2
68.05034	0.3
69.03432	2.7
70.06591	100.0
71.05009	0.3
71.06925	0.5
71.52077	0.4
73.02925	0.4
75.87212	0.2
79.05501	0.2
81.03419	2.4
84.08141	0.5
85.02908	4.7
87.04467	0.3
87.53114	0.2
91.05483	0.4
93.07072	0.2
97.02894	2.3
99.04450	0.5
103.07066	0.2
105.03430	0.3
107.04987	0.3
109.02876	4.7
111.00779	0.2
112.07601	84.0
113.07915	0.4
114.05563	0.3
116.07095	1.9
119.04918	0.2
121.02878	2.0
127.03905	1.9
133.02876	0.3
137.02350	0.3
140.07060	56.4
141.07346	0.3
145.04959	0.5
147.04416	0.6
149.50391	0.2
152.83974	0.2
153.01802	0.7
157.06500	0.2
158.08130	9.1
162.05493	0.3
165.01833	0.5
167.06979	0.3
174.67854	0.2
175.03896	0.5
185.06065	0.2
200.09184	0.2
207.06601	0.5
212.09198	0.4
213.05511	0.5
219.12115	0.3
224.09171	0.4
230.10190	0.6
241.04904	0.6
242.10194	0.7
255.13737	0.3
258.05057	0.2
266.10263	2.8
280.10693	0.2
284.11282	12.7
287.05490	22.4
288.05795	0.3
302.12326	2.4
311.05435	0.2
329.06528	2.5
349.06815	0.3
353.06427	0.2
357.43307	0.2
376.49615	0.2
377.06482	0.6
395.07523	0.8
439.45465	0.2
588.16602	1.8
588.24292	0.3
757.36743	0.2
777.11371	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01870	0.7
57.03440	0.5
61.02920	0.6
65.03941	0.2
67.05487	0.2
67.38245	0.2
68.99781	1.4
69.03427	4.6
69.30496	2.0
70.06594	2.1
71.04980	0.9
72.08157	0.4
73.02915	0.7
81.03416	6.7
81.07001	0.2
82.06569	0.6
83.01337	0.3
83.04982	0.4
84.08143	0.2
85.02904	4.6
86.09712	1.0
87.00845	1.2
91.03957	0.3
91.05482	0.5
92.05787	0.2
93.07015	0.3
95.04966	0.3
97.02295	0.3
97.02893	5.1
99.04455	2.1
104.04974	0.4
105.01868	0.4
105.03400	0.3
105.07010	0.2
107.04964	0.4
107.08544	0.3
109.02877	10.7
111.04446	0.4
112.07598	0.5
115.03907	0.3
116.07050	0.2
119.04984	0.3
120.08152	0.2
121.02888	0.7
121.06528	0.2
123.04428	0.6
125.02340	0.6
125.05939	0.2
127.03914	12.9
128.07071	3.1
129.01833	0.6
129.10292	0.2
132.04443	5.4
133.02818	0.3
135.04440	0.3
136.07584	0.3
136.72180	0.2
137.05983	0.3
140.07039	0.4
141.01801	1.8
145.04948	3.0
147.02946	0.2
147.04404	0.5
149.02353	0.2
151.03952	0.2
153.01813	0.3
153.05464	0.3
154.04970	0.3
159.02876	0.6
160.03899	0.5
161.04762	0.3
162.05455	0.4
163.03937	0.4
175.03899	0.4
177.05371	0.3
178.04990	54.9
179.05345	1.2
188.03766	0.8
195.02896	0.8
205.04967	0.3
206.04478	100.0
207.04839	2.5
207.06564	0.5
213.03951	2.0
217.04991	0.4
227.38228	0.2
231.04973	1.7
235.05878	0.3
253.07007	0.2
285.05881	0.3
287.05618	0.3
287.09161	0.2
321.06122	0.3
339.07141	0.8
350.14246	0.2
357.08130	1.1
368.09726	1.2
375.09134	0.3
385.13757	0.2
436.08743	1.2
454.09647	1.3
496.10706	0.7
526.09698	0.3
562.11993	2.8
580.13055	5.2
581.12909	0.4
598.14178	1.6
604.19885	0.3
669.58392	0.2
750.31567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.01868	3.5
55.05501	1.0
57.03421	1.1
63.03181	0.7
65.03654	0.6
65.03935	4.5
67.05486	2.7
69.03432	3.1
69.07072	1.2
69.94170	3.3
70.06583	3.1
71.04973	1.4
75.04469	2.3
77.03914	0.9
78.04710	2.6
79.05473	6.2
79.72874	0.6
81.03406	5.0
81.07047	1.9
82.04214	1.1
83.04962	1.0
84.08138	0.7
85.02893	6.3
85.11520	0.7
86.09724	0.7
89.03904	0.9
89.06016	0.8
91.05479	11.3
93.03410	7.4
93.07015	5.9
95.01311	0.9
95.04939	5.4
95.08645	1.5
97.02880	2.7
97.06522	3.0
103.05461	20.0
105.03379	3.7
105.07027	9.4
106.04180	12.4
106.07360	0.8
107.04954	11.1
107.08575	1.5
108.02079	0.8
109.02862	3.6
109.06509	2.1
110.03672	2.0
110.13533	0.8
111.04459	1.6
111.08057	1.3
115.05452	3.8
116.06272	0.9
117.07003	4.3
118.04140	4.2
119.04945	3.8
119.08589	1.7
120.05727	0.7
120.08020	1.1
121.02822	1.2
121.06503	16.3
121.07366	1.0
121.10121	1.9
122.03703	0.8
123.04417	7.3
124.05237	1.3
125.06003	6.6
127.03925	2.2
128.06256	0.8
129.06989	1.3
130.04173	1.6
131.04921	18.4
131.08539	1.2
132.05641	1.4
133.02863	3.9
133.06491	9.2
133.10130	1.1
134.03624	3.5
135.04393	3.0
135.08037	2.2
137.05963	5.3
138.03130	0.9
139.07559	2.3
141.06956	1.0
142.02560	0.9
143.04932	0.9
144.05664	1.5
145.06479	6.3
146.03642	0.9
147.04378	4.0
147.08052	2.8
148.05170	12.0
149.05984	27.6
151.03891	4.0
151.07520	2.4
152.04611	1.7
153.05447	3.6
153.09091	7.5
157.06537	1.3
159.04399	1.9
159.08046	2.4
160.05144	1.1
161.05977	8.8
162.01305	0.9
162.06630	0.8
163.03912	2.4
163.07530	22.2
164.04385	0.9
165.05453	1.4
166.02632	0.8
167.07034	59.3
168.07332	1.3
171.06529	2.7
171.07986	0.9
173.05962	7.4
175.03902	1.9
175.07544	4.0
176.04686	2.0
176.06989	1.3
177.05473	19.0
177.09119	1.2
179.07072	1.6
181.04955	68.6
181.08543	17.8
182.05289	1.3
185.06021	1.1
186.09125	2.1
187.07512	2.8
188.03754	1.3
189.05455	1.4
189.09074	1.1
190.00864	1.1
191.07022	85.8
192.07484	3.1
193.04959	1.6
193.08571	4.6
195.06483	5.1
201.05450	1.9
203.07024	2.5
204.10179	1.8
205.08560	3.1
206.04425	0.9
207.06438	3.4
207.10124	1.1
208.01938	1.2
209.08081	100.0
210.08478	2.0
213.05505	0.7
217.08566	1.9
219.06387	1.7
219.08228	0.9
219.10091	6.1
220.05257	0.8
221.08023	1.7
223.04233	17.4
225.07529	2.4
231.06683	0.8
233.08037	6.2
235.07491	1.9
235.09642	6.1
245.08099	2.6
249.11334	1.1
252.07863	0.9
255.13693	1.6
256.14130	1.7
263.09140	22.0
265.08499	1.3
267.10062	3.8
269.08325	1.1
271.26608	0.8
277.08728	0.8
295.09573	1.2
297.11215	1.8
306.08920	0.7
312.09024	2.4
313.10947	0.8
317.06595	1.5
318.06769	2.7
319.07196	1.2
320.07312	1.7
325.10840	3.6
327.12308	1.6
329.09998	0.8
335.09015	1.0
339.12265	1.7
353.10165	0.9
355.11545	1.1
357.13272	6.9
367.11563	2.9
369.13480	1.4
371.14392	1.0
381.13049	1.2
385.12796	14.0
387.14084	1.7
399.14410	3.3
417.15411	17.3
577.21191	0.7
609.23230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01871	0.5
55.05516	0.2
57.03433	0.7
61.02930	0.8
67.05502	0.4
68.99804	0.3
69.03432	3.3
69.07054	0.2
70.06585	0.9
71.04993	0.4
71.53147	0.2
72.08199	0.2
73.02922	0.3
77.03932	0.2
79.05510	0.9
81.03419	4.4
81.07043	0.4
84.08155	0.2
85.02903	5.9
86.09706	0.3
87.04477	0.2
91.05484	0.6
92.02631	0.5
93.03413	0.7
93.07034	0.4
95.04975	2.0
95.08611	0.4
97.02895	4.2
97.06518	0.2
99.04471	1.0
105.03393	23.0
105.07043	0.3
106.03738	0.4
107.04979	0.3
107.08611	0.4
109.02881	3.3
109.06515	0.2
109.10156	0.3
111.00811	0.2
111.04452	0.2
119.04941	0.3
119.08581	0.3
121.02853	1.0
121.06489	0.2
121.10138	0.3
123.04427	2.0
124.07606	0.2
125.09624	0.2
127.03919	4.6
127.04821	0.3
133.02856	0.3
133.10161	0.2
135.04431	0.9
135.07974	0.2
137.02333	0.8
137.05957	0.8
137.09583	0.2
139.03914	0.6
145.02850	0.2
145.04930	2.1
145.06079	0.2
145.06555	0.1
147.04434	0.7
149.02388	0.2
149.05994	0.2
150.03210	0.1
151.03908	2.8
151.04967	0.2
153.01826	4.7
153.03008	0.3
159.11729	0.2
161.05908	0.3
163.03928	0.7
165.01826	0.6
167.07079	0.7
171.02937	0.3
173.05936	0.2
175.03896	0.6
177.05463	0.9
178.04942	0.8
179.07159	0.2
181.04979	0.3
183.02914	0.3
195.76796	0.2
201.05496	0.6
203.03549	0.2
207.06538	1.0
217.04996	0.4
218.05821	0.3
228.04117	0.8
229.04996	2.2
231.02930	0.3
233.04420	0.2
243.06480	0.3
245.04477	0.6
246.05215	0.9
249.07594	7.7
255.13814	0.4
256.03674	0.2
257.04462	1.8
260.03302	0.3
261.07468	0.3
267.08588	1.6
271.06039	1.0
272.06598	0.2
273.03815	1.2
274.04715	2.8
284.03299	0.4
285.03955	2.8
286.04626	0.2
287.05499	0.6
300.15970	1.9
302.04211	10.9
303.04764	0.6
317.06552	100.0
318.06909	2.5
341.06732	0.2
359.07614	0.5
583.14008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
54.06261	0.1
55.01871	0.3
56.98053	0.1
57.03423	0.5
61.02923	0.9
62.53616	0.1
65.03935	0.2
67.05496	0.4
68.99798	0.3
69.03425	3.4
70.06586	0.7
71.04973	0.6
71.53465	0.2
71.53850	0.2
72.08151	0.4
73.00784	0.1
73.02916	0.3
77.03933	0.3
79.05492	0.8
81.03417	4.3
81.03864	0.3
81.07045	0.5
83.05012	0.3
84.04518	0.2
84.08117	0.2
85.02911	5.4
86.09699	0.2
87.04475	0.3
91.03959	0.3
91.05486	0.5
92.02625	0.4
93.03400	0.4
93.07049	0.3
95.04975	1.7
95.08605	0.4
97.02287	0.3
97.02891	4.1
97.06544	0.1
99.04462	1.0
105.03390	21.5
105.07005	0.4
106.03693	0.2
107.04976	0.3
109.02876	2.7
109.06567	0.2
109.10151	0.4
111.00795	0.2
111.04465	0.2
119.04944	0.4
119.08554	0.2
121.02877	0.8
121.10148	0.3
123.04420	1.6
123.11732	0.2
126.03136	0.3
127.03916	4.1
133.02885	0.4
133.06398	0.2
135.04413	0.8
136.07591	0.3
137.02299	0.9
137.05965	0.5
139.03877	0.6
145.02809	0.2
145.04942	1.9
147.04398	0.4
151.03915	3.0
151.05087	0.1
153.01828	4.9
155.04945	0.2
157.89117	0.2
161.05978	0.2
163.03917	0.5
165.01851	0.6
167.07092	0.5
169.82111	0.1
171.02921	0.4
173.05969	0.2
175.03917	0.3
176.07043	0.2
177.05438	0.7
178.05016	0.8
183.02870	0.2
183.04573	0.1
187.07486	0.2
189.05467	0.2
200.04562	0.2
201.05475	0.5
203.03348	0.3
207.06512	0.7
217.04993	0.5
218.05769	0.4
228.04085	0.8
229.04982	1.9
229.82043	0.2
231.02843	0.3
233.04419	0.2
245.04410	0.6
246.05205	0.8
249.07602	8.1
253.57942	0.2
255.13872	0.4
256.03741	0.2
257.04459	1.7
260.03040	0.2
261.07675	0.3
267.08588	1.9
271.06085	1.0
272.06412	0.2
273.03973	1.2
273.06851	0.3
274.04742	3.4
284.03137	0.3
285.03949	2.6
286.04492	0.2
287.05603	0.3
288.06262	0.3
300.15933	1.4
302.04205	11.4
303.04810	0.6
317.06552	100.0
318.06903	2.0
359.07715	0.5
583.14417	0.9
745.28528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
57.03445	11.3
61.02924	3.2
66.50511	1.4
67.01864	3.3
67.36443	1.3
68.99786	2.9
69.03433	15.9
69.92641	2.3
69.93041	5.9
70.06600	6.4
71.04990	40.5
72.08148	3.6
73.02896	2.2
75.04478	2.8
81.03430	6.5
81.82961	1.2
83.04977	7.4
85.02905	84.0
87.04467	3.2
91.05483	3.4
95.04967	4.3
97.02892	11.2
99.04453	3.3
103.03933	2.0
107.04953	5.7
108.08120	3.1
109.02892	8.2
111.04448	5.1
119.04900	6.3
121.02844	6.4
121.06493	2.1
123.04413	3.7
125.02391	2.9
127.03923	11.1
129.05495	12.5
135.04424	12.4
136.07600	3.6
137.06001	2.3
145.04945	8.8
147.04419	32.7
147.06526	5.9
151.03934	2.1
152.07159	1.7
153.01828	55.9
154.02205	2.0
159.04359	1.5
159.57184	1.3
161.05862	1.6
162.09117	1.9
163.03909	4.2
165.01816	16.8
167.03348	1.3
171.02957	12.1
175.03822	1.8
177.01817	12.0
177.05447	3.0
179.03358	2.9
181.05032	1.7
183.02904	13.3
189.01808	3.2
189.05408	1.9
190.08647	3.1
191.03406	14.0
195.02884	77.4
196.03214	2.1
201.05418	1.8
203.03406	5.9
207.02853	5.6
207.06546	1.8
213.03891	2.2
215.03354	1.8
217.05038	3.7
219.02887	40.1
220.09492	1.3
221.04543	2.8
231.02890	12.7
233.04489	2.5
237.03998	6.6
243.02844	3.4
245.04453	12.5
249.03926	6.0
261.03894	16.5
263.05505	15.0
271.06021	63.8
272.06332	44.9
273.07571	100.0
274.07913	2.4
279.05002	2.8
281.06613	8.2
285.04105	3.7
285.07617	13.3
287.05515	3.9
291.05206	1.7
297.07690	26.8
303.05023	3.9
305.06738	3.2
313.07068	1.6
315.08618	36.9
316.08905	2.0
329.06564	2.2
339.08661	32.8
349.14850	1.5
351.08591	4.4
357.09497	1.9
363.08563	2.6
365.10126	7.0
373.13803	1.7
381.09781	11.2
383.11221	13.1
389.08746	2.4
393.10184	2.0
399.10641	9.4
401.12302	12.2
407.10062	4.1
413.12265	1.7
417.11786	17.2
419.13351	4.5
423.10922	2.0
425.11923	4.1
429.12000	2.2
433.11334	7.4
434.11523	8.5
435.12100	17.8
443.13266	3.4
447.12930	2.0
459.12766	4.8
501.13855	3.7
513.13306	1.6
527.15100	2.1
566.62836	1.5
597.16711	1.8
725.25214	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	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80234	1.2
53.03943	5.6
53.89437	1.2
55.01864	2.8
55.05509	23.1
57.03439	17.7
57.07073	2.0
58.92332	1.1
61.02920	4.8
61.66336	1.2
65.03941	3.7
66.75095	1.6
67.05502	59.2
67.47744	1.3
69.03426	7.2
69.07065	15.8
69.70885	6.6
71.04984	5.9
71.08617	1.3
79.05490	46.6
80.24224	1.2
81.03419	49.2
81.07053	65.1
83.04984	13.6
83.08614	22.9
85.02908	22.5
85.06532	4.6
86.13809	1.4
87.04465	1.6
91.05477	40.9
93.07042	50.1
95.04961	23.2
95.08608	40.5
95.09103	0.8
96.08865	1.5
97.02880	5.5
97.06523	6.4
97.10158	2.8
97.16152	1.5
98.21515	1.8
99.08051	1.4
105.07027	31.9
105.07698	2.6
105.67316	1.2
107.04950	5.9
107.08587	22.8
109.06509	3.6
109.10152	15.3
111.04408	1.5
111.08071	9.0
113.06024	2.1
115.05437	1.9
117.07018	6.7
119.08575	23.9
121.06515	2.6
121.10143	23.2
123.08059	2.9
123.11691	4.5
129.06985	9.7
131.08559	18.2
133.06503	2.1
133.10127	15.4
135.11674	10.4
137.09645	3.0
142.07767	2.0
145.10141	7.5
145.14206	1.4
147.07980	1.9
147.11700	17.0
149.09613	5.6
149.13278	3.7
151.11195	1.4
157.10118	11.7
159.11708	3.3
161.13228	3.2
163.14793	2.4
165.12778	2.9
173.13213	2.9
175.11174	11.3
175.14838	1.6
184.07330	3.9
185.41090	1.5
187.14833	1.6
193.12234	37.8
201.16357	2.4
211.13290	47.6
211.15289	2.9
212.13576	1.7
243.21037	3.0
261.22125	13.2
267.15891	15.7
271.06073	1.9
272.06369	2.0
285.16953	49.0
286.17316	2.0
335.25793	91.4
336.26151	2.3
527.37482	12.9
545.38348	100.0
546.38599	3.9
619.64276	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.2
53.87623	1.1
55.01866	3.5
55.05508	26.6
57.03198	1.4
57.03437	17.4
57.07060	3.1
61.02907	5.2
65.03914	2.6
67.05503	61.3
69.03412	4.3
69.07067	16.3
69.44342	11.3
71.04983	4.5
73.02908	1.3
79.05493	49.4
81.03414	63.4
81.07052	55.3
83.04985	17.8
83.08163	1.6
83.08619	23.1
85.02898	27.9
85.06518	3.9
90.63175	1.2
91.05477	41.9
93.07041	46.6
95.04965	28.1
95.08604	41.7
97.02875	5.7
97.06519	5.7
97.10157	4.0
102.35592	1.2
105.07027	31.0
107.04958	6.5
107.08591	24.1
107.61425	1.2
109.06502	6.1
109.10146	14.8
111.04444	2.1
111.08064	10.4
113.05989	3.8
115.05423	2.6
117.07015	4.8
119.04939	1.4
119.08580	24.8
121.06467	1.7
121.10147	24.6
123.08061	4.0
123.11698	5.0
125.09641	1.6
129.06996	11.1
131.08548	18.8
133.06493	2.2
133.10104	18.5
135.11671	10.9
137.09538	3.0
137.13200	1.7
142.07747	3.7
145.10143	7.1
147.08035	3.3
147.11673	18.6
149.09639	8.5
149.13255	5.2
157.10110	14.8
159.11674	4.8
161.13254	2.3
163.11208	1.2
163.14801	1.7
165.12810	3.3
169.10117	1.4
173.13196	3.4
175.03925	1.8
175.11198	15.6
184.07216	1.5
187.14845	1.7
193.10452	2.0
193.12244	48.7
211.13284	78.2
243.21111	2.5
249.14986	1.2
261.22110	9.6
267.15909	17.5
271.06006	2.0
285.16946	75.0
286.17111	2.3
317.24716	3.4
335.25787	80.8
336.25925	3.1
351.89243	1.4
435.32437	2.2
453.33731	4.5
527.37073	12.7
545.38324	100.0
546.38452	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.6
55.01876	5.0
55.05513	15.2
57.03436	10.4
57.07072	1.2
65.03929	1.8
66.04729	1.1
66.39020	1.0
67.05504	25.0
69.03436	7.8
69.07066	6.8
70.06590	8.3
70.83417	2.1
71.04991	7.2
72.08128	1.3
73.02878	1.3
76.72329	1.2
79.05491	24.7
81.03417	52.9
81.07058	22.1
83.04963	5.6
83.08620	15.3
84.04489	1.4
84.08125	1.1
85.02900	7.7
85.06521	3.0
86.09690	1.6
91.05486	22.9
93.07043	19.5
95.04971	24.0
95.08601	14.0
97.02921	5.7
97.06512	5.3
97.10168	14.8
99.04447	2.6
103.05445	1.5
105.03382	3.0
105.07034	19.7
107.04303	1.4
107.04959	18.0
107.08592	14.6
109.02870	4.6
109.06517	15.0
109.10144	8.8
111.04454	1.2
111.08069	6.1
115.05491	1.1
116.07070	1.1
117.07001	6.5
119.04920	4.7
119.08572	13.7
120.08067	1.2
121.02840	2.9
121.05680	1.2
121.06509	15.0
121.10133	14.1
123.04401	2.6
123.08075	6.2
123.11693	3.7
125.06006	1.2
125.09640	12.7
127.03925	4.3
127.07553	1.0
128.06219	1.9
129.05482	1.1
129.07019	6.3
131.04897	4.4
131.08566	14.3
133.06505	5.1
133.10123	6.6
135.04410	1.9
135.08032	9.6
135.11656	5.0
136.07518	1.4
137.06003	3.2
137.09569	1.9
139.11143	3.3
141.07022	1.5
143.08533	3.7
145.02847	1.6
145.06471	6.6
145.10147	7.6
147.04399	6.3
147.08055	5.6
147.11713	7.7
149.05984	2.1
149.09589	6.5
151.03917	1.5
151.07451	1.5
153.05548	1.1
153.09093	3.4
155.08516	2.3
157.06474	1.5
157.10117	8.5
159.08078	2.6
159.11652	2.1
161.05981	2.1
161.09596	2.4
161.13164	1.6
162.05424	1.4
163.11180	4.5
165.09122	1.8
165.12715	1.7
167.06998	2.8
167.10594	1.3
169.10054	1.9
171.08022	2.2
171.11594	2.3
173.05960	1.3
173.09589	2.1
173.13254	3.6
175.03909	4.4
175.07692	1.4
175.11188	7.1
177.05472	2.7
177.12679	1.6
179.07028	1.4
181.04930	1.6
181.55872	1.2
183.08063	2.0
183.11615	1.8
184.07321	1.6
185.09708	2.0
187.11230	1.8
189.11227	4.2
189.12718	2.5
191.10670	1.3
191.14337	3.9
193.12248	15.6
195.11739	2.0
197.13107	1.7
199.11128	2.9
201.12619	2.2
203.10786	1.1
203.14394	1.8
205.12259	1.7
207.06488	8.4
209.11652	2.1
211.11230	1.4
211.13277	2.6
215.14276	1.5
219.13739	10.8
223.13380	1.4
227.12749	3.3
227.14607	1.4
229.12207	1.4
229.14355	2.8
231.13824	1.5
233.15361	3.5
235.13326	2.6
255.13791	2.2
257.04364	1.5
259.15402	6.8
267.15924	44.6
271.06018	11.1
272.06351	6.5
273.14749	5.0
275.16315	1.4
280.66348	1.2
283.15579	1.3
285.07663	1.7
287.05457	4.0
293.17422	8.4
298.09897	1.2
339.23276	2.1
349.21469	4.1
357.24136	2.2
367.19037	1.3
367.22772	14.1
385.23709	19.2
403.24713	8.4
416.15387	1.2
423.24893	1.5
434.11932	1.8
441.26294	7.5
451.26706	3.7
459.27402	92.8
460.27789	3.9
477.28464	100.0
478.29019	1.3
491.30319	9.7
495.12988	1.5
495.29486	8.5
501.28281	2.5
509.30826	4.8
567.29633	2.1
742.40015	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	741.2246
Annotation	Apigenin 7-O-(2G-rhamnosyl)gentiobioside
Peak:m/z	Relative Intensity
56.96566	0.3
57.03444	0.3
60.85435	0.1
62.50413	0.1
67.01841	0.2
68.99501	0.1
68.99835	0.2
69.03423	0.1
70.06557	0.1
71.04989	1.4
71.50507	0.1
72.08138	0.1
73.02892	0.1
74.06004	0.1
75.04431	0.1
81.03379	0.1
82.18472	0.1
83.04974	0.1
84.96036	0.1
85.02908	2.0
87.04453	0.1
91.04948	0.1
91.05463	0.3
97.02863	0.2
98.97571	0.6
105.03360	0.2
109.02776	0.1
110.97574	0.1
116.07072	0.1
116.98640	0.4
117.05480	0.1
119.04939	1.0
119.39124	0.1
121.02872	0.3
121.03622	0.1
127.03865	0.1
127.51524	0.1
128.98592	0.2
129.05493	0.4
131.00145	0.1
134.99690	0.1
144.98067	0.1
145.02809	0.5
146.99599	0.1
147.04388	0.4
147.06491	0.1
148.04645	0.1
149.01149	0.1
149.97231	0.1
153.01830	2.4
158.99634	0.2
161.01265	0.1
161.02924	0.1
163.03928	0.2
170.99638	0.1
171.02905	0.4
173.01221	0.1
177.00731	0.2
177.05418	0.3
178.05716	0.1
182.99828	0.1
185.02994	0.1
189.00656	0.1
199.02766	0.1
201.00696	0.1
203.07071	0.1
205.01984	0.1
207.06476	0.1
219.01765	0.3
225.05426	0.1
229.04935	0.2
229.07097	0.1
237.02750	0.4
238.03203	0.1
243.01790	0.1
243.06618	0.1
247.06104	0.1
254.05739	0.1
269.04272	0.1
270.05066	0.1
271.06006	100.0
272.06314	1.9
279.03915	0.1
287.05469	0.1
295.08698	0.1
309.08658	0.1
309.23141	0.1
317.08939	0.1
335.10178	0.1
359.10123	0.2
389.16550	0.2
433.11310	25.1
434.11700	0.5
556.19946	0.1
579.17169	0.1
595.16589	4.6
596.16675	0.2
741.22015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2227
Annotation	Apigenin 7-O-(2G-rhamnosyl)gentiobioside
Peak:m/z	Relative Intensity
57.03407	0.5
57.96437	0.1
69.17666	1.5
71.04992	3.6
75.04453	0.2
79.40207	0.2
80.41228	0.1
85.02906	4.6
87.04444	0.2
111.04407	0.1
119.04918	0.6
119.88271	0.1
121.02872	0.3
121.29832	0.1
129.05466	0.8
145.02829	0.4
153.01822	1.6
163.03894	0.2
171.02863	0.3
210.59341	0.1
225.05486	0.1
271.06006	100.0
272.06339	1.5
299.85391	0.1
321.13431	0.1
416.10699	0.1
433.11313	24.8
434.11719	0.7
441.47894	0.1
508.69989	0.2
543.15656	0.2
595.16583	13.9
596.17084	0.4
666.51813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.223
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
53.03937	0.2
53.26345	0.1
55.05497	0.2
55.83557	0.1
57.03434	1.2
61.02924	0.3
67.01855	0.6
68.99488	0.1
68.99811	0.5
69.03433	0.6
70.00101	0.6
70.00517	0.2
70.06589	0.4
71.04598	0.3
71.04990	6.0
73.02901	0.3
74.06067	0.3
75.04456	0.2
79.99606	0.1
81.03407	0.3
81.07046	0.1
83.04986	0.6
85.02902	8.7
87.04456	0.3
91.05470	0.2
97.02879	0.6
99.04446	0.1
100.38085	0.1
109.02856	0.3
111.04429	0.4
116.07106	0.2
116.08096	0.1
119.04948	1.1
121.02868	0.6
127.03920	0.5
129.01875	0.1
129.05475	2.7
135.04404	1.1
137.02388	0.4
144.06586	0.4
145.02838	0.6
145.04948	0.3
147.06497	1.0
153.00562	0.3
153.01817	5.6
161.02336	0.5
163.03923	0.3
165.40938	0.1
171.01514	0.1
171.02885	0.9
179.03322	0.3
182.08121	0.2
187.03792	0.2
203.07103	0.2
206.04495	0.1
225.05396	0.2
229.04869	0.2
241.04909	0.4
243.06403	0.2
269.04410	0.3
271.05997	100.0
272.06308	2.0
283.05908	0.2
287.05484	97.1
288.05774	2.0
303.04932	0.3
309.07846	0.2
313.07138	0.3
329.06653	0.2
339.08673	0.2
351.08527	0.3
405.09567	0.2
415.10089	0.1
423.10660	0.2
433.11218	2.1
449.10715	1.5
471.12918	0.2
495.01508	0.1
495.12674	0.2
579.08673	0.2
579.17017	3.0
580.16895	0.2
595.16577	4.8
596.17169	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.01859	9.9
55.05511	25.9
57.03437	16.3
57.07066	4.5
61.02911	6.2
65.03912	4.4
67.05506	59.4
69.07072	14.6
69.35273	12.2
69.35707	11.2
71.04972	7.4
71.72580	3.0
76.12009	2.7
79.05497	49.1
81.03400	10.5
81.06603	3.2
81.07059	58.0
83.01316	8.0
83.04961	7.8
83.08617	13.9
85.02908	7.7
85.06529	3.4
91.03983	3.1
91.05476	26.4
93.07042	49.9
95.04952	9.4
95.08611	40.8
97.02875	5.1
97.06519	6.8
97.10165	4.1
98.20761	5.2
105.07015	20.2
107.04942	10.1
107.08595	29.3
108.43311	2.5
109.06505	7.5
109.10133	11.2
111.19398	2.8
114.19513	3.2
116.52850	2.9
117.07014	12.5
119.08592	13.6
121.06484	6.2
121.10141	23.3
123.08051	11.7
123.11670	5.2
125.09626	3.7
131.08536	11.1
133.10118	7.7
135.11658	20.3
138.39297	2.9
141.12926	3.0
145.10112	15.9
147.11678	5.9
149.13184	4.6
159.11725	7.5
163.11179	23.9
166.04710	2.8
171.11864	3.4
173.09607	3.0
173.13286	5.7
181.12193	2.8
203.18013	3.4
209.11690	7.8
227.12766	13.7
243.21132	6.4
261.22067	17.7
267.15924	4.0
271.05969	7.9
283.15405	100.0
299.23361	3.0
313.27472	3.7
313.78177	2.8
317.25009	4.5
335.25787	96.3
336.26019	4.8
337.57190	2.9
469.33096	3.5
525.35657	5.0
543.28259	4.1
543.36774	75.2
544.37103	7.8
606.45813	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	741.223
Annotation	Apigenin 7-O-(2G-rhamnosyl)gentiobioside
Peak:m/z	Relative Intensity
57.03412	0.1
62.89314	0.1
67.01835	0.3
68.99793	0.2
69.82631	0.3
69.83045	0.2
71.04993	0.6
73.02872	0.1
77.32198	0.1
81.03352	0.1
83.34698	0.1
85.02907	0.9
91.05449	0.2
98.21483	0.2
107.16779	0.1
119.04940	1.2
121.02863	0.4
129.01819	0.1
129.05455	0.2
145.02795	0.5
153.01826	3.2
163.03908	0.2
165.01736	0.1
169.57855	0.1
171.02888	0.5
184.84653	0.1
187.03781	0.1
225.05420	0.2
229.04910	0.3
243.06509	0.3
246.88596	0.1
247.06039	0.1
271.06006	100.0
272.06339	2.3
281.07980	0.1
283.05972	1.0
287.05554	0.3
303.23883	0.1
309.07672	0.3
313.07074	0.7
323.09192	0.2
337.07083	0.4
367.08011	0.2
379.08160	0.2
397.09354	0.2
415.10318	0.4
433.11310	18.9
434.11911	0.8
475.12570	0.1
579.16956	0.1
595.16302	0.4
617.08917	0.1
741.21844	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26857	1.2
52.61301	1.6
53.03933	3.1
55.01846	2.0
55.05512	10.7
57.03442	7.4
57.07058	2.2
60.40111	1.3
65.03930	2.0
67.05508	35.5
69.03446	1.3
69.07072	14.4
71.04989	3.3
71.52766	1.9
79.05495	33.0
81.03417	2.0
81.06588	2.8
81.07057	37.4
83.05005	3.3
83.08623	10.7
85.02930	1.7
85.06512	1.3
91.05486	14.0
93.07043	41.1
95.04982	6.6
95.08607	46.1
97.02888	3.6
97.06555	2.8
97.10184	1.7
99.04444	2.0
105.07022	10.7
107.04945	6.1
107.08597	29.1
109.06520	3.3
109.10174	11.1
117.07017	9.0
119.08591	14.1
121.06517	4.8
121.10145	18.9
131.08548	5.3
133.10147	6.1
135.11702	36.8
145.10144	21.5
147.11664	3.2
159.11708	1.7
161.13269	1.8
163.11180	39.9
173.13284	2.5
173.70000	1.5
181.12244	5.9
191.49785	1.3
217.72945	1.3
227.12790	58.9
243.21111	2.0
250.79958	1.3
261.22192	7.8
261.24521	1.3
271.06036	7.5
283.15414	57.1
306.27664	2.1
318.40674	1.5
335.25812	100.0
336.26315	2.4
448.63657	1.8
543.36835	74.6
544.37061	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	740.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01870	2.6
55.05510	18.7
57.03441	9.0
57.07082	1.9
58.19201	0.9
61.02945	1.0
63.36745	0.9
65.03934	2.0
67.05505	43.2
69.03434	1.3
69.07059	12.6
71.04980	3.8
73.02922	1.1
79.05017	1.1
79.05491	40.4
81.03432	3.4
81.07053	41.7
83.04983	4.1
83.08620	10.8
84.91373	1.0
85.02912	2.0
85.06537	1.3
87.04515	1.1
91.05476	15.6
93.07043	55.4
95.04970	8.9
95.08602	56.2
97.02885	4.1
97.06535	4.9
97.10131	1.4
99.04445	3.6
103.05506	1.3
105.07021	15.1
107.04951	8.6
107.08588	35.8
109.06503	3.5
109.10162	13.2
109.97420	1.0
111.08089	2.6
117.07025	9.4
119.08585	15.3
121.06523	6.2
121.10137	22.5
123.11704	2.2
125.06007	2.7
131.08597	5.2
133.10106	5.1
135.08087	1.8
135.11690	52.4
136.12027	1.8
137.09769	1.2
139.07500	1.6
145.09055	2.3
145.10124	27.9
145.54437	1.2
147.11697	2.7
149.13286	1.8
159.11693	2.8
161.13268	1.9
163.11179	60.8
163.14809	1.8
173.13258	2.3
175.14810	1.1
177.49428	1.0
181.12227	10.9
209.11774	1.8
227.12776	78.3
228.13168	1.4
243.21129	3.7
261.22113	7.8
271.05988	3.4
283.15390	97.5
284.15656	2.6
317.24774	3.4
317.62686	1.2
335.25778	100.0
336.26181	3.6
365.85110	1.0
543.36823	88.1
544.36957	5.5
682.60358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.01855	2.3
55.05507	8.5
57.03431	1.9
57.07078	4.8
57.52166	0.9
61.02914	1.8
65.03952	0.9
67.05502	18.2
69.03429	7.2
69.07066	11.0
69.98071	0.9
70.06573	1.5
71.04991	2.6
71.52845	1.5
71.53226	0.9
73.02926	1.5
79.05495	11.4
81.03416	7.5
81.07057	30.8
83.04968	1.1
83.08619	9.8
85.02908	21.4
85.06559	2.1
87.00828	9.7
91.05470	11.5
93.07042	23.7
95.04961	2.7
95.08604	42.7
96.08935	1.2
96.34290	0.9
97.02892	9.2
97.06516	1.3
97.10182	7.3
99.04458	2.6
99.08083	3.6
100.10013	0.8
105.01875	19.3
105.07027	19.6
107.04881	1.0
107.07873	2.0
107.08589	31.9
108.08943	1.1
109.02893	6.3
109.06490	2.2
109.10155	78.7
110.10516	0.9
111.08074	1.3
111.11717	2.1
117.07026	2.7
119.08582	24.4
121.06460	1.0
121.10139	38.2
122.10511	1.0
123.08112	2.3
123.11697	47.2
125.09630	13.8
127.03925	14.7
129.07007	1.1
131.08562	11.5
133.09123	1.7
133.10133	32.1
134.10454	1.1
135.11696	27.5
137.09627	9.0
137.10626	1.2
137.13260	10.3
139.07611	1.0
139.11198	4.6
143.08533	3.0
143.10672	6.8
144.09309	1.1
145.04941	4.8
145.10126	14.1
147.11676	23.8
148.12006	1.2
149.09618	45.3
149.13254	14.7
150.09920	1.1
151.11160	3.6
151.14850	7.1
156.09381	1.2
157.10117	3.7
159.02869	2.4
159.11684	16.0
161.13255	15.9
162.13538	1.1
163.11191	8.9
163.14810	10.9
165.09094	1.1
165.12756	3.8
165.16420	1.6
167.10641	1.2
167.14200	0.9
171.11696	4.6
173.13258	9.4
175.14801	12.1
177.12828	5.3
177.16367	7.9
179.14313	0.9
183.11728	1.0
185.13258	3.2
187.14787	10.1
189.16353	8.0
191.14394	2.0
191.18005	1.2
193.12239	1.5
193.15862	1.4
197.13425	1.1
199.14891	5.2
200.10606	1.0
201.16389	8.8
203.14244	0.9
203.17975	7.6
205.15891	2.5
205.19550	2.8
207.17470	1.0
213.16422	3.2
215.17914	5.3
217.15929	1.1
217.19444	4.6
221.15352	1.1
221.18953	0.8
225.16458	1.1
227.17940	6.5
229.19418	1.3
231.05011	6.8
231.17355	1.2
241.19492	5.8
245.19156	1.0
247.16870	2.1
249.06099	5.0
255.21057	1.9
257.22806	1.4
269.22647	1.3
271.05997	12.1
271.24213	9.8
273.25729	2.4
285.07602	1.6
287.27347	1.5
297.25760	63.8
298.26123	2.8
315.26813	100.0
316.27155	5.4
331.26279	3.9
333.27939	1.2
357.27893	3.2
375.28909	3.3
403.33585	1.5
413.34064	1.6
421.34741	9.9
433.11325	2.7
439.35727	21.6
440.36005	1.3
457.36697	8.2
584.77155	1.0
740.44971	1.9
762.29364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01871	2.4
55.05497	5.9
57.07076	1.6
61.73145	1.3
64.73668	1.3
67.05508	6.3
69.03423	5.8
69.07060	8.7
71.04967	1.7
71.52269	1.8
74.47176	1.1
76.62723	1.2
79.05483	4.3
81.03414	5.8
81.07052	14.6
83.04980	2.7
83.08606	10.3
85.02514	1.2
85.02908	12.6
87.00828	6.3
91.05479	4.3
93.07045	11.9
94.59975	1.3
95.04977	1.8
95.08607	27.2
97.02888	5.9
97.10147	7.1
99.04485	1.9
99.08102	5.4
105.01877	7.1
105.07049	7.0
105.27869	1.6
107.08597	21.2
109.02887	5.9
109.09467	2.5
109.10155	29.4
111.08080	3.7
113.09630	2.4
114.12888	1.3
117.07028	1.6
119.08565	12.4
121.10146	24.7
123.08071	1.9
123.11709	10.1
125.09621	13.0
127.03944	11.4
131.08603	2.7
133.10120	25.6
135.11694	10.1
137.09625	3.0
137.13274	3.7
139.11180	9.8
143.10677	2.5
145.04996	2.5
145.10107	7.7
147.11703	11.2
149.09566	2.5
149.13255	12.5
151.11203	5.4
151.14819	2.1
153.12801	1.4
157.10126	2.4
159.02849	1.5
159.11673	9.1
161.13260	4.9
163.11160	3.3
163.14809	5.1
165.12828	2.8
171.11673	1.7
173.13260	5.4
175.14883	6.7
177.12790	4.1
177.16399	5.3
179.14172	2.5
187.14865	4.2
189.16402	11.8
191.14368	2.0
191.17955	3.1
193.15843	2.7
195.17329	1.7
199.14836	2.3
201.16377	7.5
203.17986	3.9
205.15869	3.1
207.17480	10.0
213.04033	1.6
213.16368	1.7
215.17958	3.7
217.19446	2.7
219.17444	5.9
227.17894	2.4
229.19545	7.7
231.04968	4.9
231.21115	2.3
233.19057	2.1
245.18962	4.1
247.20476	3.1
248.20781	1.5
257.55704	1.5
259.20636	1.6
271.05951	14.2
271.24344	3.5
297.25751	12.7
303.26889	3.3
315.26813	51.6
316.27167	2.2
333.27887	100.0
334.28174	4.0
339.26584	1.3
374.30923	1.9
375.28897	3.9
421.34644	6.9
433.11279	2.6
439.36142	7.6
457.36829	17.0
475.37775	5.1
501.31662	1.7
545.30554	1.9
563.31647	2.7
610.20038	1.5
687.41272	1.4
717.63391	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.05505	1.2
57.03444	1.7
65.03928	1.3
65.90655	0.8
65.96993	0.8
67.05503	2.4
69.03426	2.6
69.07070	1.8
69.47062	7.3
70.06581	4.7
71.04978	4.3
72.08171	1.1
73.02888	1.2
79.05484	5.2
81.03431	5.3
81.07066	4.9
83.04997	1.0
83.08628	1.3
84.08134	1.4
85.02897	7.8
89.03972	0.9
91.05476	9.7
93.07057	4.0
94.06551	1.9
95.04979	2.9
95.08604	3.3
96.08111	1.6
97.02892	2.9
97.06528	1.1
99.04482	1.7
105.03398	2.6
105.07027	4.4
106.06606	1.1
107.04966	3.8
107.07286	1.3
107.08608	2.8
108.08147	5.3
109.02879	2.9
109.06513	1.9
109.10154	1.7
110.09682	1.5
111.04423	1.1
118.79414	1.0
119.04941	11.8
119.08583	2.5
120.08114	3.1
121.02863	1.1
121.06508	1.4
121.10099	1.7
122.06059	1.7
122.09664	1.5
123.04424	1.6
123.06824	1.2
124.07598	1.4
125.06020	1.3
127.03916	3.3
129.06995	1.3
131.04915	2.4
131.08582	2.6
132.08096	1.9
133.06506	2.3
133.10075	1.5
134.06039	1.5
136.07565	11.8
137.05972	1.3
137.08386	1.3
137.09634	1.3
138.05565	1.2
138.09137	10.5
145.10104	1.9
146.06007	1.6
147.04420	11.9
147.08044	2.0
148.07590	2.7
149.06026	1.5
150.09161	5.7
151.03987	1.7
151.06277	3.2
151.09901	1.8
152.07137	1.3
152.10715	4.2
159.07991	1.4
159.11711	1.8
160.07538	1.0
161.05995	2.6
162.05511	1.9
162.09154	2.0
164.07129	1.8
164.10759	1.1
165.09128	3.3
166.08638	34.1
167.07045	20.8
168.10194	3.0
172.03935	3.3
175.03909	17.5
175.07574	5.6
176.06993	7.0
177.05519	1.3
177.07426	2.2
178.05032	2.4
178.08685	1.7
179.07098	1.3
180.10213	4.1
181.04932	1.7
182.04593	1.1
182.11752	8.2
187.07545	3.3
189.09125	1.5
190.04970	3.4
191.07025	2.2
193.08667	1.7
204.06606	5.0
207.06522	39.8
211.08755	1.3
213.10327	1.6
223.08714	1.4
225.10258	1.7
227.11884	1.7
228.12566	1.3
235.08694	1.7
236.09372	2.6
237.10231	2.9
239.11743	1.4
241.09700	1.3
242.05708	6.8
249.10226	3.9
250.10849	1.3
251.08229	1.7
251.11815	1.4
253.09775	1.2
255.11290	1.4
259.14359	2.7
261.09332	1.0
263.08273	2.1
263.11786	1.3
264.08896	1.8
265.09705	6.4
266.10458	1.5
267.07556	4.5
267.11508	1.3
269.12854	2.7
270.05078	6.1
271.05872	1.0
277.09818	4.4
278.10260	1.2
279.07950	1.5
279.11349	2.7
281.09235	1.7
281.12061	2.0
283.10886	2.0
285.07568	69.9
286.07953	2.3
287.05298	2.1
287.13940	11.6
291.07568	3.0
293.09119	3.5
295.10895	2.7
297.12259	1.4
307.10895	1.6
309.08646	6.1
309.11816	1.8
311.10284	2.3
311.13724	1.2
313.15414	5.7
321.11511	1.6
323.10239	9.9
325.11804	2.8
337.08115	1.9
337.11829	2.3
339.09744	1.4
339.13394	4.8
341.13940	3.8
344.13727	1.5
351.10526	3.3
353.14133	2.5
355.13022	1.5
356.13815	2.0
357.14462	2.4
358.15454	1.6
369.11505	1.9
371.16034	12.8
372.17133	1.7
383.12448	1.8
385.14194	2.2
400.16495	2.6
402.14478	1.2
415.14957	3.1
416.15762	1.3
426.14627	1.6
444.15421	1.9
450.20483	1.4
454.14316	1.2
458.16898	3.3
462.16037	1.5
474.20367	2.1
476.17960	1.6
486.16443	2.2
490.19666	8.2
500.18387	5.6
518.19226	14.7
536.19751	1.2
550.21844	65.7
551.22620	2.3
582.24451	100.0
583.24579	3.2
593.18298	3.7
657.25360	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	739.318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58117	0.2
52.74716	0.2
57.03402	0.3
59.04976	0.8
69.03400	0.2
69.38428	1.3
69.38857	1.0
69.83701	0.3
70.06576	0.8
79.05463	0.2
81.03408	0.4
83.24765	0.2
84.08092	0.3
84.17163	0.3
85.02887	0.7
86.09725	0.3
86.56006	0.2
89.03876	0.3
91.05475	0.6
93.07066	0.3
94.06525	0.6
95.03733	0.2
95.04962	0.3
96.08113	0.6
97.02863	0.3
109.02824	0.4
110.09687	0.5
116.04964	0.9
119.04925	0.6
120.08087	0.3
121.02856	0.8
122.06026	1.0
124.07515	0.5
126.05489	0.2
127.03862	0.5
128.21878	0.2
129.05469	1.5
129.10172	0.2
134.67099	0.3
136.07565	0.8
137.05963	0.3
138.05452	0.7
138.09142	1.1
144.04448	2.6
147.04405	0.7
147.06673	0.3
150.05498	1.6
151.06297	0.3
152.07065	10.7
154.08650	0.6
162.05508	1.1
162.11409	0.3
165.07857	9.2
166.08612	4.6
167.09392	0.6
172.03926	14.5
175.03864	0.5
178.04921	0.3
182.08115	4.6
190.04964	0.4
193.07362	0.5
200.09207	2.0
204.06557	26.4
207.06578	1.7
208.06865	0.7
211.08395	3.1
226.10730	100.0
227.11043	1.1
229.09685	0.6
230.10600	0.5
257.12802	0.5
258.10141	0.3
259.10675	0.4
272.11493	0.4
273.12366	1.0
287.05496	5.9
289.11795	0.6
299.10269	0.3
301.11731	0.4
315.13467	0.7
318.12134	0.3
325.11777	0.6
333.14447	10.1
333.18475	0.5
339.13324	0.8
351.15546	3.1
357.14407	4.8
365.17068	0.6
367.12973	0.3
389.33682	0.3
431.13440	0.5
491.10181	0.3
508.21033	0.6
520.20697	0.5
538.21527	0.3
540.22821	0.3
552.23401	0.3
590.20813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
56.64190	1.1
57.03441	1.6
60.04525	1.3
63.95666	1.1
67.05527	2.8
69.03425	2.6
69.68078	1.9
69.68488	5.4
70.06599	7.5
71.04995	2.7
72.08147	1.7
79.05503	2.3
81.03419	4.8
81.07058	2.2
83.05000	1.6
84.08160	1.9
85.02903	4.1
86.09700	1.6
91.05478	4.4
93.07048	2.6
94.06575	2.4
95.04988	2.2
95.07349	2.5
95.08592	1.3
96.08132	4.5
97.02898	2.8
99.04473	2.3
103.05450	1.5
105.03397	2.7
105.07029	2.9
107.04917	1.3
107.08601	1.3
108.08128	2.5
109.02904	4.8
109.06493	1.7
109.10147	1.9
110.07197	1.7
110.09659	7.1
119.04941	3.9
119.08547	2.8
120.08107	6.3
121.02875	3.0
121.06520	2.9
121.10126	2.1
122.06025	1.4
123.04430	1.2
124.07626	1.1
127.03921	4.6
133.02875	2.2
133.10130	3.7
135.04433	1.5
135.08061	1.6
136.07571	3.1
138.05476	1.5
138.09158	8.2
145.10091	2.4
147.04416	5.0
148.07538	1.6
151.03949	1.5
152.07076	3.6
153.01796	1.8
159.07974	1.2
162.05534	2.2
164.07018	1.6
165.01840	2.9
166.08662	8.6
167.07076	4.8
172.03925	2.9
173.05849	1.4
175.03979	5.1
175.08733	2.1
177.05452	2.8
179.07018	1.1
182.08157	8.6
183.02911	2.2
194.08191	5.0
200.09218	2.3
204.06544	5.9
207.04915	1.4
207.06494	8.1
208.06839	1.7
221.07082	1.5
222.07875	2.7
223.08691	11.1
224.09492	4.0
225.10324	4.6
226.10777	5.2
227.08310	1.6
235.08745	3.2
236.09396	1.4
237.06596	3.8
237.10268	3.5
238.11034	1.6
239.08221	2.9
239.11852	1.8
242.10091	1.3
249.06575	2.4
249.10297	2.3
250.07526	3.6
251.08168	20.2
252.08891	7.4
253.09807	10.6
254.10576	1.8
255.13680	1.7
263.08191	3.8
264.09091	1.7
265.06107	3.1
265.09698	7.9
266.10446	1.2
267.07703	3.6
267.11322	13.2
269.09317	1.6
271.06000	4.9
275.08490	1.4
278.06796	3.1
279.07642	35.3
280.08383	9.5
281.09195	22.2
282.09775	1.7
283.07233	1.9
283.10599	1.2
285.07687	1.3
287.05515	9.5
291.07669	1.4
293.09317	9.6
294.10049	6.7
295.07471	1.7
295.10767	29.9
296.11444	3.9
297.08676	3.1
298.09332	1.8
299.10034	2.0
301.11795	2.0
306.06442	1.4
307.07071	6.4
307.10315	1.5
308.07806	3.0
309.08612	10.8
310.05795	1.8
310.09299	2.0
311.06567	2.2
311.10236	6.0
312.11154	1.4
313.11758	1.5
321.08655	7.1
322.09610	2.5
323.10193	6.4
325.08752	7.1
325.11292	7.3
326.08994	2.1
327.09930	1.7
335.06622	1.7
339.09830	12.0
339.13571	1.8
340.10596	3.3
341.11310	28.3
349.08203	3.3
351.09973	1.7
353.07663	2.9
353.11392	9.0
357.10861	1.9
367.09238	17.2
368.10037	51.2
369.10797	68.4
370.11188	2.6
371.12726	2.2
372.13589	1.4
373.14536	1.8
381.10822	1.8
385.10361	1.6
386.10748	2.3
387.11929	4.5
399.11853	97.4
400.12646	100.0
401.13434	23.2
402.14468	1.5
417.12869	2.3
431.13187	1.8
447.14706	2.4
475.13705	8.9
490.16974	2.7
493.14676	6.9
533.17688	6.5
534.18671	34.7
535.18896	1.7
550.21478	4.2
565.20685	3.7
566.21362	40.6
567.21503	2.3
582.20770	28.9
583.21582	1.8
625.23297	1.8
739.24487	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2438
Annotation	3,7-Dihydroxy-8-methylflavone 7-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
55.01857	0.1
55.05487	0.1
57.03437	0.7
61.02903	0.1
61.97527	0.1
67.01849	0.1
68.99805	0.1
69.03416	0.1
69.31384	0.1
69.31998	0.4
71.04992	3.7
73.02879	0.2
73.75815	0.0
75.04448	0.2
82.08587	0.1
83.04993	0.4
83.55573	0.0
85.02905	5.0
87.04459	0.2
98.20798	0.1
99.04438	0.1
111.04413	0.2
113.53597	0.0
118.04116	0.1
121.06623	0.1
129.05476	1.3
133.06496	0.9
135.04405	0.2
147.06535	0.4
153.01823	1.2
159.04408	0.3
161.11934	0.0
171.02873	0.3
171.06509	0.1
177.05449	0.2
217.08705	0.1
221.62999	0.1
239.07018	0.1
239.09085	0.1
239.53555	0.1
242.05725	8.5
243.06203	0.2
270.05222	9.1
271.05600	0.2
280.12900	0.1
283.05966	0.1
285.07559	100.0
286.04700	0.1
286.07895	1.9
297.07587	0.1
327.08496	0.2
395.11444	0.1
413.11771	0.1
429.11792	0.1
431.13159	0.1
447.12866	1.1
584.75024	0.1
593.18665	5.8
594.18915	0.2
739.24866	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	739.2448
Annotation	3,7-Dihydroxy-8-methylflavone 7-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03939	0.3
55.01861	0.2
55.05497	0.3
57.03419	0.7
58.04995	0.2
61.02908	0.2
67.05486	0.6
68.99805	0.2
69.03425	0.9
69.07055	0.5
69.89335	0.7
70.06586	1.3
71.04993	3.4
72.08140	0.2
73.02921	0.2
74.06127	0.1
75.04475	0.2
79.05478	0.8
81.03409	1.0
81.07056	0.9
83.04963	0.5
84.04515	0.2
84.08128	0.4
85.02906	4.2
86.06068	0.4
86.09695	0.4
87.04449	0.2
91.05476	0.8
93.07069	0.9
95.04957	0.5
95.08607	0.9
97.02879	0.6
97.06507	0.3
99.04451	0.4
105.03378	0.5
105.07008	0.7
107.04971	0.3
107.08560	0.6
108.08110	0.2
109.02882	0.6
109.06469	0.2
109.10122	0.9
110.07126	0.2
111.04431	0.4
111.08112	0.2
114.99182	0.1
116.10724	0.2
117.07027	0.3
118.87753	0.2
119.04921	0.4
119.08578	0.6
120.08112	0.3
121.02859	0.3
121.06489	0.2
121.10155	0.5
123.04432	0.2
123.11680	0.3
127.03907	0.7
129.05501	0.9
129.10165	0.2
131.04990	0.2
131.08629	0.2
133.06506	0.9
133.10164	0.3
135.04454	0.3
136.07497	0.2
137.05951	0.4
137.09604	0.5
139.27782	0.2
145.04977	0.2
145.10123	0.3
147.04370	0.3
147.08017	0.2
147.11667	0.2
149.09456	0.2
149.13165	0.2
151.03888	0.2
151.07445	0.2
153.01822	1.3
159.04433	0.2
159.08148	0.2
159.11610	0.3
161.09581	0.3
162.05545	0.2
163.03882	0.2
163.11147	0.2
165.01752	0.2
165.09108	3.6
167.07082	0.4
171.02913	0.3
173.08099	0.2
173.13200	0.2
175.03899	0.4
175.11012	0.2
176.07054	0.2
177.05490	0.3
187.11258	0.3
189.09131	0.2
205.12247	0.3
207.06531	1.0
230.34863	0.2
242.05754	7.9
243.06229	0.3
255.13788	0.3
270.05222	8.7
271.05991	0.7
285.07565	100.0
286.07919	1.8
287.05661	0.3
327.08453	0.3
395.11285	0.3
439.13739	0.2
447.12878	1.3
550.21606	0.2
577.34521	0.2
582.23810	0.2
589.65350	0.2
593.18677	4.3
695.36499	0.2
738.37140	0.3
739.39117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	1.7
69.55479	0.8
69.55888	1.7
78.09783	0.4
79.59097	0.3
81.03390	0.8
82.62354	0.4
85.02904	4.1
86.09669	0.4
97.02876	1.5
98.97548	0.4
99.04444	0.6
109.02886	0.5
116.98614	0.6
120.08056	0.4
127.03920	1.3
132.04475	2.4
132.10106	0.4
145.04971	1.0
158.99742	0.4
160.03844	0.7
178.04997	39.8
179.05392	0.5
188.28732	0.3
206.04485	100.0
207.04866	1.5
209.72978	0.4
209.78038	0.4
234.98923	0.7
237.02745	0.5
290.14990	0.3
368.09760	9.0
409.60931	0.4
556.31915	0.4
700.61737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.01860	0.9
68.99817	0.3
69.03429	2.3
69.43412	0.6
69.43831	1.5
70.06595	1.8
71.04988	0.7
72.08134	0.4
74.06082	0.3
79.05489	0.7
79.13530	0.2
79.20932	0.2
81.03413	1.9
81.07053	0.6
84.08150	0.4
85.02899	3.2
86.09676	0.6
88.04008	0.4
91.05489	0.8
93.07032	0.6
95.04967	0.9
96.49862	0.3
97.02900	2.7
99.04440	0.8
106.82983	0.3
109.02895	2.0
109.06483	0.4
111.08130	0.3
116.07067	0.4
119.04951	0.6
120.08103	2.3
121.02841	0.4
121.06492	0.7
123.04446	1.0
124.03950	0.4
124.05196	0.7
124.07695	0.4
127.03906	2.5
128.07098	0.4
131.97574	0.3
132.04442	6.0
136.07515	0.4
137.05984	0.4
139.07538	4.6
145.04936	0.9
147.04428	0.8
149.05974	0.4
155.07047	1.2
163.03947	0.3
163.07507	0.3
163.71864	0.3
166.08548	0.3
167.07030	30.0
168.07310	0.4
175.03946	0.9
176.04268	0.3
177.05440	0.5
178.04982	56.1
179.05450	1.4
179.06851	0.4
181.04910	0.3
181.08578	1.0
182.08151	0.3
183.02898	0.3
183.06509	0.6
187.05975	1.0
194.05756	0.5
206.04472	100.0
207.04776	2.1
207.06537	2.8
208.06969	0.6
209.08086	37.6
210.08418	0.9
225.07600	0.7
227.09105	0.8
233.11703	1.0
250.10590	0.5
271.06021	4.5
277.11755	0.4
287.05511	2.4
288.05759	1.8
325.06906	0.5
353.12241	0.7
354.06519	0.4
431.09467	1.2
433.11316	0.7
576.17017	19.0
577.16901	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5611
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
54.23974	0.8
55.05517	6.2
56.05029	2.9
57.07072	3.9
60.04527	53.7
67.05219	0.8
67.05510	8.1
69.07072	9.4
70.06602	1.9
70.56904	2.0
71.08630	2.3
72.04501	2.2
73.98153	0.7
74.06071	2.0
79.05488	6.5
81.03413	2.2
81.07059	12.8
82.06586	1.5
83.08624	5.8
85.02917	0.8
85.10185	1.0
86.06075	2.8
90.05550	2.3
91.05496	4.8
93.07044	6.3
94.06564	4.7
95.04987	1.8
95.08599	10.4
96.08150	1.6
97.06535	0.9
97.10175	3.3
98.09261	0.7
105.07024	4.7
107.08592	4.3
108.08126	1.2
109.06489	0.9
109.10170	4.2
110.09703	0.9
111.08167	0.8
111.11742	1.2
112.07616	0.9
119.08614	3.8
121.10149	4.6
122.09657	0.9
123.11729	1.1
133.10097	4.3
135.11679	1.8
135.21425	0.7
137.09644	1.1
137.13205	1.0
139.61728	0.7
147.11671	1.7
149.13216	0.9
161.13141	0.8
189.16431	0.9
219.21249	0.9
236.58511	0.7
245.22729	3.4
250.25459	2.0
252.26839	1.2
262.25302	22.9
263.23611	5.7
266.24979	0.8
268.26428	1.4
272.25809	6.4
280.26358	23.5
298.27377	8.6
314.26871	2.1
316.28516	1.1
328.09613	0.8
344.27826	0.9
516.47577	3.5
534.48828	15.9
552.49878	100.0
553.50323	5.6
570.50909	31.7
571.51581	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	734.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
53.03949	0.3
55.01867	0.2
55.05508	0.7
57.03431	0.2
57.07064	0.5
59.05009	0.2
61.02908	0.2
65.03929	0.9
67.05501	2.6
69.03432	1.2
69.07062	0.8
70.06586	0.7
71.04972	0.5
71.53109	0.2
72.08153	0.2
73.02910	0.2
76.03150	0.2
77.03927	0.4
79.05498	0.5
81.03416	3.0
81.07053	0.8
83.01367	0.2
83.04985	0.3
84.06755	0.1
84.08142	0.2
85.02913	1.3
85.06537	1.7
86.09736	0.2
89.03921	0.5
91.05480	13.8
92.05803	0.3
93.07041	0.4
95.04963	0.4
95.08607	0.7
97.02893	0.4
99.04456	0.4
103.05463	0.7
105.03384	0.8
105.07022	0.6
107.04951	0.4
107.08635	0.2
109.02859	1.4
109.06531	0.3
109.10163	0.8
115.05479	0.2
118.04162	0.3
119.04939	23.8
119.08586	0.4
120.05283	0.5
121.02869	0.6
121.06539	0.3
121.10179	0.4
122.03678	0.2
123.04478	0.2
125.58743	0.2
127.03925	0.9
129.03334	0.4
130.06512	0.2
131.04919	0.7
131.08553	0.3
132.02071	0.7
133.02867	0.9
133.06409	0.3
133.10097	0.3
135.04410	0.6
135.08099	0.2
136.05243	0.2
137.05980	0.3
144.18958	0.2
145.02863	0.6
145.06436	0.3
145.10112	0.2
147.04408	22.5
147.11667	0.3
148.04756	0.5
149.02341	0.6
149.06030	0.3
151.03922	0.3
155.08652	0.1
157.03951	2.0
157.07512	0.2
157.10094	0.2
159.04384	1.1
159.07983	0.3
159.11630	0.2
161.06004	0.4
162.03130	0.4
162.09018	0.3
163.03961	0.9
164.04689	0.7
167.07074	0.3
169.09972	0.2
171.08095	0.2
171.57695	0.2
173.05971	0.5
175.03903	56.2
176.04280	1.4
177.05513	1.6
179.07016	1.8
185.09618	0.2
187.03894	3.4
187.07480	0.4
187.11125	0.2
189.05495	1.4
189.09038	0.7
192.04190	0.8
199.03961	0.7
201.05470	0.7
201.09100	0.3
203.03415	0.7
207.06523	100.0
208.06860	2.4
212.04584	0.2
213.05434	0.3
215.06963	0.3
217.08475	0.5
225.07472	1.0
226.06210	0.6
227.07001	0.2
228.07814	0.3
229.08585	4.8
231.10172	1.6
241.08586	2.6
243.10156	3.2
245.08006	0.4
247.09666	11.8
248.10036	0.3
253.08597	0.4
255.10185	0.6
257.15308	1.6
259.09738	0.9
271.06000	0.2
287.05511	0.6
295.13309	1.3
313.10959	0.3
313.14340	3.8
314.14673	0.2
331.15384	12.5
332.15671	0.6
349.16489	0.8
351.10742	3.1
369.11792	12.7
370.12109	0.4
419.20392	0.3
537.20734	0.2
716.88617	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.6
56.05018	3.4
56.31747	1.2
57.07070	5.4
58.06582	1.6
60.04525	82.5
65.03934	1.6
67.05508	16.0
68.05006	1.3
69.07069	13.8
70.06576	2.9
71.08627	4.5
71.13418	2.7
72.04505	4.0
74.06080	3.7
75.33304	1.3
79.05501	10.4
80.05036	2.3
81.03408	3.6
81.07063	21.3
81.53215	1.2
82.06583	2.2
83.04959	1.8
83.08624	10.3
86.06075	2.4
89.26643	1.2
90.05551	3.7
91.05476	11.8
93.07049	11.3
94.06573	4.7
95.04967	2.4
95.07329	1.5
95.08610	15.8
96.08158	1.4
97.06526	1.6
97.10166	5.9
98.06090	1.6
105.07039	7.1
107.08575	6.3
108.08088	1.5
109.10159	4.3
116.07204	1.3
119.08612	6.9
121.10167	5.0
123.08072	1.9
123.11662	2.6
133.10127	5.8
135.11737	2.7
136.11220	1.8
137.09630	1.8
139.38918	1.2
147.11697	2.5
150.27359	1.2
161.13251	1.6
233.22787	2.1
245.22760	3.0
249.86435	1.4
250.25284	4.5
262.25290	34.4
263.06207	1.7
263.23770	5.6
272.25903	5.0
280.26379	30.0
298.27374	11.2
314.26907	2.6
316.28409	2.0
344.28119	1.6
516.47827	5.1
534.48792	15.8
552.49860	100.0
553.50018	5.3
570.50903	32.6
759.05164	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01865	0.7
55.05514	1.5
55.38745	0.3
65.03934	0.5
67.05504	4.9
68.99785	0.5
69.03434	1.2
69.07065	1.4
69.90913	1.1
70.06581	1.0
71.04984	0.7
72.08162	0.3
79.05490	5.1
81.03419	4.0
81.06596	0.3
81.07058	5.9
83.04983	1.0
83.08620	1.6
85.02898	1.6
85.06509	0.4
91.05482	6.2
93.06483	0.5
93.07045	6.5
95.04969	1.4
95.08609	4.7
97.02882	0.9
97.06548	1.9
97.10163	0.5
99.04439	0.5
105.03389	0.9
105.07018	3.4
107.04941	1.4
107.08584	3.4
109.02879	3.4
109.06493	0.7
109.10146	1.8
110.07152	0.4
111.00822	0.6
111.04443	0.8
111.08097	1.3
113.05947	0.3
117.07031	1.9
119.04930	0.9
119.08571	4.1
121.02866	6.6
121.06515	2.3
121.10134	2.8
123.08071	0.9
123.11707	0.9
124.07602	0.2
125.05977	0.3
127.03918	6.1
127.07547	0.2
128.06194	0.2
129.06978	1.1
131.08569	4.4
133.02840	1.0
133.06462	0.6
133.10115	3.2
135.04474	0.3
135.08058	2.8
135.11682	1.3
137.02345	1.6
137.05948	0.9
137.09628	1.4
139.07564	0.7
141.06956	0.7
143.08560	0.8
145.04913	0.2
145.06459	0.4
145.10112	4.3
146.05946	0.3
147.04369	1.8
147.08102	1.2
147.11693	1.9
149.09621	3.3
149.13150	0.4
151.07568	0.6
151.11150	1.0
153.01819	3.2
153.09123	0.4
154.04991	0.5
155.08530	0.8
157.06488	0.4
157.10188	0.3
159.08037	0.4
159.11655	1.0
161.05891	0.5
161.09593	0.6
161.13080	0.3
163.11154	2.6
165.01813	1.4
165.05447	0.4
165.09128	0.5
167.07022	0.5
167.10732	0.5
169.10098	1.6
173.09627	0.4
173.13232	0.5
175.03976	1.4
175.07545	0.2
177.05472	0.5
177.16399	0.5
181.05058	0.5
183.02907	0.9
183.08087	0.2
183.11690	0.4
185.05930	0.6
185.13234	1.3
187.11134	0.5
187.14821	2.4
193.08589	0.2
201.12642	0.4
201.16373	2.3
207.06526	1.9
211.14810	4.5
213.05479	1.3
217.15921	0.3
219.06537	0.5
219.17287	0.4
229.15884	3.4
231.06500	0.7
241.05013	1.3
245.04372	0.3
247.16933	11.7
248.17560	0.3
255.13788	0.6
258.05478	1.1
259.05804	0.3
263.16516	0.5
265.17984	21.8
266.18314	0.3
271.05914	0.7
283.19040	14.7
284.19592	0.4
287.05493	100.0
288.05798	3.2
297.07532	0.4
299.05466	0.4
309.07635	1.3
311.05518	0.4
327.19586	0.4
329.06427	1.9
339.12106	0.3
345.20633	0.3
351.08524	0.3
353.06439	0.4
355.18994	1.3
369.12088	0.3
373.20071	0.8
391.20996	0.4
395.07639	0.6
409.22159	2.8
427.23312	0.5
432.14264	0.4
449.10757	0.3
484.99313	0.2
731.41260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1814
Annotation	cyanidin 3-O-glucoside-7-O-(6-O-(p-hydroxybenzoyl)-glucoside)
Peak:m/z	Relative Intensity
53.03944	0.9
55.01873	0.5
57.03432	0.4
61.02932	0.7
63.72227	0.1
65.03934	1.8
67.05502	0.2
68.99792	0.7
69.03427	2.9
69.42728	1.1
70.06586	0.3
71.01346	0.2
71.04988	0.5
72.79945	0.1
73.02909	0.4
79.05494	0.3
81.03416	5.5
81.07056	0.2
83.01314	0.1
84.08135	0.1
85.02901	5.5
87.04433	0.2
91.03961	0.2
91.05462	0.2
94.15098	0.1
95.04955	2.3
97.02886	4.6
99.04437	0.9
105.03384	0.5
106.44680	0.1
107.04949	0.3
109.02872	3.2
109.06419	0.1
111.00795	0.4
111.04438	1.4
121.02862	74.7
122.03194	1.5
127.03914	3.6
129.07027	0.2
133.02826	0.6
135.04391	0.2
137.02347	1.0
137.06012	0.2
139.03897	9.1
141.06944	0.2
145.04956	1.4
145.06119	0.2
145.06505	0.2
147.04431	1.0
153.01813	2.8
157.06430	0.3
157.30801	0.1
161.05905	0.2
165.01828	1.4
171.04453	0.2
175.03935	0.3
183.02962	0.7
185.05991	0.3
203.03519	0.2
207.06462	0.2
213.05467	1.2
213.08957	0.1
219.06436	0.2
231.06564	0.5
241.04878	1.2
245.04445	0.3
255.13817	0.5
258.05304	0.8
259.05975	0.2
265.07056	10.2
266.07257	0.3
269.04385	0.1
283.08121	5.6
284.08621	0.2
287.05481	100.0
288.05817	3.1
288.08875	0.3
299.05804	0.2
329.06534	0.4
418.97275	0.1
431.73120	0.2
569.12903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
53.03948	1.5
55.01878	0.4
57.03431	0.7
61.02922	0.7
68.99805	0.7
69.03434	3.7
69.31329	1.5
70.06589	0.6
71.04980	0.5
73.02903	0.3
77.03932	0.3
79.05496	0.9
81.03419	5.4
81.07047	0.2
85.02905	6.1
86.09746	0.2
87.04463	0.2
91.02090	0.1
91.03920	0.2
91.05496	0.3
92.42595	0.1
93.03400	0.2
93.07044	0.2
95.04967	1.7
97.02290	0.4
97.02890	4.5
98.21622	0.2
99.04444	1.0
105.03391	25.2
105.04546	0.6
105.06951	0.2
106.03747	0.3
109.02887	2.8
111.00804	0.7
114.85646	0.2
119.04944	0.3
121.02878	1.1
123.04424	1.9
127.03920	5.1
137.02335	6.7
137.03409	0.3
145.04965	1.8
145.06107	0.2
145.06465	0.2
147.04422	0.4
149.02342	0.9
153.01823	3.7
161.06007	0.4
163.03944	0.8
165.01828	1.7
166.02657	0.4
167.07060	0.3
171.02834	0.2
173.06006	0.4
177.05537	0.3
183.02965	0.6
183.04396	0.2
187.03940	0.5
187.29077	0.2
198.49095	0.2
201.05424	1.7
205.04950	0.3
207.06583	0.3
207.41083	0.2
211.04146	0.2
219.02869	0.3
219.06628	0.4
229.04973	3.3
229.07060	0.3
247.06033	0.6
249.07591	7.8
257.04471	2.7
263.54361	0.2
267.08566	1.7
267.10788	0.2
274.04684	0.5
285.03906	1.0
287.05621	0.4
303.04984	100.0
304.05295	1.8
345.06119	0.6
569.12811	0.6
697.27325	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01861	0.2
57.03423	0.4
61.02921	0.7
65.03933	0.2
68.99774	0.6
69.03427	2.6
70.06579	0.3
71.01315	0.1
71.04972	0.2
71.52036	0.1
71.52444	0.1
72.08142	0.1
73.02909	0.2
79.05467	0.2
81.03416	2.1
81.07047	0.2
83.05003	0.2
85.02901	4.1
86.09718	0.1
87.04447	0.1
91.05477	8.1
92.05835	0.1
93.07032	0.2
95.08571	0.1
97.02889	2.8
99.04453	0.6
99.56264	0.1
101.56867	0.1
103.05489	0.2
105.03408	0.5
105.07004	0.1
107.04933	0.3
109.02873	1.4
111.00800	0.6
111.04436	0.2
115.05383	0.1
117.06987	0.2
119.04919	0.2
119.08563	0.1
121.01997	0.2
121.02866	4.0
121.10123	0.2
127.03911	3.7
128.07860	0.1
129.06960	0.1
133.02808	0.6
133.06419	0.1
135.04402	0.1
137.02351	0.9
137.05986	0.7
145.04941	1.7
145.06464	0.3
147.04361	0.9
151.03894	0.1
153.00566	0.2
153.01820	3.1
157.06468	0.3
161.05965	0.2
163.03952	0.1
165.01840	1.3
167.07016	0.2
171.02881	0.3
171.04373	0.1
173.05954	0.2
175.03922	0.3
177.05521	0.2
183.02881	0.8
185.05965	0.5
187.07477	0.1
189.05516	0.2
201.05482	0.2
203.03439	0.1
203.07072	0.2
207.06488	0.3
213.05432	1.2
231.06537	0.7
241.04953	1.1
243.06447	0.2
245.04364	0.2
258.05283	1.0
259.06055	0.3
263.09134	2.3
269.04410	0.2
271.06131	0.2
281.10132	0.2
287.05484	100.0
288.05823	3.9
329.06589	0.2
353.06958	0.1
375.41354	0.1
449.10699	0.1
567.14880	1.5
568.14801	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	727.2436
Annotation	Naringenin 7-O-(2'',6''-di-O-alpha-rhamnopyranosyl)-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.99968	1.3
53.28887	1.4
55.01875	3.4
55.05513	3.0
57.03437	14.8
59.04998	1.7
61.02908	1.5
67.01876	1.9
67.05479	1.4
68.99780	2.4
69.03101	1.8
69.03434	27.9
69.03798	1.1
69.60548	4.1
69.60957	4.8
70.06569	2.8
71.01343	1.7
71.04993	68.6
73.02901	3.6
75.04464	4.4
79.05476	2.6
79.94922	1.3
81.03398	4.5
83.04981	10.5
83.32807	1.4
85.02904	100.0
87.04477	1.5
91.05466	2.5
92.32248	1.5
93.03391	2.5
95.04948	4.7
96.39848	1.5
97.02909	5.4
99.04448	5.5
103.03933	1.8
105.03374	2.4
105.07011	1.8
107.04914	7.4
108.08067	1.7
109.02871	4.0
109.06484	1.9
111.04460	12.9
117.05524	2.3
119.04945	6.2
121.02849	5.7
121.06521	3.1
123.04462	3.4
124.07613	1.9
125.02377	1.6
127.03933	4.6
129.05472	24.5
129.06956	1.7
131.04938	1.9
133.02991	1.3
133.06413	1.8
135.04417	15.8
145.05006	2.0
145.06473	1.8
147.04420	27.6
147.06453	8.2
149.02373	2.5
151.03874	2.7
152.07036	3.1
153.01822	35.7
153.05452	2.8
157.04976	2.4
161.06055	1.7
163.03899	4.4
165.01813	12.2
171.02876	9.1
171.06612	1.8
172.03897	2.1
173.05917	3.6
173.19179	1.8
175.03963	4.3
177.01782	8.4
177.05360	1.5
179.03418	2.9
182.08121	5.0
183.02887	6.3
185.02325	1.6
187.03976	1.9
189.01820	7.8
189.05449	3.3
191.03424	12.6
194.08131	4.3
195.02876	60.9
201.05527	2.9
203.03377	10.9
204.06618	5.0
205.01317	2.0
205.06908	2.4
207.02885	11.5
207.06508	2.4
209.04361	1.7
212.09239	4.3
213.05473	1.5
215.03384	3.1
217.04994	3.2
219.02875	53.2
221.04422	5.7
223.02235	1.7
225.03923	2.7
227.03365	1.6
229.04948	4.4
231.02954	13.9
233.04416	5.8
235.05765	1.8
237.03926	13.7
239.09050	1.9
243.02850	5.4
245.04453	23.9
249.03883	6.5
255.06497	2.5
257.04544	8.8
259.05917	2.3
261.03918	28.0
263.05496	20.9
269.04517	7.9
271.06003	20.0
272.06345	13.7
273.03940	3.3
273.07578	57.0
275.05527	3.6
275.11060	2.3
281.06613	5.5
283.05908	2.8
285.03894	10.0
285.07526	11.5
287.05490	14.9
291.04959	2.2
297.04459	1.8
297.07501	11.4
303.05002	3.6
303.32196	1.8
305.06543	14.1
309.07373	4.3
311.05515	5.7
315.08664	19.3
317.06708	3.5
321.06180	1.8
323.07837	9.1
327.08508	4.1
327.12277	1.8
329.06509	9.1
339.08667	27.1
345.06058	1.8
346.60812	1.8
347.07626	4.4
351.08527	8.4
357.09625	2.5
363.07776	2.6
365.10315	9.5
373.09070	3.5
381.09668	12.8
383.11227	26.7
389.08838	6.0
391.10178	4.6
393.09579	1.8
395.11377	2.1
401.12189	15.3
402.12589	1.6
405.09625	3.9
407.11057	15.1
411.10461	3.0
413.12158	5.2
417.11612	5.8
419.13531	14.3
423.10718	2.4
425.11960	14.3
429.11890	7.2
441.11487	3.2
443.13422	13.5
449.12048	5.0
459.12997	8.4
461.13287	1.8
467.12943	7.1
483.12772	3.1
485.13843	2.1
509.14343	5.1
511.16232	3.1
527.15448	7.7
545.16187	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	727.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.1
53.00288	0.1
53.03949	1.4
55.01870	1.3
55.05494	0.1
56.05009	0.1
57.03435	0.8
60.59433	0.1
61.02925	1.0
65.03928	0.1
68.99792	0.7
69.03428	5.4
69.83403	0.3
69.83815	0.2
70.06564	0.2
71.01334	0.1
71.04993	0.8
73.02921	1.2
81.03416	6.6
83.01320	0.2
85.02904	8.5
87.00826	4.1
87.04444	0.2
91.03967	0.4
92.02600	0.3
93.03400	0.5
95.04919	0.1
97.02892	3.7
99.03867	0.1
99.04454	2.2
103.03934	0.1
105.01861	2.5
108.08123	0.2
109.02879	5.4
110.07132	0.1
111.00755	0.2
115.03900	0.2
117.01202	0.1
117.01855	0.9
121.02875	0.9
123.04433	0.1
126.03127	0.2
127.03915	7.6
129.01843	0.9
133.02835	0.1
136.07544	0.3
137.02303	0.3
137.05984	0.1
139.03909	0.6
141.01837	0.1
145.04947	2.4
146.19685	0.1
147.02843	0.5
147.04344	0.1
151.03908	0.7
153.01822	4.6
157.06488	0.1
159.02888	3.0
163.03862	0.2
165.01843	0.5
173.65814	0.1
175.03822	0.1
177.04048	0.1
177.05464	0.3
182.59546	0.1
183.02867	0.3
185.71042	0.1
191.03375	0.1
195.02831	0.1
200.04715	0.1
201.05467	0.5
203.03357	0.2
207.06459	0.2
213.03923	0.3
217.04927	0.3
218.05698	0.3
228.04181	0.7
229.04961	2.5
231.02794	0.3
231.04988	1.2
233.04617	0.1
239.03348	0.1
243.06546	0.2
245.04521	0.7
246.05228	1.2
256.03720	0.2
257.04431	2.0
260.03146	0.3
261.07574	0.3
271.06067	1.2
273.03912	1.3
274.04718	3.5
275.05206	0.1
284.03162	0.4
285.03931	3.5
286.04523	0.2
287.02310	0.1
287.05496	4.0
288.06174	0.4
294.05118	0.1
295.06104	0.4
300.06088	0.1
301.03610	0.1
302.04202	11.1
303.04599	0.3
307.05920	0.3
309.07614	0.1
315.10010	0.1
317.06540	100.0
318.06888	2.5
321.07709	0.2
325.07172	0.3
329.06589	0.1
337.07065	0.3
341.06409	0.1
349.07080	0.1
351.08859	0.1
355.07867	0.1
359.07629	0.9
379.08170	0.3
383.07623	0.2
391.08231	0.2
403.08026	0.1
409.09158	0.1
421.09024	0.1
425.08542	0.2
427.10577	0.1
433.11053	0.2
457.11105	0.4
471.36499	0.1
475.12204	0.2
479.11841	13.4
480.12021	0.4
481.11154	0.2
511.12033	0.1
547.10693	0.1
559.14398	0.2
565.11700	0.4
577.15143	0.2
677.24078	0.1
709.27051	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.8
55.05507	11.4
57.03183	2.4
57.03437	10.0
57.07061	2.9
60.33847	2.4
60.66675	2.3
61.02949	3.1
61.44783	2.6
65.03928	3.0
66.55117	2.7
66.72343	2.9
67.05505	62.3
69.07073	18.7
69.23107	22.1
69.23511	4.5
79.05488	30.5
81.07059	63.4
83.04977	6.4
83.08158	2.7
83.08626	8.9
85.06553	4.7
91.05474	21.1
93.07041	52.5
95.04955	5.0
95.08606	31.0
97.06503	3.4
98.20809	4.9
99.37826	2.4
105.07043	9.4
107.08605	23.5
109.06548	3.7
109.10150	11.3
111.08073	5.3
117.07030	8.9
119.08575	9.0
121.10147	20.0
131.08582	10.4
133.10117	6.1
135.11688	10.6
145.10138	3.9
147.11671	3.6
149.13280	19.8
159.11713	10.5
173.13306	3.4
177.12749	3.8
195.13870	5.9
216.53865	2.3
222.17766	2.6
243.17548	2.5
261.22177	12.4
269.17490	57.6
335.25790	47.7
359.93674	3.2
389.73514	2.8
529.38837	100.0
530.39520	5.5
726.44141	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	725.446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94957	1.3
53.03932	2.5
55.01867	2.3
55.05512	10.2
56.96570	1.5
57.03429	2.5
57.07068	4.7
61.02919	1.8
62.02681	1.2
67.05504	25.1
69.03429	9.7
69.07073	16.2
69.49809	10.1
70.06586	4.1
71.04973	2.4
73.02911	1.8
79.05481	10.1
79.07650	1.3
81.03417	8.9
81.07059	39.7
83.04972	2.0
83.08612	7.9
84.04549	1.2
84.08128	2.1
85.02903	23.2
85.06548	2.5
86.09704	2.2
86.69016	1.5
87.00835	9.7
91.05453	12.4
93.07037	23.2
95.04967	4.9
95.08602	51.0
97.02895	6.9
97.06528	2.5
97.10178	5.5
98.20854	2.7
99.04470	2.4
99.08077	10.4
105.01859	18.0
105.07033	25.0
107.07874	2.9
107.08592	49.9
107.63632	1.4
108.08883	1.7
109.02885	6.2
109.06493	2.4
109.10152	84.8
111.08103	4.1
111.11729	2.2
113.09647	3.6
117.07030	1.6
119.08578	22.9
119.09389	2.4
120.09004	1.6
120.60991	1.5
121.02872	1.5
121.10130	36.8
121.10921	2.3
121.92227	1.4
123.08079	3.1
123.11706	37.9
124.12060	2.1
125.09635	8.2
127.03925	13.8
127.11213	1.4
131.08553	3.1
133.10127	27.6
135.11691	31.9
137.09612	2.2
137.13242	12.7
139.11208	8.1
143.08615	1.6
143.10684	1.9
145.04951	5.8
145.10121	7.2
147.11668	21.0
149.13254	17.3
151.11177	50.7
151.14815	7.3
157.10081	1.7
159.11772	7.1
161.13249	14.1
163.14832	12.2
165.09102	4.6
165.12744	6.0
173.13295	4.8
175.14783	8.7
177.16391	14.3
179.14325	3.3
187.14835	4.6
189.16389	15.5
191.17886	3.7
194.45216	1.4
197.08264	1.6
201.16412	4.4
203.10719	1.3
203.17960	30.1
205.19537	4.4
207.17409	8.0
215.17990	5.1
217.19493	9.8
219.17493	1.5
229.19525	6.8
231.05109	2.7
231.21049	1.7
243.21104	2.2
247.20615	1.8
249.05940	3.5
271.06027	6.6
273.25748	4.8
296.63425	1.4
299.27310	41.0
317.28372	100.0
318.28741	6.1
405.35324	2.9
423.36267	4.4
441.37338	7.8
459.38574	3.0
473.97070	1.6
565.34094	2.3
602.41998	1.7
621.13690	1.4
734.46094	1.5
748.90369	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01841	1.0
55.05496	1.9
56.05012	1.0
57.03440	0.9
60.04505	1.1
63.27262	0.8
67.05481	3.4
69.03426	2.9
69.07046	2.5
69.59890	5.7
70.06602	4.6
71.04986	2.1
72.08139	1.5
74.35589	0.8
79.05480	1.5
81.03407	3.0
81.07050	2.7
82.06583	0.9
83.04990	1.7
84.08134	1.2
85.02904	5.4
85.11036	0.8
86.09708	1.3
91.05467	3.6
93.07035	3.5
95.04952	1.9
95.08600	1.9
96.08135	1.4
97.02892	2.4
97.06507	1.4
98.06047	1.1
99.04436	1.3
105.03400	1.3
105.07034	2.0
106.06527	1.0
107.04947	1.9
107.08582	1.1
108.08121	2.3
109.02843	2.2
109.10136	1.2
110.07169	1.1
110.09673	2.0
111.04456	1.2
112.05122	0.7
115.05467	0.9
119.04943	3.7
120.04495	1.1
120.08122	7.3
121.02901	1.2
121.06532	0.9
121.10132	1.1
122.06023	1.3
122.09724	0.9
124.07562	2.4
127.03920	3.3
133.02882	0.9
133.10132	1.2
135.11627	0.9
136.07581	2.1
137.05992	1.5
138.05499	5.5
138.09152	7.8
138.47931	0.8
145.02821	1.2
147.04375	4.4
147.08090	1.0
151.03923	1.6
151.07643	1.1
152.07059	3.4
153.01834	1.6
159.11763	0.8
162.05519	5.8
162.09163	1.8
163.05914	1.9
163.07451	0.8
166.08636	3.5
167.07082	2.3
168.92654	0.8
172.03932	1.1
174.09241	1.0
175.03876	3.1
176.07056	1.4
177.05388	2.0
182.08171	1.8
194.08188	2.4
204.06516	1.8
207.06525	7.2
212.09177	1.7
213.10147	1.1
223.08685	1.3
225.10301	1.2
225.53615	1.0
235.08679	1.2
236.09355	0.9
237.10225	2.4
239.11687	1.1
242.05832	2.4
249.10226	3.8
249.41023	1.0
250.11066	1.1
251.08064	1.2
251.11833	2.0
252.08665	1.0
253.09686	2.2
255.11270	1.2
265.09772	5.8
267.11325	3.2
270.05167	2.5
271.06055	12.1
271.10730	1.3
272.06305	1.4
277.09814	1.7
278.10382	4.5
279.07635	3.7
279.11258	7.0
280.08429	1.3
280.11823	1.5
281.09427	1.2
281.12781	1.3
282.09921	1.3
283.10715	1.8
285.07535	23.6
285.12253	1.5
286.07730	1.0
287.05420	1.7
293.09482	1.6
293.12866	4.6
295.10770	3.5
297.07626	1.2
297.12073	1.6
303.04849	1.6
305.09210	1.0
307.10660	2.1
309.08633	1.8
310.09406	0.9
311.10205	3.9
311.13580	1.2
313.12006	1.7
313.15613	0.9
317.06641	2.5
318.12225	1.2
321.12195	1.2
323.10229	2.0
325.11725	4.8
326.12753	1.3
328.14127	1.2
329.11276	1.9
330.12097	1.8
335.12619	1.4
338.42068	0.9
339.09641	2.0
339.13382	17.0
341.11368	7.1
342.12158	2.3
343.13171	1.5
344.14029	1.9
351.09586	2.2
353.15140	1.3
356.14105	2.0
357.14618	1.5
358.11566	1.1
358.15747	1.9
366.11801	2.0
367.12775	3.5
369.10806	13.0
369.14896	1.3
370.11551	3.5
371.12354	1.7
372.13306	2.3
374.14917	1.4
376.16818	1.1
382.11545	1.0
383.12448	1.0
384.13269	3.3
385.13898	2.2
386.15359	1.7
388.16440	2.9
391.14972	1.3
396.13501	1.1
397.13922	1.0
398.15042	1.6
399.15524	40.4
400.16721	4.8
402.14380	2.9
404.16095	6.4
414.14438	2.4
416.16357	4.4
417.16644	2.9
418.17877	1.5
419.18497	2.0
430.14044	2.3
432.15305	2.7
444.15530	3.5
445.16403	1.4
448.14810	1.5
449.14948	1.0
458.16925	3.1
461.15561	1.5
462.16479	3.0
463.17413	3.0
472.15186	1.0
476.18246	6.9
481.18936	1.0
486.16553	1.2
490.16000	2.1
494.19623	1.4
504.17535	11.0
506.19290	4.3
522.18762	4.1
536.20294	100.0
537.21069	19.8
554.21393	7.3
555.21582	1.1
556.23254	1.3
568.22772	5.7
586.23785	2.2
593.19165	2.3
597.23096	3.1
611.21106	3.8
615.23859	1.3
625.22583	2.8
629.25867	2.4
643.23950	13.1
661.24359	1.7
693.26782	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25534	1.2
53.03954	1.6
55.01868	2.2
55.05505	3.2
55.97194	1.1
64.24957	1.2
67.05504	3.5
67.47453	1.3
69.03426	4.7
69.07066	1.9
69.95168	4.3
69.95584	2.6
70.06590	6.1
71.05002	2.6
72.04486	1.3
79.05492	4.4
80.05040	1.6
81.03407	6.1
81.07047	5.0
82.06586	2.2
83.08609	2.6
84.08161	1.8
85.02898	6.9
85.06542	1.5
86.09685	2.0
91.05486	7.4
93.07059	8.3
94.06562	5.6
95.04942	3.3
95.07351	4.6
95.08612	3.0
96.08129	12.4
97.02879	3.5
98.21389	1.8
99.04472	2.2
100.11263	3.2
101.35612	1.3
103.05464	2.0
105.03441	1.8
105.07019	4.8
107.04962	2.1
107.08604	3.1
108.08124	10.5
109.02863	5.1
109.10191	1.4
110.09678	24.8
115.05493	1.2
116.07088	2.1
119.04937	4.1
119.08566	3.3
120.04466	1.5
120.08102	26.0
121.02856	1.6
121.06532	2.1
121.10136	1.4
122.06020	1.5
122.09668	4.0
123.04507	1.4
123.07993	1.5
127.03920	5.3
128.10739	2.0
131.04913	1.7
131.07289	3.9
133.10184	2.6
136.07564	6.0
137.06009	2.5
138.05513	1.8
138.09142	44.3
140.07028	2.3
145.02838	2.1
145.10130	1.7
146.09663	5.8
147.04399	5.7
147.11664	1.3
148.07593	4.5
150.09081	2.3
152.07062	5.7
160.07535	1.4
161.09590	1.5
162.05547	9.4
162.09200	1.7
164.07108	3.3
164.10596	1.7
165.05574	1.6
166.07233	2.0
166.08633	27.3
167.07095	3.1
168.08049	1.3
172.03931	1.6
174.09135	12.6
175.03983	6.1
175.14789	2.0
177.05568	3.2
179.07050	1.5
182.08173	2.7
182.15378	2.6
185.94775	1.4
191.07176	1.6
192.10211	4.3
193.04932	1.7
194.08125	5.1
204.06551	3.8
206.04434	1.5
207.06540	12.5
209.10786	2.3
210.14941	3.0
211.08702	2.0
212.09134	2.9
213.10262	2.9
215.08354	1.5
218.08099	1.6
220.09695	16.0
222.07875	2.5
222.11217	2.6
223.08670	2.7
224.09390	2.2
225.06564	3.1
225.10191	4.4
226.07362	1.7
227.08124	1.6
229.09749	1.7
236.09241	3.4
237.06583	3.3
237.10233	15.3
239.08226	4.6
239.11850	4.0
240.08911	1.8
241.09680	3.9
243.07602	1.8
251.08185	10.3
252.08983	5.9
253.09756	10.9
255.07565	2.4
255.11217	3.0
255.13737	2.4
257.09100	2.5
258.09991	1.9
259.10590	1.9
263.08005	2.4
265.09723	24.2
266.10391	2.6
267.07938	7.5
267.11206	14.3
269.09161	4.0
269.12808	1.4
271.06033	20.6
271.10648	2.9
272.06400	1.7
278.07971	2.1
279.07684	6.7
280.08505	6.4
281.09299	10.1
282.09918	3.5
283.10806	4.4
285.08810	12.5
285.11850	2.4
287.05551	1.8
287.10291	2.3
293.09189	5.4
295.07379	1.9
295.10745	35.4
297.08679	5.5
297.12222	2.5
298.09421	3.9
299.10205	2.7
301.11722	2.9
302.08542	1.4
308.07849	1.4
309.08826	4.2
310.09387	2.6
311.10272	31.3
312.10898	1.4
313.08572	2.3
313.11774	7.7
315.09775	1.7
315.13345	1.6
317.11368	11.1
319.12961	2.2
321.08734	7.8
323.10352	7.1
325.11865	5.0
326.08957	6.1
327.09760	2.2
328.10559	4.4
329.11240	7.5
330.11923	1.8
339.09741	58.0
339.12698	2.3
340.09991	2.8
341.11285	51.2
342.11819	4.2
343.12863	8.8
351.09756	5.4
353.11386	3.0
354.08676	2.3
357.10849	27.4
357.14804	2.1
369.10812	80.7
370.11447	8.1
371.12363	100.0
372.12564	2.0
383.12262	2.5
387.11877	2.1
399.15851	1.4
401.13428	80.7
402.13696	5.6
403.14752	1.9
414.18542	2.9
416.16348	1.5
430.17499	3.7
442.17862	7.0
446.17126	1.4
448.18527	1.5
458.17282	7.5
460.13858	2.5
460.19272	4.0
474.18005	1.5
476.18176	5.1
477.18680	2.2
492.17575	4.4
496.17130	17.7
504.17654	16.1
508.20990	6.8
518.19934	2.1
522.18634	15.2
528.19891	14.9
536.20276	85.8
537.20941	3.5
540.23053	3.7
568.22913	74.7
569.23126	2.1
625.22461	3.7
629.26080	1.9
639.24042	4.4
643.24658	4.3
657.24939	5.9
661.25665	5.3
675.26056	2.4
689.28052	1.5
707.50372	1.8
725.50928	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31111	0.3
53.11846	0.2
55.05493	0.2
57.03412	0.7
69.37176	0.2
71.04987	4.3
73.83699	0.2
75.04452	0.3
79.05476	0.3
81.07082	0.3
82.06577	0.3
83.04984	0.5
83.11676	0.2
85.02903	5.0
89.03895	0.4
91.05450	0.4
93.07053	0.3
94.06563	0.6
95.04913	0.3
96.08112	0.9
96.65313	0.2
108.08086	0.6
110.09695	1.2
116.04956	0.7
119.04916	1.1
120.08069	0.6
121.02838	0.3
122.06040	1.7
124.07591	1.6
129.05457	1.1
134.06009	0.2
136.07510	1.2
137.04741	0.7
138.05475	1.1
138.09131	1.2
140.07002	0.4
144.04456	2.4
145.02864	0.4
146.05988	0.8
147.06502	0.3
151.06273	0.6
152.07059	23.1
153.01808	3.2
153.07527	0.2
154.08652	0.6
160.03981	0.4
162.05473	1.3
164.07037	0.3
166.08638	8.6
167.05783	0.3
171.02841	0.7
172.03926	15.5
182.08131	7.4
190.04985	2.4
192.06424	0.2
194.08128	29.5
195.08475	0.5
200.09207	1.5
204.06555	27.5
205.06938	0.6
212.09172	25.3
213.09778	0.4
214.08521	0.2
217.35246	0.2
227.11787	0.2
229.04889	0.3
229.74730	0.4
241.09782	1.2
251.08348	0.3
251.11745	0.4
255.11235	0.7
259.10822	1.4
264.09076	0.3
271.06003	100.0
272.06348	4.8
273.12329	0.6
279.11206	0.3
283.10812	1.2
295.10559	0.3
297.12421	0.6
301.11859	2.4
315.13443	1.1
319.12741	2.1
323.10190	1.8
325.11847	3.6
333.14417	3.9
337.13885	0.5
339.13361	0.5
343.13058	0.5
351.15375	0.8
357.14429	4.8
358.14273	0.3
433.11105	0.9
492.17920	0.4
494.19098	0.5
508.20786	0.9
524.20392	0.9
542.21075	0.3
579.16986	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	725.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01841	1.0
55.05496	1.9
56.05012	1.0
57.03440	0.9
60.04505	1.1
63.27262	0.8
67.05481	3.4
69.03426	2.9
69.07046	2.5
69.59890	5.7
70.06602	4.6
71.04986	2.1
72.08139	1.5
74.35589	0.8
79.05480	1.5
81.03407	3.0
81.07050	2.7
82.06583	0.9
83.04990	1.7
84.08134	1.2
85.02904	5.4
85.11036	0.8
86.09708	1.3
91.05467	3.6
93.07035	3.5
95.04952	1.9
95.08600	1.9
96.08135	1.4
97.02892	2.4
97.06507	1.4
98.06047	1.1
99.04436	1.3
105.03400	1.3
105.07034	2.0
106.06527	1.0
107.04947	1.9
107.08582	1.1
108.08121	2.3
109.02843	2.2
109.10136	1.2
110.07169	1.1
110.09673	2.0
111.04456	1.2
112.05122	0.7
115.05467	0.9
119.04943	3.7
120.04495	1.1
120.08122	7.3
121.02901	1.2
121.06532	0.9
121.10132	1.1
122.06023	1.3
122.09724	0.9
124.07562	2.4
127.03920	3.3
133.02882	0.9
133.10132	1.2
135.11627	0.9
136.07581	2.1
137.05992	1.5
138.05499	5.5
138.09152	7.8
138.47931	0.8
145.02821	1.2
147.04375	4.4
147.08090	1.0
151.03923	1.6
151.07643	1.1
152.07059	3.4
153.01834	1.6
159.11763	0.8
162.05519	5.8
162.09163	1.8
163.05914	1.9
163.07451	0.8
166.08636	3.5
167.07082	2.3
168.92654	0.8
172.03932	1.1
174.09241	1.0
175.03876	3.1
176.07056	1.4
177.05388	2.0
182.08171	1.8
194.08188	2.4
204.06516	1.8
207.06525	7.2
212.09177	1.7
213.10147	1.1
223.08685	1.3
225.10301	1.2
225.53615	1.0
235.08679	1.2
236.09355	0.9
237.10225	2.4
239.11687	1.1
242.05832	2.4
249.10226	3.8
249.41023	1.0
250.11066	1.1
251.08064	1.2
251.11833	2.0
252.08665	1.0
253.09686	2.2
255.11270	1.2
265.09772	5.8
267.11325	3.2
270.05167	2.5
271.06055	12.1
271.10730	1.3
272.06305	1.4
277.09814	1.7
278.10382	4.5
279.07635	3.7
279.11258	7.0
280.08429	1.3
280.11823	1.5
281.09427	1.2
281.12781	1.3
282.09921	1.3
283.10715	1.8
285.07535	23.6
285.12253	1.5
286.07730	1.0
287.05420	1.7
293.09482	1.6
293.12866	4.6
295.10770	3.5
297.07626	1.2
297.12073	1.6
303.04849	1.6
305.09210	1.0
307.10660	2.1
309.08633	1.8
310.09406	0.9
311.10205	3.9
311.13580	1.2
313.12006	1.7
313.15613	0.9
317.06641	2.5
318.12225	1.2
321.12195	1.2
323.10229	2.0
325.11725	4.8
326.12753	1.3
328.14127	1.2
329.11276	1.9
330.12097	1.8
335.12619	1.4
338.42068	0.9
339.09641	2.0
339.13382	17.0
341.11368	7.1
342.12158	2.3
343.13171	1.5
344.14029	1.9
351.09586	2.2
353.15140	1.3
356.14105	2.0
357.14618	1.5
358.11566	1.1
358.15747	1.9
366.11801	2.0
367.12775	3.5
369.10806	13.0
369.14896	1.3
370.11551	3.5
371.12354	1.7
372.13306	2.3
374.14917	1.4
376.16818	1.1
382.11545	1.0
383.12448	1.0
384.13269	3.3
385.13898	2.2
386.15359	1.7
388.16440	2.9
391.14972	1.3
396.13501	1.1
397.13922	1.0
398.15042	1.6
399.15524	40.4
400.16721	4.8
402.14380	2.9
404.16095	6.4
414.14438	2.4
416.16357	4.4
417.16644	2.9
418.17877	1.5
419.18497	2.0
430.14044	2.3
432.15305	2.7
444.15530	3.5
445.16403	1.4
448.14810	1.5
449.14948	1.0
458.16925	3.1
461.15561	1.5
462.16479	3.0
463.17413	3.0
472.15186	1.0
476.18246	6.9
481.18936	1.0
486.16553	1.2
490.16000	2.1
494.19623	1.4
504.17535	11.0
506.19290	4.3
522.18762	4.1
536.20294	100.0
537.21069	19.8
554.21393	7.3
555.21582	1.1
556.23254	1.3
568.22772	5.7
586.23785	2.2
593.19165	2.3
597.23096	3.1
611.21106	3.8
615.23859	1.3
625.22583	2.8
629.25867	2.4
643.23950	13.1
661.24359	1.7
693.26782	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2286
Annotation	Apigenin 7-rhamnoside-4'-rutinoside
Peak:m/z	Relative Intensity
52.25348	0.0
53.03939	0.1
55.01869	0.1
55.05502	0.1
57.03193	0.1
57.03434	0.8
61.02924	0.1
65.03937	0.1
67.01862	0.3
68.99464	0.1
68.99817	0.3
69.03413	0.2
69.38746	0.2
69.39167	0.2
70.06563	0.1
70.91592	0.0
71.04990	4.2
73.02905	0.2
75.04458	0.2
76.93005	0.0
79.05479	0.1
80.05020	0.1
81.03416	0.1
82.06598	0.1
83.04982	0.4
84.08122	0.0
85.02902	5.5
87.04459	0.2
89.03898	0.1
91.05479	0.3
93.07001	0.1
94.06554	0.2
95.04922	0.1
95.08605	0.1
96.08128	0.2
97.02882	0.1
97.06520	0.1
98.21465	0.1
99.04442	0.1
108.08098	0.2
109.02837	0.1
110.09650	0.2
111.04434	0.3
116.05013	0.3
119.04939	1.1
120.08097	0.2
121.02857	0.4
122.06004	0.2
124.07578	0.4
127.03901	0.1
129.01866	0.1
129.05473	1.5
134.06015	0.0
136.07550	0.2
137.04726	0.1
138.05484	0.2
138.09100	0.2
144.04454	0.6
145.02821	0.6
145.04926	0.1
146.05992	0.2
147.04333	0.1
147.06508	0.4
148.07590	0.1
151.06294	0.1
152.07060	5.2
153.01819	3.1
153.07553	0.1
154.08620	0.1
160.03958	0.1
162.05502	0.2
163.03877	0.4
163.06036	0.1
166.08638	1.9
171.02895	0.6
172.03934	3.3
182.08124	1.4
187.03952	0.1
190.04988	0.5
194.08118	6.4
195.08391	0.1
197.05878	0.1
200.09128	0.2
203.07077	0.2
203.11751	0.1
204.06549	6.3
205.06990	0.1
207.06413	0.1
212.09166	6.1
213.10025	0.1
225.05446	0.2
229.04933	0.2
239.08977	0.1
241.09697	0.2
243.06506	0.2
247.06108	0.1
253.04901	0.1
255.11230	0.2
259.10773	0.4
270.05157	0.1
271.05994	100.0
272.06320	3.8
272.09323	0.1
273.12350	0.2
283.05887	0.1
283.10864	0.4
287.05368	0.1
297.12433	0.1
299.13791	0.1
301.11777	0.7
309.07709	0.1
313.07108	0.1
315.13269	0.3
319.12875	0.6
323.10190	0.3
325.11768	0.9
329.15051	0.1
333.14471	0.8
337.13913	0.2
339.13458	0.1
343.12906	0.1
349.13956	0.1
351.15540	0.3
357.14456	1.3
381.09784	0.1
399.10770	0.1
417.11475	0.2
433.11240	1.3
434.11896	0.1
434.17227	0.1
492.17380	0.1
506.18942	0.1
508.20615	0.2
524.20099	0.3
579.17072	5.0
580.17395	0.4
657.25122	0.1
725.22015	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	725.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	30.4
68.50101	0.9
68.96552	0.9
71.04997	1.3
71.51064	1.3
71.95275	1.1
72.84055	0.8
72.96050	0.8
81.03401	0.9
81.60966	0.7
83.56828	0.9
84.96035	8.6
85.02910	4.2
91.05476	1.8
93.07055	1.0
97.02871	1.4
98.97582	83.6
105.03368	1.8
110.97568	16.0
112.99142	3.4
116.98623	63.9
117.03387	1.4
119.04935	2.3
121.02805	1.0
124.99111	1.5
126.00671	0.8
127.00655	0.8
127.03989	1.0
128.98605	33.9
131.00195	4.1
134.99658	29.2
140.00171	3.5
140.98589	6.6
143.00145	12.1
144.98152	1.3
145.01750	2.1
145.02763	1.0
146.99644	26.7
147.04433	7.6
149.01173	2.6
152.98613	3.6
153.00710	3.3
158.01228	2.0
158.99651	35.3
159.03281	1.2
161.01227	17.9
162.99162	2.1
163.02776	1.5
165.00700	4.8
170.99651	27.5
171.03268	1.1
173.01250	3.3
174.99141	1.6
175.04036	1.0
177.00716	59.2
177.05453	3.2
179.02237	3.4
182.99651	15.0
185.01297	1.3
185.02988	1.2
189.00717	46.0
189.04337	3.0
190.98596	0.9
191.02278	2.9
195.00127	0.9
195.01772	6.7
197.04785	1.3
200.02281	3.2
201.00714	71.4
203.02286	3.3
203.05923	1.2
205.03941	1.2
207.01802	10.4
207.05377	3.6
209.03200	1.0
212.02332	3.9
213.00745	5.3
215.05908	1.1
219.01775	72.3
224.02283	2.2
229.07364	1.0
231.01727	8.8
235.10071	3.4
237.02820	39.0
239.02460	1.2
241.03790	1.1
242.03308	3.7
243.01787	22.7
247.04715	1.5
249.02765	2.1
253.11110	27.2
255.03909	3.8
255.06564	7.0
260.04602	2.1
261.02826	100.0
262.03275	2.1
267.00198	1.0
271.06055	2.9
271.12164	32.3
273.02780	7.9
276.12732	1.3
279.03882	73.3
279.08987	4.4
280.04227	1.3
284.04391	2.6
289.13425	1.8
291.00891	0.7
291.03870	16.5
295.12064	2.0
297.04825	3.7
297.10144	23.3
302.05508	6.4
309.04797	1.8
313.13275	2.3
314.05341	1.6
315.11172	23.7
320.11633	1.8
321.04944	41.5
321.09839	2.8
322.05267	1.2
332.06705	1.1
333.04971	7.9
339.11163	22.4
349.08243	1.5
351.06000	13.8
351.10477	1.9
357.12167	4.0
367.08994	1.6
369.12280	6.8
377.01944	1.1
379.09293	1.0
380.13739	1.0
381.06992	8.7
381.12112	3.9
383.06473	1.3
393.12332	2.0
399.08066	10.6
399.13232	6.5
401.07703	1.2
411.13419	2.0
423.13501	4.5
441.09073	81.4
441.14438	18.4
442.09430	2.1
443.09436	3.2
459.15433	9.5
483.15225	5.8
485.08145	34.3
501.16617	1.3
545.84747	0.9
603.19043	1.7
621.11188	1.3
621.20667	18.1
635.13892	1.0
639.21704	4.7
725.21167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2067
Annotation	Kaempferol 3-(2''-p-coumaryl-rhamnoside)-7-rhamnoside
Peak:m/z	Relative Intensity
53.03916	0.2
55.01867	0.2
55.05499	0.4
64.84538	0.1
65.03966	0.2
67.01862	0.5
67.05492	0.3
68.99813	0.6
69.03423	1.6
69.07059	0.3
69.35660	0.9
70.06593	1.1
71.04987	0.3
71.28712	0.1
71.68262	0.1
72.08145	0.2
79.05490	0.3
81.03400	0.6
81.07056	0.5
83.04974	1.5
83.08624	0.1
84.04485	0.1
84.08125	0.3
85.02906	0.8
86.09709	0.2
87.04494	0.2
91.05479	2.7
93.07040	0.5
95.04967	0.6
95.08604	0.4
97.02882	0.4
97.06541	0.2
99.04439	0.1
105.03414	0.2
105.07030	0.4
107.04942	0.6
107.08583	0.2
109.02867	0.5
109.10166	0.2
110.07183	0.2
111.04440	1.4
115.05424	0.1
116.07076	0.5
117.07003	0.1
119.04932	6.7
119.08544	0.4
120.08124	0.2
121.02866	1.1
121.06489	0.2
121.10128	0.2
123.04459	0.2
124.07559	0.1
125.05978	0.2
127.03909	0.6
129.01791	0.3
129.05466	0.3
129.07025	0.2
129.10214	0.1
131.08611	0.2
132.49750	0.1
133.06540	0.2
133.10175	0.2
137.05997	0.2
143.08543	0.2
145.02859	1.0
145.06509	0.2
145.10094	0.2
147.04402	29.9
148.04756	0.5
149.05975	0.2
151.03899	0.4
151.07498	0.2
153.01820	5.1
153.05486	0.1
159.08031	0.3
159.11653	0.2
161.05894	0.2
163.03886	0.5
165.05580	0.2
165.06944	0.1
167.06985	0.2
169.04967	0.6
169.06212	0.1
170.13005	0.1
171.02917	1.3
171.08040	0.3
173.06004	0.3
175.03900	0.4
175.44238	0.1
177.05472	0.2
181.05013	0.1
185.09602	0.2
187.07558	0.5
197.06088	0.3
203.03839	0.1
203.07133	0.3
207.06483	1.2
213.09038	0.6
215.07022	0.3
225.05429	0.5
229.04962	0.3
231.10149	0.4
243.06441	0.4
247.06055	0.2
255.13934	0.1
257.08160	0.4
270.05188	0.1
271.05994	100.0
272.06378	1.9
274.06863	0.1
275.09131	0.2
283.05911	0.3
285.07523	1.0
287.05502	0.2
293.10181	5.9
305.11224	0.2
306.80063	0.1
313.07013	0.2
381.09488	0.2
433.11285	1.3
725.35840	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
53.89833	0.1
55.01868	0.3
55.05487	0.1
57.03428	0.5
57.40614	0.1
61.02921	0.7
61.76804	0.1
64.52963	0.1
65.03941	0.1
65.12747	0.1
67.05499	0.1
68.99801	0.4
69.03431	3.1
69.37074	0.5
69.37496	0.4
70.06590	0.4
71.04993	0.4
73.02917	0.5
79.05478	0.1
80.17548	0.1
81.03412	1.9
81.07064	0.2
83.01326	0.1
84.08117	0.1
85.02908	6.9
86.09704	0.1
87.04468	0.7
91.03961	0.4
91.05495	0.2
93.07020	0.1
95.04972	0.2
95.08609	0.2
96.65763	0.1
97.02898	3.0
97.03523	0.2
99.04458	0.6
103.05449	0.1
105.03388	0.4
107.04957	0.2
108.08138	0.1
109.02876	1.4
111.00813	0.5
111.04434	0.2
115.03931	1.5
117.05544	0.1
119.04922	0.1
119.08543	0.1
120.08128	0.2
121.02000	0.2
121.02872	3.7
121.06473	0.1
127.03915	4.1
128.06203	0.1
133.02872	0.8
133.04950	0.2
133.10173	0.1
135.04445	0.2
136.07581	0.2
137.02341	0.7
145.02837	0.3
145.04955	4.0
145.06261	0.2
145.06554	0.2
147.04402	0.7
147.06752	0.2
148.07520	0.2
149.05965	0.2
151.03842	0.1
151.42580	0.1
152.07068	0.1
153.01819	3.0
157.06487	0.3
160.07538	0.4
161.05977	0.1
163.05971	0.2
165.01842	1.3
167.06979	0.2
171.02872	0.4
171.04425	0.3
175.07454	0.1
177.05498	0.5
183.02916	0.6
185.06006	0.4
189.05431	0.2
191.11604	0.1
197.06007	0.1
199.03914	0.1
201.05511	0.3
203.03421	0.1
203.07028	0.1
207.06541	0.3
213.05486	1.1
217.05038	0.2
219.06453	0.1
231.06485	0.7
241.04974	1.0
243.06435	0.2
245.04495	0.2
258.05276	0.9
259.06030	0.1
259.08209	1.5
259.10825	0.2
271.05975	0.7
277.09122	0.2
287.05496	100.0
288.05832	3.5
299.05527	0.2
311.05389	0.1
329.06583	0.7
353.06659	0.2
395.07458	0.1
403.80524	0.1
417.11392	0.2
449.10742	0.2
453.12140	0.1
545.12689	0.3
563.13898	2.1
721.89856	0.1
725.28162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
55.01863	4.1
55.05511	16.1
57.03438	14.3
57.07069	1.7
61.02907	3.2
65.03922	2.6
67.05503	27.1
69.03433	8.1
69.07066	10.8
70.06592	5.6
70.88084	2.7
70.88523	1.1
71.01347	1.6
71.04985	6.5
72.08143	2.0
73.02916	2.0
79.05495	27.6
81.03419	86.7
81.07053	27.2
81.07530	1.4
82.07347	1.3
83.01344	1.2
83.04984	11.5
83.08624	23.2
84.08126	2.2
85.02914	16.5
85.06526	3.4
91.04906	1.6
91.05482	30.2
93.07042	18.0
95.04968	30.7
95.08604	15.8
96.08932	1.5
96.58114	1.0
97.02893	6.4
97.06553	5.4
97.10156	7.3
99.04456	2.7
99.08107	2.0
105.01864	1.6
105.03394	2.1
105.07032	25.4
106.07362	1.3
107.04961	10.5
107.08598	15.6
109.02877	4.7
109.06513	5.1
109.10159	14.0
110.10524	1.5
111.04440	4.4
111.08100	8.4
113.06005	1.9
115.05446	1.6
116.07077	1.3
117.07020	4.0
119.04950	3.6
119.08582	21.8
120.08938	1.5
121.02850	1.9
121.06499	6.5
121.10140	14.9
122.10407	1.7
123.04398	2.3
123.08067	4.4
123.11700	4.3
125.05959	1.9
125.09626	6.8
127.03922	4.2
129.06987	14.1
131.04893	1.9
131.08582	13.6
133.02838	1.1
133.06490	3.4
133.10138	13.9
134.10527	1.3
135.08054	1.9
135.11690	4.9
135.47070	1.0
137.06009	1.8
137.09598	3.4
139.11142	1.9
142.07758	3.8
143.08525	3.0
145.06487	4.8
145.10097	7.7
146.10448	1.3
147.04478	2.5
147.08052	5.9
147.11697	12.8
149.09651	9.7
149.13243	1.1
151.03909	1.6
151.11182	2.5
153.09071	1.5
153.12691	1.3
157.06534	1.3
157.10129	12.0
159.08084	1.7
159.11662	2.1
161.06050	2.2
161.09599	2.0
161.13271	2.5
163.11182	5.0
165.09062	2.2
165.12737	2.7
167.07066	1.1
171.08086	1.9
171.11665	2.4
173.09586	3.1
173.11827	2.3
175.03897	3.1
175.11182	15.3
177.05504	1.9
181.12250	1.5
184.07376	1.6
187.11230	1.2
187.14793	1.5
189.11229	1.9
191.10703	2.3
193.12257	31.3
197.13292	1.4
199.13258	1.6
203.18007	1.4
207.06508	5.5
209.11673	2.0
211.13277	17.5
217.85942	1.3
227.12778	3.4
229.14326	5.5
233.03783	1.4
233.15411	1.8
249.14894	2.4
255.13812	3.3
267.15915	100.0
268.16180	1.3
269.15359	1.2
271.06012	3.9
273.14819	3.3
283.15448	5.8
285.16949	17.4
297.12112	1.2
301.16559	2.0
315.13452	1.6
339.23386	1.5
349.21567	3.3
352.06015	1.3
367.22684	8.6
385.23691	11.9
403.24823	2.8
405.24539	1.3
433.25824	13.3
437.25223	2.4
441.26324	6.2
457.36816	2.4
458.36890	4.6
459.27426	67.7
460.27527	2.0
476.18365	2.2
477.28491	43.7
509.27417	1.3
519.29688	1.5
527.28400	3.4
724.41992	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	724.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.7
53.03936	1.6
55.01876	3.7
55.05268	1.0
55.05516	10.9
57.03449	4.5
57.42265	0.7
59.04988	0.8
61.02928	5.3
67.05508	19.8
69.03442	6.6
69.06726	1.1
69.07072	14.0
70.06596	2.6
71.04993	2.7
71.52567	1.3
73.02896	1.5
79.05497	14.5
81.03422	8.8
81.07062	19.5
83.05003	4.1
83.08635	5.3
84.08129	0.6
85.02908	7.2
85.06555	2.5
86.09728	1.0
86.22179	0.8
91.03948	3.3
91.04972	1.2
91.05486	13.2
93.07047	11.8
95.04961	5.6
95.08614	9.9
97.02892	8.6
97.06519	2.8
97.10170	7.2
99.04472	0.8
102.44038	0.8
103.70753	0.7
105.01981	0.7
105.03407	2.0
105.07036	13.2
107.04939	5.1
107.08591	12.3
109.02868	1.9
109.06516	2.7
109.10159	13.7
110.10526	0.8
111.04438	1.2
111.08049	2.9
117.07004	3.5
119.04929	1.1
119.08595	9.1
121.06489	3.9
121.10147	5.3
121.86372	0.6
122.10390	0.7
123.04420	1.0
123.08104	3.8
123.11691	3.4
125.06005	0.8
125.09623	5.8
127.03929	2.8
127.07595	1.5
129.07018	2.5
131.08572	6.1
133.06480	3.2
133.10124	16.1
135.04395	0.7
135.08057	3.6
135.11687	3.9
137.05931	3.5
137.09590	2.1
142.07776	0.9
143.08559	3.6
145.04935	2.3
145.06499	1.1
145.10126	4.3
147.04420	1.2
147.08072	4.6
147.11685	3.2
149.09653	3.6
149.13287	2.3
151.11201	6.5
155.08516	0.7
157.10150	1.8
159.08080	1.0
159.11710	2.2
161.09619	2.0
161.13373	1.0
163.11174	3.0
165.09151	1.7
165.12761	1.2
171.11710	1.8
175.03943	0.9
175.11180	2.8
177.09152	1.3
179.10632	0.8
181.10059	0.8
184.07451	0.9
185.13229	1.2
189.11221	2.1
189.12756	1.5
193.12265	3.5
205.12251	1.8
211.13284	1.5
215.12749	1.3
223.13312	9.3
227.12808	3.7
227.17952	0.9
229.14297	1.2
245.19043	1.5
249.14836	1.1
253.14313	8.6
255.17412	0.8
263.20282	0.9
267.16016	2.2
269.14035	0.9
271.06009	2.5
271.15424	3.3
273.18509	8.7
283.15387	1.3
285.16916	8.2
291.19559	44.6
292.19901	2.4
347.22183	5.1
365.23242	100.0
366.23590	4.8
429.21307	0.9
440.35883	1.6
477.28180	1.1
485.65704	0.9
509.27194	1.1
527.28265	3.7
596.46051	0.8
702.26575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15887	0.9
55.01853	1.3
55.05510	7.9
57.03429	1.0
57.07062	3.1
59.04967	2.0
60.34203	0.9
65.03929	2.0
67.05504	17.3
69.03422	2.6
69.07063	5.7
71.04966	2.3
71.51633	1.0
73.06506	1.0
73.32719	0.8
75.80984	0.8
79.05499	4.4
80.05018	0.8
81.03403	2.0
81.07061	6.1
83.01330	1.5
83.04968	1.3
83.08605	3.3
85.02888	3.7
85.06548	10.4
91.05495	5.8
91.27432	0.9
93.07038	4.1
95.04944	2.7
95.08620	5.7
97.02844	1.3
105.01840	3.0
105.07003	2.9
107.08590	4.5
109.10152	9.2
111.11719	1.3
113.99979	0.9
116.26887	0.9
118.98087	1.1
119.04896	1.9
119.08562	2.3
121.10141	4.3
123.11671	1.4
125.09612	1.4
127.00244	0.9
127.03936	1.2
128.52216	0.8
131.04955	6.6
131.08502	1.4
133.10118	2.6
133.42749	0.9
135.11702	2.2
139.11169	0.9
143.08635	1.2
145.04999	1.0
145.10161	1.5
147.04399	9.4
147.11674	2.1
149.09537	0.9
155.08514	1.0
157.10120	1.5
159.04408	8.0
159.07999	1.0
163.03923	4.8
173.06017	2.1
173.11682	1.7
175.03909	100.0
176.04301	2.0
177.05460	10.6
183.08159	1.2
185.06018	0.9
187.03925	29.2
187.07486	2.7
189.05476	9.0
189.16417	1.1
195.08089	1.2
198.06842	1.6
199.03925	8.2
199.07523	2.6
201.05447	5.5
203.03416	4.9
203.06992	3.4
211.07689	1.4
213.05457	3.4
213.09169	1.8
215.07004	3.1
216.06519	1.4
217.04892	2.2
217.08586	2.7
226.06224	7.9
227.06984	1.9
228.07921	2.1
229.08604	28.7
229.14368	2.9
231.10141	9.0
237.59676	0.9
239.07034	1.7
241.08598	27.8
241.88480	1.1
243.10164	22.6
245.07942	5.0
247.09663	65.7
248.10040	1.5
253.08487	1.7
255.10295	5.1
259.09674	8.3
265.10803	1.2
266.80612	1.0
268.88876	0.9
271.05997	1.2
271.09454	1.6
273.11377	1.1
283.15259	1.3
295.13327	9.5
297.25751	1.0
301.16724	1.4
313.14325	38.3
331.11484	1.9
331.15421	36.9
332.15564	1.5
341.28333	4.7
349.16492	1.7
359.29358	2.9
383.78989	1.0
423.35995	2.0
444.71774	1.0
527.31647	1.2
542.51385	1.0
562.40894	4.9
679.30914	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15887	0.9
55.01853	1.3
55.05510	7.9
57.03429	1.0
57.07062	3.1
59.04967	2.0
60.34203	0.9
65.03929	2.0
67.05504	17.3
69.03422	2.6
69.07063	5.7
71.04966	2.3
71.51633	1.0
73.06506	1.0
73.32719	0.8
75.80984	0.8
79.05499	4.4
80.05018	0.8
81.03403	2.0
81.07061	6.1
83.01330	1.5
83.04968	1.3
83.08605	3.3
85.02888	3.7
85.06548	10.4
91.05495	5.8
91.27432	0.9
93.07038	4.1
95.04944	2.7
95.08620	5.7
97.02844	1.3
105.01840	3.0
105.07003	2.9
107.08590	4.5
109.10152	9.2
111.11719	1.3
113.99979	0.9
116.26887	0.9
118.98087	1.1
119.04896	1.9
119.08562	2.3
121.10141	4.3
123.11671	1.4
125.09612	1.4
127.00244	0.9
127.03936	1.2
128.52216	0.8
131.04955	6.6
131.08502	1.4
133.10118	2.6
133.42749	0.9
135.11702	2.2
139.11169	0.9
143.08635	1.2
145.04999	1.0
145.10161	1.5
147.04399	9.4
147.11674	2.1
149.09537	0.9
155.08514	1.0
157.10120	1.5
159.04408	8.0
159.07999	1.0
163.03923	4.8
173.06017	2.1
173.11682	1.7
175.03909	100.0
176.04301	2.0
177.05460	10.6
183.08159	1.2
185.06018	0.9
187.03925	29.2
187.07486	2.7
189.05476	9.0
189.16417	1.1
195.08089	1.2
198.06842	1.6
199.03925	8.2
199.07523	2.6
201.05447	5.5
203.03416	4.9
203.06992	3.4
211.07689	1.4
213.05457	3.4
213.09169	1.8
215.07004	3.1
216.06519	1.4
217.04892	2.2
217.08586	2.7
226.06224	7.9
227.06984	1.9
228.07921	2.1
229.08604	28.7
229.14368	2.9
231.10141	9.0
237.59676	0.9
239.07034	1.7
241.08598	27.8
241.88480	1.1
243.10164	22.6
245.07942	5.0
247.09663	65.7
248.10040	1.5
253.08487	1.7
255.10295	5.1
259.09674	8.3
265.10803	1.2
266.80612	1.0
268.88876	0.9
271.05997	1.2
271.09454	1.6
273.11377	1.1
283.15259	1.3
295.13327	9.5
297.25751	1.0
301.16724	1.4
313.14325	38.3
331.11484	1.9
331.15421	36.9
332.15564	1.5
341.28333	4.7
349.16492	1.7
359.29358	2.9
383.78989	1.0
423.35995	2.0
444.71774	1.0
527.31647	1.2
542.51385	1.0
562.40894	4.9
679.30914	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01866	0.4
57.03423	0.5
68.99819	0.3
69.03429	2.3
69.23884	2.3
70.06591	2.0
71.04990	0.3
72.08157	1.1
74.06060	0.4
74.31280	0.2
79.05494	0.3
81.03423	1.7
84.04500	0.4
84.08136	0.7
85.02896	2.7
86.06075	0.3
86.09719	1.0
96.75140	0.3
96.81013	0.3
97.02892	2.3
107.04960	0.5
108.30877	0.3
109.02866	1.7
111.04430	0.4
116.03842	0.2
119.04977	0.5
125.05999	1.4
127.03917	1.3
129.10246	0.9
132.04451	4.6
135.04428	0.5
136.07610	0.4
137.05969	0.5
138.03127	0.4
139.18481	0.2
140.07074	0.3
141.05418	0.5
142.79282	0.3
145.04982	0.3
153.05466	25.2
160.03940	0.3
167.07077	0.7
172.29077	0.2
177.05478	0.5
178.04990	49.5
179.05321	0.6
187.06018	1.0
187.07561	0.2
195.06531	35.5
206.04482	100.0
207.04808	1.2
207.06589	0.5
213.07628	0.6
339.10733	0.3
368.09583	0.9
416.09564	0.4
562.15540	18.9
563.15356	0.4
645.80664	0.3
653.62744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55815	1.2
53.03948	3.8
55.01861	4.9
55.05499	9.3
57.03424	1.8
57.07073	5.4
61.02935	2.4
65.03926	1.8
67.05505	24.4
69.03431	14.3
69.07067	16.6
71.04984	5.6
73.02915	2.2
79.05489	11.5
81.03424	12.5
81.07056	38.7
83.08630	11.4
85.02908	29.8
87.00825	14.1
91.05476	9.3
93.07050	21.3
95.05010	2.3
95.08610	76.4
97.02888	10.5
97.06522	3.1
97.10149	4.1
99.04504	7.4
99.08077	6.7
105.01864	17.5
105.07028	27.1
107.08593	49.2
109.02892	15.2
109.06492	3.2
109.10159	71.4
111.08111	2.5
111.11712	3.9
113.09649	23.8
119.08588	31.2
121.06496	1.4
121.10143	38.8
123.08066	2.9
123.11704	39.9
125.09626	7.3
127.03906	23.1
131.08566	3.9
133.10138	40.7
135.11682	23.2
137.09575	1.4
137.13266	16.1
139.11186	15.9
141.09088	16.0
143.08582	1.5
145.04991	9.6
145.10135	6.3
147.11687	27.8
149.09572	1.5
149.13258	25.2
151.11200	27.6
151.14845	11.3
151.57632	1.4
157.10132	1.9
159.02898	7.3
159.10368	2.5
159.11705	7.4
161.13277	18.7
163.14832	17.3
165.09071	2.0
165.12735	3.7
165.16402	3.4
167.14252	2.1
173.13304	6.8
175.14900	8.9
177.16412	10.3
179.14267	2.6
179.18037	2.3
187.11165	2.2
187.14793	4.8
188.33098	1.4
189.16405	9.2
191.17917	6.2
193.15919	2.7
199.14877	2.4
201.16393	6.4
203.14281	1.5
203.17963	21.1
205.19545	3.8
215.17892	3.9
217.19513	8.3
229.19551	5.9
231.05019	6.2
231.20981	1.7
236.08900	1.6
240.31396	1.7
243.21136	3.9
247.20651	1.7
249.06105	3.9
261.18680	1.7
265.18115	2.8
273.25784	2.9
275.46179	1.4
279.19562	3.0
299.27350	47.1
299.30716	3.2
301.21622	1.6
305.21033	3.3
307.22580	1.5
313.25504	1.4
317.28384	43.8
427.03317	1.5
439.35699	10.2
457.36789	100.0
458.37024	3.5
475.37881	27.2
705.40955	2.6
729.35101	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
54.86635	0.7
55.01871	1.6
55.05503	1.2
57.03427	1.2
59.56858	0.7
61.02914	1.1
67.05492	2.9
69.03425	4.4
69.07066	1.4
69.26377	8.0
70.06587	2.9
71.04984	1.8
72.08148	1.6
75.88486	0.8
79.05474	3.0
79.70525	0.8
81.03412	4.3
81.07052	3.8
83.04961	1.9
84.08124	0.9
85.02905	3.7
85.06525	1.2
86.06061	1.0
86.09737	1.7
87.00787	0.8
91.05482	5.3
93.07046	4.2
94.06573	1.4
95.04977	2.2
95.06063	0.8
95.08607	2.4
97.02896	2.4
97.06503	0.9
98.20789	1.8
99.04463	1.2
103.05450	1.7
105.03384	4.2
105.07001	4.0
106.03685	1.1
107.04958	1.9
107.08591	2.7
108.08104	2.3
108.81510	0.7
109.02863	3.2
109.06507	0.9
109.10152	2.7
116.05003	1.0
116.10714	0.7
117.07020	0.8
119.04939	3.6
119.08578	2.7
120.08142	1.7
121.06506	1.6
121.10136	2.2
122.06025	1.6
123.08068	0.8
123.11690	1.2
124.07609	1.5
125.06005	0.9
125.09598	0.9
127.03927	4.5
129.06950	1.1
129.10207	1.2
131.08568	1.3
132.08075	1.5
133.06516	1.0
133.10120	2.4
135.04428	1.5
135.08072	1.1
135.11700	1.3
136.03986	1.1
136.07582	8.0
137.05977	1.3
137.09660	1.0
138.09146	1.0
144.04424	2.4
144.08148	1.0
145.10101	1.9
146.06015	2.2
147.04419	3.7
147.11746	1.2
148.07584	0.8
149.09608	1.1
150.05434	1.4
151.03923	1.0
152.07050	1.5
154.05008	3.0
155.44621	0.7
157.10104	0.9
159.11636	1.0
160.03850	0.8
160.07524	1.8
162.05505	2.4
162.09158	2.5
163.11133	1.3
164.07001	1.5
165.09132	1.1
166.08632	1.3
167.07034	2.1
172.03931	11.7
172.07555	0.9
173.09555	0.9
174.09106	1.0
175.03886	4.8
178.08690	0.9
181.05064	1.1
188.07106	0.9
190.05014	1.2
192.06461	1.1
199.08716	1.3
201.05412	1.0
201.10324	1.1
202.08681	1.4
204.06564	23.0
204.08487	1.4
205.12199	1.1
207.06523	12.6
213.04118	1.3
213.06512	0.9
215.10602	1.7
218.04347	1.3
220.09662	1.3
226.10765	1.2
227.08168	1.8
229.09831	2.1
234.07657	1.9
241.09645	1.3
245.09152	2.4
248.09178	11.7
249.10030	1.6
258.09821	1.1
259.10825	2.2
262.10669	0.9
269.09204	1.0
269.12732	0.8
271.06055	1.3
274.07004	1.3
275.07898	1.0
276.08688	1.4
278.06604	3.1
279.07568	1.6
280.11713	7.9
285.07571	3.7
287.10199	7.5
293.09152	1.9
301.11792	3.6
303.09714	1.9
305.11334	4.1
306.09686	8.6
325.11514	2.0
327.13516	1.6
332.13751	3.0
333.54950	0.8
350.14600	1.6
355.12808	1.0
357.14450	2.6
366.17825	0.8
368.10181	1.0
381.10944	1.6
382.11856	1.2
384.13330	1.5
387.15372	1.8
396.13708	1.3
400.12863	1.0
414.14316	0.9
418.13284	1.0
428.12192	1.6
430.14096	1.3
441.13605	1.0
442.13733	1.5
456.15729	1.7
474.16544	1.2
475.17868	0.9
484.15640	1.0
488.17892	1.1
490.14862	0.9
502.16003	1.8
506.19214	1.0
516.17578	1.2
534.18622	9.3
566.21313	100.0
567.21533	5.0
723.36749	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	723.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84982	1.0
53.03937	1.7
57.63944	1.0
67.05505	2.1
67.60563	1.0
69.03423	2.0
69.07071	1.9
70.06592	6.8
71.05003	2.2
71.53747	1.6
72.08152	2.3
79.05482	2.8
80.04987	1.2
81.03407	4.2
81.07053	3.8
83.04970	1.5
84.08144	3.4
85.02889	4.3
86.09697	2.0
91.05484	5.5
92.05788	1.2
93.07050	4.6
94.06570	2.1
95.04990	2.1
95.07359	2.7
95.08593	2.1
96.08150	4.1
97.02866	3.2
97.06535	1.3
99.04462	2.5
100.11240	1.7
103.05495	1.3
105.07021	2.1
107.04960	2.2
107.08578	2.1
108.08123	5.3
109.02882	3.2
110.09681	8.9
110.77639	1.1
114.55682	1.0
116.10762	1.4
119.04932	4.4
119.08575	1.7
120.08131	7.2
121.02856	2.9
121.06474	1.7
122.09707	1.3
125.09531	1.1
126.09202	1.8
127.03908	3.7
131.07338	2.0
133.06488	1.1
133.10129	1.1
136.07585	5.8
137.06047	1.3
138.09149	15.2
145.10135	2.4
146.09654	4.5
147.04387	4.4
148.04855	1.8
148.07596	2.6
150.09169	1.6
151.03970	1.4
160.07529	1.4
162.05524	1.3
163.07535	1.9
164.07059	1.6
166.08647	10.3
166.91933	1.0
167.07106	1.4
167.08742	1.1
173.09642	1.4
174.09113	5.7
175.03864	5.3
182.08139	1.3
182.09680	1.3
187.11215	1.9
191.07025	3.2
197.10841	1.2
199.08701	1.8
207.06519	9.3
208.06931	3.2
210.14899	1.8
213.06589	6.1
215.10695	1.3
220.09708	12.0
223.08717	5.3
224.09407	2.5
225.10291	8.1
227.08215	5.7
228.08743	1.2
234.11211	2.0
235.08560	1.9
237.06566	3.1
237.10289	2.2
239.08151	4.2
239.11826	1.7
240.09181	1.1
241.05905	1.4
241.09700	2.8
243.11261	4.2
249.10081	2.9
250.07147	1.4
251.08171	11.1
252.08878	6.4
253.09720	14.5
254.10512	2.7
255.07597	1.5
263.08060	3.1
264.08990	1.4
265.06219	1.3
265.09732	4.7
266.10559	2.2
267.07693	5.6
267.11316	15.4
269.09122	2.7
270.10092	1.3
271.06058	3.9
271.10690	1.9
277.09601	2.1
279.07651	24.1
279.10681	1.8
280.08420	9.4
281.09232	25.0
282.09998	3.8
283.06500	1.0
283.10730	1.3
287.05402	1.7
293.09247	4.5
294.09729	1.8
295.07413	1.3
295.10776	25.3
296.11536	5.2
297.08676	2.2
299.10245	2.1
305.09091	1.6
307.07193	5.0
307.10635	2.0
308.07889	2.3
309.08765	12.6
309.12177	2.0
310.09351	6.1
311.06302	1.7
311.09998	2.2
313.07901	1.3
313.11777	3.1
315.09735	24.5
315.13361	1.5
316.37717	1.6
321.08716	1.5
322.09225	1.8
323.10251	4.5
324.11090	2.3
325.08163	2.8
325.11819	12.8
326.09012	4.2
327.09668	3.4
328.10458	1.5
335.06552	2.9
339.09619	3.5
341.11325	46.6
342.11981	1.6
343.12695	1.2
347.12427	13.1
351.09717	5.2
354.12473	1.2
355.12881	3.4
356.14331	1.6
358.11783	1.7
358.15833	1.3
368.10022	37.4
369.10815	100.0
370.11432	3.2
371.12375	2.7
383.12473	1.6
387.11847	21.5
387.16428	2.0
388.12473	2.4
397.13284	1.4
400.12653	14.5
400.17245	0.9
401.13446	91.7
402.14075	3.7
414.14651	1.6
416.12021	1.8
430.13870	2.4
446.17139	2.1
476.14520	4.5
488.18173	3.2
494.15488	3.1
502.16089	2.4
506.19299	1.8
508.16986	7.3
516.17609	1.2
526.18164	2.7
534.18738	26.3
536.19867	2.3
538.22198	2.5
548.20313	3.8
549.20007	2.4
566.21332	95.2
567.22192	5.7
568.22864	2.1
584.22058	1.7
641.21533	1.6
655.23322	3.1
666.33191	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79319	0.8
54.98650	0.7
56.93514	0.8
56.96563	28.1
68.96565	0.8
70.26952	1.4
70.27317	2.7
71.95240	1.2
83.99208	0.7
84.96027	8.2
85.02924	0.8
91.05437	0.9
98.21470	0.9
98.97577	65.6
99.71942	0.7
102.97071	1.6
105.03372	2.2
110.97564	11.8
115.00701	2.6
116.98621	50.3
119.04910	1.2
124.99107	0.8
127.00662	1.2
128.98602	24.1
131.00157	3.4
133.01709	2.6
134.99654	25.5
140.00163	2.1
140.98573	3.6
141.02292	0.7
143.00153	10.9
144.98146	0.8
145.01758	1.5
145.02802	1.6
146.99654	19.9
147.04376	4.8
149.01221	2.5
152.98579	1.9
153.00693	2.4
155.00153	1.1
158.01231	2.5
158.50868	0.7
158.99648	36.2
159.03235	1.6
160.99969	1.3
161.01227	15.5
165.00726	4.1
170.01181	0.8
170.99643	24.3
171.03334	0.9
173.01163	2.5
174.99231	1.1
177.00708	50.9
177.05486	3.7
179.02274	3.3
182.99637	12.1
183.03293	1.0
185.04858	0.9
189.00716	42.1
189.04305	1.7
190.92529	0.9
191.02261	3.2
192.18532	0.8
194.99918	1.3
195.01772	6.7
200.02313	4.5
200.32753	0.9
201.00710	59.8
202.01199	1.0
203.02228	1.3
207.01768	9.7
212.02225	1.5
213.00702	5.5
213.04289	1.0
217.03951	1.0
219.01765	66.5
220.02122	0.9
224.02303	3.6
225.04384	1.2
225.07961	3.2
229.07434	1.7
230.03149	0.9
231.01772	10.6
233.03328	1.0
233.08540	2.2
237.02803	33.5
237.05173	1.9
239.02057	1.2
242.03424	2.8
243.01756	23.7
243.08904	1.2
249.02635	1.9
249.08049	1.8
251.09563	16.7
253.07428	0.9
255.03815	2.4
257.03192	1.2
259.06458	1.7
260.04358	1.5
261.02808	100.0
262.03088	1.3
267.09067	2.6
269.10590	21.5
273.02759	5.7
277.07465	18.1
279.03867	70.0
280.04208	0.9
284.04327	1.7
285.10089	1.1
287.11664	5.9
291.03833	17.0
293.10596	4.8
295.08539	26.0
297.04880	3.0
302.05435	7.5
305.12695	1.2
309.05042	1.9
311.11554	5.1
313.09586	27.4
314.09744	1.2
318.10229	1.3
321.04913	38.3
331.10632	6.7
332.06339	1.1
333.04858	6.3
334.13336	1.0
336.11121	1.3
337.09604	6.8
338.68021	0.8
351.05933	12.3
353.12616	1.3
355.10767	6.4
361.09274	1.0
367.10117	2.3
379.10617	1.5
381.07034	9.6
385.11520	1.0
395.13669	1.0
397.11331	1.9
399.08191	12.2
422.09491	1.6
427.21356	2.6
439.12753	4.9
441.09158	84.9
442.09787	1.0
457.13812	4.4
471.20465	4.2
485.08124	37.8
499.14810	1.2
515.19574	1.4
525.09943	0.8
533.20245	3.4
557.40198	1.0
619.19012	17.8
620.19275	1.2
637.20264	7.9
730.65692	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92587	0.6
52.76264	0.5
57.58479	0.5
58.40126	0.6
61.13683	0.5
61.93604	0.6
64.48878	0.6
71.26925	1.1
74.91566	0.6
76.60814	0.5
101.92947	0.6
110.53714	0.5
118.06531	0.5
120.08126	0.5
126.49094	0.5
138.92090	0.5
154.38559	0.6
195.09120	0.8
204.06599	1.2
208.09891	0.7
209.10771	1.1
210.11584	0.7
211.08577	0.7
211.12323	1.0
212.13074	0.6
221.10744	0.9
223.08725	0.9
223.12341	2.1
224.13026	0.8
225.10356	1.3
225.13840	3.4
226.14671	1.1
228.32735	0.7
235.12294	1.3
237.10194	0.8
237.13864	2.6
238.14610	0.7
247.12274	0.6
248.09462	0.6
249.10023	0.6
249.13895	2.2
251.08192	3.2
314.12827	0.6
326.12796	0.7
338.16779	0.6
354.16116	0.6
368.14017	0.9
369.13419	0.6
389.17593	1.1
390.18939	0.5
399.19659	0.8
403.15601	2.0
405.20929	1.2
412.16541	0.7
416.16876	1.2
417.16815	4.5
418.17746	3.0
419.18222	1.1
427.18774	0.8
431.18637	1.9
432.19644	3.3
433.20001	6.2
434.20880	0.7
445.16742	2.5
447.21945	15.1
448.22171	1.8
459.22107	1.6
461.19290	0.9
474.20621	1.3
475.21246	27.7
476.21802	6.4
487.21283	1.4
489.22949	1.2
491.20831	0.7
493.21655	0.8
503.20166	3.5
507.23804	0.8
515.20447	0.8
519.23846	1.3
533.25580	0.9
534.26538	1.2
535.23346	17.9
536.23560	1.6
547.23322	3.7
549.25128	2.0
561.25006	8.0
562.25848	4.5
563.26520	3.0
590.24487	1.3
607.25482	1.8
621.26984	11.3
622.27832	100.0
623.28107	6.9
719.45239	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.7
55.03405	0.6
56.23553	0.8
56.96554	1.0
57.03424	1.2
60.04528	1.0
61.02927	1.4
69.03386	1.0
69.77591	4.6
70.06595	4.2
72.08160	1.3
73.02905	0.8
81.03434	1.1
82.06574	11.7
84.08146	1.7
85.02901	3.3
88.04006	4.5
91.05519	0.8
94.04205	0.8
94.06596	1.1
95.04978	1.0
95.38524	0.7
97.02955	1.1
100.07633	1.5
103.03908	0.8
105.09156	0.8
107.04974	2.5
109.02863	1.4
111.04500	1.0
116.07157	1.0
119.04968	1.4
121.02869	25.5
125.09422	0.7
127.03932	1.1
128.07077	24.1
131.04924	1.1
133.06506	0.8
136.07492	0.8
141.69066	0.7
142.70497	0.9
147.04425	3.3
149.05933	0.8
152.05707	1.0
157.06496	0.9
158.07295	2.3
159.08040	4.8
159.28142	0.8
175.03886	1.1
177.05585	1.6
181.44543	0.7
185.05959	0.8
189.01888	1.3
191.03424	2.4
195.02924	2.2
197.05923	1.0
198.09293	1.1
200.10725	10.3
203.03485	1.6
205.05038	0.9
207.02921	3.5
217.04945	0.9
219.02968	3.4
225.04056	1.8
231.02950	2.1
233.04538	1.6
235.02553	1.0
239.06961	0.8
245.04449	1.0
250.54323	0.8
261.04041	1.7
269.10355	0.9
273.04013	2.6
283.05981	1.1
285.03992	1.8
291.04977	1.0
295.05908	4.5
296.06906	1.0
303.05161	0.7
303.10138	1.3
305.08228	2.1
306.05112	0.9
306.08948	1.1
307.06061	2.2
315.10114	1.2
316.07309	1.2
317.08109	8.0
318.08908	1.9
319.06015	2.9
319.09763	5.1
320.10226	1.6
321.07480	2.7
323.09320	1.6
325.07144	2.1
329.07962	4.0
330.08807	1.2
331.06116	2.1
331.09747	5.0
333.07611	2.4
334.08466	1.7
335.09045	7.1
337.07022	2.1
337.10757	1.5
341.07986	1.1
343.09497	3.6
344.06866	0.8
344.10452	1.7
345.07516	2.4
345.11121	1.8
346.08102	1.0
347.09134	16.5
347.13077	0.9
349.07208	2.4
349.10992	1.5
351.08643	1.7
355.09518	1.1
357.07483	1.9
357.11417	1.8
359.09097	8.8
359.12863	1.2
361.07040	2.1
361.10898	3.8
363.08673	1.7
363.12689	0.9
365.10199	2.8
367.08987	0.9
369.07358	1.0
369.11462	1.2
371.08746	3.6
373.10831	3.1
375.08606	2.4
376.11948	1.6
377.10202	16.2
379.07870	1.0
379.12131	1.7
383.08777	1.7
385.10910	2.1
387.08157	1.7
387.12805	3.7
388.11929	1.7
389.09970	4.0
391.08054	1.9
391.12619	1.0
397.10876	2.2
399.08444	1.9
401.10193	10.4
403.07788	1.5
405.09848	1.4
406.13107	1.7
407.11307	2.6
409.09451	1.2
413.10297	5.4
415.12469	4.0
417.09613	1.2
418.12964	5.2
419.11429	1.2
421.09183	1.2
422.12469	2.0
425.10352	2.6
429.09561	0.9
431.11227	5.2
436.14035	6.5
442.12851	2.4
443.11334	8.2
448.13791	1.7
449.12692	1.0
452.13458	2.3
455.11694	1.3
456.14853	0.8
459.10730	1.1
460.13840	4.0
461.12241	6.6
466.15094	1.4
467.10788	1.0
472.14188	1.2
475.10242	0.9
479.13654	4.3
481.12302	1.0
482.14383	6.0
484.14041	1.4
485.12289	1.6
490.15186	1.8
502.14951	3.6
506.14435	1.9
520.15948	6.1
520.77069	0.9
527.13361	1.0
530.14264	0.9
536.07977	1.0
536.15088	3.7
538.16809	3.6
545.14844	1.5
556.18250	1.5
566.16504	5.8
568.16779	1.0
584.17560	25.7
584.26923	1.7
602.18701	37.9
603.19171	1.9
608.17694	1.5
614.18323	1.5
622.20184	1.4
626.18427	2.9
632.19775	1.7
638.18658	1.8
640.20325	1.3
650.18567	1.7
656.19244	2.1
658.21179	2.0
668.19653	5.2
676.21503	1.1
686.20587	10.5
704.21826	44.1
705.21887	2.0
722.22845	100.0
723.23517	5.3
729.40887	1.0
747.14374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05465	1.3
57.03403	0.5
67.05514	2.9
69.03384	0.6
69.07030	0.9
79.05443	1.7
81.03377	1.6
81.07051	2.5
85.02848	0.8
87.04440	0.5
91.05435	1.8
93.06977	1.7
95.04950	0.8
95.08555	2.1
97.02853	0.9
97.06498	0.6
97.10120	0.5
99.04417	0.5
105.03355	0.5
105.06982	1.7
107.08527	1.4
109.10168	2.4
117.06966	0.9
119.08532	1.5
121.06381	0.6
121.10119	1.1
125.09582	0.6
127.03890	0.5
129.06903	0.6
131.08501	1.3
133.10068	1.2
145.10074	0.8
147.11650	0.8
157.10019	0.9
159.11679	0.9
160.28741	0.5
163.11076	0.6
181.94742	0.5
198.02798	1.9
199.14815	0.5
227.03143	3.0
227.12610	0.8
229.14075	0.6
230.01851	0.8
268.07068	0.6
275.20157	0.5
286.08066	1.7
287.08878	0.8
344.85696	0.5
353.13528	1.9
357.13766	0.5
371.14661	63.6
372.14990	3.3
453.33362	0.7
557.35162	0.7
714.20026	0.5
719.30322	100.0
720.30762	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	717.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05161	0.5
55.05507	0.9
58.45859	0.6
67.05506	1.9
69.03427	1.0
69.07079	0.9
70.25758	1.6
70.26157	1.1
79.05496	1.3
80.30312	0.6
81.03429	0.9
81.07058	1.6
83.08624	0.8
85.02863	0.7
91.05512	1.9
93.07079	0.8
95.04935	1.1
95.08605	1.3
97.02878	0.7
105.07025	0.9
107.08579	1.0
109.10193	1.0
119.08585	0.9
121.10174	1.0
123.11721	0.9
131.08621	0.8
145.10139	0.7
158.06035	1.0
159.11757	0.7
182.09732	0.7
199.14922	0.6
200.10765	3.3
243.05211	0.6
258.07645	5.6
264.36411	0.6
286.07068	4.1
420.51492	0.7
451.32062	5.4
469.33322	1.4
518.18195	5.3
527.82788	0.6
717.26697	100.0
718.27197	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	717.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34201	0.7
55.05513	1.4
59.42526	0.7
67.05514	3.4
69.07065	1.3
69.36111	0.7
71.88062	0.7
79.05051	0.6
79.05468	1.6
81.03422	2.3
81.07076	2.4
85.02912	0.9
88.17567	0.8
91.05480	2.6
93.07043	2.3
95.05007	0.9
95.08603	2.0
105.03406	1.0
105.07063	2.1
105.66278	0.7
107.08585	1.0
109.10148	1.5
118.06501	0.8
119.08557	1.7
120.04498	2.0
121.10160	1.4
130.06538	2.7
132.04466	1.5
133.10150	1.0
145.10080	0.9
146.06042	0.9
157.10077	0.7
158.06023	8.6
158.09660	0.9
159.06781	0.7
159.08128	0.9
171.11778	1.1
172.07660	0.9
172.11230	0.9
182.09662	2.6
184.07602	0.8
200.10716	19.5
202.08702	0.8
202.27904	0.7
215.05867	1.9
242.08159	0.9
243.05354	3.1
254.08469	0.9
258.07623	43.7
259.07956	0.7
270.07693	1.3
275.20221	0.9
284.09259	1.4
286.07111	35.7
287.07996	2.0
332.13010	1.3
373.00351	0.7
433.31473	0.8
451.31830	1.6
469.33167	0.8
500.17365	1.3
518.18103	36.0
519.18726	1.3
555.36957	0.9
568.23712	1.0
584.23059	0.8
617.19165	1.6
699.27002	7.0
717.26727	100.0
718.26953	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	719.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01866	1.2
55.05507	2.0
56.44402	0.7
57.03411	0.7
57.84514	0.6
67.05499	4.0
69.03423	2.3
69.07066	1.6
70.06599	1.1
71.52559	0.8
79.05488	3.3
81.03419	4.1
81.07074	4.3
83.04989	1.4
83.08621	0.9
85.02908	2.0
85.06535	0.9
87.57549	0.8
91.05476	3.3
93.07050	2.9
95.04980	1.7
95.08629	3.1
96.12206	0.7
97.02901	2.4
97.10144	0.7
99.04478	0.7
105.07040	2.9
107.04971	1.5
107.08591	3.6
109.02887	1.3
109.06542	1.2
109.10152	4.0
110.78088	0.6
111.08172	0.8
113.22825	0.6
117.07001	0.8
119.08595	4.8
121.06475	0.8
121.10159	3.2
123.11726	1.3
127.03936	1.4
131.08606	1.0
133.10139	3.1
135.08078	1.1
135.11717	1.2
137.09628	1.1
143.08659	1.0
145.10139	1.8
147.11763	1.9
149.13278	1.0
158.07263	0.7
159.11729	1.1
161.09595	0.9
171.11678	1.1
175.14758	0.8
198.02946	1.3
211.03766	1.0
227.03191	1.5
229.14363	0.9
257.19205	0.7
266.08087	0.7
275.20166	1.1
285.07462	0.8
285.60556	0.7
286.07953	1.4
353.13605	1.3
371.14670	31.7
435.32758	1.0
453.33551	3.4
471.34747	1.5
557.35028	1.5
585.82819	0.8
719.30298	100.0
720.30609	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	716.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76278	0.1
53.03910	0.5
55.01835	0.4
55.51784	0.1
56.81327	0.1
57.03406	0.6
59.04972	0.1
61.02945	0.7
65.03899	0.2
67.05444	0.1
68.99770	0.6
69.03426	2.4
69.07044	0.2
70.06599	0.7
71.04958	0.5
72.08123	0.3
73.02893	0.3
78.03462	0.8
78.03833	0.2
79.05463	0.2
80.04987	0.3
81.03416	2.3
81.07000	0.1
83.01309	0.2
83.04987	0.2
84.04460	0.2
84.08105	0.3
85.02905	4.5
86.06043	0.2
86.09664	0.4
87.04446	0.3
91.03951	0.2
91.05439	0.4
95.04943	0.2
95.08558	0.2
96.04464	0.4
97.02886	2.0
99.04420	0.6
105.03357	0.2
106.02910	3.3
107.04907	0.4
107.08578	0.3
109.02237	0.2
109.02883	1.8
110.07166	0.1
111.00789	0.3
111.04415	0.2
114.05518	0.2
117.06934	0.1
119.04917	0.2
121.02866	6.9
121.03734	0.2
121.06487	0.1
121.10045	0.1
124.03951	15.9
125.04247	0.3
127.03910	3.4
133.02821	0.8
135.04448	0.2
137.02341	1.1
141.60893	0.2
145.04919	0.6
145.06500	0.2
147.04401	1.5
153.01813	2.2
157.06396	0.2
165.01842	1.1
167.07088	0.2
171.02875	0.3
175.03842	0.2
183.02869	0.5
183.04433	0.1
185.05983	0.4
189.05486	0.2
194.37105	0.2
201.05489	0.2
206.04527	0.2
207.06503	0.4
213.05452	0.8
219.06552	0.2
231.06667	0.8
241.04909	1.2
245.04439	0.4
250.07118	1.4
258.05286	0.5
259.06085	0.2
268.08157	17.3
269.04425	0.2
269.08502	0.3
287.05487	100.0
288.05844	2.5
299.45428	0.2
314.62549	0.2
329.06583	0.2
379.64874	0.1
554.12939	22.8
555.13068	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.1
51.02381	0.1
53.03946	1.0
55.01862	0.4
57.03433	0.6
61.02924	0.7
63.88612	0.1
65.03945	0.2
67.01877	0.1
67.05505	0.1
68.99780	0.6
69.03429	2.9
69.92334	0.3
70.06593	0.2
71.04993	0.4
72.79523	0.1
73.02916	0.3
77.03923	0.2
79.05494	0.7
81.03418	4.3
81.07069	0.1
82.03765	0.1
83.01357	0.1
83.23251	0.1
85.02905	5.3
86.03265	0.1
86.09699	0.1
87.04443	0.3
91.03965	0.2
91.05486	0.1
95.04972	1.4
97.02892	4.0
99.04461	0.8
105.03390	22.4
106.03722	0.3
107.04945	0.3
109.02879	2.7
111.00791	0.8
111.04429	0.1
119.04959	0.1
120.08064	0.1
121.02863	5.7
122.03201	0.1
123.04417	1.5
125.04762	0.1
127.03914	4.4
129.07024	0.1
131.04877	0.1
131.08534	0.1
133.02849	0.7
135.04382	0.1
137.02339	1.1
140.84048	0.1
145.03033	0.1
145.04958	1.5
145.06265	0.1
147.04416	0.8
147.11656	0.1
149.02280	0.1
151.03883	0.1
153.01826	3.1
157.06508	0.3
161.06042	0.2
165.01840	1.5
171.02884	0.3
171.04448	0.3
171.92636	0.1
174.52502	0.1
175.03854	0.2
183.02876	0.6
185.05902	0.5
189.05492	0.2
197.05992	0.2
199.03897	0.2
200.07950	0.1
201.05501	0.2
203.03429	0.2
203.07045	0.1
207.06589	0.2
213.05484	1.2
217.04956	0.1
218.05782	0.1
219.06516	0.2
227.96387	0.1
231.06512	0.8
241.04935	1.1
243.06361	0.2
245.04439	0.2
249.07582	7.0
258.05219	1.0
259.05997	0.4
263.05527	0.1
267.08630	1.6
269.04514	0.2
287.05490	100.0
288.05832	2.6
299.05734	0.1
304.38010	0.1
329.06430	0.5
395.07733	0.2
518.44458	0.1
553.13477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5508
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03944	1.0
55.05511	5.0
56.05052	3.1
57.07066	2.1
58.06584	1.0
59.23900	0.4
60.04514	1.8
65.03933	0.5
67.05179	0.7
67.05503	9.2
68.05016	0.9
69.03423	0.7
69.07063	5.5
69.89305	2.1
69.89709	0.7
70.06585	1.5
71.08639	1.9
79.05487	6.4
80.05018	2.0
81.03396	0.5
81.05788	1.5
81.06601	0.4
81.07059	7.6
82.06572	5.8
83.08621	3.2
85.02922	1.9
85.10177	0.8
91.05473	6.3
93.07038	6.9
94.06567	13.9
95.04965	1.1
95.07345	6.0
95.07899	0.6
95.08018	0.5
95.08605	6.1
96.08125	4.7
97.02867	0.6
97.10152	2.5
105.07021	3.9
107.08591	3.3
108.08116	2.7
109.10154	2.3
110.09634	0.5
111.11728	0.9
119.08576	4.2
121.08857	0.5
121.10120	5.3
122.09670	2.0
123.11696	1.1
127.03874	0.5
133.10147	3.0
135.10611	0.7
135.11693	2.9
136.11221	0.5
137.13210	0.6
147.11705	1.2
149.13261	1.1
161.13200	0.6
163.14766	0.4
165.56375	0.4
196.57790	0.5
211.06738	0.5
233.22606	4.4
245.22659	5.6
250.25298	6.7
254.24860	1.0
262.25284	100.0
263.23276	0.9
263.25867	2.8
264.26898	0.6
272.25867	5.9
280.26361	6.7
310.27255	0.6
312.25217	1.0
336.16016	0.5
352.98273	0.4
368.31839	0.6
401.50919	0.4
442.31638	0.9
504.47681	5.5
516.47748	32.8
517.48096	1.8
518.49237	5.4
534.48785	18.1
535.49005	1.0
696.54034	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	714.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86720	0.7
53.03941	1.2
53.68008	0.7
55.05505	6.7
56.05044	3.9
57.07065	3.0
58.06595	0.9
60.04505	2.0
67.05506	13.0
69.03417	1.5
69.07076	7.2
70.06573	1.9
71.08616	1.9
79.05489	9.5
80.05003	2.1
81.05774	2.4
81.07054	9.8
82.06579	6.0
83.08609	4.3
85.02882	1.4
85.10180	1.1
91.05482	7.5
93.07034	8.4
94.06033	1.2
94.06570	16.2
95.04961	1.2
95.07355	8.1
95.07909	1.1
95.08015	0.9
95.08606	9.4
96.08125	6.5
97.10149	3.4
98.20808	1.7
100.07466	0.7
105.04559	0.7
105.07024	6.2
107.08595	4.8
108.08112	3.2
109.10174	4.1
119.08593	5.2
121.10120	5.0
122.09636	2.4
123.11701	1.1
133.10127	3.1
135.11678	2.8
136.11206	0.8
147.11734	1.3
149.13223	0.9
161.13196	1.2
203.18098	0.8
233.22659	2.8
245.22639	3.1
250.25296	7.2
254.24770	0.9
262.25305	100.0
263.25748	3.9
264.26575	0.9
272.25842	5.2
280.26398	7.0
312.25101	1.1
354.35162	0.8
467.33328	0.7
492.93246	0.8
504.47913	3.9
516.47772	26.4
517.48169	1.5
518.48999	5.2
534.48846	16.1
535.48694	1.0
561.25433	0.9
696.54156	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	714.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
56.05033	0.5
68.05027	0.4
69.03419	0.4
69.04528	0.4
70.06592	100.0
71.06915	1.0
72.08154	9.5
74.06083	2.2
74.10784	0.3
78.11322	0.4
83.47007	0.4
84.04506	0.6
84.08153	1.0
86.09709	0.5
91.05489	1.2
93.07070	0.6
96.04522	0.5
96.08135	0.6
98.06067	1.3
98.21543	0.7
100.07658	0.4
107.04958	0.5
113.07124	1.7
115.08726	1.3
115.44759	0.5
119.04962	1.3
120.08092	0.3
124.11227	1.8
125.07130	0.9
126.05552	1.4
126.09148	4.7
127.03940	0.5
127.08694	1.0
131.08189	0.6
136.07576	16.6
141.06602	1.0
147.04398	0.6
148.07623	1.2
153.10240	2.3
155.08192	1.1
159.07689	1.2
167.07101	0.6
167.11824	0.9
169.13361	37.6
170.13730	0.8
171.11330	1.0
181.09700	3.3
181.13336	0.3
190.12283	1.2
193.09801	0.9
195.07709	1.3
195.11330	1.2
197.12856	15.5
199.10854	1.0
205.09819	0.4
210.12387	1.7
212.10364	0.6
214.15533	0.6
221.09254	2.3
223.17992	0.4
224.14069	0.4
225.15948	0.8
233.12810	0.5
235.14340	1.6
238.11916	2.3
245.12975	0.4
247.14467	0.5
252.17216	0.4
253.15453	0.7
256.13019	1.0
259.10809	0.4
263.14001	0.5
275.14050	0.7
276.13480	0.6
277.11902	0.5
280.16696	0.6
294.18140	2.0
298.17764	1.0
304.12943	1.0
309.19244	0.6
311.16925	0.4
311.20535	0.4
322.13995	0.7
327.20346	0.9
332.19873	0.7
337.18790	1.4
355.19727	1.8
360.19183	4.6
365.25668	0.7
375.16568	0.8
376.18759	0.7
389.21811	0.6
393.25137	1.5
401.18335	0.6
403.19824	0.5
406.45911	0.3
417.21390	2.5
419.19315	0.8
421.21057	0.4
434.24133	0.7
455.22916	0.5
472.25754	1.2
473.23947	0.8
474.23477	0.6
490.26450	2.4
500.25031	7.2
516.28815	0.4
518.26086	12.7
519.26123	0.8
542.96393	0.4
554.30408	0.4
556.31464	1.0
571.29456	1.0
572.30817	1.3
587.31409	0.6
597.30341	2.9
613.33044	0.8
615.31378	4.1
668.37408	1.6
670.35107	0.7
686.38617	3.7
696.37183	9.8
696.48944	0.8
697.37006	0.9
714.38300	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	714.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.7
60.70703	0.3
67.05527	0.4
68.05013	0.8
69.03423	0.5
69.07066	0.9
69.93593	0.8
69.93988	0.6
70.06590	100.0
71.06931	1.0
74.06071	3.8
75.05599	0.6
79.05504	0.4
81.03410	0.8
81.07069	0.7
84.04501	1.4
85.02912	0.6
86.09700	7.0
91.05494	1.1
93.07051	0.5
95.08594	0.8
98.06070	0.4
98.20869	0.5
101.07108	0.6
105.07062	0.5
107.04922	0.3
107.08624	0.4
109.02908	0.5
109.07652	0.6
112.04012	0.9
115.08686	1.0
116.07104	0.8
119.04928	0.5
119.08668	0.4
120.08103	12.8
125.07127	0.4
126.09145	4.4
127.03960	0.4
127.08665	2.5
130.05032	0.6
132.08037	0.5
134.04968	0.3
135.08295	0.3
137.07109	0.4
138.12761	5.1
143.11798	2.0
145.06364	0.3
147.04459	0.4
151.41002	0.3
153.09203	0.4
153.10223	2.0
154.08675	0.6
155.08148	3.2
155.11815	0.5
158.09712	0.4
167.07027	0.5
171.11281	17.8
172.11400	0.7
173.13402	0.3
175.03891	0.5
176.10759	1.1
177.05489	0.4
177.10229	0.8
181.09715	17.1
182.10049	0.3
191.07153	0.4
193.09798	0.3
194.09348	0.6
199.10767	10.9
203.11771	0.5
205.09778	1.1
207.06552	1.1
209.09233	1.0
211.10872	0.6
215.08247	0.4
215.12207	0.3
216.13474	0.8
221.12828	4.5
229.13445	0.6
230.31258	0.4
231.11357	1.1
238.11876	2.5
239.17630	1.3
243.11377	0.4
245.16429	0.5
249.12190	1.7
256.12961	1.1
264.13504	0.5
267.17145	0.5
268.16739	0.5
278.14975	0.6
282.14627	0.6
287.05627	0.6
288.13531	0.6
290.11575	0.4
290.18777	0.5
306.14636	1.3
318.18259	1.0
328.16553	2.8
346.17551	1.8
359.17139	0.9
369.21463	0.6
375.20187	0.4
379.19870	1.2
385.14291	0.4
385.18762	1.3
397.20874	1.8
401.21912	0.5
403.19684	6.9
403.24451	0.5
404.20300	0.4
419.23264	0.4
459.22241	0.5
472.25549	0.6
488.28696	6.0
498.27130	4.2
500.25302	0.6
516.28131	12.3
517.28546	1.0
526.26746	1.3
544.27917	1.2
546.49054	0.4
556.50171	0.5
557.27087	0.4
583.28680	5.0
589.34039	0.5
599.32019	0.7
601.29510	5.5
602.29773	0.7
613.33325	0.5
668.37415	0.8
670.35413	0.8
678.35767	0.7
686.38770	5.4
687.38861	0.7
696.37189	5.9
697.37170	0.7
714.38208	6.9
715.38538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1552
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.03942	1.0
55.01869	1.2
55.19050	0.1
57.03429	0.7
61.02924	0.6
65.03889	0.1
67.05473	0.1
68.99786	0.9
69.03426	4.5
70.06554	0.2
70.93353	0.2
71.01314	0.1
71.04984	0.5
72.08122	0.1
73.02910	0.9
78.24051	0.1
81.03413	6.3
83.01305	0.2
83.61712	0.1
83.86587	0.1
85.02898	8.7
87.00823	3.9
87.01596	0.1
91.03944	0.5
91.05434	0.2
93.03343	0.2
95.01344	0.1
95.04938	0.2
97.02888	3.0
99.03863	0.1
99.04445	1.9
105.01858	2.3
109.02872	4.8
111.00790	0.6
115.03899	0.1
117.01842	0.7
119.04873	0.2
121.02857	0.7
123.00745	0.1
123.04388	0.2
127.03907	8.0
129.01851	0.7
135.04469	0.1
136.07550	0.1
137.02333	2.2
137.03398	0.2
141.01797	0.1
145.04947	2.3
145.06204	0.1
147.02823	0.3
147.04341	0.1
149.02353	0.4
149.85786	0.1
153.01825	2.6
155.04866	0.1
159.02882	3.2
161.05925	0.1
163.03946	0.4
165.01826	1.3
166.02528	0.2
167.17534	0.1
171.02899	0.1
173.05927	0.2
175.03865	0.2
177.01801	0.1
177.05420	0.1
179.03346	0.1
182.08072	0.1
183.02905	0.7
183.04358	0.2
186.53064	0.1
187.03966	0.2
191.03349	0.1
191.06958	0.1
195.02873	0.3
201.05464	1.0
205.04874	0.2
207.02846	0.1
207.06464	0.4
207.35658	0.1
208.06845	0.2
213.03870	0.2
219.02879	0.2
219.06479	0.2
229.04955	3.2
231.04965	1.2
247.05984	0.6
257.04428	2.2
274.04767	0.6
275.05344	0.2
285.03937	1.1
286.04620	0.2
303.04956	100.0
304.05255	1.8
315.04648	0.1
327.04880	0.2
345.05954	0.8
369.06244	0.2
411.07303	0.2
447.08600	0.1
449.89191	0.1
465.10266	11.9
466.10632	0.4
515.08496	0.1
533.09155	0.1
551.10419	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89966	1.1
53.03928	1.1
55.05503	4.1
56.05025	3.4
56.82592	1.2
57.07064	3.5
57.40970	1.6
59.76950	1.0
60.04505	1.5
62.44486	1.2
63.73792	1.1
67.05502	14.1
69.03422	1.5
69.07062	5.6
69.95589	4.9
70.06603	2.1
71.08622	3.1
72.39896	1.0
73.05924	1.1
79.05492	12.5
80.05024	4.5
81.03448	1.2
81.05797	1.6
81.07056	12.1
82.06570	8.2
83.08626	4.3
85.02915	3.1
91.05482	23.4
93.05811	1.5
93.07043	14.7
94.06573	31.6
95.04952	2.4
95.07359	7.3
95.08607	9.0
96.08132	2.7
97.02916	1.6
97.10164	2.4
105.07047	15.4
106.06556	6.9
107.07380	1.8
107.08603	6.3
108.08117	12.5
109.10161	3.8
113.98212	1.2
115.05444	1.5
117.07015	9.1
119.08599	12.2
119.78349	1.1
120.08096	3.5
121.10167	4.9
122.09702	7.2
131.08574	11.0
132.08127	2.9
133.08867	3.9
133.10130	8.0
133.28581	1.5
134.09645	8.5
135.11696	4.1
145.10144	4.5
146.09669	1.8
147.10439	4.3
147.11620	2.4
148.11226	5.6
159.11659	1.8
161.13283	1.5
173.13271	1.8
220.20657	1.3
231.21114	8.7
232.20544	2.1
243.21109	8.6
246.22180	2.0
248.23706	10.5
260.23743	100.0
261.24124	3.7
272.25754	3.8
278.24893	7.1
392.24753	1.4
479.36630	1.4
502.46109	4.7
514.46326	10.6
516.47382	3.9
532.47357	21.2
694.51788	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	712.402
Annotation	Dianthin D
Peak:m/z	Relative Intensity
60.04526	1.9
68.05019	0.6
69.07069	0.7
69.55089	3.0
70.06591	100.0
71.06911	0.4
86.09705	7.7
86.10185	0.7
88.00101	0.4
88.15873	0.4
91.05469	0.6
98.06050	11.5
98.06682	0.7
98.21555	0.7
103.05515	0.5
108.08157	1.1
116.07106	1.1
117.06623	1.0
120.08101	17.5
120.63705	0.4
126.05521	6.7
132.08154	0.5
138.12775	30.0
139.08701	1.8
139.13184	0.4
141.46828	0.4
145.06049	2.3
154.15848	0.4
155.08130	1.1
157.09723	7.8
167.08160	9.4
167.11804	2.4
167.15489	0.5
170.09821	0.4
172.11197	5.9
177.10228	3.5
183.14955	0.8
185.09212	7.7
188.14392	0.9
193.12103	0.5
195.11295	4.7
195.12915	0.5
196.10840	1.0
196.13394	0.5
205.09789	0.9
205.31567	0.4
211.14516	1.1
212.13989	1.0
213.12372	0.5
214.11899	0.8
224.10297	10.5
224.12473	0.7
228.02884	0.4
233.09082	0.4
242.11328	10.2
251.21310	0.8
252.09741	0.6
262.34256	0.4
264.13480	2.2
274.11978	0.9
282.14499	7.0
292.13025	2.3
307.20209	0.5
309.15414	0.5
311.17126	0.5
318.18222	1.0
321.15656	1.2
322.21231	0.4
339.16644	7.4
343.17581	0.8
356.19376	1.3
361.18683	12.7
362.19193	0.7
371.17175	0.7
389.18137	4.0
431.26602	0.6
440.22559	0.6
458.23959	11.5
459.24493	1.0
474.27426	1.7
486.23529	8.5
502.26364	1.1
522.46277	0.4
541.51880	0.4
571.32446	5.5
587.35059	0.6
598.33734	0.8
599.22119	0.7
599.31866	13.0
600.32330	0.6
615.34821	2.1
684.40735	18.8
685.40430	0.9
694.39038	2.0
712.40277	40.5
713.40399	2.8
719.38190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.05507	1.4
60.04516	1.1
67.05507	4.5
69.03438	2.2
69.86758	5.1
70.06236	0.8
70.06580	5.4
71.04984	2.0
72.08124	1.2
77.27876	0.9
79.05493	1.9
80.46372	1.0
80.48505	1.0
81.03397	2.5
81.07047	1.7
83.08594	1.1
84.08148	2.0
85.02907	2.2
86.09708	2.1
91.05489	2.6
93.07054	2.9
94.06542	0.9
95.04969	2.3
95.08619	2.2
97.02874	3.1
98.21488	1.8
103.05543	1.2
105.03398	1.2
105.07016	2.9
105.09566	0.9
107.04942	1.2
107.08613	2.1
108.08131	7.9
109.02884	2.2
109.06484	1.1
109.10162	1.4
110.06009	1.2
119.04936	3.2
119.08579	1.7
120.08099	2.2
121.02824	1.3
121.06534	1.0
122.06070	1.4
122.09686	1.2
123.04381	1.1
124.07607	1.9
127.03936	4.1
128.07050	1.5
134.09650	2.6
135.04453	1.2
135.11716	1.3
136.07568	8.6
137.05978	2.0
138.05490	6.8
138.09131	1.8
145.10236	1.0
147.04391	4.0
147.06766	1.8
148.07524	1.4
151.03911	1.1
152.07109	1.4
162.09152	3.4
164.07083	1.1
167.07022	1.5
170.55182	0.9
174.09258	1.5
175.03928	2.7
176.07077	2.1
178.05048	1.1
179.15506	1.0
181.83099	0.9
182.08206	2.3
187.89519	0.9
190.08618	6.1
194.08096	2.5
207.06540	4.2
216.77219	1.1
218.08141	3.4
219.11351	1.4
235.08611	1.9
236.09526	1.8
237.10210	3.1
241.09799	2.1
249.10242	5.0
250.11023	2.7
251.08252	1.4
251.11786	4.4
253.09683	1.0
264.09061	1.2
265.09702	10.8
267.11237	1.9
271.06000	4.7
277.09680	3.2
278.10449	5.6
279.07697	7.8
279.11285	11.1
280.12000	1.5
281.09351	1.8
281.12701	1.0
283.10712	2.8
293.09094	3.7
293.12811	7.1
295.10852	3.6
295.14035	1.1
296.11603	1.5
297.12344	3.0
301.11951	1.5
303.04993	2.4
306.10107	1.2
307.10852	3.5
309.12222	1.1
310.09540	1.7
311.10254	5.3
312.10962	1.3
313.11969	3.5
314.12912	1.2
317.06479	1.0
321.12399	1.3
323.10254	1.8
325.11783	5.8
326.12613	1.1
328.10907	1.3
329.11411	1.7
338.12756	1.5
339.13394	30.0
340.14191	1.8
341.11447	2.0
342.12057	2.1
343.13217	2.3
344.14059	1.8
345.14716	1.3
346.15530	1.1
351.09628	2.9
352.10684	2.3
353.14972	1.8
354.12030	1.4
356.10208	1.3
356.13983	1.7
357.14722	1.7
366.11975	2.1
367.12897	6.4
369.14578	1.9
370.11838	1.8
372.13321	2.2
373.14056	1.5
374.15024	2.9
376.16846	1.3
381.14886	1.2
383.12482	1.5
384.13510	3.6
385.14066	3.4
386.15002	3.1
388.16580	2.4
398.10614	1.6
398.15204	2.2
399.15515	70.4
400.16678	6.5
402.14581	3.7
404.16159	8.5
405.16873	1.2
405.76035	1.0
414.14441	2.3
415.15228	1.5
416.16486	5.2
417.17102	5.4
418.17471	2.7
419.18307	1.9
420.15460	2.2
425.13312	1.5
427.32278	1.3
430.13754	2.3
432.15460	3.7
434.17212	2.0
444.15854	2.6
445.16016	1.0
448.14850	2.7
457.16180	1.3
458.17081	2.8
460.18704	1.9
461.15604	2.3
462.16602	3.0
463.17239	3.8
464.18207	1.9
472.15396	1.4
474.16821	1.6
476.18082	8.7
477.19150	1.2
480.18268	1.2
486.16507	1.4
488.18335	1.3
489.15817	1.3
490.16006	1.5
504.17810	11.5
505.17807	1.2
506.19254	5.2
510.22327	1.1
522.18378	3.4
536.20282	100.0
537.13733	1.5
537.20984	16.5
538.20172	2.9
554.21387	15.6
565.21216	1.0
572.21948	5.0
611.21393	2.8
625.22784	2.1
633.25952	2.2
643.24005	18.2
644.22821	2.5
661.24854	10.1
665.27264	1.3
675.26355	2.3
693.27606	7.1
711.26392	1.7
736.34534	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.05507	1.4
60.04516	1.1
67.05507	4.5
69.03438	2.2
69.86758	5.1
70.06236	0.8
70.06580	5.4
71.04984	2.0
72.08124	1.2
77.27876	0.9
79.05493	1.9
80.46372	1.0
80.48505	1.0
81.03397	2.5
81.07047	1.7
83.08594	1.1
84.08148	2.0
85.02907	2.2
86.09708	2.1
91.05489	2.6
93.07054	2.9
94.06542	0.9
95.04969	2.3
95.08619	2.2
97.02874	3.1
98.21488	1.8
103.05543	1.2
105.03398	1.2
105.07016	2.9
105.09566	0.9
107.04942	1.2
107.08613	2.1
108.08131	7.9
109.02884	2.2
109.06484	1.1
109.10162	1.4
110.06009	1.2
119.04936	3.2
119.08579	1.7
120.08099	2.2
121.02824	1.3
121.06534	1.0
122.06070	1.4
122.09686	1.2
123.04381	1.1
124.07607	1.9
127.03936	4.1
128.07050	1.5
134.09650	2.6
135.04453	1.2
135.11716	1.3
136.07568	8.6
137.05978	2.0
138.05490	6.8
138.09131	1.8
145.10236	1.0
147.04391	4.0
147.06766	1.8
148.07524	1.4
151.03911	1.1
152.07109	1.4
162.09152	3.4
164.07083	1.1
167.07022	1.5
170.55182	0.9
174.09258	1.5
175.03928	2.7
176.07077	2.1
178.05048	1.1
179.15506	1.0
181.83099	0.9
182.08206	2.3
187.89519	0.9
190.08618	6.1
194.08096	2.5
207.06540	4.2
216.77219	1.1
218.08141	3.4
219.11351	1.4
235.08611	1.9
236.09526	1.8
237.10210	3.1
241.09799	2.1
249.10242	5.0
250.11023	2.7
251.08252	1.4
251.11786	4.4
253.09683	1.0
264.09061	1.2
265.09702	10.8
267.11237	1.9
271.06000	4.7
277.09680	3.2
278.10449	5.6
279.07697	7.8
279.11285	11.1
280.12000	1.5
281.09351	1.8
281.12701	1.0
283.10712	2.8
293.09094	3.7
293.12811	7.1
295.10852	3.6
295.14035	1.1
296.11603	1.5
297.12344	3.0
301.11951	1.5
303.04993	2.4
306.10107	1.2
307.10852	3.5
309.12222	1.1
310.09540	1.7
311.10254	5.3
312.10962	1.3
313.11969	3.5
314.12912	1.2
317.06479	1.0
321.12399	1.3
323.10254	1.8
325.11783	5.8
326.12613	1.1
328.10907	1.3
329.11411	1.7
338.12756	1.5
339.13394	30.0
340.14191	1.8
341.11447	2.0
342.12057	2.1
343.13217	2.3
344.14059	1.8
345.14716	1.3
346.15530	1.1
351.09628	2.9
352.10684	2.3
353.14972	1.8
354.12030	1.4
356.10208	1.3
356.13983	1.7
357.14722	1.7
366.11975	2.1
367.12897	6.4
369.14578	1.9
370.11838	1.8
372.13321	2.2
373.14056	1.5
374.15024	2.9
376.16846	1.3
381.14886	1.2
383.12482	1.5
384.13510	3.6
385.14066	3.4
386.15002	3.1
388.16580	2.4
398.10614	1.6
398.15204	2.2
399.15515	70.4
400.16678	6.5
402.14581	3.7
404.16159	8.5
405.16873	1.2
405.76035	1.0
414.14441	2.3
415.15228	1.5
416.16486	5.2
417.17102	5.4
418.17471	2.7
419.18307	1.9
420.15460	2.2
425.13312	1.5
427.32278	1.3
430.13754	2.3
432.15460	3.7
434.17212	2.0
444.15854	2.6
445.16016	1.0
448.14850	2.7
457.16180	1.3
458.17081	2.8
460.18704	1.9
461.15604	2.3
462.16602	3.0
463.17239	3.8
464.18207	1.9
472.15396	1.4
474.16821	1.6
476.18082	8.7
477.19150	1.2
480.18268	1.2
486.16507	1.4
488.18335	1.3
489.15817	1.3
490.16006	1.5
504.17810	11.5
505.17807	1.2
506.19254	5.2
510.22327	1.1
522.18378	3.4
536.20282	100.0
537.13733	1.5
537.20984	16.5
538.20172	2.9
554.21387	15.6
565.21216	1.0
572.21948	5.0
611.21393	2.8
625.22784	2.1
633.25952	2.2
643.24005	18.2
644.22821	2.5
661.24854	10.1
665.27264	1.3
675.26355	2.3
693.27606	7.1
711.26392	1.7
736.34534	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.7
57.02446	0.5
57.03438	0.5
57.07071	3.3
57.28335	0.5
59.05000	4.0
61.02911	0.5
65.03934	2.6
67.05508	13.2
68.71474	0.4
69.06799	0.4
69.07070	4.7
71.04990	1.3
73.19636	0.5
79.05494	2.4
81.07055	3.6
83.01315	1.4
83.04987	0.6
83.08617	1.5
83.28869	0.5
85.02879	0.5
85.06549	9.5
89.39374	0.4
91.05490	5.2
93.07037	2.0
93.18967	0.7
95.04985	0.8
95.08611	2.9
97.06529	0.6
97.10154	0.6
103.05466	1.1
105.07019	1.3
107.08586	0.9
109.10149	2.1
111.11698	1.4
115.05463	0.8
119.04932	2.6
119.08566	0.9
121.10141	1.6
123.11705	1.2
128.06194	1.2
129.07033	1.4
130.17549	0.5
131.04944	7.0
133.06474	0.8
133.10136	1.2
135.23042	0.5
139.11090	0.6
141.06996	1.2
142.07767	0.7
143.04922	1.5
143.08565	0.8
145.06476	1.5
147.04419	11.0
153.06992	0.8
155.08540	1.6
157.06465	1.4
157.10153	1.5
159.03235	0.9
159.04430	10.2
159.08049	0.6
161.05966	1.1
163.03920	5.1
165.06963	1.2
166.07742	0.6
167.08652	1.3
169.10115	1.2
171.04424	2.1
171.08061	1.4
173.06042	3.3
173.09630	0.8
175.03915	100.0
175.14957	0.6
176.04240	2.7
177.05475	7.5
178.07640	0.5
179.08571	1.1
181.06409	0.8
182.07274	0.8
183.04439	0.8
183.08066	1.6
184.05214	0.8
185.05984	2.3
185.09631	1.2
186.06989	0.5
187.03922	32.7
187.07495	4.1
188.04218	0.5
189.05493	9.1
190.06158	1.3
191.03223	0.7
195.08034	1.3
197.06009	1.8
197.09628	1.9
198.06721	1.5
199.03911	10.7
199.07544	2.2
200.08347	0.6
201.05470	8.4
201.09099	1.0
203.03415	5.1
203.07074	2.8
203.10649	0.9
205.04889	0.6
207.08064	1.4
209.06171	0.6
210.06760	0.9
211.04082	0.7
211.07573	3.8
212.04698	3.9
212.08241	0.7
213.05508	7.4
213.09068	3.5
214.06110	1.0
215.07019	3.6
216.06586	0.7
217.04999	1.2
217.08640	1.7
219.10400	0.7
223.07506	2.4
224.08351	1.0
225.05571	0.6
225.09102	5.7
226.06244	10.3
227.07025	8.8
228.07913	3.8
229.08607	38.0
230.08885	1.4
231.10182	7.6
237.05530	0.6
237.09184	1.0
239.06985	2.2
239.10652	0.8
240.07719	1.0
241.08606	35.8
242.09009	1.7
243.10172	24.6
244.10324	0.6
245.08244	2.5
247.09679	45.2
248.10048	0.8
249.12779	0.7
252.11540	0.7
253.08606	11.2
253.12369	1.5
255.10210	4.4
257.08014	1.0
259.09650	10.8
259.24341	1.2
261.11261	7.8
265.08606	1.5
267.10104	0.8
267.13785	2.2
269.11755	2.2
271.09686	1.9
277.12134	0.9
277.25192	2.0
278.12592	0.5
280.10898	2.1
295.13309	40.7
296.13635	1.3
303.75986	0.6
313.14349	82.7
314.14667	3.4
327.15915	21.5
328.16196	0.8
331.15411	18.5
345.16977	19.6
346.17371	1.0
349.37073	0.5
351.29065	0.8
475.17215	1.1
490.00513	0.6
559.23297	2.0
643.28766	1.4
657.30505	3.2
675.31677	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	710.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34377	1.6
55.01855	2.2
55.05500	5.9
57.07064	4.8
59.04987	5.5
65.03968	1.9
67.05503	12.3
69.07064	2.7
70.98675	4.4
71.04992	6.1
79.05497	4.1
81.07057	6.4
83.08627	1.9
85.02909	6.8
85.06532	9.7
91.05486	5.3
93.07027	2.6
95.08591	2.5
99.08096	2.1
105.07010	2.8
107.08586	2.5
109.06527	2.1
109.10173	3.6
113.02376	36.3
119.04967	3.8
119.08572	1.8
121.06512	3.8
128.06171	1.9
129.06958	2.5
131.04938	3.3
135.04454	4.7
143.08568	3.9
145.06432	2.9
147.04451	12.1
147.07996	3.9
149.06001	3.6
155.08569	2.2
159.04434	5.0
161.05977	3.2
161.09694	2.5
163.03894	5.1
167.03471	3.0
169.10124	2.0
171.04439	3.1
171.08109	4.0
173.05977	2.9
173.09708	2.0
174.06757	2.3
175.03915	18.0
175.07521	3.0
177.05426	2.1
179.08606	2.3
183.04443	2.1
183.08043	3.7
185.05986	3.0
185.09708	3.2
187.03963	12.8
187.07547	4.2
187.11223	2.1
189.05435	3.8
189.09109	31.1
190.06197	2.8
195.08069	3.2
197.05898	3.7
197.09619	2.3
198.06741	2.0
199.03979	10.8
199.07526	4.6
200.08220	2.8
201.05476	3.4
201.09087	5.4
203.03355	2.3
203.07083	6.4
203.10661	2.0
207.08214	2.1
207.10139	2.9
211.03915	2.1
211.07527	4.7
212.08284	2.0
213.05556	3.3
213.09100	7.8
215.07060	2.1
221.07974	4.0
223.07634	2.5
224.08243	2.3
225.09119	6.7
226.06226	5.7
227.06943	2.7
227.10762	4.5
229.08647	9.1
229.12085	2.1
231.10152	2.5
233.08049	3.0
237.09192	2.3
239.10626	3.0
239.14223	2.2
240.11459	6.6
241.08612	24.7
241.12267	1.9
242.13045	2.0
243.10205	7.6
243.13983	2.1
247.09671	1.9
250.10036	2.4
251.07138	2.7
252.11465	2.0
253.08510	8.6
253.12234	5.1
254.13058	4.7
255.10327	2.4
255.13788	16.3
257.08054	3.2
259.09467	2.7
261.11292	7.0
265.12250	2.7
267.13831	6.7
269.11761	4.9
271.09796	2.3
273.14865	21.5
275.11163	1.8
277.08646	2.7
277.12054	2.2
279.10217	2.9
281.08139	2.6
285.14774	4.7
287.12854	18.0
289.08313	2.2
291.10349	2.5
291.16125	2.9
293.11664	4.9
295.10056	2.5
295.13235	24.2
303.10083	2.1
305.08310	3.2
305.14090	12.2
306.12491	2.1
308.10397	2.3
311.12817	10.3
313.14316	21.3
317.08017	3.4
319.13196	3.5
321.11169	15.0
322.11923	2.0
323.12723	8.8
325.14352	4.6
327.16058	16.6
329.11899	2.6
331.09634	2.6
331.15637	3.7
333.11423	2.5
334.11533	1.9
341.08051	1.9
341.13806	3.0
345.11237	3.2
345.16885	5.7
347.12637	3.7
347.16537	3.5
351.29065	3.1
355.15369	2.8
356.10507	2.1
357.11200	4.1
359.12790	6.9
365.17603	4.6
371.12640	3.8
371.16672	2.7
373.14301	12.8
375.11984	3.8
379.15262	2.5
387.15878	7.0
389.17380	7.3
393.16925	7.0
394.17249	2.7
397.16370	4.9
398.15451	2.3
401.13684	2.5
407.18423	2.2
410.14935	2.2
411.15781	2.6
413.17337	2.7
431.22195	6.7
441.20844	4.8
442.21921	2.6
443.18546	2.9
445.19986	4.1
447.17938	2.5
449.23221	7.7
455.22729	2.3
457.16229	2.3
458.20889	3.3
459.22067	16.4
460.22272	7.3
461.19388	2.3
467.22214	2.4
469.16492	3.0
471.17795	3.9
473.23517	4.2
475.17398	3.8
477.22943	9.6
478.23666	9.4
495.21533	4.9
509.27161	3.9
511.24695	5.2
513.22577	7.7
523.21094	5.9
526.27271	9.5
527.28314	8.5
529.25964	33.5
530.26166	2.7
531.23352	2.1
541.22076	10.9
544.28192	100.0
545.28644	9.7
553.21747	4.5
555.23767	9.0
556.23730	2.2
559.22687	4.2
561.26294	3.0
562.29242	72.6
563.29272	6.7
571.22913	3.2
573.24725	6.5
579.27252	5.8
589.25427	3.4
597.28021	5.2
607.26550	12.2
615.29913	2.5
621.28424	5.9
625.27863	16.8
639.29706	9.5
643.28540	8.1
657.30389	15.6
664.37292	1.9
675.31519	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	710.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
53.51051	0.3
55.01857	0.6
55.05505	0.5
59.07157	0.3
60.74775	0.3
65.31193	0.2
67.05488	0.9
67.57484	0.2
69.03423	1.3
69.76799	1.3
70.06259	0.4
70.06593	4.0
71.04971	0.3
73.02892	0.5
75.06007	0.3
81.03391	0.8
83.04987	0.3
84.04494	0.5
84.08125	0.7
85.02901	2.8
85.06530	0.7
85.46553	0.3
87.04426	0.3
91.05480	0.5
93.07024	0.4
95.04993	0.5
96.65796	0.3
97.02865	0.8
98.06036	0.3
105.03339	0.4
107.04900	0.3
108.08084	0.7
109.02866	1.0
111.04449	0.3
112.07565	0.4
119.04908	0.6
120.08081	0.4
121.02840	0.5
121.06499	0.5
127.03883	1.1
135.04413	0.9
136.07524	0.8
137.05966	0.4
142.07744	0.4
143.08539	0.5
145.04956	0.4
145.06403	0.4
147.04433	1.6
147.07945	0.3
154.04956	0.4
157.06561	0.3
157.10129	1.6
160.07632	0.4
167.07031	0.4
167.08499	0.3
171.04431	1.0
171.08038	1.2
171.11612	0.5
172.08818	0.7
173.09590	1.2
175.03883	1.1
177.05443	0.8
178.04958	0.4
181.10258	0.3
185.05971	0.4
185.09604	3.7
187.07654	0.4
189.05513	0.6
189.09103	4.5
194.11020	0.3
198.06824	0.5
199.07564	0.3
199.11122	1.1
201.05420	0.3
201.09091	4.0
207.06552	3.1
207.10172	0.6
209.09686	0.7
211.07600	0.3
212.08261	1.0
212.11993	0.4
213.09103	21.0
213.12631	1.3
214.09406	0.3
215.10635	0.6
217.08722	0.4
222.10464	0.3
225.09103	1.0
227.10693	5.2
227.14240	7.4
229.08604	0.9
229.12291	0.5
231.10069	1.6
231.59036	0.3
231.99164	0.3
237.12741	3.6
240.11411	3.4
241.15883	0.6
243.10233	0.4
245.11618	1.8
247.09682	0.5
249.11192	1.1
251.14429	1.3
255.10342	3.0
255.13797	67.2
256.14203	1.4
257.08200	0.4
269.15350	5.4
273.11484	0.5
273.14844	5.9
287.16364	0.8
297.14850	10.5
297.18219	0.6
299.13065	0.3
299.16196	0.4
313.14395	0.3
315.15897	100.0
316.16208	1.7
323.12369	0.4
333.16953	9.1
351.18130	1.8
357.17465	0.4
376.12134	0.4
385.44681	0.3
441.19141	1.3
459.20129	6.4
463.17728	0.3
477.21188	2.8
486.99536	0.3
529.20697	0.3
613.02435	0.4
676.52094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
65.03957	0.4
67.05499	0.8
68.99799	0.4
69.03419	1.5
69.07069	0.6
69.33926	2.5
69.34341	0.7
70.06571	1.2
71.04982	0.4
72.36671	0.3
79.05511	0.5
80.14906	0.3
81.03416	1.3
81.07032	1.5
82.06554	0.6
83.04967	0.5
84.08126	0.6
85.02895	1.0
85.68885	0.3
86.06067	0.4
91.05498	1.7
93.07029	1.4
94.06556	0.9
95.04987	0.4
95.07316	0.5
95.08631	0.6
96.08130	1.5
97.02904	0.7
97.06509	0.8
105.07047	1.0
107.04959	0.5
107.08608	0.4
108.08121	2.2
109.02883	1.2
109.06571	0.4
110.09670	2.7
119.04926	1.4
119.08572	0.5
120.04461	1.0
120.08085	2.8
121.02832	0.4
121.06491	0.6
121.10127	0.6
122.06083	0.7
122.09670	0.9
124.07567	1.1
127.03915	0.8
133.02913	0.6
133.06462	0.5
133.10123	0.4
134.05991	0.6
135.04468	0.4
136.07587	3.1
137.05988	1.7
138.09126	5.4
145.02846	0.7
145.10156	0.8
146.05969	0.6
147.04398	1.4
147.41000	0.4
148.07578	0.7
149.09641	1.5
150.09204	0.6
152.07071	1.2
159.11707	0.5
160.07614	0.8
160.09041	0.4
163.11226	0.6
164.07126	0.6
166.08620	6.1
166.09940	0.5
167.07124	0.4
172.03964	1.0
174.09143	0.5
175.03926	2.2
175.07518	0.4
176.10661	0.4
177.05531	1.3
180.10193	0.7
182.11745	0.6
187.11186	0.7
194.08093	0.9
196.09796	0.4
204.06566	2.5
206.04466	0.4
207.06477	3.1
211.08658	0.4
212.09396	0.7
215.10623	0.7
218.08098	0.8
222.11276	1.1
223.11797	0.4
225.10201	1.5
227.11855	0.9
237.10245	2.9
238.11058	0.7
239.08124	0.7
239.11827	1.4
241.09671	0.4
248.09410	0.9
249.10272	1.9
250.11026	1.2
251.08182	1.4
251.11797	2.2
252.12621	0.4
253.09746	2.4
255.11229	0.6
261.10291	0.8
263.08420	0.4
263.11813	1.0
265.09674	4.0
266.10461	0.8
267.07986	0.4
267.11224	1.8
271.06061	1.5
271.10748	1.3
277.09659	1.2
278.10495	2.1
279.07657	1.9
279.11292	4.8
279.14014	0.5
280.11984	1.0
281.09265	1.4
281.12787	0.9
282.09961	0.4
283.10764	2.7
285.12433	1.0
287.05576	0.6
287.13913	1.6
289.09695	1.9
291.11240	1.0
293.09299	1.1
293.12927	2.3
294.10007	2.4
295.10812	1.6
295.14044	0.4
296.11652	1.0
297.12302	1.2
299.10379	1.3
303.13416	0.7
307.10815	1.0
308.11624	0.7
309.12381	1.0
311.10269	3.5
311.13663	0.9
312.11047	0.9
313.11789	1.5
314.12601	1.2
323.13950	0.5
324.10938	0.8
325.11841	1.6
326.12601	2.3
327.13391	5.1
335.10272	3.0
337.11813	0.8
339.09863	0.8
339.13376	23.6
340.10428	0.8
340.14081	0.6
352.10391	0.5
354.12100	2.3
355.12869	7.3
356.13525	0.4
357.14566	0.7
367.12860	10.9
371.12341	1.2
371.16342	0.6
372.13165	0.6
386.14795	1.4
387.15579	0.9
395.16748	0.6
399.15549	3.4
451.20844	0.5
460.18610	1.1
464.22510	0.4
474.17044	0.5
479.20642	2.0
488.18011	1.1
492.21448	2.3
502.20065	0.4
520.20795	7.7
521.20996	0.6
552.23395	100.0
553.23749	4.1
627.24219	1.3
659.25403	0.7
691.25897	0.4
709.28265	0.5
709.40295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13910	0.8
53.03937	1.5
55.01867	1.6
55.05498	1.8
57.03444	1.0
65.03943	1.3
67.05497	2.4
69.03415	3.7
69.07063	2.2
70.06590	5.4
71.04985	1.8
71.52197	1.2
72.08130	1.2
79.05481	2.8
81.03429	4.6
81.07042	3.5
82.06578	1.7
82.92006	0.7
83.04982	1.4
84.08137	2.7
85.02905	2.8
85.06548	1.2
86.06061	3.9
86.09737	1.2
91.05489	6.5
92.05822	0.9
93.05774	1.1
93.07053	4.9
94.06572	6.2
95.04960	2.4
95.07333	4.3
95.08610	2.9
96.08135	6.9
96.08662	1.2
97.02898	1.3
97.06493	2.9
98.06013	1.4
98.09685	1.6
99.04438	1.4
103.05483	1.8
105.03384	2.0
105.07023	2.3
106.06536	0.8
107.04919	1.8
107.08601	1.5
108.04539	0.7
108.08112	7.7
109.02851	3.4
109.06610	1.0
110.09685	10.9
112.07630	0.8
116.10737	6.3
117.06990	1.1
117.11064	1.5
119.04945	4.9
119.08575	1.6
120.05357	0.8
120.08115	9.5
121.02858	1.2
121.06511	1.4
121.10143	1.5
122.06008	3.7
122.09637	1.4
124.07537	1.9
127.03883	3.0
128.07056	0.9
133.02841	1.0
133.03763	0.9
133.10097	1.4
135.04417	1.3
136.07608	7.1
137.05965	1.8
138.09129	14.6
138.68504	0.8
140.07018	1.3
145.02814	1.2
147.04405	4.1
147.11705	1.2
148.04715	1.0
148.07573	3.7
150.09148	2.0
152.07043	1.6
160.07597	2.0
162.05486	2.9
162.09111	0.9
163.05829	1.0
166.08632	13.6
167.07062	1.6
175.03896	6.4
176.04352	1.5
176.07094	9.5
177.05476	2.0
178.04999	1.0
194.09814	1.0
207.06531	10.2
208.06805	1.3
209.10799	2.7
211.08739	1.5
212.16414	1.0
214.12309	1.1
223.08769	1.4
223.12302	1.3
225.10271	2.3
235.08696	4.7
236.09389	3.7
237.10219	16.1
239.11844	2.1
245.09062	0.8
248.09364	1.8
249.10226	19.2
250.07755	0.9
250.10959	3.1
251.08098	1.4
251.11746	5.2
252.12727	1.1
253.09706	2.7
255.11270	1.7
255.13831	1.2
261.10242	3.1
263.08102	3.2
263.11591	1.3
264.08969	7.0
265.09732	14.2
266.10492	3.7
267.11316	6.0
271.05991	3.0
271.13681	0.9
275.08090	1.5
276.08936	2.8
277.09763	14.6
278.07645	1.4
278.10367	6.9
279.07956	1.5
279.11240	11.9
280.08783	1.0
280.12012	3.8
281.09302	3.5
281.12900	3.0
282.09683	1.0
283.10641	1.9
284.88986	0.9
290.02817	0.8
291.07669	1.3
291.11172	1.9
292.08453	2.0
292.11719	2.1
293.09174	26.7
293.12814	6.8
294.09851	3.3
295.10852	4.1
296.11520	1.2
297.08548	1.8
297.12152	1.6
304.08371	1.5
305.09149	6.1
306.09833	2.8
307.10776	8.1
309.08694	4.3
309.12329	6.3
310.09457	1.2
311.10138	2.5
311.13760	1.3
312.11050	2.3
313.11844	2.6
318.12198	0.9
319.10785	5.1
321.12378	1.0
323.10275	5.0
324.11169	1.3
325.11871	5.4
326.23410	2.1
327.13239	5.6
327.23642	1.5
328.14362	1.5
333.08649	2.9
335.09875	0.9
337.11917	6.2
338.12769	1.8
339.13400	18.1
340.14371	1.1
342.12341	2.2
343.13141	1.7
344.24179	4.8
345.24588	4.3
351.09802	15.5
352.14389	2.3
353.11191	2.5
353.15131	1.8
354.12094	2.4
355.12906	3.4
356.13766	3.0
357.14645	1.5
358.15421	2.3
359.16422	1.3
365.11218	6.8
366.11951	3.4
369.10721	1.6
370.11713	2.9
370.15756	1.1
371.12439	2.6
372.17181	1.8
373.14053	1.2
382.11539	2.2
382.15601	1.6
383.12305	6.1
384.13181	4.1
385.13873	5.9
386.14612	1.9
397.09167	1.4
397.13974	20.2
398.14627	4.0
399.10596	1.6
399.15393	1.5
400.16876	4.1
412.12958	1.1
416.15683	1.0
418.17636	6.8
426.14514	2.5
428.15796	3.2
432.19406	1.5
442.17999	1.7
444.14963	1.9
446.16882	7.9
454.13867	6.4
460.19220	2.2
462.20514	1.5
472.15033	15.8
474.16675	3.5
478.19711	4.5
490.19952	4.1
492.17358	8.5
504.17700	5.4
518.19104	7.7
519.19965	1.9
520.21088	1.2
522.22772	1.3
524.23969	7.7
536.20190	4.6
550.21881	100.0
551.22583	48.0
551.28961	0.6
552.23169	1.5
568.22888	40.3
569.22479	1.4
593.29633	1.2
607.21698	2.6
625.22711	7.3
639.24329	3.7
657.25562	20.4
675.26691	7.2
707.29181	4.0
707.39270	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	2.9
58.99855	0.9
65.29938	0.7
69.03429	0.9
77.00895	1.0
81.03468	0.7
82.99864	1.8
84.96045	1.1
85.02904	1.0
91.05482	0.8
95.04949	1.2
97.02899	1.1
98.21547	1.6
98.97580	6.2
101.00873	6.9
105.03394	4.7
109.02895	1.0
113.00858	1.1
115.02457	1.3
116.98632	4.7
119.01926	33.7
119.08577	1.2
127.96309	0.7
128.98601	3.0
129.00301	0.8
129.04025	0.7
131.00157	1.0
131.01900	9.8
133.03476	1.5
134.99687	1.1
135.11685	1.0
137.02957	7.6
143.00200	1.1
143.01901	23.4
145.03517	8.6
146.99623	2.0
147.01419	1.3
147.04407	3.0
149.02965	3.1
155.01892	12.6
157.03499	5.5
158.99675	1.6
161.02968	69.2
162.03134	1.2
163.04529	2.9
167.01924	4.8
169.03484	2.3
170.99672	1.3
171.05067	4.4
173.02974	34.1
175.03131	0.7
175.04518	4.3
177.00735	2.6
177.05466	2.2
177.12775	1.2
179.01941	2.1
179.04010	2.5
184.04533	4.5
185.02972	40.4
185.06502	1.2
186.03096	1.4
187.00883	1.7
187.04515	4.8
189.00742	1.6
189.06032	1.5
191.03999	5.8
195.08740	1.2
196.04565	1.9
196.80081	0.9
197.02953	14.2
197.06648	0.8
201.00739	1.7
203.02281	1.7
203.04001	23.5
205.01964	6.8
209.03026	1.0
213.09694	1.6
215.04036	8.9
215.07661	0.8
219.01762	6.6
221.03241	1.1
221.05080	8.4
223.02921	0.9
227.04066	7.9
227.11324	0.9
235.02934	1.0
235.11806	4.3
237.02835	12.1
238.03395	0.9
239.03992	1.1
239.07780	1.0
241.05618	2.0
245.05086	100.0
246.05293	2.9
247.03035	1.8
253.12854	10.4
255.03928	1.4
257.05066	4.3
261.02896	2.3
261.09729	2.2
263.06137	25.3
263.08862	1.5
264.06351	1.1
265.04031	0.9
275.06229	10.5
277.12888	7.8
279.03842	6.5
279.10776	6.2
283.06638	0.9
286.07718	2.2
287.06137	1.7
289.04044	2.4
291.03699	0.8
293.07153	2.7
295.14008	4.8
297.11890	8.2
303.10703	1.8
305.07254	12.5
307.05069	8.7
311.07141	0.9
315.12949	6.3
317.07047	1.8
321.05063	2.9
321.11859	6.7
325.06171	1.5
331.14142	0.9
335.08362	4.7
339.12946	12.8
351.11926	2.4
357.14117	1.2
362.14673	1.5
365.09384	14.3
369.14148	0.9
381.13977	3.0
383.11639	2.3
423.15060	3.7
425.11438	13.3
441.16028	6.1
459.17487	1.0
469.10403	39.7
470.10294	1.7
499.14755	1.7
517.22772	1.9
603.21417	6.0
621.21832	1.3
707.22150	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	6.1
57.07088	4.5
57.07309	0.7
59.05006	8.6
64.13991	0.9
65.03934	1.6
66.21128	0.9
67.05511	10.6
69.03424	1.3
69.07074	12.1
69.34509	0.8
69.63895	6.2
71.04991	2.3
74.83109	1.0
79.05498	3.1
80.28236	0.8
81.03413	1.1
81.07056	4.8
83.04987	1.7
83.08633	1.1
85.06551	6.5
91.05487	7.0
93.07041	4.0
95.08606	4.5
97.02916	0.9
97.06565	1.3
103.05445	1.2
104.76115	0.9
105.07025	2.5
107.04991	1.2
107.08601	2.0
109.10167	2.7
111.11744	2.3
112.13553	0.9
115.05463	2.2
117.07010	2.5
119.04952	2.2
119.08604	1.7
121.10147	3.2
123.11742	2.5
128.06229	1.7
129.07018	2.5
131.04930	9.7
131.08594	1.5
133.06516	1.1
133.10138	1.6
141.07021	1.7
142.07898	0.9
143.04958	1.4
143.08537	1.6
145.06439	1.7
147.04410	11.9
147.11668	0.9
154.57162	0.8
155.08516	1.2
157.06479	1.5
159.04431	15.4
163.03902	5.5
165.06989	1.0
169.10220	0.9
171.04453	2.4
171.08130	1.4
173.05984	4.2
175.03914	100.0
177.05492	8.0
183.08127	1.1
185.06061	2.1
187.03918	49.7
187.07521	3.2
189.01804	2.6
189.05441	9.8
197.06061	1.0
198.06703	1.7
199.03925	16.2
199.07547	3.6
201.05493	10.8
203.03441	4.0
203.07005	2.3
211.07600	3.2
212.04659	2.8
213.05496	14.6
213.09113	3.6
214.06320	1.4
215.07048	7.8
217.05074	1.0
217.08664	4.3
225.09187	1.6
226.06232	6.2
227.07039	8.8
228.07819	3.0
229.05165	1.3
229.08609	30.9
231.06557	1.6
231.10150	6.4
239.07065	3.7
241.08600	38.2
243.10197	34.8
245.05525	1.1
245.08099	35.7
247.09663	38.5
253.08611	5.4
255.10103	3.6
257.08118	5.5
259.09598	8.0
269.11865	1.1
271.09824	1.2
271.13037	1.0
295.13287	16.9
313.14349	92.0
318.27426	0.9
331.15451	13.8
528.76190	0.9
544.36877	1.1
614.09222	0.9
622.52148	0.9
706.41632	1.5
727.11920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.05506	4.0
57.07063	2.9
59.04986	2.1
65.03937	2.5
67.05506	10.2
69.07069	4.1
71.04984	1.5
71.27477	1.3
71.97491	0.5
79.05479	1.8
81.07050	1.7
83.01334	0.9
83.05000	0.6
83.08630	0.8
85.02882	0.5
85.06549	8.2
89.08649	0.5
91.05469	4.6
93.07050	0.9
95.08592	1.3
103.05446	0.8
105.07012	1.3
109.10146	1.8
111.11709	0.9
115.05445	0.9
119.04958	3.0
121.06433	0.9
121.10139	2.1
123.11654	0.6
128.06166	0.9
129.07030	1.1
131.04924	6.0
131.08546	0.7
133.06502	0.8
133.10095	0.6
141.07034	0.7
143.04866	0.6
143.08554	0.6
145.06497	1.1
147.04407	10.5
152.06137	0.7
153.72029	0.5
155.08629	0.9
159.04419	9.2
161.05916	1.4
163.03918	4.6
167.08527	0.8
171.04428	2.0
171.08003	0.6
173.05975	2.6
175.03905	100.0
176.04587	1.2
177.05479	9.5
185.06059	1.3
185.09569	0.8
187.03905	29.6
187.07426	2.8
189.05458	11.5
197.06104	0.9
198.06723	0.8
199.03908	8.1
199.07516	0.7
201.05467	6.6
201.09071	1.1
203.03401	4.9
203.07063	3.8
203.10620	0.8
211.07599	1.5
212.04749	0.5
213.05484	4.4
213.09158	1.6
214.06194	0.7
215.07045	3.0
216.06583	0.7
217.04961	1.5
217.08585	2.3
223.07555	1.2
226.06232	7.0
227.07066	2.2
228.07773	2.8
229.08594	24.2
231.10184	8.3
239.07082	1.1
241.08591	27.5
243.10172	23.0
245.08109	5.0
247.09663	56.1
253.08646	2.7
255.10162	4.5
257.08075	1.4
259.09692	7.2
261.11148	0.8
265.10629	1.0
267.10117	0.7
269.11859	1.3
271.09613	1.6
273.11087	1.4
295.13312	9.9
313.14331	36.2
314.14749	1.0
331.15381	21.5
544.36035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83316	2.1
57.42566	1.8
64.70758	1.9
71.54183	1.8
71.54612	2.9
71.54984	2.1
110.05508	2.0
110.56798	2.0
152.25835	2.4
166.05708	2.4
268.35040	2.0
325.07471	2.6
339.22388	2.0
353.13580	44.3
475.11328	2.3
644.62347	2.5
705.39624	100.0
706.39899	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	705.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
51.43193	0.8
53.03925	3.0
55.01862	2.5
55.05508	7.2
56.96574	1.8
57.03422	1.3
57.07076	2.1
61.02903	0.9
63.14225	0.9
65.09316	0.8
67.05508	13.8
69.03426	8.4
69.07065	7.3
70.06579	1.4
71.04980	4.0
71.51641	1.3
73.02899	1.0
79.05493	8.9
81.03425	10.3
81.07059	17.5
81.61584	0.9
83.04982	1.9
83.08615	5.1
84.08160	1.8
85.02905	16.2
85.06520	1.1
87.00832	6.2
89.96699	0.9
91.05485	10.5
93.03415	1.0
93.07043	17.1
95.04966	4.1
95.08608	41.0
97.02879	5.7
97.06519	2.4
97.10149	1.8
99.04446	3.3
99.08071	1.3
104.04977	2.4
105.01876	10.5
105.03393	45.4
105.07035	12.7
106.03698	1.1
107.08597	26.0
109.02893	7.6
109.06514	3.2
109.10158	39.7
111.08047	3.8
112.11246	1.8
113.46118	0.8
117.07025	1.6
119.08587	19.2
121.06520	0.9
121.10146	45.6
123.08078	20.1
123.11710	15.5
125.09617	3.2
127.03924	12.5
129.06992	1.0
131.08543	4.0
133.06503	1.1
133.10129	17.7
134.05984	2.6
135.08081	2.3
135.11687	12.7
137.09608	1.2
137.13251	5.6
143.08549	1.2
145.04950	6.2
145.10114	6.3
147.07951	1.0
147.11700	14.2
148.18665	0.9
149.09631	13.4
149.13242	9.7
151.11179	4.0
151.14764	5.1
153.01859	1.1
157.10135	1.9
159.02911	3.4
159.11700	8.3
161.09570	1.5
161.13252	8.9
162.09146	14.9
163.11198	2.5
163.14816	4.3
165.12599	0.9
167.10643	9.6
171.11667	3.9
173.09615	2.1
173.13255	5.1
175.11165	3.0
175.14813	6.5
176.10667	3.5
177.12773	2.4
177.16383	2.9
181.12236	1.0
183.11705	1.7
185.13220	1.4
187.14799	3.1
189.12762	1.7
189.16386	4.0
191.14268	1.3
191.17953	2.3
193.12236	4.4
196.02821	3.9
197.13298	1.2
199.14844	2.0
201.16348	3.5
202.74521	1.0
203.14233	1.4
203.17952	8.9
205.15884	2.2
205.29321	1.0
207.06468	1.6
207.13757	1.4
210.04395	2.2
213.16359	1.2
214.03835	3.1
215.17943	2.8
217.12204	1.1
217.15961	1.1
217.19463	13.8
221.15353	3.3
227.17850	1.1
229.15886	3.0
231.04964	3.1
236.05939	1.1
239.17809	1.2
241.19447	1.6
243.17459	2.0
245.22606	1.3
247.16957	1.5
248.59985	1.7
249.06052	1.6
250.07449	2.9
257.60464	6.1
261.09167	1.9
266.60910	2.6
269.18848	1.0
271.06021	4.5
271.20676	1.0
271.24075	1.1
279.10190	2.5
285.25821	1.3
287.20044	7.0
289.21533	1.4
309.25803	1.0
311.27286	4.3
321.09161	1.0
339.10104	3.9
353.11807	5.1
357.11368	2.8
371.12613	2.8
393.15146	1.1
393.34979	2.0
395.33090	4.6
403.33545	2.1
421.34677	19.1
422.35019	1.4
439.35730	100.0
440.35898	4.8
457.36893	5.2
469.22479	1.2
477.21738	78.3
477.71930	14.8
496.18863	4.0
514.20044	2.0
687.40479	2.6
705.41284	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	705.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33240	0.4
53.03941	0.5
55.01861	0.5
55.05507	1.0
57.03434	0.4
67.05516	2.0
69.03418	1.7
69.07042	1.1
69.34093	2.5
69.34502	0.9
70.06593	1.1
73.02923	0.4
79.05493	2.0
81.03428	2.2
81.07066	2.3
83.04993	0.4
84.04523	0.4
84.08134	0.7
85.02896	1.8
87.00800	0.5
91.05473	2.4
93.07028	1.9
94.06557	1.5
95.04965	1.4
95.08601	2.4
97.02899	0.9
97.06524	0.5
99.04443	0.7
100.59667	0.4
103.05453	0.5
105.03389	0.8
105.07040	2.3
107.04949	0.6
107.07345	2.3
107.08576	1.8
108.08128	1.4
109.02880	1.4
109.06533	0.8
109.10152	1.9
111.02460	0.3
116.07046	0.4
117.07011	0.8
119.04948	0.7
119.08593	1.6
120.08109	3.5
121.06519	1.1
121.10127	1.8
122.06072	0.7
122.09669	3.1
123.08105	0.4
123.11739	1.2
127.03912	1.5
131.04910	0.4
131.07384	0.4
131.08545	0.9
133.02849	0.7
133.06416	0.6
133.10147	1.5
134.06030	0.5
135.04399	0.7
135.08089	0.7
135.11670	0.9
136.07559	1.1
144.08080	0.5
145.05020	0.4
145.06410	0.5
145.10162	1.7
146.95769	0.4
147.04424	1.1
147.08000	0.5
147.11703	1.1
148.07578	4.1
149.08401	0.6
149.09656	0.7
149.13271	0.5
150.09138	19.0
151.03928	0.5
151.09459	0.5
152.07092	1.6
157.10150	0.6
159.11694	0.7
161.09720	0.7
161.13290	0.5
162.09131	0.5
164.07088	0.5
165.05554	0.4
165.09116	0.7
166.08604	0.5
167.07053	0.6
175.03908	0.7
189.09090	0.8
194.08206	1.8
196.09880	0.6
201.12848	0.4
202.08772	0.5
204.10320	0.5
205.12396	0.4
207.06581	1.5
211.08781	0.5
215.00786	0.4
215.10728	0.5
223.08842	0.9
235.08858	0.5
237.06593	0.9
239.08049	0.6
249.10341	0.5
250.07489	0.7
251.08203	2.2
252.08945	0.8
253.09665	0.9
255.07693	0.5
257.15503	0.8
258.15756	1.1
263.08267	0.9
265.06393	0.7
265.09802	1.3
267.07709	1.1
267.11154	0.6
271.05902	0.4
277.09836	0.9
278.06943	0.8
279.07651	2.3
280.08554	0.6
281.09195	0.9
283.07175	0.5
291.07803	0.7
293.09128	2.8
294.09897	0.5
295.10721	2.4
297.08783	0.5
305.09344	0.7
306.06622	0.6
306.09882	0.5
307.07193	0.6
308.08087	0.5
309.08859	0.8
313.12634	0.6
314.12979	0.7
314.16534	0.7
321.08759	1.2
325.08243	0.6
326.13065	0.8
327.13647	0.7
328.14639	1.2
338.13199	0.5
339.09949	1.6
340.14471	1.7
341.11627	2.6
341.15457	0.7
342.12289	1.2
342.16138	1.8
344.13776	0.6
349.08273	0.5
351.09668	0.5
353.11731	0.7
354.12418	1.9
355.13809	1.1
356.13910	3.3
356.17706	0.7
358.15509	0.9
366.12256	0.5
367.09357	2.5
367.14130	0.7
368.10385	0.8
368.14191	2.7
369.10577	3.0
369.15201	1.0
370.11499	0.9
370.15610	3.9
371.16571	0.9
372.17130	1.1
380.14099	0.5
381.11215	0.7
382.11646	0.7
382.15802	1.1
383.13501	0.9
384.13239	4.0
384.16858	0.7
386.14984	1.7
394.12161	0.6
395.13452	0.7
396.13531	2.7
397.14267	1.8
398.10507	0.4
398.15213	3.1
399.11496	4.2
399.16687	2.0
400.12268	0.8
400.16669	1.5
402.14404	1.4
410.15015	1.4
411.13010	0.9
412.12302	2.6
412.17471	0.8
413.13495	0.8
414.14087	1.2
414.18427	1.3
424.12985	0.7
425.13962	0.8
426.14792	3.4
427.15570	3.2
428.16071	1.5
429.14157	0.6
430.13956	1.8
438.14740	0.7
439.36032	0.5
440.16006	1.4
442.18591	2.4
443.15698	0.9
444.17935	0.4
454.13623	0.6
455.15295	0.9
456.15869	0.7
457.16403	0.7
458.17694	2.0
460.19345	0.9
468.15906	1.1
470.16977	1.2
471.15070	1.7
472.18887	3.4
472.68436	0.4
473.15732	0.8
484.14380	0.9
486.16846	5.8
488.18301	3.0
498.16238	0.5
499.15179	2.1
501.15457	1.5
503.18066	1.1
516.17670	28.9
517.18274	4.7
518.19373	1.2
531.17603	12.9
534.18896	1.7
548.20294	100.0
549.20581	4.4
579.22333	0.7
623.21381	0.9
641.22144	0.4
673.24243	0.5
705.40662	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06195	0.4
53.03926	0.5
55.05511	0.7
65.03921	0.5
67.05502	0.9
69.03429	0.8
69.07068	1.1
70.06577	1.9
70.10007	1.8
71.04952	0.6
72.25591	0.5
79.05488	1.2
80.15975	0.4
81.03413	1.5
81.07046	1.8
83.04978	0.7
84.04510	0.6
84.08146	0.9
84.49462	0.4
85.02889	1.9
85.06523	0.4
86.09695	0.7
91.05476	2.2
93.07053	1.5
94.06572	1.5
95.04957	1.1
95.08612	1.4
97.02898	0.8
97.06554	0.5
99.04437	0.9
103.05479	0.6
105.03374	0.8
105.07033	1.8
107.07350	1.6
107.08580	1.0
108.08121	2.5
109.02856	1.3
109.06506	0.7
109.10152	1.0
115.05367	0.5
116.10847	0.4
119.04960	1.2
119.08587	1.4
119.78831	0.4
120.08070	3.6
121.02846	0.6
121.06474	0.6
121.10117	0.9
122.06037	0.5
122.09669	2.3
123.11754	0.5
127.03930	1.3
128.07074	0.5
131.08575	0.6
133.10161	1.0
134.09601	0.7
136.07544	3.8
146.06001	0.6
147.04440	2.4
147.11719	0.6
148.07602	2.6
150.09135	15.0
151.03873	0.7
151.11194	0.6
152.07065	0.7
157.10037	0.6
161.09625	0.5
164.07086	0.8
164.10864	0.5
166.08633	0.8
174.09137	0.6
175.03909	1.2
176.07072	0.7
193.04953	0.6
194.08133	2.0
196.09819	0.5
207.06555	1.9
215.10696	0.5
223.08699	1.0
235.08733	0.8
237.10306	1.3
238.11098	0.5
239.08141	1.0
245.08658	0.5
245.85594	0.5
248.09105	0.7
249.10236	1.1
251.08070	1.1
252.08821	0.5
253.09753	0.6
255.13879	0.8
263.08206	1.3
264.08868	1.0
265.09729	1.9
267.11282	1.2
271.06064	1.4
276.08972	0.7
277.09775	1.9
278.06879	0.7
278.10596	0.5
279.07742	2.2
279.11099	1.1
280.08511	1.0
281.09332	1.0
285.07559	2.7
287.05441	0.8
291.08078	0.6
293.09180	2.0
294.10107	0.7
295.10556	1.1
305.09262	1.3
306.09863	0.6
307.10770	0.8
309.12219	0.7
311.10712	0.6
319.10898	1.9
321.08786	1.6
323.10266	1.1
325.12012	0.9
326.12775	1.5
327.14050	0.6
328.14484	1.1
337.11725	0.7
339.09891	1.1
340.14532	1.7
341.11499	2.4
341.15384	0.9
342.12183	1.2
342.16043	2.2
344.17560	0.9
351.09933	0.9
353.11612	1.2
354.12454	1.6
355.13089	1.1
356.14078	2.9
357.14835	0.7
358.15555	1.0
365.11462	1.6
366.12256	0.8
367.09375	1.5
368.09988	0.8
368.14108	3.0
369.10696	3.2
369.14941	1.2
370.11661	0.9
370.15695	3.1
371.16364	0.7
372.17508	0.8
380.14157	0.7
381.10895	0.8
382.11615	1.1
382.15973	0.9
383.13147	0.8
384.13348	3.7
386.15207	1.7
395.12735	1.0
396.13358	3.6
397.14651	2.5
398.15292	2.7
399.11874	2.2
399.16156	2.2
400.12299	0.7
400.16776	1.5
402.14606	1.0
410.15350	0.9
411.12482	0.7
412.12033	2.7
414.14508	1.6
414.18851	1.1
424.13058	1.8
425.13843	1.5
426.14651	1.8
427.15591	2.9
428.16403	2.8
428.25412	0.6
429.14883	0.6
430.14047	1.7
438.14197	0.7
440.16119	1.8
442.18298	3.5
444.16559	0.6
455.15308	0.8
456.15775	1.5
457.15231	0.8
458.17172	1.8
460.18781	0.8
468.15683	0.9
471.15125	2.2
472.19070	3.3
473.75888	0.5
474.17078	0.6
486.16699	5.7
487.17905	0.9
488.18387	3.6
498.16681	1.2
499.15146	1.7
501.15240	1.4
503.17682	1.0
516.17688	28.8
517.18353	5.8
518.18994	1.6
531.17719	7.9
534.18896	1.7
548.20294	100.0
549.20770	3.3
605.42981	0.7
623.21576	2.7
641.22577	1.7
673.24530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
53.03930	1.6
54.41570	0.4
55.05510	0.7
56.05019	0.5
66.59892	0.4
69.19537	0.9
69.19936	4.4
70.06593	0.6
72.08142	0.6
77.03919	0.9
79.05447	0.6
81.03384	0.6
81.07030	0.8
82.07388	0.4
84.08153	1.0
91.05456	0.6
95.04965	3.9
95.08595	0.5
98.09668	0.8
100.80102	0.4
105.03383	100.0
106.03730	1.1
110.09670	10.1
134.06012	1.6
148.07587	1.7
161.10739	0.5
162.09123	14.6
174.09138	19.3
176.10710	8.3
177.10121	0.6
179.11769	1.3
191.11815	2.7
205.13380	1.5
219.14999	0.7
231.14911	31.7
232.15208	0.6
335.86221	0.5
336.20963	0.4
354.21878	1.8
370.21237	2.5
374.37082	0.4
509.76801	0.4
686.28687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66458	0.2
67.05483	0.4
68.62180	0.2
70.02045	1.1
70.06567	0.3
73.79937	0.2
79.05486	0.3
81.07056	0.4
85.02860	0.2
91.05485	0.5
91.44717	0.2
93.05795	0.6
93.07004	0.3
94.06551	0.7
95.04983	0.3
105.07006	0.3
107.07284	0.3
107.08572	0.3
108.08123	4.4
109.66282	0.2
115.23584	0.2
119.04975	0.3
120.08057	0.2
121.02837	0.2
122.06098	0.4
122.09672	0.3
129.79836	0.2
133.10048	0.3
135.06787	0.5
136.07584	6.8
147.04391	0.3
148.07585	0.4
150.09114	0.6
152.07057	0.3
162.05499	0.4
162.09081	0.2
163.06253	0.2
164.07071	1.1
166.08554	0.3
172.86943	0.2
175.03903	0.6
178.08636	0.3
197.10608	0.2
200.09207	0.3
204.06563	0.5
204.10155	0.2
207.06540	0.9
211.08696	0.2
221.10808	0.4
223.08705	0.4
225.10294	0.3
235.08618	1.0
236.09435	0.7
237.10216	2.9
238.11020	0.3
247.08752	0.6
248.09515	1.2
249.10265	3.8
250.11031	0.5
251.08221	0.5
251.11871	0.7
252.08865	0.2
261.10211	0.9
262.11078	0.3
263.08182	0.9
263.11734	0.8
264.08951	2.2
265.09695	3.3
266.10556	1.4
267.11240	0.4
275.08075	0.5
276.08926	2.4
277.09708	5.1
278.10443	1.7
279.08176	0.3
279.11267	2.0
280.12024	0.9
281.12833	0.4
282.10062	0.2
289.09735	0.7
291.07690	0.8
291.11313	1.5
292.08432	0.7
292.11545	0.2
293.09232	1.9
293.12897	1.4
294.09991	0.8
295.10785	0.3
297.09064	0.3
297.12302	0.4
298.13239	0.3
300.14825	0.2
304.08472	1.3
305.09180	2.2
306.09872	0.4
307.10754	3.4
308.11502	0.3
309.08917	0.4
309.12366	0.5
311.10773	0.4
312.11511	0.3
313.12137	0.4
319.07321	0.3
319.10748	7.5
320.11380	0.6
321.08710	0.5
321.12073	1.1
323.10504	0.4
324.11414	0.4
325.12024	1.1
326.12778	1.9
326.16150	0.2
327.13715	0.6
328.14355	1.3
332.07813	0.5
333.08691	0.9
335.10281	1.3
337.12003	0.8
338.12769	1.6
339.10110	0.5
339.13528	1.1
340.11008	0.4
340.14511	1.4
341.11670	1.1
341.14972	0.5
342.12341	0.7
342.16064	1.2
343.13214	0.3
344.13858	0.3
344.17743	0.3
347.10257	2.4
351.09750	1.4
352.14676	1.0
353.11432	2.4
353.15314	0.4
354.12381	4.0
354.16275	0.5
355.13187	1.6
356.13913	2.9
356.17691	0.3
357.14520	0.6
358.15509	0.5
363.09695	0.4
365.11328	5.8
366.12210	1.3
367.13126	1.1
368.09903	0.5
368.13977	3.4
369.10721	0.4
369.14865	1.1
370.11697	0.5
370.15567	2.7
371.16376	0.5
372.13184	0.3
372.17297	0.6
378.12439	0.3
380.14044	1.3
381.10193	1.0
381.15237	0.3
382.11499	3.1
382.16266	1.4
383.12418	1.6
383.17023	0.3
384.13351	2.4
384.17282	0.3
385.14172	0.5
386.14511	1.0
386.18976	0.7
387.15814	0.3
392.14038	0.4
394.11618	0.4
395.12848	0.8
396.13370	5.1
396.18137	0.4
397.14224	1.1
398.15082	3.2
399.15906	0.6
400.16785	2.3
401.17529	0.6
408.13654	0.5
409.14340	0.7
410.10355	1.1
410.16071	1.1
411.11926	0.8
411.15909	0.7
412.11902	1.3
412.16779	0.9
413.13583	0.4
414.14294	0.9
414.18222	1.4
416.19873	0.6
420.13678	0.4
423.12341	0.3
424.12555	1.8
426.14172	2.3
427.15479	1.0
428.16821	2.0
429.16864	0.8
430.13641	0.3
430.18149	0.4
438.15070	0.4
439.15497	0.7
440.16580	2.0
442.13849	1.0
442.18460	0.7
444.19864	1.6
445.16782	0.3
452.12128	1.4
454.13623	0.6
455.14658	0.5
456.11984	1.2
457.16635	0.3
458.17313	0.7
460.19348	1.1
468.15521	0.5
470.12576	2.2
471.13885	0.5
472.18857	1.0
473.15762	0.4
474.16641	0.4
480.15781	0.3
483.14703	0.3
484.15134	0.3
486.17026	1.3
488.18057	2.9
498.16641	0.9
501.15421	0.7
516.17682	20.6
517.18420	4.6
518.18890	0.5
534.18604	3.3
535.18524	0.2
548.20294	100.0
549.20642	3.9
579.22687	0.2
605.20367	0.8
623.21265	2.3
641.22015	0.8
664.46741	0.3
673.24982	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03951	3.0
55.01873	2.7
55.05267	0.4
55.05510	3.8
57.03424	2.0
57.07064	0.7
61.02923	1.3
64.22685	0.4
65.03935	0.9
67.05505	7.6
68.99793	0.8
69.03426	11.5
69.07062	5.2
70.06587	1.9
70.07370	0.4
70.97243	0.8
70.97579	0.7
71.01360	0.5
71.04985	1.7
72.08144	0.5
73.02917	1.8
77.03913	0.5
79.05485	5.5
81.03415	10.2
81.03869	0.8
81.07054	9.1
82.03751	0.5
83.01337	0.4
83.04972	1.5
83.08619	2.2
84.08138	0.8
85.02903	15.4
85.06532	1.2
86.03252	1.1
86.09715	0.6
87.00838	4.9
87.04472	1.0
89.06039	0.6
91.05481	10.4
93.07042	15.3
93.07643	0.8
95.04979	3.8
95.07996	0.8
95.08602	16.1
97.02884	8.6
97.06520	0.9
97.10162	0.8
98.03230	0.5
99.04447	3.7
103.03947	0.5
103.05473	1.2
105.01866	6.3
105.03383	1.3
105.07027	12.1
106.02221	0.9
106.07314	0.4
107.04953	1.4
107.08588	16.0
107.23270	0.4
109.02876	8.2
109.06487	1.8
109.10152	17.2
110.03208	1.1
110.10473	0.4
111.04427	0.5
111.08047	0.5
111.11711	0.7
113.03507	0.5
115.05448	0.5
116.07160	0.5
116.10725	0.3
117.01913	0.7
117.03321	0.4
117.07004	2.7
118.92754	0.3
119.04916	2.2
119.08578	18.9
120.08104	0.5
121.02887	1.0
121.06503	2.1
121.10136	11.4
123.04391	0.5
123.08072	2.5
123.11719	4.3
125.05975	0.5
125.09619	0.6
127.03918	13.1
128.04268	1.8
128.06204	0.6
129.01875	1.0
129.07010	0.9
131.08566	3.3
133.02855	1.3
133.06490	1.7
133.10130	11.8
133.11104	0.7
135.04456	1.0
135.08049	5.5
135.11685	5.3
136.07626	0.6
137.05995	0.8
137.09613	4.5
137.13271	1.3
141.01833	0.6
141.07059	0.3
142.07802	1.0
143.08557	2.0
144.05759	0.5
145.02864	1.2
145.04945	4.4
145.06488	1.0
145.10123	4.7
146.05276	0.8
147.02890	0.4
147.04420	2.2
147.08055	4.5
147.11681	6.7
149.05972	0.9
149.09615	2.3
149.13266	2.1
151.03899	6.2
151.04994	0.6
151.07581	0.5
151.14809	0.5
151.52180	0.4
152.04257	1.7
152.86378	0.3
153.01840	0.6
155.08517	0.8
157.10077	1.9
159.02884	2.9
159.04240	0.5
159.08098	1.7
159.11670	4.4
161.06091	0.5
161.09605	3.3
161.13235	4.3
163.11168	1.1
163.14842	1.0
165.05479	2.3
165.09113	4.6
165.69063	0.4
166.05862	0.9
167.03343	0.6
167.07121	1.0
167.10674	0.4
169.10161	1.4
171.08096	0.4
171.11728	1.1
173.05981	0.6
173.09633	1.3
173.13219	1.9
175.03883	1.8
175.07497	0.4
175.11232	1.6
175.14825	2.0
177.05470	3.1
177.16415	1.0
179.07053	0.8
179.10753	0.8
181.04965	0.6
183.11719	1.2
185.08206	0.4
185.09682	0.7
185.13277	1.6
186.71234	0.4
187.06026	0.7
187.11203	1.2
187.14893	1.4
189.09177	1.1
189.12761	1.5
189.16383	1.1
191.06963	0.4
191.14369	0.7
193.08542	0.9
194.09082	0.5
195.11824	0.5
197.13286	0.6
199.11145	1.2
199.14767	1.0
201.09146	0.4
201.12708	0.9
201.16397	1.4
203.10701	0.9
203.14259	0.7
203.17984	1.8
205.05090	0.4
205.12347	0.6
207.06549	2.9
207.10176	0.8
207.13849	1.0
210.14186	0.4
211.10959	0.8
211.14865	0.6
213.04028	0.5
213.12781	0.8
213.16428	0.7
215.10864	0.5
215.14378	1.1
215.18034	0.6
217.08884	0.4
217.12270	4.7
217.15886	0.3
217.19516	0.9
225.12825	0.4
225.16434	0.5
227.14336	0.5
227.17984	0.5
229.08620	0.5
231.04916	2.0
231.13760	0.5
232.05437	0.8
233.15500	1.2
243.17619	0.5
249.06111	0.7
255.13751	0.5
257.15311	2.2
257.22769	0.7
258.15796	2.1
269.11938	0.5
271.05875	2.4
275.16489	1.6
276.16748	1.6
285.18655	0.6
287.05481	1.8
293.24796	0.5
299.05692	1.1
325.00684	0.5
365.41180	0.4
367.82236	0.4
394.10059	0.4
401.31747	0.4
419.33038	1.6
437.34241	5.7
438.34866	0.4
455.35760	0.6
470.75128	0.4
506.21103	1.0
555.50055	0.4
599.39508	0.8
617.40546	2.0
659.41486	18.7
660.41949	1.0
703.40485	100.0
704.40649	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	703.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03936	2.6
55.01860	1.2
55.05511	2.7
56.96585	0.3
57.03437	1.8
57.07071	1.1
61.02938	0.6
65.03938	0.7
67.05502	7.8
68.99783	0.6
69.03426	8.0
69.07065	3.9
70.06593	0.6
71.04987	1.5
71.52246	0.3
73.02908	2.0
77.03934	0.4
79.05490	4.0
81.02986	0.6
81.03422	7.6
81.07056	8.8
82.75397	0.4
83.04990	0.9
83.08624	1.9
84.08121	0.5
84.12098	0.3
85.02908	9.3
85.06554	0.5
87.00829	4.2
87.04448	0.4
91.03956	0.6
91.05480	6.3
92.35044	0.3
93.07047	12.2
95.04967	8.7
95.08611	14.1
97.02902	4.8
97.06528	0.7
97.10164	1.2
99.04482	3.1
103.05461	0.4
105.01855	1.9
105.07030	9.5
107.04958	0.9
107.08593	11.7
109.02879	7.8
109.06525	1.7
109.10159	16.2
111.04439	0.4
111.08088	0.4
111.11724	0.4
112.75094	0.3
115.05447	0.5
115.47134	0.4
117.01840	0.7
117.07013	1.7
119.08583	14.7
121.06514	1.5
121.10145	10.7
123.08064	5.6
123.11709	3.9
127.03920	9.1
128.06287	0.4
129.01900	0.6
129.06998	1.0
130.07741	0.5
131.08559	3.2
133.06502	1.4
133.10133	12.7
135.08043	4.6
135.11699	6.9
137.09644	1.5
137.13246	1.9
139.07593	0.5
141.07005	0.5
142.07835	1.0
143.08578	1.5
144.09299	0.5
145.04982	2.0
145.06506	1.3
145.10126	4.7
147.08060	3.5
147.11687	6.1
149.05956	0.6
149.09625	2.8
149.13260	2.5
151.07552	3.6
151.14859	0.8
155.08601	1.0
157.10127	2.8
159.02927	2.3
159.08069	1.8
159.11697	3.5
161.09613	2.2
161.13272	4.7
163.11270	0.8
163.14835	1.1
165.09091	0.7
167.10733	0.4
171.11734	1.8
173.09656	1.5
173.13295	2.1
175.03918	0.4
175.11203	2.3
175.14787	1.9
177.12689	0.5
177.16428	0.9
183.11688	0.9
185.09700	0.5
185.13284	1.1
187.11230	1.5
187.14882	1.6
189.12761	0.9
189.16385	0.8
191.10652	0.4
191.14308	0.5
195.11771	0.6
197.13248	1.1
199.11183	1.0
199.14880	1.0
201.12805	0.8
201.16457	1.4
202.84631	0.4
203.14304	0.3
203.17973	2.4
207.13782	0.5
213.03940	0.5
213.12918	0.4
215.14400	1.2
215.18085	0.7
217.12358	0.7
217.19504	1.7
222.14415	0.4
225.16524	0.4
227.14400	0.4
231.04941	0.9
233.15193	0.5
241.15779	0.4
243.17464	1.0
257.22540	0.4
257.81696	0.4
271.24246	0.8
293.24762	0.4
419.33084	1.2
437.34161	3.8
444.52820	0.4
455.34946	0.6
508.50632	0.4
659.41595	8.1
685.39539	0.4
703.40503	100.0
704.40778	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	702.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
53.03933	1.6
55.01853	1.4
55.05510	2.9
57.03416	0.8
57.07063	0.9
61.02916	0.5
65.03919	0.5
67.05496	5.0
69.03427	6.4
69.07066	15.5
69.47267	2.8
70.06584	2.9
71.04980	0.7
72.34731	0.4
73.02896	0.5
77.03888	2.3
79.05488	4.0
80.05882	0.5
81.03414	12.0
81.07052	7.0
83.04997	2.2
83.08628	2.1
84.04506	0.7
84.08138	0.8
85.02896	5.8
86.09695	0.7
91.05472	4.4
92.05801	0.4
93.07038	4.1
95.01295	0.5
95.04963	2.8
95.08611	6.6
96.08926	0.5
97.02888	4.1
97.06523	1.0
97.10143	0.7
99.04433	1.9
100.77309	0.4
103.05441	1.2
105.03394	2.5
105.07033	4.6
106.55402	0.4
107.04947	5.6
107.08595	3.0
109.02879	6.7
109.06490	1.3
109.10154	9.8
111.04408	1.1
111.07992	0.5
116.07053	0.5
117.06998	2.1
119.04933	2.1
119.08561	2.8
120.08108	0.6
121.02839	1.0
121.06516	2.9
121.10147	2.8
123.04403	1.7
123.08043	1.5
123.11712	6.5
125.05968	0.6
127.03928	5.2
129.05484	0.5
130.07745	0.6
131.04916	1.6
131.08530	2.7
133.02849	41.9
133.06488	6.3
133.10129	1.3
134.03285	0.8
135.04411	33.7
135.08040	1.4
135.11670	1.2
136.07529	0.6
137.05978	1.0
137.09608	0.5
141.07011	0.6
143.08562	1.3
144.05713	1.3
145.02863	0.6
145.04956	0.9
145.06470	7.8
145.10118	5.1
146.07214	0.7
147.04414	10.2
147.08023	6.5
147.11673	1.0
149.05995	3.3
149.09613	1.8
151.03897	31.3
151.07538	0.7
151.11188	0.6
153.05467	0.8
155.05977	0.5
155.08537	1.5
157.06442	1.2
157.10107	0.9
158.07237	3.5
159.04422	0.8
159.08054	10.4
159.11707	1.8
161.05981	4.6
161.09618	4.9
161.13249	0.6
163.03900	0.9
163.07513	1.2
163.11195	0.5
164.28006	0.4
165.05502	3.3
165.09109	3.1
165.12811	0.4
167.07014	0.7
169.06493	0.5
169.10124	0.5
171.08043	2.4
171.11710	0.6
173.05992	2.5
173.09628	8.4
173.13255	0.5
174.05449	0.8
175.03925	1.6
175.07539	9.4
175.11104	1.2
177.05432	1.5
177.09081	1.4
179.07027	1.1
179.08521	0.6
183.08014	2.8
185.09596	1.3
187.07538	4.5
187.11122	3.2
189.09097	52.5
190.09375	0.6
191.07008	2.2
191.10616	0.5
193.08525	0.7
195.10146	0.6
197.09644	1.0
199.07587	0.6
199.11185	0.6
199.14740	0.5
201.09091	29.7
202.09428	0.9
205.12325	0.4
207.06537	2.2
209.09592	0.6
211.11108	0.7
213.09090	0.6
213.12733	1.6
215.10747	2.0
215.14281	5.1
217.05040	0.5
217.08449	0.7
219.10097	0.9
221.13269	0.5
225.12866	0.5
227.14374	0.7
229.08401	0.5
229.15878	1.2
231.13797	0.8
233.15382	0.6
239.14253	1.3
243.13806	0.5
243.37434	0.4
253.12131	0.8
255.13791	1.7
257.15350	100.0
258.15698	3.6
267.13614	0.6
269.15335	1.4
271.06018	1.3
271.13211	0.4
273.14810	1.5
275.16440	1.3
277.07016	1.8
281.15247	1.0
285.14755	0.7
287.16345	1.1
293.15298	0.9
295.08151	2.0
297.09589	0.6
297.14871	1.0
299.16415	1.7
303.16006	0.6
309.14929	0.6
311.16272	1.0
313.09705	0.5
315.15869	2.2
317.17526	0.7
319.16751	0.6
323.16373	0.9
325.14374	0.5
333.13544	0.6
333.17114	0.6
337.17834	0.5
339.15762	0.5
341.17371	0.7
347.16345	1.7
353.17395	0.9
365.17456	7.8
377.45117	0.5
378.81558	0.5
383.18506	8.8
384.19043	0.5
401.19601	14.6
402.19855	1.1
419.20676	15.0
420.20825	0.6
462.05896	0.5
489.87457	0.5
545.23663	0.7
563.24603	1.3
581.25897	1.9
702.39307	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97176	0.2
55.05510	0.4
67.05499	0.8
69.71162	0.3
70.06583	0.5
71.52598	0.5
71.53006	0.4
74.12733	0.3
79.05515	0.6
81.03416	0.4
81.07034	0.8
85.07662	0.4
93.07054	0.5
95.08593	0.6
100.26260	0.3
107.08581	0.5
109.10121	0.4
117.07059	0.4
131.08549	0.3
185.04222	0.8
200.10800	0.4
203.05281	2.1
241.57329	0.3
259.07932	1.4
286.08224	0.3
305.08099	0.3
321.22778	0.4
347.09512	1.4
353.13644	3.3
365.10608	2.8
371.14688	6.2
385.16113	0.7
403.85562	0.4
421.13116	1.0
442.74951	0.3
539.31909	20.3
540.32391	0.7
701.37787	100.0
702.27631	1.0
702.39117	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	702.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.8
55.01870	11.5
55.05503	4.2
57.03438	6.3
61.02920	7.3
66.53944	1.1
67.05510	6.2
68.99780	4.3
69.03430	36.7
69.07064	9.8
70.06586	4.7
70.10609	1.2
70.84261	2.5
71.01366	1.6
71.04987	6.6
72.08124	1.8
73.02912	7.1
74.33666	1.1
77.03931	2.4
79.05488	8.0
80.42865	1.0
81.03416	34.9
81.07053	11.4
82.06635	1.4
83.04998	3.9
83.08607	2.1
84.08119	1.4
85.02905	100.0
86.03242	1.2
86.09714	2.7
87.00828	42.3
87.04459	1.8
91.03959	2.7
91.05479	9.9
93.07053	10.4
95.04943	5.6
95.08604	9.6
97.02891	52.1
97.06552	2.2
97.10146	1.6
99.04449	18.2
103.05449	2.6
105.01865	56.2
105.03380	4.4
105.07026	6.5
107.04949	10.6
107.08576	4.3
109.02879	43.6
109.06496	2.4
109.10143	8.8
111.04449	1.4
111.11722	1.1
113.78557	1.1
115.03951	2.1
116.07076	1.4
117.01852	3.8
117.07030	2.2
119.04935	3.9
119.08582	6.0
120.08113	1.7
121.02842	1.5
121.06477	5.1
121.10139	4.3
123.04473	2.7
123.08081	1.8
123.11701	4.9
125.09682	1.1
126.05521	1.2
127.03915	80.3
128.04276	1.2
128.07076	2.4
128.77121	1.1
129.01846	5.1
129.07014	1.3
131.08565	2.5
133.02820	10.4
133.06488	4.5
133.10133	3.7
135.04410	6.9
135.08052	1.8
135.11668	1.5
137.05969	2.5
137.09575	1.6
137.13210	1.3
143.08502	1.6
145.04961	34.5
145.06279	1.6
145.06500	2.2
145.10143	5.2
147.02870	2.1
147.04405	5.0
147.08051	2.5
147.11696	3.1
149.05995	2.4
149.09592	2.6
151.03902	75.3
152.04185	1.2
153.01884	1.3
155.08548	1.7
157.10068	1.4
158.07283	1.3
159.02890	18.8
159.08047	3.8
159.11705	2.8
161.05986	3.6
161.09616	3.2
163.03925	1.1
165.05479	30.8
165.06868	2.3
165.09171	1.7
167.07027	2.3
169.04918	1.1
173.09622	2.8
173.13266	1.2
175.03947	3.4
175.07524	3.0
175.11244	2.6
177.04045	1.4
177.05466	2.6
179.07025	6.9
185.13335	1.5
189.03951	2.1
189.09142	8.5
191.07066	3.3
193.08614	10.8
199.14941	1.3
201.09109	6.0
205.08626	1.3
207.06573	4.9
213.03951	7.9
213.12875	1.2
215.10703	1.3
215.14220	2.1
219.10176	2.4
231.04994	22.4
244.05981	1.5
249.06030	4.7
253.07137	1.9
255.13785	1.8
257.15372	35.0
271.05911	2.6
275.16455	25.9
286.04651	1.2
287.05261	3.9
308.35623	1.0
319.98871	1.1
365.17566	4.2
383.18729	1.7
393.09796	4.5
394.10202	7.9
401.19656	2.9
469.18927	2.6
487.19754	6.2
505.20615	9.4
523.21619	2.1
702.40222	5.9
703.40356	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	701.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40196	0.3
64.41372	0.4
69.58477	1.6
69.58883	0.8
95.08679	0.4
98.20753	0.5
101.96227	0.4
104.17716	0.4
118.76514	0.4
133.49466	0.3
175.03925	0.6
198.02896	1.1
200.10728	0.6
217.44768	0.3
227.03221	1.5
234.24619	0.4
238.99478	0.6
239.87924	0.4
241.08495	0.4
241.61192	0.4
254.01961	0.9
268.07111	1.4
269.07971	0.6
286.08167	0.7
325.14145	0.4
339.08548	1.6
353.13593	30.4
354.14108	1.0
364.47610	0.4
371.14651	44.7
372.14960	2.3
385.16211	4.4
509.34915	0.4
543.43414	0.4
701.29260	100.0
702.29663	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	701.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05064	0.2
55.05513	0.3
59.05001	0.2
67.05497	0.3
70.09770	0.4
70.10179	0.7
76.29479	0.2
86.98767	0.2
91.05500	0.5
131.04955	0.3
147.04410	0.8
160.13536	0.2
169.95612	0.2
175.03902	3.1
177.05484	0.3
183.11575	0.2
187.03876	0.9
189.05499	0.3
198.02965	0.7
199.03891	0.2
201.05408	0.2
203.03400	0.2
225.01486	0.2
225.05214	0.2
227.03111	0.4
228.04048	0.2
229.08530	0.4
243.10176	0.4
267.06122	0.2
268.07034	1.6
269.07861	2.2
271.76733	0.2
297.07349	1.0
311.08850	1.5
329.17581	0.2
353.09201	0.4
353.13583	8.4
354.14133	0.4
371.14655	14.5
371.34869	0.2
372.15054	0.5
397.16214	0.3
441.18924	0.9
467.71744	0.2
677.33356	0.3
701.29279	100.0
702.29578	6.3
719.72113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61375	3.6
55.05489	6.3
56.35756	4.3
57.07060	6.6
67.05491	14.5
69.07065	7.5
71.05038	4.2
71.07972	8.8
71.08287	5.2
78.33248	3.6
82.03038	4.5
85.06534	12.4
91.05489	5.7
95.08620	6.7
112.71373	4.3
121.10091	4.3
131.04895	6.9
147.04413	7.0
159.04451	7.9
175.03911	100.0
187.03909	26.6
189.05522	7.0
199.03874	4.9
201.05463	6.1
203.03453	6.8
226.06235	10.1
229.08543	28.5
231.10208	6.1
241.08629	31.0
243.10175	22.2
245.08136	6.8
247.09642	51.5
255.10117	6.4
259.09677	8.9
295.13242	15.8
313.14322	37.7
331.15341	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	700.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40665	1.4
55.05500	4.9
57.03429	4.7
57.07076	36.9
57.42113	1.4
61.02926	14.1
67.05505	13.4
69.07061	7.8
71.08632	34.3
71.53721	2.5
73.02930	4.3
75.04486	4.4
79.05513	1.9
81.03403	1.7
81.07054	20.6
83.08617	10.4
85.02902	17.9
85.10175	18.9
88.48190	1.6
91.03961	12.9
93.07022	1.7
95.05861	1.3
95.08048	2.8
95.08608	26.0
97.02901	6.5
97.10183	10.5
99.11750	2.4
105.07028	1.5
109.10175	12.3
111.11711	3.9
116.02405	1.6
123.11716	8.0
125.13189	1.7
127.03915	5.8
136.06181	5.6
137.13228	2.1
145.04947	9.8
151.14877	1.4
163.06038	13.5
203.10431	1.7
211.83913	1.4
267.24152	2.0
267.26846	23.4
285.27954	6.1
305.38870	1.5
324.13065	1.6
341.30484	100.0
342.30969	2.7
359.31610	29.9
618.15247	1.5
700.44543	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	700.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.9
55.05503	7.9
57.07074	3.9
59.05014	4.9
63.20400	3.5
67.05505	20.6
69.07076	15.8
79.05505	3.9
81.07038	11.1
83.08591	6.2
85.06523	9.6
86.90633	3.8
91.05467	10.0
92.47106	3.4
93.07031	4.3
95.08585	9.3
107.08585	3.8
109.10162	5.0
119.08597	5.4
121.10136	4.8
124.00015	4.3
128.15875	3.4
131.04906	6.1
147.04378	10.8
159.04376	12.2
163.03899	8.4
175.03922	100.0
177.05492	10.2
187.03873	34.1
187.07591	6.1
189.05396	12.5
199.03885	11.5
201.05463	9.4
203.03302	6.2
207.15698	3.8
213.05508	7.0
215.07018	7.3
226.06319	8.1
227.06995	7.9
228.07729	4.7
229.08586	32.7
231.10194	7.9
241.08614	34.5
243.10194	23.0
245.08104	11.6
247.09708	35.0
259.09601	6.6
271.13434	3.8
294.47287	3.7
295.13229	10.4
313.14349	44.3
331.15356	14.2
636.24890	6.8
652.86108	4.5
700.42883	7.6
723.70087	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	698.5556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
53.21818	0.7
55.05503	4.1
55.87638	0.6
56.05019	2.4
57.07058	2.9
60.04503	0.9
60.78432	0.7
66.39172	0.7
67.05499	8.8
69.07063	4.2
70.06585	0.8
70.50954	0.6
70.82446	1.5
70.82788	0.9
71.08625	1.6
77.67264	0.7
79.05487	5.5
80.04993	2.8
81.05779	1.7
81.07050	7.0
82.06569	5.2
83.08598	2.6
83.39335	0.7
85.02880	1.0
85.10188	1.1
91.05482	6.9
93.07054	8.0
94.06562	20.0
95.04945	0.9
95.07323	2.7
95.08591	6.0
96.08128	3.6
97.10149	1.6
104.53352	0.7
105.07018	3.6
107.07310	0.7
107.08594	2.0
108.08102	2.4
109.10112	1.7
112.91586	0.7
119.08567	4.0
121.10168	2.5
122.09657	2.3
123.11706	0.8
125.88485	0.7
127.98647	0.6
130.71355	0.7
133.10143	2.8
135.11662	1.7
136.11208	1.0
177.31004	0.8
222.44394	0.7
234.22223	0.7
245.22653	1.5
248.50908	0.7
250.25319	4.5
256.26309	3.0
262.25290	100.0
263.25650	1.3
280.26343	7.6
416.35699	0.8
488.47919	2.3
500.48193	10.1
502.49551	1.7
518.49353	18.3
680.54590	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	698.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24655	0.9
53.03943	1.1
55.05513	20.2
57.03441	6.2
57.07078	15.0
61.02613	1.1
61.02927	20.8
67.05507	33.3
68.66833	0.9
68.82779	1.0
69.03421	2.9
69.07067	40.2
70.91202	1.0
71.04970	2.6
71.08630	10.1
71.53690	1.2
73.02919	7.4
73.06521	1.1
75.04451	2.0
77.92173	0.9
78.49443	0.9
79.05497	12.5
81.03411	3.4
81.06594	1.9
81.07059	35.5
83.04961	1.5
83.08153	2.0
83.08617	30.8
85.02437	1.8
85.02908	25.6
85.06561	1.3
85.07703	1.1
85.10187	6.1
91.03954	21.0
91.05495	2.7
93.07038	18.9
95.08606	40.6
97.02898	11.5
97.06528	6.0
97.10170	21.7
99.04424	1.4
99.08120	1.6
105.06965	1.1
107.05756	0.9
107.08605	15.7
109.02856	1.3
109.09473	1.8
109.10155	22.6
111.08064	5.1
111.11715	9.1
113.09679	1.2
121.10145	34.5
123.11704	8.7
125.09590	2.5
125.13275	2.3
127.03911	9.5
127.43944	1.0
129.09120	1.2
135.11690	23.6
135.12698	1.2
136.06192	20.9
137.13206	3.0
139.11165	2.6
145.04967	12.5
149.13240	11.9
151.14804	3.6
153.12691	1.9
163.06024	18.0
163.14822	5.1
165.16393	3.6
169.15855	1.2
170.79543	0.9
175.03917	1.2
177.16437	2.9
185.15375	1.2
186.43953	1.1
191.17935	1.6
199.16873	1.2
200.10931	1.7
205.19690	1.4
213.18478	1.3
232.77769	1.1
234.99686	0.9
247.24217	36.4
248.24510	1.3
265.25266	88.2
266.25702	2.8
283.26315	18.1
283.37238	0.9
339.28934	100.0
340.29242	2.9
357.29977	55.3
358.30420	1.4
372.40866	1.0
402.71786	1.1
484.84314	1.2
501.33984	4.1
520.61768	1.3
621.63873	1.0
682.17603	1.2
698.45331	1.5
699.25171	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	698.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98613	0.1
55.05489	0.1
57.03419	0.1
60.41983	0.1
67.05487	0.1
69.03387	0.4
69.07041	0.1
70.06556	0.3
70.40683	0.1
71.53967	0.2
77.41684	0.1
79.05460	0.2
81.03390	0.4
81.07025	0.2
84.08140	0.2
85.02860	0.4
87.22971	0.1
91.05466	0.3
93.07016	0.3
93.44961	0.1
93.88744	0.1
95.04929	0.2
97.02837	0.3
97.69467	0.1
100.11221	0.1
105.07002	0.2
107.04892	0.1
107.08593	0.2
109.02856	0.4
109.06470	0.1
115.48454	0.1
119.04854	0.2
121.10172	0.5
127.03878	0.3
135.04317	0.1
137.05948	0.2
145.04996	0.1
147.04344	0.3
149.09563	0.2
162.05463	0.3
167.10696	0.2
174.81639	0.1
175.03880	0.4
177.05525	0.1
178.04898	0.1
206.04568	0.3
207.06584	0.7
208.06839	0.3
210.05389	0.1
214.08661	0.1
215.10744	0.1
216.06538	0.9
217.07343	0.3
227.05760	0.2
228.06517	0.6
228.14061	0.1
229.07315	0.1
230.04530	0.7
231.05045	0.2
232.09671	0.3
241.03769	0.1
242.08125	0.5
244.06111	0.2
245.06850	2.8
260.09134	0.4
270.07553	0.6
272.05728	0.1
273.06305	28.3
274.06638	0.6
287.07977	0.4
288.08649	100.0
289.09009	2.3
289.11807	0.1
350.22668	0.3
350.73169	0.1
359.23294	2.6
359.73596	0.6
450.13904	1.5
487.72290	0.1
492.15149	1.7
518.13062	0.2
536.13977	27.4
537.14349	0.9
612.19250	0.2
654.20691	0.2
666.26855	0.2
698.19165	2.3
698.30511	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43380	3.2
54.43625	3.0
55.01864	2.8
55.05493	8.8
57.03435	3.4
57.07061	4.7
61.02919	3.0
65.03925	3.8
67.05502	19.2
69.03433	6.3
69.07058	8.2
70.35091	2.7
70.48811	9.2
79.05489	5.6
81.03422	6.8
81.07039	5.9
83.08587	4.0
85.02912	5.7
85.06518	10.3
91.05467	9.0
93.07016	8.1
95.08585	5.7
97.02851	4.1
105.07034	4.6
107.08598	4.8
109.02892	5.0
109.10139	3.9
117.06972	3.7
119.08630	5.8
121.10159	5.1
126.74503	3.2
127.03854	3.6
131.04893	5.9
139.63629	3.2
147.04399	10.1
159.04373	9.2
160.86584	3.1
163.03836	5.1
173.06035	4.6
173.09576	3.9
175.03911	100.0
177.05467	14.2
187.03902	23.4
187.07561	3.5
189.05518	7.8
199.03831	9.0
201.05498	4.2
203.03403	5.2
213.05473	4.6
215.07080	3.2
217.05235	3.2
226.06186	8.3
229.08678	29.8
231.10199	13.4
241.08556	23.3
243.10141	17.8
245.08067	4.3
247.09647	67.0
257.18652	3.6
259.09662	5.1
287.05307	5.6
295.13324	7.1
313.14288	32.4
331.15393	45.4
358.16461	3.4
453.21060	3.8
517.30640	3.3
577.65631	3.4
697.34106	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69027	0.5
51.02385	0.7
53.48780	0.6
55.05512	5.6
55.26409	0.6
57.07060	2.8
58.82913	0.7
59.04986	1.9
65.03934	2.4
67.05184	0.9
67.05510	12.0
69.07079	3.7
70.06594	1.0
70.07166	1.8
71.04986	1.6
73.70282	0.6
79.05492	1.5
81.07060	1.2
83.01337	0.8
85.06083	0.5
85.06545	10.6
89.01022	0.6
91.05490	5.6
93.07053	1.0
95.08616	1.3
97.02911	0.7
103.05444	1.0
105.07006	1.4
107.08604	1.2
109.02852	0.7
109.10137	1.5
111.11720	0.7
115.05457	0.9
117.06979	0.8
118.48750	0.6
119.04936	2.4
121.10155	1.7
128.06194	1.0
129.06949	0.8
131.04938	6.0
131.08577	0.6
133.06488	1.2
133.10130	0.8
141.58221	0.6
145.06444	1.1
147.04416	10.9
155.08516	0.8
157.06529	0.6
157.10185	0.9
159.04419	7.7
161.06029	1.3
163.03905	4.2
171.04417	1.1
171.07991	0.8
173.06003	1.7
175.03915	100.0
176.04265	2.9
177.05478	11.2
185.06015	1.2
185.09666	1.0
187.03915	26.4
187.07538	2.8
189.01836	0.8
189.05476	10.4
191.03410	0.9
197.05942	0.8
198.06702	0.8
199.03934	6.6
199.07576	1.3
201.05489	7.0
203.03380	6.0
203.07004	3.3
203.10661	0.8
211.07475	1.2
212.04713	1.2
213.05489	4.5
213.09067	1.1
215.07007	1.7
217.04979	1.5
217.08606	3.5
226.06248	5.2
227.07036	2.8
228.07800	1.6
229.08603	28.1
230.08858	1.2
231.10176	9.7
239.07059	1.6
241.08604	20.1
241.11078	1.0
242.08917	1.4
243.10205	21.6
244.10481	1.5
245.08182	3.9
247.09671	72.0
248.10031	2.5
253.08591	1.9
255.10133	3.7
257.08212	1.1
259.09677	7.8
269.11841	0.9
271.06485	0.7
271.09622	1.0
287.05539	1.2
295.13284	7.8
313.14365	27.9
314.14731	2.2
331.15430	33.3
332.15677	1.8
349.16479	2.2
368.93021	0.7
379.10056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.8
53.03976	0.8
55.05511	6.5
55.34930	0.7
57.07069	3.8
59.04995	2.2
65.03928	3.3
67.05499	13.8
68.05848	1.1
69.07071	5.2
71.04980	2.5
74.50351	0.8
79.05497	1.8
81.07075	1.2
83.01347	1.2
85.06535	11.2
91.05489	5.3
93.07044	1.5
95.04958	1.2
95.08611	1.3
103.05454	1.2
104.12483	0.8
105.07024	1.8
109.10148	1.6
115.05485	1.1
117.06995	1.1
119.04945	3.2
119.08566	1.0
121.10149	1.7
128.06223	1.5
131.04938	5.0
133.10129	1.1
139.11273	0.9
145.06496	2.0
147.04395	11.3
151.03917	3.8
154.83607	0.8
155.08482	0.9
157.06519	0.8
157.10039	0.8
159.04407	7.8
160.04776	1.0
161.05931	1.5
163.03860	6.0
167.93211	0.8
171.04388	1.0
173.05992	1.7
175.03905	100.0
176.04247	11.0
177.05475	9.4
183.08076	0.8
185.05920	0.8
185.09468	1.0
187.03909	30.4
187.05560	1.8
187.07567	3.1
188.04248	2.8
189.05443	9.4
190.05846	1.3
198.06819	1.5
199.03899	6.9
199.07535	1.7
200.04298	1.8
201.05495	5.4
203.03436	5.0
203.06998	4.0
211.07512	1.3
213.05403	5.8
213.09096	1.1
214.05809	1.1
215.07048	1.2
217.08685	2.1
226.06224	10.1
227.06972	1.9
228.07678	2.3
229.08588	22.9
229.14696	0.9
230.08946	3.5
231.10233	7.1
232.10568	2.0
239.06947	1.2
241.08589	25.4
242.08890	4.1
243.10168	23.1
244.10590	3.6
245.08092	4.0
246.08331	1.1
247.09665	65.8
248.09961	10.3
253.08664	2.7
255.10112	3.8
259.09735	7.5
260.10242	1.1
265.10886	1.3
269.11591	1.0
287.05667	1.6
287.12781	1.0
295.13245	9.3
296.13553	1.9
313.14322	28.8
314.14517	5.8
331.15399	29.6
332.15817	8.8
333.05881	1.0
349.17300	0.8
458.13849	0.9
477.12515	1.0
651.33899	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	697.1606
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.03945	1.5
55.01857	0.8
57.03442	0.4
61.02919	0.6
62.09128	0.2
68.99786	0.9
69.03088	0.3
69.03433	4.1
69.03778	0.1
69.64477	1.5
70.06575	0.8
70.06911	0.2
71.04988	0.7
73.02903	0.8
81.03414	5.4
83.07069	0.2
84.04478	0.2
85.02908	6.8
86.09689	0.2
87.00824	3.0
91.03976	0.2
97.02895	2.9
99.04454	1.6
100.50741	0.2
105.01896	1.6
107.04963	0.3
109.02884	4.2
111.00792	0.6
117.01854	0.4
121.02870	1.8
127.03918	5.7
129.01849	0.6
133.02888	0.4
137.02379	0.4
145.04962	1.6
147.02849	0.3
147.04445	0.5
153.01840	2.0
159.02885	2.4
165.01884	1.2
171.04422	0.2
183.02866	0.7
185.05978	0.3
213.05513	1.1
231.04994	0.9
241.04773	0.5
258.05252	0.6
259.06094	0.4
287.05496	100.0
288.05841	2.0
329.06473	0.8
344.04459	0.2
449.10834	9.7
498.50095	0.2
630.65869	0.2
697.30560	0.3
711.49249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93996	0.1
53.03939	0.7
55.01426	0.1
55.01850	0.5
57.03419	0.5
61.02923	0.9
65.03937	0.1
67.05479	0.1
68.99795	0.4
69.03425	3.2
69.07053	0.3
69.42664	0.5
69.43098	0.6
70.06596	1.2
71.04974	0.5
72.08128	0.2
73.02895	0.4
74.06059	0.3
78.10918	0.1
79.05492	0.3
81.03416	2.3
81.07037	0.2
83.04950	0.2
84.04507	0.2
84.08135	0.5
85.02901	4.6
86.09689	0.3
87.00838	0.7
87.04457	0.3
91.03947	0.1
91.05521	0.3
95.04948	0.2
97.02891	4.9
99.04447	1.1
105.01853	0.5
105.03392	0.4
107.04951	0.4
109.02882	1.9
111.00766	0.7
115.03942	0.2
116.07025	0.1
119.04909	0.3
120.08095	0.3
121.02865	2.7
121.10135	0.2
127.03911	2.4
129.10257	0.3
133.02846	0.5
135.04378	0.2
136.07524	0.3
137.02341	1.2
137.05957	0.2
145.04955	2.0
145.06291	0.2
147.04379	1.0
151.03946	0.2
153.01836	2.8
157.06493	0.3
159.02898	0.4
161.05963	0.3
165.01816	1.4
171.04460	0.2
175.03918	0.4
177.05470	0.4
183.02866	0.7
185.05890	0.4
189.05437	0.2
207.06520	0.8
213.05502	1.0
213.08900	0.2
231.06534	0.5
237.16406	0.2
241.04868	0.7
251.08914	0.1
258.05356	0.8
259.06082	0.4
269.04340	0.2
271.05966	0.1
273.66547	0.2
274.65421	0.1
287.05487	100.0
288.05804	1.5
300.35822	0.1
319.13010	0.2
329.06720	0.2
375.11627	0.3
389.12320	0.5
449.10800	3.9
510.17181	0.1
535.03149	0.3
535.10828	4.0
679.22919	0.2
697.30725	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	696.416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08158	1.1
55.01864	2.0
55.05267	1.8
55.05509	17.6
57.03435	5.8
57.07074	9.1
59.05011	1.4
61.02927	25.5
65.03925	1.6
66.26022	1.1
67.05504	64.9
69.03416	2.8
69.07066	26.9
71.04974	1.8
71.08636	5.3
71.53514	2.1
73.02921	8.9
75.04473	1.3
79.05493	16.3
81.03424	1.4
81.07056	76.7
83.04973	2.2
83.08617	20.3
85.02906	29.8
85.06531	4.8
85.10175	3.3
91.03955	23.9
91.05476	14.5
93.07038	19.9
95.04954	2.1
95.08607	69.0
97.02894	13.2
97.06518	5.1
97.10160	13.7
99.04453	1.7
99.08096	3.9
101.28909	1.1
105.07040	8.5
105.29800	1.0
107.08590	13.3
108.61223	1.1
109.02822	1.7
109.10150	35.2
111.08082	3.6
111.11706	4.1
113.02338	1.3
113.09628	2.5
117.32319	1.0
119.08572	11.5
121.10135	23.4
123.11690	18.8
123.25827	1.1
125.09603	1.3
125.13272	1.8
127.03925	9.5
133.10106	13.5
135.11662	11.3
137.09590	2.6
137.13257	7.9
141.12741	3.1
145.04950	13.2
147.04437	2.3
147.11685	9.2
149.13263	10.1
151.11223	2.2
151.14778	7.1
155.14311	4.0
157.12271	1.3
159.04419	1.3
161.13249	14.0
163.03902	2.6
163.06018	17.6
163.14844	9.8
165.16394	11.3
167.14272	1.3
167.91936	1.0
174.00653	1.1
175.03886	16.6
175.14816	10.4
176.55431	1.0
177.05424	1.7
177.16322	1.5
179.14406	2.5
179.17944	8.2
187.03880	5.4
189.16428	5.3
193.15927	2.0
199.03825	2.1
203.18011	1.4
206.39215	1.2
217.19450	2.6
227.07091	1.6
229.08517	4.7
231.02898	2.4
231.10033	1.2
233.04292	2.1
237.49379	1.2
241.08627	6.2
243.10135	4.6
243.39229	1.3
245.22649	65.0
247.09622	8.9
253.08521	1.0
255.10173	1.3
259.09753	2.1
263.23700	100.0
264.23972	1.3
265.25259	2.2
281.24765	3.4
295.13263	2.7
313.14365	6.7
331.15445	4.6
337.27362	73.8
338.27548	2.5
355.28378	15.2
397.16342	2.5
499.32736	5.5
548.24084	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	696.339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01874	1.2
55.05518	9.5
56.05865	1.0
56.96572	4.8
57.03436	6.0
57.07071	4.2
61.02930	17.6
62.03262	1.4
65.03938	2.4
67.05505	42.3
68.05843	6.1
69.03423	4.0
69.07071	8.3
70.01363	2.5
70.01760	1.3
70.07388	1.3
71.05011	1.5
73.02919	9.3
79.05492	21.2
80.05834	4.4
81.03403	1.8
81.07057	37.1
82.07394	9.0
83.04974	1.1
83.08614	4.0
85.02903	15.5
85.06535	2.7
86.03249	2.9
91.03966	13.1
91.05482	12.8
92.04298	0.9
92.05821	2.3
93.04377	0.9
93.06480	1.5
93.07047	23.2
94.07373	7.0
95.04965	2.0
95.08608	28.6
96.08932	8.0
97.02898	12.2
97.06553	1.6
97.09297	1.6
97.10177	1.5
98.03208	0.7
98.97584	7.2
100.99172	1.4
105.02103	0.9
105.07030	7.6
106.07359	2.3
107.08594	16.8
108.08943	5.3
109.02293	1.3
109.06499	1.1
109.10147	15.4
110.10512	3.5
110.97555	1.1
111.02020	1.7
111.08107	1.1
112.99136	2.1
113.09624	0.9
116.98616	3.9
117.07013	3.9
118.02827	1.8
118.07368	1.2
119.01823	2.3
119.08592	7.3
120.08881	2.4
121.10139	13.2
122.10478	5.1
123.10907	1.3
123.11710	6.8
124.12019	2.0
127.03905	3.9
128.98589	2.1
131.00165	8.5
131.08586	7.8
132.02548	0.8
132.08932	2.5
133.10164	6.7
134.10477	1.1
135.11705	9.8
136.12041	3.7
137.13280	2.8
138.13583	1.3
143.00175	1.0
145.04973	4.8
145.10143	4.9
146.05376	1.2
146.10460	1.8
146.99689	1.1
147.03104	3.9
147.04359	2.1
147.11740	3.9
148.12010	1.3
149.01228	16.9
149.13280	5.9
149.46909	0.8
150.13588	3.2
156.03613	24.2
156.53796	1.4
158.99632	5.0
159.04469	2.0
159.11655	4.0
160.12045	3.3
161.13275	3.2
162.13594	1.9
163.03909	1.9
163.06006	7.6
163.14853	4.4
164.06386	2.5
164.15196	3.0
167.02293	5.8
167.54443	6.8
170.99651	1.1
172.02821	1.7
173.01172	0.9
173.13264	3.0
174.13669	1.4
175.03917	20.5
177.00699	5.1
177.05495	2.2
177.12761	0.9
177.16435	1.4
178.16652	1.5
179.14308	0.8
182.03304	1.4
187.03906	5.8
187.14832	2.6
188.15213	1.7
189.00682	1.0
189.05493	1.9
190.03925	1.0
191.02339	2.7
191.03741	1.5
201.05457	1.3
201.16292	1.1
203.02173	1.2
209.03334	1.5
210.01118	0.8
213.05453	1.0
216.18518	0.8
219.01768	1.8
219.05235	1.2
226.06203	2.2
228.05768	5.4
229.08617	6.4
231.10263	2.4
241.08644	4.8
243.10190	4.1
243.21095	7.9
244.21478	6.2
245.21782	3.1
247.09663	12.9
259.09711	1.5
261.22141	20.0
262.22519	18.5
263.22791	10.9
277.13788	7.5
277.64038	1.7
279.03903	1.5
293.05453	3.5
295.13223	2.0
311.06409	2.8
313.14294	7.0
317.17947	5.9
321.04681	1.7
331.15433	8.7
335.25812	7.1
336.26157	5.0
337.26495	5.9
349.16153	1.2
353.26941	5.9
354.27127	7.7
355.27521	6.9
358.16418	100.0
358.66583	26.8
359.16476	1.4
367.16754	1.1
378.67902	1.3
445.16000	0.9
499.31570	1.2
534.29266	4.4
534.79706	2.3
615.32404	9.7
615.82251	4.8
696.34509	5.3
696.84589	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	696.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83058	0.6
55.05514	5.2
57.07069	3.0
59.05001	1.6
65.03938	1.9
67.05506	14.2
69.07062	4.3
69.62543	3.6
71.04997	1.5
74.69482	0.6
78.63228	0.6
79.05487	1.3
81.07041	0.7
81.54552	0.6
83.04991	0.6
85.06547	10.6
85.64388	0.7
87.98052	0.6
91.05492	3.6
93.07059	0.7
98.21581	1.1
105.07040	1.0
107.08611	0.8
109.10195	1.4
109.10917	0.7
111.03925	0.6
112.02116	0.6
115.05417	0.8
119.04951	1.7
121.10143	1.4
129.06979	0.8
131.04903	4.2
133.06508	1.0
143.04927	1.0
147.04417	8.7
155.08510	1.0
157.10121	0.8
159.04433	7.1
161.06000	1.0
163.03911	5.2
171.04434	1.0
173.05995	1.8
175.03911	100.0
176.04193	1.5
177.05466	7.6
177.09128	0.7
185.09630	0.9
187.03911	28.8
187.07509	2.8
189.05458	7.8
195.08017	0.8
198.06833	0.9
198.56248	0.7
199.03903	7.2
199.07585	2.0
201.05431	4.8
201.09097	1.4
203.03401	5.3
203.07001	3.7
203.10654	1.2
211.07530	1.7
212.04715	1.2
213.05560	4.2
213.09142	1.7
215.07036	3.0
217.05046	1.3
217.08594	2.1
223.07608	1.0
225.08961	0.7
226.06232	7.8
227.07011	2.6
228.07899	2.1
229.08606	27.5
231.10172	9.7
239.07060	1.3
241.08597	26.5
243.10179	22.1
245.08194	3.5
246.93445	0.7
247.09671	61.8
248.09920	0.9
253.08589	3.1
255.10185	3.7
259.09726	5.7
265.10822	1.3
295.13333	8.2
313.14325	30.9
314.14536	0.9
331.15396	41.8
349.16623	1.3
625.31390	0.8
660.31854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.5
56.96558	0.7
57.07061	2.4
58.98547	0.5
59.04984	1.2
65.03936	2.8
65.33075	0.6
67.05191	1.0
67.05508	12.0
68.10039	0.5
69.07077	5.2
71.04974	2.2
79.05480	1.4
81.03420	0.6
81.07052	1.6
83.08619	0.7
85.06544	8.8
88.17661	0.5
91.05465	3.8
93.07024	1.2
95.08618	0.8
103.05436	0.9
105.07020	1.4
107.08574	0.6
109.10150	1.1
111.11751	0.9
115.05439	0.8
117.07023	0.7
119.04940	2.4
121.10107	1.2
129.06995	1.1
131.04919	4.9
133.10139	0.7
139.11279	0.9
145.06483	0.8
147.04410	9.8
159.04399	8.6
159.07985	0.7
161.05998	1.4
163.03920	4.1
165.07021	0.7
167.08537	0.6
171.04419	1.3
173.05940	2.4
175.03906	100.0
176.04361	1.8
177.05479	10.6
185.05971	1.0
185.09636	0.8
187.03902	29.4
187.07510	3.1
189.05444	9.8
195.08170	0.7
198.06828	0.6
199.03889	7.7
199.07544	1.5
201.05466	6.1
201.09134	0.9
203.03416	6.0
203.05066	0.8
203.06981	3.9
203.10669	0.6
206.71768	0.5
211.07549	1.1
212.04976	0.8
213.05447	4.6
213.09196	1.6
215.07106	2.8
216.06743	0.7
217.05006	1.1
217.08658	3.6
223.07587	1.0
226.06265	6.8
227.06970	2.8
228.07794	2.4
229.08589	27.3
231.02954	0.9
231.06575	0.7
231.10164	8.0
239.07048	1.2
241.08588	25.2
243.10179	20.5
244.90955	0.6
245.08173	4.8
247.09660	69.3
248.09978	1.6
253.08630	2.3
255.10130	4.3
257.08130	1.6
259.09647	7.7
265.10632	1.5
267.09952	0.6
269.11755	0.9
271.09671	1.1
283.13269	0.6
290.06479	0.7
295.13245	10.6
313.14331	31.0
314.14642	1.4
331.15384	33.7
332.15826	0.9
349.16556	0.9
433.25153	0.6
518.94623	0.6
594.03705	0.7
625.32330	0.6
697.37311	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	696.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.01882	0.9
55.05515	4.7
57.07066	2.4
59.05000	5.9
65.00210	0.7
65.03928	1.9
67.05508	10.6
69.07069	7.5
70.06577	0.9
71.04983	2.1
71.45023	0.7
71.53003	0.8
71.53362	1.0
77.74660	0.8
79.05490	2.5
81.07062	2.3
83.08625	1.0
85.02921	0.9
85.06544	9.9
89.09451	0.7
91.05463	4.0
91.91501	0.7
93.07053	1.4
93.59712	0.8
95.04983	1.0
95.08601	2.2
103.05458	1.3
105.07055	1.4
107.08602	0.9
109.10107	1.6
111.11694	1.2
115.05468	1.1
118.98898	0.8
119.04939	3.1
119.08614	1.2
121.10124	2.5
123.08012	0.8
127.92295	1.0
129.06963	1.7
129.14320	0.8
131.04909	6.2
131.08606	1.1
133.10042	0.8
137.98740	0.8
139.11206	1.2
141.06969	1.4
142.27777	0.7
143.08582	1.1
147.04428	9.8
150.14716	0.9
155.08566	1.4
157.10168	1.2
159.04420	10.5
163.03925	6.4
163.10982	0.9
165.07022	1.3
171.04407	1.1
171.07986	0.7
173.06003	3.1
175.03909	100.0
176.04340	2.6
177.05501	6.7
185.06026	2.3
185.09630	1.4
187.03902	38.1
187.07515	2.5
188.04156	1.3
189.01793	2.1
189.05463	7.8
191.03401	1.8
195.08151	0.9
199.03900	10.2
199.07571	3.1
200.04610	0.8
201.05452	8.9
201.09070	1.2
203.03384	5.3
203.06960	3.5
203.10751	1.0
208.48772	0.7
211.07423	2.0
212.04700	1.9
213.05457	8.4
213.09135	2.3
214.06078	1.0
215.07027	5.4
217.05019	1.9
217.08595	2.9
223.07544	1.6
226.06226	7.2
227.06984	4.9
228.07779	3.0
229.08598	30.1
231.10173	6.3
239.06995	1.7
241.08589	32.0
243.10164	27.5
244.10687	0.9
245.05797	1.5
245.08122	15.5
247.09668	46.6
253.08600	3.6
255.10094	5.7
257.08057	2.5
259.09634	7.5
265.10358	0.7
269.11700	1.3
271.09531	0.9
275.09146	10.2
295.13226	11.4
313.14334	46.4
314.14340	1.3
331.15390	68.3
332.15747	1.6
349.16489	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	696.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
51.78819	0.3
55.04441	0.3
55.05512	4.0
57.07078	3.2
57.60895	0.3
59.04985	0.7
65.03941	2.5
67.05507	15.6
69.07066	3.1
69.41293	1.8
70.06618	0.4
71.04993	1.5
79.05473	0.6
81.07055	0.7
83.04990	0.3
83.08616	0.4
84.08112	0.4
84.16042	0.3
85.02878	0.3
85.06545	12.0
86.64699	0.3
91.05478	2.7
93.07029	0.7
95.04934	0.5
95.08582	0.7
97.06440	0.3
103.05462	0.5
105.07034	0.6
107.04931	0.5
107.08591	0.3
109.10138	1.2
111.51661	0.3
115.05427	0.5
116.91026	0.3
119.04984	1.5
119.08657	0.3
121.10140	1.2
123.08058	0.3
123.11687	0.3
128.06178	0.4
129.07018	0.7
131.04930	3.3
133.06563	0.4
133.10075	0.4
139.11122	0.4
142.07751	0.4
143.04961	0.4
145.06485	0.6
147.04410	7.4
155.08533	0.6
157.06479	0.3
157.10138	0.3
159.04428	6.6
159.08060	0.4
161.05977	0.7
163.03893	4.4
167.08636	0.6
171.04407	0.9
171.07918	0.3
173.05994	2.1
175.03909	100.0
176.04300	2.1
177.05473	8.7
185.05945	0.7
185.09647	0.7
187.03908	25.1
187.07489	2.3
188.04163	0.6
189.05476	8.5
191.03410	0.5
195.08044	0.5
197.09592	0.3
198.06767	0.6
199.03925	5.7
199.07556	1.0
199.11105	0.4
201.05470	5.2
201.09062	0.8
203.03403	4.5
203.07051	2.8
203.10696	0.9
205.05066	0.5
211.07550	0.8
212.04718	0.5
213.05481	2.8
213.09187	1.5
215.07103	1.5
216.06622	0.5
217.05025	1.1
217.08618	1.2
222.65654	0.3
223.07513	0.9
225.09070	0.4
226.06258	6.3
227.06992	2.2
228.07826	2.1
229.08601	30.3
230.08917	0.5
231.10167	8.4
232.10434	0.5
239.07076	0.6
241.08595	19.9
242.08945	0.8
243.10172	24.1
244.10446	0.6
244.26427	0.6
245.08127	1.2
247.09662	76.9
248.10014	1.3
253.08580	2.1
255.10147	3.9
259.09677	4.4
261.11304	0.6
265.10748	1.0
271.09573	0.9
295.13293	9.2
313.14343	26.6
314.14612	0.7
331.15408	61.2
332.15668	1.7
349.16431	2.9
449.45816	0.3
540.94855	0.3
611.49878	0.4
728.38208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.5
57.07062	2.2
61.47505	0.8
65.03929	2.5
67.05504	13.9
69.07074	4.9
69.27341	8.7
69.27723	2.2
71.04997	1.9
76.91476	0.8
81.07074	1.2
83.01327	1.1
85.06534	9.7
86.09827	0.9
91.05479	3.9
95.08592	1.0
109.10106	1.1
113.02367	2.3
115.05479	1.0
119.04935	2.3
121.10102	1.3
131.04926	5.2
133.06483	1.4
147.04393	8.4
155.08519	1.1
159.04430	7.5
161.06007	1.5
163.03902	6.2
169.15198	0.9
173.06030	2.6
175.03908	100.0
176.04346	1.6
177.05461	8.4
187.03897	29.7
187.07480	1.7
189.05467	8.8
189.09166	1.4
191.03329	0.9
195.08139	1.2
198.06818	1.1
199.03868	6.3
199.07458	1.3
201.05444	4.3
201.09181	1.0
203.03383	5.9
203.07007	3.4
203.10477	1.2
207.02827	1.2
211.07474	1.1
213.05424	4.4
213.09090	1.9
215.07072	2.5
217.05054	1.7
217.08653	2.3
223.07381	1.4
226.06248	9.0
227.07021	2.7
228.07779	2.6
229.08604	30.3
231.10158	7.3
233.04482	1.2
241.08583	25.1
243.10159	26.6
245.08133	1.3
247.09662	77.4
248.09924	2.2
253.08601	2.6
255.10272	5.9
255.13611	1.0
257.08038	2.2
259.09674	9.4
265.10794	1.1
271.09644	2.0
295.13315	12.5
313.14316	35.4
314.14456	1.6
327.15979	1.5
328.49472	1.0
331.15408	46.2
332.15826	1.5
397.16364	4.1
415.11655	1.2
468.66776	1.0
472.99573	1.1
530.22748	3.5
548.23877	3.7
700.64508	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55510	0.1
53.03943	0.6
55.01865	0.5
57.03452	0.6
57.07076	5.2
61.02941	0.7
65.03942	0.3
67.05515	0.2
68.99471	0.1
68.99806	0.4
69.03429	3.5
69.07043	0.3
70.06601	0.6
71.04992	0.8
71.33533	0.2
72.08143	0.1
73.02896	0.3
79.05486	0.3
81.02929	0.2
81.03417	3.3
81.07056	0.6
82.06571	0.2
83.04974	0.2
84.08122	0.2
85.02907	5.7
85.06551	1.4
86.09703	0.3
87.04468	0.3
87.54116	0.1
91.03938	0.2
91.05465	0.5
93.07047	0.3
95.04979	0.2
95.08595	0.3
96.08138	0.2
97.02294	0.2
97.02893	3.5
99.04463	0.8
103.03916	0.2
103.05466	0.2
103.07583	0.3
105.03375	0.6
105.07014	0.4
106.06475	0.1
107.04945	0.5
107.08600	0.2
108.08097	0.3
109.02884	2.4
110.09666	0.4
111.00791	0.5
111.04438	0.2
115.05499	0.1
119.04955	0.3
119.08579	0.2
120.08103	0.5
121.02004	0.3
121.02872	4.2
121.06483	0.2
121.10178	0.3
127.03918	4.2
128.07074	0.5
129.07021	0.1
131.08623	0.2
133.02861	1.5
133.10146	0.2
135.04370	0.4
136.07581	0.3
137.02361	0.8
137.06006	0.2
137.54698	0.2
138.09108	0.6
145.04948	1.7
145.06459	0.3
145.10081	0.1
147.04388	1.0
148.07570	0.4
149.06125	0.1
151.03897	0.5
153.01828	2.9
157.06554	0.6
159.08023	0.2
161.05952	0.3
161.09550	0.2
162.05518	0.2
165.01834	1.2
166.08633	1.2
167.07091	0.1
171.02888	0.2
171.04343	0.2
171.08086	0.3
172.03908	0.2
173.05914	0.2
173.09612	0.3
175.03891	0.3
175.07555	0.2
176.07048	0.1
177.05447	0.3
178.05029	0.3
181.04926	0.2
183.02855	0.6
185.05913	0.3
185.09589	0.2
186.09119	0.1
187.07562	0.1
189.05498	0.3
197.06062	0.2
197.07835	0.1
197.09641	0.2
199.07568	0.2
203.06993	0.2
207.06537	0.3
213.05466	1.2
229.10724	3.4
231.06523	0.6
241.04945	0.9
243.06458	0.2
245.04399	0.2
247.11861	0.8
253.09332	0.1
255.11089	0.2
255.13805	2.4
258.05243	1.1
259.05917	0.4
265.09967	0.1
269.04391	0.2
271.05951	0.2
273.14893	0.2
286.04764	1.7
287.05496	100.0
288.05859	2.1
295.10605	0.2
297.07623	0.1
299.05560	0.2
301.07062	4.2
302.07510	0.2
309.24423	0.2
315.13309	0.3
317.06589	0.4
327.08667	0.2
329.06531	0.3
350.14349	0.1
353.11084	0.1
371.11404	0.2
401.13333	0.2
417.19000	0.2
506.18735	0.4
533.16522	0.6
538.21051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79077	0.1
53.03933	0.6
54.10847	0.2
55.01874	0.4
55.05504	0.4
57.03416	0.8
57.07076	5.2
60.04535	0.2
61.02926	0.9
64.05447	0.2
65.03933	0.2
66.04999	0.2
67.05503	0.3
68.89549	0.2
68.99796	0.4
69.03088	0.2
69.03430	3.3
69.07069	0.5
70.06584	0.9
70.65166	0.5
71.01343	0.2
71.04986	0.7
72.08150	0.2
73.02923	0.4
79.05485	0.8
81.03416	4.1
81.07040	0.5
82.06593	0.5
83.04976	0.3
84.08141	0.3
85.02904	6.6
85.06550	1.4
85.07670	0.3
86.09711	0.4
87.04463	0.2
87.53532	0.2
91.03947	0.2
91.05452	0.6
93.07032	0.8
95.04977	0.4
95.08610	0.3
96.08154	0.2
97.02888	4.0
97.06528	0.2
99.04456	0.9
103.05510	0.2
105.03398	0.5
105.07018	0.5
107.04951	0.6
107.08582	0.6
108.08121	0.2
109.02885	2.8
109.10151	0.6
110.09674	0.4
111.00787	0.7
117.07077	0.2
119.04906	0.3
119.08534	0.3
120.08101	0.4
121.02858	3.6
121.06493	0.3
121.10110	0.2
123.08029	0.3
127.03918	4.8
128.07063	0.9
129.07095	0.2
131.04871	0.2
131.08585	0.3
133.02853	1.6
133.06390	0.2
133.10130	0.4
135.04430	0.5
136.07564	0.3
137.02364	0.9
137.05911	0.2
138.09143	0.6
143.08549	0.3
145.04939	1.9
145.06482	0.4
145.10167	0.2
147.04433	1.3
148.07564	0.3
149.05981	0.2
149.09613	0.2
151.03909	0.5
153.01836	3.1
157.06468	0.5
159.08023	0.2
161.05951	0.2
162.05492	0.3
163.05917	0.2
165.01819	1.4
166.08644	1.2
171.04427	0.3
171.08029	0.4
173.05974	0.3
175.03903	0.6
177.05444	0.5
178.04982	0.4
181.06306	0.2
183.02904	0.8
185.06007	0.5
187.07579	0.2
190.05096	0.2
199.07530	0.3
201.05479	0.2
203.03270	0.2
203.07155	0.2
206.04579	0.4
207.06523	0.7
213.05446	1.0
217.08585	0.2
227.14273	0.2
229.10706	3.6
231.06522	0.7
241.04971	1.0
245.04506	0.3
247.11748	0.8
250.10454	0.2
255.11386	0.2
255.13814	3.0
258.05231	1.3
259.06055	0.3
267.10834	0.2
271.05997	0.5
286.04724	1.2
287.05490	100.0
288.05832	2.4
297.07678	0.3
299.05447	0.3
301.07065	4.0
317.06464	0.4
327.08621	0.3
329.06467	0.3
363.08569	0.3
371.11298	0.2
399.17999	0.3
417.18835	0.4
449.11218	0.2
506.18753	0.4
533.16443	0.8
538.21399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	3.8
61.02918	2.5
65.03953	2.3
67.05471	3.6
68.99797	2.5
69.03413	4.8
70.06597	12.5
70.46796	4.9
73.02897	2.3
76.19604	2.0
77.93620	1.8
79.05473	2.5
81.03411	8.3
84.08136	4.3
85.02898	33.1
86.09711	2.6
87.00801	3.0
91.05487	4.3
93.03372	2.9
93.07060	3.7
95.04959	4.9
95.08603	2.1
96.08109	4.1
97.02879	5.1
103.03917	2.0
103.05462	2.2
105.03417	2.8
105.07032	3.9
107.04940	4.1
108.08102	3.0
109.02859	7.1
109.06483	2.4
111.04427	2.4
119.04942	3.7
120.08096	4.2
121.02846	4.7
121.06561	2.1
123.70511	2.4
125.06010	3.4
127.03960	3.9
133.02863	2.2
133.06494	23.3
134.00165	2.3
134.10468	2.2
135.03401	4.0
135.04413	70.1
136.07587	5.8
138.05510	2.5
138.09126	3.8
147.03256	2.0
147.04405	5.6
151.03885	3.8
152.07051	7.6
159.04395	8.4
161.05959	2.7
165.66217	1.9
166.08640	4.9
167.06981	2.4
171.04398	3.3
171.58943	1.8
172.03969	4.9
173.02374	3.0
173.06006	2.6
175.03889	3.3
175.11064	2.0
176.01082	2.0
177.05408	5.7
179.03424	3.2
181.04987	4.0
187.03822	2.8
189.01891	12.3
190.02673	2.2
191.03368	8.4
194.08122	3.6
195.02847	5.1
197.13370	2.3
201.01823	4.3
201.05487	5.1
203.03383	9.4
204.04829	2.3
204.06496	13.2
205.04890	2.8
207.02989	11.5
207.06493	5.5
211.07590	2.5
212.09245	4.6
215.03398	4.3
217.01285	2.1
217.04974	5.2
219.02902	10.9
219.06427	4.5
221.04475	5.3
225.03859	2.1
227.03392	4.5
229.04892	10.4
233.04475	5.9
239.03372	3.4
247.06041	4.4
255.02876	3.8
255.06593	3.4
257.04401	12.4
259.10800	4.2
260.11102	2.3
267.02823	2.9
269.07999	2.8
271.06021	9.1
273.03787	5.0
281.08255	5.9
282.08878	5.6
285.04022	3.2
293.08163	5.7
294.08768	4.2
295.09732	7.8
297.07614	12.6
298.08197	4.1
303.05209	3.0
304.07187	2.2
305.07977	4.0
307.09583	7.4
308.06799	36.1
308.10229	3.9
309.07559	52.6
309.11084	3.3
310.08295	7.0
311.09155	11.1
312.09793	2.5
313.11737	2.4
318.08792	3.4
319.09567	4.1
320.13196	2.7
321.07581	72.5
322.08331	27.5
323.05536	4.1
323.09042	23.9
325.11636	2.7
327.08752	6.2
331.09439	3.6
333.07498	6.2
333.11163	3.6
334.08368	4.2
335.09152	36.6
336.06149	4.6
336.09781	21.7
337.10791	9.2
339.08627	73.8
341.11163	3.1
343.09683	3.7
345.11148	2.3
347.09109	13.3
349.07001	3.0
349.10696	21.8
350.07849	3.6
351.08627	96.8
351.12338	3.9
352.08932	3.3
353.10178	3.5
357.14459	6.2
359.09018	8.3
359.12921	3.0
360.09888	5.3
361.10614	27.6
363.08582	30.3
363.12567	3.3
364.09189	5.2
365.05981	2.2
365.10223	38.0
369.09720	36.7
371.08771	3.9
371.12979	3.0
373.10693	3.1
375.08444	16.6
377.10141	9.3
379.07544	4.5
379.11774	39.0
381.09567	9.1
387.08533	11.1
388.09451	4.0
389.10156	39.2
391.07718	3.0
392.08972	2.8
393.09659	82.2
394.09671	2.3
399.08545	9.6
401.10019	4.0
403.11890	9.4
405.09647	31.8
407.11182	4.8
413.10269	4.0
415.11819	2.8
417.09674	46.0
419.11441	4.7
423.10678	11.8
429.09698	4.7
431.11255	5.6
435.05182	4.3
435.10748	57.2
441.11740	4.6
445.13043	3.8
447.10876	5.1
453.12079	16.1
459.10788	13.5
471.12833	43.8
477.11703	8.4
483.10867	4.5
489.13971	25.9
495.12842	49.5
501.11823	5.8
506.18863	7.0
513.13983	32.9
519.12787	11.2
521.10706	7.5
522.22363	4.1
524.20398	10.9
537.13885	45.7
539.11829	77.1
555.14722	7.8
557.12903	100.0
558.13135	3.1
563.12109	3.7
575.12921	2.9
579.14807	2.3
597.15735	6.1
613.22223	3.0
623.13629	9.1
641.14960	44.7
642.14545	3.7
659.16345	15.5
677.17029	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	695.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66944	2.5
55.01846	2.1
55.05518	2.6
55.31178	1.9
57.03424	3.2
61.02916	2.9
65.03914	2.8
67.05499	5.5
68.99784	3.4
69.03416	3.8
69.07066	2.3
70.06595	12.0
70.88902	3.3
70.89226	2.6
72.08140	2.8
77.03917	2.1
79.05489	4.2
81.03410	4.8
83.08614	2.5
84.08141	3.8
85.02898	20.1
86.09695	2.7
87.00806	4.3
91.05489	2.8
93.07032	3.6
95.04961	4.2
97.02855	5.6
97.06524	2.2
97.75797	2.1
100.11277	2.3
103.03944	4.0
105.03384	2.0
105.19992	1.8
107.04935	3.8
108.08115	31.4
109.02888	5.6
112.07569	2.7
119.04921	4.3
120.08125	2.6
121.02855	3.0
121.06502	4.9
124.07586	2.3
125.06010	2.4
127.03928	3.4
128.07057	10.0
129.10263	2.6
133.06461	18.1
135.03413	2.7
135.04419	49.3
136.07578	41.1
138.05461	3.9
138.09146	4.8
140.07069	2.7
145.02835	2.9
146.06007	3.0
147.04379	5.0
151.03996	3.0
152.07072	10.4
153.01854	2.5
158.11043	2.3
159.00339	1.8
159.04387	7.9
162.05469	2.3
164.07059	6.5
166.08601	6.3
167.06990	2.4
168.06505	2.5
172.03856	6.1
175.03914	4.4
177.01819	3.0
177.05386	5.6
179.03427	4.1
181.04999	2.7
182.15451	2.3
189.01779	8.6
189.09122	4.2
191.03317	4.3
194.08115	4.8
195.02863	7.0
201.05551	4.8
203.03366	10.6
204.06526	10.7
205.04860	2.1
207.02869	9.8
207.06409	4.0
212.09309	8.0
215.03490	3.9
217.04930	5.5
218.08157	2.4
219.02823	11.0
221.04300	3.7
225.10204	2.6
229.04921	5.1
231.10074	10.5
232.10551	5.7
239.11734	3.5
253.09775	5.5
255.02846	5.5
259.10715	2.6
261.04193	2.3
267.11182	5.3
281.08054	3.9
282.09015	3.0
285.12259	2.4
287.05542	4.2
293.08099	6.1
294.08749	4.5
295.09503	5.7
297.07590	12.5
297.12366	4.7
299.10318	2.3
303.05161	4.6
306.08505	3.6
307.09628	2.6
308.06744	28.4
309.07547	67.2
309.11121	4.7
310.08289	6.7
311.09039	11.8
313.11819	21.0
321.07571	58.6
321.13538	2.6
322.08307	16.6
323.09155	20.7
325.11874	2.3
327.08701	4.9
331.09573	2.9
333.07370	5.9
334.08304	5.4
334.71930	2.2
335.09116	28.3
336.06293	3.1
336.09705	9.7
337.06967	3.4
337.10706	6.5
339.08612	100.0
341.11304	17.2
347.08984	6.9
348.09900	2.2
349.06943	4.7
349.10742	18.5
350.07761	4.2
351.08652	84.8
353.10123	2.5
355.13089	2.8
357.14539	3.5
359.08878	4.2
361.10684	13.1
363.08588	33.5
364.09027	4.6
365.10184	29.4
369.09692	34.7
373.14056	23.1
375.08484	10.4
377.10159	9.3
379.11679	12.9
381.09772	3.7
385.10464	2.6
387.08591	6.2
389.10156	15.8
393.09702	66.1
393.14777	2.8
399.08438	3.4
403.11807	4.3
405.09650	35.0
407.11102	4.4
415.11917	3.0
417.09692	29.7
423.10721	39.6
431.11252	3.4
435.10690	29.1
441.11441	3.9
452.18008	3.3
453.11749	30.5
459.10840	6.2
465.12027	3.5
471.12845	78.6
477.11984	4.6
480.17596	5.6
482.19058	6.3
483.12222	3.8
489.13669	3.0
495.12781	7.6
495.19244	2.5
501.12152	2.6
509.10721	8.0
513.14075	4.5
514.21735	4.5
519.12854	5.0
527.11823	35.3
537.14111	11.8
539.11743	4.4
543.12915	2.6
545.13165	4.7
555.14325	2.2
557.13025	22.4
561.13245	3.9
563.11377	3.1
575.14050	15.7
579.14606	5.6
581.13019	17.6
593.13129	2.3
597.15637	2.7
599.13934	20.5
599.23358	3.9
601.26428	4.6
605.12341	5.7
611.14136	14.5
613.22229	3.1
617.26086	10.7
623.13824	16.1
627.23865	5.9
629.14734	9.4
641.15228	16.9
645.25562	20.1
659.15613	21.7
659.26770	6.6
677.16705	6.1
677.27802	13.8
695.50012	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	695.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19923	1.7
53.03949	1.7
54.13010	1.3
56.57186	1.5
56.96565	59.5
56.96850	2.8
71.95284	2.5
74.97603	4.6
84.96030	26.9
85.02902	2.5
95.04967	2.1
98.97582	100.0
101.46816	1.5
102.97068	5.5
105.03387	34.6
106.03725	2.4
110.97554	18.7
112.99136	3.2
115.00686	2.6
116.98620	68.1
116.99462	3.6
119.01910	2.9
120.60268	1.5
124.99157	3.3
127.00671	1.6
127.03944	1.8
128.98604	31.9
131.00182	7.4
133.01768	1.8
133.03445	1.7
134.99648	26.0
140.00226	3.4
140.98596	5.2
143.00162	17.7
144.98018	1.7
146.99637	27.6
147.04417	5.9
149.01239	8.1
150.99071	2.3
152.98610	2.5
153.00752	2.0
153.27647	1.5
155.01950	1.9
156.98114	2.5
158.99651	45.9
159.00882	3.2
160.99150	1.8
161.01228	32.0
161.02715	2.4
162.99168	2.3
165.00722	5.6
167.02205	1.8
170.01250	1.7
170.99657	23.7
171.05017	5.4
173.01251	5.0
173.02841	2.7
173.04828	2.7
174.99185	5.6
175.02751	1.6
177.00729	46.0
177.05649	2.0
178.98827	1.6
179.00044	8.0
179.02280	5.8
182.99663	10.6
184.00517	1.5
184.05205	1.7
185.01228	4.0
185.02843	1.8
186.99146	2.8
189.00706	39.4
189.06044	2.9
191.02274	3.9
193.00224	5.5
195.01744	7.7
197.01221	74.1
200.02361	2.8
201.00713	52.3
203.02226	6.9
205.00307	2.8
205.03897	2.0
207.01759	5.4
209.01469	1.7
209.03360	6.0
211.02817	7.9
213.00720	4.9
213.04520	1.6
215.02275	62.6
215.04340	3.2
219.01773	66.9
220.02826	4.7
221.01247	5.1
224.02336	2.2
225.08154	2.3
227.02370	2.1
227.04289	3.8
229.00298	2.3
229.03912	3.0
229.11732	1.7
231.01772	7.3
237.02798	37.7
239.02287	33.6
239.04076	2.0
242.03494	3.2
243.01752	17.7
245.05302	3.2
247.02966	3.0
248.99352	7.8
249.02785	5.0
249.08258	4.4
251.02281	2.7
251.09721	9.5
253.03966	2.0
255.03906	4.0
257.03369	8.2
259.06552	2.3
261.02811	72.3
261.08316	3.2
262.03864	4.6
263.02179	2.6
265.03772	3.4
267.00153	11.4
269.03323	6.0
269.10599	13.7
273.02829	3.8
277.07413	9.9
279.03928	41.0
281.05609	2.1
285.01300	3.3
287.11621	4.0
290.01733	1.6
291.00299	5.8
291.03915	12.0
293.10532	2.7
295.08585	15.6
299.04489	2.6
299.28763	1.6
302.05420	3.8
309.01425	5.0
309.05072	1.8
311.11539	2.3
313.09512	16.3
314.10287	1.6
321.01575	2.4
321.04990	25.1
323.04398	6.4
325.02374	2.6
331.10529	3.0
333.01141	2.1
333.04828	3.6
335.00372	2.1
337.09735	2.7
341.05450	14.6
349.04755	2.2
351.02170	1.9
351.06009	6.6
351.11292	17.1
352.11530	2.7
353.02347	8.9
353.07495	25.7
353.11295	8.8
355.11511	2.4
359.06207	2.0
365.04984	3.1
367.09006	2.4
371.02817	22.7
371.08566	21.1
373.13214	3.4
381.07205	6.2
383.06433	2.5
389.03275	1.8
393.03372	5.5
394.09720	1.8
395.02737	2.3
399.08051	7.6
407.10181	2.4
411.04697	9.4
413.04230	3.5
413.09576	15.1
417.11990	3.1
423.05917	4.2
425.10995	2.5
440.13763	1.7
451.08960	2.5
455.07098	24.3
455.12958	3.3
457.08472	13.5
469.10269	11.9
479.04425	1.8
479.78827	1.7
481.11688	1.9
487.11044	7.1
493.08884	2.7
497.06061	11.6
503.03720	3.3
503.10788	45.4
511.09738	4.3
515.07178	14.0
555.08588	4.8
573.09552	21.6
585.11084	15.3
591.19226	4.9
659.11298	3.8
677.12439	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89762	1.4
53.03942	4.4
53.96648	1.5
55.01857	1.4
55.05284	1.6
55.05509	13.1
57.03429	6.5
57.07059	3.4
61.02930	30.8
65.03923	2.1
67.05506	66.7
69.03421	4.4
69.07062	10.1
69.87703	9.0
71.04975	2.8
73.02932	10.5
75.21770	1.4
79.05071	2.5
79.05492	30.3
81.03401	2.5
81.07057	71.2
83.04955	3.0
83.08621	7.9
85.02905	34.0
85.06528	3.0
85.55158	1.3
91.03963	31.3
91.05473	19.9
93.07043	49.8
95.04956	2.3
95.08608	58.6
96.08929	1.5
97.02898	17.8
97.06512	3.9
97.10155	3.3
99.04462	2.9
99.08116	2.4
105.07022	16.3
107.08595	31.8
109.02847	1.6
109.09473	2.8
109.10155	34.5
117.07026	8.7
119.08581	15.6
121.10139	34.2
123.08118	2.3
123.11699	16.3
125.09596	2.2
127.03938	11.6
131.08575	17.6
133.10144	13.3
135.11679	27.6
137.09621	2.4
137.13211	6.4
139.11177	1.6
145.04968	15.6
145.10114	13.9
147.11690	11.6
149.13249	21.0
151.11162	2.0
151.14748	2.9
159.11714	13.2
161.13243	10.5
163.03885	1.7
163.06020	26.7
163.14816	15.1
165.12717	3.2
173.13274	14.9
174.13721	1.5
175.03911	6.7
175.14795	3.6
177.12831	2.1
177.16377	5.0
179.14304	2.9
187.03990	2.4
187.14749	8.3
189.16571	2.0
201.16356	2.2
215.17854	2.5
224.29196	1.7
229.08810	2.0
233.22595	3.2
241.08713	2.0
243.10437	1.5
243.21091	35.8
247.09669	2.7
261.22144	100.0
262.22525	2.1
279.23148	6.8
313.14066	2.8
329.13852	1.8
331.15616	2.0
335.25790	33.2
353.26868	55.0
410.77515	1.5
497.31082	4.9
514.94550	1.6
594.34839	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01863	1.6
58.39532	0.9
61.55500	0.8
65.03928	2.4
67.05506	9.8
69.03415	3.1
69.07066	1.1
70.06606	7.5
71.06911	0.8
71.53690	1.3
72.08163	1.6
74.67008	1.2
79.05476	2.5
80.04998	1.9
81.03413	2.8
81.07046	3.5
82.06588	1.9
84.08136	2.9
85.02919	4.4
86.06046	1.6
86.09686	1.3
91.05466	3.0
93.05769	3.0
93.07034	2.6
94.06556	3.2
95.04974	6.8
95.07364	1.2
96.08140	2.7
97.02880	3.0
97.06514	2.7
99.04442	1.4
105.03395	1.5
105.07033	2.2
106.45333	1.0
107.04954	1.8
107.07372	0.9
108.04469	2.9
108.08115	39.9
109.02867	2.7
109.06483	2.7
110.06019	2.3
110.09689	5.1
119.04936	1.4
119.08607	1.3
120.08125	5.3
121.02859	1.8
121.06522	0.9
122.06026	2.5
124.07600	6.9
127.03883	3.0
128.07062	3.2
129.10268	1.8
133.02856	1.8
134.05960	2.6
135.04411	2.9
136.07582	84.6
137.05971	4.8
138.05505	18.6
138.09138	8.4
140.07080	2.0
145.10027	1.2
146.05998	1.7
147.04375	3.1
148.07581	6.2
150.05481	1.1
151.03888	1.7
152.07079	4.7
154.08621	4.0
160.07631	1.2
162.05489	3.7
164.07074	15.5
166.08644	6.9
167.07037	2.1
168.06535	2.0
172.07536	1.6
173.09613	1.0
174.05539	1.2
174.09154	1.1
175.03891	1.3
176.07065	1.0
177.42113	1.0
178.04977	0.9
185.00806	1.0
189.09123	3.3
190.08600	5.0
197.07088	1.3
198.07904	1.4
199.08682	3.8
200.07304	1.1
200.09291	1.6
206.08212	1.6
207.06509	3.1
211.08719	5.1
212.09386	2.2
213.10507	5.1
215.08206	1.7
223.08784	1.8
225.06651	1.3
225.10242	5.5
226.10812	1.0
227.08041	5.3
227.11771	3.5
229.09836	1.2
231.10013	1.9
237.10165	3.0
238.08658	1.1
239.08156	2.8
239.11778	4.0
240.08868	2.0
241.09760	6.4
242.10417	2.0
243.11314	1.5
251.08273	1.8
251.11795	1.1
253.09688	7.2
253.12263	2.6
254.10550	1.7
255.07671	2.6
255.11389	4.8
255.13571	1.0
257.09094	1.5
257.12881	1.9
259.10745	1.7
265.07169	1.1
265.09732	3.9
266.55896	1.1
267.11279	3.6
268.08432	2.0
268.11929	1.4
269.09259	4.6
271.10733	1.6
279.11316	1.2
281.09308	5.6
283.10809	5.1
284.11520	2.3
285.12283	3.1
287.10092	1.3
291.09775	1.0
293.09067	1.3
295.10742	5.6
297.09055	1.1
297.12286	2.3
299.10153	4.9
301.11868	1.9
303.10065	1.7
303.13446	1.0
311.10245	16.7
313.11829	18.9
314.12646	1.1
315.09796	4.9
315.13409	4.4
317.11481	1.4
318.12274	2.4
320.13861	1.7
325.11725	2.5
327.09970	1.1
329.11545	3.4
330.12503	1.5
332.13770	1.7
334.11862	1.4
334.15564	1.3
339.09671	2.2
341.11325	7.2
342.12061	3.2
343.09247	1.3
343.12866	6.3
344.13654	1.5
346.11703	2.1
346.15540	1.3
347.12915	2.5
348.13385	2.1
350.14948	2.7
351.15933	1.4
355.12579	2.1
357.10510	1.3
357.14954	1.4
359.12384	2.9
360.13434	2.7
361.14471	2.0
362.15033	1.6
364.12613	4.4
364.16763	1.9
366.14084	1.4
371.12268	1.8
373.13971	37.0
374.14542	3.2
375.11719	15.5
376.12546	1.5
376.16705	1.4
378.14337	2.9
378.18506	1.6
379.15497	1.7
380.15939	1.3
385.12796	5.6
388.16776	1.9
389.14743	1.7
392.15768	4.1
393.15179	2.2
401.13477	1.0
404.15936	2.3
406.13315	2.0
406.18344	5.1
410.16092	1.0
411.15720	3.0
416.16196	5.8
417.14236	1.2
418.12845	1.1
418.17838	2.2
419.15549	2.1
420.15445	1.5
424.14743	2.0
432.15332	1.7
434.12451	1.1
434.17142	12.7
435.15829	3.9
436.18570	4.9
438.16785	1.9
444.15607	2.3
446.16937	2.7
450.16711	4.2
452.18192	26.1
453.18372	2.5
462.16522	12.2
463.15439	1.6
464.18063	2.2
470.19559	1.7
474.16739	1.6
478.15955	3.7
479.16965	1.7
480.17682	70.6
481.17813	4.2
490.16019	1.9
492.17667	5.8
494.19293	7.9
495.17682	2.6
498.18649	12.4
510.18732	11.4
511.19391	1.7
512.20306	100.0
513.20367	7.3
522.18689	5.3
524.20227	9.7
530.21246	8.6
531.21368	2.0
536.20282	1.4
542.21033	3.1
573.21741	1.3
599.24921	1.5
617.26019	2.0
625.22583	1.1
643.23962	8.5
647.26849	3.2
657.25256	2.6
661.24969	6.1
667.45123	1.0
675.26221	9.5
693.25983	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	693.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01873	1.6
55.05508	2.3
56.94747	0.8
65.03938	2.2
65.84120	0.7
67.01872	1.7
67.05517	4.7
69.03424	3.2
69.07060	2.6
70.06593	4.5
71.05000	1.1
71.52213	0.8
71.52649	0.8
77.03919	0.8
79.05478	4.3
80.05016	3.0
81.03427	6.3
81.07062	6.0
82.06573	1.2
83.04964	2.1
83.08621	1.2
84.08145	1.9
85.02902	5.3
85.06541	1.4
86.06062	1.2
86.09703	0.9
87.00816	0.8
91.05479	7.2
93.05775	1.0
93.07052	4.7
94.06561	3.0
95.04960	3.2
95.08617	4.0
96.08101	1.2
97.02895	2.1
97.06523	1.4
99.04452	1.7
101.41886	0.8
103.05476	1.4
104.04971	1.1
105.03377	1.8
105.07046	5.1
106.06550	1.4
107.04958	1.9
107.08595	3.6
108.04483	3.6
108.08125	8.9
109.02892	2.8
109.06504	2.5
109.10139	2.3
110.06045	2.5
110.09646	0.9
115.21883	0.7
116.07092	0.9
117.07018	2.1
118.06577	0.9
119.04955	6.0
119.08564	3.6
120.08101	3.1
121.02862	1.9
121.06485	2.0
121.10118	2.0
122.06040	4.6
122.09650	0.9
123.11773	1.1
124.07589	3.2
125.05994	1.1
127.03882	3.7
129.07047	1.5
130.06534	3.6
131.04929	1.2
131.07344	1.5
131.08549	1.3
132.08072	3.7
133.06534	1.2
133.10135	2.2
135.04382	1.0
135.08015	0.8
135.11664	1.3
136.03932	6.3
136.07579	36.5
137.05960	2.1
137.07964	1.0
137.09627	1.5
138.05518	0.8
138.09148	1.3
143.08501	1.4
144.08084	4.6
145.06438	1.0
145.08957	1.2
145.10132	3.2
146.06041	1.9
146.09656	2.5
147.04401	4.9
147.11639	2.0
148.07587	3.9
149.09612	0.9
150.09106	2.2
151.03888	1.3
151.07610	0.9
152.07072	2.0
154.04999	17.4
156.08064	1.4
157.10129	1.2
158.06018	34.7
159.06760	1.2
159.11676	1.6
160.03957	7.4
160.07568	5.8
161.05995	1.0
161.09624	1.5
162.05472	0.9
162.09131	0.9
163.11198	1.7
164.07045	4.9
166.08574	1.3
167.07048	2.1
168.08160	1.0
170.08324	1.3
170.09624	1.9
171.11615	1.2
172.07524	4.8
173.09514	1.2
173.10777	2.0
174.05466	1.1
174.09100	2.0
175.03923	9.8
176.07065	2.8
177.05449	1.7
178.05005	4.5
178.08701	2.2
181.05005	1.6
181.10121	1.1
184.07495	1.7
185.07115	2.1
185.10809	1.6
186.05476	1.1
188.07011	1.0
190.08681	3.3
192.10159	2.0
196.07523	2.0
198.05518	2.5
198.07683	1.5
198.09225	2.3
199.08665	3.5
200.07118	4.3
201.10300	1.9
202.05042	1.2
202.08855	1.0
204.06622	4.2
204.10150	1.4
207.06516	17.2
208.06863	1.2
211.08829	1.1
213.06609	2.5
213.10269	3.3
214.07283	6.9
216.06569	3.8
218.08127	78.8
219.08772	4.5
220.09723	3.0
223.08682	1.3
224.07068	1.9
226.07396	3.4
227.05763	0.9
227.08116	2.8
228.08829	0.8
229.09686	0.9
231.07770	1.0
232.09654	0.9
236.09213	19.5
237.10196	2.2
239.08194	1.3
240.08928	2.4
241.09717	11.5
242.05823	1.1
242.08112	3.3
242.10301	0.9
243.07774	1.6
243.11398	1.1
244.06105	4.2
244.08295	0.9
246.07626	6.1
250.10748	100.0
251.11453	3.1
252.12511	2.1
253.09918	1.0
257.09271	2.3
259.10733	8.0
262.07086	2.4
262.10901	1.1
263.07870	3.9
264.08694	6.5
265.09811	1.0
265.20959	0.8
267.11066	0.9
269.09253	5.5
271.06079	3.7
272.08075	1.7
276.08682	3.4
277.11948	1.6
279.11203	1.4
281.09094	1.2
283.10846	1.0
285.07797	6.0
286.04752	1.5
287.05396	3.0
287.10275	32.6
287.13437	2.0
288.10760	1.0
293.09079	0.8
295.10843	2.5
297.12323	2.4
301.07043	4.2
303.09775	6.0
305.11319	50.8
306.11877	1.7
311.13892	4.0
312.07422	1.8
313.11633	1.5
315.13461	0.9
321.12271	6.0
321.45209	0.9
323.10251	1.5
330.16211	0.9
336.07449	3.2
339.13409	33.4
340.13937	1.5
351.09668	6.2
357.14459	21.3
365.11722	1.2
369.11514	1.2
371.11975	1.3
371.16086	15.0
375.15585	1.4
383.12161	1.0
389.17053	2.8
395.16974	1.0
401.13306	4.5
416.16049	1.3
458.16800	1.0
469.68872	0.8
476.18176	1.5
478.28647	1.9
484.65079	0.9
488.18057	5.0
496.30109	0.9
504.17682	17.8
505.18329	2.0
506.19293	8.5
520.20996	1.1
522.18604	2.5
536.20288	33.2
537.20587	2.4
607.20630	0.9
625.22559	5.5
643.23883	3.4
661.24829	3.5
693.28729	1.5
693.40302	1.6
694.28241	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62217	0.9
53.03917	1.0
55.01866	1.4
55.05499	1.1
65.03935	1.2
67.05502	3.7
69.03412	3.0
69.07058	1.8
70.06602	4.1
71.04977	1.5
79.05479	5.0
80.05007	1.1
81.03410	4.1
81.07066	3.5
82.06593	1.3
83.04980	1.1
83.63937	0.9
84.08147	1.5
85.02895	3.1
85.06541	1.1
86.09710	1.1
91.05484	5.4
93.07043	9.0
94.06560	9.7
95.04977	2.4
95.07341	6.5
95.08578	2.4
96.08134	12.8
97.02875	1.2
97.06515	2.2
99.04514	1.0
103.05445	1.0
105.03387	1.7
105.07031	2.8
107.08579	2.0
108.08110	13.8
109.02889	2.1
109.10144	1.1
110.05969	0.9
110.09679	26.9
110.10410	1.8
111.08050	0.9
112.07648	1.0
117.07043	1.3
119.04927	2.8
119.08617	1.4
120.04459	2.1
120.08104	18.9
121.06502	1.3
122.06024	12.6
122.09668	1.3
123.06802	1.2
124.07608	3.0
125.04919	0.8
127.03898	2.1
128.07094	5.3
129.07263	0.8
130.06575	1.0
131.08542	1.4
133.06499	1.2
133.10101	1.2
135.04375	1.0
136.07579	13.4
137.05925	1.3
138.09128	31.0
140.07047	3.8
145.10110	1.8
147.04454	1.1
148.07530	5.6
149.09525	0.9
152.07069	1.0
153.01891	1.0
158.05972	1.0
158.08148	1.8
159.11678	1.0
160.07593	0.9
163.03893	1.0
163.11157	1.2
164.07066	1.9
166.08638	38.3
170.25839	0.8
172.03976	1.1
173.09535	0.9
175.03902	2.2
181.04993	0.9
187.11237	1.7
192.06549	1.3
192.10179	1.0
195.09091	1.5
197.10818	1.8
199.08672	1.3
201.09071	0.9
204.06572	2.5
206.08226	1.9
207.06575	6.0
208.09862	1.6
209.10736	6.8
218.08136	1.5
220.09933	1.2
221.10756	3.2
221.82671	0.9
223.08638	4.8
223.12350	2.3
224.09349	1.3
225.10199	5.4
235.08681	8.4
236.09444	5.5
237.10201	16.6
237.12459	1.4
238.10748	1.5
239.08205	1.0
239.11885	4.6
241.09613	1.8
248.09319	1.2
249.10242	29.3
250.10965	8.5
251.08113	6.5
251.11790	13.3
252.08905	2.8
253.09721	8.4
255.13835	1.7
259.10709	1.7
261.10150	3.8
263.08133	6.3
263.11926	1.2
264.08905	6.2
265.09732	16.7
266.10541	1.9
267.08618	1.3
267.11249	9.7
269.09232	2.7
271.05988	1.6
277.09720	24.1
277.12552	1.8
278.10510	8.7
279.07693	8.4
279.11298	23.7
280.08279	2.4
280.11826	2.0
281.09204	3.3
281.12903	1.3
282.09979	2.6
283.10901	2.7
285.12277	1.6
287.05478	3.6
289.09634	1.2
291.07684	4.6
292.08356	4.1
293.09290	4.7
295.10782	11.1
296.11475	1.6
297.08975	1.7
297.12332	4.2
298.09576	4.1
299.10107	1.3
305.09100	15.4
305.12036	1.3
306.09811	1.4
307.10782	20.7
308.11435	3.9
309.08698	6.1
309.12167	2.2
310.09323	1.6
311.10239	8.6
313.11887	1.7
316.16275	1.2
319.12857	1.3
321.08588	5.4
323.10242	15.2
324.10666	1.1
325.11890	7.1
326.12555	2.7
333.08713	9.5
337.11761	3.7
339.09781	4.1
339.13437	1.7
340.10626	2.8
341.11230	1.2
342.15961	1.1
343.12958	1.8
351.09747	53.7
352.10281	3.1
355.12817	6.6
356.13641	1.6
357.14575	1.7
365.11368	3.9
367.13107	1.4
369.10788	3.2
370.11688	2.3
371.12299	29.3
379.12991	0.9
383.12347	31.8
384.12991	2.1
388.16736	1.3
398.15216	1.2
401.13828	1.3
404.16006	1.0
428.15649	1.0
454.13568	2.4
458.17139	1.3
460.18503	2.9
463.16470	0.9
472.15112	5.4
476.18195	3.5
477.19409	1.4
478.19769	3.1
479.64154	1.0
486.16476	3.4
492.17633	4.5
504.17703	25.4
505.18472	20.6
506.19073	1.4
508.20300	3.0
510.22571	1.3
518.18994	5.2
522.18750	1.5
531.16479	1.4
536.20282	100.0
537.20911	12.4
625.23114	3.1
639.24109	2.3
643.24658	1.2
657.25653	8.9
675.26642	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	693.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05503	1.0
67.05495	0.7
69.19098	2.8
69.19527	3.8
70.06586	1.4
73.30898	0.6
77.74086	0.6
79.05481	1.1
82.06590	0.7
85.02905	0.9
86.09719	0.7
91.05483	1.4
93.07046	1.6
94.06570	2.5
95.07330	1.0
96.04510	0.7
96.08127	3.6
97.06524	1.1
98.20782	1.4
103.05490	0.8
105.06999	0.7
108.04516	0.8
108.08109	3.0
109.02862	0.7
109.06563	0.7
110.06026	0.6
110.09680	6.3
112.07622	0.6
116.04948	1.4
120.08109	4.9
121.02861	0.7
122.06020	4.3
124.07599	2.3
128.07068	0.9
128.17668	0.7
136.07578	4.2
138.09143	8.1
144.04431	3.7
145.10077	0.8
146.06000	2.6
147.04523	0.7
148.07552	2.5
149.07065	0.9
150.05486	1.1
152.07051	2.6
158.09662	1.2
160.07549	1.2
162.05446	1.5
164.07042	1.1
166.08643	8.9
170.09634	1.0
172.03929	15.2
172.07593	0.8
175.12325	0.9
186.09163	4.6
187.08676	1.3
188.07031	0.8
188.09555	1.1
190.04956	2.7
200.07129	0.8
200.10701	1.3
202.10968	2.8
203.11742	6.1
204.06564	23.5
207.06537	1.1
209.10835	0.8
210.09213	0.8
213.10216	2.6
214.08643	10.4
214.10651	0.5
214.21364	0.7
215.08167	3.9
217.09770	1.2
220.09711	1.7
222.07819	1.2
225.10228	0.7
227.11740	1.2
228.10251	3.9
229.09677	1.3
231.11275	5.3
237.10303	5.1
238.10896	0.6
239.11751	0.9
240.08807	0.7
241.09775	2.9
242.08113	2.4
243.10901	0.7
245.09239	1.1
245.12991	0.7
247.10846	1.0
251.08076	3.2
253.09769	1.1
255.11220	6.5
256.09668	3.4
257.09360	0.9
257.12863	1.3
259.10785	75.7
260.11154	2.6
265.09729	6.0
266.10434	0.7
267.11221	1.5
273.12354	5.6
281.09143	0.9
283.10916	3.6
285.08813	0.8
285.12286	0.9
287.05515	1.5
287.10236	1.1
293.09155	2.4
295.10721	3.5
297.12286	1.1
301.11823	60.7
302.12088	2.1
303.13394	1.0
311.10272	10.4
312.10626	0.7
313.11661	1.7
319.12885	100.0
320.13211	3.9
321.08691	2.4
323.10104	0.9
325.11786	5.1
337.13940	25.6
338.14166	1.3
339.09726	14.4
341.11105	1.0
343.12875	1.0
357.10764	3.9
357.14603	2.5
371.12396	31.7
372.13101	1.5
416.16071	1.0
442.17560	1.8
448.19083	0.8
448.65375	0.8
458.17279	0.9
460.19339	1.5
476.17975	2.3
492.17618	1.7
496.17056	4.7
504.17679	7.5
505.17838	1.1
522.18848	4.0
528.19470	1.5
536.20471	5.5
601.21210	0.6
625.22711	1.1
629.26294	0.7
643.23810	1.9
661.24640	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.8
55.01851	1.0
55.05487	0.8
67.05477	1.3
69.03401	0.7
69.07037	0.6
70.03176	2.0
70.06548	1.7
79.05473	1.2
81.03388	0.7
81.07037	0.7
83.04951	0.7
85.02870	1.3
91.05455	1.3
93.07011	1.4
94.06530	2.1
95.04932	0.9
95.07308	1.4
95.08556	0.8
96.08131	2.9
97.02881	1.0
97.06525	1.0
99.04456	0.7
105.03324	0.5
105.06973	1.1
108.04418	0.7
108.08138	4.9
109.02895	0.6
110.06009	1.7
110.09718	3.3
112.64749	0.5
116.04939	1.4
117.07004	0.6
119.04910	1.2
120.08113	3.1
122.06029	4.1
124.07610	3.1
124.20205	0.5
127.03866	1.2
128.06123	0.6
131.08533	0.7
132.08083	0.5
134.05951	0.6
134.09634	0.8
136.07576	7.8
137.05956	1.0
138.09145	5.4
140.10680	0.7
144.04443	3.7
145.05089	0.5
145.06401	0.6
145.10048	1.1
146.05994	1.9
147.04442	0.9
148.07497	1.8
150.05470	1.7
152.07085	2.6
158.09576	0.7
160.07518	1.4
162.05460	1.9
162.09071	1.0
163.03873	1.0
164.07001	1.2
166.08607	4.7
172.03938	17.6
174.09138	1.8
175.03841	1.2
175.12328	1.0
176.07098	0.9
178.04889	0.7
186.09140	5.7
187.08655	1.3
188.07040	0.7
188.09302	0.8
190.05009	4.0
190.08635	1.8
196.07660	0.7
198.09157	1.0
200.10732	1.1
201.10159	0.9
202.08676	1.2
202.10965	2.4
203.11783	6.5
204.06554	23.3
207.06493	2.6
210.09073	0.7
213.10194	2.3
214.08635	11.2
215.08202	4.1
216.08937	1.3
217.09677	0.9
218.08180	1.4
220.09735	1.1
223.08719	0.9
227.08319	0.7
228.10236	3.7
229.09712	2.1
230.10493	0.9
231.11310	6.5
237.10248	2.4
239.08189	0.7
239.11847	1.1
241.09721	3.3
242.08083	2.0
243.11246	0.5
245.09213	1.1
245.12807	1.0
247.10796	0.9
251.08008	1.2
252.08916	0.9
253.09785	0.7
255.11288	5.0
256.09641	3.4
256.13992	1.0
257.09189	1.5
257.12808	1.4
259.10773	75.3
260.11044	2.1
261.10123	0.6
265.09747	2.7
267.11301	0.7
273.12305	7.2
283.10803	4.5
285.08643	1.0
285.12222	0.6
287.05362	0.9
289.11780	0.6
293.09140	1.1
295.10773	2.8
297.08728	0.7
297.12271	1.3
301.11826	59.2
302.12119	1.9
311.10226	4.3
313.11798	1.8
319.12878	100.0
320.13150	3.1
321.08578	0.7
325.11810	4.9
333.14539	3.6
335.12436	0.7
337.13928	23.4
338.14380	0.8
339.09750	5.4
339.13443	1.0
341.11340	0.9
342.12082	0.9
343.12973	1.3
357.10822	2.6
357.14478	2.0
371.12424	11.8
375.11826	1.1
414.14261	0.8
431.73944	0.6
434.17178	0.6
442.17508	1.0
444.16309	0.7
460.14325	0.7
476.18295	0.8
478.15826	0.6
486.16714	1.0
492.17725	1.3
496.17041	1.4
504.17532	3.7
510.18954	0.9
522.18781	2.2
530.21564	0.9
536.20465	3.6
615.24475	0.6
625.22760	0.9
633.25275	1.1
643.24170	1.1
647.27362	1.0
657.25165	1.6
661.25134	3.1
675.26642	9.4
693.27557	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	693.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87175	0.9
53.03940	1.6
54.03992	0.9
60.84917	1.0
67.05502	1.7
69.03451	1.4
70.06574	3.0
79.05500	1.8
80.05014	1.7
81.03411	2.4
81.07054	2.0
85.02882	1.4
86.09709	1.5
91.05479	3.3
93.07046	1.8
94.06573	2.2
95.04982	1.6
95.08594	1.2
98.21548	2.0
105.03384	1.7
105.07024	1.0
107.08592	1.7
108.04453	3.2
108.08117	6.5
108.08759	1.1
109.02854	1.3
110.06017	2.2
119.04963	2.0
120.08128	1.6
122.06013	4.5
122.09643	1.0
124.03962	1.0
124.07597	2.1
129.06972	1.1
130.06548	4.0
132.08096	2.9
133.02847	1.0
133.10172	1.2
136.03955	5.3
136.07574	31.2
137.05949	1.1
138.09175	1.1
144.08095	5.4
146.05972	1.9
147.04434	1.4
147.11710	1.4
148.07562	2.1
152.07004	1.7
154.04985	15.2
155.07237	1.0
156.08038	1.4
158.06017	38.0
158.09607	1.1
160.03915	5.5
160.07565	5.5
164.07054	3.7
166.08644	1.6
168.08026	1.2
170.05946	1.2
170.09593	1.5
172.07576	5.2
174.09158	2.1
175.03896	1.5
176.07083	3.2
177.05458	2.4
178.04971	3.1
185.07176	1.3
185.10747	1.9
186.05400	1.6
186.07883	1.2
188.07149	1.2
190.08644	3.4
190.39677	0.9
192.10167	1.9
198.05592	1.6
198.07800	2.5
198.09346	1.6
199.08650	3.0
200.07086	4.0
201.10271	2.1
202.03279	1.3
204.06590	3.8
204.10181	1.0
207.06528	4.5
212.09499	1.2
213.06560	2.4
213.10161	3.1
214.07344	6.4
216.06679	3.0
218.08112	79.4
219.08698	5.2
220.09549	1.6
222.11452	1.5
223.08635	1.2
224.07068	2.3
226.07394	3.9
227.08261	2.6
229.09755	1.5
236.09198	22.1
237.10141	2.1
240.08904	1.7
241.09703	11.0
242.08157	1.7
244.06056	4.6
246.07663	7.7
250.10748	100.0
251.11282	4.8
252.12416	2.3
257.09222	1.5
259.10809	5.0
262.07153	2.5
262.11029	1.5
263.07971	1.9
264.08636	6.1
269.09201	3.8
271.06049	2.1
272.07941	3.0
276.08685	3.8
277.11908	1.8
279.11191	2.2
285.08557	1.5
287.10272	27.1
288.10553	1.4
303.09775	4.2
305.11310	41.0
306.11841	1.6
307.73013	1.0
311.10431	1.5
311.13950	3.5
312.07483	1.5
321.12250	5.7
336.07361	3.5
339.13391	30.0
339.17505	1.5
340.13754	1.7
351.09879	6.6
357.14478	18.8
358.15216	1.6
370.11578	1.1
371.12018	1.2
371.16129	17.3
372.16650	1.3
383.12558	1.7
389.17151	2.7
398.15219	1.5
401.13458	2.7
444.15781	1.1
458.16483	1.3
476.18042	1.8
488.18152	3.8
504.17639	16.8
505.18396	1.4
506.19052	7.4
522.18878	2.3
535.44043	1.1
536.20251	29.3
537.20514	2.1
625.22302	2.6
643.23914	2.1
661.24609	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
54.00460	2.1
55.05521	1.9
63.87778	1.6
65.03928	2.4
67.02929	1.7
67.05496	5.5
69.03431	5.3
69.07076	4.5
69.79201	1.7
70.06585	7.2
71.04952	2.9
71.51992	2.4
72.04535	2.9
72.08151	2.6
79.05492	6.6
80.37717	1.9
81.03399	6.9
81.07066	5.5
83.04957	2.6
84.08112	4.0
85.02898	6.6
85.06532	2.9
86.09710	2.7
91.05490	17.1
92.05779	2.2
93.07047	11.6
94.06573	5.8
95.04966	4.2
95.07359	5.0
95.08601	6.0
96.08141	11.7
97.02900	5.1
97.06518	4.9
99.01948	1.8
99.04448	2.6
105.03362	4.4
105.07036	5.4
105.39338	1.6
107.04955	2.4
107.08595	3.8
108.08113	8.6
109.02872	6.0
109.06540	3.7
109.10107	1.7
110.09685	23.8
111.04488	2.3
119.04936	18.5
119.08528	3.0
120.05294	3.5
120.08127	16.6
121.02876	2.8
121.06487	4.6
121.10140	2.7
123.11655	2.0
124.07587	2.0
125.06101	1.6
127.03922	6.4
131.08574	2.2
133.02843	1.9
134.05992	4.1
136.07579	6.9
137.06050	2.8
138.09151	28.3
145.02849	6.5
145.10205	3.1
146.03200	2.7
147.04424	15.7
148.04800	4.4
148.07581	4.3
149.09604	1.7
152.07100	1.9
161.09523	2.5
164.07025	1.8
166.08655	24.7
167.06981	1.9
175.03923	23.9
176.04222	8.6
177.05583	10.2
178.05745	1.9
179.07126	2.5
184.07275	2.2
189.12759	1.9
195.09181	2.0
197.10826	2.2
204.06841	2.0
207.06538	53.5
208.06819	17.6
209.07100	8.5
215.10696	2.3
218.07883	1.7
222.11311	16.0
223.11723	8.4
225.10294	8.8
226.36394	1.9
235.08842	2.2
236.09377	3.5
237.10236	13.6
238.10918	4.0
239.11794	15.6
240.12489	2.5
249.10182	7.1
250.10789	2.7
251.11864	19.5
252.12630	6.8
253.09651	5.1
253.13274	2.2
255.11383	2.8
255.14001	2.8
263.11923	3.3
265.09750	9.3
266.10349	3.9
267.11243	12.5
269.09265	1.7
269.12875	7.1
271.06067	22.4
272.06192	2.1
277.09726	2.0
278.10544	3.8
279.11356	11.8
280.12140	5.3
281.12891	4.4
282.13556	2.1
283.10709	4.1
285.12405	4.2
293.12857	4.6
294.09933	2.3
295.10840	3.0
295.14407	3.7
297.09018	2.8
297.12378	6.0
307.10614	2.7
309.12323	3.8
311.10352	2.4
311.13705	3.6
312.10962	4.9
313.11829	5.6
325.11880	12.4
327.13403	64.0
328.13788	3.0
335.10233	2.0
339.10144	2.4
339.13431	66.3
340.13959	4.0
344.14651	2.0
351.09772	2.4
355.13007	2.2
365.11255	3.6
370.15515	2.1
400.16412	2.4
416.15878	2.4
426.14334	2.9
428.16290	4.6
434.17142	6.1
446.17111	16.3
454.13782	2.2
460.18951	2.4
472.14838	5.1
478.20102	3.9
492.21335	100.0
493.22064	36.4
510.22571	13.6
518.19244	22.1
519.19781	3.2
536.20319	24.1
554.21490	14.0
557.22943	1.9
581.24402	4.5
599.25098	14.6
625.22614	7.9
643.23584	3.4
661.24628	2.5
693.40002	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	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48665	1.0
51.02389	1.0
53.03941	4.0
53.75549	0.8
55.01873	7.2
55.05510	37.7
57.03156	1.8
57.03432	23.5
57.07067	3.5
59.04992	4.3
61.02918	9.5
61.82262	0.9
65.03934	2.1
67.05504	100.0
68.03769	0.9
69.03426	5.0
69.07067	17.7
70.04257	2.4
70.04679	2.4
70.89986	1.1
71.01365	1.5
71.04996	6.5
71.08636	0.9
72.57549	0.9
73.02928	6.8
75.72408	1.0
79.05492	42.3
81.03416	13.7
81.07054	76.4
82.07375	0.9
83.04984	11.8
83.08617	23.0
85.02898	20.9
85.06542	3.7
87.04469	5.9
91.03947	4.3
91.05479	31.3
93.07043	48.0
94.27066	1.1
95.04964	9.9
95.08601	29.7
97.02896	7.0
97.06524	11.3
97.10168	15.0
98.21473	1.0
99.04478	2.4
99.08093	2.2
103.03954	1.3
104.39211	0.9
105.04536	1.2
105.07021	12.1
105.96687	1.1
107.04942	4.4
107.08593	31.6
109.02864	2.1
109.06512	4.6
109.10156	53.1
110.10501	1.6
111.04408	1.6
111.08083	6.4
111.08743	1.3
116.04704	1.3
117.07004	10.1
119.08587	10.8
121.06505	2.8
121.10136	11.7
123.04436	1.1
123.08079	1.9
123.11718	4.9
125.09633	16.6
127.03941	2.2
129.05466	5.7
129.06990	2.7
129.11855	1.0
131.08565	11.3
133.10135	12.2
135.08034	4.2
135.11685	10.6
137.09601	3.6
137.13196	2.0
139.11142	1.1
143.06993	1.1
143.10687	4.3
145.10139	6.0
147.11646	4.8
149.09596	2.3
149.13240	14.7
151.11140	1.7
153.12723	3.9
155.10651	2.4
157.10074	1.8
159.11690	8.2
161.13239	1.7
163.11162	8.4
165.12801	3.0
173.09558	2.0
173.11752	16.8
173.13240	1.9
173.78793	1.2
175.03926	2.3
175.11172	2.0
177.12759	4.6
181.12221	2.9
185.13239	1.1
187.14813	1.1
189.11194	1.8
191.10612	3.2
193.12206	4.0
195.13811	16.0
199.13301	9.4
205.19513	1.6
209.11720	9.1
211.13338	3.3
213.14830	2.2
227.12755	10.4
229.14348	60.1
230.14700	1.3
239.16431	3.4
251.16559	1.1
257.13815	2.0
265.14307	1.2
267.15930	10.4
269.17477	68.9
283.15454	6.1
285.16949	1.3
297.17053	1.3
301.16483	19.2
313.14297	1.2
323.18646	1.3
393.26331	2.3
408.33255	1.4
411.27469	6.5
423.27402	38.6
424.27499	1.0
425.33856	1.6
426.34488	6.1
431.27640	1.3
444.35880	1.3
449.29016	2.2
451.27768	1.1
477.28351	2.6
495.29498	62.5
496.29721	2.8
513.30573	31.1
525.83118	1.0
692.22778	1.1
692.40503	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	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
55.01862	7.3
55.05507	33.3
56.81761	1.1
57.03429	19.0
57.07062	3.6
59.04994	3.5
61.02921	7.8
63.95357	1.3
65.03933	3.7
67.05500	100.0
69.03434	6.9
69.07064	19.6
69.49962	10.0
71.04972	7.5
73.02905	5.5
75.14880	1.3
79.05487	40.2
81.03407	14.8
81.07051	77.2
83.04972	11.6
83.08614	23.7
85.02896	19.0
85.06534	5.9
87.04446	4.5
91.03936	5.1
91.05473	30.4
93.07042	44.4
93.07635	1.9
95.04974	9.4
95.08598	25.6
97.02885	8.1
97.06513	10.4
97.10162	16.0
98.21485	2.7
98.28735	1.3
99.04480	1.3
99.08102	1.7
103.03947	1.8
105.07024	14.0
105.18552	1.2
107.04920	5.2
107.08579	29.7
109.06492	4.3
109.10153	48.4
111.04410	1.6
111.08071	7.3
117.06994	7.7
119.08564	9.4
121.06489	3.4
121.10144	11.6
123.08051	1.9
123.11713	5.4
125.09627	13.8
127.03880	2.3
129.05486	4.5
129.06958	2.6
131.08559	11.3
133.10112	15.2
135.08047	1.5
135.11691	12.7
137.09621	4.1
143.10632	2.2
145.04982	1.7
145.10126	5.2
147.08043	1.8
147.11667	4.5
149.09619	1.9
149.13240	15.0
151.11162	1.8
153.12730	3.0
155.08589	1.8
155.10690	3.0
157.10109	2.5
159.11684	7.4
163.11162	10.3
165.12711	1.9
173.09598	2.4
173.11731	18.4
175.03908	2.1
175.11211	1.4
177.12740	3.9
181.12227	2.2
183.24883	1.5
185.11778	1.7
191.10680	3.4
193.12250	4.0
195.13792	16.8
199.13278	6.0
209.11726	7.3
211.13255	2.9
213.14838	2.3
227.12776	9.5
229.14330	57.6
229.16600	2.9
239.16394	2.4
257.13824	1.8
267.15881	8.5
269.17456	77.7
283.15323	6.7
285.16794	1.8
297.16861	1.3
301.16452	19.5
301.19717	2.2
357.24182	1.8
393.26227	1.9
411.27322	4.5
422.26636	1.7
423.27399	45.1
437.28909	5.3
463.30557	8.0
477.28561	2.6
495.29373	48.9
513.30591	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	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.01876	8.8
55.05511	35.3
57.03427	20.8
57.07075	2.4
59.04995	2.8
61.02926	8.5
65.03925	3.7
65.29190	1.0
67.05505	100.0
69.03423	6.6
69.07069	21.2
69.45685	1.1
69.81360	1.2
71.04980	5.3
73.02905	4.6
79.05496	41.6
81.03419	14.2
81.07055	72.4
83.04993	9.2
83.08620	21.5
85.02915	20.0
85.06528	5.4
87.04482	6.6
91.03933	3.9
91.05479	29.1
93.07044	48.4
93.07634	2.5
94.57009	1.1
95.04966	10.1
95.08612	23.8
97.02863	5.9
97.06509	11.0
97.10169	13.1
98.20735	2.5
99.04453	1.4
99.08092	2.4
103.03936	2.0
105.07027	13.3
105.64639	1.3
107.04939	3.4
107.08597	30.0
109.02908	2.1
109.06502	2.7
109.10159	51.8
111.04457	1.4
111.08105	6.9
113.94331	1.3
116.04656	1.2
117.07030	9.6
119.08592	9.0
121.06490	4.3
121.10145	13.7
123.08047	3.0
123.11703	4.2
125.09631	14.1
125.28923	1.2
127.03924	2.3
129.05492	5.7
129.07004	3.3
131.08588	9.4
133.10139	15.8
135.08000	2.8
135.11668	12.0
137.09604	3.4
137.13248	1.3
143.08559	1.3
143.10645	2.5
145.05002	1.4
145.10110	4.9
147.08032	1.9
147.11661	6.5
149.13239	15.7
150.13562	2.0
151.11137	1.9
153.12755	4.2
155.08569	1.5
155.10664	3.7
157.10025	1.4
159.11736	9.9
161.13213	1.5
163.11217	8.1
165.12746	3.1
167.14204	1.3
173.09535	2.3
173.11732	15.7
177.07788	1.5
177.12743	4.8
181.12207	3.2
191.10640	4.4
193.12210	5.0
195.13799	15.7
197.11731	1.2
199.13281	10.0
205.19440	2.3
209.11754	7.6
211.13275	5.0
213.14818	3.0
227.12762	10.0
229.14346	55.7
231.06572	2.7
239.16432	4.9
257.13779	1.7
267.15894	9.4
269.17477	64.5
283.15460	7.5
297.16962	1.8
301.16461	22.2
411.27496	6.8
422.25952	1.4
423.27405	35.6
426.34351	6.4
431.27768	2.3
449.28601	1.9
477.28113	2.7
487.64670	1.3
495.29556	64.9
513.30603	32.3
692.41089	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	692.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37494	2.8
55.01857	7.6
55.05511	24.1
57.03426	13.2
59.04998	3.6
61.02912	3.7
62.99402	2.4
65.03947	4.0
67.05505	60.4
69.03411	5.9
69.07059	20.2
69.38717	17.8
69.39124	3.8
71.01347	2.8
71.04981	9.0
73.02914	3.0
79.05495	42.6
81.03422	36.9
81.07055	71.4
83.04979	22.6
83.08614	21.8
85.02924	17.7
85.06526	6.6
91.05484	31.6
93.07040	57.6
95.04955	15.3
95.08607	31.3
97.02879	12.9
97.06522	10.6
97.10160	9.0
99.04459	4.1
105.07024	17.9
105.22006	2.5
107.04944	21.6
107.08605	34.7
108.08488	2.4
109.02864	3.4
109.06496	7.9
109.10154	19.2
111.04433	8.6
111.08121	6.1
117.07019	13.4
119.04929	2.9
119.08606	16.6
121.06483	9.0
121.10146	23.3
123.08042	6.9
123.11708	6.5
125.09624	10.0
127.03949	5.1
129.07004	10.9
131.04904	3.1
131.08594	12.8
132.04572	3.0
133.10132	15.2
135.08102	3.4
135.11693	22.6
141.06943	2.4
143.08531	6.1
145.06468	5.6
145.10100	17.8
146.06006	3.1
147.04396	3.3
147.08058	6.1
147.11674	7.9
149.09599	3.7
149.13266	15.9
153.12785	8.1
154.19843	2.5
155.08568	5.5
157.10146	4.4
159.11667	13.6
163.11189	32.4
165.09084	4.6
173.09615	6.2
175.11150	3.4
177.12698	5.7
180.08328	2.3
181.12204	5.2
191.10683	9.6
193.12352	3.5
195.11920	2.4
195.13794	7.7
200.10738	8.1
209.11749	14.6
227.12758	9.8
229.14278	5.9
245.75786	3.0
265.14404	9.3
267.15900	12.5
269.17462	31.6
283.15433	21.6
301.16495	17.1
319.13162	3.9
368.02646	3.1
385.23859	5.8
413.21802	8.5
423.26984	3.7
449.29037	5.3
459.27386	33.1
477.28503	93.5
495.29556	100.0
554.95557	3.0
582.33344	3.2
585.30304	3.1
603.31085	6.8
621.32617	38.2
639.33942	29.6
692.25385	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	692.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10574	2.0
53.03186	2.8
53.03932	6.7
53.79208	2.5
55.01862	8.5
55.05512	20.4
57.03431	13.1
57.07071	3.0
59.04987	2.9
61.02921	4.7
67.05505	61.6
69.03405	5.3
69.07067	18.0
69.41621	13.2
69.42030	4.7
70.06587	3.7
71.04983	6.6
73.02908	7.4
79.05497	36.8
81.03430	24.9
81.07059	63.3
83.04973	15.7
83.08626	14.5
85.02910	12.1
85.06510	4.3
86.09724	2.6
90.98708	2.4
91.05478	24.6
93.07045	43.4
95.04971	12.7
95.08609	25.1
97.02895	11.2
97.06542	9.5
97.10175	11.1
99.04442	3.4
103.05520	2.5
105.03458	3.2
105.07030	15.8
107.04968	15.9
107.08595	29.0
109.06525	4.8
109.10163	15.0
111.04446	9.5
111.08082	5.9
117.07022	16.4
119.08587	14.7
121.06525	6.4
121.10161	17.0
123.08079	9.1
123.11723	2.4
125.09637	11.5
127.03983	3.8
129.07005	5.9
131.08562	15.2
133.10153	15.7
135.08083	4.9
135.11685	16.5
143.08611	4.1
145.10130	19.1
147.04456	2.7
147.08035	3.8
147.11691	6.9
149.09604	3.8
149.13271	12.8
151.07574	2.7
153.12759	8.7
155.08446	2.4
157.06538	2.5
159.11702	10.4
163.11206	21.8
171.02823	2.3
173.04501	4.1
173.09633	7.8
173.11708	2.8
175.11345	2.4
177.12772	5.9
181.12219	6.9
184.62465	2.0
185.09676	2.4
191.10690	7.7
193.04955	2.5
195.13797	8.8
199.13239	3.8
200.10692	3.5
209.11745	14.5
227.12820	14.3
229.14377	9.3
233.15338	4.5
265.14401	8.6
267.15927	9.1
269.14835	4.4
269.17474	38.2
283.15387	18.3
285.17087	3.4
301.16409	19.1
337.22006	2.6
385.23871	2.5
411.27588	3.5
413.21759	4.3
423.27359	9.6
449.29459	5.5
451.79022	2.4
459.27414	20.2
477.28537	64.2
478.28745	3.4
495.22321	5.1
495.29547	100.0
585.29706	3.5
603.31641	4.8
621.32800	31.7
639.33624	20.7
640.33661	2.6
692.26263	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	692.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
53.07429	0.4
55.01855	1.0
55.05478	1.5
57.03412	0.6
61.02906	0.4
67.05482	1.5
69.03406	1.8
69.07041	0.9
70.06588	4.6
70.63908	0.7
70.64244	0.8
71.04960	0.6
74.06055	0.5
79.05489	1.1
81.03435	2.0
81.07030	1.8
82.06569	1.0
83.04977	1.1
84.08132	0.7
85.02913	4.4
85.06533	1.1
86.06038	0.6
86.09695	2.8
87.72376	0.5
91.05475	2.7
93.07029	1.4
95.04954	1.1
95.08572	1.4
97.02880	1.4
97.06519	0.5
99.04437	1.0
105.03370	2.8
105.07015	1.3
105.36794	0.5
107.04964	0.8
109.02850	1.3
109.10172	0.9
112.07583	0.4
117.07046	0.5
119.04903	1.1
119.08554	0.6
120.08114	0.9
121.02882	1.0
121.10104	0.8
122.09631	0.4
127.03905	1.7
128.07072	5.9
129.06985	0.6
131.04976	1.0
131.08527	0.5
133.06522	0.7
133.10143	0.8
135.04387	1.3
135.07996	0.5
136.07565	0.5
137.05977	0.9
138.09123	0.5
141.06956	0.5
143.08554	1.1
145.04939	0.6
145.10085	0.9
147.04395	2.2
147.07982	0.8
149.05948	0.6
152.06998	0.6
155.08536	0.7
157.06500	0.6
157.10094	1.7
159.04457	0.6
159.08070	0.5
159.11574	0.4
161.05948	0.5
161.09602	0.6
163.03865	0.5
166.08679	0.7
167.07101	0.6
171.04350	1.4
171.08060	1.6
172.03983	0.5
172.08824	1.6
173.05977	0.8
173.09599	1.5
175.03865	1.6
176.07130	0.6
177.05446	2.0
178.02521	0.4
181.10208	0.6
184.08760	0.6
185.06055	0.6
185.09612	6.3
187.07487	0.9
189.05441	0.6
189.09085	5.0
195.08189	0.9
197.06023	0.6
198.06671	1.1
199.07596	0.5
199.11214	1.4
201.05354	0.8
201.09116	12.3
202.09258	0.5
204.06610	1.0
205.04985	0.6
207.06563	2.6
207.10136	0.9
209.09737	0.5
212.08269	1.9
212.11877	0.8
213.09103	26.0
213.12523	1.2
215.10681	0.9
217.08583	0.8
219.10178	0.8
220.09766	0.6
224.10789	1.7
225.09074	1.2
227.10727	4.7
227.14255	7.8
229.08572	0.8
231.10068	2.2
233.11659	0.6
237.12750	7.7
240.11470	3.7
243.10184	1.5
245.11720	2.1
247.09763	2.3
247.11797	0.5
249.11163	1.9
251.14363	1.3
251.95490	0.4
253.12230	1.0
255.10378	3.3
255.13792	84.6
256.14304	2.1
263.13858	1.1
264.14191	0.8
269.15338	3.9
271.06015	1.3
272.06314	0.9
273.11316	1.4
273.14856	6.6
297.14841	15.1
297.18216	0.8
315.15891	100.0
316.16248	3.2
321.07465	0.6
332.13568	0.7
333.16904	7.8
350.14432	1.5
408.30966	0.6
459.20102	0.9
477.21130	0.5
536.20276	0.7
550.64160	0.4
674.41119	0.9
692.27148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01860	1.3
55.05508	5.2
57.03435	0.9
57.07066	1.7
61.02911	0.6
65.03928	0.7
67.05505	12.0
68.99799	0.9
69.03078	0.7
69.03429	6.8
69.03783	0.8
69.07067	7.2
70.26198	1.0
70.26588	1.0
71.04997	0.7
71.08611	0.5
73.02902	1.5
79.05492	5.9
81.03416	7.7
81.07057	15.2
83.01361	1.2
83.08622	3.8
85.02901	9.4
87.00819	4.1
91.05474	3.8
93.07041	9.5
95.04943	0.7
95.08604	30.4
97.02898	4.1
97.06525	0.4
97.10162	1.3
99.04457	2.7
105.01846	2.5
105.07027	8.2
107.07875	0.9
107.08591	14.2
109.02885	6.3
109.06500	1.0
109.10157	21.1
111.11723	0.8
111.88635	0.4
115.03946	0.5
117.07053	0.9
119.08581	12.2
121.06553	0.5
121.10147	13.8
123.08039	0.6
123.11706	7.3
125.06028	2.2
127.03926	8.7
127.07553	42.0
128.07832	0.5
129.01805	0.9
131.08585	1.3
133.10135	13.6
135.11690	10.2
137.09634	0.6
137.13237	2.6
145.04970	2.0
145.10138	2.5
147.02890	0.6
147.11700	6.6
149.13260	5.1
151.14851	0.5
159.02924	4.4
159.11670	2.5
159.39369	0.4
161.13261	5.3
163.14793	4.4
165.09134	2.1
173.13307	2.0
175.14874	2.7
177.09213	0.6
177.16423	3.3
179.10791	0.9
181.12160	0.5
187.14885	1.4
189.16415	2.6
191.17950	1.0
201.16362	2.2
203.17952	4.1
205.19615	1.2
215.17941	1.3
217.19543	2.1
221.15421	1.2
229.19481	2.0
231.05055	1.0
231.21220	0.5
243.21034	1.0
259.95630	0.5
299.27408	4.4
317.25162	0.5
425.34149	11.9
426.34546	0.5
441.64020	0.5
443.35178	3.2
636.32245	0.5
647.41876	3.6
691.40466	100.0
692.40747	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	691.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61597	0.6
66.89625	0.7
67.05500	1.0
79.05489	0.9
81.03403	0.9
81.07043	1.8
85.02911	1.8
91.05452	1.1
93.07070	1.1
94.06590	0.9
95.04958	0.9
105.07050	1.4
107.07328	3.7
107.08566	1.4
108.08125	2.6
109.10147	0.9
119.04940	0.7
120.08118	0.8
122.06021	1.1
122.09668	10.0
133.10162	0.8
134.06029	0.8
135.06812	0.8
140.07062	1.1
145.10136	0.8
147.04433	1.0
150.09138	30.8
151.09433	0.7
154.39070	0.8
160.07607	0.8
162.77147	0.7
166.08740	0.7
198.20822	0.6
209.10751	1.7
211.08672	0.9
221.10944	0.9
223.12212	1.1
232.42085	0.7
235.08752	2.9
236.09482	3.9
237.10236	13.4
238.10944	1.0
239.11836	1.2
241.10019	0.7
247.08774	1.3
248.09502	2.0
249.10246	21.6
250.10956	4.1
251.08163	1.5
251.11780	4.9
252.09030	1.1
252.12579	0.9
253.09795	3.4
255.11288	0.9
261.10233	4.0
262.10986	0.9
263.08221	2.8
263.11923	2.3
264.08932	7.6
265.09744	14.8
265.12683	0.7
266.10406	1.7
267.11276	5.6
269.09286	0.9
276.08948	2.2
277.06723	0.9
277.09720	16.0
278.10522	7.8
279.08148	1.0
279.11230	11.8
280.11990	3.6
281.09277	3.1
281.12656	1.5
283.10730	0.8
289.09717	1.0
291.07919	1.0
291.11313	2.8
292.08401	1.2
292.12259	2.1
293.09241	31.4
293.12860	7.7
294.09875	3.1
294.13464	1.0
295.10791	3.5
297.12289	1.0
304.08401	1.5
305.09250	6.9
306.09946	2.7
307.10760	8.4
309.08777	3.0
309.12387	6.5
310.13153	1.1
311.10272	1.8
311.13846	1.4
312.10995	2.7
313.12323	0.7
319.10831	5.0
321.12372	2.1
323.10294	5.6
324.11060	2.2
325.11783	4.7
326.12698	1.0
327.13443	2.7
328.14362	2.2
333.08640	3.8
335.10248	1.6
337.11792	8.1
338.12766	1.9
339.13428	19.3
340.14313	1.0
341.11554	1.4
342.12350	1.2
343.13046	1.5
343.16934	0.7
347.10284	1.7
351.09732	16.3
351.13980	1.3
352.10379	1.2
352.14523	1.7
353.11285	1.6
353.15121	2.6
354.12201	1.8
355.13190	2.0
356.14056	3.0
357.14816	1.6
358.15430	1.6
365.11237	9.9
365.15442	0.8
366.11996	3.4
367.12878	0.9
367.67511	0.8
369.14725	1.5
370.11658	2.1
370.15680	1.5
371.12210	1.2
371.16531	1.3
372.12964	0.8
372.17026	1.9
374.18988	0.9
382.11646	3.9
382.15836	1.5
383.11993	6.1
384.13251	3.3
385.14084	4.8
386.14496	1.2
386.18906	1.5
397.13959	23.7
398.14850	4.6
399.15793	1.6
400.16571	4.0
402.18292	3.4
416.16040	1.9
426.14520	3.3
428.15979	2.1
430.17548	5.0
442.17856	1.9
444.15161	3.7
446.21048	3.9
454.13895	7.0
455.13821	0.8
459.17966	1.9
460.18835	2.3
461.19580	0.7
462.20316	6.0
472.15079	25.8
473.14984	1.2
474.20639	5.0
502.19666	6.0
503.20407	1.4
504.17380	7.5
506.22495	2.0
508.24478	7.3
520.20892	3.4
534.22363	100.0
535.23126	52.7
536.23517	2.5
552.23395	31.0
553.23920	1.8
591.22650	1.2
609.23401	6.2
623.25122	4.0
641.26038	23.7
642.26422	1.5
659.27075	5.1
691.29858	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	691.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01875	2.8
55.05519	3.1
65.03955	3.3
67.05499	10.5
69.03432	9.4
69.07056	6.4
70.06592	16.4
71.04987	3.5
71.52755	1.7
71.53151	3.3
72.08145	3.5
73.41811	1.6
77.03914	1.6
78.49300	1.4
79.05500	11.0
80.04995	2.4
81.03418	10.7
81.07063	9.7
82.06570	3.5
83.04990	4.7
83.08610	2.1
84.04517	2.3
84.08126	7.3
85.02911	7.9
85.06548	3.2
86.09712	2.9
91.05489	14.4
93.05782	4.7
93.07051	14.7
94.06568	12.7
95.04959	6.3
95.07339	6.3
95.08617	6.9
96.08132	13.2
97.02885	3.8
97.06528	4.2
97.37712	1.5
99.04463	3.8
99.08065	1.8
100.11226	2.0
103.05457	3.0
105.03389	5.8
105.07014	7.9
107.04922	2.4
107.08588	4.5
108.08120	28.9
109.02886	6.6
109.06515	3.1
109.10149	4.0
110.09674	19.6
111.04424	2.1
111.08066	2.0
112.07624	2.4
113.06023	1.7
116.07088	1.9
119.04961	9.1
119.08565	4.6
120.08110	20.3
121.02891	3.6
121.06503	4.2
121.10147	5.2
122.06036	10.2
122.09720	2.1
123.08125	1.8
123.11715	1.7
124.07584	5.8
125.81778	1.7
126.09103	1.6
127.03927	9.2
128.07053	2.6
129.07025	1.9
130.06570	1.7
131.08565	2.5
132.08073	2.7
133.06516	2.3
133.10156	2.1
135.08051	1.9
136.07582	47.6
137.05980	3.6
137.09650	1.9
138.09125	21.9
140.07079	5.7
141.09163	1.5
144.04446	3.2
145.02803	2.0
145.06526	1.6
145.10158	7.3
146.06003	3.8
147.04364	8.8
147.08014	1.7
147.11684	2.2
148.07558	6.4
151.03839	3.2
151.07536	3.3
152.07109	4.4
157.03891	1.5
157.10136	4.4
158.08105	3.0
159.07918	2.1
159.11714	3.8
161.09589	3.1
162.05496	3.5
162.09120	2.6
163.03854	2.0
163.11179	5.0
164.07092	6.4
165.01947	2.1
165.09105	1.8
166.08636	26.5
167.07072	3.5
171.67633	1.7
172.03938	16.0
172.07599	2.3
173.09650	2.4
174.09152	2.9
175.03903	8.9
176.06996	10.3
177.05582	2.7
177.07433	5.2
179.07060	2.8
186.07495	1.6
186.09227	2.0
187.11206	4.1
190.04889	1.8
191.10661	1.8
194.08206	2.3
198.09198	2.2
200.06992	2.1
201.08920	1.9
203.03291	2.5
204.06563	26.0
207.06526	18.5
208.06752	2.5
212.09230	4.1
214.08604	2.2
215.10738	4.6
223.08553	2.2
225.10269	4.0
229.09947	2.1
233.11598	2.4
235.08699	3.0
237.10190	5.8
239.11766	2.7
241.09796	2.6
243.11276	4.4
245.09128	5.9
247.08659	2.4
249.10185	7.5
251.08112	4.9
253.09648	8.2
259.10754	7.3
263.08212	6.8
264.08847	4.4
265.09781	16.2
266.10498	2.7
267.11304	4.8
269.09332	3.0
271.05988	11.0
271.10815	5.5
277.09702	8.3
278.10355	2.0
279.07645	1.9
279.11246	7.3
281.09171	5.3
283.10757	3.4
285.12378	2.6
287.05466	12.2
287.10184	7.7
288.11044	1.9
289.11938	3.0
291.07745	2.0
293.09097	4.1
295.10538	1.9
297.08743	7.7
299.10168	3.5
301.11859	5.1
305.09009	5.0
307.10748	7.4
311.10269	3.8
313.12003	2.4
314.12918	3.2
316.11035	2.1
316.14514	2.3
319.13004	8.2
321.08447	2.7
323.10153	4.8
324.11172	3.0
325.11902	4.4
326.12604	3.8
327.13785	2.4
328.10873	2.6
328.14453	2.9
330.12424	4.4
332.13675	2.7
333.08545	2.6
335.12466	13.7
340.14417	3.8
341.11450	2.5
342.12326	5.2
343.13089	2.7
344.13858	2.5
346.11911	5.5
353.12183	2.0
354.12332	3.2
355.13089	4.0
356.13940	7.6
357.10623	2.1
357.14487	27.4
358.15543	3.7
366.12372	2.9
367.13025	2.9
368.09781	2.8
368.13879	7.2
369.15018	3.4
370.11639	3.3
370.15683	3.9
370.21841	1.9
371.12469	5.8
372.13321	3.2
373.13824	2.2
374.11011	2.1
374.15176	4.4
380.13843	2.9
382.11752	5.0
383.12152	3.2
384.13388	5.7
384.97186	1.8
386.14932	4.7
387.15482	2.6
388.12756	2.0
396.13342	5.3
397.14133	4.0
398.15262	7.6
400.12811	6.7
400.17145	3.0
402.14511	4.8
408.13641	3.5
410.15002	3.6
414.14288	4.7
415.15265	4.1
416.15988	3.1
418.13834	2.6
420.15933	2.1
424.12927	4.1
426.14194	2.7
428.15869	5.5
432.15387	3.3
435.13864	2.5
440.15970	2.3
442.14014	5.5
443.14709	4.6
452.12225	3.5
456.15417	6.4
458.17184	21.9
460.15100	4.4
462.16711	2.3
474.16730	8.0
484.15027	17.0
490.15594	2.4
502.16113	86.0
503.16696	12.2
508.17081	23.1
520.17212	27.3
522.18896	10.7
534.18634	27.0
535.19080	5.3
536.20148	4.3
568.23108	4.7
586.23743	2.0
595.22156	2.3
605.23138	3.7
623.21375	3.1
627.24982	2.1
637.22467	1.8
641.22089	3.6
655.23938	100.0
656.24042	4.0
673.24658	9.1
673.36523	1.6
691.27057	6.8
691.38629	4.2
722.04987	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	690.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44173	0.5
50.85139	0.6
53.89524	0.6
55.05503	1.1
55.43965	0.6
57.07052	0.8
59.04976	0.8
59.78991	0.7
61.10022	0.6
65.03941	0.9
67.05501	3.3
67.34885	0.6
68.40567	0.6
69.07068	8.2
69.78078	4.2
71.04987	0.8
71.13970	0.7
72.53394	0.6
81.03461	0.6
81.07039	0.9
83.08588	0.7
85.06516	2.6
87.04384	0.8
91.04967	0.7
91.05463	3.4
93.06995	0.8
94.86125	0.8
95.04927	0.7
95.08579	0.9
104.48418	0.7
105.07009	1.3
107.08657	0.8
109.10123	0.6
110.06799	0.7
119.04925	1.4
121.10111	1.4
131.04907	2.7
147.04401	9.2
159.04391	6.4
159.27005	0.6
163.03903	2.2
173.06009	1.5
175.03903	100.0
176.04285	2.0
177.05515	4.0
177.91487	0.7
184.07314	1.4
187.03893	14.3
187.07542	1.5
189.05428	5.2
193.77905	0.7
199.03879	2.5
201.05449	4.9
203.03430	1.6
203.07065	1.8
205.05070	0.8
211.07599	0.8
212.83076	0.7
213.05501	2.5
215.07153	0.9
215.92038	0.6
217.08534	0.9
226.06241	2.9
229.08591	32.7
230.08926	0.9
231.10089	2.0
241.08585	7.0
243.10103	5.6
247.09647	76.3
248.10040	2.0
253.08588	1.1
255.10118	1.0
259.09662	3.0
265.10577	0.9
295.13281	2.4
313.14359	9.0
331.15375	5.5
453.37109	0.7
645.30676	1.3
678.38281	0.8
691.39703	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	691.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01859	0.8
55.05489	1.0
57.03431	0.5
59.59798	0.4
61.02915	0.4
65.03934	1.9
67.05491	1.5
69.03430	2.0
69.07055	1.2
69.34794	0.9
69.35204	3.0
70.06574	2.2
71.04978	0.6
72.08130	1.2
77.03919	0.9
79.05479	2.0
81.03419	2.9
81.07054	2.2
82.06564	0.4
83.04971	0.7
83.08599	0.9
84.08118	1.2
85.02910	1.9
85.06540	1.0
85.07645	0.5
86.06065	0.7
86.09698	0.9
89.03865	0.7
91.05481	23.7
93.07049	2.3
95.04948	1.9
95.08587	1.3
96.08107	0.5
97.02885	1.3
97.06519	1.0
97.10151	0.4
99.04446	1.0
100.11230	0.8
103.05447	1.0
105.03378	2.0
105.07034	1.8
107.04940	1.0
107.08587	1.7
108.08122	0.6
109.02865	1.1
109.06499	0.7
109.10145	1.2
110.09683	0.6
111.04420	0.7
117.03279	0.4
117.06998	0.6
118.04162	0.6
119.04940	33.4
119.08568	1.5
120.05251	0.7
120.08080	1.4
121.02838	0.9
121.06514	0.9
121.10146	1.2
122.03609	0.4
122.15672	0.4
123.04370	0.4
123.11722	0.5
126.09156	0.4
127.03916	2.1
128.07091	0.6
129.03331	0.4
129.06963	0.4
131.04910	0.5
131.08545	0.8
132.02026	1.4
133.02864	0.9
133.06462	0.6
133.10150	0.9
135.04398	1.3
135.08067	0.9
135.11723	0.8
136.05180	0.4
136.07574	1.3
137.05956	1.6
143.06874	0.4
145.02821	1.0
145.04930	0.4
145.10117	0.9
146.03589	1.0
146.15715	0.4
147.04407	28.1
147.11703	0.9
148.04796	0.6
148.07591	0.4
149.02347	1.5
149.06047	0.5
149.09613	0.4
149.13229	0.7
151.03923	0.7
151.07527	0.7
151.96645	0.4
157.03961	2.3
157.10107	0.7
159.11691	0.7
160.07497	0.4
161.05952	0.6
161.09738	0.4
162.09154	0.7
163.03986	0.5
164.04678	1.5
165.05571	0.4
165.09105	0.5
166.08617	0.8
167.07028	0.9
175.03906	47.9
176.04291	1.6
177.05489	2.0
179.07028	3.0
181.04932	0.4
187.11218	0.5
192.04150	1.6
193.04945	0.7
203.64642	0.4
204.06604	0.7
207.06522	100.0
208.06854	2.5
212.09401	0.5
215.10748	0.7
222.11380	0.9
271.06012	1.5
287.05487	1.0
287.10178	0.6
291.10696	0.4
301.11850	0.4
502.15979	0.6
508.16916	0.5
520.17029	0.6
534.19135	0.7
597.23541	0.5
659.22717	0.5
677.24127	0.4
690.99731	0.5
691.39124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.4
56.46703	0.9
57.07054	1.3
59.04990	1.3
65.03945	1.2
67.05510	5.8
69.07069	5.8
79.05484	1.9
81.03407	1.9
81.07037	2.5
82.55491	0.7
85.06551	3.0
86.56062	0.8
91.04976	0.7
91.05475	4.3
93.07059	2.8
95.04959	1.3
95.08575	2.4
105.07037	1.7
107.08588	0.9
109.10159	2.1
117.06961	1.4
119.04967	2.2
121.10139	1.5
128.06253	0.8
129.06990	1.5
131.04900	3.7
133.10133	1.0
145.06470	1.1
147.04428	9.6
159.04396	5.8
163.03912	3.4
173.05975	1.9
173.09625	1.1
175.03905	100.0
176.04274	2.6
177.05461	2.8
187.03894	12.1
187.07504	2.7
189.05464	4.1
199.03966	2.3
201.05502	3.7
201.09122	1.0
203.03389	1.2
203.06934	2.1
213.05412	1.3
215.06850	1.1
216.06548	1.3
217.08517	1.1
226.06258	2.3
229.08595	31.6
231.10146	1.7
241.08563	8.8
243.10178	6.1
245.08107	2.8
247.09665	78.8
248.10052	2.2
259.09607	3.0
295.13303	3.3
313.14294	11.5
314.14853	1.0
331.15433	7.2
611.10236	0.8
688.42468	0.9
690.42242	1.7
691.40161	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.6
69.60053	5.0
75.03554	0.7
76.96860	0.7
78.02824	0.7
81.03416	1.1
81.07072	2.0
89.06026	1.3
91.05486	1.0
93.07064	2.0
95.08651	0.9
98.20836	1.0
105.07021	1.1
107.08671	0.8
119.08599	1.2
120.32582	0.7
131.08556	1.0
184.07303	1.1
189.63683	0.7
261.92673	0.8
384.12268	2.3
385.13174	5.2
386.13956	2.0
397.13022	1.9
398.13760	6.5
399.14529	12.9
400.15460	18.3
401.16141	2.2
403.15115	1.0
411.14871	1.7
412.15411	7.3
413.16125	18.7
414.16986	10.8
416.14569	3.4
418.17581	2.5
424.16180	0.9
425.16486	2.0
426.17163	2.1
427.13141	2.0
427.18344	12.4
428.18692	14.4
429.19339	12.7
430.16431	1.3
440.14639	1.1
441.14868	6.0
442.16333	13.5
443.17044	0.9
444.13873	0.9
445.19144	1.2
446.17358	2.2
455.17197	34.2
456.17700	17.5
458.15860	3.6
459.16595	5.9
460.17145	0.9
469.15109	2.9
470.19412	1.7
471.16864	1.5
472.17548	2.2
473.18497	1.3
481.15198	2.5
482.15677	1.4
483.16638	31.0
484.16187	4.7
486.19009	1.7
487.16077	3.4
487.20981	1.7
488.16946	1.7
495.16724	2.8
496.17572	1.2
499.16223	7.8
500.16336	1.0
501.18134	0.9
509.18130	0.9
511.20099	3.9
513.13861	1.4
515.18848	1.0
516.19928	0.9
523.16364	2.8
527.15570	29.6
528.15948	9.6
537.17682	1.6
539.19220	11.4
542.20514	0.9
543.22406	16.8
544.22614	1.9
555.18634	1.6
571.21906	100.0
572.22327	9.8
574.24347	7.3
586.19916	1.2
587.21393	2.6
597.19971	1.1
601.22943	8.0
602.23761	38.7
603.23895	3.2
611.21008	1.1
613.23657	1.0
615.20813	2.6
617.26398	1.2
629.22418	32.6
630.22845	22.7
631.23029	1.6
633.25226	1.8
643.24243	1.1
657.21918	57.7
658.21991	6.3
661.25433	4.9
689.24640	17.3
690.24457	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96300	0.8
56.96560	9.9
57.03436	0.5
69.07090	0.5
69.22325	0.6
69.33145	4.6
70.06571	0.7
84.08139	0.7
84.96024	7.8
85.02888	1.3
97.02863	1.0
98.97574	48.6
102.97124	0.6
104.10765	0.6
110.97562	11.0
112.99139	3.0
116.98613	26.5
117.02266	0.9
119.01881	1.2
124.99122	1.8
127.03953	1.2
128.97682	1.1
128.98604	14.9
131.00180	3.9
134.99643	10.3
135.03305	1.1
140.00204	1.0
140.98561	4.1
143.00153	10.1
143.01875	0.9
144.10196	1.2
144.98117	2.1
145.01749	0.9
146.99629	9.8
147.04393	1.2
149.01199	2.5
152.98581	4.2
153.00755	0.7
155.00206	1.2
155.01901	1.3
156.98106	0.6
158.98300	0.9
158.99648	19.4
161.01222	9.4
161.02879	1.6
162.99112	2.4
165.00676	1.0
170.01331	0.6
170.99644	11.5
173.01266	5.0
173.02744	0.9
174.99149	0.6
177.00708	17.3
177.04214	1.0
178.50607	0.5
179.02235	1.4
182.01202	0.8
182.99625	7.5
185.01247	1.9
185.02893	0.9
189.00687	13.8
189.06044	0.7
191.02344	2.8
191.03821	0.9
194.99831	1.0
195.01758	2.1
201.00694	26.6
201.06033	0.8
203.02403	1.0
203.04004	0.8
205.03781	0.6
207.01767	1.7
212.02423	0.8
213.00665	2.5
213.04277	0.5
219.01759	32.2
221.05029	1.5
224.02231	0.9
231.01729	2.6
234.99617	0.5
237.02800	24.6
242.03322	1.7
243.01772	8.6
245.05099	1.7
255.03883	1.5
260.04611	0.8
261.02832	36.5
261.06439	7.7
273.02808	1.5
275.09851	0.8
279.03934	19.8
279.07513	65.0
280.07956	0.9
287.05618	0.7
289.02411	0.6
291.03854	6.1
297.05139	0.9
297.08487	13.3
301.11319	2.1
302.05466	2.1
302.09082	2.5
303.03845	4.6
303.07553	11.7
309.05154	0.9
319.12247	1.0
321.04907	16.0
321.08423	67.2
322.08981	1.2
323.10272	0.7
333.04877	4.3
333.08630	1.5
335.10037	7.6
339.09665	2.3
342.71060	0.6
344.10168	2.1
347.06424	1.5
351.06155	2.9
351.09668	0.8
363.09604	100.0
364.09793	2.6
365.07599	1.9
365.12769	1.8
368.08517	0.6
375.05359	1.1
375.09625	9.7
381.06934	2.1
381.11279	0.8
393.10641	6.4
399.08133	3.1
405.10623	0.8
423.11798	2.3
441.09024	1.2
447.11838	0.8
465.12787	6.5
525.14905	0.9
689.17719	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	686.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01875	1.2
55.05507	11.6
57.03441	13.0
57.07074	1.8
59.05001	3.7
61.02931	4.7
65.03939	2.2
67.05504	97.2
69.03442	1.5
69.07065	7.8
69.40375	4.5
69.40797	1.6
71.05000	3.7
73.02892	1.0
79.05492	17.5
81.03410	1.1
81.07055	36.1
83.08619	9.7
85.02911	3.3
85.06535	4.0
91.03951	1.5
91.05480	12.2
91.06020	0.9
93.07043	20.6
95.04955	1.3
95.08607	25.5
97.02885	2.8
97.10185	2.0
98.21557	1.5
99.08105	1.1
105.06371	1.2
105.07031	8.3
106.47575	0.7
107.08597	12.2
109.10155	80.1
111.08047	3.5
117.07032	2.2
119.08587	10.2
121.10135	10.0
121.78699	0.8
123.11714	3.3
125.09651	1.4
127.11156	0.9
131.08545	5.6
133.10153	5.2
135.11688	7.2
137.00125	0.8
137.09610	2.6
137.13306	1.2
145.10115	4.4
147.11690	2.5
149.13274	4.3
155.10706	3.7
159.11684	3.0
161.13254	2.0
163.14810	2.7
165.16296	0.8
170.20676	0.8
173.11766	26.3
173.13286	3.6
185.47926	0.8
187.14842	0.9
189.11295	0.8
192.52888	0.9
201.16373	0.8
210.73244	0.7
216.50224	0.7
227.12813	5.5
229.14343	100.0
230.14705	1.8
233.22534	0.9
243.20993	4.5
261.22150	16.7
288.29349	0.7
299.23532	0.8
317.24670	3.2
335.25797	73.1
336.26047	2.3
379.29523	0.8
388.15759	0.8
397.30606	1.6
415.32043	1.6
471.34702	1.4
489.35748	36.7
490.35925	2.2
507.36627	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	686.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02341	0.7
53.02574	0.8
53.03936	2.2
53.81895	0.8
55.01859	1.7
55.05508	12.5
57.03435	12.5
57.07064	1.6
59.04988	3.4
61.02925	4.9
63.73883	0.7
65.03935	2.4
66.74931	0.8
67.05505	100.0
69.03425	2.2
69.07063	8.5
69.42934	4.8
69.43336	1.5
70.15361	0.9
71.04993	4.4
73.02936	1.2
74.18842	0.7
79.05021	0.8
79.05493	21.4
81.07053	42.9
83.04962	1.0
83.08626	9.1
85.02909	4.6
85.06519	2.4
91.03937	1.8
91.05479	14.0
93.07043	27.3
95.04967	2.5
95.08609	30.1
97.02885	1.8
97.06550	1.2
97.10151	2.0
105.07019	7.7
107.08588	15.3
109.10156	72.1
111.08081	2.9
117.07011	2.7
119.08585	11.9
121.10141	11.2
123.11654	4.1
125.09615	1.3
131.08582	5.4
133.10124	5.0
135.11688	7.9
137.09605	3.2
137.13223	2.0
145.10121	4.2
147.11653	4.6
149.13252	4.0
155.10698	3.9
159.11707	3.1
161.13235	2.1
163.14798	2.2
172.08511	0.7
173.11758	18.2
173.13206	2.1
175.14827	0.7
177.16451	0.8
187.14743	1.5
189.11299	1.0
227.12781	3.6
229.14345	83.3
243.20995	3.8
261.22141	16.7
317.24661	2.9
335.25803	66.9
336.26062	1.0
351.27231	0.8
397.31171	1.1
470.10611	0.9
489.35739	60.1
490.36111	1.2
507.36813	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	685.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24191	0.7
55.05509	1.0
57.07066	1.1
67.05498	1.2
69.46521	1.5
69.46928	4.4
81.03411	0.8
81.07038	1.2
94.03944	1.3
94.19445	0.7
95.04990	0.8
107.54020	0.8
119.89637	0.8
147.85187	0.7
186.15634	0.8
189.12897	0.9
197.02141	1.9
198.02914	6.2
225.01544	0.9
227.03236	1.3
227.20047	1.3
230.01973	1.4
239.06740	1.1
248.09132	0.8
258.08551	1.0
267.16000	1.4
268.07062	6.9
269.07855	9.5
286.08105	1.6
305.23840	0.7
313.27466	1.8
337.14041	7.5
343.15201	1.8
353.13644	2.0
371.14658	57.6
372.15308	1.3
393.24533	0.9
412.79706	1.0
617.23499	7.0
685.29791	100.0
686.29810	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	685.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	0.6
67.05496	1.1
71.53481	0.8
78.40880	0.5
79.05496	0.9
81.07061	1.6
91.05457	0.7
93.07043	1.2
95.08608	1.4
116.72295	0.6
119.08617	0.7
131.08545	0.6
132.93115	0.6
135.20677	0.6
143.08643	0.6
158.01028	0.6
173.88274	0.5
175.03923	2.0
197.02133	0.9
198.02898	5.4
225.01625	1.8
225.05159	1.4
226.62790	0.6
227.03152	6.0
230.01952	1.7
240.03897	1.0
253.04713	1.4
268.07062	16.8
268.09909	1.0
269.07825	8.0
282.08661	0.6
301.20346	0.6
311.08884	30.5
312.09219	1.2
337.14188	1.9
353.13577	2.1
371.14709	12.6
441.18829	18.7
617.23468	13.2
618.24377	0.7
653.29279	0.9
685.29749	100.0
686.30060	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	685.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	0.5
63.82194	0.4
63.82804	0.4
67.05500	0.8
69.84220	1.4
69.84625	0.7
71.39309	0.4
79.05516	0.4
81.03417	0.7
81.07049	0.5
93.07046	0.7
111.04195	1.4
121.10172	0.5
137.31244	0.4
175.03879	0.5
188.04414	3.1
198.02876	3.6
199.03748	0.6
200.86432	0.4
214.02351	3.4
227.03157	8.5
227.05217	0.7
230.01971	0.9
243.02608	0.5
257.07822	4.4
258.08411	0.6
259.09448	0.5
268.07117	1.7
269.07880	0.9
286.08105	4.3
287.08908	11.4
288.09247	0.5
302.07681	0.8
313.27402	1.0
321.11057	1.2
335.12714	1.1
337.14087	5.8
353.13586	25.8
354.14075	0.7
355.15155	20.6
356.15909	0.7
480.55597	0.4
505.38641	0.4
513.15222	0.7
524.18201	0.5
527.16650	3.4
528.17896	1.4
557.17902	3.8
560.16412	4.6
598.21692	0.5
616.22736	10.5
617.23608	5.1
685.29785	100.0
686.30127	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	684.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01868	2.2
55.05505	7.7
57.03441	3.1
57.07065	2.8
67.05181	1.8
67.05499	10.3
69.03422	3.1
69.07065	9.6
69.07384	2.0
70.06570	3.9
71.05016	2.3
71.52714	3.0
72.08132	2.4
79.05469	13.3
81.03403	6.4
81.07059	16.5
83.08611	7.9
85.02882	7.0
85.06545	4.4
91.05435	9.1
93.07037	18.5
95.04941	3.5
95.08601	20.6
97.02852	2.4
97.06515	3.4
97.10160	4.2
99.04472	10.1
99.08089	5.0
105.07027	16.9
107.08589	51.0
108.65492	2.0
109.06492	3.9
109.10152	29.6
111.08080	13.1
113.09641	5.3
115.89416	1.9
117.06990	4.7
119.04912	3.7
119.08573	33.8
121.06519	4.8
121.10139	26.4
123.08076	4.4
123.11696	13.6
123.67921	2.3
125.09634	20.5
127.03923	2.7
129.09457	1.9
131.08578	6.5
133.06538	2.8
133.10133	43.9
135.08061	5.6
135.11693	11.7
137.09639	4.4
137.13292	10.3
139.07544	3.7
139.11171	4.1
141.09111	2.4
143.08546	4.8
145.10110	12.5
147.07994	3.5
147.11681	35.4
148.64995	1.9
149.09605	8.7
149.13261	8.3
151.07536	3.5
151.11188	7.3
153.09084	22.6
155.10681	13.4
157.10138	7.7
157.12239	5.0
159.08014	2.2
159.11674	13.9
161.09607	2.4
161.13264	10.9
163.11180	8.8
163.14854	5.7
165.09106	15.4
165.12750	7.6
167.10663	3.4
169.10110	2.5
169.12225	2.3
171.11681	6.2
173.09586	2.1
173.13258	11.8
175.03851	3.2
175.11169	16.4
175.14816	8.4
177.09056	5.2
177.12807	6.4
179.10750	4.3
179.14262	4.8
181.12155	3.0
183.11662	2.3
185.09634	2.0
185.13246	6.0
186.05492	3.2
187.11305	2.7
187.14810	8.1
189.12720	4.7
189.16458	4.5
191.10645	2.5
191.14270	5.2
193.12228	6.1
193.15930	3.1
199.14738	3.2
201.16289	3.5
205.12311	2.2
205.15886	2.6
207.11925	2.5
207.13765	4.4
211.14835	2.1
213.16360	4.0
214.04970	4.1
215.14270	3.2
217.15924	4.1
221.15370	2.5
225.16403	3.8
227.17885	2.4
235.16972	3.2
237.16275	2.1
253.19656	2.9
267.21057	3.5
271.20581	5.4
285.22104	8.0
287.20020	2.2
299.23749	6.5
303.23181	7.3
309.22156	6.8
317.24777	8.5
327.23175	46.5
345.24234	100.0
346.24484	4.0
363.25290	52.9
423.32901	3.8
433.31140	2.5
451.31982	6.9
469.33081	32.6
487.34119	54.6
488.34000	3.3
505.35275	19.2
692.06580	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	684.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.3
55.05516	27.3
57.03424	5.1
57.07078	16.7
61.02930	23.2
67.05505	35.6
69.03406	3.0
69.07072	43.5
71.08623	10.6
71.53354	3.6
73.02918	10.3
79.05497	17.2
81.07056	49.6
81.76035	2.9
83.08623	30.5
85.02907	29.8
85.10166	5.7
91.03519	2.3
91.03973	25.9
91.05424	3.8
93.07037	21.4
95.08613	44.4
97.02888	16.7
97.06536	9.1
97.10172	25.2
101.05994	2.8
106.69799	2.5
107.04971	3.2
107.08588	17.7
109.10163	18.4
111.08047	4.3
111.11707	8.3
121.09340	3.7
121.10148	43.2
123.11687	7.6
127.03909	8.9
127.11218	2.5
135.11713	26.1
137.13251	8.9
139.11281	3.1
145.04938	11.3
149.13275	16.3
151.14819	6.1
163.06000	18.0
163.14836	5.7
177.16354	4.7
200.10689	4.4
233.22655	40.0
251.23721	100.0
269.24774	24.6
325.27368	99.8
326.28021	3.8
343.28476	69.1
344.28644	3.2
353.13589	7.1
354.13892	5.1
371.14844	3.9
473.71414	3.2
487.32764	6.1
684.28424	40.6
685.19226	20.8
685.29309	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	684.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.01872	0.5
55.05515	0.3
56.05024	0.3
56.89331	0.2
57.03428	0.8
60.04508	0.2
61.02923	0.6
67.05507	0.3
67.50371	0.2
68.99792	0.9
69.03432	4.7
69.07069	2.3
70.06592	1.7
71.01360	0.2
71.04990	0.9
72.08157	0.3
73.02915	0.7
77.43692	0.2
79.05507	0.6
81.03422	6.3
81.07070	0.6
83.04972	0.4
84.04489	0.3
84.08151	0.4
85.02908	6.9
85.06531	0.2
86.09706	0.5
87.00830	2.0
87.04469	0.4
91.03944	0.3
91.05457	0.5
93.03336	0.2
93.07058	1.1
95.04978	0.5
95.08582	0.3
97.02895	3.8
97.06519	0.3
99.00738	0.2
99.04457	2.0
104.04960	0.2
105.01873	1.0
105.07030	0.4
107.04965	0.5
107.08601	1.3
109.02123	0.4
109.02883	8.7
110.07141	0.2
111.04436	0.6
115.03906	0.3
119.04952	0.2
119.08628	0.3
120.08115	0.3
121.02849	0.3
122.56538	0.2
123.04436	0.4
124.03954	0.3
125.02367	0.3
127.03918	11.3
128.07117	0.2
129.01846	0.9
129.10204	0.2
131.08548	0.3
132.04451	4.7
135.11670	0.6
137.05969	0.3
141.01793	1.2
145.02975	0.2
145.04959	2.3
147.02838	0.3
147.04425	0.3
147.08046	0.3
159.02847	1.3
159.08047	0.2
160.03783	0.4
161.04659	0.2
162.05515	0.2
167.07024	0.4
167.10478	0.2
175.04004	0.4
177.05403	0.2
178.04997	50.1
179.05354	0.8
179.06987	0.2
181.04765	0.2
195.02878	0.3
206.04488	100.0
206.66133	0.3
207.04825	1.5
207.06557	0.7
213.03972	1.6
217.04886	0.4
231.04968	1.7
235.05959	0.5
247.09570	0.2
249.06026	0.3
265.10733	0.2
273.06125	0.4
285.05862	0.2
287.05423	0.3
288.05679	0.2
303.07037	0.2
321.06125	0.4
333.03043	0.2
339.07196	1.3
344.09515	0.2
357.08179	1.5
368.09747	1.7
375.09317	0.8
436.08768	1.9
454.09842	0.6
496.10858	2.6
525.28326	0.2
562.11877	1.7
580.12933	5.7
598.14093	5.7
599.14417	0.3
616.15070	5.5
617.15173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01864	1.2
55.05511	1.0
57.03428	0.8
61.02920	0.6
65.03931	0.5
66.21603	0.4
67.05502	2.7
69.03425	5.4
69.07077	2.3
70.06603	2.2
70.86871	0.9
71.04993	0.9
73.02905	0.9
77.03931	2.8
79.05493	2.5
81.02990	0.7
81.03416	7.0
81.07053	4.5
83.04953	1.1
84.08128	0.5
85.02441	0.5
85.02911	6.7
85.06528	0.4
86.09691	0.9
87.04449	0.5
91.01166	0.6
91.05472	3.2
93.07047	3.7
95.04992	2.2
95.08605	4.0
97.02895	3.9
99.04454	1.6
105.03393	2.0
105.07031	3.7
107.04957	2.9
107.08591	3.2
109.02882	4.6
109.06493	0.6
109.10146	4.6
115.05456	0.9
116.07083	0.6
117.06985	1.4
117.86766	0.5
119.04926	1.1
119.08568	2.2
121.02866	1.1
121.06524	2.4
121.10136	4.2
123.04445	1.0
123.08081	0.8
123.11694	1.9
127.03909	3.4
128.06230	0.9
129.06999	0.8
129.10263	0.5
131.04930	1.1
131.08554	1.9
133.02852	25.8
133.06425	2.3
133.10104	1.7
135.03412	0.8
135.04408	10.8
135.07999	0.8
135.11740	0.6
137.05986	0.8
141.06985	1.0
143.04869	0.5
143.08548	2.0
144.05737	0.9
145.02747	0.6
145.04971	0.8
145.06473	4.0
145.10107	1.3
146.07214	0.6
147.04414	6.1
147.08067	3.5
147.11630	0.6
149.05986	2.2
151.02748	0.9
151.03900	12.1
151.07506	0.6
157.06503	4.8
157.10150	1.3
158.07213	0.5
159.04333	0.5
159.08028	4.3
161.05974	2.0
161.09586	1.2
163.07529	0.9
163.11125	0.6
165.05550	0.7
167.07065	1.3
167.08563	0.8
169.10155	0.6
171.08043	11.6
172.08763	0.5
173.05925	1.4
173.09621	4.3
175.03902	1.4
175.07529	2.0
177.05415	1.4
179.07086	0.9
179.08553	0.7
183.08005	1.2
184.08777	0.8
185.05934	1.5
185.09602	6.6
187.07529	2.9
189.05569	0.5
189.09091	1.2
191.07082	0.6
195.08087	0.8
197.09566	0.8
198.10313	0.6
199.07535	4.3
199.11148	1.0
201.09102	0.7
207.06543	2.0
209.09604	0.5
211.07535	0.6
211.11124	2.4
212.11920	1.1
213.09178	4.6
213.12700	8.5
215.10638	1.2
217.08479	0.7
225.12814	0.5
227.10780	0.5
227.14267	2.7
229.08580	0.6
237.12775	2.0
241.12151	0.9
246.11243	0.5
253.12428	1.2
255.13800	100.0
256.14145	2.0
267.13815	0.7
271.06073	0.9
273.14822	9.3
277.06900	0.4
279.13834	0.7
287.05347	0.6
297.14981	0.6
303.04950	2.6
363.15762	0.9
381.16852	0.9
399.18039	7.5
417.19098	10.7
521.22485	0.7
579.24170	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	683.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77982	0.7
67.05498	1.3
69.07073	0.9
69.42588	6.0
81.07075	1.8
93.07043	0.9
95.08598	0.8
111.08123	0.8
119.08526	0.7
134.20282	0.6
136.06223	4.9
175.03938	1.2
284.04456	5.6
330.19232	1.0
341.11578	1.4
346.03372	0.8
353.11490	3.6
369.10971	19.7
614.19397	2.4
615.19965	8.9
682.45721	1.5
683.26178	100.0
684.26141	4.6
710.11865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03938	1.3
55.01860	1.8
55.05503	1.6
57.03426	1.7
61.02914	1.3
67.05502	4.3
69.03429	7.9
69.07067	4.1
69.36221	1.6
69.36650	2.1
70.06583	1.2
71.01357	0.7
71.04977	1.5
73.02909	1.1
77.03930	3.9
78.18607	0.4
79.05061	0.5
79.05489	4.2
81.03413	8.0
81.07061	6.9
83.04972	1.3
83.08628	0.7
84.08121	0.5
85.02905	7.5
87.04449	0.9
91.05480	6.4
93.07040	3.5
95.04993	3.2
95.08589	3.9
97.02898	4.4
97.06508	1.4
99.04450	1.5
101.56428	0.4
103.03870	0.5
103.05463	1.4
105.03388	3.0
105.07015	4.7
107.04962	3.7
107.08625	3.3
108.00400	0.4
109.02886	3.3
109.06510	0.8
109.10156	5.2
111.04394	0.7
115.05440	0.7
117.07015	2.0
119.04930	3.1
119.08578	2.5
121.02869	1.5
121.06525	2.5
121.10141	4.3
123.04408	1.2
123.08002	0.8
123.11721	2.4
125.06026	0.6
127.03902	4.1
128.06236	2.0
128.07057	0.7
129.06999	1.5
131.04933	1.7
131.08568	2.8
133.02852	29.6
133.06487	5.6
133.10129	1.8
134.03589	0.7
135.04422	10.8
135.05424	1.1
135.08092	0.9
135.11697	0.9
137.05966	1.1
141.06964	0.7
142.07808	0.8
143.08601	2.0
144.05675	2.7
145.02829	0.7
145.04886	1.0
145.06488	7.0
145.10104	1.9
147.04410	8.8
147.08037	5.6
147.11716	0.6
148.04802	0.6
149.05969	3.0
149.09602	0.6
151.03909	17.7
151.07516	0.8
153.06937	0.5
155.08554	1.0
157.06500	4.4
157.10118	1.2
159.04401	0.7
159.08055	6.1
159.11650	0.7
161.05983	2.3
161.09628	2.6
163.07411	0.6
165.05464	1.1
165.06882	0.6
167.07074	1.1
167.08536	0.9
169.06450	1.0
169.10007	0.5
170.07269	0.6
171.08067	11.3
171.11664	0.6
172.08749	0.5
173.05959	4.1
173.09631	10.7
175.03935	4.2
175.07542	4.7
176.04472	0.8
177.05438	0.6
179.07076	0.8
179.08484	0.6
183.08037	1.9
185.06024	1.3
185.09612	8.0
187.07527	7.0
187.11205	1.2
189.05405	0.5
189.09077	3.3
190.06245	0.7
191.06990	1.1
193.10153	1.0
195.02876	0.6
195.06467	0.5
195.08018	2.0
196.08752	0.5
197.09680	1.6
197.39207	0.5
198.10396	0.7
199.07542	9.9
199.11243	0.8
201.09050	1.2
205.08632	1.1
207.06532	6.3
208.06961	0.5
209.09665	0.7
210.10240	0.4
211.07497	0.5
211.11188	2.6
212.11978	1.0
213.09103	8.9
213.12685	4.0
215.10660	5.7
217.08604	1.9
222.10393	0.9
225.09134	0.8
225.12833	0.6
227.10669	0.7
227.14323	2.8
231.10349	0.7
237.12692	2.1
241.12320	1.4
253.12302	0.7
255.13800	100.0
256.14279	2.5
263.84863	0.4
267.13757	1.4
271.13159	0.7
273.14890	4.2
275.12750	0.8
277.07047	0.9
279.13849	1.0
285.14590	0.5
287.05563	0.7
292.65564	0.5
295.13300	0.7
297.14850	2.8
303.05051	0.4
315.15933	0.6
318.19818	0.4
335.16327	0.5
339.16110	0.5
363.15912	2.3
375.14288	0.4
381.16971	3.2
399.18106	9.7
411.49115	0.5
417.19199	8.0
435.73792	0.5
543.22192	0.6
579.24219	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.1
71.13776	2.3
83.08628	1.0
110.23707	1.2
159.05209	1.3
167.61166	1.4
175.51976	1.0
193.66212	1.0
284.04526	2.6
284.91757	1.1
353.11508	4.8
369.10986	14.1
543.14209	2.5
614.19049	9.6
615.19739	9.3
646.18188	2.3
683.26123	100.0
684.26416	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	683.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41220	0.1
51.64706	0.1
53.03936	0.4
55.01870	0.2
55.05493	0.5
57.03426	0.2
61.02909	0.2
65.03941	0.2
66.93166	0.1
67.01853	0.5
67.05492	0.6
68.99471	0.1
68.99803	0.5
69.03430	1.3
69.07061	0.4
70.06572	0.5
71.04996	0.3
71.53629	0.3
72.08154	0.1
73.43913	0.1
79.05485	0.6
81.03432	0.8
81.07062	0.7
81.07467	0.1
83.04971	1.1
83.08604	0.2
83.54444	0.1
84.08138	0.2
85.02905	1.3
85.06498	0.2
86.06079	0.4
86.09718	0.3
88.84915	0.1
91.05476	1.4
93.07059	0.7
95.04987	0.7
95.08592	0.6
97.02871	0.4
97.06486	0.2
99.04462	0.2
103.05458	0.2
105.03390	4.4
105.04475	0.3
105.07036	0.7
107.04945	0.4
107.08602	0.8
109.02876	0.6
109.06489	0.3
109.10135	0.6
110.48627	0.1
111.04444	0.7
119.04945	2.3
119.08574	0.6
121.02868	0.9
121.06489	0.3
121.10165	0.5
123.04358	0.3
123.08070	0.3
123.11736	0.2
125.09691	0.2
127.03961	0.8
129.01929	0.1
129.05469	0.4
129.07002	0.2
131.04930	0.2
131.08546	0.4
133.02855	0.1
133.10107	0.5
135.11653	0.2
136.06226	0.7
136.07269	0.1
137.05986	0.3
143.08574	0.2
145.02815	0.7
145.04884	0.2
145.10098	0.3
147.04422	0.3
147.08148	0.2
147.11632	0.3
149.09605	0.3
151.03903	0.3
153.01836	4.6
153.05392	0.2
156.09372	0.1
157.10120	0.3
159.08005	0.1
159.11685	0.4
161.09576	0.2
163.03914	0.6
163.11165	0.2
167.03406	0.2
167.07022	0.8
168.07353	0.3
169.10158	0.2
171.02908	0.9
171.08090	0.1
173.05826	0.2
173.13214	0.2
175.03896	0.3
175.07664	0.1
175.14790	0.3
181.04874	0.2
186.07440	0.2
187.03853	0.2
187.82542	0.1
191.07111	0.2
191.14360	0.2
193.04974	0.2
203.06934	0.3
207.06429	0.6
223.14929	0.2
225.05426	0.4
229.04907	0.4
247.06023	0.1
251.09093	1.2
252.72031	0.2
255.13675	0.2
263.12790	0.2
271.06009	100.0
272.06329	1.9
273.14792	0.4
281.84091	0.2
283.06018	0.3
313.07068	0.2
381.09586	0.3
433.11356	1.0
502.55643	0.2
683.35022	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	682.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.05502	2.4
58.60713	0.7
67.05492	3.3
69.03408	1.2
69.07072	4.3
79.05486	0.9
81.07042	2.6
83.04995	1.2
91.05486	1.7
92.04455	0.8
92.04992	1.8
92.79372	0.7
93.07026	1.7
94.56373	0.7
95.04943	1.3
95.08581	1.3
95.18110	0.8
102.65112	0.8
105.03394	9.8
105.07011	2.7
106.06581	1.3
109.10139	3.7
110.06062	1.4
110.10946	1.0
117.05766	1.3
118.06530	1.1
118.80029	0.8
119.08583	1.0
120.04458	14.1
121.10119	1.2
123.11743	0.9
130.06551	7.7
132.04459	6.9
133.10118	1.4
135.11694	1.0
136.06203	1.1
142.06532	1.3
143.07312	1.6
143.08482	0.9
144.08104	5.5
144.09065	0.9
145.10028	0.9
146.06026	8.6
154.06502	1.0
155.07350	1.0
156.08084	2.4
157.08914	2.0
158.06015	35.6
158.09625	4.1
158.10820	0.8
159.06589	0.8
160.07588	1.7
167.07294	7.4
168.08099	6.4
169.08780	1.2
170.05962	2.0
170.09650	3.6
172.07558	5.2
172.11191	3.8
180.08118	6.5
181.08871	34.1
181.10471	1.6
182.09653	34.2
182.22427	0.8
183.06786	5.1
183.10172	1.8
184.07597	7.2
184.11240	4.8
185.08275	0.9
186.05556	1.5
186.09140	5.4
193.08859	1.6
194.09685	8.1
195.10416	3.3
196.07571	10.9
196.11218	29.2
197.08362	6.2
197.11603	0.9
198.09164	14.2
200.10710	100.0
201.11026	2.8
204.08104	1.7
205.08817	1.4
206.09628	4.7
207.10344	2.2
207.19519	0.8
208.11250	9.3
210.09146	5.4
210.12767	1.9
211.09949	6.6
212.10716	6.3
212.14310	2.5
217.08727	1.4
218.09630	3.4
219.10498	4.0
220.11238	5.4
221.12016	2.4
222.09145	2.2
222.12747	5.0
223.13448	1.3
224.10722	7.9
224.14227	1.2
229.42999	1.0
230.11638	1.5
232.11197	3.2
233.12155	1.9
234.12784	3.9
235.13319	1.0
236.10620	1.3
236.14331	8.2
238.12318	1.1
238.15889	5.8
239.13036	2.6
246.12737	2.4
247.13354	1.0
248.14348	4.4
249.15067	1.4
250.15877	1.5
251.13142	1.5
252.13817	1.0
254.15408	59.3
255.09146	1.1
255.15707	2.6
256.09924	1.7
257.10681	1.4
258.12775	1.6
259.13495	1.5
260.14316	2.0
261.10236	4.0
262.15903	2.8
264.13751	1.0
266.15384	22.4
266.18219	1.4
268.13428	2.1
269.10696	1.4
271.08667	4.0
272.14163	1.2
273.10165	12.0
276.13593	1.4
282.11349	1.1
284.09326	1.4
284.16422	3.2
285.10233	5.5
287.11856	1.0
289.09711	41.8
290.10010	2.0
290.18967	4.6
294.14676	1.2
295.12411	1.6
297.10156	1.2
298.10980	1.3
299.11774	4.7
302.19025	4.9
304.20584	7.8
306.11536	1.0
307.12350	2.5
309.10156	0.9
309.13849	1.1
310.10928	1.9
311.11877	7.7
312.12531	2.5
313.13315	3.5
315.11246	1.6
319.12155	1.6
321.13867	3.7
323.11792	1.4
323.15308	2.1
325.13342	14.4
330.21799	0.9
332.12943	1.1
332.20105	1.4
333.13800	3.9
334.14590	1.9
335.15396	1.8
337.13437	2.5
339.14944	3.1
343.14288	1.8
347.15445	1.3
351.14877	6.4
353.13556	2.7
361.15726	1.5
365.16736	1.1
373.15906	1.0
381.19653	36.4
382.19897	2.0
391.18002	1.7
399.16727	27.2
400.17087	1.6
403.17728	0.9
409.18985	3.2
413.18579	3.6
421.18515	1.5
421.23166	1.9
425.32028	0.9
439.19934	2.6
443.24826	4.2
445.26343	1.2
461.25809	6.6
466.19473	1.1
484.19992	2.0
531.22699	1.1
531.30054	12.0
532.30945	3.8
533.31732	1.7
549.30847	2.4
554.24194	2.4
572.25317	1.2
576.30096	4.4
594.31110	10.9
646.34027	2.8
664.35205	12.8
682.35504	1.7
683.28235	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.05502	2.4
58.60713	0.7
67.05492	3.3
69.03408	1.2
69.07072	4.3
79.05486	0.9
81.07042	2.6
83.04995	1.2
91.05486	1.7
92.04455	0.8
92.04992	1.8
92.79372	0.7
93.07026	1.7
94.56373	0.7
95.04943	1.3
95.08581	1.3
95.18110	0.8
102.65112	0.8
105.03394	9.8
105.07011	2.7
106.06581	1.3
109.10139	3.7
110.06062	1.4
110.10946	1.0
117.05766	1.3
118.06530	1.1
118.80029	0.8
119.08583	1.0
120.04458	14.1
121.10119	1.2
123.11743	0.9
130.06551	7.7
132.04459	6.9
133.10118	1.4
135.11694	1.0
136.06203	1.1
142.06532	1.3
143.07312	1.6
143.08482	0.9
144.08104	5.5
144.09065	0.9
145.10028	0.9
146.06026	8.6
154.06502	1.0
155.07350	1.0
156.08084	2.4
157.08914	2.0
158.06015	35.6
158.09625	4.1
158.10820	0.8
159.06589	0.8
160.07588	1.7
167.07294	7.4
168.08099	6.4
169.08780	1.2
170.05962	2.0
170.09650	3.6
172.07558	5.2
172.11191	3.8
180.08118	6.5
181.08871	34.1
181.10471	1.6
182.09653	34.2
182.22427	0.8
183.06786	5.1
183.10172	1.8
184.07597	7.2
184.11240	4.8
185.08275	0.9
186.05556	1.5
186.09140	5.4
193.08859	1.6
194.09685	8.1
195.10416	3.3
196.07571	10.9
196.11218	29.2
197.08362	6.2
197.11603	0.9
198.09164	14.2
200.10710	100.0
201.11026	2.8
204.08104	1.7
205.08817	1.4
206.09628	4.7
207.10344	2.2
207.19519	0.8
208.11250	9.3
210.09146	5.4
210.12767	1.9
211.09949	6.6
212.10716	6.3
212.14310	2.5
217.08727	1.4
218.09630	3.4
219.10498	4.0
220.11238	5.4
221.12016	2.4
222.09145	2.2
222.12747	5.0
223.13448	1.3
224.10722	7.9
224.14227	1.2
229.42999	1.0
230.11638	1.5
232.11197	3.2
233.12155	1.9
234.12784	3.9
235.13319	1.0
236.10620	1.3
236.14331	8.2
238.12318	1.1
238.15889	5.8
239.13036	2.6
246.12737	2.4
247.13354	1.0
248.14348	4.4
249.15067	1.4
250.15877	1.5
251.13142	1.5
252.13817	1.0
254.15408	59.3
255.09146	1.1
255.15707	2.6
256.09924	1.7
257.10681	1.4
258.12775	1.6
259.13495	1.5
260.14316	2.0
261.10236	4.0
262.15903	2.8
264.13751	1.0
266.15384	22.4
266.18219	1.4
268.13428	2.1
269.10696	1.4
271.08667	4.0
272.14163	1.2
273.10165	12.0
276.13593	1.4
282.11349	1.1
284.09326	1.4
284.16422	3.2
285.10233	5.5
287.11856	1.0
289.09711	41.8
290.10010	2.0
290.18967	4.6
294.14676	1.2
295.12411	1.6
297.10156	1.2
298.10980	1.3
299.11774	4.7
302.19025	4.9
304.20584	7.8
306.11536	1.0
307.12350	2.5
309.10156	0.9
309.13849	1.1
310.10928	1.9
311.11877	7.7
312.12531	2.5
313.13315	3.5
315.11246	1.6
319.12155	1.6
321.13867	3.7
323.11792	1.4
323.15308	2.1
325.13342	14.4
330.21799	0.9
332.12943	1.1
332.20105	1.4
333.13800	3.9
334.14590	1.9
335.15396	1.8
337.13437	2.5
339.14944	3.1
343.14288	1.8
347.15445	1.3
351.14877	6.4
353.13556	2.7
361.15726	1.5
365.16736	1.1
373.15906	1.0
381.19653	36.4
382.19897	2.0
391.18002	1.7
399.16727	27.2
400.17087	1.6
403.17728	0.9
409.18985	3.2
413.18579	3.6
421.18515	1.5
421.23166	1.9
425.32028	0.9
439.19934	2.6
443.24826	4.2
445.26343	1.2
461.25809	6.6
466.19473	1.1
484.19992	2.0
531.22699	1.1
531.30054	12.0
532.30945	3.8
533.31732	1.7
549.30847	2.4
554.24194	2.4
572.25317	1.2
576.30096	4.4
594.31110	10.9
646.34027	2.8
664.35205	12.8
682.35504	1.7
683.28235	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94597	0.8
56.96577	0.9
57.07059	1.0
62.07208	0.7
65.03927	3.1
66.69586	0.8
67.05502	12.4
69.07084	1.1
69.26901	5.1
69.27319	3.4
85.06552	8.6
91.05477	3.2
109.10131	1.0
119.04941	2.0
125.48767	1.0
131.04921	2.5
145.06517	1.0
147.00732	0.9
147.04379	4.5
149.60522	1.0
159.04436	3.4
173.05925	0.8
175.03909	54.4
176.04265	2.1
177.05487	3.2
187.03926	9.2
188.01076	3.7
189.05464	2.7
190.02625	0.9
199.03940	2.1
201.05562	2.3
203.03409	12.8
203.07153	1.2
213.05405	1.0
215.03433	3.0
215.07034	1.1
216.04141	1.6
218.02095	24.0
226.06276	2.0
229.05106	1.1
229.08611	6.9
230.02063	2.4
231.02882	100.0
232.03448	2.7
233.04449	77.8
234.04874	1.7
241.08627	6.7
243.10147	4.3
247.09612	11.1
248.10056	1.4
255.10214	0.9
257.08078	1.5
259.09653	2.2
295.13330	2.3
299.09137	23.4
313.14297	7.1
314.14691	1.2
317.10187	48.3
318.10721	1.6
331.15421	6.9
437.99844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84605	0.4
53.03935	1.5
55.01866	1.7
56.33456	0.4
57.03422	1.3
60.04502	0.6
61.02921	1.2
64.02466	0.5
67.05495	1.2
68.99799	1.0
69.03428	7.8
70.06318	0.4
70.06594	4.0
71.04996	0.8
71.52894	0.5
72.08147	1.4
73.02909	1.1
77.38191	0.4
78.35730	0.4
79.05499	1.2
81.02982	0.7
81.03417	8.3
81.07047	0.6
82.63094	0.4
82.90707	0.4
83.01321	0.6
84.08134	1.3
85.02908	10.3
86.09702	1.0
87.00826	3.4
91.03959	0.5
91.05479	1.4
93.07063	0.7
95.04982	1.0
95.08586	0.6
97.02900	4.4
99.04444	2.3
101.56437	0.5
105.01885	2.0
105.03374	0.5
107.04957	1.2
107.08587	0.6
107.66271	0.4
109.02876	7.6
109.10159	0.5
110.07211	0.6
115.03881	0.4
117.01895	0.6
119.04919	2.6
119.08583	0.5
120.08111	0.6
121.02861	6.0
127.03927	8.7
128.07094	0.5
129.01802	0.7
129.10297	0.5
130.08603	0.6
133.02792	0.6
135.04433	0.4
136.07581	1.0
137.06013	0.6
141.01802	0.5
145.02892	1.3
145.04942	2.8
146.05992	0.5
147.02882	0.5
147.04411	1.5
149.02356	1.0
151.03877	0.6
153.01822	1.2
159.02901	3.0
159.04057	0.5
161.05995	0.7
162.05518	7.0
163.03917	1.5
163.05814	3.0
165.01828	3.5
166.08635	0.4
167.03416	2.6
173.05984	0.5
175.03941	0.9
177.01796	1.0
177.05531	0.8
180.08835	0.9
181.04884	0.8
183.02917	2.2
183.08128	0.6
187.03844	0.5
191.03442	0.8
192.06619	0.6
195.02950	2.0
207.06519	1.6
229.04941	0.8
231.04968	0.8
239.07118	1.1
253.11934	0.5
255.06496	0.6
267.06549	7.4
270.05243	2.5
271.06003	15.9
272.06418	0.5
279.06586	0.8
281.08087	4.9
283.06012	44.7
284.06760	9.8
285.07443	1.1
287.05383	1.0
294.05243	0.6
295.02588	0.5
295.06024	10.1
295.09302	0.9
296.06540	0.6
297.07541	1.5
305.08182	1.0
307.06003	1.5
308.06732	1.7
309.04095	0.9
309.07520	13.7
309.11121	0.7
311.05386	0.8
313.07053	100.0
314.07346	3.5
321.07590	1.6
323.05423	0.8
323.09085	7.1
325.07068	1.3
333.07544	1.7
337.07050	25.9
338.07449	0.7
349.07074	6.6
351.08536	1.7
361.07123	4.8
367.08124	13.0
368.08087	0.5
375.08875	0.5
379.08142	9.4
397.09229	10.6
398.09479	0.5
415.10193	20.0
416.10678	1.0
421.09079	0.7
433.11322	24.3
434.11673	1.0
519.10938	3.4
543.10596	0.6
561.12213	2.6
595.16815	0.8
681.16699	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57441	2.0
52.29475	2.0
53.03942	3.6
55.01871	3.8
56.05041	2.0
57.03427	5.6
61.02925	4.9
63.95697	1.9
65.03941	3.3
67.05495	3.1
68.99788	4.8
69.03426	6.9
70.06592	19.6
70.58763	2.1
70.59102	6.7
71.04990	4.6
72.08139	4.4
73.02913	4.7
79.05480	3.2
81.03405	10.5
81.07055	3.4
84.04485	1.9
84.08134	14.2
85.02905	32.6
85.06519	2.3
86.09699	6.5
87.00820	2.6
91.05495	5.3
93.03386	2.9
93.07046	3.7
95.04978	3.7
97.02883	4.9
97.06551	2.2
99.04448	4.6
103.03912	3.4
105.03359	4.5
105.07001	3.2
107.04945	5.4
107.08575	2.2
107.89026	1.8
108.08140	1.9
109.02857	10.6
111.04456	4.4
115.05536	2.1
116.07116	2.1
119.04953	9.9
120.08094	3.2
120.85979	1.8
121.02866	49.1
121.10215	1.9
127.03911	8.3
129.01828	2.1
129.10231	2.9
131.04951	2.4
135.04422	4.1
136.07549	4.8
136.63528	2.1
137.05907	2.8
140.71062	1.8
145.02817	7.1
146.93408	1.9
147.04414	7.3
151.03944	3.9
153.01808	3.8
159.04382	2.4
161.05913	2.0
162.05505	6.7
163.03926	4.3
167.07045	3.5
173.02386	2.3
175.03929	3.4
176.01079	3.0
177.01859	2.3
179.03374	3.0
181.04980	3.0
189.01820	11.0
191.03404	9.0
195.02873	4.9
201.01772	2.6
203.03311	9.9
204.04111	2.2
205.04874	2.9
207.02878	9.6
207.06525	2.8
213.05447	3.4
215.03452	4.7
217.04919	5.1
219.02876	9.5
221.04424	5.2
225.05533	2.3
227.03217	2.2
229.05022	7.4
233.04370	4.5
237.05615	2.2
239.03625	2.6
241.05109	2.2
245.04655	2.4
253.04884	2.8
255.02992	2.4
255.06482	2.5
257.04355	10.1
267.06549	3.1
268.07306	2.8
271.06018	45.7
271.13400	2.5
272.06403	3.4
279.06500	3.5
280.07266	2.9
281.04156	1.8
281.08102	8.8
283.06012	13.2
284.06580	5.9
285.04004	2.3
287.02545	3.4
287.05487	27.1
291.06503	3.4
293.08075	9.0
294.05176	30.0
294.08298	2.9
295.06000	48.7
295.09354	2.7
296.06723	6.8
297.07455	10.1
305.08267	2.4
307.06009	70.2
307.09552	4.2
308.06674	29.4
309.07462	22.4
309.10822	3.2
313.07074	17.1
317.08218	3.3
318.08832	2.5
319.06180	14.1
319.09439	3.9
320.06665	5.4
321.07535	40.0
322.08310	20.5
323.05539	2.5
323.09000	8.8
324.05829	2.1
325.07050	65.5
326.07294	4.1
329.07892	2.8
332.06830	2.7
333.07559	13.0
334.07980	2.3
335.05545	4.0
335.09164	20.4
336.06317	5.6
336.09915	3.0
337.07062	100.0
337.10519	4.2
338.07321	4.1
339.08594	5.8
345.07584	4.3
346.08652	3.4
347.05426	3.1
347.09201	33.7
349.07050	26.9
350.07654	3.6
351.08646	39.9
352.09280	2.3
353.07080	2.1
355.08105	36.5
357.07565	4.6
359.09204	2.2
361.07037	12.3
361.10892	3.7
363.08630	5.4
365.10211	34.9
366.10474	2.2
367.08127	7.0
373.07202	12.2
374.07709	4.2
375.08615	40.0
376.09024	2.7
379.08130	73.2
380.08453	6.9
385.06918	11.8
386.07391	2.3
389.10202	8.5
391.08054	30.8
393.09897	4.6
399.08743	4.0
403.08102	46.3
404.08188	2.6
405.09625	3.1
409.09213	9.0
417.09479	5.4
421.09137	62.9
427.08722	3.1
433.09766	4.6
439.10229	18.0
441.09512	4.3
445.09171	12.3
457.11307	35.5
459.10684	3.2
463.10229	11.3
469.09000	4.9
475.12317	24.8
481.11380	43.2
482.11160	2.2
487.10165	3.9
499.12415	23.9
505.11124	8.8
507.09320	7.0
519.11169	8.2
523.12384	48.0
524.12744	4.2
525.10260	65.7
526.10260	4.6
541.13336	5.6
543.11310	90.8
544.11572	4.7
549.10590	2.6
561.12018	6.7
583.14105	2.8
609.11957	8.0
627.13434	42.8
628.13312	4.1
631.23987	2.2
645.14655	14.8
663.15381	4.8
663.25836	3.5
681.25116	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	681.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
56.05030	1.7
57.03416	4.4
60.51647	1.3
61.02904	3.3
65.03919	2.3
67.05496	2.5
68.99772	4.2
69.03413	6.0
69.90164	7.1
70.06573	6.0
71.06915	1.9
72.08149	1.6
73.02904	2.4
74.06068	1.8
81.03401	7.0
84.08158	2.8
85.02901	18.7
86.09694	2.2
87.00813	5.8
88.17760	1.4
88.35050	1.4
89.06017	5.6
91.05466	3.6
93.03407	3.2
95.04946	1.8
97.02880	3.4
97.06530	1.6
98.97581	1.9
99.04450	2.0
103.03919	4.4
105.03358	3.2
107.04947	3.8
107.08607	1.5
109.02857	6.4
111.04440	2.9
119.04948	11.3
121.02855	50.3
121.06497	1.6
123.04423	1.9
127.03906	5.3
128.07060	2.3
129.01814	3.1
129.10301	1.8
131.04890	2.3
133.08565	4.7
145.02820	6.5
147.04344	3.4
151.03845	2.3
159.04393	2.9
160.07590	3.4
161.02293	1.7
161.05890	2.2
163.03915	5.2
165.01897	1.9
167.36940	1.6
168.79404	1.5
171.04456	1.7
175.03899	4.2
176.00963	2.6
177.01741	2.5
177.05450	3.0
179.03426	4.2
187.03841	3.7
189.01878	8.9
189.05368	3.6
190.02615	1.5
191.03384	10.7
194.02094	2.0
195.02853	7.0
197.04398	2.2
199.03896	2.2
201.01797	2.8
201.05411	3.2
203.03371	14.9
205.04933	2.4
207.02866	14.9
209.04359	1.8
211.39526	1.7
213.05363	2.0
215.03378	4.0
215.06900	1.8
217.05017	4.8
219.02905	11.1
219.06419	2.2
221.04437	5.1
227.03381	3.1
229.04922	6.8
231.02884	1.8
231.77231	1.6
233.04417	4.7
239.07196	1.5
241.05144	1.7
246.29860	1.5
247.06021	2.0
255.02899	3.1
257.04544	2.8
263.07083	1.7
267.06555	3.2
268.07245	6.2
269.07986	2.2
271.03149	1.3
271.05878	8.9
273.03650	1.7
273.09305	1.4
279.06506	7.6
280.07080	1.8
281.07996	9.5
283.05994	11.0
284.06491	2.9
285.03815	3.0
287.05450	4.0
288.05762	3.6
289.05963	1.7
291.06628	3.4
292.07071	2.2
293.07990	5.4
294.05222	32.4
295.05981	63.6
295.09369	3.5
296.06659	9.3
297.07565	13.0
305.08240	2.4
307.05972	65.7
308.06741	20.7
309.04144	3.5
309.07553	23.2
313.07007	8.6
317.07867	1.9
319.06070	10.9
319.09460	2.4
320.06735	5.7
321.07574	35.8
322.08264	15.8
323.05316	4.1
323.09061	6.7
325.07040	100.0
326.07355	3.8
331.09735	1.9
333.07599	12.0
335.05478	2.5
335.09091	21.2
336.06256	2.8
336.09915	2.2
337.07047	93.0
337.10440	3.2
338.07300	3.0
345.07465	3.6
346.08298	2.0
347.09161	17.4
349.07031	35.8
350.07410	2.6
351.04483	2.4
351.08603	31.2
352.09143	1.8
355.08099	42.4
357.07309	2.6
361.07062	17.6
361.10901	1.7
363.08636	10.9
365.06470	2.6
365.10233	14.0
367.08002	6.1
373.07080	7.1
374.07794	2.5
375.08594	18.9
377.06363	2.4
379.08093	71.3
385.07080	5.1
387.08475	2.4
389.10107	4.6
391.08078	35.3
393.09518	2.1
399.08463	2.9
403.08078	30.6
409.09186	39.5
415.09500	3.2
415.25616	1.7
416.25134	2.3
417.09604	2.6
421.09180	30.4
422.09528	1.5
427.08624	1.9
433.09286	3.6
439.10233	32.1
441.08469	3.7
445.08978	6.4
451.10324	4.3
457.11276	81.1
458.11563	2.6
463.10175	4.6
469.10913	3.4
475.11932	2.8
481.11096	8.1
487.10223	3.7
495.08987	11.2
499.12265	6.4
505.11078	4.7
513.10291	34.8
519.11108	2.3
523.12268	10.8
524.00677	1.8
525.10272	7.2
531.10907	4.5
543.11377	31.6
547.11914	3.1
549.10309	2.0
561.12396	18.7
565.13055	5.0
567.11304	18.0
579.10889	2.9
583.14087	3.6
585.12170	17.8
591.11047	5.0
597.12476	14.3
609.12311	14.7
615.13239	5.0
627.13434	17.3
645.14563	17.4
663.14996	6.3
663.25555	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	681.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01862	1.9
55.05492	0.5
56.05058	0.5
57.03419	1.6
60.04522	0.7
60.21460	0.5
60.57386	0.5
61.02905	0.7
66.83978	0.5
67.05499	0.9
68.99786	1.2
69.03091	0.6
69.03429	8.8
69.07053	0.5
70.06595	5.5
71.04990	1.6
71.52859	0.8
72.08147	2.3
73.02898	1.4
79.05456	1.0
81.03420	9.1
81.07052	0.7
83.04955	0.6
84.04493	0.8
84.08136	2.1
85.02907	12.2
86.09679	1.6
87.00837	4.1
87.04495	0.8
87.44936	0.5
91.05481	1.1
93.07030	1.1
95.04955	1.0
95.08620	0.7
95.90085	0.5
97.02890	5.3
97.06519	0.6
99.04472	3.3
99.34632	0.5
99.67285	0.6
100.43984	0.5
103.03923	0.7
105.01861	1.7
105.03428	0.8
105.07005	1.2
107.08583	0.6
108.48923	0.5
109.02880	6.9
109.10114	0.6
110.05999	0.7
110.07159	0.8
111.04447	0.6
116.07068	0.6
117.01852	0.6
119.04955	2.6
120.08118	1.5
121.02883	5.6
121.10195	0.8
127.03908	10.0
128.07037	0.6
129.01775	1.0
129.10240	1.5
133.02826	0.5
133.06470	0.5
135.04422	0.5
136.07582	0.9
137.06032	0.6
141.01805	0.6
145.02846	2.0
145.04982	3.2
147.04414	1.4
149.02332	1.4
151.03905	0.6
153.01855	0.6
159.02893	2.0
159.04349	0.6
162.05508	7.7
163.03915	1.6
163.05832	3.9
164.07018	1.0
165.01836	3.5
167.03366	2.7
167.07011	0.6
171.02872	0.7
171.08080	0.6
175.03915	1.8
177.01897	1.2
181.04904	0.8
183.02911	2.2
187.03865	0.8
191.03397	0.9
193.04924	0.7
195.02879	2.0
207.06509	2.0
229.05031	1.2
231.04782	1.0
239.06944	1.0
253.12170	0.8
256.07260	1.0
259.06158	0.5
261.04053	0.6
267.06546	7.1
270.05142	2.7
271.06018	24.7
271.13550	0.7
272.06357	1.0
281.08118	4.5
283.05997	47.7
284.06775	9.2
285.07541	1.0
287.05460	2.0
294.67310	0.5
295.06018	10.5
295.09433	1.2
297.04376	0.6
297.07678	1.7
305.07977	1.0
306.73459	0.6
307.06094	2.3
308.06607	0.9
309.04181	0.8
309.07544	14.9
311.05478	0.8
313.07053	100.0
314.07321	3.2
314.10382	0.5
321.07471	2.8
322.08218	0.6
323.09119	7.1
325.07117	2.0
333.07446	1.7
335.05554	0.7
335.09348	1.0
337.07050	28.4
338.07535	1.0
343.12811	0.7
344.57733	0.5
349.07101	6.6
350.07599	0.8
351.08603	1.9
361.06967	4.4
365.10764	0.7
367.08087	11.8
368.08575	0.7
379.08133	10.3
397.09232	10.7
415.10239	20.9
421.08948	0.9
433.11331	23.7
457.11331	1.2
483.08691	0.6
512.19983	0.6
519.11108	4.3
561.12244	2.3
663.15637	0.6
663.26318	0.8
681.16284	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	680.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86805	4.9
53.03933	9.7
55.01859	8.9
55.05511	43.7
57.03431	19.3
57.07055	5.7
65.41356	4.6
67.05505	100.0
67.05841	8.5
69.07076	52.1
70.78117	9.6
70.78456	9.7
71.04993	12.3
79.05491	67.6
81.03410	11.1
81.07055	90.0
83.04980	12.6
83.08614	25.2
85.06560	6.7
91.05478	54.3
93.07051	89.5
94.43085	5.2
95.04948	9.0
95.08608	84.2
97.06531	10.5
97.10178	15.6
105.07043	45.9
107.08587	61.4
109.06501	9.4
109.10156	47.5
111.08121	6.7
117.07039	15.9
119.08581	31.6
121.10148	33.1
123.08045	6.7
123.11690	11.3
125.09624	12.4
129.07056	7.9
131.08586	22.8
133.10086	25.2
135.11705	23.0
139.11192	9.9
145.10139	19.2
147.11699	11.5
149.09644	9.3
149.13274	9.8
159.11711	16.0
161.13220	9.1
163.11195	4.8
171.11723	16.5
173.13295	13.1
175.03891	7.3
181.85869	5.2
182.31964	5.0
187.14836	9.1
189.11226	7.4
213.14755	8.0
221.15158	6.0
229.14247	7.6
243.20947	6.5
261.22137	5.8
275.20078	38.6
279.23068	8.3
293.21140	5.6
349.23608	6.7
353.26743	27.1
680.50281	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	679.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.8
57.07062	3.0
58.38821	1.0
65.03932	3.1
67.05499	12.7
69.03414	2.1
69.07063	7.6
70.06571	1.7
71.04972	2.2
72.08164	1.3
79.05489	2.4
80.72698	1.0
81.03416	1.3
81.07038	3.1
85.02910	3.1
85.06537	7.9
89.03194	1.2
91.05482	8.1
93.07011	3.2
95.04969	1.5
95.08599	3.3
98.20721	2.3
99.41891	1.1
105.07024	4.7
107.08570	2.2
108.27273	1.2
109.10155	2.1
115.05431	2.0
115.30906	1.1
117.07023	1.4
119.04936	3.9
119.08533	2.6
120.08089	1.7
121.02826	1.7
121.06464	1.8
121.10143	3.3
122.09663	6.2
127.03913	2.2
128.06265	1.2
129.07021	1.4
131.04898	5.0
131.08554	1.6
133.10150	2.4
135.11713	1.2
136.07687	1.1
141.06950	1.5
147.04369	12.0
150.09097	1.5
155.08582	1.5
157.06406	1.4
159.04408	8.6
161.06006	2.0
163.03902	4.9
163.33398	1.1
173.05942	3.6
173.09637	1.5
175.03905	100.0
176.04369	1.8
177.05476	7.8
185.06013	2.1
187.03903	30.3
187.07368	2.3
189.05478	8.5
192.09245	1.2
199.03899	8.1
201.05447	7.2
201.09122	1.2
203.03416	5.8
203.07021	3.9
207.06499	2.4
212.04712	1.8
213.05487	6.7
213.08984	2.1
213.76700	1.1
215.07054	4.0
217.04982	1.9
217.08595	3.5
226.06224	9.2
227.07011	2.5
228.07808	2.8
229.08571	26.9
230.09251	1.4
231.10165	8.5
239.06987	1.3
241.08562	28.2
243.10172	24.6
245.08084	4.5
247.09654	58.6
253.08595	2.7
255.10178	3.8
257.08102	2.1
259.09717	7.0
271.09659	1.9
271.13251	1.1
285.07516	2.6
287.05637	1.9
295.13336	9.8
313.14301	34.4
331.15390	31.1
351.08591	1.1
439.98605	1.2
490.19388	2.1
547.43298	1.2
566.96252	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00150	0.6
52.87086	0.5
53.41301	0.5
55.05507	4.3
55.83263	0.6
57.07079	3.0
59.04996	0.9
63.41805	0.5
65.03920	2.3
67.05178	0.8
67.05504	10.7
67.71358	0.5
69.07063	5.3
71.04992	0.8
79.05473	1.9
81.07034	1.4
83.01335	0.6
85.06546	8.5
85.29790	0.6
86.06857	0.5
91.05473	7.2
93.07050	0.7
95.08594	1.3
98.20729	1.7
103.05443	0.8
105.07020	1.5
107.08554	0.8
109.10144	1.7
115.05419	1.4
117.07034	0.6
119.04922	3.8
121.10120	1.4
128.06215	0.8
129.06970	0.6
131.04935	6.4
133.06451	0.8
143.04984	1.0
143.08629	0.5
145.10165	0.6
147.04414	13.5
147.07922	0.6
155.08586	1.2
157.06558	0.6
157.10175	0.6
159.04407	8.4
159.08028	0.6
161.02272	0.7
161.05956	1.1
163.03925	4.8
165.07088	0.7
167.08537	0.8
169.10359	0.5
171.04396	2.3
173.05954	2.0
174.32719	0.6
175.03909	100.0
176.04405	2.2
177.05469	7.3
182.68225	0.5
183.08044	1.1
185.05989	1.6
185.09642	0.8
187.03906	29.1
187.07471	3.0
189.05464	9.6
193.05066	0.6
195.08092	1.4
198.06821	1.7
199.03900	8.0
199.07552	1.1
201.05518	5.1
201.09109	0.8
203.03400	5.4
203.05080	0.6
203.05434	0.6
203.06992	4.4
205.04970	0.7
211.07521	0.8
212.04715	0.6
213.05519	4.0
213.09137	1.9
214.06265	0.7
215.06953	2.6
217.04980	1.0
217.08598	2.7
219.06625	0.9
223.07544	1.5
225.09236	0.9
226.06239	8.9
227.06940	2.3
228.07846	3.4
229.08600	28.8
230.08844	0.6
231.10126	7.5
239.07146	0.6
241.08597	25.7
242.08926	0.9
243.10172	21.0
245.08171	3.0
247.09663	58.0
248.10014	1.6
253.08598	2.3
255.10132	3.2
257.08047	0.6
259.09653	9.0
265.10632	0.6
271.09711	0.9
278.00076	0.6
281.72885	0.5
295.13269	9.8
303.57129	0.5
313.14331	27.8
314.14725	1.1
325.15121	0.6
331.15408	17.0
668.92468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.8
57.07058	2.3
57.85140	0.7
59.04984	2.3
59.47710	0.7
65.03926	3.1
67.05505	10.8
69.07058	4.7
71.04994	0.9
71.18439	1.4
71.18752	0.8
75.40791	0.6
79.05470	1.7
81.07052	1.5
83.01305	1.0
85.06544	8.7
91.05480	6.7
93.07028	1.3
95.08588	1.9
103.05483	1.0
105.07027	1.9
107.04983	1.0
109.10136	1.1
115.05464	1.8
117.06991	0.9
119.04908	2.9
121.06538	1.3
121.10144	2.9
126.69350	0.7
128.06207	1.4
129.06973	0.8
131.04936	7.9
133.06517	1.3
143.04959	1.4
147.04410	14.0
155.08566	1.2
159.04419	8.6
159.08110	1.1
161.05968	1.8
163.03914	5.4
171.04401	2.5
173.05998	2.8
174.94356	0.7
175.03902	100.0
176.04308	3.4
177.04010	1.3
177.05469	11.4
183.08130	0.7
185.05943	1.2
185.09570	1.2
187.03902	32.5
187.07491	3.0
188.04294	1.2
189.05452	10.5
195.08009	0.9
198.06779	2.0
199.03902	10.9
199.07538	1.3
201.05432	6.7
201.09015	1.0
203.03415	5.7
203.07043	3.2
203.10606	0.9
211.07527	1.0
213.05443	5.2
213.09119	1.6
215.07066	3.2
217.04990	1.2
217.08585	2.9
223.07536	0.9
226.06218	6.9
227.06952	2.0
228.07800	4.2
229.08601	26.8
231.10149	9.8
241.08583	28.1
242.08971	1.0
243.10175	23.1
245.08083	4.9
247.09656	57.4
248.09979	2.1
253.08701	2.6
255.10164	3.6
257.08063	1.4
259.09668	10.1
265.10638	1.2
271.09689	1.3
295.13272	9.5
313.14331	28.4
314.14706	1.0
331.15421	19.0
679.30786	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	679.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29102	0.8
55.05505	5.1
57.07071	3.4
59.04983	1.8
65.03942	1.8
66.14145	0.9
67.05509	12.5
69.07068	6.8
69.79927	2.2
69.80344	3.7
71.05004	1.6
79.05476	2.3
81.07076	2.1
83.01344	1.0
83.08617	1.3
85.06553	9.5
90.10825	1.1
91.05463	7.0
93.07019	1.4
95.08644	1.3
103.05458	1.2
105.07052	2.3
107.08553	1.2
109.10115	1.3
115.05474	1.0
119.04941	3.9
121.10126	3.0
123.11722	1.2
128.06189	2.0
131.04948	6.2
145.06453	1.7
147.04402	11.2
159.04425	9.4
161.05983	1.0
163.03922	5.7
163.06042	1.1
171.04381	1.5
173.06085	2.3
175.03918	100.0
176.04303	2.8
177.05472	8.2
185.06003	1.4
186.40651	1.2
187.03912	33.1
187.07474	2.0
189.05489	10.0
197.05963	1.2
197.09630	1.0
198.06837	1.7
199.03883	9.1
199.07648	1.8
201.05466	6.0
203.03419	6.6
203.07045	3.9
211.07558	2.1
213.05450	7.7
213.08994	1.5
215.07045	3.0
217.08614	2.9
219.06519	1.2
222.76129	1.1
223.07607	1.5
226.06262	8.0
227.07057	4.6
228.07739	2.8
229.06506	2.0
229.08614	29.3
231.10107	6.2
235.65367	1.0
239.07217	1.3
241.08609	27.9
241.11047	1.9
243.10197	23.7
245.08092	5.5
247.09685	60.8
248.10010	2.3
253.08597	2.6
255.10164	4.1
257.08124	2.6
259.09735	8.2
269.11725	1.4
295.13290	8.4
313.14349	34.8
314.14392	1.2
331.15402	22.7
332.15945	1.3
353.02933	1.1
448.44189	1.1
478.26981	1.0
485.86667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.5
55.58492	0.9
57.07072	3.4
59.04996	1.2
65.03939	1.8
67.05507	11.6
69.07061	4.8
69.71094	2.1
69.71500	4.2
79.05479	1.7
81.07046	2.1
83.01365	1.1
85.06556	11.1
91.05492	4.9
93.07029	1.1
95.08579	1.3
105.03372	1.1
105.07024	1.3
109.10155	2.0
115.05523	1.4
119.04955	2.3
121.10091	2.0
128.06206	2.1
131.04930	7.9
131.08560	1.1
133.06566	1.0
143.04926	1.3
145.06516	1.8
147.04414	9.6
147.06056	0.9
152.94293	0.9
155.08626	0.9
159.04445	8.1
161.05980	1.8
162.09224	1.2
163.03961	5.4
165.60555	0.9
169.10146	0.9
171.04443	1.2
172.65376	0.8
173.06000	3.2
175.03914	100.0
176.04259	12.7
177.05489	9.2
178.05855	1.4
185.09662	1.2
187.03908	28.8
187.07518	2.5
188.04276	4.1
189.01718	0.9
189.05457	10.7
198.06757	1.0
199.03871	8.9
199.07539	1.6
200.04314	1.1
200.67470	1.1
201.05460	7.3
201.09250	1.0
202.05832	1.2
203.03375	4.8
203.07091	3.4
211.07460	1.0
212.04613	1.1
213.05476	4.1
213.09100	1.7
215.06937	4.3
217.08595	3.5
226.06223	9.3
227.06934	2.4
228.07883	2.1
229.08615	29.3
230.08971	6.1
231.10271	6.5
232.10439	2.1
239.07146	1.1
241.08575	28.9
242.08942	5.3
243.10172	21.9
244.10524	5.0
245.08110	5.4
247.09663	58.1
248.10077	11.0
253.08594	3.3
254.09077	1.2
255.10210	3.7
257.08185	1.2
259.09741	9.6
260.09964	2.3
269.11682	1.1
295.13385	9.2
296.13629	2.4
313.14343	29.7
314.14728	7.0
329.58124	1.0
331.15387	18.2
332.15735	5.3
537.25623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.01864	0.1
55.05498	0.1
57.03419	0.3
61.02895	0.1
61.43132	0.1
63.30865	0.1
67.01855	0.1
67.05493	0.2
68.99796	0.2
69.03419	0.4
70.05875	0.3
70.06596	0.1
71.04997	1.4
73.02902	0.1
76.27544	0.1
79.05462	0.1
81.03419	0.5
81.07037	0.2
83.01337	0.1
83.04965	0.3
85.02907	2.6
85.06524	0.1
86.09679	0.1
87.00809	0.2
87.04450	0.1
91.05453	0.3
93.07044	0.2
95.04936	0.2
95.08601	0.1
97.02856	0.2
99.04446	0.2
101.06015	0.1
103.03992	0.1
105.01842	0.3
105.07003	0.2
107.08603	0.1
109.02866	0.6
111.04434	0.3
119.04886	0.1
119.08541	0.1
121.02901	0.1
123.04399	0.1
127.03924	0.8
128.07072	0.3
129.01805	0.2
129.05501	0.8
133.06508	0.9
135.04350	0.2
145.04944	0.3
145.10101	0.2
147.02843	0.1
147.04376	0.2
147.06529	0.2
151.03897	0.2
153.01802	1.2
159.02962	0.1
159.04402	0.3
171.02904	0.3
172.03941	0.1
175.03885	0.1
189.03859	0.1
204.06473	0.1
206.04497	0.1
207.06525	0.3
213.03964	0.2
217.08551	0.1
231.05014	0.1
237.07568	0.1
239.07007	0.1
242.05734	10.9
243.06232	0.4
246.43240	0.1
269.11771	0.2
270.05225	10.3
271.05823	0.3
285.07562	100.0
286.07922	2.0
287.05588	0.2
309.08109	0.1
327.08698	0.2
351.08661	0.2
393.09592	0.1
431.17014	0.1
447.12585	0.2
490.19800	0.3
522.22168	0.1
533.12976	0.7
582.85785	0.1
593.18610	0.5
679.18591	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07819	1.7
53.72901	1.4
56.33691	1.6
56.96563	6.5
58.99871	3.2
68.97051	1.7
69.03417	3.2
70.82273	3.6
71.79218	1.5
77.00906	2.7
84.96052	2.3
85.02898	3.3
91.05446	2.2
95.04950	3.4
97.02874	2.9
98.97578	12.6
101.00862	11.6
105.00368	7.4
105.03388	100.0
109.02897	2.7
110.97524	2.2
112.99149	4.1
115.02425	3.1
116.98624	7.3
119.01917	51.1
123.01408	3.1
127.02417	2.6
128.98570	2.2
129.00311	2.7
131.00159	5.6
131.01898	13.0
133.03435	3.8
134.99675	2.5
137.02979	6.3
142.03487	2.6
143.00215	2.0
143.01894	31.6
145.01608	1.9
145.03464	21.6
146.99641	1.9
147.01390	12.1
147.04387	2.2
149.01218	6.8
149.02957	2.3
155.01872	20.8
157.03462	9.7
158.99655	5.1
159.01410	2.2
161.01555	3.5
161.02951	43.0
163.02487	2.7
163.04538	3.0
167.01909	9.9
169.03513	6.2
170.99754	2.5
171.01376	2.8
171.05075	4.2
173.01436	4.0
173.02953	38.2
175.04579	7.8
176.62436	1.9
177.00746	4.7
177.02353	2.8
177.05406	1.6
179.01906	4.8
181.03427	18.2
183.01617	1.5
184.04491	2.7
185.02943	49.1
185.04601	2.6
187.02950	2.3
187.04541	8.2
189.00797	4.5
191.02328	2.1
191.03929	2.4
193.03821	3.7
195.05011	3.5
197.02966	19.9
199.04549	27.0
201.00725	3.1
201.02472	3.0
203.04024	16.7
205.03491	10.0
207.05006	3.0
208.04660	2.7
211.04713	3.4
211.06697	3.8
213.02492	2.0
213.06165	2.1
215.04039	13.1
219.01775	9.1
219.05040	10.0
221.05045	9.9
223.04523	92.3
225.06175	2.1
227.03957	11.2
231.05151	2.6
233.06761	3.0
235.04567	5.8
235.06679	8.9
237.02776	10.8
237.06085	12.0
241.05408	8.8
245.05069	89.6
246.06075	3.0
247.04581	4.5
247.06718	6.1
249.06123	12.1
249.08348	3.3
251.02281	3.2
253.05608	6.5
257.05133	5.1
261.02832	5.7
263.06165	11.1
265.05453	8.4
271.06656	3.9
275.02469	4.7
275.06238	10.0
277.03900	4.0
279.03967	3.2
281.04968	2.5
285.04596	2.4
286.07687	2.0
291.03668	5.0
293.03717	2.0
293.07452	2.6
299.03882	1.9
305.07266	5.2
307.06577	15.1
309.04404	3.1
319.03030	10.5
321.05035	3.9
325.07675	19.8
335.04449	2.8
335.08313	4.4
337.04065	3.6
337.10071	36.2
347.05807	2.7
351.05521	2.9
351.11365	2.2
352.63708	1.8
355.05118	11.2
355.09354	9.2
359.04962	3.7
361.04031	7.0
365.09201	10.0
373.04620	2.6
377.05789	6.8
379.04901	19.6
379.08868	2.1
389.07169	6.4
391.05032	3.0
395.06702	4.0
397.06018	31.9
397.10437	4.3
407.08212	3.4
409.05850	8.1
415.07227	2.8
427.07123	7.2
439.07275	7.9
441.10016	14.3
457.08347	9.6
463.07016	7.8
481.08286	24.1
487.12689	8.1
499.09262	28.9
517.10248	6.4
575.21002	5.2
643.13379	5.4
661.14447	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	4.4
55.01862	1.1
55.05503	3.7
56.05030	2.9
57.03440	2.2
57.07053	1.1
60.04517	2.2
63.16554	0.8
67.05508	10.6
69.07070	9.8
70.06599	4.5
71.04977	2.4
71.26876	1.9
74.06081	27.8
79.05494	8.0
81.03419	13.1
81.06590	1.2
81.07053	17.2
82.06562	0.9
83.04973	5.6
83.08624	1.2
91.05477	9.6
93.07046	15.8
95.04968	17.9
95.08612	16.4
97.06513	3.3
97.43720	0.7
98.06050	23.2
99.04453	4.8
101.70969	0.9
105.07034	14.7
107.08591	21.8
109.06528	4.7
109.10165	12.6
112.07591	2.0
116.07086	9.3
117.07011	3.8
119.08578	17.1
121.06516	2.8
121.10139	15.4
123.11700	5.2
124.07576	1.4
128.06198	1.6
128.07065	0.9
129.07007	3.0
130.08714	1.0
131.08557	9.9
133.10124	18.7
135.08055	2.3
135.11684	10.7
137.05974	1.0
137.13222	4.0
139.07576	2.4
141.07034	1.0
142.07771	2.2
143.08575	9.1
144.09358	1.5
145.10126	12.7
147.11685	13.1
149.13284	4.2
151.11186	6.9
155.08586	4.4
156.10320	1.2
157.10114	11.4
158.08182	1.6
158.10786	0.9
159.11678	14.4
161.09630	2.0
161.13257	7.2
163.14851	1.7
169.10136	5.7
169.12296	1.0
171.11661	6.1
172.09735	0.9
173.09618	2.0
173.13280	8.9
175.11253	1.0
175.14819	7.4
177.12869	1.2
177.16382	3.0
181.10092	2.4
183.11653	5.6
184.07385	1.7
184.12399	1.5
185.09610	1.0
185.13271	7.0
187.14815	7.0
189.12766	1.0
189.16370	6.0
191.17961	1.5
195.11700	2.9
196.12439	1.1
197.13292	4.7
198.11250	14.0
199.11272	0.9
199.14777	7.0
201.12752	2.3
201.16393	10.0
203.14371	1.2
203.17920	2.0
207.11609	1.2
209.13226	2.8
211.14720	4.1
213.12720	4.7
213.16396	2.4
215.14435	1.8
215.18018	1.7
220.13148	0.9
221.13278	2.0
223.14769	2.4
225.16441	2.8
227.14330	1.5
227.17976	1.8
229.15802	1.0
229.19528	1.1
231.13867	1.2
237.16460	1.7
239.17920	2.0
241.16066	1.5
241.19321	1.0
249.16519	1.4
251.18027	1.5
253.19473	1.5
255.21146	1.3
263.17987	1.0
265.19510	0.9
285.25778	2.0
290.17447	1.5
292.97293	0.8
293.22519	0.8
295.24237	11.2
302.17731	1.6
313.25308	3.5
319.24368	2.2
333.25253	1.0
337.25558	1.1
356.22443	2.0
358.23825	1.3
374.23239	1.6
405.31326	1.4
415.29797	4.5
433.30991	12.2
434.31116	0.9
441.54999	0.8
451.32187	4.1
457.60944	0.8
464.35461	1.4
474.33759	3.7
492.34671	33.5
493.35150	1.9
498.58481	1.1
510.35806	26.6
511.36176	3.0
601.42371	4.9
618.23938	0.9
619.43781	4.8
642.44897	1.8
660.45953	6.8
678.47247	100.0
679.47546	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	678.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.5
55.05729	0.9
57.07074	1.8
59.04982	1.2
61.65512	1.0
62.78602	0.9
65.03935	3.4
67.05496	8.4
69.07071	6.6
70.09151	3.7
85.06538	7.6
91.05482	3.5
95.08603	1.7
105.03397	2.2
109.10154	1.9
119.04930	2.7
121.10106	1.8
131.04936	6.4
133.06503	1.5
135.22624	1.0
139.28612	1.0
142.07730	1.9
147.04395	12.1
152.06268	1.1
157.06691	0.9
159.04436	8.1
161.06049	1.5
161.99992	1.0
162.09254	1.6
163.03889	5.4
173.05995	2.8
175.03899	100.0
177.05466	7.1
185.06131	1.5
187.03905	34.2
187.07556	3.2
189.05435	7.5
198.06845	1.9
199.03915	9.6
199.07620	2.2
201.05476	6.3
203.03416	6.9
203.07025	4.4
205.04970	2.2
213.05397	5.6
213.09085	1.9
215.07050	3.4
217.08568	3.7
223.07547	2.0
226.06245	11.5
227.06871	2.2
228.07791	4.3
229.08583	27.2
231.10120	5.6
241.08571	36.9
243.10143	24.2
245.08153	4.9
245.10471	1.1
247.09647	46.3
248.10025	1.4
253.08566	2.8
255.09976	8.2
257.07953	1.1
259.09561	5.6
269.11813	1.3
271.09625	1.3
295.13284	17.0
313.14316	48.8
314.14767	1.4
331.15402	23.6
336.20825	1.4
370.30511	1.2
422.87012	1.1
458.24356	1.2
516.32306	1.9
678.37408	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	678.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03071	1.0
50.46759	0.9
51.29203	1.0
53.03945	4.0
55.01872	1.6
55.05502	4.5
56.05028	4.9
57.03429	3.7
57.07084	2.1
57.17794	1.0
60.04512	2.5
62.77358	1.0
63.55344	0.9
65.03954	1.3
67.05505	16.6
69.07072	13.3
69.39869	9.8
70.06599	7.1
71.04993	6.3
74.06083	39.9
79.05498	10.3
81.03428	16.3
81.07059	22.0
83.04978	5.8
83.08631	2.7
91.05480	15.7
93.07044	19.4
95.04984	20.7
95.08604	19.7
95.09187	1.8
97.06535	3.7
98.06059	29.0
98.81280	1.1
99.04451	8.2
100.07616	1.4
103.05499	1.4
105.04511	1.1
105.07037	19.9
107.04983	1.7
107.08588	23.8
109.06516	7.3
109.10168	18.6
110.06052	1.2
112.07619	2.0
115.05484	1.6
116.07098	11.9
117.07005	6.4
119.08585	25.6
119.63808	1.1
121.06515	3.6
121.10147	19.0
123.08076	2.0
123.11712	8.0
128.06229	2.9
129.07016	5.1
131.08577	14.0
133.10138	20.9
135.08040	3.3
135.11697	14.6
137.13246	6.0
139.07518	3.0
141.07024	1.3
143.08571	8.8
144.09258	1.3
145.10138	18.2
147.08089	1.8
147.11691	15.2
149.09605	2.6
149.13254	3.5
151.11148	7.8
155.08600	4.3
156.09303	2.0
157.10123	12.3
158.08205	1.2
159.08095	1.3
159.11684	17.1
161.09622	2.7
161.13234	8.3
163.03899	7.3
163.14787	2.5
169.10138	5.3
169.12305	1.3
171.11691	7.5
173.09612	1.3
173.13252	11.0
175.04024	4.4
175.11205	2.2
175.14845	8.0
177.16418	3.2
181.10144	2.8
183.11739	5.2
185.13261	10.2
187.11247	2.2
187.14798	9.3
189.16409	7.4
193.10286	1.7
195.11714	4.3
197.13251	7.1
198.11292	13.7
199.11189	1.5
199.14824	9.6
201.12767	2.7
201.16373	13.1
203.17892	1.9
209.13249	3.6
211.14917	4.1
213.12802	5.1
213.16425	4.2
215.14328	2.3
215.17955	1.6
223.14891	1.6
225.16426	2.1
227.14279	1.3
227.18031	2.2
231.13853	3.2
235.14809	2.1
237.16475	2.2
239.18079	3.8
241.08734	1.9
241.19617	1.8
249.16479	1.3
251.18073	1.6
253.19527	1.3
265.19528	1.7
279.17505	1.4
285.25809	2.4
290.17593	1.8
295.24200	11.2
313.14340	3.1
313.25128	2.3
319.24338	3.1
333.25876	2.0
337.25452	1.7
356.22382	2.7
358.23685	1.3
370.23764	1.6
415.29993	4.7
433.30975	11.0
451.32346	3.5
474.33850	3.0
492.34772	26.5
510.35831	28.2
511.36349	2.6
601.42529	4.4
619.43579	5.1
660.46320	6.5
678.47217	100.0
679.47504	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	678.291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09945	6.6
66.65108	5.0
69.22557	14.1
69.22981	51.1
77.84959	5.0
79.37090	4.9
98.21523	12.4
111.52670	5.2
113.03143	5.2
151.78546	6.2
157.21877	5.6
173.31389	4.9
210.11633	5.6
223.12173	7.4
241.22198	5.0
278.98257	5.9
340.00220	5.5
370.40585	5.8
417.16473	5.6
429.17215	6.6
431.18616	11.3
433.24442	9.8
444.19049	7.4
446.22366	5.9
459.21732	67.4
460.22574	15.2
461.23578	11.4
475.21234	24.6
519.23584	10.4
535.57037	5.8
540.02722	6.3
547.27246	34.2
561.24634	24.0
563.26007	7.8
589.24738	8.1
591.25500	6.8
593.24066	16.9
595.25714	7.6
606.28577	100.0
607.28973	7.4
621.27319	38.0
622.28082	61.0
623.27472	10.8
638.26807	16.6
650.29047	9.3
678.28961	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	678.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.6
55.43026	1.2
57.07084	2.5
58.01235	1.1
65.03940	2.2
65.98835	1.0
67.05499	12.4
69.07050	4.1
70.66734	3.4
79.05479	1.9
85.06535	9.9
91.05479	5.4
93.07045	1.7
105.07036	2.1
119.04942	1.2
121.10078	1.8
131.04929	5.4
133.06499	1.3
145.06538	1.4
147.04420	10.5
159.04443	10.1
161.05954	1.4
163.03990	5.6
173.05890	1.2
175.03914	100.0
176.04314	2.2
177.05472	9.1
187.03909	34.7
187.05563	2.2
187.07558	3.7
189.05470	10.8
199.03897	7.8
201.05482	5.8
201.09135	1.1
203.03328	5.4
203.07014	4.1
211.07529	1.3
213.05498	5.3
213.08948	1.7
215.07106	3.7
217.04955	2.3
217.08542	2.4
223.07402	1.2
226.06305	9.5
227.06979	3.0
228.07745	2.2
229.08604	27.2
231.10095	7.2
239.06718	1.5
241.08600	29.0
243.10184	23.9
245.08109	3.4
247.09662	52.9
248.09950	1.7
253.08563	2.3
255.10210	3.7
257.08084	1.3
259.09592	8.7
283.68512	1.4
295.13376	9.8
313.14334	26.8
314.14603	1.2
331.15369	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	678.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.0
57.07065	1.8
65.03941	2.8
67.05508	11.7
69.07063	3.8
70.56055	1.8
70.56422	2.0
71.04993	1.2
74.32372	0.9
79.05533	0.9
79.36536	1.0
85.06545	11.4
87.93848	0.8
91.05491	3.4
103.05482	1.2
105.66730	1.1
109.10152	1.8
119.04939	2.4
121.10135	1.8
131.04915	4.3
139.11177	0.9
145.06511	0.9
147.04436	9.3
155.08310	0.8
159.04431	5.7
163.03917	4.3
173.05969	1.4
175.03909	100.0
176.04338	1.5
177.05502	6.8
181.22784	0.9
185.09618	1.8
187.03920	28.4
187.07521	2.3
189.05487	6.3
198.06865	1.1
199.03860	6.3
201.05388	4.5
201.09204	1.0
203.03394	4.6
203.07071	3.4
203.10820	1.1
213.05484	3.6
213.09056	1.2
215.07083	1.6
216.53226	1.0
217.04968	1.8
217.08600	1.8
223.07446	1.2
226.06253	8.0
227.06950	1.3
228.07739	2.5
229.08591	27.6
231.10170	7.0
241.08591	25.1
243.10159	23.6
245.08299	1.8
247.09668	74.9
248.10173	1.0
253.08646	3.0
255.10193	6.1
259.09656	7.2
267.62759	1.0
271.09641	1.4
295.13293	11.8
313.14337	32.3
314.14594	0.9
331.15421	27.3
332.15900	1.2
410.68027	0.9
479.89682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.05511	14.1
57.03425	6.1
57.07078	4.2
60.84370	1.4
61.02932	16.4
65.03923	2.8
67.05507	77.0
69.03439	2.6
69.07066	17.8
69.36703	1.4
69.37017	12.8
71.04976	2.9
71.08633	1.6
73.02930	7.1
74.09719	3.8
75.04495	2.0
79.05494	47.0
81.03432	2.0
81.07059	89.1
83.04977	3.2
83.08617	8.9
85.02904	18.1
85.06544	3.3
91.03960	18.5
91.05487	24.4
93.07048	57.3
93.07649	3.2
95.04955	2.8
95.08611	74.1
97.02885	10.3
97.06527	3.7
97.10166	4.6
98.21558	3.1
99.08074	1.8
105.04556	1.3
105.07050	17.3
107.08593	38.8
109.10162	37.9
111.08095	1.7
113.09606	2.2
117.07001	7.3
119.08585	20.0
121.09334	2.5
121.10150	34.6
123.08040	2.3
123.11722	18.3
125.09667	2.2
125.82575	1.3
127.03934	8.4
131.08569	21.4
133.10147	15.8
135.11699	29.2
137.13260	6.9
145.04973	10.0
145.10129	18.6
147.11693	12.8
149.13252	25.7
151.11176	2.9
151.14801	4.1
159.11688	14.7
161.13216	11.9
163.06059	12.2
163.14824	16.4
165.12791	3.0
173.13249	16.5
175.14828	3.6
177.16351	6.4
179.14255	3.2
187.14790	9.4
201.16376	4.2
205.15952	1.5
219.06471	1.5
233.22623	3.3
243.21088	31.3
247.09770	2.3
261.22147	100.0
262.22577	2.2
279.23157	4.2
335.25772	33.8
347.07584	5.8
353.26843	33.6
497.30884	6.6
550.97388	1.5
601.60303	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01868	2.1
55.05521	1.7
55.36777	1.3
58.06592	2.7
60.04523	1.2
60.11898	1.2
65.03951	2.2
65.30084	1.3
67.05507	4.7
69.03434	5.0
69.07059	5.5
70.00235	7.0
70.06590	21.7
71.04969	1.5
72.08147	3.4
79.05508	4.1
81.03417	6.2
81.07042	3.5
82.06583	2.3
83.04958	1.5
84.08136	4.3
85.02913	7.7
86.06079	1.5
86.09705	4.8
87.04426	1.2
91.05479	7.4
93.07047	5.6
94.06573	4.3
95.04987	3.4
95.08627	1.7
96.08131	5.5
97.02896	4.9
97.06548	3.1
98.20879	1.9
99.04464	3.2
103.05478	3.1
105.01875	1.4
105.03368	7.3
105.07007	3.0
106.06583	2.1
107.04980	2.9
107.07381	2.2
107.08575	2.7
108.04460	2.1
108.08118	72.0
109.02884	4.9
109.08423	2.1
109.10215	1.3
110.06007	1.8
110.07148	1.4
110.09692	4.1
111.04449	1.7
112.07628	7.3
112.08266	1.1
115.08678	1.8
116.05000	1.6
116.07085	2.0
116.10697	1.5
117.07113	1.4
119.04935	3.6
119.08550	2.1
120.04488	1.4
120.08138	7.2
121.02857	10.6
121.06486	1.8
121.10133	2.5
122.06017	4.2
124.03967	1.6
124.07607	5.4
127.03935	5.7
128.07092	1.8
129.10269	2.1
131.04942	4.6
132.08189	1.2
133.02870	2.7
134.06062	3.3
134.09688	1.5
135.04460	2.0
135.08160	1.6
136.07578	100.0
137.05983	10.6
138.05539	6.2
138.09135	9.9
140.07086	8.1
142.08652	1.6
144.04482	2.6
145.04976	1.8
145.06372	1.1
145.10135	1.4
146.05995	6.0
147.04375	9.0
148.07605	4.6
149.06006	1.9
150.05559	1.4
150.09050	1.5
151.03868	6.1
151.07509	1.4
152.07072	4.5
154.08586	3.1
159.11668	2.0
160.04042	2.1
160.07593	4.6
161.05943	1.7
162.05490	3.0
162.09106	9.1
163.07526	8.5
164.07069	14.9
165.05505	1.6
166.05087	1.5
166.08690	8.5
167.07101	2.6
168.06561	1.9
172.03964	9.8
174.05536	4.2
175.03922	5.4
175.07430	1.7
176.07071	3.2
177.05505	5.6
187.07422	1.8
190.04991	9.5
190.08656	4.1
191.07062	1.6
192.06581	2.7
195.06514	1.3
199.08694	5.0
199.12437	1.4
200.09288	1.7
204.06580	16.7
206.04523	1.6
207.06543	8.6
211.08791	6.4
212.09387	2.9
213.06596	1.8
213.10205	5.0
215.08229	1.8
218.08188	3.8
221.10796	1.4
222.09201	1.7
225.10428	6.8
227.08278	4.3
227.11710	3.0
229.09753	1.5
233.11697	2.0
238.11017	1.6
239.11784	11.1
241.09724	7.4
242.10506	1.3
243.11327	5.2
249.10161	3.0
251.08232	1.8
251.11798	1.7
252.08867	1.2
253.09860	8.1
254.10472	2.0
255.07724	2.0
255.11305	5.7
256.08719	1.5
256.12045	1.5
257.12604	3.9
259.10757	1.6
264.08893	1.7
265.09753	2.8
266.10416	1.7
267.11270	12.4
268.12173	1.8
269.09225	2.5
269.12729	3.0
271.06213	2.2
271.10791	3.8
273.08719	2.3
273.12238	4.1
275.13895	2.4
279.11148	2.3
281.09213	4.7
283.10828	6.6
284.11353	3.6
285.12323	18.0
287.05527	4.8
287.10312	3.7
295.10779	7.1
297.12341	16.2
299.10138	3.3
299.13770	2.8
300.11395	2.4
301.11887	4.1
302.12790	1.8
303.13425	10.6
311.10187	4.3
313.11841	47.7
314.12509	2.9
315.13608	1.6
323.10260	9.8
325.11783	13.2
327.09598	1.8
327.13437	1.8
328.10513	2.1
329.11490	3.6
339.08746	1.7
339.13406	1.8
341.11328	44.8
342.12173	3.1
343.13220	6.2
345.14624	2.3
346.11716	1.4
346.15604	2.0
353.10211	8.5
355.12927	5.0
356.13684	1.7
357.14551	5.9
358.15591	2.0
359.12369	4.6
360.13205	3.6
369.11224	1.8
371.12585	2.4
373.13950	53.2
374.14563	4.1
386.14914	4.1
387.15588	1.6
392.15930	2.3
402.14240	2.4
404.16141	2.0
406.17859	1.9
409.13931	4.1
414.14484	5.9
415.15338	6.2
416.16281	2.2
418.17975	2.5
420.15305	3.1
432.15433	5.9
433.16510	1.9
434.17163	4.7
436.19186	2.1
437.19092	2.0
438.21002	1.9
445.16333	1.6
446.17395	1.9
452.18192	5.4
454.19980	2.3
456.15457	4.3
458.17230	1.7
462.16449	12.1
463.17456	2.0
464.18073	4.3
474.16562	17.3
476.17941	5.8
480.17538	11.4
481.18472	4.4
482.19229	14.9
494.19214	4.7
495.19922	4.7
506.19073	3.5
512.20520	3.2
513.20764	3.1
514.21649	5.8
515.15637	3.1
573.27307	2.6
581.24207	1.6
583.25281	3.6
585.23230	4.2
599.24713	5.8
601.26624	9.9
603.24036	2.2
609.23486	5.2
617.26086	33.8
618.26251	2.7
622.67902	1.7
627.24481	50.0
628.24005	5.3
631.27368	1.4
641.24731	1.8
645.25543	41.6
646.25409	2.1
649.28046	2.4
659.26971	14.1
677.27673	34.9
678.26990	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.3
58.89968	1.1
59.13443	1.1
65.32446	0.9
67.05503	2.9
68.05871	1.3
69.03429	3.6
69.07056	1.8
70.06593	2.8
70.86933	2.5
71.05004	1.2
79.05511	2.7
80.05029	1.9
81.03425	2.7
81.07075	1.9
85.02895	2.6
89.06055	2.0
91.05477	5.1
93.07040	5.3
94.06558	8.1
95.04957	1.6
95.07336	4.0
95.08586	1.9
96.08136	8.5
97.02894	2.1
97.06533	1.2
103.05470	2.4
105.07107	1.2
106.06567	2.0
108.04477	3.6
108.08121	13.9
109.02881	2.2
110.09687	14.2
116.04964	2.4
119.04934	2.2
119.08562	1.3
120.04465	5.0
120.08102	13.9
121.02858	2.1
122.06049	7.4
124.07584	11.9
127.03837	2.0
134.06017	4.1
136.07570	12.6
138.05452	1.3
138.09142	17.6
144.04451	5.2
146.06042	7.8
147.04399	3.3
147.11571	1.5
148.07549	4.9
152.06999	2.1
160.03873	3.6
160.07588	1.5
162.05482	5.2
164.07047	2.4
166.08641	17.4
172.03923	21.9
174.05499	2.7
175.03903	2.5
176.07118	6.6
182.09645	1.5
185.10748	1.7
190.05002	22.1
197.10649	1.6
198.09196	1.7
199.08730	2.8
204.06555	40.7
207.06502	5.9
213.10249	4.7
215.11763	3.7
224.09297	1.9
225.10217	3.8
226.10941	1.4
227.11806	3.5
236.09441	3.0
237.10233	4.5
238.11031	3.6
239.11792	2.8
241.09711	5.0
243.11302	15.8
249.10239	2.8
250.11102	2.4
251.08086	1.9
251.11769	2.2
252.08931	2.1
253.09694	2.4
255.11360	2.7
263.08206	2.7
263.11795	4.4
264.09012	3.4
265.09668	3.3
267.11310	2.5
269.09161	3.1
271.06058	2.2
271.10834	2.7
273.12274	7.1
277.09763	3.9
279.11279	5.9
283.06149	1.7
283.10861	5.5
285.12350	27.0
287.05490	4.1
287.10156	8.2
295.10794	2.5
297.12314	7.9
299.10596	1.8
299.13956	6.4
301.11935	3.6
302.12955	2.0
303.13364	25.2
304.13846	1.3
307.10806	3.3
309.12595	1.8
313.12076	2.6
318.16101	2.1
323.10132	6.9
325.11792	33.7
326.12726	2.0
327.13300	3.4
328.14496	2.6
330.12280	3.1
330.16022	2.0
337.10999	5.1
339.13647	1.8
342.12381	2.3
343.13089	7.4
344.13962	4.4
347.16541	2.1
353.10245	6.4
355.12985	1.5
356.13959	3.0
357.14481	13.3
358.15417	5.3
359.16376	1.5
367.12930	1.7
370.11804	2.5
371.12570	3.7
372.13486	4.2
373.14200	3.5
374.14981	2.7
376.16376	1.7
384.13354	1.5
385.14362	2.3
386.14999	11.4
387.15903	6.0
392.15561	1.5
396.13666	1.4
400.16763	2.3
401.13498	1.3
402.14404	3.6
404.16000	6.3
406.17551	1.7
410.14850	2.0
413.14297	1.5
414.14517	13.7
415.15305	23.1
416.16040	2.5
418.17603	3.8
420.15366	5.6
428.16068	5.2
430.17447	4.4
432.15442	17.5
444.15555	4.4
446.16898	3.5
456.15564	9.3
462.16586	16.6
464.17966	2.3
474.16580	44.2
475.16809	2.1
476.17838	2.4
494.18744	1.3
506.19299	9.1
515.15356	2.6
520.20874	6.4
522.22144	1.6
539.21747	1.5
581.23853	3.2
583.25244	3.2
585.23346	8.8
599.24933	3.3
609.23370	13.0
627.24445	100.0
628.24805	5.9
641.26001	2.1
659.26672	3.5
677.33875	1.4
697.57477	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96669	1.1
65.03952	1.1
67.05519	1.4
69.03428	1.6
69.07073	1.2
69.37699	8.2
70.06596	2.8
79.05502	2.6
81.03423	3.1
81.07085	1.6
82.06567	1.7
83.08636	2.1
85.02873	1.6
91.05492	3.0
93.05785	1.1
93.07048	4.8
94.06552	5.4
95.04958	1.1
95.07355	3.3
96.08138	8.5
100.11264	3.1
106.06552	2.6
107.08610	1.0
108.04486	1.9
108.08118	13.4
108.63201	1.2
109.02881	1.9
110.09678	13.4
116.04945	1.6
120.04479	3.4
120.08100	10.2
122.06037	5.4
124.07600	11.3
126.75841	1.0
127.03925	1.5
133.10149	1.3
134.06004	4.2
136.07602	11.4
138.05571	2.1
138.09140	14.4
144.04483	5.2
146.06006	7.2
147.04425	2.6
148.07578	4.3
152.07092	1.4
160.03976	3.7
160.07573	1.4
162.05524	5.2
164.07097	2.3
166.08658	17.8
172.03951	18.9
174.05548	2.8
175.03923	1.2
176.07109	4.1
190.04994	19.9
196.10008	1.1
196.43089	1.0
199.08717	2.1
201.10376	1.2
204.06583	37.7
207.06546	3.1
210.14912	1.6
211.08629	1.7
212.09406	1.9
213.10243	4.2
215.11844	2.7
225.10205	4.3
227.11737	2.6
235.08629	1.5
236.09460	2.7
237.10248	3.1
238.10962	2.0
239.11792	2.1
241.09721	4.1
243.11281	12.7
249.10246	2.9
250.11111	1.7
251.11874	2.2
252.09119	1.5
255.11366	2.2
256.12186	1.4
257.12897	2.3
263.08249	2.0
263.11719	1.8
264.08817	3.0
265.09644	2.0
266.10611	1.2
267.11340	1.8
269.09329	3.1
270.09827	1.2
271.10782	3.0
273.12326	5.3
277.09726	1.4
279.11331	3.5
283.10809	5.6
284.11655	1.2
285.12344	25.8
287.10233	6.2
291.11105	1.5
295.10699	1.7
297.12354	7.4
299.10651	1.6
299.13965	4.7
301.12036	4.0
302.12766	1.7
303.13397	25.8
304.14224	1.5
307.10825	1.2
309.12381	1.3
313.12018	1.9
314.12915	1.3
314.16345	1.3
316.10977	1.9
316.14468	1.7
323.10324	5.3
325.11853	31.0
326.12759	2.0
327.13394	4.3
329.11606	2.0
330.12381	3.1
331.13303	1.4
332.14136	1.3
337.11603	1.6
342.12512	1.8
343.12845	6.0
344.13855	2.4
345.15027	1.2
346.15454	2.9
354.12354	1.6
355.12973	1.9
355.29385	1.3
356.14001	1.8
357.14493	10.5
358.15640	4.4
367.13025	1.7
368.14124	1.7
370.11752	2.0
371.12656	3.1
372.13461	2.9
373.14148	2.4
374.14999	3.1
384.17200	1.4
385.14532	3.2
386.14969	10.6
387.15680	3.7
392.16068	1.1
396.13559	2.2
400.12399	1.7
402.13971	2.3
404.16138	5.1
406.17581	2.6
410.15012	1.8
413.13699	1.2
414.14508	12.0
415.15298	19.2
416.15802	3.4
417.16705	1.2
418.18155	2.1
420.15646	3.1
428.16049	4.2
430.17868	1.9
432.15564	15.1
438.14398	1.2
444.15521	3.3
446.17230	3.5
456.15445	8.6
457.39001	1.3
462.16599	13.6
463.82294	1.2
464.17981	2.3
474.16656	36.8
475.16641	2.1
476.18167	3.6
488.34283	1.3
494.19159	2.3
506.19177	9.4
520.20862	3.0
580.40973	1.4
581.23749	3.1
583.25555	2.7
585.23352	7.1
599.24634	3.8
609.23407	12.3
627.24536	100.0
628.24451	7.4
641.26062	1.8
659.27325	5.3
677.49481	4.3
695.48779	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96669	1.1
65.03952	1.1
67.05519	1.4
69.03428	1.6
69.07073	1.2
69.37699	8.2
70.06596	2.8
79.05502	2.6
81.03423	3.1
81.07085	1.6
82.06567	1.7
83.08636	2.1
85.02873	1.6
91.05492	3.0
93.05785	1.1
93.07048	4.8
94.06552	5.4
95.04958	1.1
95.07355	3.3
96.08138	8.5
100.11264	3.1
106.06552	2.6
107.08610	1.0
108.04486	1.9
108.08118	13.4
108.63201	1.2
109.02881	1.9
110.09678	13.4
116.04945	1.6
120.04479	3.4
120.08100	10.2
122.06037	5.4
124.07600	11.3
126.75841	1.0
127.03925	1.5
133.10149	1.3
134.06004	4.2
136.07602	11.4
138.05571	2.1
138.09140	14.4
144.04483	5.2
146.06006	7.2
147.04425	2.6
148.07578	4.3
152.07092	1.4
160.03976	3.7
160.07573	1.4
162.05524	5.2
164.07097	2.3
166.08658	17.8
172.03951	18.9
174.05548	2.8
175.03923	1.2
176.07109	4.1
190.04994	19.9
196.10008	1.1
196.43089	1.0
199.08717	2.1
201.10376	1.2
204.06583	37.7
207.06546	3.1
210.14912	1.6
211.08629	1.7
212.09406	1.9
213.10243	4.2
215.11844	2.7
225.10205	4.3
227.11737	2.6
235.08629	1.5
236.09460	2.7
237.10248	3.1
238.10962	2.0
239.11792	2.1
241.09721	4.1
243.11281	12.7
249.10246	2.9
250.11111	1.7
251.11874	2.2
252.09119	1.5
255.11366	2.2
256.12186	1.4
257.12897	2.3
263.08249	2.0
263.11719	1.8
264.08817	3.0
265.09644	2.0
266.10611	1.2
267.11340	1.8
269.09329	3.1
270.09827	1.2
271.10782	3.0
273.12326	5.3
277.09726	1.4
279.11331	3.5
283.10809	5.6
284.11655	1.2
285.12344	25.8
287.10233	6.2
291.11105	1.5
295.10699	1.7
297.12354	7.4
299.10651	1.6
299.13965	4.7
301.12036	4.0
302.12766	1.7
303.13397	25.8
304.14224	1.5
307.10825	1.2
309.12381	1.3
313.12018	1.9
314.12915	1.3
314.16345	1.3
316.10977	1.9
316.14468	1.7
323.10324	5.3
325.11853	31.0
326.12759	2.0
327.13394	4.3
329.11606	2.0
330.12381	3.1
331.13303	1.4
332.14136	1.3
337.11603	1.6
342.12512	1.8
343.12845	6.0
344.13855	2.4
345.15027	1.2
346.15454	2.9
354.12354	1.6
355.12973	1.9
355.29385	1.3
356.14001	1.8
357.14493	10.5
358.15640	4.4
367.13025	1.7
368.14124	1.7
370.11752	2.0
371.12656	3.1
372.13461	2.9
373.14148	2.4
374.14999	3.1
384.17200	1.4
385.14532	3.2
386.14969	10.6
387.15680	3.7
392.16068	1.1
396.13559	2.2
400.12399	1.7
402.13971	2.3
404.16138	5.1
406.17581	2.6
410.15012	1.8
413.13699	1.2
414.14508	12.0
415.15298	19.2
416.15802	3.4
417.16705	1.2
418.18155	2.1
420.15646	3.1
428.16049	4.2
430.17868	1.9
432.15564	15.1
438.14398	1.2
444.15521	3.3
446.17230	3.5
456.15445	8.6
457.39001	1.3
462.16599	13.6
463.82294	1.2
464.17981	2.3
474.16656	36.8
475.16641	2.1
476.18167	3.6
488.34283	1.3
494.19159	2.3
506.19177	9.4
520.20862	3.0
580.40973	1.4
581.23749	3.1
583.25555	2.7
585.23352	7.1
599.24634	3.8
609.23407	12.3
627.24536	100.0
628.24451	7.4
641.26062	1.8
659.27325	5.3
677.49481	4.3
695.48779	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.5
55.01828	0.4
55.05479	0.2
57.03389	0.8
59.04955	0.1
61.02928	0.9
62.42989	0.1
65.03893	0.3
66.91921	0.1
67.05458	0.5
69.03430	2.7
69.07039	0.3
69.51738	0.1
69.66272	0.1
69.72209	0.8
70.06538	0.4
71.04949	0.5
71.05306	0.1
72.08109	0.2
73.02864	0.4
79.05438	0.5
81.03413	1.5
81.07053	0.9
81.73004	0.1
83.04927	0.2
85.02904	7.2
85.06484	0.2
86.09676	0.2
87.04405	0.2
91.03935	0.2
91.05460	0.7
93.07001	0.4
95.04976	1.8
95.08566	0.5
97.02905	2.3
97.06483	0.2
99.04405	0.6
105.07012	0.7
107.04931	0.4
107.08545	0.5
108.08089	0.2
109.02878	1.1
109.06486	0.2
109.10091	0.4
111.08031	0.2
115.14185	0.2
116.83055	0.1
117.03341	0.2
117.06989	0.3
119.04892	0.6
119.08541	0.4
121.02866	5.0
121.03739	0.2
122.05965	0.3
122.09639	0.3
123.04362	0.5
123.05208	0.1
127.03924	1.4
129.07036	0.2
131.04860	0.2
131.08517	0.2
133.02829	0.3
133.06471	0.2
135.08037	0.2
136.07518	0.2
137.05879	0.2
138.09116	0.2
138.79897	0.1
145.02777	0.2
145.04941	1.3
145.06425	0.4
145.10193	0.1
147.04364	0.5
147.11676	0.2
150.09077	0.2
151.03838	0.6
151.07463	0.1
157.06380	0.2
165.01743	0.2
167.07072	0.2
169.10091	0.2
172.03893	0.3
175.03893	0.9
175.07501	0.3
176.04565	0.2
177.05434	0.3
178.05884	0.2
179.03429	1.1
185.05983	0.3
186.09213	0.2
187.46387	0.1
191.03333	0.6
191.07002	0.2
201.05466	1.8
203.03346	0.4
204.06503	0.4
207.06569	1.4
214.08528	0.2
215.06795	0.2
219.06406	0.4
231.11293	0.2
255.17586	0.2
256.09680	0.2
259.10818	1.8
261.09262	0.2
269.08035	0.2
271.05984	2.2
273.12341	0.2
283.05875	0.4
287.05396	0.2
292.07291	1.3
293.08038	0.4
297.07513	0.2
299.05469	1.7
301.06931	0.3
301.11829	1.1
309.07513	0.3
311.05502	1.0
311.09338	0.5
319.12909	1.9
320.07019	0.3
321.07547	0.5
323.05402	0.7
324.06372	0.2
325.07095	0.3
325.10785	0.2
335.09125	7.5
336.09503	0.2
337.07065	3.7
337.13885	0.5
338.07797	3.3
339.09375	0.3
352.11511	0.2
353.10175	100.0
354.10587	2.8
371.12546	0.2
395.11435	0.3
506.19247	0.2
515.15497	35.6
516.16058	1.3
520.20782	0.3
627.24689	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25931	0.4
57.07149	0.3
67.05499	0.7
69.07075	0.5
69.85893	2.0
79.05497	0.6
81.07057	0.8
85.02895	0.5
91.05486	0.5
93.07043	0.5
95.08610	0.4
97.02929	0.4
108.35657	0.4
117.07114	0.4
129.07970	0.3
135.11737	0.5
147.11749	0.4
161.13344	0.3
164.20114	0.4
185.57112	0.4
219.11359	0.4
281.01260	0.3
351.25418	0.4
428.14456	0.5
430.16776	0.5
439.13046	0.4
440.14520	0.4
441.19363	0.5
443.17453	0.5
444.18225	0.5
445.18893	0.8
453.15765	1.0
454.16986	0.7
455.13336	0.8
457.15063	0.6
467.13025	0.5
467.17941	1.0
468.13464	2.4
469.14935	7.3
470.15778	1.7
471.16708	1.3
472.17712	0.5
480.14221	0.7
481.14615	2.6
482.15875	11.3
483.16736	10.7
484.17868	2.1
485.18127	1.3
487.15909	0.5
495.16833	4.8
496.17606	5.6
497.18243	38.5
498.19006	4.1
499.20032	1.1
501.17648	0.5
510.19180	2.0
511.19604	5.0
512.20319	1.4
513.18201	0.6
515.19519	2.4
528.15973	1.9
538.20709	0.9
539.22162	0.6
541.17346	0.7
542.17841	2.1
555.18616	5.0
556.19458	3.0
557.20435	3.5
569.20496	0.6
573.22729	1.1
575.21796	0.4
583.22485	0.5
583.64697	0.4
598.22583	0.5
616.21802	1.3
617.22705	0.6
629.22394	0.5
643.24030	8.1
644.24731	7.0
645.23535	1.1
657.25562	6.1
660.23993	1.6
675.26605	100.0
676.26862	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	675.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01860	1.6
55.05504	2.4
57.03438	1.3
67.05501	3.5
69.03430	3.1
69.07070	3.1
70.06615	5.1
70.06930	1.0
71.04973	1.1
73.02906	1.6
77.19820	1.0
79.05495	6.0
80.05022	1.6
81.03410	5.2
81.07061	6.7
82.06552	1.1
83.04984	2.1
83.08584	1.1
84.08125	1.7
85.02912	5.1
85.06541	1.1
86.09698	1.9
91.05473	7.2
93.05779	1.5
93.07057	7.8
94.06573	4.5
95.04969	3.2
95.08600	4.5
96.08074	1.0
97.02919	2.5
97.06519	1.9
99.04437	1.8
103.05481	2.4
105.03420	1.7
105.07034	5.9
106.06565	2.3
107.04967	1.3
107.07365	7.0
107.08597	3.3
108.08118	8.1
109.02886	4.0
109.06525	1.8
109.10163	3.3
110.06062	2.1
110.09689	1.9
112.07583	1.1
116.04865	1.1
117.06998	1.7
118.06553	2.5
119.04958	3.7
119.08600	5.3
120.04430	1.3
120.08106	13.7
121.02834	2.1
121.06543	1.6
121.10161	3.2
122.06052	5.7
122.09669	13.4
123.08051	1.4
123.11706	1.8
124.07584	1.1
124.65091	1.0
127.03918	3.2
129.10229	1.2
130.06540	1.1
131.08568	2.4
133.10126	2.1
134.06032	1.6
136.07576	12.0
137.06004	2.6
138.05490	1.3
138.09154	2.6
143.08556	1.8
145.06419	1.3
145.10139	3.0
146.06023	4.2
147.04433	4.1
147.07973	1.1
147.11618	1.3
148.07561	22.0
149.06044	1.5
150.09145	100.0
151.03943	1.4
154.05104	1.0
157.10164	1.5
159.07909	1.1
159.11641	1.9
161.05907	1.1
162.05447	1.8
162.09193	1.4
163.11195	2.1
164.07088	4.5
166.08650	8.2
170.16597	1.0
171.11685	1.2
172.03941	2.4
173.09630	1.9
173.13188	1.5
174.05466	1.3
174.09157	1.5
175.03915	6.5
175.11066	1.4
176.07007	1.9
177.05418	2.2
187.11221	1.5
190.05084	1.4
191.10655	1.1
193.04947	1.3
194.09633	1.2
204.06534	3.6
204.10255	2.8
207.06483	9.4
211.12323	1.2
213.10205	1.7
218.08252	1.4
222.07805	1.4
223.08633	1.6
225.10254	2.4
227.08282	1.4
229.61409	1.1
233.11682	1.4
235.08675	1.2
237.10223	5.2
239.11778	3.5
241.09720	2.5
249.10277	4.2
250.10980	1.6
251.08206	2.3
251.11859	3.8
253.09711	2.5
255.11447	1.6
261.10223	1.6
263.08252	2.3
263.11627	1.5
264.08994	1.8
265.09836	7.5
266.10559	1.2
267.11261	3.5
269.09219	2.9
269.12567	1.2
271.06085	2.5
271.13342	1.5
273.14819	1.3
277.09793	2.9
278.10318	2.1
279.08014	1.1
279.11197	4.9
281.09357	1.4
283.05905	1.3
283.10764	2.2
287.05460	2.0
290.10535	2.5
291.11322	2.5
293.09085	4.1
295.10889	5.1
297.12363	2.6
299.10226	1.2
299.14352	1.3
307.10718	5.7
311.10217	5.4
311.13916	1.2
313.11838	2.8
321.08539	2.2
323.10483	1.2
325.12076	2.5
326.13162	2.0
327.10107	1.1
338.13129	1.5
338.71411	1.1
339.09781	6.2
339.13553	4.3
340.14371	3.7
341.11383	2.0
341.15298	1.4
342.12247	1.8
342.16116	2.4
351.10013	1.9
352.14493	2.4
353.11389	1.5
354.16071	2.3
355.13522	1.8
356.13763	3.1
356.17572	2.1
357.10876	2.6
357.14963	1.2
358.15454	1.6
368.13803	3.0
370.15677	5.6
371.12540	1.3
372.17261	2.2
380.14117	1.7
382.15701	5.7
384.12866	1.6
384.17477	6.9
386.14951	3.4
386.19162	1.3
387.13797	1.1
388.16516	1.3
396.13828	1.2
397.14825	2.2
398.15018	6.0
400.16440	3.4
410.14862	3.1
412.16882	8.6
413.17856	1.9
414.14111	1.8
416.15707	2.1
422.15430	1.2
426.14291	4.7
428.16068	6.0
440.16080	7.1
442.17795	9.0
443.17975	3.8
444.19443	3.0
446.17050	3.1
456.15277	2.8
458.17194	6.9
459.17981	1.1
460.18509	4.6
468.15475	4.3
470.17178	3.1
472.15057	5.6
474.16083	1.1
478.15848	1.5
486.16699	26.2
487.17422	7.3
488.18210	34.4
504.17676	22.6
506.19452	2.4
518.19409	11.7
519.19995	1.9
536.20355	3.5
563.22534	1.3
564.21112	4.1
579.22565	1.3
581.23822	5.0
583.22516	1.5
589.21545	1.3
595.22559	1.7
597.23511	1.6
599.24792	7.3
607.21912	10.4
615.24768	1.4
625.22900	14.8
639.23792	3.4
643.24109	16.3
657.25739	11.3
675.28668	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	675.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
62.06985	0.9
62.55735	0.8
67.05502	3.3
69.03446	1.6
69.07066	1.5
69.30104	4.6
69.30531	4.3
70.06590	1.1
71.46180	0.9
72.13555	1.0
73.69364	1.0
77.97389	1.0
79.05476	4.0
80.05016	1.9
81.03412	2.9
81.05781	2.2
81.07051	2.3
82.06555	2.0
85.02905	2.0
91.05458	4.2
93.05802	1.5
93.07042	8.9
93.84590	0.9
94.06563	9.7
95.04964	2.0
95.07362	9.7
95.08604	2.2
96.08137	16.0
97.06528	1.9
103.05460	2.1
105.07071	1.8
108.04478	1.5
108.08116	15.7
109.02883	1.7
109.08921	1.2
110.09683	26.4
117.06937	0.9
117.42577	0.9
118.06498	1.0
119.04908	1.4
119.08595	1.5
120.04507	1.1
120.08106	20.3
121.10146	1.4
122.06023	11.1
124.07545	1.5
127.03938	1.4
136.07581	13.5
138.09142	31.1
146.05984	1.1
148.07593	4.2
159.11729	1.0
160.07538	1.8
161.09613	0.9
163.03905	1.0
166.08638	33.9
172.03987	0.9
175.03879	2.9
189.09142	1.0
207.06534	3.9
207.09265	1.0
211.08693	3.6
213.10208	1.0
221.10841	2.5
233.10710	1.2
235.08676	4.3
236.09428	2.5
237.10217	3.5
247.08733	3.3
248.09337	3.0
249.10248	29.1
250.10995	4.0
251.11800	5.4
253.09618	1.3
261.10239	4.7
262.10995	1.9
263.08148	2.9
263.11734	4.0
264.09314	1.3
265.09897	2.2
269.09128	1.2
275.08090	3.1
276.09045	1.2
277.09735	19.0
278.10550	5.8
279.07700	1.0
279.11215	4.2
287.05435	1.3
288.11566	1.3
289.09637	3.5
290.10379	1.2
291.11258	7.2
292.12018	1.6
293.09128	2.8
295.10834	2.0
297.12613	1.2
299.11188	1.1
300.11505	1.5
303.07596	1.5
304.08401	1.4
305.09235	1.0
307.10660	1.7
309.12222	9.1
310.13260	4.1
311.11047	1.0
311.14349	1.5
312.11908	1.2
313.12152	1.5
314.12906	3.6
315.13696	1.7
316.10947	1.3
318.12448	1.2
321.08765	2.2
323.10379	1.8
323.14038	1.4
324.14944	2.9
325.15784	2.7
326.13174	2.2
326.16614	2.3
327.14014	1.8
328.10800	3.1
328.14426	5.4
329.11621	1.8
329.15286	2.0
330.12503	2.2
331.13171	1.1
332.13849	1.3
335.10281	2.0
337.12183	2.3
338.12869	5.3
339.13995	1.9
340.10687	4.5
340.14429	3.5
341.11801	4.8
341.15543	1.5
342.12396	9.2
342.15982	1.8
343.13049	3.2
344.13959	2.8
351.13593	1.5
352.11313	0.9
352.14560	7.8
353.15167	3.8
354.12415	4.9
354.16058	2.3
355.13342	5.3
356.10455	1.0
356.13986	14.0
357.14633	5.4
358.11716	2.0
358.15500	2.8
365.11676	1.1
366.12283	2.9
367.13132	2.2
368.10165	2.3
368.14136	3.1
369.11087	3.5
369.15051	2.1
370.11707	4.6
370.15573	8.5
371.16241	3.6
372.13208	3.0
372.17148	4.8
374.15054	2.3
379.13098	2.1
380.14178	5.7
381.14978	1.5
382.11111	4.6
382.15530	4.4
383.12869	3.9
384.13400	16.0
385.14096	3.7
385.18231	1.9
386.14859	4.1
386.19049	1.5
388.12531	1.5
397.14087	4.6
398.15063	14.1
399.15961	8.7
400.16736	15.3
401.13739	1.6
402.14404	1.1
403.15015	1.9
404.16180	1.4
408.13181	2.3
410.15231	5.1
412.12839	4.4
413.13452	1.7
414.18173	3.8
415.15540	1.5
416.16141	6.6
417.16959	1.4
425.13525	2.2
426.14520	13.9
427.15314	1.4
428.16119	13.2
430.13626	1.5
431.14581	1.2
436.12601	1.1
442.18515	8.4
443.14627	2.5
444.15543	8.8
454.13986	39.2
455.14047	1.6
458.16559	1.3
460.19125	16.0
464.18085	1.8
472.15048	100.0
473.15262	2.7
474.16589	14.2
476.18115	1.7
485.33780	1.1
486.16541	3.8
490.16220	1.1
492.17639	54.1
493.17908	1.3
504.17636	32.2
505.17889	1.5
506.18945	1.6
522.18469	4.2
579.22015	2.8
584.22864	1.1
589.21088	1.4
597.23425	1.2
607.21857	13.8
611.25250	8.2
621.23566	2.0
625.22882	33.8
626.23395	1.1
629.25665	4.3
639.24487	30.4
640.24451	2.0
643.23706	2.7
657.25531	95.5
658.25745	3.2
675.26447	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	675.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01860	1.6
55.05504	2.4
57.03438	1.3
67.05501	3.5
69.03430	3.1
69.07070	3.1
70.06615	5.1
70.06930	1.0
71.04973	1.1
73.02906	1.6
77.19820	1.0
79.05495	6.0
80.05022	1.6
81.03410	5.2
81.07061	6.7
82.06552	1.1
83.04984	2.1
83.08584	1.1
84.08125	1.7
85.02912	5.1
85.06541	1.1
86.09698	1.9
91.05473	7.2
93.05779	1.5
93.07057	7.8
94.06573	4.5
95.04969	3.2
95.08600	4.5
96.08074	1.0
97.02919	2.5
97.06519	1.9
99.04437	1.8
103.05481	2.4
105.03420	1.7
105.07034	5.9
106.06565	2.3
107.04967	1.3
107.07365	7.0
107.08597	3.3
108.08118	8.1
109.02886	4.0
109.06525	1.8
109.10163	3.3
110.06062	2.1
110.09689	1.9
112.07583	1.1
116.04865	1.1
117.06998	1.7
118.06553	2.5
119.04958	3.7
119.08600	5.3
120.04430	1.3
120.08106	13.7
121.02834	2.1
121.06543	1.6
121.10161	3.2
122.06052	5.7
122.09669	13.4
123.08051	1.4
123.11706	1.8
124.07584	1.1
124.65091	1.0
127.03918	3.2
129.10229	1.2
130.06540	1.1
131.08568	2.4
133.10126	2.1
134.06032	1.6
136.07576	12.0
137.06004	2.6
138.05490	1.3
138.09154	2.6
143.08556	1.8
145.06419	1.3
145.10139	3.0
146.06023	4.2
147.04433	4.1
147.07973	1.1
147.11618	1.3
148.07561	22.0
149.06044	1.5
150.09145	100.0
151.03943	1.4
154.05104	1.0
157.10164	1.5
159.07909	1.1
159.11641	1.9
161.05907	1.1
162.05447	1.8
162.09193	1.4
163.11195	2.1
164.07088	4.5
166.08650	8.2
170.16597	1.0
171.11685	1.2
172.03941	2.4
173.09630	1.9
173.13188	1.5
174.05466	1.3
174.09157	1.5
175.03915	6.5
175.11066	1.4
176.07007	1.9
177.05418	2.2
187.11221	1.5
190.05084	1.4
191.10655	1.1
193.04947	1.3
194.09633	1.2
204.06534	3.6
204.10255	2.8
207.06483	9.4
211.12323	1.2
213.10205	1.7
218.08252	1.4
222.07805	1.4
223.08633	1.6
225.10254	2.4
227.08282	1.4
229.61409	1.1
233.11682	1.4
235.08675	1.2
237.10223	5.2
239.11778	3.5
241.09720	2.5
249.10277	4.2
250.10980	1.6
251.08206	2.3
251.11859	3.8
253.09711	2.5
255.11447	1.6
261.10223	1.6
263.08252	2.3
263.11627	1.5
264.08994	1.8
265.09836	7.5
266.10559	1.2
267.11261	3.5
269.09219	2.9
269.12567	1.2
271.06085	2.5
271.13342	1.5
273.14819	1.3
277.09793	2.9
278.10318	2.1
279.08014	1.1
279.11197	4.9
281.09357	1.4
283.05905	1.3
283.10764	2.2
287.05460	2.0
290.10535	2.5
291.11322	2.5
293.09085	4.1
295.10889	5.1
297.12363	2.6
299.10226	1.2
299.14352	1.3
307.10718	5.7
311.10217	5.4
311.13916	1.2
313.11838	2.8
321.08539	2.2
323.10483	1.2
325.12076	2.5
326.13162	2.0
327.10107	1.1
338.13129	1.5
338.71411	1.1
339.09781	6.2
339.13553	4.3
340.14371	3.7
341.11383	2.0
341.15298	1.4
342.12247	1.8
342.16116	2.4
351.10013	1.9
352.14493	2.4
353.11389	1.5
354.16071	2.3
355.13522	1.8
356.13763	3.1
356.17572	2.1
357.10876	2.6
357.14963	1.2
358.15454	1.6
368.13803	3.0
370.15677	5.6
371.12540	1.3
372.17261	2.2
380.14117	1.7
382.15701	5.7
384.12866	1.6
384.17477	6.9
386.14951	3.4
386.19162	1.3
387.13797	1.1
388.16516	1.3
396.13828	1.2
397.14825	2.2
398.15018	6.0
400.16440	3.4
410.14862	3.1
412.16882	8.6
413.17856	1.9
414.14111	1.8
416.15707	2.1
422.15430	1.2
426.14291	4.7
428.16068	6.0
440.16080	7.1
442.17795	9.0
443.17975	3.8
444.19443	3.0
446.17050	3.1
456.15277	2.8
458.17194	6.9
459.17981	1.1
460.18509	4.6
468.15475	4.3
470.17178	3.1
472.15057	5.6
474.16083	1.1
478.15848	1.5
486.16699	26.2
487.17422	7.3
488.18210	34.4
504.17676	22.6
506.19452	2.4
518.19409	11.7
519.19995	1.9
536.20355	3.5
563.22534	1.3
564.21112	4.1
579.22565	1.3
581.23822	5.0
583.22516	1.5
589.21545	1.3
595.22559	1.7
597.23511	1.6
599.24792	7.3
607.21912	10.4
615.24768	1.4
625.22900	14.8
639.23792	3.4
643.24109	16.3
657.25739	11.3
675.28668	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	675.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01865	0.5
55.65485	0.4
57.07094	0.6
60.03597	0.4
62.06079	0.5
67.05489	1.7
69.03420	1.0
69.07054	0.8
69.31139	3.6
69.31553	0.7
70.06583	2.0
72.08144	0.6
72.79545	0.4
74.30697	0.5
79.05489	2.1
80.05013	0.9
81.03405	1.2
81.07064	1.2
82.06569	0.8
82.30779	0.4
84.08153	0.6
85.02897	1.3
91.05476	2.3
93.05775	0.9
93.07050	4.1
94.06568	5.9
95.04980	1.3
95.07346	4.1
95.08610	1.3
96.08130	8.1
97.02918	0.5
97.06525	1.7
99.04478	0.5
103.05463	1.0
105.03378	0.5
105.07044	1.0
106.06559	0.5
107.07357	0.6
107.08524	0.8
108.04459	1.0
108.08119	10.5
109.02891	0.7
110.09676	11.6
118.06548	0.9
119.04975	1.2
120.04473	0.8
120.08099	10.9
121.06574	0.6
121.10139	0.5
122.06023	6.0
122.09657	1.5
124.07610	1.2
127.03911	1.2
132.08086	0.6
135.04442	0.7
136.07578	8.7
136.08559	0.7
138.09135	15.9
140.07034	1.1
143.08577	0.6
146.05943	0.6
147.04430	1.6
148.07597	3.5
150.09155	1.7
152.10750	0.7
160.07594	0.7
164.07103	0.9
166.08650	16.7
174.09154	0.5
175.03938	1.7
199.14780	0.6
207.06587	2.9
207.09052	0.5
209.10725	0.7
211.08742	0.7
212.09619	0.5
219.09109	0.6
220.09973	0.9
221.10785	1.7
222.07874	0.5
223.08786	1.3
223.12256	0.9
224.09438	0.6
225.10243	1.5
227.11687	0.8
233.10698	0.7
234.11407	0.5
235.08603	3.4
236.09381	3.1
237.10205	7.1
238.10928	0.9
239.11850	1.8
247.08662	7.8
248.09439	5.4
249.10239	19.5
250.10979	5.4
251.08224	1.0
251.11778	5.5
252.09001	0.8
252.12613	1.1
253.09744	1.5
260.09705	0.6
261.10202	6.3
262.11063	1.9
263.08197	3.5
263.11713	3.4
264.08978	3.6
264.12692	0.6
265.09711	8.8
265.12405	0.8
266.10510	2.2
267.11295	3.2
271.06064	2.0
275.08228	2.2
276.08951	5.7
277.09717	17.2
278.10544	7.8
279.07974	1.1
279.11252	13.3
280.12006	1.5
281.09311	1.0
281.12885	1.2
283.10730	1.1
289.09723	3.3
290.10529	1.3
291.07709	1.4
291.11310	5.2
292.08429	1.3
292.11874	0.8
293.09308	3.5
293.12885	7.0
294.09991	1.7
295.10812	3.6
295.14023	0.8
296.11713	1.2
297.12451	1.0
300.11264	0.6
301.12341	0.8
302.12839	0.8
303.07751	1.2
303.13925	0.6
304.08435	3.3
305.09198	7.2
305.12524	0.6
306.09888	2.8
307.10754	10.2
308.08041	0.7
308.11295	1.2
309.08783	1.6
309.12390	6.6
310.13275	1.4
311.10333	0.8
311.14145	1.1
312.11386	1.1
312.15024	0.5
313.12537	1.0
314.12808	1.7
314.16238	0.5
316.10849	0.9
316.14478	0.7
319.10739	13.0
320.11285	0.6
321.08789	0.9
321.12271	6.3
322.13419	0.7
323.10254	2.4
323.13910	0.8
324.11304	1.5
324.14981	1.2
325.12030	2.3
326.13031	2.1
327.10223	0.8
327.13608	4.3
328.11002	0.8
328.14447	2.9
329.11807	1.0
329.15375	1.2
330.12311	0.6
330.15942	1.1
332.07849	1.2
333.08606	4.0
335.10254	2.7
336.11151	0.9
337.11865	2.6
338.12909	1.8
339.13535	12.7
340.10916	1.8
340.14508	1.8
341.11694	1.8
342.12430	4.5
342.16019	2.8
343.13211	1.0
344.13977	1.8
344.17645	1.0
345.14929	0.6
347.10175	5.1
351.09848	4.5
351.13611	1.0
352.10837	0.7
352.14502	4.0
353.11261	3.8
353.15372	0.8
354.12332	4.6
354.16040	1.3
355.12991	4.1
356.10181	0.6
356.13983	6.8
356.17886	1.0
357.14899	2.7
358.11649	0.7
358.15616	2.1
365.11304	18.3
366.12015	3.8
367.13107	1.6
368.10397	1.8
368.14093	1.9
369.11145	2.1
369.14758	1.7
370.11716	2.1
370.15573	5.3
371.12396	0.7
371.16367	1.6
372.13019	1.1
372.17142	2.5
374.14984	1.1
380.13928	7.6
381.15042	0.8
382.11514	6.2
382.16403	3.1
383.12491	4.1
384.13351	7.7
384.17474	0.9
385.13870	2.6
385.18362	0.8
386.14859	1.8
386.19040	1.0
387.15860	0.9
388.16763	1.1
395.12766	0.9
396.13364	3.1
397.14346	2.2
398.15021	12.9
398.20047	0.8
399.15872	3.0
400.16769	6.6
402.14511	2.1
408.13339	2.1
410.15341	2.6
411.11862	0.9
412.12662	5.9
413.13287	0.8
414.14093	1.3
414.18307	1.9
415.15332	1.3
416.15933	3.3
417.16919	1.0
418.17493	0.6
425.13718	1.3
426.14468	15.3
428.16006	8.0
429.17154	1.0
430.13663	1.1
431.14392	0.6
432.19342	1.7
440.16162	0.7
442.13589	1.6
442.17868	2.1
443.15210	0.9
444.14944	4.4
446.16666	0.8
447.18677	0.6
454.13992	25.3
458.17163	1.3
460.14691	2.6
460.19220	2.4
462.20288	1.6
472.14966	51.5
473.15475	1.1
474.16650	2.9
486.16626	2.5
488.18176	0.8
490.15216	0.6
490.20990	2.6
492.17294	10.8
500.18243	3.7
504.17838	6.8
514.17285	1.1
518.19226	100.0
519.19952	14.4
520.20856	2.7
522.18372	0.6
536.20294	14.8
537.20807	0.8
579.22485	0.8
581.24109	0.6
589.20569	0.7
597.23315	0.7
607.21777	7.0
611.24927	1.5
625.22919	45.1
626.22833	1.5
629.26111	1.4
639.24426	6.8
643.24005	9.1
657.25562	23.8
658.26550	0.8
675.26526	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	675.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.05499	0.9
57.03419	0.7
67.05510	1.5
69.03436	0.9
69.07072	0.7
70.06596	1.2
70.92509	1.3
71.05033	0.6
79.05473	1.1
81.03450	0.8
81.07065	1.2
85.02934	1.2
86.09747	0.8
91.05503	1.6
91.17189	0.6
93.07069	1.6
95.04942	0.7
95.08603	1.2
97.10186	0.6
105.03430	0.8
105.07048	0.9
107.08582	1.4
109.10172	0.8
115.01041	0.6
116.10743	0.6
117.07051	0.8
119.08593	0.9
120.08149	0.6
121.10210	1.2
127.03974	0.7
133.10175	1.6
135.19916	0.5
149.06183	0.6
159.11742	0.6
175.03900	1.1
224.00832	2.3
225.01643	0.6
241.04747	0.9
271.10812	0.9
284.34592	0.6
285.07813	1.0
289.11835	2.1
309.07330	1.1
327.08417	25.5
371.14676	11.8
387.15646	0.9
397.12585	1.0
415.17331	0.8
460.27740	0.7
478.28589	1.2
605.00696	0.6
675.24152	100.0
676.24371	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	674.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.6
55.05516	16.2
57.03430	6.5
59.04990	2.1
61.02921	5.1
65.03935	4.5
67.05504	32.1
69.03418	5.6
69.07056	10.4
69.42668	9.9
69.43073	4.2
69.61908	1.7
70.06596	5.0
71.04978	4.9
79.05485	28.4
79.11437	1.8
81.03420	12.7
81.07059	37.5
83.04964	10.2
83.08619	13.0
85.02897	9.6
85.06562	2.7
91.03962	4.3
91.05479	27.0
93.07043	23.5
94.06552	2.0
94.40456	2.1
95.04975	16.3
95.08611	18.1
96.08163	2.5
97.02895	7.1
97.06535	5.7
97.10178	11.0
98.20805	3.8
99.04468	3.6
103.05460	2.7
104.05093	1.8
105.03422	1.8
105.07030	15.9
107.04953	6.7
107.08585	16.8
108.08158	2.9
109.02900	4.6
109.06525	7.1
109.10137	14.4
110.09682	4.4
111.04440	6.1
111.08086	4.5
116.06209	2.5
117.07027	10.3
119.04929	3.2
119.08594	13.3
119.20848	1.7
120.08110	6.2
121.02879	1.9
121.06539	6.1
121.10152	7.4
123.04449	1.9
123.08057	3.1
123.11716	2.6
125.09654	12.3
125.10420	2.6
127.03941	3.1
129.07005	8.1
131.08600	12.6
133.06482	4.0
133.10126	18.2
135.08032	5.5
135.11685	7.1
136.07623	2.7
137.09660	3.7
138.09134	4.6
141.06970	3.0
143.08569	6.7
145.06467	4.1
145.10132	10.5
147.04416	3.4
147.08060	4.8
147.11708	3.4
149.05948	2.0
149.09668	3.4
149.13251	2.9
151.11220	3.1
153.09114	2.1
153.12679	2.2
155.08565	3.9
157.06467	2.1
157.10120	7.7
159.08072	3.6
159.11681	6.9
161.05991	2.6
161.09637	3.9
163.11195	10.2
166.08650	6.0
169.10107	3.9
171.08151	3.7
171.11665	3.7
173.09692	4.3
173.11720	2.4
175.03862	2.9
175.07622	2.2
175.11206	2.3
181.10268	2.2
181.12167	1.9
183.11670	2.2
184.07349	2.8
187.14789	3.2
189.11249	5.4
191.10669	3.8
193.12282	4.9
195.11592	3.0
197.13301	4.5
199.11140	2.2
203.14409	2.3
207.06561	2.3
215.14351	2.5
217.12344	2.0
227.12738	5.8
231.13722	2.6
233.15460	6.0
237.10173	4.6
238.10548	2.2
249.10262	5.0
250.10652	3.4
255.11096	3.0
255.13579	2.6
264.08917	2.5
265.09427	4.6
266.10303	3.5
267.11371	2.5
269.17487	5.9
273.14731	3.4
277.09778	3.9
279.11328	4.0
280.11520	3.6
283.15472	8.9
293.09238	10.7
294.09702	5.6
306.09824	3.4
339.13440	2.6
339.23013	2.1
340.13928	2.2
349.21463	2.2
351.09714	4.1
352.09964	4.1
357.24191	3.5
367.22733	11.4
369.14560	3.0
385.23734	22.0
398.14624	2.6
403.24884	8.6
431.27805	4.4
441.26288	3.7
447.17419	3.2
457.15482	2.9
459.27402	94.4
460.27725	5.1
477.28503	100.0
478.28833	5.3
479.19785	3.7
495.29352	7.9
510.22430	2.3
522.22406	4.0
550.21692	5.8
551.22498	27.7
552.22906	39.6
553.23425	3.2
578.70197	2.0
610.22809	2.1
642.26666	5.8
675.22766	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	674.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.01858	1.8
55.05508	6.3
57.03411	2.6
57.07059	1.5
61.02903	2.2
62.06072	0.8
63.38220	0.7
67.05508	6.7
69.03431	9.5
69.07073	6.6
70.06579	2.6
70.22748	3.0
71.04974	1.0
71.07340	1.1
71.08629	7.7
72.08151	3.9
73.02895	2.8
79.05483	4.1
81.03421	8.4
81.07059	9.6
83.04961	1.2
83.08621	6.3
84.08124	2.1
85.02914	9.2
86.06070	26.5
86.09650	0.7
87.00822	2.8
87.04467	0.7
91.05451	2.5
93.07030	6.8
94.10332	0.7
95.04964	1.1
95.06095	1.2
95.07320	0.9
95.08613	6.5
96.08141	4.7
97.02882	6.0
97.06522	1.8
97.10130	1.9
98.06057	1.6
98.09689	13.4
99.04451	4.9
99.08089	7.5
100.07630	0.7
105.07015	2.8
107.08598	5.9
107.86153	0.8
108.08126	3.8
109.02878	8.4
109.10162	5.6
110.09688	1.4
110.10461	1.0
111.08028	1.7
114.09173	1.7
116.10728	75.0
117.07068	0.9
117.08354	0.8
117.10996	0.9
119.08590	2.3
121.08881	1.4
121.10134	2.8
122.09666	3.7
123.11662	1.4
124.07590	1.1
125.09686	0.8
127.03908	14.5
129.01833	1.2
131.08540	1.4
133.10114	3.1
135.11705	2.2
136.11200	0.8
137.91707	0.7
138.09100	1.0
140.10645	2.0
142.12256	2.1
143.10660	3.1
145.04961	2.1
145.10175	1.0
147.04301	0.8
147.11664	1.4
148.84938	0.7
149.02322	2.7
149.13252	6.1
152.10713	1.1
154.15897	0.7
159.02922	1.9
159.11739	1.2
166.15988	1.0
167.14275	1.6
187.05971	1.6
191.17885	0.7
193.05087	2.2
196.17029	2.7
213.03760	1.5
214.18010	52.4
215.18286	1.0
216.06381	0.9
217.19377	0.9
225.11122	0.8
231.04990	2.5
231.15923	2.7
238.18076	1.5
239.16422	3.3
243.12289	1.0
246.83824	0.8
256.19022	0.9
257.17361	5.0
268.22656	0.9
274.21527	1.0
280.22815	0.9
292.22720	3.8
303.14310	1.1
310.23755	24.4
328.24817	100.0
329.12302	1.4
329.25082	2.2
337.71677	0.7
347.13156	2.8
408.31183	3.4
418.24295	1.5
426.32120	18.7
445.17990	0.8
462.23306	17.3
469.14938	1.2
477.28290	1.8
482.15582	1.3
483.16611	1.3
490.30176	3.1
496.17661	0.9
497.18188	5.2
532.31226	6.7
545.73303	0.9
554.58148	0.8
555.17877	0.8
558.28955	3.8
576.30121	67.2
577.30670	2.3
630.38300	2.0
643.23596	1.6
674.37317	13.6
674.48004	0.8
675.26678	16.5
675.37524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.01858	1.8
55.05508	6.3
57.03411	2.6
57.07059	1.5
61.02903	2.2
62.06072	0.8
63.38220	0.7
67.05508	6.7
69.03431	9.5
69.07073	6.6
70.06579	2.6
70.22748	3.0
71.04974	1.0
71.07340	1.1
71.08629	7.7
72.08151	3.9
73.02895	2.8
79.05483	4.1
81.03421	8.4
81.07059	9.6
83.04961	1.2
83.08621	6.3
84.08124	2.1
85.02914	9.2
86.06070	26.5
86.09650	0.7
87.00822	2.8
87.04467	0.7
91.05451	2.5
93.07030	6.8
94.10332	0.7
95.04964	1.1
95.06095	1.2
95.07320	0.9
95.08613	6.5
96.08141	4.7
97.02882	6.0
97.06522	1.8
97.10130	1.9
98.06057	1.6
98.09689	13.4
99.04451	4.9
99.08089	7.5
100.07630	0.7
105.07015	2.8
107.08598	5.9
107.86153	0.8
108.08126	3.8
109.02878	8.4
109.10162	5.6
110.09688	1.4
110.10461	1.0
111.08028	1.7
114.09173	1.7
116.10728	75.0
117.07068	0.9
117.08354	0.8
117.10996	0.9
119.08590	2.3
121.08881	1.4
121.10134	2.8
122.09666	3.7
123.11662	1.4
124.07590	1.1
125.09686	0.8
127.03908	14.5
129.01833	1.2
131.08540	1.4
133.10114	3.1
135.11705	2.2
136.11200	0.8
137.91707	0.7
138.09100	1.0
140.10645	2.0
142.12256	2.1
143.10660	3.1
145.04961	2.1
145.10175	1.0
147.04301	0.8
147.11664	1.4
148.84938	0.7
149.02322	2.7
149.13252	6.1
152.10713	1.1
154.15897	0.7
159.02922	1.9
159.11739	1.2
166.15988	1.0
167.14275	1.6
187.05971	1.6
191.17885	0.7
193.05087	2.2
196.17029	2.7
213.03760	1.5
214.18010	52.4
215.18286	1.0
216.06381	0.9
217.19377	0.9
225.11122	0.8
231.04990	2.5
231.15923	2.7
238.18076	1.5
239.16422	3.3
243.12289	1.0
246.83824	0.8
256.19022	0.9
257.17361	5.0
268.22656	0.9
274.21527	1.0
280.22815	0.9
292.22720	3.8
303.14310	1.1
310.23755	24.4
328.24817	100.0
329.12302	1.4
329.25082	2.2
337.71677	0.7
347.13156	2.8
408.31183	3.4
418.24295	1.5
426.32120	18.7
445.17990	0.8
462.23306	17.3
469.14938	1.2
477.28290	1.8
482.15582	1.3
483.16611	1.3
490.30176	3.1
496.17661	0.9
497.18188	5.2
532.31226	6.7
545.73303	0.9
554.58148	0.8
555.17877	0.8
558.28955	3.8
576.30121	67.2
577.30670	2.3
630.38300	2.0
643.23596	1.6
674.37317	13.6
674.48004	0.8
675.26678	16.5
675.37524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30920	0.6
52.92778	0.5
55.05507	2.9
55.77622	0.6
57.03429	3.2
57.07075	31.6
59.33869	0.8
60.42515	0.5
61.02929	13.7
63.25507	0.6
63.68622	0.5
67.05510	10.3
69.03425	1.6
69.07070	6.7
71.04990	0.6
71.08631	27.8
73.02927	3.9
75.04475	2.4
81.03423	1.2
81.07050	12.3
83.08616	10.2
85.02905	16.6
85.10181	16.3
89.06010	0.9
91.03955	13.1
93.07031	1.2
95.08610	19.9
97.02890	6.7
97.10180	4.4
98.20786	1.4
99.04425	0.8
99.11759	1.4
103.07623	0.7
109.10163	10.5
111.11732	0.8
112.10430	0.8
115.03935	1.0
123.11714	4.2
125.13280	1.0
127.03925	5.4
137.13239	1.8
141.37831	0.7
145.04967	8.5
151.14896	0.8
163.06015	13.8
165.06439	0.7
178.79103	0.7
201.80972	0.6
239.23680	23.9
257.24695	3.3
298.27554	0.8
313.27365	100.0
314.27734	1.9
331.28430	38.5
336.54507	0.7
337.50623	0.7
422.78711	0.6
475.32468	0.7
624.23145	0.7
633.38287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69110	0.3
55.01859	1.3
55.05507	1.6
56.80706	0.3
57.03416	1.2
59.04973	0.4
61.02901	0.8
62.06073	0.6
65.03932	0.4
67.05506	3.3
68.99766	0.7
69.03093	0.4
69.03430	6.8
69.07072	2.7
70.06593	1.8
71.04972	1.0
71.53110	0.5
72.08150	0.7
73.02928	1.7
79.05493	2.0
81.03416	6.5
81.05775	0.3
81.07053	4.9
82.06568	0.6
83.04971	0.7
83.08630	0.7
84.04492	0.4
84.08115	0.8
85.02902	7.6
85.06528	1.1
86.06068	9.0
86.09686	0.4
87.00828	2.2
87.04480	1.9
91.05466	3.7
93.07040	2.2
94.06558	0.3
95.04968	1.3
95.08609	2.8
96.08122	3.5
97.02312	0.3
97.02895	4.1
97.06532	1.6
97.10160	0.4
98.06049	2.3
98.09664	1.4
99.04455	3.2
99.08034	0.3
100.07611	0.3
101.02352	0.3
103.03930	0.6
103.05444	0.4
105.01857	1.1
105.03381	0.7
105.07033	2.7
107.04919	0.8
107.08601	1.8
108.08125	2.3
109.02874	5.9
109.06506	1.3
109.10155	2.0
110.06004	0.6
110.07195	0.4
110.09664	0.8
111.04499	0.3
111.08066	0.5
112.07570	0.6
116.10726	4.2
117.07023	0.4
119.04896	0.8
119.08580	2.3
120.08106	0.6
121.02851	0.8
121.06493	0.4
121.08869	0.4
121.10127	1.2
122.09641	1.0
122.10443	0.3
123.08038	0.6
123.11693	1.2
124.07585	2.6
125.05968	0.5
126.09168	0.4
127.03918	6.5
128.04269	0.3
128.07089	0.6
128.47972	0.3
129.01840	0.5
129.05492	0.4
129.07018	0.9
131.08521	1.2
133.10136	2.0
134.09636	0.7
135.04390	0.3
135.08072	0.3
135.11731	0.4
136.07527	0.3
136.11230	0.6
137.05925	0.5
138.09137	1.5
140.10710	0.6
141.09071	0.5
142.07608	0.4
142.08647	7.1
145.04938	1.2
145.10086	0.7
146.09659	0.4
147.04367	0.7
147.11693	2.8
148.11176	0.5
149.05923	0.3
149.09607	0.9
150.09149	0.3
151.03955	0.6
151.11179	2.0
152.10715	1.5
154.12291	1.3
157.10117	1.1
159.02907	1.3
159.07957	0.4
163.11150	0.4
164.14343	1.1
165.09111	0.5
165.12762	0.8
166.12338	0.5
167.07048	0.5
170.11723	0.4
174.12729	1.7
175.03899	1.2
175.11182	1.4
177.05490	0.5
177.12660	0.4
178.04967	0.8
178.91876	0.3
184.07272	0.4
192.13832	4.9
193.12216	0.8
194.15443	2.3
196.16977	0.4
205.97594	0.3
207.06580	1.7
208.16936	0.7
209.11739	0.4
210.14894	1.2
210.18445	0.4
212.16454	37.1
213.03819	0.4
213.16801	0.7
229.14319	1.3
231.04936	0.6
236.16475	7.7
240.16080	0.5
254.17508	100.0
255.13785	0.4
255.17892	2.6
271.06012	0.4
287.05487	0.8
291.94403	0.3
296.18430	0.3
302.06909	0.4
303.05130	0.3
326.23322	0.6
340.12634	0.5
361.23718	1.0
369.11902	0.3
386.34183	0.3
404.27945	1.4
416.22787	11.6
417.22989	0.5
422.28998	7.0
423.28918	0.4
435.30011	0.3
455.26675	0.8
458.24371	0.4
460.21777	41.9
461.22107	1.4
473.92337	0.3
502.22797	4.4
507.49249	0.3
626.35468	1.7
670.22986	0.5
670.34271	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	667.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51056	0.4
64.17154	0.5
67.05491	1.0
69.51025	2.6
69.51447	1.3
81.03413	1.0
81.07053	0.8
105.07007	0.5
117.09724	0.5
118.39932	0.5
126.41666	0.4
128.91672	0.4
146.20862	0.4
177.67844	0.5
197.02107	1.0
198.02861	4.7
212.04451	1.0
224.08099	0.9
225.01445	0.6
225.05305	1.2
225.08997	0.5
230.01903	1.1
239.03130	1.0
239.06844	0.7
251.06909	0.8
253.04907	0.6
253.08444	0.7
267.06293	22.6
268.07047	10.6
269.07846	11.6
269.10565	0.8
281.07825	4.1
282.08640	7.0
285.07336	1.0
297.07510	1.4
308.09018	1.6
311.08893	1.2
314.07571	3.8
337.14072	16.6
339.12024	3.9
353.13583	10.0
354.14282	4.2
371.14758	3.2
386.13434	1.8
400.38400	0.6
423.17883	1.3
581.21875	0.6
598.21826	1.0
599.22540	16.5
599.32251	0.8
600.22864	0.8
667.28760	100.0
668.29211	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24720	0.2
53.03943	0.2
55.05500	0.3
64.79340	0.2
65.03931	0.3
67.01835	0.2
67.05489	0.5
68.99774	0.4
69.03416	0.7
70.06581	0.8
70.07372	0.2
71.04991	0.2
77.03912	0.4
79.05488	0.4
81.03423	1.5
81.07042	0.6
85.02889	0.8
85.06535	0.2
91.04906	0.2
91.05479	5.0
93.07041	0.5
95.04945	0.5
95.08598	0.5
95.49505	0.2
97.02879	0.5
97.41369	0.2
98.97194	0.2
103.05429	0.3
105.07001	0.5
107.04978	0.3
107.08583	0.3
109.02846	0.8
109.06500	0.3
109.10152	0.5
119.04115	0.4
119.04936	6.9
119.08581	0.5
120.08110	0.2
121.02882	0.3
121.10138	0.3
122.86092	0.2
123.11727	0.2
127.03853	0.4
131.08557	0.2
133.02901	0.3
135.04440	0.3
135.11661	0.3
136.06195	0.4
137.05894	0.2
141.46729	0.2
145.10086	0.3
147.04407	6.1
149.02228	0.2
149.06010	0.8
150.59523	0.2
151.03906	0.7
153.01820	2.3
157.03964	0.6
160.01570	0.2
161.05917	0.2
167.07091	0.3
171.02872	1.1
174.09108	0.2
175.03908	12.4
176.04210	0.4
176.06972	0.2
177.05383	0.2
177.16359	0.2
179.03328	0.3
179.06978	0.5
192.04137	0.5
207.06519	30.9
208.06860	0.7
219.06477	0.4
229.04872	0.4
233.07991	0.4
241.08743	0.2
255.06464	0.4
258.05240	13.5
259.05597	0.3
269.04428	0.3
271.06064	0.3
285.07504	0.3
286.04709	34.2
287.05063	0.8
301.07050	100.0
302.07443	2.3
324.20135	0.3
351.10721	2.6
369.11835	1.0
403.29410	0.2
497.94666	0.2
669.17773	0.4
669.30750	0.2
670.67224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12252	0.4
52.95974	0.5
54.14148	0.5
55.05503	0.8
55.32429	0.4
57.07060	0.9
60.68574	0.5
67.05502	1.8
69.07079	0.5
69.70592	2.8
71.08659	0.6
79.05497	1.2
81.03425	1.4
81.07057	1.5
85.10150	0.7
91.05499	1.1
93.07034	1.0
94.03954	1.6
95.04977	1.5
95.08615	1.7
107.08590	0.5
109.02888	0.5
123.04427	0.8
147.11554	0.5
197.02092	2.3
198.02901	5.6
198.72763	0.5
225.01668	0.8
225.05267	0.7
230.01926	1.0
235.13371	1.0
239.06947	0.5
240.07672	3.0
253.04758	0.5
268.07053	11.8
269.07816	11.1
269.10492	0.7
300.63202	0.6
301.14371	1.2
313.27460	1.2
318.24524	0.6
325.14069	5.1
337.14056	17.6
338.14594	0.7
353.13589	55.2
354.14023	1.1
373.36627	0.5
527.17059	0.8
547.39435	0.6
549.82520	0.5
598.21552	3.0
599.22430	10.3
667.28741	100.0
668.29071	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	667.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.4
63.04055	0.3
70.06586	0.3
71.52301	0.6
71.76154	0.4
74.02438	0.7
83.42870	0.3
91.05482	0.6
101.27599	0.4
115.05467	0.8
117.05756	0.7
117.06989	0.9
118.06537	16.0
119.06894	0.4
121.02935	0.7
130.06517	1.3
132.08093	4.6
142.06540	1.7
143.07291	2.4
144.07236	0.3
144.08081	12.6
146.06007	60.0
147.06337	0.7
159.09164	6.3
160.07542	1.1
170.05991	4.2
188.07063	100.0
189.07414	1.6
205.09721	44.1
206.10223	0.4
369.01486	0.4
647.83527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08491	0.9
64.10261	0.8
67.05509	1.5
69.66653	0.7
71.44270	1.4
79.05446	0.8
81.07082	0.9
91.79832	0.7
92.32656	0.9
94.03963	1.9
96.60998	1.0
109.10152	1.1
130.92534	0.9
133.79607	0.9
147.98149	1.0
197.02168	2.7
198.02940	4.0
213.43958	0.9
225.01576	0.9
230.01976	2.0
240.07813	2.0
268.07065	11.8
269.07843	12.9
325.14066	5.9
337.14124	17.9
353.13608	66.8
354.14142	1.7
355.12582	0.9
432.33783	0.9
598.21570	1.5
599.22467	9.2
635.25146	1.1
667.28790	100.0
668.29065	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	666.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.9
53.03934	3.7
55.01863	3.0
55.05506	8.8
57.03434	4.0
57.07048	1.4
59.04973	0.9
60.04518	0.7
61.02914	2.8
65.03933	1.2
66.71772	0.6
67.05502	23.8
68.99786	1.2
69.03429	16.8
69.07064	11.4
70.06593	5.4
71.04997	3.7
71.08616	0.8
71.53434	1.2
72.08136	2.1
73.02909	3.7
74.06087	0.9
75.76138	0.6
77.03839	0.6
79.05489	12.9
81.03415	23.2
81.07053	51.1
82.07378	0.9
83.01308	0.7
83.04958	2.4
83.08613	5.5
84.08139	1.4
85.02903	40.3
85.06532	1.8
86.09690	1.0
87.00824	13.3
91.03951	0.9
91.05475	18.4
92.05802	0.7
93.07040	38.7
95.04965	6.8
95.08604	56.9
97.02299	1.1
97.02890	16.3
97.06545	1.0
97.10152	3.1
99.04449	6.6
99.08078	1.3
100.17152	0.7
103.05486	0.8
105.01862	19.9
105.03383	1.4
105.07030	50.2
107.04936	1.9
107.08588	53.5
109.02878	15.6
109.06509	2.3
109.10152	49.0
110.03232	0.7
111.04420	1.0
111.08078	1.7
111.11699	1.1
115.03869	0.8
116.07070	4.8
117.01826	1.4
117.07011	2.4
119.04927	1.1
119.08581	40.9
120.08059	1.1
121.02792	0.8
121.06517	1.9
121.10139	21.3
123.08040	1.6
123.11700	15.1
125.09620	2.9
127.03912	29.4
128.04312	0.6
128.06232	0.7
129.01807	0.9
129.07005	1.6
131.08569	3.6
133.02866	1.1
133.06496	0.7
133.10121	25.9
135.04454	1.4
135.11685	16.3
136.06178	56.5
137.04581	0.9
137.05945	0.9
137.09593	0.8
137.13199	0.8
139.43440	0.6
143.08603	0.8
145.04953	12.4
145.06258	0.8
145.06465	0.7
145.10126	4.0
147.02859	1.1
147.04411	2.7
147.11682	47.5
149.09630	1.1
149.13248	2.3
151.11176	2.5
153.12723	0.8
157.10091	2.1
159.02878	6.1
159.08009	0.8
159.11700	3.0
161.09616	0.8
161.13248	17.0
162.05508	0.7
163.14824	9.7
165.12758	3.0
167.07072	0.9
169.10068	0.9
171.11687	1.0
173.09660	0.9
173.13293	1.2
175.03871	2.1
175.07338	0.6
175.11148	0.9
175.14803	9.7
176.07021	0.7
176.25493	0.6
177.05490	1.2
177.16321	1.6
183.11595	0.9
189.03978	0.9
189.16338	1.1
193.05013	4.1
193.12244	1.8
194.05301	2.1
196.03404	0.7
201.16414	1.8
202.16972	0.7
203.17949	100.0
204.18236	0.9
207.06514	2.5
213.03914	2.7
215.18001	1.0
218.08165	1.3
219.08536	0.8
219.17426	0.8
221.19002	7.8
231.04953	8.5
249.06068	4.5
255.13794	1.5
256.14093	0.7
267.15878	4.3
271.05884	1.4
285.07489	0.7
286.07303	0.6
287.05515	0.8
311.20004	0.7
347.22049	1.4
382.11731	0.7
382.30298	0.7
400.30411	0.8
418.14862	1.0
459.27777	1.0
612.34070	4.6
630.34943	10.7
641.45819	0.7
648.35919	1.6
666.37640	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31380	2.0
53.03924	1.9
55.05507	14.3
55.86448	1.7
57.07078	3.7
59.04995	6.2
65.03970	2.4
67.05509	21.8
69.07069	17.0
71.04980	2.9
79.05505	8.9
81.07056	18.1
83.08620	5.8
85.06541	8.5
91.05477	11.1
93.07050	9.5
95.04971	1.9
95.08609	14.7
97.06494	3.2
97.10155	2.6
103.05460	3.8
105.07040	4.3
107.04938	1.9
107.08577	5.7
109.06544	1.6
109.10146	8.1
111.11732	2.7
112.08816	1.8
115.03919	3.5
115.05482	2.1
117.07029	3.4
119.04919	3.8
119.08573	5.1
121.06488	2.4
121.10152	5.2
123.11691	5.1
127.03890	6.2
128.06270	2.2
129.07065	2.9
131.04895	11.2
131.08528	3.4
133.06497	2.1
133.10132	2.2
141.07233	1.6
145.10144	3.4
147.04393	10.5
147.11656	2.4
159.04442	13.9
159.11653	2.5
161.05986	2.1
163.03860	4.3
170.07170	1.7
171.04414	3.2
173.06003	4.4
175.03909	100.0
177.05469	10.9
187.03911	43.7
187.07523	2.8
189.05461	11.4
199.03877	15.1
199.07646	2.6
200.04669	2.0
201.05428	8.0
203.03394	5.2
203.07037	2.9
211.07703	2.2
213.05441	7.1
213.09068	3.5
215.07025	6.8
217.08618	2.0
226.06203	5.2
227.07039	6.7
228.07732	3.5
229.08595	31.0
231.10141	12.3
238.54788	1.8
239.07074	2.3
241.08633	36.0
243.10181	32.8
245.08054	18.2
247.09665	40.3
253.08679	3.6
255.10172	2.3
259.09628	11.5
295.13303	13.7
313.14319	39.9
315.34421	2.0
331.15329	7.8
483.01807	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	665.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	9.4
57.03430	1.5
57.07071	5.2
59.05005	2.4
65.03946	4.7
67.05505	19.5
69.07082	9.1
69.45027	9.6
69.45447	2.1
70.06593	1.9
71.04984	2.3
73.09505	1.6
79.05492	5.8
81.07072	11.3
83.08616	3.9
85.06551	9.0
91.05479	9.4
93.07039	5.5
93.16522	1.5
95.08589	11.7
97.06521	2.0
105.07040	4.0
107.04870	1.8
107.08593	3.5
109.10144	5.3
112.98357	1.8
115.05469	1.9
119.04950	3.1
119.08592	2.3
121.10133	5.1
123.11749	1.8
129.07039	1.8
131.04933	9.3
131.08568	1.7
133.10146	2.9
135.11749	1.7
145.06517	1.8
145.10162	2.3
147.04407	15.8
155.08577	2.0
159.04445	11.1
163.03952	5.6
171.04385	2.5
173.05971	2.5
175.03915	100.0
177.05435	11.7
183.78300	1.6
185.06012	3.1
187.03912	36.3
189.05489	12.3
195.08194	2.7
198.06761	1.6
199.03957	9.2
199.07666	2.2
201.05473	5.8
203.03288	2.5
203.07071	4.8
212.04698	2.0
213.05481	9.5
215.07062	4.5
216.06738	1.5
217.08691	3.3
226.06198	9.5
227.07007	4.4
228.07883	2.3
229.08629	24.9
231.10242	8.6
241.08615	22.8
243.10164	23.6
245.08105	8.0
247.09642	25.3
253.08696	2.5
255.10155	2.6
259.09775	7.7
285.06140	1.7
295.13269	6.4
313.14413	23.8
331.15359	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	665.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61493	0.6
65.03944	0.8
67.05493	1.5
69.03403	0.6
69.07073	5.5
69.83161	1.0
69.83551	1.7
85.06530	1.1
89.38950	0.7
91.05479	3.4
95.08614	1.0
117.33908	0.5
119.04961	0.9
121.42333	0.6
147.04399	7.5
159.04413	1.9
163.03902	2.8
173.05954	0.7
175.03903	100.0
176.04346	1.1
187.03877	6.2
187.07539	2.5
189.05519	1.2
201.05434	4.3
203.07001	0.7
216.06483	0.7
229.08604	30.8
247.09659	86.0
254.15398	0.7
261.04166	0.6
265.10626	1.8
348.30386	0.7
376.62964	0.6
382.21243	0.6
514.72357	0.6
552.37280	0.7
585.04004	0.7
586.87683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01860	2.1
55.05511	15.9
57.07061	5.7
58.86258	1.8
59.04985	4.9
65.03918	3.2
67.05505	22.8
69.07069	22.4
69.55470	9.9
79.05494	9.4
81.07061	21.7
83.04949	2.1
83.08604	6.0
85.06547	8.6
91.05495	11.1
91.22975	2.0
93.07041	8.3
95.04954	4.8
95.08604	20.4
97.10165	3.3
105.07048	9.4
107.08576	5.9
109.10185	8.9
115.03971	4.3
117.07059	2.2
118.23104	1.7
119.04945	3.9
119.08557	4.4
121.10143	4.3
123.11685	4.9
127.03874	6.0
128.06239	2.5
131.04955	9.3
131.08513	1.9
133.06485	3.6
133.10156	5.2
135.11691	2.4
137.13194	2.3
143.08578	2.1
145.06541	2.3
145.10118	2.4
147.04402	15.6
147.11848	2.1
155.08534	2.3
159.04436	11.4
159.11642	3.1
161.05968	1.8
163.03917	7.5
169.06537	2.1
173.05959	4.7
175.03914	100.0
177.05461	10.9
184.07417	1.9
187.03906	41.2
187.07576	3.6
189.05499	12.3
193.44313	1.9
199.03882	9.7
199.07596	2.6
201.05478	10.3
203.03352	4.2
203.07018	4.8
213.05452	12.8
215.07033	6.0
217.04749	1.9
217.08682	4.3
226.06213	5.0
227.06978	5.1
229.08597	32.7
231.10188	15.8
239.07071	5.0
241.08623	35.6
243.10205	32.4
245.08060	17.2
247.09669	51.8
253.08507	7.8
255.10100	5.8
259.09637	11.9
295.13220	12.9
313.14349	51.9
317.24683	2.7
331.15427	11.5
613.65356	2.0
647.39343	3.0
665.41357	3.0
676.20679	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	665.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17526	0.1
53.03931	0.2
55.01857	0.2
55.05494	0.2
57.03431	0.2
57.19721	0.1
58.06593	0.1
65.03946	0.2
67.01863	0.5
67.05490	0.4
68.99494	0.1
68.99775	0.4
69.03427	1.1
69.07059	0.2
70.06595	0.6
71.05006	0.7
71.51827	0.1
71.52205	0.1
73.02938	0.1
79.05518	0.2
81.03416	0.6
81.07052	0.4
83.04991	0.6
84.08136	0.3
85.02901	1.5
86.09714	0.2
87.00820	0.4
87.04469	0.1
91.05491	0.9
93.07034	0.3
95.04975	0.2
95.08607	0.4
96.51447	0.1
97.02875	0.5
97.06544	0.2
99.04453	0.3
101.06005	0.1
103.05376	0.1
105.01836	0.2
105.03381	0.3
105.07041	0.5
107.04943	0.3
107.08586	0.3
109.02877	0.9
109.06517	0.1
109.10150	0.3
110.07166	0.1
111.00830	0.1
111.04424	0.4
119.04948	2.1
119.08635	0.2
120.08132	0.1
121.02877	0.9
121.06512	0.3
121.10162	0.2
123.04449	0.1
123.08062	0.1
127.03903	0.9
127.11172	0.2
129.01781	0.2
129.05522	0.5
131.04985	0.1
131.08571	0.1
133.02847	0.3
133.06491	0.1
133.10136	0.3
134.09692	0.1
135.04420	0.2
137.05971	0.2
141.06947	0.1
145.02829	0.6
145.04933	0.2
145.06415	0.1
145.10136	0.3
147.04408	0.8
147.08026	0.2
147.11551	0.1
149.05972	0.1
151.03920	0.4
153.01830	4.4
157.06454	0.1
159.11769	0.1
161.05968	0.2
161.09601	0.2
162.09163	0.1
163.03963	0.6
163.11147	0.1
167.07068	0.7
171.02914	0.9
171.08099	0.2
173.05984	0.1
173.09676	0.3
173.13181	0.1
175.03906	0.6
177.01849	0.2
177.05501	0.2
179.03445	0.1
179.07156	0.1
181.05019	0.1
181.06523	0.1
187.03900	0.1
187.07442	0.1
187.11160	0.1
189.09132	0.2
195.02863	0.5
199.11220	0.1
201.09026	0.1
203.07005	0.1
207.06508	1.2
213.09045	0.2
213.12599	0.1
215.05417	0.2
215.10728	0.3
219.02922	0.2
225.05511	0.3
227.10782	0.1
227.14294	0.2
229.04970	0.2
231.10228	0.2
233.06470	0.2
233.11781	0.2
243.06572	0.3
243.10173	0.2
243.63533	0.1
253.04924	0.1
255.13841	1.7
271.06009	100.0
272.06329	1.8
273.07529	0.4
273.15018	0.2
287.05368	0.1
289.12103	0.1
297.07547	0.2
297.14944	0.1
313.07230	0.1
315.08594	0.3
315.15976	0.3
343.12793	0.1
369.11700	0.1
381.09732	0.1
433.11475	0.5
508.21094	0.1
665.16882	0.2
665.40283	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	664.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.5
57.03434	6.2
57.07077	18.9
61.02903	2.6
66.10779	1.9
67.05507	45.8
69.07057	3.5
70.34110	7.2
71.08633	12.1
73.78648	2.1
81.07063	9.8
81.65902	2.2
83.08613	7.4
84.74112	2.0
85.02883	2.6
85.10177	7.8
91.05476	3.0
95.08598	10.8
97.02860	2.4
97.10155	3.7
109.10162	47.1
112.08736	2.2
119.08590	2.7
137.09665	2.3
173.11739	16.0
204.17429	1.9
207.32605	2.1
229.14366	100.0
313.27356	70.7
452.00507	2.3
467.37302	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1707
Annotation	Apigenin 7-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
51.52280	0.1
53.03948	0.1
53.51172	0.1
55.01868	0.2
55.05510	0.1
56.30258	0.1
57.03416	0.3
65.03936	0.1
67.01858	0.3
67.05500	0.1
68.88299	0.1
68.99801	0.3
69.03432	0.6
69.07078	0.1
69.78574	0.3
70.06569	0.3
71.04989	1.8
73.02915	0.2
75.04463	0.1
78.39022	0.1
80.20074	0.1
81.03419	0.6
81.07066	0.1
83.04967	0.3
84.08125	0.2
85.02898	3.1
86.09664	0.1
86.35529	0.1
87.00816	0.3
87.04459	0.2
91.05474	0.5
93.07017	0.1
95.04954	0.1
95.08595	0.1
97.02877	0.4
99.04438	0.2
105.01857	0.3
105.07027	0.2
107.04947	0.3
109.02896	0.5
111.04445	0.4
116.07098	0.1
117.05496	0.1
119.04937	1.8
121.02887	0.6
121.10309	0.1
127.03904	1.0
129.01811	0.3
129.05481	0.7
131.63362	0.1
133.02797	0.1
135.04448	0.1
145.02838	0.6
145.04900	0.3
147.02890	0.1
147.04404	0.2
147.06496	0.2
151.03897	0.1
153.01817	4.3
159.02928	0.1
163.03923	0.4
166.08539	0.1
167.07028	0.3
171.02885	0.6
175.03868	0.2
177.05577	0.1
181.04933	0.3
187.03934	0.1
189.03966	0.2
195.03006	0.1
203.07092	0.1
207.06497	0.7
213.03909	0.1
219.06670	0.1
225.05470	0.3
229.04903	0.2
231.04967	0.3
233.06683	0.2
243.06483	0.3
247.06096	0.1
255.08765	0.1
255.13843	0.2
271.05988	100.0
272.06317	2.3
283.06223	0.1
295.06146	0.1
313.07104	0.2
341.08664	0.1
365.28580	0.1
381.09720	0.1
423.54843	0.1
433.10922	0.2
475.11847	0.1
506.19238	0.1
519.11328	0.9
579.16400	0.4
629.25891	0.1
665.16858	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81358	0.7
55.05509	3.7
57.03436	0.7
57.07057	1.2
65.03948	1.8
67.05500	6.1
69.07049	2.6
69.23167	7.3
69.23569	1.5
71.04978	0.9
79.05476	1.3
81.07055	1.3
83.08585	0.9
85.06533	3.2
91.05482	3.7
92.04989	1.3
93.47977	0.7
95.08589	1.3
97.10146	0.7
98.20714	1.2
103.05459	0.9
105.07043	1.0
107.08575	0.7
109.10181	1.6
119.04929	1.7
120.04469	9.5
121.10124	1.5
128.06213	0.8
130.06525	5.0
131.04881	2.5
131.08614	0.8
132.04437	2.1
144.08080	3.2
145.02870	1.3
146.06023	3.6
147.04437	5.4
154.06557	0.8
158.06010	3.9
158.09605	0.9
159.04404	2.9
160.01543	1.1
163.03906	1.6
167.07289	3.8
168.08064	2.3
170.09604	1.5
172.07590	0.8
174.09120	0.9
175.03905	58.0
176.04210	1.0
177.05473	3.1
179.38037	0.8
180.08075	3.6
181.08861	6.8
182.06050	1.0
182.09631	7.3
183.06747	1.6
184.07663	1.4
184.11241	1.9
186.09154	1.6
187.03903	11.6
187.07573	1.6
188.01025	3.1
189.05499	3.4
193.08815	1.4
194.09660	6.5
195.10411	1.6
196.07582	4.3
196.11296	3.3
198.09097	3.9
199.03944	3.0
199.07539	0.8
200.10712	2.6
201.05472	3.1
203.03400	15.9
203.07048	1.2
204.08095	1.0
205.08736	0.9
206.09636	2.1
207.10268	1.4
208.11218	4.4
210.09131	2.0
210.12646	0.9
213.05542	1.6
215.03397	1.3
215.07056	0.9
216.04213	1.8
217.08821	1.3
218.02090	3.8
218.09662	1.7
219.10420	1.3
219.15681	1.0
220.11250	2.3
221.12047	0.8
222.12756	5.4
223.13507	1.0
224.14377	2.0
226.06314	2.7
228.07910	1.1
229.04964	2.1
229.08572	8.1
231.02882	100.0
231.10265	3.1
232.03369	1.4
232.11172	2.1
233.04434	16.1
233.11946	0.9
234.12726	4.5
236.14391	5.5
238.15796	0.9
241.08578	10.0
243.10254	6.9
244.11195	1.2
245.08139	1.8
245.12108	1.2
246.12749	1.0
247.09653	17.1
248.14381	3.9
249.15100	2.0
250.15800	1.2
253.08621	1.2
255.10129	2.0
257.08069	1.7
258.12701	0.8
259.09543	2.3
259.13806	0.9
262.15829	1.4
264.13800	1.0
266.15387	1.6
268.13306	1.3
269.10803	1.4
273.10196	1.5
282.11514	1.9
283.12234	0.8
284.09647	1.6
285.10211	1.9
290.19107	0.8
293.10724	1.8
295.13284	3.5
297.10199	2.5
297.13608	1.2
298.10950	1.2
299.09091	12.8
299.11884	5.6
302.18991	1.5
304.20499	1.1
307.12332	3.4
308.13382	1.0
309.10263	3.1
309.13705	1.2
310.11011	2.5
311.11810	8.2
312.12527	3.1
313.14291	12.3
314.14594	0.9
315.15619	0.8
317.10196	3.0
321.13861	1.1
323.11761	1.2
324.12570	0.8
325.13345	24.0
325.17142	1.6
331.15393	10.1
337.13232	1.0
339.14880	2.4
341.12830	0.8
347.15436	1.1
351.14822	0.8
361.17032	0.9
369.15829	1.3
379.17960	0.9
381.19644	34.2
387.18454	1.3
399.17004	31.5
404.53195	0.8
409.18890	1.0
421.23276	0.8
444.04858	0.8
531.30048	3.4
574.22406	0.8
590.27496	1.9
646.34204	1.4
664.35364	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	664.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92082	1.1
55.05500	2.5
57.03430	0.9
57.07061	3.0
57.07354	0.9
58.87786	1.0
59.44963	0.9
61.25574	1.0
65.03932	3.1
65.34634	1.2
67.05171	1.7
67.05502	18.7
69.07050	3.2
70.79152	2.3
71.04990	3.7
73.71281	1.2
79.05486	1.7
81.07040	1.8
83.17415	1.1
85.06544	11.5
89.06015	1.1
89.23024	1.1
91.05457	5.3
95.08637	1.4
97.59912	1.1
105.07027	1.8
109.10130	1.1
119.04955	2.8
121.10172	1.0
131.04887	1.9
147.04408	7.7
148.04713	2.0
159.04472	6.0
163.03902	3.1
173.02299	1.5
173.05939	2.0
175.03903	97.0
176.04265	13.8
177.05495	4.1
185.09598	1.5
187.03906	16.5
188.01028	4.3
188.04279	2.0
189.05437	3.5
199.03870	3.0
201.05429	4.2
203.03372	18.1
215.03439	3.0
215.07050	1.4
216.04265	1.2
218.02095	23.5
226.06233	4.5
228.07880	1.5
229.04994	1.7
229.08591	16.1
230.02055	1.9
230.08914	6.0
231.02873	94.2
231.10106	2.0
232.03406	1.5
233.04446	100.0
234.04875	1.3
241.08560	10.7
242.08888	1.8
243.10242	7.2
244.10504	2.3
245.04662	1.7
247.09659	41.9
248.09996	13.8
255.10226	1.3
257.08081	1.4
259.09698	2.6
265.10855	1.3
295.13245	4.7
296.13730	1.3
299.09119	12.3
313.14236	13.5
314.14722	2.1
315.15680	1.5
317.10172	32.8
331.15405	8.6
578.51666	1.2
664.44556	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	664.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.8
57.07072	2.1
59.04993	2.3
65.03930	2.6
67.05505	14.2
67.31704	1.1
69.07064	4.2
71.04998	1.8
71.15209	1.0
71.52545	1.3
79.05489	2.8
81.03427	1.5
81.07049	2.9
83.04982	1.4
85.06553	9.3
91.05482	4.8
93.07019	2.2
95.04976	1.2
95.08601	2.2
98.03310	1.1
105.07014	1.7
109.10159	2.6
117.07053	1.1
119.04947	1.9
121.10149	1.6
128.06161	1.5
130.06494	1.3
131.04955	2.6
135.90274	1.0
144.08110	1.1
147.04356	6.5
159.04416	3.6
163.03911	2.4
175.03915	53.5
176.04178	2.8
177.05435	2.6
187.03903	18.5
188.01021	2.5
189.05486	3.2
199.03932	3.7
199.07610	1.4
201.05495	2.4
203.03380	16.2
213.05450	4.1
213.09055	1.3
214.06343	1.1
215.03362	4.4
215.07030	1.7
216.04312	1.2
218.02100	21.5
226.06265	4.7
227.06944	1.6
228.07677	1.4
229.05043	1.8
229.08675	10.9
230.02251	1.8
230.09131	1.5
231.02895	100.0
232.03360	1.8
232.10483	1.4
233.04459	86.7
241.08600	12.6
243.10127	10.7
245.08107	3.0
247.09682	8.6
248.10060	1.4
253.08614	1.4
255.10210	3.2
257.08066	1.7
259.09695	2.3
295.13345	6.8
299.09125	16.0
313.14355	26.2
317.10220	39.0
331.15286	5.4
340.11752	3.2
341.12112	3.2
382.31998	1.3
664.35632	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25978	0.5
55.05505	1.9
57.07059	1.7
59.05004	0.6
61.17189	0.5
65.03926	2.6
66.37186	0.6
67.05180	0.9
67.05509	13.3
69.07040	0.9
70.04099	1.9
71.04984	1.0
85.06547	9.9
87.44576	0.6
89.03892	0.8
91.05485	4.0
95.08578	1.0
97.10143	0.9
99.54959	0.6
102.06382	0.6
109.02891	0.8
119.04893	1.6
121.10078	1.0
130.93666	0.6
131.04942	1.9
134.03625	0.6
145.02882	0.9
147.04407	4.6
159.04411	3.6
160.01605	1.4
162.03180	1.3
163.03859	1.5
171.04300	0.8
173.02280	0.9
173.05943	1.1
174.06229	0.8
175.03902	62.8
176.04228	3.1
177.05530	3.7
185.06052	0.8
187.03899	11.5
187.07481	0.8
188.01030	5.3
188.04276	1.0
189.05499	3.5
190.02608	0.9
199.03902	2.6
201.05443	1.4
201.09103	0.6
203.03413	16.2
203.07048	1.1
213.05392	1.4
215.03433	4.0
216.00633	0.7
216.04155	2.1
217.01323	1.3
217.04945	1.4
217.08521	0.9
218.02094	28.1
219.02580	0.8
226.06355	3.4
227.06871	0.6
228.07834	1.2
229.04991	1.2
229.08626	9.2
230.02077	1.6
230.08990	0.9
231.02884	98.6
231.10028	1.9
232.03351	2.4
233.04448	100.0
234.04747	1.8
241.08546	8.8
242.08839	0.9
243.10153	7.6
244.10503	0.9
245.04422	0.9
247.09650	19.8
247.44960	0.6
248.09961	2.2
249.10275	0.9
255.10190	0.9
257.08081	1.0
259.09583	1.6
271.09671	0.8
273.07809	0.8
295.13272	2.7
299.09134	12.2
313.14325	9.1
314.14746	0.7
317.10187	32.4
331.15356	7.0
460.32120	0.7
664.30865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.6
57.07077	4.7
59.04996	2.2
65.03925	4.6
65.51580	1.7
67.05502	19.9
68.05816	1.9
69.07069	9.1
69.54427	12.9
71.04993	14.8
79.05470	5.8
81.07041	4.7
82.84737	1.8
85.06535	10.8
91.05475	8.2
93.07034	3.2
95.08576	2.9
98.06064	1.7
98.21498	2.7
105.07028	3.6
107.08587	3.3
109.10155	2.4
119.04908	3.5
119.08558	2.7
131.04895	6.4
147.04424	14.4
148.04765	3.6
149.05092	1.7
152.77939	1.8
155.08414	2.0
158.08110	3.0
159.04430	10.6
163.03860	4.4
173.06026	2.5
175.03911	100.0
176.04239	33.0
177.04395	7.1
177.05530	6.5
178.05803	3.6
179.06041	2.0
187.03871	18.3
187.07478	3.2
188.01060	4.8
188.04163	9.0
189.05592	4.0
190.05879	3.4
199.03906	7.3
200.04245	2.1
201.05475	3.4
203.03400	26.2
204.03790	4.1
205.04022	3.8
213.05420	4.2
214.05951	3.2
215.03339	2.8
216.04176	2.5
217.04965	1.8
217.08690	1.9
218.02098	20.0
219.98799	1.9
226.06238	6.5
227.06760	3.0
229.08592	24.0
230.08934	12.8
231.02878	90.2
231.08777	3.0
232.03456	3.2
232.10576	4.4
233.04446	62.4
233.10789	2.1
241.08667	14.5
242.08922	6.4
243.10213	11.4
244.10443	7.1
245.10759	4.7
246.10983	2.7
247.09682	35.1
248.10019	18.1
249.10181	6.5
259.09674	4.8
260.09891	5.3
260.51495	2.2
261.10248	4.3
275.07156	2.1
291.18228	1.8
296.13605	3.9
298.28436	1.9
299.09149	12.5
313.14337	14.5
314.14783	9.8
315.15051	4.9
317.10208	19.1
331.15244	8.6
332.15533	6.8
333.16202	2.7
335.25531	2.0
338.27640	2.2
616.34833	1.9
647.24884	2.1
664.30829	11.7
664.43939	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	664.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.9
55.05496	16.4
57.07059	10.2
59.04984	4.1
65.03922	9.4
67.05504	40.4
67.35097	3.6
69.07053	11.6
69.29429	27.3
70.06597	5.6
71.04974	15.6
79.05480	9.3
81.03418	5.9
81.07043	17.7
83.04951	5.1
85.06541	20.1
91.05491	17.4
93.07018	6.8
95.01341	4.0
95.04961	3.8
95.08601	6.7
95.96669	3.8
97.02871	5.1
103.05501	4.2
105.07027	6.4
107.08575	8.8
109.10129	8.9
111.11670	4.6
115.05429	4.5
118.56578	3.9
119.04906	6.8
121.10138	5.0
123.11681	8.0
124.07566	4.3
125.02364	4.1
125.09608	6.3
128.06190	4.4
131.04860	5.7
131.08571	5.7
133.02838	6.3
133.10091	6.1
135.04401	4.9
143.08543	5.6
145.02855	3.8
145.06526	4.1
147.04391	13.3
149.02443	5.7
151.11159	3.9
155.08466	4.4
157.06401	4.5
159.04355	10.1
161.05995	9.3
163.03906	14.1
167.03391	7.6
171.04449	5.7
175.03914	82.2
176.04317	6.6
177.01808	4.3
177.05646	4.3
183.90532	4.4
187.03905	25.5
187.07484	8.7
188.01073	9.1
189.05414	8.4
189.09151	8.9
191.03304	4.9
192.00575	4.1
193.04945	5.4
198.06750	7.0
199.03912	14.4
201.01787	7.3
201.05450	10.0
201.09000	5.2
203.03380	33.4
203.07072	9.8
205.05019	4.2
207.02885	36.4
210.01563	5.0
213.05469	5.0
213.08966	5.3
214.02592	4.0
215.03328	10.3
216.04222	18.1
217.01360	9.2
218.02083	14.8
219.02908	6.5
221.08052	14.3
226.06238	13.6
227.03267	4.3
227.10652	7.2
227.12672	4.3
229.04955	13.0
229.08565	11.6
230.08797	4.6
231.02888	100.0
231.10214	5.8
232.03482	5.3
233.04402	36.6
241.01282	12.9
241.04865	5.9
241.08582	43.1
243.10216	11.5
244.10623	5.2
245.00740	11.7
245.04401	7.0
247.09651	11.2
248.10068	4.5
253.08571	5.1
255.10335	4.7
257.04520	6.9
259.09686	9.0
270.01611	10.1
273.14819	5.8
274.06207	5.0
275.06799	4.1
277.10764	5.8
285.04022	17.3
287.12811	19.0
291.08939	21.4
295.13248	13.2
299.09073	16.9
301.04642	4.6
302.05542	5.6
303.06400	7.6
305.13806	20.6
313.14288	38.5
314.05750	4.5
315.09854	4.0
315.15945	5.3
317.04407	8.7
318.05344	8.2
319.06122	7.1
327.06445	4.5
329.04306	7.5
330.05203	14.7
331.06100	19.2
331.15335	6.1
332.06628	7.3
334.05310	3.8
335.05643	4.3
341.13629	5.4
343.05975	4.2
345.03836	7.8
345.10202	8.5
346.04648	9.0
347.05444	10.6
355.09821	5.4
355.15164	4.4
357.03598	3.9
359.05481	5.8
361.07245	9.2
363.08630	9.6
364.09552	5.3
371.08859	14.0
373.03067	4.8
373.07111	5.8
375.04803	6.1
379.08350	9.2
383.09061	13.1
384.10144	9.4
389.06259	5.4
391.07864	5.1
398.08041	4.5
399.08633	16.2
400.09460	10.1
401.10117	12.7
402.10748	6.6
403.12112	6.1
407.07489	9.1
413.10022	7.2
415.11823	22.1
429.13364	5.6
431.11188	5.7
433.12912	33.1
443.11145	7.0
445.08203	4.5
445.13437	4.5
447.14410	7.0
451.13770	10.4
459.10770	20.3
461.12256	37.6
463.09872	5.8
473.12094	22.3
475.13672	12.1
479.13242	15.8
485.15601	6.7
487.13904	7.3
491.13367	6.1
499.17465	14.3
501.19125	4.9
517.17969	10.9
527.16956	31.6
529.14655	13.9
545.18018	81.9
547.15839	9.9
557.18152	5.0
559.19257	11.7
561.17328	8.6
563.18927	14.6
601.24335	7.2
611.22583	18.1
629.23834	49.0
647.24652	7.4
664.26740	5.4
664.43536	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00604	0.2
61.02882	0.2
67.05495	0.2
69.03383	0.5
69.07027	0.6
70.06543	0.6
70.60160	0.1
70.78696	0.4
79.05457	0.3
81.03367	0.4
81.07014	0.3
83.04969	0.2
86.09686	0.3
91.05430	0.3
97.02867	0.4
98.27901	0.1
105.03374	0.2
105.06990	0.3
107.08527	0.3
109.02831	0.3
109.06484	0.2
109.10113	0.2
116.07083	0.2
119.08556	0.2
121.02805	0.3
121.10117	0.2
127.03860	0.5
136.06187	1.1
136.71913	0.1
137.88255	0.1
147.04341	0.3
153.01668	0.2
153.18712	0.1
159.11609	0.2
166.05054	1.0
167.07050	0.2
226.05000	0.3
231.05116	0.2
242.04344	0.2
244.06029	0.3
255.13760	0.2
260.05533	0.3
264.06479	0.4
268.06049	0.2
269.07214	0.2
271.05865	0.3
272.05591	1.4
279.08765	0.2
282.07568	2.8
284.05524	5.3
287.05505	0.3
292.06061	0.4
296.05524	0.5
296.09183	0.9
297.06311	0.8
297.09854	0.7
298.07233	0.3
298.10635	0.3
307.08398	1.3
308.09201	4.7
310.07080	35.4
311.07379	1.6
322.10718	1.5
322.75720	0.2
324.08548	1.2
325.09424	9.7
326.09769	0.5
340.11786	100.0
341.12146	4.4
502.17084	45.0
503.17413	2.9
664.22284	4.8
664.33807	0.2
664.38177	0.2
665.22620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
53.52244	0.2
55.05477	0.2
59.46615	0.2
59.95691	0.2
61.02890	0.2
67.05457	0.8
69.03434	1.0
69.07076	1.7
70.06542	0.6
71.04964	0.3
79.05449	0.7
81.03376	0.8
81.07011	0.7
86.09669	0.2
91.05454	0.5
93.07012	0.5
95.04949	0.3
95.08582	0.3
97.02886	1.1
98.21494	0.6
105.06978	0.6
107.04958	0.3
107.08543	0.5
109.02839	0.8
111.04453	0.2
116.07077	0.2
119.04929	0.4
119.08537	0.3
121.02859	0.5
121.10105	0.3
127.03927	1.2
131.08542	0.3
133.10060	0.3
135.11617	0.2
136.06186	2.8
137.02327	0.3
145.04921	0.3
147.04398	0.4
153.01756	0.7
163.03908	0.2
166.04959	0.8
173.90814	0.2
175.03780	0.3
207.06528	0.3
221.56102	0.2
226.05109	0.4
234.02585	0.2
242.04375	0.3
244.06102	0.5
249.18556	0.2
260.05460	0.4
264.06497	0.5
268.06152	0.3
270.07980	0.3
270.11359	0.2
271.06015	7.1
272.05783	3.1
273.06641	0.3
279.08917	0.4
282.07620	3.0
284.05521	7.1
287.05502	0.8
288.05533	0.3
292.05969	0.4
296.05603	1.0
296.09213	1.5
297.06314	0.8
297.09958	0.7
298.07025	0.6
298.10760	0.8
303.04974	4.1
304.05286	1.5
305.05588	0.4
307.08383	2.2
308.09146	5.1
310.07086	39.1
311.07520	1.9
312.12332	0.3
322.10803	1.9
324.08661	1.7
325.09454	8.5
326.09781	0.2
340.11792	100.0
341.12073	3.4
416.22601	0.2
502.17084	48.4
503.17361	2.1
544.18304	0.4
664.22394	8.8
664.33728	0.4
665.22650	0.6
671.30768	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
55.05508	3.1
57.03434	1.8
57.07070	1.3
59.05010	0.6
59.08418	0.5
61.02931	5.1
61.55285	0.5
65.03957	2.5
67.05502	6.1
69.03432	2.7
69.07072	8.2
71.04996	0.8
72.02448	0.6
73.02901	2.1
73.09563	0.5
79.05479	1.5
81.03397	1.4
81.07059	2.8
81.94979	0.4
83.04952	1.1
83.08622	1.4
85.02909	7.2
85.06545	3.0
91.03970	3.7
91.05491	5.5
93.07043	1.7
95.04932	0.8
95.08594	2.4
96.51184	0.5
97.02892	5.6
97.10151	0.9
99.04443	0.9
101.02377	0.5
105.07027	1.2
107.08587	0.8
109.02871	1.1
109.10153	1.2
111.08080	0.7
115.05467	1.0
119.04940	1.8
119.08572	0.6
119.14486	0.5
121.10162	1.7
127.03913	2.4
131.04929	3.1
135.11655	0.7
143.04930	0.6
143.08569	0.7
145.04964	1.5
147.04405	11.6
157.69930	0.6
159.04404	5.3
161.05963	0.9
163.03905	3.2
166.07753	0.5
171.04465	0.6
173.05980	1.7
175.03908	100.0
176.04269	3.8
177.05489	3.1
183.06558	1.4
187.03918	13.1
187.07539	2.1
188.04279	1.2
189.05493	3.9
199.03888	2.9
200.17543	0.5
201.01810	0.8
201.05475	4.9
201.07283	0.7
203.03403	6.4
203.07014	1.8
204.03749	2.1
211.07565	0.7
213.05449	1.8
215.06987	0.9
217.08618	0.8
226.06261	3.1
227.06949	0.6
229.08604	29.4
230.08980	1.8
231.10201	2.4
241.08615	7.7
242.08791	1.1
243.10193	5.9
244.10504	1.0
245.08177	1.8
247.09656	71.1
248.09923	2.6
253.08496	0.7
257.08069	0.5
259.09717	3.0
265.10458	1.1
265.25253	2.0
269.08005	0.6
270.08398	0.7
287.09171	0.8
288.09259	0.6
295.13263	2.6
313.14297	6.7
314.14578	1.3
315.15994	1.0
331.15509	4.6
332.15793	1.1
337.27353	0.7
339.28915	7.9
465.32581	0.6
483.33041	0.9
537.48151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.1
57.05848	1.1
57.07067	2.2
57.68552	1.3
65.87582	1.3
67.05508	5.2
69.07066	7.4
69.51344	8.5
70.48028	1.1
79.05464	1.8
81.07045	3.3
85.06519	4.0
91.05481	7.1
93.07055	1.7
95.08599	2.0
107.08569	1.6
109.10178	1.7
119.04925	3.3
121.10136	1.7
128.06218	1.3
129.06952	1.2
131.04921	3.6
147.04427	11.6
159.04398	4.8
163.03871	3.6
167.08614	1.4
173.05971	2.0
175.03908	100.0
175.26442	1.0
176.04289	6.2
177.05489	2.8
187.03923	14.9
187.07561	2.6
188.04193	1.5
189.05508	3.8
199.03862	2.1
201.05426	4.3
201.09105	1.4
203.03447	1.7
203.07140	1.5
213.05537	1.2
214.06151	1.4
217.08684	1.5
226.06137	2.0
227.06863	1.2
229.08597	32.5
230.08929	3.1
231.10184	2.0
241.08604	6.7
243.10190	6.2
244.10567	1.4
247.09656	69.8
248.09946	5.6
253.08546	1.1
259.09601	3.9
265.10834	1.5
273.14835	1.2
295.13260	2.0
313.14197	6.7
314.14743	1.6
331.15359	5.9
332.15625	2.3
337.27560	1.4
338.24472	1.2
609.14783	1.3
666.58215	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.6
57.07067	2.0
59.04976	0.7
65.03947	0.7
67.05508	4.3
69.06736	0.7
69.07065	7.8
71.08612	1.9
79.05504	1.2
81.03421	1.3
81.07053	1.7
81.12473	0.7
82.12890	0.6
83.08622	1.0
85.06561	3.4
85.10147	0.7
87.04467	4.2
91.05473	2.6
93.07027	1.1
105.07028	1.1
119.04911	1.6
123.11681	0.6
131.04909	2.3
147.04419	8.6
150.05281	0.8
159.04395	5.8
163.03873	2.3
173.05986	1.3
175.03908	100.0
176.04247	2.5
177.05502	1.6
179.40508	0.7
187.03886	12.8
187.07533	2.0
189.05457	4.4
199.03882	1.6
201.05482	4.7
203.03455	1.3
203.07019	2.1
211.07600	1.0
213.05444	1.6
216.06636	1.0
217.08554	1.0
222.11057	1.5
226.06313	2.8
227.06999	0.9
229.08592	30.6
230.08923	1.1
231.10164	1.5
241.08549	5.4
242.08998	1.0
243.10156	6.3
247.09653	85.5
248.10023	2.1
259.09726	1.9
289.73666	0.9
291.23260	0.8
295.13199	2.3
313.14383	7.1
313.27231	0.7
331.15466	6.3
378.20853	0.8
379.48001	0.7
469.61017	0.7
477.27432	1.5
590.36145	1.0
662.41541	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	662.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.7
55.21291	1.3
57.07057	3.1
59.04993	1.8
61.56475	1.3
67.05502	6.7
69.07069	8.6
70.49567	4.9
81.07050	2.1
85.06536	4.1
86.55922	1.2
87.04474	2.5
91.05490	3.3
119.04915	2.4
131.04915	2.7
147.04420	13.2
159.04417	5.2
163.03902	3.3
173.05991	1.9
175.03905	100.0
177.05490	7.5
187.03906	15.7
187.07558	2.6
189.05492	8.0
199.03877	2.8
201.05470	5.7
203.03322	2.0
203.06998	2.2
213.05455	3.3
215.07059	2.7
226.06300	3.5
229.08603	28.1
231.10149	6.9
241.08661	8.2
243.10147	7.6
247.09645	66.9
255.10112	2.6
259.09589	6.9
270.40073	1.4
295.13220	4.5
313.14203	11.4
315.15909	29.8
331.15363	9.1
346.79193	1.8
455.61169	1.3
630.43097	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	661.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.5
54.34408	1.1
55.01867	6.4
55.05511	16.5
57.03435	21.9
57.07077	5.5
58.36673	1.2
59.04988	2.2
61.02927	86.3
65.03934	1.7
67.05503	52.7
69.03430	33.3
69.03741	0.7
69.07070	20.3
71.01348	3.7
71.04986	7.0
71.08625	2.3
71.51904	1.2
73.02916	32.6
75.04478	1.6
79.05491	17.1
81.03423	26.8
81.07053	51.7
82.07397	1.4
83.04972	7.0
83.08617	12.2
85.02905	100.0
85.06538	6.7
87.04475	3.4
87.41530	1.1
91.03956	63.5
91.05480	12.7
93.07051	17.2
95.02231	1.2
95.04967	3.0
95.08610	42.5
97.02893	82.4
97.06542	4.0
97.10180	7.7
98.03245	1.8
99.04455	12.4
99.08101	2.6
101.02399	8.2
103.03944	12.6
105.07037	10.2
105.84074	1.4
107.04939	1.7
107.08583	9.8
109.02886	14.6
109.06553	3.3
109.10152	18.2
111.04443	4.4
111.08112	2.4
111.11746	2.3
115.03936	7.5
117.05489	1.6
117.07027	4.1
119.08604	6.6
121.06509	1.9
121.10143	10.0
123.08104	2.3
123.11706	8.4
127.03915	33.2
129.05482	8.0
129.07016	1.8
131.08566	3.8
133.10139	7.0
135.04393	1.2
135.11653	6.3
137.09628	2.5
137.13258	3.6
141.06955	1.5
143.08522	1.8
145.04961	27.7
145.06168	1.8
145.10139	2.8
147.04401	3.6
147.11700	5.0
149.13313	3.6
151.11197	2.5
151.14812	2.3
155.06949	1.3
159.04402	2.0
159.06525	4.8
159.08011	1.9
161.05991	1.6
161.13290	5.1
163.03998	2.3
163.05988	7.2
163.14835	4.6
165.16389	1.8
169.10052	1.3
171.11656	1.6
173.13303	2.0
175.03891	25.5
175.14871	4.7
177.05565	1.8
177.16428	1.8
183.06526	11.0
187.03967	8.4
187.14923	1.6
189.05482	2.8
189.09085	1.4
189.16417	2.4
195.08211	1.6
199.03923	4.8
201.05629	3.0
201.07574	8.3
203.03433	7.3
203.07083	3.0
213.05490	2.2
215.06926	2.0
217.08650	2.0
225.09059	1.3
226.06232	3.8
227.06992	1.9
228.07582	1.5
229.08603	7.1
235.07448	1.3
241.08574	17.3
243.10213	7.0
243.21048	2.2
245.08139	2.3
245.22649	10.3
247.07422	1.9
247.09682	14.0
259.09711	4.9
261.22211	2.1
263.23694	17.7
269.08157	2.8
271.09378	1.8
273.14722	1.9
287.09384	2.2
287.12823	5.8
295.13342	3.1
305.13858	3.2
305.24832	2.5
311.12592	2.0
313.14322	16.5
319.26086	2.3
329.24680	1.7
330.14709	1.5
331.15564	6.0
335.25748	2.2
337.27362	82.3
338.27750	4.1
347.25848	1.9
365.26767	3.3
371.25818	3.1
379.28561	2.6
387.11993	1.5
389.26614	2.2
435.61423	1.5
445.29324	3.4
463.30441	4.5
481.31488	11.6
499.32507	2.4
503.30240	1.3
513.22687	1.8
523.21759	2.0
541.22101	2.8
548.24261	2.7
607.27185	3.6
625.27838	2.5
643.28595	1.8
661.38049	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	661.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71261	0.6
55.05512	5.9
57.07074	3.6
58.67439	0.6
59.04996	1.5
60.36356	0.6
65.03933	3.3
67.05186	0.8
67.05508	12.9
69.03425	0.9
69.07075	6.3
69.64897	3.5
71.05008	1.3
79.05488	1.4
81.03410	0.6
81.07039	1.5
83.01329	1.0
83.08611	0.8
85.02904	1.0
85.06547	8.7
91.05479	6.0
93.07031	1.9
95.08617	1.3
98.20740	0.7
102.62167	0.6
103.05479	1.1
105.06999	2.2
107.04952	1.1
107.08604	1.4
109.06493	0.6
109.10168	1.5
109.41611	0.5
115.05416	1.1
119.04947	1.9
121.10123	2.7
128.06229	1.0
129.06970	1.1
131.04926	6.2
131.08521	1.0
133.10121	0.7
141.06937	0.8
143.04906	0.9
145.06487	1.1
147.04401	10.6
155.08553	1.1
159.04430	9.8
159.08032	0.9
161.02296	0.8
161.05986	0.9
163.03899	5.8
171.04439	1.9
173.05957	2.4
175.03906	100.0
176.04338	1.0
177.05466	8.4
179.08600	0.8
185.05937	0.9
185.09627	1.3
187.03906	33.4
187.07512	2.4
189.01797	1.1
189.05478	9.2
189.53017	0.6
191.03458	0.8
195.08031	0.6
197.05951	1.2
198.06787	1.6
199.03882	10.1
199.07559	2.3
201.05455	6.1
201.09172	1.4
203.03413	5.6
203.06975	3.6
203.10750	0.9
211.07619	0.8
212.04718	1.1
213.05482	4.9
213.09097	1.8
215.07030	6.3
217.05052	1.3
217.08582	3.0
223.07567	1.8
226.06226	10.3
227.07050	2.9
228.07835	2.7
229.08592	29.5
231.10153	8.5
239.07042	0.8
241.08592	30.0
243.10179	24.1
245.08070	4.9
247.09657	59.7
253.08580	2.9
255.10143	4.8
257.07974	1.6
259.09692	12.6
269.11655	0.9
271.09656	0.7
295.13266	11.4
313.14325	37.3
331.08551	1.3
331.15408	30.8
332.15704	0.7
349.16571	1.0
670.36304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.1
57.07084	4.1
58.20343	0.3
59.05003	4.4
60.87470	0.4
65.03956	2.0
67.05506	7.2
69.07071	4.9
69.30663	2.6
69.31082	1.2
71.04972	1.5
73.06529	0.4
77.03915	0.4
79.05464	1.7
81.07030	1.2
82.40897	0.4
83.01308	1.1
83.04929	0.7
85.06544	9.0
91.04993	0.5
91.05492	6.4
93.07010	0.9
95.04961	0.6
95.08599	1.1
103.05449	1.7
105.07023	1.7
107.08566	0.4
109.10136	1.3
111.11698	1.0
115.05469	2.2
117.07001	0.9
119.04955	4.3
119.08575	0.7
121.06489	1.4
121.10080	0.7
123.11705	0.6
128.06206	1.6
129.07001	1.1
131.04030	0.7
131.04932	9.7
133.06477	1.7
139.11180	0.4
141.06978	0.8
142.07770	0.9
143.04932	1.4
145.06494	1.5
145.10110	0.6
147.04416	16.0
155.08524	1.0
157.06508	0.9
157.10025	0.6
159.04411	11.5
159.08067	0.5
161.06029	3.5
163.03914	6.1
165.06969	0.5
167.08578	0.6
171.04373	1.5
171.07986	0.8
173.06056	2.4
175.03912	100.0
176.04474	1.5
177.05478	18.2
178.05826	0.4
183.08032	0.6
185.06007	1.7
185.09628	1.1
187.03912	34.8
187.07458	4.3
189.01852	0.9
189.05470	17.8
191.03418	0.6
195.08035	0.5
197.06055	0.9
197.09622	0.4
198.06761	1.2
199.03909	8.7
199.07576	1.6
201.05495	7.5
201.09099	1.7
203.03418	8.1
203.07036	4.0
203.10701	1.0
211.07535	1.4
212.04692	1.0
213.05484	6.1
213.08975	2.9
214.06201	0.7
215.03473	0.5
215.06987	4.7
216.06549	0.5
217.04997	2.2
217.08588	4.1
223.07550	0.7
225.09106	0.7
226.06252	6.1
227.07018	3.5
228.07794	1.9
229.08597	29.1
231.10149	17.5
239.07111	1.7
241.08604	26.8
242.08946	0.5
243.08032	0.3
243.10176	21.0
245.08136	7.4
247.09671	40.9
253.08588	2.7
255.10115	2.0
257.08026	0.9
259.09677	16.0
261.11209	0.7
265.10727	0.4
269.11819	0.8
271.09641	1.2
273.11176	0.9
287.12802	0.5
295.13309	5.8
313.14337	23.7
325.39664	0.5
331.15390	11.6
400.18228	0.5
415.32590	0.5
628.28516	0.5
643.22351	0.5
661.30219	18.5
662.30609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56671	0.7
55.05311	0.7
55.05512	8.1
57.07086	4.8
59.05005	8.8
65.03941	1.6
67.05507	12.8
69.03429	1.1
69.07072	8.9
69.74699	4.1
71.04983	1.9
71.23605	0.8
73.06501	1.0
77.63300	0.8
79.05495	1.7
81.07042	3.1
83.01314	1.2
83.04979	0.9
83.08645	1.0
85.06549	9.3
91.05479	7.0
93.07057	1.6
95.04994	0.8
95.08592	4.1
103.05482	0.8
105.07024	3.0
107.08615	1.0
109.10189	1.8
111.11761	1.5
115.05462	2.2
119.04922	3.3
121.06518	1.1
121.10150	2.1
123.11698	1.8
124.40275	0.8
128.06212	3.1
129.07004	2.0
131.04922	12.1
131.08502	1.0
133.10155	0.9
135.04420	0.8
139.11203	1.0
141.07002	1.7
142.07770	1.1
143.04895	1.8
143.08516	1.4
145.06500	2.3
147.04401	12.0
150.95834	0.8
153.07007	1.0
154.07774	1.0
155.08531	2.4
157.06442	1.9
157.79950	0.8
159.04411	15.9
161.06010	1.0
163.03886	5.6
167.08606	1.0
169.06477	1.5
171.04398	3.3
171.08073	1.3
173.05954	5.5
175.03905	100.0
177.05487	7.3
183.08058	1.5
185.06018	3.1
185.09589	1.7
187.03905	40.5
187.07501	3.6
189.01816	2.0
189.05466	11.7
195.07982	1.7
197.06053	1.1
198.06737	2.0
199.03915	16.8
199.07552	3.6
201.05466	11.1
201.09273	1.4
203.03419	3.9
203.06985	3.4
203.10733	1.3
204.32079	0.8
211.07448	1.4
212.04730	4.0
213.05487	14.7
213.09016	4.2
214.06227	0.9
215.06970	8.6
217.05037	1.0
217.08652	3.3
223.07536	2.9
225.05313	1.1
225.09200	2.0
226.06264	6.5
227.07025	7.6
228.07748	2.4
229.08583	32.9
230.09032	0.9
231.06635	1.9
231.10167	8.2
239.06998	3.9
241.08572	41.9
243.10164	32.4
245.08089	20.6
247.09656	38.8
253.08533	5.0
255.10204	4.8
257.08179	4.1
259.09653	15.6
269.11636	2.3
283.13174	1.0
295.13342	12.5
313.14334	63.7
325.14304	2.5
331.15433	18.8
343.15353	1.6
400.19586	1.1
625.28027	1.3
661.30652	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.6
55.05509	10.3
57.07070	3.4
59.04988	3.8
65.03930	1.9
65.09879	1.5
65.10207	1.7
67.05506	12.4
68.39603	1.4
69.07080	7.9
69.84616	3.3
69.85031	5.7
71.04995	1.5
79.05472	4.8
81.07047	6.8
83.04984	2.2
85.06542	11.6
91.05479	9.6
91.33286	1.3
93.07013	3.5
95.08594	4.7
103.05510	1.9
105.07013	4.7
107.08575	2.5
109.10135	3.0
116.69901	1.5
117.07033	1.9
118.16192	1.5
119.04958	2.1
121.06447	2.3
121.10114	1.8
123.55902	1.5
128.06226	2.7
129.07048	2.4
131.04936	11.7
143.04927	2.3
145.06413	2.2
147.04414	19.5
149.06007	1.5
157.10181	2.2
158.34062	1.6
159.04398	13.3
161.06012	2.5
163.03889	4.7
167.08540	1.8
173.06030	4.0
175.03908	100.0
176.04536	2.3
177.04256	1.8
177.05501	16.7
187.03912	28.7
187.07542	5.6
189.05408	15.3
189.11049	1.4
190.08737	2.2
199.03897	8.6
199.07507	2.4
201.05437	5.8
201.09219	2.3
203.03378	6.2
203.07040	3.4
213.05441	5.6
215.07036	5.2
217.05020	1.8
217.08600	5.0
226.06226	8.2
227.06953	3.5
228.07909	1.8
229.08595	28.8
231.10161	13.8
239.06967	2.0
241.08606	29.6
243.10211	21.9
245.08180	7.9
247.09645	45.4
255.10242	1.8
259.09668	14.5
262.28134	1.7
273.18747	1.7
295.13266	6.2
313.14337	26.4
331.15469	15.8
348.21622	2.5
349.22098	2.5
518.24078	1.6
638.90546	1.8
660.48163	3.4
661.30371	22.6
661.40570	3.4
661.48364	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	661.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42355	1.4
55.01874	1.9
55.05505	7.5
57.07080	10.8
59.05000	13.9
65.03927	2.2
67.05238	1.7
67.05514	17.2
69.07059	6.8
69.93757	6.7
69.94168	3.7
71.04991	3.6
79.05499	4.6
81.07045	3.7
82.63857	1.6
83.01335	1.6
85.06542	17.8
91.05487	6.5
93.07043	2.0
95.05022	1.8
95.08617	3.3
105.07006	3.0
106.18375	1.7
109.10155	3.7
113.02373	6.2
117.07011	2.1
119.04969	3.7
121.10131	2.0
128.06258	2.0
129.06989	1.7
131.04915	9.8
133.02858	3.0
143.08592	1.8
144.67325	1.7
145.06537	2.4
145.25854	1.8
147.04402	12.2
155.08655	1.7
158.06023	2.7
159.04410	11.6
161.05934	2.5
163.03914	9.9
171.04349	2.6
171.07997	2.5
173.06036	3.5
173.09740	1.6
175.03914	78.1
177.05513	5.6
179.19514	1.7
185.05937	2.5
185.09720	1.7
187.03905	29.1
187.07579	4.3
189.05437	7.8
189.09047	1.9
191.03401	3.2
193.04991	3.6
193.55380	1.9
195.07857	2.0
199.03888	9.7
199.07497	3.4
200.10692	6.6
201.05560	7.6
201.09119	2.9
203.03371	3.9
203.07014	3.7
212.04684	2.9
213.05455	8.8
213.09052	3.5
215.07019	5.3
217.05031	1.6
217.08600	2.8
225.08968	1.9
226.06186	7.8
227.07025	10.9
228.07785	2.3
229.08591	40.5
229.12209	3.7
231.10208	4.8
239.07213	2.2
241.08580	31.2
243.10175	20.6
245.08119	4.3
247.09663	36.6
253.08597	7.3
255.10181	2.9
259.09656	8.7
261.11389	2.0
273.14890	5.6
277.10773	5.7
287.12680	3.2
295.13306	13.8
305.13675	3.0
311.12833	2.6
313.14331	100.0
314.14584	4.0
331.15427	20.3
335.25809	2.1
337.13715	1.6
345.17111	1.8
375.12042	2.1
377.10159	1.8
379.15359	2.5
396.12497	1.6
397.16370	12.9
449.16031	1.7
495.22009	2.1
541.21472	2.3
545.18323	1.8
548.24127	15.7
555.23438	2.1
625.27698	3.8
629.23743	2.7
643.25562	9.8
661.26093	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	661.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
55.05514	3.9
57.07074	2.8
59.04992	0.9
65.03934	2.2
67.05505	10.7
69.07066	3.8
71.04980	1.2
71.08601	0.6
71.08923	0.4
76.36706	0.4
79.05476	1.3
81.07041	1.2
83.01311	0.7
85.06541	10.3
91.05487	5.2
93.07023	0.7
93.65031	0.4
95.04955	0.8
95.08608	1.0
97.82236	0.4
99.10684	0.4
102.97972	0.4
103.05456	0.8
105.06996	0.9
107.04893	0.4
109.06495	0.4
109.10148	1.4
111.11717	0.6
115.05481	0.9
115.49110	0.4
117.07034	0.6
119.04932	2.4
119.08567	0.8
121.02839	0.4
121.06458	0.5
121.10140	1.8
126.38042	0.4
128.06194	0.9
129.06972	1.1
131.04926	7.4
133.06517	1.1
133.10086	0.6
136.37868	0.4
141.07022	0.7
142.07764	0.7
143.04930	0.9
145.06487	1.1
147.04408	12.3
149.69679	0.4
152.06128	0.5
155.08536	1.0
157.06514	0.6
157.10139	0.5
159.04413	9.4
159.07910	0.5
160.37128	0.4
161.05998	1.1
163.03918	4.6
168.02435	0.4
171.04373	2.0
171.08028	0.6
173.06007	2.4
175.03900	100.0
176.04320	1.7
177.05460	7.9
184.94884	0.4
185.05991	1.3
185.09622	0.7
187.03900	31.0
187.07396	2.6
189.05463	6.9
191.03368	0.6
195.08032	0.9
197.06042	0.5
197.09599	0.7
198.06752	1.4
199.03891	8.4
199.07549	1.5
200.04512	0.5
201.05447	5.7
201.09050	1.1
203.03383	5.4
203.06984	3.3
203.10689	0.5
205.04784	0.6
211.07581	0.9
213.05473	4.0
213.09064	1.3
214.06110	0.9
215.07002	2.3
216.06535	0.5
217.05000	1.5
217.08556	2.3
223.07513	1.6
225.09094	0.7
226.06227	9.7
227.07062	1.8
228.07765	3.8
229.08588	26.2
230.08858	0.5
231.06589	0.5
231.10144	6.3
239.06944	0.5
239.10829	0.5
241.08575	23.6
243.10165	20.6
243.12132	0.3
244.10574	0.7
245.08124	2.7
247.09648	53.4
248.09958	1.1
253.08519	2.4
255.10156	4.0
257.08066	0.7
259.09650	7.3
265.10672	0.8
269.11792	0.5
271.09683	1.3
295.10092	0.8
295.13260	9.6
313.14319	23.7
314.14575	0.8
331.11490	0.7
331.15424	14.3
499.14987	0.5
543.90350	0.4
646.55139	0.4
661.23273	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.4
67.05488	3.3
68.48042	1.0
69.03425	2.3
69.07053	2.1
70.06593	3.0
71.53140	2.1
79.05498	2.2
81.03394	3.1
81.07057	4.4
83.04969	1.3
84.08125	1.1
85.02884	2.8
85.06572	1.3
86.09718	1.5
91.05475	3.5
93.07037	3.5
95.04968	1.4
95.08582	3.0
99.04435	1.4
105.07032	3.0
107.08585	2.4
109.02874	1.9
109.10162	3.0
119.08582	2.5
121.02866	1.9
121.10133	1.9
124.51521	1.3
125.09643	1.7
127.03918	2.0
129.06958	1.2
130.06541	1.3
131.08571	2.1
133.10130	1.6
136.07550	1.2
137.05885	1.2
146.05956	1.3
147.04428	2.3
147.08063	1.2
157.09990	1.4
158.06032	2.4
175.03857	10.3
187.03908	3.3
187.29871	1.1
200.10710	5.2
207.06470	2.7
226.06381	1.5
229.08572	3.2
241.08636	2.7
243.10184	2.0
247.09621	7.2
313.14310	3.5
331.15463	4.0
337.10715	10.9
353.10254	2.2
354.10455	1.9
355.10672	2.7
387.14764	1.6
392.16077	1.5
401.16187	3.1
404.18854	1.7
415.13477	2.8
415.17786	4.5
416.14920	4.2
417.19449	1.5
419.17282	2.6
425.16061	1.7
428.14749	1.5
429.15668	5.9
430.16315	4.6
431.17288	24.0
432.17780	1.9
433.19568	1.8
441.15533	2.0
443.12723	3.6
443.17188	7.0
444.18430	7.5
453.15552	3.4
454.16397	4.9
455.16998	2.1
457.14935	27.2
458.15469	3.3
461.18658	1.6
467.17432	2.6
468.17917	5.2
469.19479	5.5
470.19836	1.5
471.16513	9.2
472.17416	16.9
473.13742	1.5
474.15314	2.7
475.19608	3.6
481.14703	3.1
482.15579	12.1
483.16559	5.2
488.17078	2.7
489.17303	2.0
490.18057	1.5
495.16592	1.6
496.17569	10.2
497.18179	36.7
497.29459	1.8
498.18512	5.9
499.15912	2.1
500.16876	1.9
503.19272	3.1
504.19940	1.6
510.19598	1.8
511.19742	2.0
513.18304	2.2
514.18445	4.5
515.19196	3.8
517.20886	2.8
524.16504	9.7
525.16644	1.6
526.18573	1.4
528.20129	3.5
529.20477	2.1
530.21326	2.6
531.21985	2.3
538.19861	1.3
541.17285	2.6
556.19507	35.8
557.20013	2.5
558.21289	3.7
559.21582	2.2
569.20313	8.4
574.19629	1.4
587.21301	5.9
590.23773	5.3
597.20135	11.4
601.22614	2.8
618.23236	38.4
619.23926	25.6
620.24579	1.9
629.22412	76.6
630.22577	4.6
642.35022	1.3
643.27423	1.8
661.24872	100.0
662.25580	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	661.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
54.21364	0.2
54.48340	0.2
55.01861	0.4
55.05500	0.4
57.03444	1.2
58.08520	0.1
59.04966	0.2
61.02915	0.7
64.07648	0.2
66.46922	0.2
67.05502	0.5
69.03435	1.2
69.07055	0.3
69.90979	0.8
70.06572	0.6
71.04993	7.0
72.08147	0.2
73.02905	0.4
75.04475	0.5
77.33790	0.2
79.05485	0.5
81.03432	0.8
81.07038	0.7
83.04958	0.6
84.08117	0.2
85.02908	10.9
85.06505	0.2
86.09686	0.3
86.21508	0.2
87.04463	0.3
91.05485	0.7
93.07027	0.7
95.04967	1.3
95.08600	0.6
95.17985	0.2
97.02911	1.1
97.06528	0.2
98.21511	0.2
99.04446	0.3
105.03382	0.2
105.07024	0.6
107.04947	0.3
107.08553	0.3
109.02859	0.7
109.06470	0.3
109.10120	0.6
111.04428	0.5
119.04903	0.3
119.08540	0.4
120.08091	0.4
121.02870	4.0
121.06509	0.3
122.03648	0.2
123.04401	0.2
123.07996	0.2
127.03884	0.7
129.05486	2.0
129.94992	0.2
131.08557	0.2
133.10083	0.3
135.11716	0.2
136.07587	0.2
145.04938	0.6
145.06424	0.4
145.10112	0.3
146.05902	0.2
147.04401	0.4
147.06537	0.5
149.23218	0.2
151.03864	0.3
157.10095	0.2
159.11694	0.3
161.09561	0.2
167.07033	0.2
171.07950	0.2
175.03915	0.5
175.07599	0.3
179.03386	0.6
181.04884	0.2
184.07353	0.2
200.10716	0.4
201.05551	1.2
203.03407	0.3
207.06464	0.6
219.06480	0.5
219.08311	0.2
253.50084	0.2
271.06012	0.4
283.06296	0.2
292.07358	0.8
299.05582	0.9
309.07758	0.3
311.05429	0.6
311.09140	0.4
321.07596	0.4
323.05472	0.4
324.06204	0.4
325.07452	0.2
335.09131	5.3
337.07040	2.6
337.10687	0.3
338.07877	2.5
351.09491	0.4
353.10184	100.0
354.10529	2.9
375.67685	0.4
398.16104	0.2
504.20670	0.3
515.15460	0.7
611.24109	0.2
661.29572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.2
57.25837	0.1
65.03912	0.2
68.99797	1.1
69.03390	0.4
70.06550	0.4
70.09497	0.6
77.60838	0.1
79.05462	0.2
81.03375	0.2
81.07037	0.3
83.04999	0.2
85.02902	1.2
91.05441	0.2
97.02846	0.4
98.21471	0.2
101.36259	0.1
105.06983	0.2
107.04894	0.2
109.02849	0.3
119.04894	0.4
119.08488	0.2
120.08079	0.2
121.02872	4.6
127.03877	0.3
136.97096	0.1
145.05132	0.1
145.06441	0.5
147.04367	0.2
154.04924	0.1
163.03906	1.3
175.03761	0.2
175.07555	0.4
201.05464	3.2
201.07191	0.1
207.06506	0.2
210.56114	0.2
219.06499	0.3
229.04877	0.2
283.05862	0.4
293.08081	0.5
305.08023	0.3
307.06055	1.7
308.06656	0.3
319.09662	7.1
320.09891	0.4
321.07614	3.0
322.08353	5.4
335.09396	0.2
336.06149	0.8
337.10690	100.0
338.11029	3.4
349.10547	0.2
399.69873	0.2
435.54950	0.1
499.15997	38.1
500.16318	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87414	1.3
53.03934	5.8
55.01865	5.4
55.05508	12.0
57.03437	26.3
57.07079	2.0
58.16771	1.4
60.20993	1.5
61.02928	82.5
65.03934	3.1
67.05508	40.4
67.77292	1.4
69.03432	33.7
69.07070	11.5
70.05055	6.2
71.01355	3.5
71.04974	5.0
73.02920	26.5
79.05495	28.6
81.03417	27.8
81.06593	2.6
81.07056	44.7
83.04978	6.8
83.08614	3.0
85.02906	100.0
87.04470	3.8
91.03955	66.2
91.05482	19.7
93.07050	30.9
95.04969	6.3
95.08607	35.8
97.02891	76.9
97.06523	3.2
99.04457	10.8
101.02365	8.4
103.03952	8.0
105.07035	14.9
107.04932	1.5
107.08589	20.0
109.02875	16.2
109.06507	4.0
109.10145	17.7
111.04421	3.8
115.03913	7.5
117.05458	2.8
117.07008	6.7
119.08565	11.4
120.04474	1.4
121.10138	14.8
121.43321	1.5
123.04472	1.7
123.11749	6.9
127.03911	35.0
129.05504	6.8
131.08578	10.5
133.10133	9.9
135.08022	2.1
135.11708	11.8
137.09605	1.5
137.13248	3.0
138.28001	1.3
143.08553	3.2
145.04953	24.8
145.10110	7.6
147.07930	1.7
147.11699	8.5
149.09558	2.5
149.13226	6.3
157.10117	1.8
158.06082	2.0
159.06532	2.8
159.08003	1.9
159.11673	7.2
161.13245	4.8
163.06061	9.2
163.11177	1.6
163.14903	2.8
171.06516	2.4
171.11642	3.6
173.13240	5.7
175.03874	1.8
175.14784	2.2
177.16362	1.6
183.06512	6.9
185.13173	2.6
187.14798	4.1
195.11612	1.5
200.10721	2.3
201.07568	4.8
201.16237	1.9
215.14372	1.6
231.84276	1.6
241.19543	2.0
243.21115	6.1
258.07755	1.7
259.20477	2.1
261.22119	19.7
298.86621	1.4
303.23227	2.2
315.23386	2.0
333.24408	1.6
335.25815	70.7
350.17691	1.6
351.23013	1.7
363.25266	3.0
369.24283	3.9
377.27060	1.8
405.26166	2.8
443.28006	4.0
461.29233	2.1
479.30286	7.9
588.76892	1.4
607.70447	1.5
613.94940	1.6
659.23499	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	659.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67955	1.0
53.03942	5.7
55.01854	5.0
55.05513	8.3
57.03439	24.8
59.04985	1.3
61.02926	81.6
62.75974	1.3
67.05503	35.2
69.03429	31.2
69.07067	8.6
70.13616	5.2
71.01343	3.0
71.04975	4.8
73.02517	1.6
73.02921	29.9
73.54478	1.1
75.04429	1.6
75.87719	1.1
79.05073	2.0
79.05492	25.1
81.03419	25.2
81.06597	2.0
81.07059	37.7
83.04967	4.8
83.08607	4.6
85.02905	100.0
85.06490	1.3
87.04465	3.9
91.03956	61.8
91.05474	15.2
93.07043	27.2
94.76941	1.2
95.04952	4.4
95.08605	27.0
97.02893	80.5
97.06547	2.9
97.10173	2.8
99.04444	14.5
101.02387	7.8
103.03945	8.3
105.07021	11.6
107.08585	15.2
109.02869	11.9
109.06438	2.1
109.09474	1.4
109.10154	15.7
111.04438	3.0
115.03915	7.0
117.05496	2.1
117.07001	5.2
119.08551	9.3
121.10130	17.5
123.11685	5.8
127.03923	35.4
127.56478	1.2
129.05463	5.5
129.06966	1.8
131.08569	7.8
132.50574	1.2
133.10127	8.7
135.11705	10.5
137.09540	1.2
137.13260	2.6
145.04964	21.7
145.10147	8.5
146.53789	1.3
147.11731	6.4
149.09595	1.2
149.13249	6.5
157.04990	1.3
157.10112	2.3
159.06522	1.8
159.07961	1.4
159.11684	6.7
161.13251	4.2
163.06009	6.3
163.14842	2.8
171.06628	1.7
171.11671	2.1
173.13309	6.2
177.12749	1.1
183.06581	6.7
183.11705	1.6
185.13347	1.5
187.14796	2.8
191.14365	1.4
201.07654	6.2
201.09093	1.3
233.19250	1.2
241.84909	1.5
243.21039	3.6
259.20642	1.9
261.22125	13.4
285.22278	1.6
301.21567	1.3
303.23203	1.4
335.25797	57.4
336.26019	2.0
345.24115	1.3
363.25372	3.2
369.24091	2.7
405.26331	1.3
443.28076	2.4
461.28702	1.6
479.29977	6.3
522.30200	1.4
627.20929	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69996	12.5
61.15816	11.8
66.63812	12.2
67.05492	21.8
70.05469	12.8
71.03280	31.2
89.38483	12.2
91.71801	15.6
93.07037	13.8
106.93903	12.7
136.06137	19.5
293.21246	24.0
297.13187	15.7
330.85364	18.5
386.16629	15.0
468.88562	16.0
620.26086	15.7
659.22552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24319	0.3
53.03942	0.4
55.05499	0.6
57.03416	0.9
61.02935	0.4
67.05493	0.6
69.03427	2.1
69.07056	0.6
69.88328	1.6
70.06582	0.9
71.04951	0.4
72.08134	0.3
73.02892	0.5
79.05481	0.7
81.03397	1.2
81.07043	0.9
85.02910	2.9
86.09711	0.5
87.77074	0.3
91.05477	1.0
92.44643	0.3
93.07027	0.9
94.78045	0.3
95.04951	0.5
95.08604	1.0
97.02856	1.1
97.06506	0.4
103.05427	0.5
105.07005	1.1
107.04937	0.5
107.08566	0.7
109.02846	0.5
109.10175	0.5
119.08556	0.9
121.06497	0.8
121.10146	0.5
123.08079	0.4
127.03899	1.1
128.07126	0.4
131.04965	0.5
133.06511	0.6
133.10098	0.6
147.04469	0.5
147.08052	0.5
149.06020	0.7
151.03906	0.4
159.11731	0.4
161.05946	0.5
167.07013	1.4
175.03868	0.4
177.05591	0.5
179.07047	0.4
182.09421	0.7
187.06285	0.9
198.05559	0.5
202.08620	2.7
207.06575	0.5
210.08949	0.3
212.07091	0.4
214.08698	0.4
214.98409	0.3
215.03746	0.3
215.05763	7.4
216.06367	0.4
226.05045	0.4
228.06523	1.0
229.07208	0.5
230.08139	2.1
241.07324	0.5
242.08072	2.0
243.05299	5.7
244.06004	1.1
254.08136	1.5
256.06137	0.5
257.06677	0.4
258.07620	100.0
259.07974	2.6
270.07495	2.8
271.04691	0.7
272.05582	1.0
272.08783	0.5
273.06250	2.1
284.06210	0.4
284.09067	2.1
286.07098	87.5
287.07794	6.0
288.08643	3.9
298.07144	0.6
300.09027	0.4
328.08151	1.8
385.10120	0.4
460.62680	0.4
466.14984	1.0
478.14844	4.1
496.16010	89.7
497.16422	3.9
538.17261	0.6
599.25262	0.4
658.21118	15.8
659.20148	0.4
659.27844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
66.82018	3.3
66.92689	2.8
72.44646	3.3
79.05474	3.0
80.31252	2.7
81.07094	4.2
95.08630	3.9
98.21553	7.1
100.07525	2.9
103.06923	3.0
121.83066	2.8
122.55857	3.0
146.47176	3.0
170.68755	3.2
222.65666	3.1
377.17508	3.5
379.19211	6.3
391.20007	3.9
405.20810	5.2
407.18411	5.8
408.19571	5.1
409.20309	6.5
421.20148	6.0
423.21774	20.2
435.21902	6.4
436.22604	3.5
440.24054	3.2
451.21518	3.3
452.57440	3.0
461.23352	5.9
463.20187	3.0
465.22885	4.3
466.23514	3.7
477.22809	6.0
479.24902	6.3
481.21918	4.0
493.21429	5.7
494.26767	4.3
495.23312	13.9
496.25006	6.0
508.24838	14.9
509.25754	8.0
510.26056	10.0
511.26901	14.3
521.25690	6.7
522.25757	4.5
523.23431	4.6
525.27905	4.6
537.25330	19.7
538.25464	8.8
553.27777	9.2
555.25616	4.1
565.25214	3.9
570.27875	5.3
581.27789	23.8
583.25745	5.0
597.27197	54.1
598.27417	11.4
613.30261	89.6
625.26599	100.0
626.26965	6.5
657.28363	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	658.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24319	0.3
53.03942	0.4
55.05499	0.6
57.03416	0.9
61.02935	0.4
67.05493	0.6
69.03427	2.1
69.07056	0.6
69.88328	1.6
70.06582	0.9
71.04951	0.4
72.08134	0.3
73.02892	0.5
79.05481	0.7
81.03397	1.2
81.07043	0.9
85.02910	2.9
86.09711	0.5
87.77074	0.3
91.05477	1.0
92.44643	0.3
93.07027	0.9
94.78045	0.3
95.04951	0.5
95.08604	1.0
97.02856	1.1
97.06506	0.4
103.05427	0.5
105.07005	1.1
107.04937	0.5
107.08566	0.7
109.02846	0.5
109.10175	0.5
119.08556	0.9
121.06497	0.8
121.10146	0.5
123.08079	0.4
127.03899	1.1
128.07126	0.4
131.04965	0.5
133.06511	0.6
133.10098	0.6
147.04469	0.5
147.08052	0.5
149.06020	0.7
151.03906	0.4
159.11731	0.4
161.05946	0.5
167.07013	1.4
175.03868	0.4
177.05591	0.5
179.07047	0.4
182.09421	0.7
187.06285	0.9
198.05559	0.5
202.08620	2.7
207.06575	0.5
210.08949	0.3
212.07091	0.4
214.08698	0.4
214.98409	0.3
215.03746	0.3
215.05763	7.4
216.06367	0.4
226.05045	0.4
228.06523	1.0
229.07208	0.5
230.08139	2.1
241.07324	0.5
242.08072	2.0
243.05299	5.7
244.06004	1.1
254.08136	1.5
256.06137	0.5
257.06677	0.4
258.07620	100.0
259.07974	2.6
270.07495	2.8
271.04691	0.7
272.05582	1.0
272.08783	0.5
273.06250	2.1
284.06210	0.4
284.09067	2.1
286.07098	87.5
287.07794	6.0
288.08643	3.9
298.07144	0.6
300.09027	0.4
328.08151	1.8
385.10120	0.4
460.62680	0.4
466.14984	1.0
478.14844	4.1
496.16010	89.7
497.16422	3.9
538.17261	0.6
599.25262	0.4
658.21118	15.8
659.20148	0.4
659.27844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2303
Annotation	Tiegusanin D
Peak:m/z	Relative Intensity
52.64470	0.3
67.05498	1.0
69.07058	0.5
70.66454	1.0
70.66808	0.5
79.05499	0.6
81.03411	0.6
81.07054	0.8
91.05460	0.6
93.07000	0.5
95.08592	0.5
105.07008	0.4
107.08604	0.4
109.10220	0.4
125.09706	0.5
159.04370	0.4
173.04428	0.4
200.10789	0.4
224.00780	3.9
225.01506	0.6
227.03122	1.1
228.03923	0.5
229.14331	0.5
267.02740	1.3
269.07819	0.8
269.17670	0.4
297.07401	2.1
309.07434	1.2
311.09137	0.4
327.08377	19.4
328.08658	0.6
353.13605	7.6
371.14450	0.5
397.12369	2.0
454.66293	0.4
650.65698	0.4
657.23004	100.0
658.23401	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	657.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30418	2.4
55.67094	2.5
58.24133	2.2
69.19305	16.7
69.19727	11.3
78.52196	2.5
81.07084	3.2
89.62615	2.6
98.21326	11.3
182.07326	2.5
211.12527	2.6
235.12383	2.7
347.74362	2.6
374.16238	3.1
379.19232	3.8
381.20337	3.5
391.19281	5.1
392.20111	3.3
393.16919	3.7
407.22458	3.7
408.19308	5.3
409.19986	4.3
421.20218	5.4
422.20966	4.4
423.21750	18.7
424.22443	3.1
431.18585	4.7
433.20258	4.5
434.21033	3.3
435.21756	8.9
436.22900	3.8
451.21182	3.7
461.23187	11.0
468.24615	5.7
477.22546	7.0
479.23926	4.1
481.22372	3.9
491.21072	2.7
493.21780	5.2
494.27069	5.6
495.23663	12.6
496.24344	5.5
508.24704	11.7
509.25485	12.0
510.25970	10.9
511.26956	11.5
521.25348	6.8
523.23267	5.1
537.25189	19.6
538.25909	11.8
549.23694	2.7
551.22540	3.9
553.27673	8.4
565.24353	4.3
566.24951	4.9
570.28253	5.1
581.27649	21.4
583.25238	6.6
597.27045	59.5
598.27588	10.0
607.24811	3.5
613.30225	67.9
614.30566	4.4
625.26581	100.0
626.26697	4.6
657.28546	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	655.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89945	3.4
53.03938	15.1
55.01869	5.1
55.05307	3.1
55.05508	31.7
57.03432	3.4
57.07072	17.9
59.04995	5.1
65.03944	5.2
67.05505	42.6
69.03425	18.1
69.07069	33.5
69.93217	18.3
71.04995	19.6
75.04475	8.2
79.05498	38.2
81.03413	34.3
81.07052	72.6
83.04492	5.6
83.04980	87.6
83.08588	6.3
85.02898	5.0
85.06516	5.4
87.04469	4.0
91.05482	48.4
93.07042	65.4
95.04966	45.7
95.08605	93.2
97.06550	21.2
97.10150	6.2
99.04438	11.7
105.07030	71.8
107.08593	100.0
109.06506	25.5
109.10152	64.5
111.08084	7.3
111.11722	3.4
113.06011	4.3
117.05451	3.7
117.07020	15.0
119.08578	89.6
121.06507	14.4
121.10135	92.5
123.08029	12.5
123.11703	31.9
125.05958	10.8
128.06224	10.7
129.07021	21.6
130.07759	4.6
131.08556	41.7
133.06488	3.7
133.10118	76.9
135.08055	18.4
135.11685	41.8
137.09596	6.3
137.13240	13.9
139.07542	13.8
141.06950	8.0
142.07755	8.5
143.06999	4.2
143.07408	4.0
143.08543	36.4
144.09303	5.6
145.10117	53.6
147.08044	14.3
147.11679	53.1
149.09622	14.2
149.13257	20.2
151.11157	21.5
155.08501	15.3
156.09306	7.2
157.08714	5.7
157.10127	48.1
158.10910	5.7
159.08089	5.0
159.11705	51.9
161.09612	14.6
161.13239	20.3
163.11176	8.6
163.14813	10.5
167.08582	6.2
167.44592	3.2
168.09328	4.7
169.10115	15.0
169.12225	6.7
171.11682	33.4
172.12401	3.5
173.09618	8.9
173.13269	35.9
175.01544	31.7
175.11214	13.4
175.14845	22.6
177.12807	7.1
177.16376	7.5
179.08600	4.9
179.14339	4.9
181.02608	37.4
181.10095	5.4
183.11673	28.6
184.12457	7.3
185.13219	38.4
186.13921	4.3
187.11163	10.2
187.14830	32.0
189.12778	9.3
189.16376	26.0
191.17952	5.2
193.10054	4.3
195.11702	11.5
196.12476	5.6
197.13324	25.9
199.11205	5.2
199.14803	49.0
200.15601	13.0
201.12759	12.0
201.16386	66.3
203.14268	5.3
203.17917	8.8
205.15869	12.9
207.13872	4.4
209.13231	13.1
211.14737	17.0
213.12733	9.5
213.16389	17.6
215.14331	12.2
215.17955	31.5
217.15956	20.3
219.13785	7.4
219.17340	4.1
223.14819	10.3
225.16364	9.9
227.04668	12.8
227.14319	10.1
227.17847	15.5
229.15880	5.8
229.19444	12.7
231.13731	5.1
231.17444	5.7
233.15352	4.4
235.14735	6.6
237.16339	8.6
239.14314	5.2
239.17944	12.1
241.15794	4.0
241.19562	8.1
243.17395	4.3
245.15373	9.4
245.18883	3.4
249.16524	5.0
251.18019	8.2
253.19572	8.1
255.21063	7.6
265.19586	6.8
267.21008	6.2
269.18878	6.5
269.22659	4.3
279.17621	3.6
279.20972	4.9
293.22543	7.0
295.24225	34.6
297.25729	4.8
309.25726	7.8
311.23776	15.2
313.11887	23.1
313.25153	19.4
319.24066	8.9
321.25714	16.1
327.26434	4.3
333.25565	6.7
335.27356	10.2
337.25168	7.4
339.26794	14.1
351.26816	4.9
353.28439	12.3
355.26660	4.4
363.22653	4.4
363.26788	51.7
369.17886	8.4
375.26517	4.7
377.28314	12.4
381.27847	43.8
383.64893	3.6
393.27640	5.9
395.29642	21.4
413.30582	9.8
415.29974	10.9
421.31033	5.9
433.31079	39.5
451.32089	81.4
469.26663	5.2
469.33163	72.1
487.12051	3.7
487.34015	34.7
531.37866	5.7
543.19202	19.4
544.18988	4.4
549.39514	16.3
567.25568	4.1
585.27087	8.1
595.25360	14.2
599.25372	40.4
601.41693	3.7
613.26343	12.7
614.26257	4.7
619.43048	7.5
637.44379	9.3
655.31177	33.3
655.44897	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	655.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.6
55.65630	0.7
57.03444	4.7
57.07079	37.0
59.05043	0.7
61.02706	0.6
61.02933	7.0
67.05508	10.7
68.05853	0.7
69.03422	1.5
69.07069	6.7
69.76873	0.7
70.06586	0.8
71.08635	28.8
71.53126	0.9
72.61479	0.7
73.02914	3.0
75.04459	1.7
79.05487	2.8
81.03413	1.0
81.07061	16.5
83.04985	0.9
83.08626	9.9
85.02915	8.6
85.10183	16.4
91.03957	7.1
91.05485	2.5
91.98458	0.9
93.07043	2.0
95.04964	1.5
95.08611	21.5
96.08968	1.0
97.02911	3.8
97.10191	5.2
99.11732	1.7
105.06992	2.3
107.08581	2.0
109.10165	10.1
111.11719	0.8
115.28220	0.7
117.07025	1.0
119.08561	2.4
121.10113	1.7
123.11705	4.6
125.13240	0.9
127.03938	3.5
129.06992	0.7
130.06543	4.0
131.08549	2.1
133.10098	1.6
135.11664	0.9
137.13225	1.9
143.08527	1.2
145.04979	3.5
145.10146	2.4
151.14807	1.4
159.11699	1.4
161.09613	0.9
163.06018	5.9
175.11050	0.8
180.47758	0.8
183.49590	0.8
185.13167	0.9
188.07114	0.9
221.22647	0.9
239.23700	27.5
242.97815	0.7
257.24747	4.3
291.19513	1.2
298.27414	1.0
307.70114	0.9
313.27383	100.0
314.27719	3.4
331.28452	14.4
363.26767	1.4
381.27881	1.3
412.98871	0.8
475.32669	2.2
577.24054	3.9
655.27814	4.4
655.51929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	12.8
54.64027	3.9
55.01861	5.2
55.05510	28.4
57.07077	17.8
59.05001	5.7
60.15171	2.6
67.05179	4.2
67.05503	44.7
69.03424	23.2
69.07063	32.0
71.04971	12.6
75.04468	14.3
79.05494	41.6
80.17879	2.6
81.03414	34.4
81.07054	77.3
83.04974	75.7
83.08611	5.3
85.06533	3.5
87.04440	4.9
91.05478	46.2
93.06496	3.4
93.07047	64.4
95.04960	49.4
95.08605	95.2
95.57885	2.8
97.06525	21.8
97.10196	4.1
98.98469	3.1
99.04436	10.5
101.06062	2.9
101.47201	2.9
105.07029	81.3
105.83794	2.7
107.08588	95.2
107.65248	2.7
109.06532	29.7
109.10146	84.6
109.71715	3.0
111.04455	2.9
111.08059	9.2
111.11706	5.3
113.06012	2.9
115.05438	4.4
116.06239	3.2
117.06996	17.0
119.08572	99.8
121.06516	14.6
121.10136	100.0
123.08062	16.8
123.11687	37.3
125.05984	15.1
127.07469	4.4
128.06204	10.4
129.07007	19.8
130.07788	4.4
131.08549	43.3
133.10124	79.6
135.08032	16.3
135.11682	41.3
137.09575	8.6
137.13239	12.5
139.07529	14.8
141.06982	4.2
142.07755	8.6
143.08534	34.1
144.09305	3.6
145.09056	6.1
145.10117	67.1
147.08032	12.0
147.11685	65.0
149.09578	13.3
149.13260	16.5
151.11151	25.0
155.08534	12.6
156.09337	5.9
157.10114	50.8
158.10841	4.0
159.08008	5.6
159.11691	58.0
161.09589	19.6
161.13243	34.6
163.11172	12.6
163.14806	11.5
167.08453	4.5
168.09393	4.9
169.10117	11.7
169.12224	9.7
170.10928	5.7
171.11682	32.2
172.12474	5.1
173.09602	12.5
173.13251	38.6
175.01550	24.1
175.03947	3.0
175.11203	16.1
175.14851	21.7
177.04047	2.9
177.12717	9.1
177.16403	6.7
179.10542	3.6
179.14212	4.6
181.02612	43.6
181.10115	8.2
182.10889	4.5
183.11697	23.3
184.12395	7.6
185.09627	4.2
185.13225	36.3
187.11183	8.5
187.14821	41.9
189.12724	7.3
189.16368	24.2
191.10713	4.5
191.17987	6.2
195.11668	13.6
197.13251	23.3
198.13963	3.6
199.11288	3.8
199.14822	48.5
200.15605	15.7
201.12744	15.3
201.16370	71.2
202.87665	2.9
203.14270	9.1
203.17894	8.6
205.15886	8.2
207.11705	8.7
209.13283	16.1
211.14847	22.1
213.12738	8.4
213.16374	19.3
215.14336	8.6
215.17958	33.9
217.15836	16.2
221.13266	5.6
223.14801	9.5
225.16310	13.4
227.04672	9.9
227.14284	9.2
227.17950	19.6
229.15849	7.3
229.19514	8.7
231.13773	6.0
231.17426	6.4
233.13171	3.2
233.19077	3.5
235.14786	6.5
237.16370	8.4
239.17879	13.0
241.15865	5.6
241.19460	9.7
243.13907	4.2
243.17371	5.5
243.21246	3.6
245.15434	7.8
247.14818	4.4
249.16493	6.1
251.17928	6.2
253.19443	9.3
255.17465	4.6
255.21034	9.2
257.05722	4.0
257.15060	2.9
265.19479	8.6
267.17480	6.5
267.21078	5.5
268.21786	5.7
275.18042	5.2
279.21005	6.4
293.22461	8.6
295.24200	41.6
295.29221	3.5
303.55392	3.4
305.22754	4.2
309.25827	5.1
311.23669	13.3
313.11993	20.1
313.25024	16.4
319.24188	7.8
321.25729	19.2
323.23526	3.4
327.26746	3.9
333.25604	8.6
335.27234	8.1
337.25330	8.1
339.26764	12.3
345.25748	4.9
353.28329	12.3
355.26111	4.1
357.96646	3.2
359.22546	3.8
359.27155	4.3
363.26785	54.2
369.18176	8.6
377.28485	13.0
381.23264	4.3
381.27878	53.7
393.27725	8.7
395.29477	21.3
401.27188	3.8
411.29071	3.4
413.30304	12.5
415.29797	4.7
433.31006	39.2
441.33368	3.9
451.32022	72.2
469.33197	78.4
479.35028	4.8
487.34128	37.9
503.29788	3.7
521.39355	4.4
531.38269	9.8
543.18640	13.6
549.39343	19.5
567.16980	4.1
586.17468	4.4
599.25299	33.8
601.41992	3.3
605.23346	6.6
619.43408	10.7
623.24646	7.2
637.43884	6.5
655.20660	4.1
655.30872	29.4
655.45703	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	655.312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62265	0.2
53.03930	0.2
66.51138	0.2
67.05496	0.7
69.07063	0.5
70.37003	0.4
70.37359	1.0
75.04466	0.4
79.05503	0.8
81.07050	1.0
83.04976	0.5
91.05487	0.4
93.07033	0.8
95.05005	0.3
95.08607	0.7
95.95432	0.2
105.07027	1.0
107.08598	0.7
109.10175	0.7
119.08608	0.9
121.10159	0.7
123.11718	0.3
131.08592	0.5
133.10120	0.6
135.11658	0.4
145.10117	0.4
147.11737	0.4
149.13220	0.3
157.10098	0.4
161.13329	0.3
176.09312	0.3
185.13225	0.2
199.14874	0.3
226.05684	0.2
291.19815	0.4
377.17764	0.4
379.19330	0.4
391.19269	1.4
392.19989	0.6
393.20590	0.5
404.20087	0.3
405.17133	1.4
405.20956	1.2
406.21887	0.6
407.17688	0.4
407.22421	4.2
408.22971	0.4
418.17368	0.5
419.18201	3.1
420.18991	1.5
421.19736	1.5
432.19489	0.6
433.15576	0.6
433.20859	4.2
434.21173	4.5
435.16400	0.5
435.21912	8.3
436.22424	0.9
446.21033	0.5
447.17749	1.4
447.22171	1.7
448.18039	0.5
448.22763	1.1
449.19406	1.6
450.20584	0.3
451.21530	0.5
458.21503	0.3
459.22131	0.4
461.19736	1.7
462.20374	4.6
463.21231	3.9
475.21100	2.0
476.22128	1.1
477.22787	1.6
479.20709	1.1
489.22678	1.1
490.23904	0.6
493.21994	0.8
493.27100	0.3
494.23169	0.5
495.23636	1.3
505.22333	0.4
506.23337	0.4
507.23706	0.9
508.24756	2.1
509.25723	1.7
517.22968	0.3
521.25684	11.8
522.25659	0.9
534.23138	0.3
535.26819	0.8
547.26733	0.4
549.24982	19.4
550.25110	1.4
553.24921	1.1
563.26648	2.6
564.26965	0.5
565.27344	0.4
567.25366	0.3
577.24475	0.5
581.27441	2.9
591.26123	0.3
595.29211	9.5
596.29895	0.6
607.28876	0.4
609.27057	11.1
610.27283	0.4
623.28357	1.6
655.31207	100.0
656.31671	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	655.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
54.30971	0.2
55.01865	0.1
55.05491	0.1
57.03435	0.3
65.03929	1.4
67.01866	0.3
67.05512	0.1
68.99798	0.9
69.03438	1.3
69.07064	0.2
70.06576	0.4
71.04997	0.3
71.52402	0.2
73.02883	0.2
76.03174	0.2
77.03942	0.7
79.05479	0.5
80.51820	0.1
81.03416	5.1
81.07042	0.3
84.08130	0.1
85.02901	1.3
89.03917	0.7
90.04686	0.2
91.05479	21.3
92.05785	0.2
93.07005	0.2
95.04980	0.5
97.02891	0.6
99.04457	0.7
103.05470	0.6
105.03379	1.1
105.07048	0.3
107.04953	0.5
109.02877	2.1
111.00812	0.6
115.93404	0.1
116.07026	0.2
117.03410	0.2
118.04153	0.4
119.04939	30.6
120.05270	0.5
121.02861	8.2
121.06503	0.3
123.08160	0.2
127.03916	2.5
128.06230	0.1
129.03401	0.5
131.04941	0.4
132.02051	1.4
133.02867	1.2
135.04428	0.9
136.05170	0.4
137.02328	1.5
141.07024	0.2
145.02869	1.0
145.06514	0.2
147.04407	27.9
148.04776	0.6
149.02382	1.1
150.03123	0.2
153.01822	3.7
153.03004	0.3
157.03963	3.0
157.06494	0.4
160.01495	0.2
161.05943	0.2
162.03189	0.2
164.04645	0.9
165.01843	1.4
171.02892	0.4
171.04346	0.3
173.05890	0.2
174.03093	0.2
175.03900	48.9
176.04326	1.2
177.05544	0.2
177.79323	0.2
179.07025	2.3
183.02864	0.6
185.05980	0.7
186.18037	0.2
189.05505	0.4
192.04172	0.7
201.05519	0.2
207.06520	100.0
208.06883	2.5
213.05460	1.3
217.04965	0.2
218.05708	0.2
219.06561	0.2
225.07512	0.8
231.06520	0.9
241.05019	1.4
245.04453	0.4
258.05319	0.9
259.05942	0.5
287.05487	73.0
288.05829	2.4
301.53348	0.2
301.69794	0.2
309.09592	0.2
329.06473	0.2
339.05133	0.2
351.10739	8.0
352.10999	0.3
369.11850	4.0
499.08771	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.7
55.05516	26.4
57.03437	7.1
59.04986	5.4
67.05505	47.5
69.03085	4.0
69.03407	23.0
69.07060	20.6
70.33526	15.6
71.04986	9.7
75.04469	15.4
75.34489	4.4
76.17937	4.1
79.05492	58.6
81.03426	9.9
81.07050	68.6
81.07473	6.7
83.04977	27.0
83.08606	6.5
85.02921	4.6
91.05473	44.3
93.07038	73.0
95.04975	40.9
95.08064	6.4
95.08611	80.4
97.06516	25.0
98.25803	4.8
99.04463	7.9
105.07034	67.9
107.04961	8.5
107.08590	97.8
109.06527	16.5
109.10164	68.4
111.04469	7.0
111.08076	6.5
117.07060	21.6
119.08587	93.9
121.06544	8.8
121.10148	100.0
123.08065	12.0
123.11694	26.8
125.06022	5.7
128.06264	6.0
129.07008	17.0
131.08589	40.0
133.10139	74.2
135.08023	16.8
135.11711	40.6
137.09605	6.6
137.13226	17.3
139.07549	9.2
142.07820	5.0
143.07043	7.3
143.08551	31.5
145.10114	60.3
147.08044	7.7
147.11667	45.0
149.09631	14.9
149.13219	20.4
151.11208	7.5
155.08577	10.9
156.09343	7.6
157.10146	35.6
158.10942	6.5
159.11693	61.8
161.09604	10.1
161.13239	28.4
163.11185	11.2
163.14781	5.2
165.12729	4.7
167.08563	6.4
167.10703	5.0
169.10155	17.3
170.10872	4.7
170.12984	4.4
171.11665	28.4
173.09593	10.2
173.13255	41.4
175.09756	4.5
175.11183	17.8
175.14835	27.8
177.12756	9.4
177.16289	5.5
181.10022	6.4
183.11703	23.3
184.07378	5.8
185.13283	35.8
187.11200	6.7
187.14796	36.0
189.12801	6.3
189.16428	21.3
193.10303	4.6
195.11740	10.5
197.13275	29.8
198.13918	7.5
199.14809	50.2
200.15543	12.5
201.12646	6.3
201.16393	69.0
203.14374	10.5
203.17952	10.4
205.15932	9.3
207.11728	6.6
209.13240	11.2
211.14833	15.7
212.15588	6.5
213.12724	9.4
213.16354	18.0
215.14375	9.5
215.17909	35.1
215.19562	3.5
217.15871	18.1
219.17334	4.5
221.13364	4.7
223.14835	11.8
225.16420	15.2
227.17964	17.7
229.19547	14.8
231.17346	6.8
237.16438	7.3
239.17982	9.8
240.46265	4.3
241.15846	9.2
241.19627	6.6
245.15343	7.8
247.16977	4.2
249.16621	5.4
251.17990	9.0
253.19652	10.5
254.01955	4.7
255.17599	5.8
257.22714	5.4
267.17419	4.7
269.22656	5.9
281.22552	4.8
293.22623	8.3
295.24207	52.2
297.25565	6.0
302.21014	4.4
311.23724	13.2
313.25354	16.5
319.24265	9.3
321.25739	17.1
323.19861	4.9
333.25418	6.5
335.27460	5.7
337.21463	6.6
337.25226	10.1
339.26740	14.4
353.28458	9.7
363.26813	43.7
377.28302	24.2
381.27829	49.7
382.28110	5.8
395.29324	17.9
413.30460	9.0
415.29932	5.9
433.31265	31.5
451.32074	87.7
469.33173	61.7
471.77167	4.0
487.34167	31.3
529.37268	5.4
547.37659	11.0
563.36749	4.3
569.13898	8.0
579.39606	4.9
584.16162	6.6
635.42755	5.0
653.44720	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	653.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.3
54.22847	2.9
54.43801	2.2
55.01858	2.7
55.05508	21.0
56.87813	2.1
57.03432	4.2
57.07059	5.5
57.49026	2.8
59.04987	5.5
65.03938	5.3
67.05183	3.1
67.05503	34.2
68.05843	2.3
69.03436	17.4
69.07076	25.0
69.44187	8.6
69.44612	11.1
71.05000	13.7
75.04482	9.3
79.05491	56.8
81.03408	10.4
81.07056	58.4
83.04985	34.4
83.08598	7.7
84.10794	2.8
85.02879	2.5
85.06553	3.0
87.04470	4.1
91.05476	47.9
93.07041	79.7
95.04963	39.4
95.08602	76.7
97.06545	20.0
97.10168	3.5
99.04431	10.2
99.08073	2.7
103.05450	4.1
105.07028	61.3
107.04951	5.7
107.07878	5.3
107.08592	100.0
108.08928	2.3
109.06522	23.5
109.10154	63.4
111.04417	4.2
111.08070	4.7
111.11680	2.3
113.05977	3.7
115.05463	6.7
117.07007	16.9
119.08578	76.6
121.06483	12.1
121.10140	95.9
122.10536	2.5
123.08051	11.3
123.11708	24.7
125.06004	13.0
125.09609	3.9
127.05203	2.6
127.07589	2.6
128.06241	4.5
129.06976	13.6
131.08580	40.2
133.06500	5.3
133.10133	72.4
134.31427	2.6
135.08038	13.7
135.11690	38.5
137.09654	5.5
137.13255	11.3
139.07509	13.9
141.06958	5.6
141.25351	2.6
142.07793	7.3
142.61717	2.3
143.06989	3.1
143.07413	2.6
143.08556	29.3
144.09265	3.0
145.09055	4.2
145.10126	54.0
147.07985	7.5
147.11678	38.5
149.09621	13.2
149.13277	17.4
151.07579	4.1
151.11209	6.2
153.06935	2.6
155.07056	2.2
155.08499	11.0
156.09317	5.4
157.10124	43.5
159.08032	5.2
159.11685	51.5
160.88120	2.2
161.09616	11.8
161.13234	29.6
163.11140	7.5
163.14842	8.8
165.06866	2.7
165.12758	6.0
167.08636	3.2
169.10126	15.4
170.10928	2.9
171.11693	31.4
172.12372	3.2
173.09654	11.7
173.13255	36.7
175.03873	2.2
175.11162	12.1
175.14813	18.1
177.12740	7.5
177.16295	6.0
179.08522	3.9
179.14290	2.3
181.10123	6.9
182.10931	2.7
183.11676	22.4
184.12437	4.0
185.09659	2.3
185.13242	33.0
187.11230	5.0
187.14807	32.8
189.12747	8.1
189.16396	19.0
191.14368	2.5
191.17990	2.8
193.10178	3.5
195.11705	10.9
196.12444	3.5
197.13266	18.7
198.14108	3.2
198.53348	2.4
199.11200	4.0
199.14809	45.3
200.15527	9.5
201.12802	11.4
201.14577	4.6
201.16383	65.3
203.14296	8.5
203.17928	9.7
205.12216	2.8
205.15919	5.1
207.11691	4.2
208.12605	2.2
209.13264	11.2
211.14717	14.1
213.12737	9.9
213.16353	13.0
215.14337	9.6
215.17944	28.2
217.15836	16.0
219.17345	2.9
221.13248	4.4
223.14774	9.9
225.12758	2.6
225.16382	12.6
227.14305	7.8
227.17921	13.4
228.18443	2.8
229.15845	6.2
229.19542	9.9
231.13759	5.7
231.17386	5.1
231.21030	4.6
235.14809	3.8
236.15688	3.0
237.16438	6.4
239.17931	7.8
241.15938	6.1
241.19540	8.9
243.17390	3.0
243.21141	3.6
245.15405	6.3
245.19019	2.8
247.16978	3.0
249.16493	3.7
251.18019	8.5
253.15886	3.8
253.19641	5.9
254.01839	8.9
255.17366	2.8
255.21086	8.6
257.22784	2.4
263.16113	3.0
265.19507	7.4
267.17416	4.8
267.21127	4.9
269.19101	2.8
269.22592	3.0
279.17670	2.7
279.21133	5.0
293.19250	4.2
293.22595	6.9
295.24158	39.0
297.25864	4.8
301.14249	3.3
303.21078	2.8
311.23712	10.9
313.25159	13.7
319.24167	5.2
321.22433	3.7
321.25653	15.0
333.25610	10.4
335.27188	8.4
337.25146	6.2
339.26794	13.0
345.25714	3.0
347.27487	3.2
351.26727	3.6
353.28342	11.7
355.26465	3.9
363.22626	4.9
363.26813	41.1
375.26257	3.2
377.28268	9.0
381.27850	36.9
393.27533	4.4
395.13110	2.5
395.29669	12.2
403.29987	3.3
409.12787	4.7
413.30505	6.5
415.29904	11.4
421.30939	4.5
433.31024	30.6
451.32080	65.0
469.33112	63.2
470.33664	3.0
487.34204	33.9
519.38312	3.4
529.36493	5.1
547.37872	11.0
579.40643	3.0
599.40631	4.8
617.41870	5.0
635.42151	5.8
653.24030	9.7
653.43701	9.6
654.24066	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04283	2.2
50.27982	2.3
67.09380	2.4
70.17986	9.6
81.75310	2.3
113.84743	2.4
127.68491	2.3
166.84805	2.6
237.13885	2.6
309.12778	2.6
402.58057	2.5
443.18640	3.4
444.19049	4.2
445.20346	3.5
446.21063	3.2
447.21844	5.1
459.21719	5.9
460.22733	2.7
487.21463	11.7
515.20850	3.7
529.22101	2.6
561.24915	100.0
589.24261	7.8
592.31122	2.8
621.27002	77.7
653.28314	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	653.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.01868	5.7
55.05510	20.9
57.03442	4.2
57.07069	4.2
58.04671	2.8
58.99894	2.6
59.04993	4.9
67.05505	31.7
69.03424	14.4
69.07072	23.6
70.06590	3.8
71.05006	13.1
75.04483	9.3
79.05496	51.8
81.03416	8.8
81.07056	59.0
83.04984	28.1
83.08607	9.2
85.06538	3.5
91.05476	43.2
93.07040	79.0
95.04968	36.3
95.07993	3.7
95.08606	70.6
95.09182	5.5
96.04618	2.6
97.06528	19.8
97.10159	4.8
98.20716	4.6
99.04454	8.3
103.05481	2.8
105.07032	56.8
107.04930	7.6
107.08596	93.4
109.06570	18.8
109.09469	4.7
109.10163	59.0
111.08116	4.5
111.11744	3.3
113.06059	3.8
117.07011	16.7
119.08581	79.4
121.06516	10.2
121.10146	100.0
123.08080	11.6
123.11718	26.9
125.06003	7.9
128.06218	6.5
129.06993	12.6
131.08557	34.4
133.06494	3.4
133.10132	62.5
135.08083	11.3
135.11691	30.2
137.05957	4.9
137.09612	3.7
137.13235	11.9
139.07524	8.2
141.06944	4.6
142.07742	7.2
142.70976	2.8
143.07076	4.5
143.08569	28.5
145.10133	53.1
145.11218	2.2
147.08054	5.0
147.11688	44.8
149.09636	13.0
149.13240	17.0
151.11246	5.9
155.08527	14.6
156.09351	5.5
157.08757	4.0
157.10124	37.8
158.10887	4.8
159.08046	4.6
159.11707	52.1
161.09627	13.9
161.13239	24.0
163.11160	8.9
163.14830	7.5
165.12807	3.0
167.08589	3.5
169.10081	17.2
170.10863	4.3
171.11682	29.1
172.12520	2.8
173.09666	10.9
173.13232	31.8
175.09781	3.2
175.11192	11.9
175.14859	19.3
177.12784	9.6
177.16348	6.3
177.36200	3.5
179.08586	4.1
181.10114	8.1
183.11687	22.9
184.12349	4.6
185.13228	30.2
187.11151	6.7
187.14841	30.7
189.12711	4.8
189.16399	20.2
191.14316	3.9
191.17905	2.4
192.97806	3.7
193.10149	5.3
195.11711	11.6
197.13229	18.6
199.11113	5.0
199.14809	39.6
200.15617	13.5
201.12741	11.4
201.16362	55.2
203.14372	6.6
203.18010	10.0
205.15837	5.4
209.13312	11.9
211.14890	12.5
213.12750	7.6
213.16272	15.3
215.14351	5.0
215.17966	24.4
217.15871	15.4
219.11801	3.1
219.17508	4.6
221.13301	4.3
223.14796	8.8
225.16417	10.0
227.14336	8.6
227.17903	13.3
229.15869	3.9
229.19566	10.6
231.13872	5.9
231.17448	4.2
235.14841	6.7
237.16408	9.6
239.14288	3.9
239.17987	6.1
241.15773	3.1
241.19537	7.9
245.15602	3.5
245.18977	2.9
249.16484	3.7
251.18013	6.4
253.19484	5.9
255.17398	3.1
255.21063	6.6
261.16595	3.4
263.18253	4.4
265.19455	3.6
267.17554	3.7
267.21069	3.8
277.19519	3.1
279.21274	4.2
289.19629	5.8
293.19070	3.6
293.22589	5.9
295.24207	29.2
311.23563	9.0
313.25195	13.1
319.24191	5.9
321.25742	17.8
333.25705	7.0
335.27328	5.7
337.25308	7.6
339.26831	10.1
345.25705	3.4
353.28406	10.2
355.26276	3.6
363.26801	41.1
377.28247	9.5
381.27887	30.7
393.28040	5.5
395.29272	10.0
403.29950	4.5
413.30676	7.3
415.30045	7.7
433.30936	32.0
451.32025	57.3
469.33173	60.7
479.35049	3.6
487.34158	31.2
529.36688	6.3
547.37598	17.4
599.41199	4.4
617.41748	5.8
625.38763	2.7
635.43475	4.2
653.29456	3.8
653.43152	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	653.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21946	7.1
53.06942	7.3
57.10598	6.9
61.58586	5.9
63.56975	7.1
202.66878	7.7
247.40619	7.3
267.11172	11.7
316.09808	7.3
322.12408	7.6
385.13956	8.9
445.20377	11.1
447.22113	12.2
473.20328	9.9
474.20700	7.6
541.06494	7.3
549.24585	8.3
561.24817	19.7
565.24738	9.2
575.22638	9.2
620.26526	100.0
621.23761	17.5
625.26300	15.3
635.24908	17.8
653.26874	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	653.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40762	0.2
53.03946	1.4
53.52129	0.2
55.01881	0.5
55.05521	0.6
57.03438	0.7
61.02929	0.7
67.05512	0.5
69.03428	4.8
69.03773	0.3
69.07088	0.4
70.06593	1.8
70.41003	0.5
71.04995	1.4
72.08160	0.4
73.02922	1.2
76.02248	0.3
79.05507	0.5
81.03420	6.2
81.07070	0.8
82.41846	0.2
83.04990	0.5
83.08621	0.3
84.04501	0.3
84.08151	0.4
85.02908	11.5
86.03228	0.2
86.06062	0.2
86.09701	0.9
87.04489	0.5
89.53476	0.2
91.03979	0.2
91.05478	1.2
93.03419	0.2
93.07049	0.6
95.04951	0.4
95.08613	0.7
97.02895	8.1
97.06539	0.4
99.04456	9.2
100.11278	0.4
103.03944	8.2
105.03416	0.2
105.07046	0.4
107.04969	0.4
107.08611	0.5
108.08144	0.2
109.02876	5.7
109.03593	0.4
109.06549	0.4
109.10162	0.3
110.07230	0.3
111.04460	0.4
114.05630	0.2
115.03928	0.4
119.04966	0.8
119.08618	0.4
120.08153	0.3
121.02871	0.6
121.06483	0.2
121.10107	0.3
123.04424	0.4
123.08148	0.3
123.11719	0.2
127.03918	16.5
128.04262	0.2
128.07132	0.2
129.06955	0.2
131.08597	0.3
133.02890	0.3
134.03653	0.3
135.04393	0.3
135.08092	0.3
135.11745	0.2
136.07578	0.4
137.05977	0.9
137.09607	0.2
138.09163	0.3
139.00377	0.2
145.04961	6.6
145.10103	0.3
146.03697	0.2
147.04440	1.4
149.09755	0.2
151.03935	1.2
151.04970	0.2
151.07448	0.2
161.05925	0.2
162.05518	0.4
163.03911	0.2
163.06044	1.0
165.09212	0.2
167.07051	0.5
168.00546	0.2
169.01376	0.8
169.05043	0.3
173.05911	0.3
175.03932	0.8
177.05493	0.6
179.04861	0.3
181.04944	0.2
182.15396	0.3
183.02946	0.5
186.01559	0.2
187.06035	1.8
201.05681	0.2
207.06569	1.7
210.14864	0.2
233.04526	0.4
244.03676	1.1
245.04532	0.6
258.05289	0.3
259.05978	0.3
261.03915	1.7
271.02533	0.2
271.08105	0.5
272.03232	1.6
273.03870	1.8
275.05292	0.3
287.05414	1.0
289.03412	3.3
290.03693	0.2
300.02640	1.7
301.03439	8.4
302.03586	0.4
303.04987	0.6
315.04938	2.8
317.03021	1.7
331.04492	1.0
332.05261	27.5
333.05621	0.9
346.06998	0.4
347.07605	100.0
348.08014	4.0
351.24432	0.3
373.10272	0.4
385.64423	0.2
389.08640	1.0
413.08633	0.3
455.09671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.5
57.07073	2.5
62.32049	1.0
65.03931	5.1
66.55021	1.0
66.91187	1.1
67.05506	26.4
69.07058	4.8
70.56969	2.4
71.04976	2.0
79.05471	2.1
81.07018	1.7
83.04975	1.6
85.06540	18.9
89.03899	1.5
91.05466	5.3
93.07051	2.2
95.08603	2.6
107.08578	2.0
109.10162	1.3
111.11667	1.2
115.05441	1.6
119.04933	3.3
119.08550	1.3
121.10180	2.1
128.06178	1.9
131.04961	5.4
133.10130	1.8
143.08571	1.6
145.02829	2.5
147.04399	17.1
157.02829	3.6
159.04396	9.6
163.03886	4.2
169.10143	1.2
171.04419	1.3
173.02336	9.6
173.05963	1.4
175.03911	100.0
176.04361	1.9
177.05463	6.7
185.02333	1.5
187.03906	27.4
187.07523	2.3
189.05507	8.3
195.08339	1.3
199.03902	11.2
199.07504	4.6
199.52950	1.0
201.01875	13.3
201.05470	5.8
202.02583	1.3
203.03400	77.4
203.07101	3.6
204.03745	1.4
211.07626	1.6
213.05516	3.7
213.09131	2.6
215.07060	2.7
217.08553	1.7
223.07541	1.3
226.06232	6.0
227.07076	6.7
229.08583	27.2
231.10211	6.6
241.08595	27.3
243.10162	23.1
245.08066	2.4
247.09666	76.6
255.10223	4.7
257.08017	1.4
259.09680	6.2
259.12073	1.1
269.05270	2.0
269.08099	26.9
269.11145	1.4
270.08380	1.8
287.09131	14.0
295.13336	10.6
313.14368	35.3
331.15424	35.3
358.17227	1.1
433.99234	1.3
485.26917	1.3
604.00140	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.0
55.01866	8.4
55.05505	3.8
57.03431	7.0
59.04988	2.4
60.04509	2.3
61.02905	7.1
67.05496	5.9
69.03097	3.2
69.03433	45.2
69.07050	6.0
69.22820	15.9
69.23232	4.6
70.06572	9.3
70.11883	1.9
71.04974	7.5
72.08137	2.0
73.02907	7.6
79.05477	6.1
81.03415	29.8
81.07047	8.4
82.06610	1.9
83.04958	4.7
84.08120	3.8
85.02907	100.0
85.06512	2.1
86.09712	3.1
87.00831	40.6
87.04445	4.7
91.05482	7.8
92.40595	1.9
93.07031	11.6
95.04961	5.5
95.08595	8.9
97.02293	3.5
97.02898	51.6
97.06522	6.8
99.04467	15.7
105.01868	79.4
105.03391	5.8
105.07026	12.8
107.04959	2.9
107.08588	9.6
109.02882	39.3
109.06505	6.9
109.10157	4.2
111.08073	2.4
116.07086	3.0
117.07004	4.5
119.08570	8.0
120.08056	2.4
121.02860	3.4
121.06464	5.9
121.10139	7.9
123.08039	5.9
123.11690	2.8
127.03912	92.6
129.01781	3.2
129.07001	2.3
133.06483	2.3
133.10098	7.4
135.11699	2.7
136.07497	2.2
136.79117	2.2
137.06001	4.1
137.09576	3.8
139.11168	8.4
143.08522	2.5
145.04958	32.6
145.10164	3.0
147.04381	3.1
147.08076	2.7
147.11673	4.5
151.07590	2.4
151.11214	9.8
152.07109	2.7
159.02872	15.6
159.11632	2.9
161.09663	3.1
161.13248	5.5
163.11273	2.6
166.08591	2.1
167.07024	2.1
171.11681	2.8
177.03903	2.5
189.03925	2.7
189.12740	9.1
196.03102	2.4
207.06548	8.1
207.13797	22.5
213.03908	10.8
225.12872	3.7
225.14859	35.6
231.05002	45.7
249.06078	31.5
253.07086	3.0
271.05878	2.7
347.07660	6.3
357.08102	4.3
359.13208	2.0
375.08994	6.8
393.10330	19.1
411.11469	9.5
474.29245	4.8
551.37585	2.3
652.25208	3.8
652.34283	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	652.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
55.05502	3.5
57.07064	4.2
58.46115	1.2
65.03928	4.9
66.75337	1.1
67.05143	1.2
67.05502	24.9
67.35095	1.1
69.07054	3.5
70.01315	2.4
70.01723	3.6
74.74290	1.0
81.07043	1.3
83.32026	0.9
85.06540	14.5
86.30668	1.2
91.05470	2.8
93.07033	1.4
94.99150	1.2
95.08582	1.9
119.04935	2.0
121.10093	1.4
127.11742	1.1
131.04951	6.3
137.20970	1.1
145.02802	2.3
147.04387	15.5
157.02867	3.3
159.04401	6.0
163.03877	4.5
166.85979	1.1
171.04434	2.0
173.02319	10.5
173.05934	1.8
175.03905	87.9
176.04187	2.1
177.05461	5.9
185.02394	2.3
185.06033	2.1
187.03906	24.7
187.07578	1.9
189.05510	6.3
198.06825	1.3
199.03960	10.1
199.07568	3.5
201.01831	18.7
201.05441	4.3
202.02571	1.8
203.03395	100.0
213.05458	5.0
213.08986	2.4
215.03459	2.0
215.06970	3.1
217.08548	2.8
223.07475	1.6
226.06290	6.3
227.06952	6.2
228.07784	2.3
229.08583	22.6
231.10129	6.7
241.08594	25.2
243.06552	1.3
243.10136	18.6
245.07933	4.1
247.09639	43.2
248.09946	1.5
253.08636	2.3
255.10196	3.6
259.09714	3.9
267.71082	1.3
269.08072	38.6
270.08722	1.3
287.05905	2.5
287.09131	50.4
295.13315	7.3
313.14340	27.7
331.15375	22.0
439.85760	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2806
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
54.37337	1.1
58.18010	1.3
67.05511	1.6
69.54594	2.3
69.55002	4.6
71.08634	1.4
81.07017	2.1
83.08578	1.1
84.35539	1.1
85.10175	1.2
87.16317	1.0
95.08595	2.6
99.06805	1.0
109.10168	1.1
175.03577	1.2
261.98041	1.1
353.13565	10.3
392.19901	1.5
399.16013	1.2
400.16788	1.9
401.17761	5.0
405.21164	1.4
407.22076	2.6
412.17429	1.3
413.17526	3.4
414.18332	4.7
415.19208	8.8
417.20837	1.8
428.20413	2.1
429.21185	7.9
430.21713	2.0
442.17331	1.7
443.17783	2.5
443.22501	4.4
444.19366	4.6
445.19839	2.6
456.19385	2.1
457.20035	4.8
458.20844	3.2
471.22302	7.2
472.22507	4.6
473.19553	6.1
474.20181	2.7
485.19553	1.9
486.20514	6.3
487.21121	2.8
489.18875	1.5
490.19867	3.0
499.21347	8.3
500.21579	2.3
503.24103	3.1
514.15759	3.1
515.16370	1.7
517.22321	7.3
527.20587	2.6
531.24133	10.8
549.24707	5.3
559.23407	94.7
560.23621	3.1
587.22803	17.8
591.25214	1.7
619.25494	100.0
620.25171	2.9
651.18103	2.0
651.28296	22.0
651.40454	1.1
651.44647	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	651.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01867	1.7
55.05516	4.3
55.06118	0.5
57.03428	2.6
59.04980	0.6
61.02935	2.8
65.03933	0.6
66.70412	0.6
67.05508	3.6
67.32736	0.5
69.03431	16.8
69.07065	4.2
69.36975	5.1
70.01913	0.5
70.06591	4.3
71.01348	0.7
71.05019	2.8
72.08155	0.9
73.02909	2.5
77.17844	0.6
78.55049	0.5
79.05502	4.3
81.03416	6.4
81.07047	4.8
82.03715	0.5
83.01336	0.5
83.04977	2.7
83.05415	0.6
83.08607	0.7
84.04456	0.6
84.08153	1.4
85.02908	16.5
85.06522	1.4
86.09701	1.9
86.23988	0.6
87.00819	1.9
87.04485	0.9
91.03960	0.7
91.05473	5.5
93.07020	4.8
95.04964	2.9
95.08601	4.5
97.02895	9.4
97.06522	4.4
97.10186	1.7
98.21440	1.1
99.04463	3.2
101.06013	0.6
105.01865	7.1
105.07037	7.6
107.04953	1.4
107.08599	6.4
108.08163	0.5
109.02869	6.1
109.06519	1.8
109.10175	2.3
110.07180	0.7
111.04390	0.7
111.08094	2.2
113.05977	1.3
115.03863	0.5
115.05481	0.5
115.07552	0.8
117.07017	2.1
119.04969	1.7
119.08586	8.2
120.08086	0.9
121.02860	1.7
121.06481	2.8
121.10134	4.4
122.06892	0.6
123.08099	1.5
123.11755	0.9
125.05984	1.4
125.09634	0.8
127.03916	8.9
128.06226	1.1
129.07011	2.5
129.10260	0.6
131.04869	0.8
131.08559	4.0
133.06491	1.6
133.10130	5.5
135.04446	0.9
135.08087	2.5
135.11699	2.0
137.05963	1.0
137.09657	1.4
138.09096	0.7
141.06985	0.8
143.08536	3.2
145.04951	2.8
145.06525	0.9
145.10133	7.2
147.04449	1.3
147.08058	3.1
147.11693	3.0
149.09644	3.9
151.03918	2.0
151.07553	0.9
151.11206	1.6
152.07076	2.2
155.08580	2.2
155.10591	0.7
156.09348	1.4
157.06560	0.7
157.10118	4.2
158.10838	0.6
159.08031	1.8
159.11658	3.9
161.09589	5.1
161.13219	2.7
163.11186	2.1
165.09084	1.2
167.07130	1.1
167.10704	2.6
169.05011	0.7
169.08829	0.7
169.10179	2.5
171.11688	3.6
173.09621	4.1
173.13286	2.9
175.03937	1.7
175.11147	3.0
175.14803	0.9
177.05484	1.1
177.09145	1.1
179.08585	0.9
179.10704	5.0
181.10146	1.3
182.10950	0.9
182.15471	0.6
183.11655	3.0
185.13306	2.2
187.11212	1.9
187.14854	2.2
189.12761	1.7
191.10683	2.3
193.10165	1.8
193.12259	2.1
195.11729	2.1
197.09572	0.9
197.13303	2.4
199.11185	1.0
199.14844	1.0
201.12720	1.1
203.10577	0.9
203.14342	1.1
204.06488	0.8
205.12254	1.8
207.06592	2.3
207.11871	1.4
207.13815	1.4
209.13278	1.7
211.11122	0.9
211.14874	1.8
213.03943	1.0
213.12746	1.0
213.16454	0.8
215.10751	1.5
215.14398	1.5
217.12343	1.0
217.15918	0.6
221.13297	1.4
225.12903	1.0
225.14914	2.1
227.14418	1.3
229.15968	0.9
231.04927	3.3
233.15344	4.1
235.14749	1.1
237.16496	0.8
241.15863	0.9
243.13895	0.9
245.15428	1.1
247.17018	0.8
249.05989	3.2
251.14568	0.7
259.11383	0.7
271.06009	0.7
282.15356	0.6
284.06488	0.6
284.18411	0.6
299.20328	0.7
302.06750	0.6
309.07706	1.5
311.20313	0.9
313.18164	0.7
316.16843	0.8
317.17526	1.2
321.07675	0.7
325.21649	1.2
343.22760	1.1
345.05844	1.2
351.08499	0.7
369.24152	0.7
387.25330	2.5
393.10306	1.3
395.25903	0.8
403.15106	1.4
411.25455	1.8
413.26849	3.9
429.26480	3.4
435.10953	0.6
447.27429	0.8
455.28128	1.8
456.52472	0.6
473.29047	18.5
474.29379	1.1
487.83093	0.6
489.28583	6.3
490.29474	0.6
523.25665	0.6
597.38074	0.7
651.33752	100.0
652.33765	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	649.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
54.75677	0.7
55.05495	1.1
67.05499	2.5
69.03426	2.4
69.07066	1.9
69.51125	3.4
69.51551	1.9
70.06589	3.1
71.04965	1.1
79.05485	2.2
81.03402	2.8
81.07043	2.7
82.06577	1.4
83.04974	0.8
84.04500	2.2
84.08124	1.0
85.02898	3.1
86.06072	0.8
86.09692	1.3
91.05479	3.9
93.07042	4.3
94.06554	4.0
95.04977	2.2
95.07336	2.7
95.08630	1.7
96.08128	8.4
97.02895	1.7
97.06499	1.3
99.04458	0.9
101.07153	1.6
103.05434	0.9
105.03361	1.6
105.07024	2.1
107.08595	1.7
108.08118	4.8
109.02874	1.9
109.06509	0.8
109.10130	2.1
110.09683	12.1
114.05548	1.2
117.07073	0.8
119.04961	3.1
119.08578	1.4
120.04456	0.9
120.08106	10.4
121.06507	1.4
121.10145	1.2
124.07592	2.1
127.03906	2.2
128.07092	3.0
133.10129	1.5
134.06029	0.8
135.04408	0.8
136.07596	3.6
138.09137	16.5
145.04919	1.0
145.10130	1.3
147.04425	2.4
148.07573	3.1
151.03856	1.0
152.07133	1.0
154.04948	0.8
157.10100	1.4
159.08049	1.2
159.11661	1.3
161.05998	0.8
161.09666	1.0
163.03976	1.1
166.08643	18.8
175.03905	2.4
176.10735	1.9
177.05620	0.9
178.04971	1.3
179.03381	1.6
199.12354	0.7
207.06511	5.5
208.07040	0.9
211.08600	0.8
211.12332	1.1
213.10255	1.1
221.07063	0.8
223.12338	1.1
224.13115	0.9
225.10188	4.4
225.13840	0.8
226.11044	3.0
227.11771	1.4
235.08693	3.1
236.09430	2.9
237.10226	17.0
238.10979	2.8
239.11746	7.2
240.12665	1.2
241.13412	1.1
242.11252	1.7
243.93343	0.8
244.37120	0.6
249.10220	4.9
250.11021	4.5
251.11787	24.6
252.08751	1.2
252.09801	1.0
252.12593	15.0
253.09766	5.2
253.13466	4.0
254.10368	0.9
255.11284	3.6
262.11011	1.1
263.11829	3.2
264.09015	1.5
264.12451	0.9
265.09750	10.2
265.12943	1.3
266.10266	1.2
267.11295	12.8
268.11978	2.4
269.12839	1.5
271.06036	1.4
277.09756	1.0
279.11285	17.9
280.12085	6.7
281.09424	1.4
281.12878	2.9
282.09979	3.5
282.13068	0.8
283.10803	1.0
283.14297	0.8
285.12259	5.1
287.14600	0.8
293.12823	1.3
294.10037	3.8
294.13602	2.6
295.10724	3.2
295.14447	8.4
296.11649	2.0
297.08862	1.7
297.12308	17.8
298.12622	0.8
299.14120	0.8
301.15436	4.0
307.10788	1.9
309.08844	1.6
309.12326	4.2
311.10507	1.2
311.13901	5.1
312.11197	3.0
313.11777	13.6
313.15472	1.1
314.12527	0.8
314.16278	1.1
316.14169	0.7
324.11050	4.7
325.11838	23.7
326.12619	1.3
326.16586	1.5
327.13412	11.8
327.17136	1.4
328.14249	1.8
329.11621	0.8
330.12338	1.6
330.15964	1.5
332.13919	0.9
339.13379	78.4
340.14023	4.1
341.15311	1.1
342.12619	0.8
343.13068	1.1
344.13925	1.7
356.17725	1.4
357.14725	1.0
358.15546	1.7
359.16449	1.2
370.15356	1.0
372.17236	1.9
383.25818	1.1
384.17130	2.1
386.14792	1.4
387.16174	0.9
389.18024	1.2
400.16611	2.8
402.18250	1.3
416.16010	2.1
418.17447	3.6
420.19254	2.7
428.16110	3.8
434.17084	6.7
446.17130	25.3
450.20319	3.6
460.18399	1.5
464.21906	2.0
466.23404	5.4
478.19696	14.3
492.21283	100.0
493.22049	80.8
494.22433	2.8
510.22382	24.5
581.23761	6.4
599.24963	32.4
600.25110	1.3
617.26105	3.5
631.29871	0.8
649.30109	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	649.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05503	1.5
67.05488	3.4
69.03420	2.3
69.07054	1.3
70.06595	4.0
70.64604	1.6
70.65001	1.9
71.99508	0.7
73.02940	0.9
79.05482	3.2
80.04996	0.9
81.03407	2.6
81.07042	2.8
82.06569	1.1
84.08144	2.6
85.02886	2.6
86.09705	1.6
91.05490	4.3
93.05802	0.9
93.07041	6.2
94.06574	4.1
95.04960	2.0
95.07330	4.0
95.08599	2.3
96.08125	8.1
97.02883	1.4
97.06530	1.7
99.04457	1.0
103.05469	0.9
105.07032	2.3
107.08583	1.9
108.08126	5.5
109.10164	2.1
110.09687	14.9
119.04924	1.3
119.08578	2.3
119.11322	1.0
120.04446	1.3
120.08098	11.4
121.06506	1.2
121.10152	1.8
122.06017	1.5
124.07608	1.9
127.03864	1.6
128.07036	1.3
131.04935	0.9
131.08527	1.7
133.10078	0.8
134.05995	1.4
135.04443	1.3
135.07999	0.8
136.06146	2.2
136.07591	4.3
137.05894	0.8
138.08142	1.5
138.09146	20.9
143.08571	1.3
145.10132	1.8
147.04402	1.7
148.07558	2.8
150.26787	0.7
154.08620	1.1
161.09608	0.9
164.07004	0.9
166.08644	17.6
167.07036	0.9
173.09547	1.2
175.03822	1.7
176.10762	1.5
182.26353	0.9
191.07085	0.8
197.10837	0.9
199.12408	0.9
207.06537	3.4
207.48692	0.8
210.11507	1.2
211.12274	2.0
213.10138	1.6
221.10867	1.0
223.08798	1.4
223.12289	2.8
224.09457	1.3
225.10176	5.2
226.10966	2.8
227.11803	1.7
235.08641	3.5
236.09430	4.0
237.10191	14.9
238.10995	3.2
239.11801	10.6
240.12538	2.0
241.13380	1.7
249.10205	5.1
250.10976	5.1
251.11798	22.1
252.08775	0.9
252.12613	11.1
253.09708	4.3
253.13327	2.8
255.11266	2.5
263.11652	1.5
264.09045	1.4
265.09705	10.5
265.12564	1.3
266.10507	2.6
267.11380	10.4
267.14240	1.1
267.15390	0.8
268.11990	1.6
269.12817	2.4
271.05951	1.7
271.10483	1.4
277.09512	1.2
278.10568	1.9
279.11273	16.2
280.11945	5.1
281.12827	3.1
282.10065	1.8
282.13666	1.8
283.10809	2.5
284.11633	1.4
285.12292	4.6
287.14197	1.1
293.12836	1.9
294.09937	2.5
294.13513	1.5
295.10757	2.7
295.14407	5.8
296.11700	2.4
297.09058	1.7
297.12299	12.8
298.12601	1.0
299.13928	1.1
301.15378	4.0
307.10751	1.3
309.08722	1.5
309.12250	2.1
311.10547	0.9
311.13690	4.5
312.11026	4.3
312.14294	1.0
313.11792	10.5
315.13458	1.7
316.14502	1.3
324.11011	3.0
325.11826	18.6
327.13397	29.4
328.14081	1.8
330.12140	1.9
330.15930	1.1
339.13394	67.3
340.13959	4.9
341.15070	1.1
342.09488	1.6
356.17593	1.1
372.17078	1.5
384.16867	1.6
390.18393	1.2
400.16690	2.1
402.17947	1.0
416.15891	2.5
418.17554	2.0
420.19104	2.1
428.15900	3.1
434.17044	4.9
446.17136	21.1
447.17169	1.4
450.20157	3.2
454.22806	1.1
460.18762	1.7
466.23209	3.5
475.70135	0.9
478.19852	8.8
492.21298	100.0
493.22046	55.0
494.22458	2.7
510.15228	1.7
510.22330	21.0
581.24078	4.2
599.25067	24.6
617.25409	3.6
649.28485	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
64.02200	0.8
65.03942	1.0
67.05486	3.8
69.07066	4.8
71.53517	1.0
81.07051	1.0
85.02885	0.9
85.06526	2.9
91.05470	5.1
95.08614	1.1
95.42002	0.8
103.39867	0.9
111.86192	0.9
119.04901	2.3
131.04912	1.6
145.02791	1.1
147.04382	10.3
159.04457	4.2
160.01572	1.2
163.03877	2.0
173.05949	1.2
175.03902	100.0
176.04259	3.4
187.03903	5.2
187.07494	1.4
188.01062	1.9
201.05389	3.7
203.03371	7.4
205.23315	1.0
206.08153	1.4
215.03369	2.4
216.04324	1.5
217.08681	1.0
218.02136	9.8
229.05057	1.3
229.08600	24.9
231.02870	55.1
233.04442	41.2
245.04411	1.2
247.09651	70.9
248.10065	2.9
259.09592	1.5
265.10730	1.0
272.22540	1.1
299.09079	6.4
317.10202	10.6
674.17493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.5
57.03392	0.5
57.07058	1.3
65.03924	2.0
67.05507	8.4
69.07056	1.5
69.31088	3.7
69.31493	1.1
72.68182	0.5
79.05484	0.9
81.07042	1.2
83.04961	0.7
83.08657	0.6
85.06541	8.6
91.05467	4.8
93.07043	0.8
95.08561	0.9
95.82940	0.5
103.05434	0.7
105.07041	1.1
107.08593	0.7
109.10151	1.6
115.05437	0.8
119.04922	2.3
121.06493	0.6
121.10124	1.0
131.04929	2.6
133.10091	0.8
142.07703	0.6
142.28625	0.6
145.02841	2.0
147.04410	6.2
155.08513	0.6
159.04405	5.1
160.01546	1.5
161.06035	0.8
162.03154	1.1
163.03894	1.6
171.04366	1.0
173.05989	1.0
175.03900	53.4
176.04231	1.0
177.05489	2.8
180.08890	0.5
187.03893	10.9
187.07451	0.7
188.01016	6.1
188.04636	0.8
189.05405	2.2
190.02547	1.3
198.06801	0.9
199.03889	3.5
201.05447	2.1
203.03392	18.5
213.05415	1.1
213.09009	0.6
215.03375	4.2
215.07051	0.6
216.04149	2.3
217.01315	1.8
217.04834	1.1
217.99963	1.3
218.02097	26.2
219.02513	0.6
223.07564	0.6
226.06224	4.4
228.07887	1.4
229.04962	2.5
229.08557	7.3
230.02054	2.2
231.02873	100.0
231.10193	2.0
232.03264	2.8
233.04436	77.5
234.04764	1.5
241.08571	10.2
243.10164	7.9
245.04440	2.2
247.09637	14.5
253.08565	1.1
255.10228	1.0
257.08112	2.2
259.09595	1.8
271.09558	1.6
273.07513	1.4
275.06360	0.6
295.13260	3.0
299.09109	9.8
313.14392	7.3
317.06592	1.1
317.10184	17.6
331.15439	4.4
347.09106	0.7
443.19620	0.7
444.19296	0.9
445.19769	0.8
457.16199	0.9
500.17746	0.9
559.23199	1.0
560.22638	0.6
568.64130	0.6
587.22168	3.8
647.24408	6.9
655.73566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05509	1.8
56.61961	0.5
57.07059	1.4
59.05000	0.7
59.46577	0.5
62.45436	0.5
65.03933	1.9
65.23775	0.5
67.05173	0.5
67.05505	2.9
67.87868	0.7
68.99804	0.6
69.07079	2.8
70.78668	1.7
79.05484	2.1
81.03397	0.8
81.07054	8.7
85.06548	1.4
91.05479	15.6
95.04945	0.7
95.08608	6.2
103.44111	0.5
105.07040	1.2
107.04957	22.3
109.10149	0.8
119.04940	22.0
119.05792	1.1
119.08570	0.7
121.02840	0.5
121.06530	0.6
121.10109	0.8
125.24986	0.6
131.04898	1.7
133.06589	0.8
135.04446	1.7
137.13264	5.8
147.04428	4.1
159.04416	1.5
159.07933	0.5
161.06165	0.5
163.03905	100.0
164.04279	1.4
173.05948	1.3
175.03900	28.6
176.04393	0.9
177.05467	2.1
181.04942	0.9
185.06012	0.6
187.03893	7.4
187.07582	0.6
189.05403	4.6
199.03888	2.4
201.05486	2.6
203.03429	1.6
203.06996	2.7
213.05489	2.0
215.07004	1.5
217.08545	1.0
226.06270	1.2
227.07103	0.9
229.08559	7.3
231.10161	3.1
233.04510	0.8
235.79369	0.6
241.08591	7.0
243.10138	5.1
245.08110	1.6
247.09644	11.2
248.10104	0.9
249.32593	0.6
255.10220	1.0
259.09650	3.1
271.66037	0.6
295.13293	2.4
299.16608	2.6
313.14322	8.2
331.15436	1.7
480.82748	0.6
493.18884	3.5
629.30194	1.1
636.72241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26669	0.5
55.05508	0.9
57.07066	1.4
59.04998	1.7
65.03940	0.6
67.05512	4.3
69.07069	1.4
70.90676	1.1
71.77201	0.5
79.05494	0.7
81.07046	0.9
85.06552	3.5
89.03898	1.0
91.05470	3.4
93.07040	1.0
105.07019	1.0
107.08531	0.7
115.05447	0.6
118.47901	0.5
119.04936	2.1
121.10150	0.9
128.06230	0.7
129.07034	0.7
131.04935	2.8
145.02847	1.0
147.04399	4.5
158.06055	0.6
159.04420	3.8
160.01570	1.8
162.03110	1.6
163.03856	0.7
173.02370	0.9
175.03909	33.8
176.04312	0.6
177.05455	2.7
185.06100	0.8
187.03903	7.3
188.01047	6.0
188.04710	0.6
189.05458	2.2
190.02586	1.0
199.03920	2.6
201.05467	2.5
202.02640	1.0
203.03409	16.2
213.05450	1.2
215.03384	7.1
215.07060	0.6
216.04192	1.3
217.01303	2.1
218.02116	24.2
227.07031	0.9
229.05022	2.3
229.08524	2.8
230.02118	5.4
231.02887	100.0
231.10191	1.7
232.03375	2.3
233.04453	58.3
241.08647	3.3
242.05807	0.8
243.10069	3.9
245.04439	3.2
245.08067	1.8
247.09622	2.4
253.08598	0.8
255.01241	0.5
257.08096	2.7
271.09662	0.7
273.07541	1.3
291.92401	0.6
295.13269	0.8
299.09143	7.8
313.14261	3.7
317.10181	9.0
331.15411	1.0
335.11472	1.0
367.23517	0.6
385.35150	0.5
647.24921	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	647.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
57.07061	0.5
59.04987	1.4
67.05507	3.7
69.07059	1.3
78.19720	0.5
85.06557	3.4
89.03902	1.0
91.05472	3.7
95.08641	0.6
98.21465	1.1
98.86672	0.5
105.06975	0.6
115.05418	0.6
119.04946	2.2
129.07024	0.5
131.04900	2.7
133.02829	0.5
141.06909	0.6
145.02798	1.5
145.06474	0.7
145.29115	0.5
147.04367	3.3
151.07524	0.6
159.04422	2.9
160.01563	1.8
161.05969	0.7
162.03134	1.4
163.03947	0.8
173.02330	0.9
175.03900	34.8
176.04446	0.6
177.05452	2.1
185.05957	0.9
187.03880	6.7
188.01012	6.3
189.01894	0.5
189.05455	2.0
190.02664	1.3
199.03889	1.6
201.05444	2.0
202.02596	1.7
203.03371	15.7
212.04626	1.1
213.05435	1.8
215.03375	6.4
215.07063	1.1
216.04198	1.2
217.01344	1.8
217.04921	1.0
217.08478	0.6
218.02092	23.7
227.07027	1.3
229.05051	3.2
229.08589	1.9
230.02075	6.0
231.02878	100.0
231.10185	2.2
232.03438	3.0
233.04440	61.3
234.04811	1.2
239.06897	0.9
241.08591	4.0
242.05740	0.7
243.10197	3.0
245.04453	3.2
245.08112	2.6
247.09578	2.6
253.08659	0.6
255.10312	0.6
257.08188	2.9
259.09634	1.0
271.09842	0.8
273.07602	2.5
295.13278	0.7
299.09085	7.7
313.14334	4.3
315.28937	0.5
317.10175	9.0
331.15564	0.8
335.11127	1.1
647.24780	13.8
648.24628	1.0
657.54510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.3
56.32627	0.4
57.07059	1.0
59.04979	1.5
64.64473	0.5
65.03922	1.0
67.05508	3.1
69.56091	2.0
69.56506	1.2
69.78300	0.5
76.75050	0.5
81.07002	0.7
85.06552	3.5
89.03896	0.7
91.05482	4.0
93.07082	0.5
103.05419	0.7
109.02885	0.5
119.04931	2.4
123.78291	0.5
128.06155	0.6
129.06955	0.5
131.04942	2.8
133.06487	0.5
134.03592	0.7
145.02815	2.0
145.06557	0.7
147.04396	3.7
159.04414	4.3
160.01530	1.5
161.06007	0.8
162.03128	1.5
163.03831	0.7
171.04395	1.2
173.02342	1.3
173.05986	1.0
174.03108	1.0
175.03906	37.5
176.04144	0.8
177.05487	1.6
185.05901	0.6
187.03896	7.2
187.07518	0.5
188.01067	6.7
189.01842	1.0
189.05423	1.8
190.02612	0.8
199.03850	2.6
199.07471	0.7
201.05441	2.8
202.02612	1.2
203.03398	17.1
206.82281	0.5
211.07483	0.6
212.04689	0.6
213.05472	2.4
215.03392	7.8
215.06842	1.0
216.00488	0.5
216.04106	1.3
217.01302	2.2
217.04959	1.0
217.08492	0.7
218.02107	27.6
227.06975	1.0
229.04979	2.9
229.08574	2.6
230.02103	5.4
231.02881	100.0
231.10176	2.4
232.03407	2.1
233.04442	67.8
234.04813	0.8
241.08575	3.4
243.10165	4.4
245.04430	3.1
245.08054	3.2
247.09659	2.2
253.08597	0.7
257.08163	3.2
259.09622	1.1
271.09653	1.1
273.07657	1.7
275.09094	0.7
287.09192	0.8
295.13306	1.7
299.09128	7.8
313.14218	4.2
317.10147	10.4
331.15317	1.3
335.11081	0.6
427.83679	0.5
647.24835	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	646.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.2
62.24366	1.7
65.03912	1.8
67.05491	6.5
69.07056	10.2
70.08450	9.1
79.05487	4.8
81.07056	5.2
83.08615	2.8
84.54215	1.9
85.70203	1.9
91.05458	7.3
92.05006	7.3
93.07035	2.8
95.04953	3.5
95.08575	5.0
97.10157	2.0
98.21513	2.8
105.03393	12.7
105.07024	3.8
106.06501	2.1
107.04965	2.2
109.10121	4.7
116.71700	1.8
118.06531	2.4
119.08606	2.5
120.04462	44.2
121.10109	3.7
130.06502	14.8
132.04433	14.2
143.08516	3.1
144.08093	7.3
145.06392	2.1
146.05978	17.4
146.07234	5.2
152.04761	1.9
155.08527	2.5
156.08070	2.6
158.06017	38.5
158.09642	4.4
159.11562	2.2
160.07567	4.2
167.07304	6.1
168.08041	3.6
170.05904	4.7
171.08041	5.4
172.07582	6.3
172.11218	4.8
174.09027	2.9
175.03860	5.2
178.08664	3.0
180.08006	4.4
181.08829	5.8
182.05965	3.7
182.09631	34.7
183.06772	11.3
184.07567	12.3
184.11252	3.8
185.08327	3.6
185.09741	2.8
186.05530	2.0
186.09102	9.4
187.09894	4.2
192.08110	2.7
194.09639	4.2
195.10362	2.7
196.07578	17.9
196.11221	7.0
197.08299	11.3
197.09834	2.1
198.09146	25.7
200.10701	80.2
201.10991	3.8
204.10143	6.5
208.11224	6.9
210.09134	11.3
211.09930	15.1
212.10684	7.6
212.14322	5.4
213.09103	4.0
221.12083	3.1
222.12758	4.2
224.10664	6.5
233.08331	8.6
234.09004	3.9
234.12738	4.4
236.14395	10.3
238.12329	8.3
238.15942	4.4
239.12917	3.6
240.06528	2.2
244.05995	2.0
245.12004	2.3
246.12773	3.1
247.09709	4.7
248.07082	2.1
248.14421	3.3
250.16063	2.9
254.15390	100.0
255.15720	3.8
256.16803	2.2
258.11307	6.1
261.10306	6.6
264.10086	6.2
264.17590	4.4
266.15408	9.4
267.05371	6.0
268.06006	17.7
269.06320	8.7
271.08640	4.4
280.06073	4.6
280.09436	3.8
281.06412	3.0
284.10687	2.3
288.10187	4.9
288.17386	7.0
289.09702	76.4
290.10052	7.5
294.07303	2.6
296.10510	2.8
297.10770	4.2
299.11783	4.0
302.18997	8.4
304.09485	4.5
306.11249	2.7
306.18362	2.8
308.08926	10.3
309.09515	8.6
309.12402	5.6
312.12756	2.3
313.14188	2.4
314.11600	7.7
320.19968	5.9
321.12466	6.4
322.10614	17.2
323.11301	24.4
324.11716	6.2
325.13235	7.1
326.11676	4.2
327.11230	3.3
328.13275	2.8
347.13879	7.7
355.14557	2.4
357.16061	3.8
359.13620	2.3
363.13525	12.3
373.15552	9.5
375.16843	8.6
381.19644	31.9
382.19934	3.8
385.15457	5.9
399.20703	6.8
419.21109	2.7
437.22318	5.4
465.25159	2.6
467.26743	4.4
477.25348	3.9
479.27252	2.7
495.26633	11.8
496.26953	6.9
497.27936	16.0
500.19632	4.6
513.27289	3.6
518.20514	3.1
592.29462	2.5
610.30676	25.3
628.31592	13.4
646.22479	21.1
646.32013	4.3
647.21533	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	646.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.01865	0.4
55.05511	0.4
56.05020	0.4
57.03431	0.2
60.73999	0.2
61.70803	0.2
67.05499	0.9
68.05031	0.3
69.03432	0.9
69.07071	0.8
69.28658	2.6
70.06590	69.1
71.04985	0.8
71.06927	0.7
72.04549	0.3
72.08149	0.7
73.07663	0.3
74.06083	0.4
79.05470	0.7
80.05022	0.3
81.03435	1.5
81.07043	1.2
82.06610	0.5
83.04972	0.7
83.06137	0.3
84.04501	0.4
84.08138	0.6
85.02901	0.8
85.06542	0.3
86.09705	1.0
91.05474	1.3
93.07072	0.7
94.06544	0.3
95.04967	0.8
95.08603	1.8
97.02894	0.9
97.06535	0.5
98.05994	0.3
98.21458	0.6
105.07051	0.9
107.04949	0.3
107.08627	0.5
108.04477	1.6
109.02892	1.0
109.10178	0.4
110.07167	4.1
115.08680	0.6
116.07088	100.0
117.07405	0.4
119.04948	0.5
119.08576	1.0
120.08172	0.3
121.10125	0.5
122.02722	0.4
122.06036	0.3
126.05508	0.5
127.03906	2.1
128.07085	1.5
131.07010	0.3
133.10155	0.8
135.11710	0.3
144.10228	0.3
145.10124	0.3
147.04401	1.1
149.05984	0.3
150.05490	0.7
151.07500	0.3
156.07700	0.4
159.08118	0.3
161.13249	1.1
162.05492	1.8
166.03291	0.5
175.03912	0.3
178.04878	0.6
179.14264	1.0
181.05016	0.5
189.09009	0.4
193.04968	0.6
197.15408	0.3
201.09038	0.6
204.45633	0.3
206.04517	0.3
207.04774	0.3
207.06570	1.1
212.03699	0.7
213.09067	1.9
227.10661	0.4
227.14250	0.6
246.18962	0.3
255.13802	5.1
256.14124	0.3
269.15237	0.4
273.14832	0.6
297.14850	0.7
305.17307	0.3
315.15900	11.5
316.16281	0.6
333.16736	0.8
341.19693	0.4
378.19315	0.8
426.19110	1.2
444.20279	1.0
462.21466	1.5
471.17914	0.3
480.22559	2.6
492.23447	0.3
510.24213	0.9
630.66888	0.3
646.31299	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	645.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10710	1.0
55.05511	1.9
65.03941	2.3
67.05505	4.7
69.07065	7.9
69.07362	1.0
69.65491	7.7
76.24826	1.0
79.05482	3.1
81.03403	1.3
81.07066	4.0
86.37386	1.4
91.05492	3.6
92.05008	5.3
93.07041	1.2
95.04977	1.5
98.20703	1.1
104.58566	1.3
105.03391	16.2
105.07035	1.7
106.06570	1.4
107.04955	3.6
107.08569	1.4
109.10179	6.0
110.06083	1.3
112.02189	1.1
115.05464	1.8
117.05714	1.6
117.07054	2.8
118.06561	2.3
119.08585	3.3
120.04467	33.2
128.06239	3.3
129.07025	4.7
130.06522	11.1
131.08536	1.8
132.04457	14.9
141.07050	1.9
143.08551	1.8
144.08122	4.5
145.06447	1.8
146.06030	17.0
146.07161	2.3
147.11740	1.4
153.07025	1.8
154.06509	2.2
157.08894	2.5
158.06038	41.3
158.07269	3.5
158.09651	3.9
159.06827	1.9
159.08038	10.2
160.07729	1.7
165.07022	1.9
167.07310	7.1
167.08563	1.4
168.08115	4.7
169.06502	2.0
170.05995	2.2
170.07336	1.6
170.09663	3.5
171.08096	2.0
172.07607	4.1
172.11273	3.8
173.09653	4.0
174.09065	1.9
177.09145	3.8
179.08583	2.4
180.07999	6.6
181.06410	1.8
181.08862	4.6
182.06055	2.1
182.09669	36.5
183.06764	7.4
183.10042	1.4
184.07587	8.6
184.11252	3.3
185.08243	1.9
185.09663	3.2
186.05482	1.6
186.09123	8.1
190.07861	1.3
192.08058	2.2
193.08841	2.1
194.09647	5.8
195.10402	1.8
196.07513	12.2
196.11232	4.1
197.08261	7.2
198.09152	24.3
200.06970	5.8
200.10709	77.9
203.10640	6.9
206.09644	1.8
208.07448	2.9
208.11201	7.2
209.11832	1.2
210.09181	11.1
211.09744	8.5
212.10693	5.8
212.14355	3.1
213.08987	1.8
218.09789	1.9
220.11267	3.1
220.96904	1.2
221.11974	1.9
222.09166	2.2
222.12842	2.7
224.10725	5.7
226.08618	1.3
228.10201	2.0
229.12132	1.6
231.10367	1.7
232.11230	3.1
234.09094	2.4
234.12794	4.5
236.14316	10.9
238.12244	6.0
238.15912	9.4
239.13057	3.1
244.11125	1.9
246.12621	2.3
247.08795	1.6
248.14334	2.3
250.15866	1.9
251.13013	1.4
251.16812	2.1
254.15414	100.0
256.16852	1.5
257.11734	8.4
258.09125	8.1
259.09937	2.7
259.12976	1.3
261.10275	8.1
264.14026	1.5
264.17499	6.2
266.15430	7.8
268.11322	1.6
270.09045	2.1
271.08713	5.2
273.10416	1.6
275.09747	2.3
288.17523	4.6
289.09717	77.0
290.12128	6.1
295.12570	1.4
297.10480	1.4
299.11807	3.9
302.11673	2.3
302.19089	8.1
306.18549	2.3
307.12421	2.8
308.13159	1.7
310.11267	1.6
311.11945	2.4
312.12930	1.4
313.13434	3.3
314.11676	2.3
316.17313	1.4
318.11057	1.4
318.18466	1.8
320.12924	6.7
320.20142	6.6
322.12424	2.7
323.12054	1.3
325.13367	8.4
326.11667	2.1
327.11395	2.1
328.13379	2.6
335.12146	2.2
338.15341	1.5
340.13217	2.2
342.15009	1.5
343.13162	1.5
346.14536	6.5
350.11633	2.4
353.12897	2.7
354.14853	6.6
356.16711	2.4
358.14258	2.3
362.13882	12.6
366.14706	7.0
367.15689	1.3
372.16205	2.6
374.17566	3.4
381.19617	29.7
384.15930	2.7
399.20703	4.4
406.17850	1.3
415.17593	1.9
419.21332	1.8
437.22348	7.1
464.25925	3.8
466.27203	5.7
467.17432	1.8
476.25613	5.9
477.26718	2.8
478.27304	3.3
481.19217	3.0
494.26871	3.9
495.27646	5.2
496.28519	17.3
499.20087	4.9
585.19995	2.1
591.29816	7.6
609.31165	16.7
610.30841	1.9
627.32214	10.7
645.22595	2.4
645.32635	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.2
57.07061	4.5
59.05017	1.5
67.05499	6.3
69.07063	7.9
71.05004	1.6
71.08605	1.2
71.33888	1.8
79.05473	3.0
81.07037	3.4
83.08636	1.5
85.06518	3.3
89.05998	1.3
91.05476	9.0
93.07024	3.9
95.04919	1.2
95.08605	3.1
103.05437	1.6
105.07014	4.0
107.08592	2.2
109.06546	1.0
109.10142	4.0
115.05428	2.0
117.07029	1.3
119.04943	3.1
119.08569	1.7
121.06454	1.6
121.10112	2.9
123.11752	1.5
128.06230	1.4
129.06993	1.6
131.04927	7.5
131.08568	2.0
133.06459	1.9
133.10033	1.7
135.11713	1.9
145.06419	1.7
147.04410	15.4
155.08517	1.3
157.10086	1.1
159.04427	8.0
161.05992	3.0
161.31964	1.1
163.03905	4.6
171.04405	1.6
173.06023	1.9
175.03906	100.0
175.11209	1.6
176.04434	1.7
177.05466	20.3
185.09570	1.3
187.03894	29.6
187.07509	3.5
189.05467	18.4
199.03888	6.8
199.07623	1.4
201.05428	6.0
203.03386	5.9
203.07011	3.2
203.10425	1.3
213.05452	4.4
213.09106	2.3
215.07036	10.3
217.04869	1.7
217.08527	2.1
226.06273	5.0
227.07004	2.6
228.07768	1.8
229.08588	12.4
231.10141	30.2
241.08598	22.6
243.10156	11.4
245.08018	2.0
247.09633	13.3
253.08543	1.3
255.10159	5.2
257.08081	1.7
259.09650	42.8
269.11661	2.2
295.13284	4.6
297.14890	1.4
313.14276	9.4
315.12506	2.0
315.15887	17.8
331.15585	1.9
332.10376	1.1
333.16803	1.8
367.19034	4.9
381.20505	2.1
446.81299	1.1
543.23730	1.7
585.22119	6.4
645.23798	2.3
672.17316	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.8
55.01865	0.7
55.05515	9.8
57.07075	4.8
59.05003	5.3
62.86485	0.6
65.03944	1.7
67.05513	3.0
69.07061	5.4
79.05483	1.5
81.07034	1.4
83.01343	2.2
83.04974	1.1
85.06553	6.7
87.04472	1.3
91.05483	10.0
93.07044	1.2
98.20673	1.2
103.05455	3.1
105.07031	3.3
115.05468	2.1
117.06998	1.8
119.04969	4.4
121.06499	2.8
121.10123	1.0
128.06210	1.4
129.06970	1.3
131.04941	9.5
133.06502	3.2
143.04924	1.0
143.08566	0.8
145.06471	2.3
147.04410	19.0
148.05209	1.3
157.06497	1.1
159.04430	9.6
161.06050	4.8
161.09669	0.7
163.03865	3.2
164.13907	0.7
171.04416	1.6
173.06007	3.3
174.06744	0.7
175.03912	100.0
175.11162	0.9
176.04379	2.2
177.05479	31.0
178.05899	1.1
185.05966	1.3
185.09637	1.3
187.03915	29.3
187.07529	2.8
189.05478	23.6
189.07227	0.5
189.09085	0.8
197.06032	0.9
199.03891	6.2
199.07581	1.2
201.05481	8.8
201.09177	1.5
203.03465	5.0
203.07048	3.3
203.10654	2.1
211.07500	1.2
212.04616	1.2
213.05487	4.1
213.09138	2.5
215.07027	5.3
217.04944	2.0
217.08630	2.5
222.54053	0.6
226.06247	2.5
227.07021	2.6
229.08597	17.2
231.10167	42.9
239.07050	1.6
241.08591	11.7
243.10152	8.0
245.08043	4.7
247.09688	15.5
253.08609	1.2
255.10201	1.0
259.09680	25.8
260.10098	0.7
295.13330	2.7
308.35538	0.7
313.10999	0.8
313.14377	9.5
315.15927	19.0
331.15439	1.9
385.22702	0.7
422.32520	0.7
643.35681	0.8
645.20313	0.9
645.30621	14.4
646.30286	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.05494	2.3
57.07063	1.8
59.04988	1.1
65.03930	1.1
67.05503	5.1
69.06732	0.8
69.07070	10.2
70.77849	1.5
71.99557	0.6
79.05503	0.7
81.07046	1.0
83.01324	0.7
83.60274	0.7
85.06549	3.8
87.59494	0.7
89.05995	0.7
91.05478	5.0
105.07040	1.3
115.05439	0.9
119.04970	3.4
127.08389	0.6
129.07005	0.8
131.04935	4.5
133.06479	0.6
143.04887	1.0
145.06483	1.1
147.04407	14.3
159.04405	7.8
160.79834	0.6
161.06062	0.7
163.03888	3.3
171.04445	0.9
173.05975	2.2
175.03908	100.0
176.04277	2.2
177.05458	6.4
185.06017	1.1
187.03911	20.9
187.07526	3.1
189.05453	6.4
199.03905	3.7
201.05452	5.9
201.09111	1.0
203.03371	2.1
203.07005	2.0
211.07446	0.6
213.05406	3.2
213.08974	0.8
214.06277	1.0
215.06982	1.4
217.04945	0.8
217.08539	1.8
223.07610	1.1
225.09099	0.8
226.06259	2.6
228.07788	0.9
229.08607	32.9
230.08952	1.0
231.10143	6.2
239.06894	1.0
241.08641	11.7
242.08797	0.7
243.10184	7.9
245.08139	1.5
247.09668	61.3
248.09970	2.3
255.10226	1.2
259.09677	8.5
273.11090	0.7
295.13220	3.2
297.14859	1.3
311.14716	0.6
313.14337	11.0
315.15918	7.1
316.16046	0.7
331.15393	5.7
533.56293	0.7
645.30566	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	645.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
55.05500	1.7
57.07066	1.2
59.04985	1.5
65.03950	1.4
67.05502	3.1
69.07068	11.0
69.39637	1.0
69.40046	4.2
71.08643	0.8
79.05484	1.2
79.90719	0.5
81.07074	2.8
83.04955	0.9
85.06520	1.8
87.04478	0.9
89.06007	1.4
91.05483	7.9
93.07030	1.2
95.08604	2.2
98.20720	1.0
105.07034	3.0
107.08583	1.0
109.10142	1.4
117.07061	0.9
119.04944	2.2
119.08587	1.2
121.06496	1.3
121.10114	1.1
128.06241	0.7
131.04951	4.5
133.06447	0.9
145.06438	0.9
147.04413	12.2
157.10071	0.8
159.04427	6.8
163.03865	3.5
171.04398	1.1
171.08110	0.6
173.05956	2.4
173.09602	0.7
175.03911	100.0
176.04288	2.4
177.05492	3.3
183.07957	0.9
185.05969	0.7
187.03903	28.2
187.07550	2.6
189.05467	3.2
195.08083	1.4
199.03926	3.3
199.07603	1.1
201.05428	4.7
201.09076	1.0
203.03439	0.8
203.07036	1.4
211.07475	1.0
213.05511	1.9
213.09085	1.2
215.06990	1.8
216.06595	0.8
217.08614	0.9
223.07541	1.8
226.06250	1.7
227.07008	1.0
229.08601	29.0
231.10176	3.0
241.08603	15.6
243.10143	9.2
245.08170	2.8
247.09663	64.0
248.09999	1.2
253.08745	1.2
255.10239	1.5
259.09659	13.5
265.10721	0.8
277.21762	1.0
295.13290	2.7
297.14853	2.0
311.31982	0.6
313.14307	7.2
315.15881	20.3
331.15402	2.7
349.37128	0.6
401.14716	0.7
577.24005	1.9
645.30566	9.7
646.31250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93877	0.4
53.03929	0.7
55.01851	0.7
55.05511	8.6
57.07069	4.3
59.05002	4.6
65.03927	1.5
67.05515	2.9
68.99768	1.0
69.07068	4.9
70.72371	1.2
71.04971	0.7
79.05472	1.9
81.07057	2.2
83.01327	2.7
83.04967	0.9
85.06547	5.8
89.05987	0.4
90.76697	0.4
91.05479	12.8
93.07027	0.8
95.04945	0.6
95.08606	1.2
103.05466	2.8
103.69982	0.4
105.07031	3.2
107.04961	0.9
107.08573	0.7
109.10154	0.8
111.11722	0.5
115.05434	2.2
117.06995	1.9
119.04922	4.4
119.08554	1.1
121.06483	2.6
121.10123	0.8
123.11651	0.5
128.06206	1.8
129.06982	1.3
131.04921	11.8
131.08545	0.6
133.06490	4.1
133.10101	0.5
135.11639	0.6
141.06967	0.9
142.07768	0.8
143.04926	1.1
143.08514	0.8
145.06476	2.0
147.04405	21.3
147.11652	0.5
148.05147	0.8
149.05972	0.8
152.05997	0.5
153.06940	0.5
155.08545	0.9
157.10103	1.1
159.04413	11.2
159.08018	0.6
161.05984	5.9
161.09654	0.6
163.03923	4.4
167.08536	0.5
169.06416	0.4
171.04454	1.9
173.06036	4.5
174.06783	0.5
175.03905	100.0
175.11186	1.2
176.04407	1.6
177.05469	32.4
178.05865	0.5
183.08110	0.6
185.05960	1.0
185.09628	1.2
187.03905	31.0
187.07466	3.9
187.11220	0.6
188.08289	1.0
189.01837	0.8
189.05464	26.6
191.03421	0.9
195.08029	0.5
198.06679	0.9
199.03912	6.1
199.07564	1.1
201.05461	10.9
201.09097	1.6
203.03375	6.0
203.05038	0.6
203.05405	0.4
203.07018	3.3
203.10602	2.4
211.07559	1.2
212.04662	0.7
213.05486	5.0
213.08989	2.7
215.07024	5.8
217.05013	1.5
217.08592	3.3
226.06215	1.3
227.07004	1.9
229.08601	21.7
230.08878	0.9
231.10159	44.9
232.10490	1.0
239.07040	1.1
241.08598	11.0
243.10178	9.3
245.08083	3.9
247.09660	24.1
253.08531	1.3
255.10239	1.1
259.09647	28.4
260.10043	0.9
265.10696	0.5
295.13416	2.0
297.14890	0.5
308.34134	0.5
313.14343	7.0
315.15900	8.1
331.15417	2.2
553.46082	0.5
645.30548	17.4
646.30908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89071	0.7
55.05505	0.9
57.96574	0.8
67.05489	1.9
71.05003	1.2
74.64949	0.8
79.05499	1.2
81.07041	1.2
83.08628	0.8
93.07085	1.2
95.08601	1.1
98.21521	1.9
107.08620	1.1
114.16029	0.7
119.08633	1.0
131.08696	0.8
135.97806	0.7
141.73828	0.8
170.70268	0.9
199.14853	0.8
234.07945	0.8
241.08586	0.8
439.41724	0.8
625.44379	0.9
643.25238	100.0
644.25635	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	643.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.00322	0.3
53.03946	0.6
55.01865	0.4
55.05511	7.9
57.07077	5.0
59.05005	6.1
65.03943	1.6
67.05505	6.0
68.99769	0.3
69.03417	0.5
69.06734	0.4
69.07074	5.5
70.06588	0.4
71.04982	1.0
73.06542	1.1
76.79395	0.3
77.03931	0.6
79.05500	2.4
81.03405	0.5
81.07063	3.2
83.01339	1.3
83.04982	0.5
83.08620	2.3
85.06540	5.3
91.05479	8.8
93.07047	1.8
95.04949	0.8
95.08609	2.6
95.13481	0.3
97.06538	0.5
97.10155	0.7
98.20660	0.4
103.05447	1.6
105.06477	0.3
105.07040	2.5
107.04950	0.8
107.08603	1.9
109.10146	3.0
111.11715	0.9
115.05476	2.7
117.07018	2.0
119.04939	4.2
119.08591	0.9
121.02880	0.3
121.06473	0.5
121.10143	4.3
123.08008	0.4
123.11673	2.9
125.09637	0.3
128.06239	3.0
129.07016	3.2
131.04926	10.4
131.08545	0.9
133.02838	0.3
133.06490	2.3
133.10139	0.8
135.11697	1.2
141.06989	1.5
142.07773	1.3
143.04929	1.1
143.08586	1.4
143.49614	0.3
144.05737	0.5
145.06497	3.5
145.10080	0.6
147.04410	17.0
149.05917	0.3
152.06157	0.9
153.07019	0.8
154.07800	0.6
155.06029	0.6
155.08585	1.5
156.05717	0.4
157.06458	2.1
157.10100	1.0
158.07242	0.4
159.04411	16.4
159.08002	0.9
159.11653	0.4
160.04721	0.4
161.02376	0.7
161.05991	1.8
161.09569	0.5
163.03909	5.8
165.06998	0.7
167.08568	0.8
168.05713	0.4
169.06471	1.2
169.10106	0.3
170.07254	0.8
171.04414	5.0
171.08012	1.7
172.05110	0.4
172.27165	0.3
173.05980	6.4
175.03903	100.0
175.11079	0.7
176.04263	1.7
177.05470	9.3
179.08565	0.4
181.06444	0.6
182.07231	0.4
183.08060	1.2
184.05193	0.6
184.07570	4.7
185.05994	3.4
185.09589	2.2
187.03906	36.1
187.07469	4.7
188.04193	0.7
189.01862	1.2
189.05467	15.8
189.09081	0.7
195.08057	1.5
197.05986	1.3
197.09668	0.6
198.06740	1.8
198.09039	0.4
199.03903	19.2
199.07564	4.6
200.04558	1.0
201.05466	14.4
201.07422	0.4
201.09149	1.3
203.03447	3.1
203.07021	6.9
203.10669	0.6
209.09615	0.4
211.07571	1.8
212.04683	1.5
213.05467	19.2
213.08894	4.1
214.06168	1.6
215.07027	16.8
216.06602	0.5
217.05014	1.2
217.08595	22.8
218.08980	0.5
219.02931	0.9
219.10213	0.7
223.07611	1.7
225.05423	0.7
225.09081	1.1
226.06259	4.9
227.07031	15.2
227.10468	0.6
228.07782	2.2
229.08598	30.1
230.08881	0.5
231.06519	1.2
231.10170	11.2
231.12511	0.5
239.07057	2.6
240.07834	0.5
241.08591	39.0
242.08929	1.1
243.10170	45.7
244.10442	0.8
245.08090	18.4
246.08411	0.4
247.09674	8.9
251.07047	0.6
253.08553	3.4
254.09077	0.4
255.10175	4.7
255.12962	0.4
255.13849	0.3
257.08023	3.7
259.09656	18.0
260.09836	0.4
261.11237	0.4
265.08621	0.5
267.10172	1.3
269.11731	2.1
271.09781	0.7
271.13269	0.7
273.11334	0.9
273.14832	4.4
275.09146	0.4
279.10208	0.4
281.11859	0.8
283.10181	0.7
283.13272	12.2
285.14783	0.3
286.10434	0.3
287.12662	0.6
293.11673	0.5
295.13300	5.3
297.14850	11.8
299.12726	1.4
301.14359	14.1
304.13126	0.3
307.13232	0.5
309.14951	0.5
310.11832	0.4
311.12646	0.7
313.14328	25.6
315.15829	1.1
325.14233	1.6
329.13943	2.5
331.15405	3.8
343.15326	0.9
347.16193	0.3
349.17847	0.3
353.17349	0.9
365.17447	0.7
367.19058	1.2
379.19043	1.1
397.19830	0.5
444.14191	0.7
446.17117	0.6
458.17123	0.5
478.19647	0.5
490.19443	0.5
523.21216	0.6
539.19855	0.4
541.22253	2.7
559.23370	0.7
571.23187	0.3
597.28308	0.6
607.26489	0.7
620.15326	0.3
625.27771	1.8
643.29407	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	643.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.9
67.05492	3.3
69.07077	0.9
71.08630	0.8
79.05493	2.8
81.03426	0.8
81.07060	2.9
82.07446	0.8
83.04992	1.2
91.05485	3.0
93.07051	2.7
95.04984	0.7
95.08607	2.1
98.46870	0.8
105.07028	2.9
107.08604	2.3
109.10165	1.2
119.08604	1.6
129.06992	0.8
131.08522	0.7
133.10178	1.4
143.08496	0.9
145.10129	0.8
167.45792	0.8
175.03955	2.2
179.14323	0.9
183.11707	0.8
210.72945	0.8
216.43266	0.7
223.33577	0.7
241.08609	1.0
243.10223	1.0
247.09695	0.8
275.20062	1.1
277.21463	1.0
295.13367	0.9
335.25760	0.9
397.12970	0.8
410.13907	1.7
411.14572	3.4
412.15576	1.8
413.15955	1.0
424.15814	1.6
425.16196	7.4
426.16962	5.8
428.04712	0.8
438.12558	1.2
438.17587	1.3
439.13565	7.4
440.18484	2.1
441.19318	22.4
442.19379	1.5
452.14877	2.2
453.15225	8.1
454.16293	2.0
466.16534	0.8
467.17114	15.2
468.17834	7.7
469.18832	9.4
470.12100	0.8
481.14859	10.6
482.15668	2.0
482.21997	0.8
495.16772	1.5
496.17212	9.8
497.18027	2.0
509.18488	1.3
514.21515	1.2
523.19781	1.4
537.19452	0.9
542.21594	0.9
555.22321	18.4
556.22571	1.1
583.21906	100.0
584.21918	3.3
587.24854	1.1
611.21173	0.9
615.24640	8.4
617.65808	0.8
625.44879	1.2
643.23779	22.4
643.45276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64568	0.3
70.40672	1.1
70.41045	0.5
78.57085	0.3
175.04030	0.4
396.12067	1.4
397.12979	2.4
398.13879	1.2
399.14737	0.6
400.15363	0.3
409.13098	0.7
410.13675	3.5
411.14523	6.7
412.15280	4.5
413.16193	2.2
423.15143	1.9
424.11331	1.7
424.15460	2.3
425.16296	13.1
426.16910	9.4
427.17932	1.4
428.18350	1.2
437.11533	0.4
437.16617	0.8
438.12402	3.5
439.13605	16.9
440.19067	5.5
441.19308	36.5
442.19870	2.2
444.17148	0.3
451.14038	0.9
452.14346	4.7
453.15344	20.7
454.15784	4.4
455.21854	0.4
456.13766	0.4
457.14694	0.7
458.15610	0.4
463.14230	1.2
465.15460	1.1
466.16382	1.1
467.17151	27.0
468.17880	14.2
469.18857	11.0
470.19110	0.4
471.16776	0.9
472.17508	1.0
479.17447	0.4
480.17484	0.9
481.14798	14.8
482.15521	3.6
482.20718	0.3
485.18417	1.1
486.18909	0.5
487.19867	0.7
495.17068	2.6
496.17227	11.3
497.18057	2.4
498.19336	0.5
499.15424	0.6
499.19952	1.0
508.19675	0.6
509.18518	2.3
512.20459	1.0
513.20709	0.4
514.22821	2.5
522.17676	0.7
523.19666	1.0
524.20691	0.6
527.23688	2.6
528.23303	0.5
539.19128	0.5
540.19922	0.9
541.20825	0.3
542.21722	0.8
551.18994	0.4
555.22412	31.6
556.23315	1.6
568.20172	0.5
583.21899	100.0
584.22162	5.9
586.20569	0.5
587.24951	2.2
611.21350	1.6
614.23694	1.1
615.24530	14.0
616.24701	0.8
643.23944	61.0
644.23999	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65316	0.7
53.03931	2.0
55.01866	1.7
55.05518	6.6
55.23002	0.8
57.03419	2.1
59.04994	1.1
59.62179	0.8
61.02911	2.3
65.03944	1.1
67.05184	1.5
67.05505	18.9
69.03429	2.0
69.07070	5.6
70.06590	1.5
70.12364	0.8
71.04979	3.2
71.18328	1.8
71.18679	1.3
74.09701	1.0
78.39729	1.1
79.05074	1.1
79.05499	15.2
81.03427	1.8
81.07064	17.9
83.04966	2.5
83.08602	3.5
85.02894	2.5
85.06507	2.3
91.03960	0.9
91.05486	17.7
93.07047	14.1
95.04971	4.2
95.08611	10.3
97.02890	1.2
97.06504	1.7
97.10168	3.0
98.27174	0.8
105.07035	18.3
107.04945	2.3
107.08587	8.4
108.56950	0.9
109.06516	3.6
109.10162	5.6
117.07022	9.5
119.08578	13.5
121.06545	1.6
121.10156	4.5
123.08067	1.6
123.11764	1.3
125.09636	1.4
127.03864	0.9
128.06264	0.9
129.07013	6.5
131.08568	16.5
133.06480	1.4
133.10135	9.8
135.08035	1.7
135.11678	2.8
137.09531	0.8
139.67450	0.9
141.06967	2.1
143.08553	8.2
145.06441	1.4
145.10132	10.5
147.08069	1.8
147.11684	3.1
149.09605	2.2
149.13190	1.3
151.11237	1.5
155.07411	0.8
155.08519	4.1
157.10133	4.5
159.11673	3.0
161.13211	1.3
163.11234	1.3
167.08592	1.7
167.14244	0.8
169.10085	4.0
171.11703	4.4
173.09692	1.2
173.13206	1.3
174.09140	2.5
174.59236	1.0
175.03920	3.0
181.10115	2.0
183.11665	1.9
185.13269	2.9
187.03960	1.3
187.14774	1.9
193.04901	1.1
195.11687	2.1
197.13254	1.8
199.14822	1.8
200.10696	1.7
209.13249	2.3
211.14758	1.5
215.14183	1.3
225.09047	1.0
225.16458	1.0
233.15372	1.2
241.08643	2.0
247.09674	1.5
247.17007	1.3
275.20044	1.6
276.20605	1.0
292.19202	1.1
295.13181	1.5
313.14401	1.0
343.26425	2.3
353.24713	4.0
371.25760	4.7
386.81781	0.9
389.26779	6.9
415.11719	1.9
427.28348	0.9
445.29510	100.0
446.29669	5.2
463.30573	23.3
530.22675	3.8
642.21167	1.2
642.29620	3.4
642.44775	4.4
660.76343	1.0
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	Crooksiine
Peak:m/z	Relative Intensity
55.05505	0.7
67.05500	1.5
69.07078	0.6
69.97284	0.8
69.97674	0.9
79.05495	1.6
81.07052	1.3
82.75671	0.4
91.05477	1.6
93.07053	1.3
95.05009	0.6
95.08601	1.3
95.63445	0.4
97.06523	0.6
97.10168	0.6
102.91767	0.4
105.07034	1.3
107.08582	0.9
108.85062	0.4
109.10160	0.9
119.08617	0.9
125.09650	0.4
131.08577	0.7
133.10098	0.6
135.11635	0.5
145.10135	0.7
149.09676	0.5
151.11151	0.5
172.16179	0.4
193.04994	0.5
209.21101	0.5
239.11769	0.5
275.20117	1.4
349.23837	0.7
377.17691	1.1
378.18353	0.6
379.19452	1.0
380.19165	0.5
390.18378	0.5
391.19287	1.2
392.20169	0.9
393.20792	2.0
405.16574	2.1
405.21613	0.8
406.18002	1.4
407.17853	0.8
407.22668	5.8
408.23318	0.8
418.18008	1.1
419.18475	3.3
420.18851	2.1
421.20441	5.1
422.21085	0.9
423.21808	1.5
433.20349	5.2
434.21487	4.1
435.21964	9.3
435.27286	0.8
436.22577	1.5
447.21957	1.4
448.18863	0.6
449.19635	8.3
449.24783	0.6
450.20398	0.8
451.21497	0.6
462.20193	0.5
463.21167	3.6
464.21915	2.1
465.23511	0.7
467.24130	0.9
477.23059	1.2
479.20319	1.1
480.21606	0.8
481.22278	2.8
493.21744	2.6
494.23108	3.5
495.23618	4.0
507.24182	1.8
521.25781	11.1
522.26184	0.9
523.27277	1.1
526.25555	0.7
535.23950	0.9
539.22986	1.2
549.24750	1.1
551.26538	0.6
553.24371	0.8
563.26208	1.4
580.27863	0.6
581.27661	21.9
582.28131	1.5
594.28070	0.5
609.26178	0.6
623.42883	0.6
641.29706	100.0
642.29950	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	641.2961
Annotation	Crooksiine
Peak:m/z	Relative Intensity
51.46497	0.4
55.05518	0.9
57.03453	0.6
67.05500	1.9
69.07067	1.0
72.48524	0.4
77.14136	0.4
79.05499	1.7
81.03424	0.5
81.07065	1.9
91.05476	1.5
93.07047	0.8
94.88228	0.4
95.08618	1.3
97.06538	0.8
97.10146	0.5
105.07033	1.4
107.08624	0.9
109.06517	0.5
109.10148	0.9
117.07063	0.7
119.08601	0.7
120.08151	0.6
121.10201	0.4
131.08548	0.9
143.08624	0.7
145.10175	0.8
150.09117	0.7
157.43178	0.4
159.11703	0.7
237.10281	0.6
239.11966	0.5
275.20163	1.4
316.14688	0.6
323.14325	0.5
355.16754	0.5
356.17969	0.6
370.15491	0.6
391.19202	1.2
403.15601	0.6
404.15936	0.8
405.16412	0.5
405.20810	1.1
406.21582	1.1
417.17401	0.7
418.17865	1.2
419.18790	1.8
432.19794	0.7
433.20432	3.4
434.20883	1.5
435.22052	1.2
437.19330	0.6
447.17590	0.8
447.22528	1.0
448.23059	0.9
449.24146	0.5
460.22995	0.7
461.19473	8.8
462.20496	3.9
463.21451	0.6
465.19376	1.8
467.24402	1.9
475.20972	1.0
476.21725	2.6
477.23154	2.7
479.20651	1.0
480.21878	0.8
489.23004	1.0
491.20557	0.6
493.22357	1.3
494.22946	3.5
495.24039	1.4
505.22467	0.5
507.24438	0.9
520.24628	0.7
521.21869	1.3
535.26971	0.7
548.24005	2.9
549.25116	1.7
553.28259	1.1
554.52118	0.4
563.26685	4.5
564.26776	0.9
567.26105	0.6
581.27661	9.8
582.28522	0.8
593.24005	0.6
597.81281	0.5
608.26038	1.5
609.27588	2.0
612.25903	0.8
623.28778	2.2
623.43060	1.2
624.27240	0.5
626.27069	0.9
641.29681	100.0
642.30084	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	641.1705
Annotation	Isorhamnetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
57.03450	0.2
60.04542	0.2
61.02939	0.2
69.03423	0.8
70.06590	1.2
70.06917	0.2
71.52860	0.2
72.08186	0.3
73.02920	0.1
81.03442	0.5
81.07077	0.3
84.08162	0.4
85.02904	1.1
86.09703	0.3
87.04492	0.2
89.13022	0.1
91.05523	0.2
93.07077	0.2
95.08666	0.2
97.02917	0.6
99.04487	0.2
105.07077	0.2
107.08596	0.2
109.02911	0.5
109.06557	0.2
109.10158	0.2
110.07145	0.2
120.08083	0.3
127.03949	0.4
129.10220	0.2
133.02853	1.7
137.05942	0.7
141.95316	0.1
147.04413	0.3
150.03114	0.9
153.01825	9.8
165.05476	5.1
167.03477	0.3
174.11253	0.1
179.03430	0.4
205.05020	0.3
232.03665	0.9
257.04535	0.2
274.04663	1.6
285.04108	0.2
293.64285	0.2
301.03278	0.2
302.04211	24.9
303.04568	0.7
317.06546	100.0
318.06876	2.5
327.05020	0.5
479.11856	12.4
480.11813	0.5
518.39886	0.2
641.16467	0.4
641.26288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1708
Annotation	Isorhamnetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
53.03933	0.3
53.93100	0.2
55.01841	0.4
57.03414	0.7
61.02909	0.9
65.03942	0.2
69.03429	2.7
69.59371	1.3
69.59785	0.3
70.06577	1.0
71.04982	0.4
72.08130	0.4
72.98762	0.2
73.02905	0.5
81.03421	1.3
84.04482	0.3
84.08110	0.3
84.89657	0.2
85.02901	6.4
86.09684	0.3
87.04465	0.2
88.21758	0.2
91.03944	0.5
91.87858	0.2
92.02613	0.5
92.24667	0.2
93.03402	0.5
97.02896	2.4
99.04457	0.4
109.02884	0.8
121.02849	0.7
127.03912	1.3
129.10286	0.3
129.64218	0.2
139.03891	0.6
145.04910	1.2
147.04402	0.2
151.03911	0.8
153.01823	5.2
165.01811	0.6
177.05563	0.2
195.06458	0.3
201.05540	0.5
217.04965	0.5
228.04118	1.0
229.04999	2.2
245.04440	0.7
246.05244	1.0
257.04434	1.5
260.03244	0.2
261.07581	0.3
271.06073	0.2
273.03857	1.3
274.04712	3.6
284.03036	0.3
285.03934	2.9
302.04199	10.6
303.04651	0.4
317.06549	100.0
318.06912	1.9
359.07700	0.3
479.11789	7.1
564.22321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
53.03931	0.8
55.01875	0.8
55.05506	1.7
57.03444	0.4
65.03950	0.7
67.05505	3.6
69.03437	2.4
69.07065	1.9
69.32710	0.8
69.33111	2.8
70.06594	2.5
71.04996	1.0
72.08142	0.6
74.06058	0.4
76.69592	0.3
77.03957	1.6
79.05489	2.3
81.03418	4.7
81.07064	5.1
83.04990	1.7
83.08624	0.7
84.04539	0.4
84.08141	0.4
85.02908	2.5
86.06081	1.9
86.09694	0.6
88.36965	0.4
89.08508	0.3
91.05484	3.8
93.07043	2.7
95.04958	2.4
95.08604	3.4
96.08160	0.6
96.08920	0.4
97.02900	1.5
97.06530	0.8
98.09709	1.5
99.04451	1.3
99.08112	0.4
101.06030	0.8
103.05447	0.6
105.03378	2.2
105.07020	2.8
107.04978	2.7
107.08596	1.5
109.02890	2.6
109.06518	0.5
109.10167	5.0
110.07177	0.5
111.04448	1.6
111.08134	0.4
115.05399	0.5
116.10746	3.1
117.07025	1.3
119.04939	2.2
119.08586	1.1
121.02845	0.5
121.06545	1.2
121.10161	1.4
123.04449	0.6
123.08057	0.8
123.11705	1.6
127.03906	1.7
128.06209	0.7
128.07045	0.7
129.07010	1.0
131.04887	0.4
131.08571	1.5
132.04449	6.7
133.02859	9.3
133.06482	2.6
133.10112	0.8
135.04419	4.2
135.05431	0.6
135.08102	0.5
135.11690	0.7
136.06203	0.6
137.02385	0.8
137.05969	0.6
141.06964	0.4
142.08646	0.7
143.08569	0.7
144.05705	0.7
145.06483	2.1
145.10100	0.9
147.04434	4.2
147.08075	2.6
147.11635	0.4
148.04762	0.7
149.05998	1.2
149.09534	0.5
151.03903	12.6
155.07123	0.4
157.06509	1.5
157.10129	0.6
159.08113	2.4
159.11743	0.4
160.03932	0.4
161.05995	1.0
161.09589	1.2
163.07510	0.5
164.10678	0.5
165.05501	0.7
167.07062	0.8
167.08437	0.4
169.04965	1.4
169.10262	0.4
170.05276	0.5
170.07144	0.4
171.08057	4.4
173.06000	1.1
173.08211	0.4
173.09563	1.7
175.03967	2.0
175.07518	1.2
176.04428	0.4
177.05446	0.9
177.09077	0.6
178.04997	63.7
179.05333	1.1
181.05037	0.6
185.09659	2.9
185.13232	0.4
187.07550	2.9
189.05447	1.5
189.09129	0.5
190.12230	0.5
191.06998	0.6
195.07977	0.4
197.09531	0.6
199.07527	3.6
199.11133	0.5
206.04486	100.0
207.04762	1.2
207.06541	2.3
208.13260	0.6
211.11116	0.6
213.09074	1.2
213.12749	3.0
214.18036	0.7
217.08546	0.9
226.14378	1.4
227.14273	1.6
229.07321	1.2
237.12683	0.8
255.13803	40.2
256.14133	1.3
257.06671	0.6
271.05878	1.4
272.06381	1.1
272.09134	9.8
273.14832	4.2
282.10480	0.4
352.17548	0.6
368.17349	0.4
370.18503	0.9
388.19461	1.6
399.18115	5.5
417.19128	3.9
435.19794	0.5
486.26633	0.6
542.22278	5.3
622.22510	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.1
55.05506	10.2
62.80434	6.1
67.05505	45.6
69.03424	14.4
69.07069	61.0
69.45757	14.5
69.46155	60.0
72.92153	6.6
79.05488	38.9
81.03419	42.6
81.07058	71.2
83.04990	19.0
91.05491	41.9
93.07041	61.3
95.04961	39.0
95.08627	61.3
97.06501	14.0
105.03410	8.8
105.07026	63.2
107.08591	66.5
109.06492	23.9
109.10172	53.8
117.07003	21.9
118.72974	7.5
119.08595	75.5
121.10143	66.4
123.11684	21.5
129.07004	12.3
131.08539	34.2
133.10109	51.7
135.07990	9.3
135.11670	28.1
137.13266	10.1
143.08524	21.5
145.10104	51.3
147.11681	29.2
149.13298	11.7
151.11176	23.6
157.10112	30.4
159.11694	60.9
161.09615	17.8
161.13254	22.9
167.08446	11.1
169.10167	18.2
171.11687	21.5
173.09624	12.2
173.13287	35.2
175.11246	14.3
175.14856	14.0
179.14291	10.8
183.11737	9.0
184.84183	7.7
185.13245	31.9
187.14880	22.4
189.16360	17.9
197.13329	9.0
199.14818	29.0
200.15575	14.2
201.16412	35.8
203.14377	8.3
205.15939	11.7
209.13264	11.8
211.14856	14.2
213.16451	9.9
215.17966	19.5
217.15898	10.2
223.14960	8.7
227.14246	8.8
227.17897	8.0
245.15285	12.6
246.65996	7.6
269.22461	9.4
285.18591	7.9
291.19382	8.2
293.18814	8.1
295.24176	21.1
313.25314	14.0
363.26846	100.0
381.27765	84.3
395.29523	11.5
435.32431	29.5
453.33655	31.1
471.34735	21.8
531.38000	27.7
538.49219	8.5
549.39270	24.2
555.17584	8.5
606.88495	8.4
621.44409	13.1
639.45044	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	639.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.5
55.05499	10.7
56.73810	2.2
61.56599	2.8
65.85809	2.7
66.64481	2.2
67.05506	23.9
69.03433	12.0
69.07066	15.8
69.83904	6.0
69.84314	6.9
79.05484	18.5
81.03426	25.2
81.07050	33.1
83.04971	5.0
83.08617	4.6
85.06547	3.4
91.05483	21.6
93.07038	34.6
95.04966	10.4
95.08604	39.8
97.06535	4.7
97.10175	2.6
105.07031	29.6
107.08591	51.9
109.06509	8.7
109.10155	33.7
117.07014	7.3
119.08591	44.7
121.06487	6.7
121.10141	59.5
123.08051	10.5
123.11702	21.7
128.06209	3.7
129.06989	6.5
131.08578	27.3
133.10130	37.3
135.08054	10.9
135.11670	15.2
137.13240	6.8
142.07755	3.1
143.08546	15.6
145.10112	37.3
147.07976	3.8
147.11678	19.7
149.09610	5.0
149.13252	10.7
151.11163	13.7
155.08549	6.9
156.09372	5.0
157.10109	23.3
159.08105	2.7
159.11674	35.6
161.09615	13.4
161.13246	19.0
163.11179	4.8
163.14815	8.2
169.10068	8.6
170.10890	3.7
171.11684	18.7
172.12378	3.6
173.09671	4.7
173.13258	19.1
175.11189	9.7
175.14859	11.8
177.12740	6.8
177.16408	3.7
179.14421	2.5
181.10146	4.5
183.11664	15.5
185.09666	3.0
185.13274	19.9
187.11214	5.3
187.14810	19.1
189.12715	6.2
189.16412	9.1
195.11662	8.5
197.13232	14.0
199.14810	26.1
200.15582	7.5
201.12640	4.5
201.16359	28.9
203.14282	4.5
203.18034	3.9
205.15810	7.0
207.11662	4.1
208.12491	2.7
209.13194	6.0
211.14864	7.7
213.12866	3.4
213.16409	9.6
215.14381	6.8
215.17926	19.8
217.15887	8.3
223.14861	8.1
225.12860	4.0
225.16296	6.3
227.14259	9.5
227.17873	9.1
229.15817	7.7
229.19547	8.5
231.17358	5.9
235.14804	2.8
237.16379	5.2
239.17918	6.9
241.15791	5.4
241.19420	5.0
243.17462	3.3
243.20880	2.7
245.15482	7.8
247.14752	3.1
251.17844	3.5
253.15927	3.3
253.19452	3.7
255.17447	3.8
261.16211	3.7
263.17920	3.0
265.19772	2.7
267.17374	4.9
267.21045	5.9
279.20880	2.7
281.19052	2.5
293.19113	3.7
293.22571	6.9
295.24240	20.1
299.20175	3.4
303.20941	3.2
307.20538	4.2
313.25317	18.1
319.24149	4.2
321.22388	3.0
321.25766	10.6
337.25113	5.6
345.25708	7.0
353.28311	3.0
363.26810	100.0
370.50729	2.6
381.27866	92.8
395.29309	11.2
413.30508	7.3
417.31265	3.8
435.32578	25.3
453.33640	34.0
471.34549	20.0
481.36655	8.8
531.38397	18.2
549.39417	18.9
603.43695	4.0
621.44946	5.7
639.45953	14.9
640.46661	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	639.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	17.9
55.05513	16.9
57.07053	6.5
59.04987	8.8
66.29468	3.2
66.50790	3.0
67.05506	39.7
69.03440	24.9
69.07069	33.2
70.27648	6.6
70.28051	7.2
71.04976	5.9
77.03903	2.7
79.05495	34.6
81.03420	40.5
81.07055	61.9
83.04964	8.8
83.08606	8.9
91.05482	40.0
93.07045	59.7
95.04953	27.5
95.07983	3.9
95.08605	73.6
97.06524	7.8
105.07032	66.6
107.08597	83.4
109.06513	18.5
109.10162	53.7
111.08031	4.8
115.05475	4.3
117.07008	20.0
119.08588	95.9
119.09364	3.5
121.06490	8.9
121.10143	89.3
123.08052	13.7
123.11719	28.3
128.06215	7.5
129.06984	9.2
131.08569	44.3
133.10133	61.4
135.08043	17.5
135.11690	26.7
137.09583	5.3
137.13268	9.6
141.06966	4.3
142.07777	9.6
143.08551	31.4
144.09332	4.3
145.10126	66.8
147.08025	10.0
147.11697	38.6
149.09610	7.3
149.13263	18.7
151.11188	18.0
155.08548	12.0
156.09305	6.8
157.10141	37.7
158.10878	5.0
159.08046	5.7
159.11688	50.7
161.09634	16.0
161.13268	24.9
163.11139	7.7
163.14792	5.0
165.12721	4.4
168.09401	3.8
169.10127	20.2
169.12199	7.4
171.11662	28.6
173.09596	13.7
173.13284	28.4
175.11160	11.9
175.14778	14.3
177.12695	6.6
177.16422	4.4
179.14362	6.3
181.10146	7.2
182.10808	3.0
183.11697	16.0
184.12570	3.1
185.13280	27.4
186.13680	3.4
187.11209	5.8
187.14824	23.0
189.12679	7.7
189.16376	15.0
195.11707	13.4
197.13266	22.8
199.14804	35.9
200.15558	11.5
201.12639	6.1
201.16391	38.3
203.14276	8.3
203.17953	7.0
205.15897	13.7
207.11531	6.7
209.13255	11.1
210.13841	3.5
211.14807	13.8
213.12805	4.7
213.16367	11.9
215.14310	9.3
215.17944	23.6
217.15845	10.0
219.17511	3.9
221.13184	7.0
223.14832	10.2
225.12662	4.4
225.16290	6.0
227.14291	12.5
227.17854	9.5
229.15916	10.0
229.19502	8.8
231.17439	6.0
235.14935	7.3
237.16393	10.2
239.17931	8.6
241.15933	4.5
241.19438	8.3
243.17467	5.6
243.21164	4.0
245.15361	9.3
249.16269	8.5
251.17805	4.3
253.15845	3.8
253.19392	5.7
255.21107	6.9
257.18613	4.0
267.17639	6.9
275.17780	4.3
293.22501	6.0
295.24249	24.6
301.82690	3.5
311.23599	5.9
313.25156	19.7
319.24222	5.9
321.25711	6.6
323.23672	3.8
337.25183	9.6
345.25592	6.3
351.26886	3.8
353.28320	4.5
363.26794	100.0
381.27887	94.3
395.29630	15.3
413.30203	5.0
417.31232	7.3
435.32623	34.4
453.33603	44.5
471.34821	20.6
481.36877	7.9
531.38477	19.6
549.39423	21.9
561.23767	8.0
581.41492	5.8
603.43896	4.4
612.43604	3.4
621.25879	12.6
621.44659	7.3
639.45990	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13927	3.2
53.03958	15.7
53.50599	3.0
55.01867	13.7
55.05511	39.0
56.88430	2.9
56.93312	3.1
57.03431	12.3
57.07064	3.3
59.05005	5.5
61.02936	4.7
65.03941	4.4
67.05178	5.5
67.05509	75.3
68.05033	4.3
69.03428	46.3
69.07073	23.4
70.06587	3.3
70.65616	4.8
70.65957	9.2
71.01360	8.6
71.05006	19.2
72.08147	6.4
73.02921	5.8
75.03311	3.1
79.05495	67.2
81.02937	3.7
81.03418	98.5
81.07059	100.0
83.04984	28.6
83.08608	20.3
85.02905	25.8
85.06538	10.7
86.09712	13.1
91.05484	63.8
93.03460	4.2
93.07042	75.9
95.04964	25.4
95.08612	42.5
97.02900	33.5
97.06533	21.4
97.10172	15.2
99.04459	13.5
99.08099	5.3
101.02410	3.9
101.95056	3.5
105.07011	40.9
107.04984	18.5
107.08590	44.1
109.02885	32.4
109.06524	11.7
109.10169	18.3
111.04431	17.5
111.08097	10.8
117.07005	23.4
119.04958	4.0
119.08569	35.9
121.02907	3.9
121.06523	11.3
121.10146	28.7
123.04431	4.8
123.08051	8.5
123.11733	7.7
125.09631	15.3
127.03897	25.3
129.05473	5.4
129.07014	12.9
129.75519	3.5
130.07761	4.4
131.08574	34.4
133.06541	5.6
133.10133	26.9
135.08064	9.7
135.11703	29.3
137.09660	7.0
139.07553	3.4
139.11179	3.3
139.12305	4.3
141.06918	3.3
143.08603	9.4
145.06496	12.7
145.10121	26.8
147.04356	4.0
147.08055	12.2
147.11702	10.9
149.09663	8.0
149.13254	23.9
153.12766	11.1
155.08540	6.5
157.06538	6.0
159.08035	5.7
159.11699	13.3
161.09573	8.9
163.11174	28.2
165.12762	4.5
167.11819	16.7
169.10141	4.4
171.11682	6.2
173.04475	23.8
173.09613	9.2
173.13229	6.2
175.03870	4.4
177.12776	10.4
181.12195	14.4
183.11653	3.2
185.13225	4.2
191.10667	12.3
193.12227	7.2
195.11346	13.3
195.13805	13.4
207.06479	4.2
209.11716	43.1
211.14970	4.1
227.12766	25.5
233.15387	5.6
267.15707	3.9
269.17450	17.7
283.15457	11.1
288.25629	3.8
294.93698	3.3
301.16513	6.2
303.15488	4.1
308.19672	6.8
353.16006	7.4
379.23370	18.1
385.23648	7.5
393.31494	9.1
395.20578	6.4
403.24579	8.3
409.18634	5.2
414.31458	5.0
459.27460	53.3
477.28534	34.6
495.29587	11.6
534.45563	3.3
585.30414	4.7
603.31458	7.8
621.32684	21.6
639.33667	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2816
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
50.31775	0.7
53.03930	0.6
55.01868	0.7
55.05506	1.5
57.03434	0.7
57.07082	1.0
67.05519	3.6
69.07064	2.3
69.49046	1.2
69.49445	3.6
70.55501	0.7
79.05495	2.6
81.07067	4.4
83.08635	1.0
91.05493	3.0
93.07047	3.4
95.08609	2.7
97.06551	1.2
104.18081	0.6
105.07015	3.5
107.04973	1.6
107.08603	1.8
109.06551	0.6
109.10182	1.2
117.07053	1.0
119.08592	1.9
121.06581	0.8
121.10159	1.0
123.08060	0.7
127.03664	0.6
129.07013	1.0
131.08595	1.1
133.10121	1.6
134.06012	0.7
143.08571	0.8
145.10129	0.9
147.08063	0.7
151.32698	0.6
161.09586	0.9
171.06239	0.6
223.12335	1.2
225.10263	0.8
237.10268	0.9
238.14604	0.7
251.11804	0.8
273.18384	1.1
275.20111	1.8
281.65311	0.6
307.74969	0.8
313.27563	1.2
314.13339	0.8
347.22336	0.7
390.18500	0.9
391.19360	2.4
393.20963	1.5
393.49594	0.7
405.16925	1.0
406.21997	1.0
407.22812	3.2
418.18121	2.0
419.18689	2.6
419.23471	1.2
420.19595	1.2
421.20422	4.4
431.18933	0.9
433.15665	0.9
433.20453	9.5
434.21259	4.6
435.22412	6.0
436.22592	2.2
447.22052	2.3
448.22946	0.8
449.19708	7.2
450.20718	1.4
461.24268	0.7
462.21469	0.8
463.21765	3.2
464.22165	3.5
465.23019	1.9
473.23566	2.1
475.21045	1.2
477.18787	1.2
478.19864	1.5
479.20889	2.2
489.23206	0.9
491.20468	1.0
492.21658	4.1
493.21954	3.7
496.13168	0.7
501.22928	1.1
503.24527	1.2
505.22546	1.7
507.23907	3.1
519.24036	1.8
520.24603	1.4
521.25800	6.1
531.23877	1.5
533.22015	0.8
535.23798	1.1
537.22571	1.3
547.23315	1.0
551.26770	3.2
561.25055	2.3
564.24005	1.9
565.24469	1.9
575.23047	2.7
579.26050	27.9
580.26453	3.0
581.27692	1.8
597.27051	2.6
607.25452	12.7
608.25757	1.7
611.28485	1.2
621.27246	3.6
622.26996	1.4
633.00500	0.7
639.28210	100.0
639.40857	15.5
640.28418	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	639.281
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
52.18949	0.4
55.05496	0.4
57.07071	0.3
67.05508	0.8
69.07072	0.7
69.24385	0.4
69.78665	0.7
69.79063	1.1
79.05495	0.8
81.07048	0.9
91.05482	0.4
93.07050	1.0
95.08626	0.4
95.64922	0.3
98.20756	0.6
105.07039	0.8
107.08601	0.4
117.07035	0.4
119.08589	0.9
120.08171	0.4
125.07915	0.4
125.48476	0.4
131.08586	0.6
133.10100	0.5
148.26985	0.4
183.00771	0.4
202.45157	0.4
204.06406	0.5
205.10374	0.4
223.66423	0.4
239.11887	0.7
251.11934	0.4
265.09631	0.4
275.20169	0.6
291.19595	0.4
294.34317	0.4
313.27466	0.6
314.13138	0.4
343.10251	0.4
371.38120	0.4
379.19305	0.7
390.17972	0.4
391.15167	0.5
393.17145	1.0
405.17084	1.0
406.17935	1.3
407.18661	2.0
419.14426	0.7
419.19031	0.6
420.15179	0.7
420.19888	1.0
421.20459	6.8
422.20828	1.7
423.21970	0.7
432.19391	0.7
433.15710	0.5
433.20544	1.3
434.17615	1.3
435.17255	2.3
436.23227	1.8
445.16269	0.8
446.17255	0.7
447.17386	0.8
447.22635	0.8
448.18753	2.3
449.19662	10.4
450.20438	2.9
451.21149	0.5
459.17944	1.1
460.18933	0.6
461.19720	1.3
462.20651	1.0
463.21658	5.2
464.22235	4.6
465.22726	1.1
473.20096	0.6
474.20288	0.6
475.21368	2.3
476.18060	0.9
477.18982	5.5
478.20044	1.6
479.20645	0.6
491.20255	0.9
492.21338	1.0
493.22522	0.9
495.24258	0.7
498.47830	0.4
505.22147	0.8
507.24399	0.8
509.25659	0.7
519.19781	0.6
521.21936	1.3
523.23065	2.0
533.21991	1.2
535.23676	3.1
536.24084	1.2
537.21527	1.2
547.24243	0.4
550.25360	0.7
551.26886	3.0
561.24860	2.3
564.23743	4.3
565.24506	2.8
579.26068	7.1
580.26257	0.5
581.23767	0.6
592.23279	0.8
595.25696	2.9
596.26202	1.0
607.25574	0.4
610.27820	1.1
621.27228	4.5
624.25684	5.6
639.28101	100.0
640.28485	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2813
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
69.59906	3.2
69.60323	2.0
107.08579	0.7
109.10203	0.8
137.38792	1.0
171.35954	0.8
211.12477	0.7
281.13757	0.7
285.14087	0.7
375.16263	1.2
377.17648	2.2
378.18771	1.2
389.18338	0.8
390.18442	1.7
391.19180	6.7
392.19965	4.8
393.20673	1.0
403.19498	1.9
404.20151	2.7
405.20773	11.8
406.21436	6.6
407.22217	15.5
417.20804	1.6
418.21808	1.8
419.22418	6.2
420.23096	5.2
421.18033	0.8
421.23895	19.5
422.17511	1.1
422.24658	3.6
431.22800	1.5
432.19156	1.0
433.24463	3.9
434.24521	2.2
435.18201	2.9
435.25616	0.9
436.19165	2.1
437.20303	1.1
437.47906	0.8
445.20398	1.5
447.21429	1.4
448.26505	1.5
449.20056	2.3
449.27133	1.1
450.20441	1.6
451.21249	15.9
452.21988	5.3
453.23108	0.9
459.21750	1.3
460.22794	1.2
461.23459	2.3
463.21213	2.2
464.22256	1.8
465.22885	20.3
466.23532	2.3
473.19650	1.8
475.25269	1.1
477.23141	1.5
478.23730	1.8
479.24319	1.8
487.21341	2.6
488.22205	1.4
491.20941	2.2
492.25995	1.5
493.25946	1.7
501.22961	2.7
503.24432	15.3
504.25055	3.0
505.22763	0.9
507.27646	10.9
508.28397	3.0
519.24475	0.9
523.23340	3.2
533.25684	1.5
535.27136	19.0
536.28015	1.2
537.24945	11.3
551.26312	6.8
552.27277	19.6
553.27533	1.7
561.24951	4.6
562.25281	0.8
579.26001	11.1
580.26532	6.3
593.27856	1.6
595.29108	6.1
621.27020	21.0
622.27557	1.5
639.28113	100.0
640.28503	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	639.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.5
55.46626	0.4
67.05495	1.8
69.07059	0.8
79.05476	1.7
81.07063	1.8
83.08620	0.4
91.05473	1.6
93.07070	1.8
95.04990	0.8
95.08597	1.2
105.07027	1.6
107.08598	1.3
109.06467	0.6
109.10150	1.1
117.07016	0.7
119.08577	1.1
121.10149	0.8
123.08135	0.5
131.08582	0.7
133.10133	0.5
135.11674	0.5
145.10144	0.8
147.11729	0.8
173.45192	0.4
175.03949	0.7
182.41074	0.4
189.09142	0.6
198.02979	0.4
199.03812	0.5
224.00774	3.2
225.01677	0.9
227.03242	1.1
237.01605	0.6
243.10292	0.4
244.97063	0.4
257.19125	0.4
267.06271	0.8
268.07172	0.8
269.07898	1.1
273.18512	0.6
275.20053	1.2
284.08838	0.4
291.19608	0.9
297.07355	0.9
309.07336	7.8
309.63208	0.4
320.70062	0.4
353.13611	6.1
379.11545	1.1
459.67203	0.4
510.01788	0.4
639.21942	100.0
639.43188	2.3
640.22211	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	639.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78997	0.4
53.03950	0.6
55.05507	1.3
55.75580	0.4
57.03426	0.4
57.07062	0.4
61.02920	0.5
61.59730	0.4
64.45832	0.5
67.05507	3.0
69.07063	1.3
69.42310	2.0
69.42742	1.9
74.05308	0.4
79.05490	1.8
81.07048	1.8
85.02898	1.2
91.03966	0.6
91.05479	1.9
93.07040	1.4
95.04942	0.7
95.08608	1.1
97.02849	0.8
97.04018	0.4
97.10172	0.7
98.20765	0.9
105.07026	1.6
107.04910	0.7
107.08594	1.8
109.06529	0.9
109.10127	0.7
114.26183	0.5
117.07072	0.4
119.08576	0.8
120.08097	0.5
121.10147	1.1
122.65595	0.4
128.77132	0.4
129.06992	0.4
131.08589	0.5
133.10182	0.8
145.10110	1.1
149.09641	0.5
157.10147	0.7
159.11685	0.6
183.11678	0.5
189.11310	0.5
196.01340	1.6
204.06578	0.6
214.02412	1.4
224.00742	3.9
228.77927	0.5
240.00377	1.9
241.01086	2.6
251.06783	3.1
267.06308	1.0
268.06985	0.6
273.18463	1.0
275.20087	1.3
291.19638	1.6
309.07361	16.6
313.27362	0.8
314.27606	0.6
321.07550	0.5
321.10754	2.4
335.12619	1.4
337.14035	2.4
341.15897	0.5
353.13608	15.5
539.13129	1.0
551.26538	0.8
554.15533	8.7
579.25513	0.6
611.28711	2.6
621.41077	0.9
639.21863	100.0
639.42969	3.3
640.22180	6.3
660.40149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
54.50291	0.6
55.01870	1.4
55.05485	0.8
57.03421	2.4
65.03931	1.7
67.05496	1.5
68.99793	1.9
69.03088	1.1
69.03430	14.5
69.07047	1.2
70.06573	1.5
71.04967	1.2
71.12678	1.2
71.99564	0.6
77.03925	0.9
79.05482	3.9
81.03433	3.8
81.07038	2.5
83.04955	1.9
84.08121	0.9
85.02905	9.0
86.09709	0.7
89.03903	0.8
91.05483	26.8
93.07032	1.6
95.04950	2.2
95.08580	1.0
97.02905	1.5
99.04446	2.1
103.05463	2.3
105.03397	1.1
105.07008	2.6
107.04954	5.5
107.08611	1.3
109.02892	2.2
109.06481	1.1
109.10197	0.9
111.04455	3.5
111.05156	0.6
115.05458	1.5
117.06980	1.9
118.04196	0.9
119.04943	38.4
119.08564	1.4
120.05209	0.7
121.02873	2.7
121.06503	2.5
121.10137	1.1
123.04427	1.0
123.11667	0.7
125.02335	0.7
125.05978	2.1
127.03930	1.4
129.03365	1.4
131.04903	1.3
131.08531	0.7
132.02071	1.4
133.02866	1.6
133.06514	3.5
133.10164	0.8
135.04416	13.1
135.08032	1.4
136.05260	0.8
137.05995	1.1
141.01822	0.7
145.02800	0.8
145.06505	3.1
146.03613	0.6
147.04416	34.7
149.02332	2.1
149.06004	1.5
151.03990	1.0
152.80583	0.6
153.01840	8.6
153.05458	4.1
157.03984	3.3
159.04446	0.9
161.05992	8.8
163.03941	1.4
164.04713	1.0
165.01843	13.3
167.07066	1.9
171.02994	1.4
171.04382	1.2
173.05946	1.5
173.15108	0.6
175.03912	54.6
176.04321	1.4
177.01814	4.6
177.05490	2.1
178.04953	2.0
179.03401	1.0
179.07045	1.8
181.01357	0.8
183.02887	9.0
189.05481	3.4
189.56253	0.6
191.03400	3.5
192.04199	0.9
193.01337	1.0
193.04884	1.8
193.08679	1.0
195.02888	37.7
203.03410	5.9
205.01357	1.7
206.04497	2.2
207.06529	100.0
208.06921	1.0
213.03975	2.3
217.04991	9.6
219.03003	3.2
219.06564	1.0
221.04474	4.4
221.08005	1.6
223.02269	1.2
235.06050	1.7
237.03944	1.0
245.04468	26.4
247.09396	0.8
249.07613	5.4
263.05515	42.4
264.05923	0.7
271.06018	1.8
272.13599	0.7
273.07626	0.9
281.06543	2.1
287.09180	2.2
291.08630	0.8
299.09250	4.0
306.59769	0.6
311.08780	1.2
311.11728	1.1
317.06586	4.1
317.09946	0.9
329.10239	6.9
337.10742	1.6
353.09610	1.1
353.12814	1.5
379.11780	9.9
397.12732	5.6
451.13928	5.4
487.12936	0.8
505.13223	1.3
639.19873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01869	0.6
55.05496	0.8
57.03439	0.5
60.04512	0.5
65.03918	1.7
67.05494	1.4
69.03429	1.3
69.07055	1.3
70.06579	1.5
71.04979	0.8
71.52474	0.6
71.71733	0.3
72.08132	0.6
77.03937	0.6
79.01879	0.4
79.05474	1.4
81.03404	1.9
81.07059	2.1
83.04948	0.4
84.04482	0.5
84.08104	0.5
85.02899	1.8
85.06525	0.5
86.09692	0.8
89.03912	1.2
91.05479	26.8
93.07037	1.5
95.04950	1.2
95.08597	1.3
97.02888	1.0
97.06509	0.6
99.04442	0.6
103.05486	0.9
105.01817	0.4
105.03374	1.9
105.07018	1.3
107.04925	0.8
107.08574	1.1
109.02848	1.7
109.06480	0.6
109.10164	1.0
111.04400	0.5
113.06004	0.4
117.07005	0.5
118.04174	0.6
119.04939	34.6
119.08565	1.0
121.02859	5.6
121.06513	0.7
121.10133	1.3
121.18773	0.4
122.03724	0.3
123.08043	0.4
125.09653	0.5
126.10258	0.8
127.03924	1.3
129.03381	0.8
129.06982	0.4
129.10175	0.4
131.04906	0.7
132.02057	1.2
133.02809	0.7
133.06465	0.7
133.10130	0.7
135.04453	0.7
135.11731	0.5
136.05150	0.4
136.07547	0.4
137.06013	0.5
138.03172	0.4
140.10623	0.4
145.02821	1.6
145.04959	0.4
145.10135	0.5
147.04407	32.2
147.11646	0.6
149.02318	1.2
149.09586	0.4
151.03896	0.7
153.01801	1.5
157.03973	3.4
159.08037	0.5
159.11821	0.5
163.03943	0.9
164.04703	0.8
165.01852	1.0
167.03398	1.2
167.06999	1.0
171.11678	0.4
173.09665	0.4
175.03906	51.0
176.04286	0.4
177.01875	0.5
177.05470	0.9
179.05569	0.4
179.07025	2.6
183.02898	1.1
187.03951	0.4
187.07504	0.5
189.09145	0.5
191.03523	0.5
192.04083	0.4
195.02873	1.0
197.05992	0.6
207.06525	100.0
208.06841	1.7
213.05499	0.5
215.03432	0.4
217.08582	0.3
227.06999	0.6
243.06415	0.7
247.09734	0.6
253.12227	0.4
255.06425	2.2
255.13879	0.7
256.07300	2.6
268.07547	0.4
271.06006	6.4
283.06003	7.6
284.06772	11.5
285.07434	1.7
287.05536	0.7
287.12546	0.5
295.05933	4.8
297.07562	1.5
307.05911	0.4
309.07462	0.7
313.07043	62.9
314.07324	1.9
323.09045	0.8
325.06848	0.8
333.07355	0.6
337.07034	2.6
339.12042	1.0
361.07037	1.5
367.08362	0.4
369.11749	0.4
379.07971	1.9
397.09198	1.2
415.10153	2.7
433.11301	4.2
603.14734	0.4
621.15796	1.5
639.16650	3.8
639.24976	0.4
639.34143	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
55.05504	0.3
65.03933	0.4
67.01857	0.5
67.05485	0.3
68.99763	0.7
69.03421	0.6
69.07064	0.2
69.25935	1.6
70.06580	0.5
71.04972	0.3
79.05482	0.3
81.03419	1.2
81.07053	0.5
83.08656	0.2
84.08143	0.3
85.02889	0.5
85.06539	0.2
86.09740	0.2
91.05488	4.2
93.07047	0.2
95.04981	0.2
95.08593	0.3
97.02859	0.3
97.06506	0.2
98.21612	0.3
99.04475	0.1
100.11220	0.4
103.05466	0.1
105.03365	0.2
105.07015	0.2
107.08530	0.2
109.02851	0.7
109.10160	0.3
111.00797	0.2
111.04385	0.2
116.07102	0.2
117.03466	0.1
119.04945	7.5
119.08578	0.2
120.05242	0.2
120.08144	0.2
121.02862	1.4
121.06502	0.2
123.11717	0.2
127.03919	0.4
129.01805	0.4
133.10138	0.2
138.09048	0.2
145.02831	1.5
147.04408	5.8
149.02338	0.2
153.01826	6.0
155.05003	0.1
156.28766	0.1
157.03963	0.5
163.03992	0.7
164.04674	0.2
171.02878	1.7
175.03909	10.2
176.04277	0.2
179.07076	0.4
182.15514	0.3
203.07054	0.5
207.06531	24.3
207.43208	0.2
208.06853	0.5
210.14853	0.3
214.17928	0.2
225.05446	0.8
229.04933	0.5
243.06534	0.2
247.09694	0.2
271.06009	100.0
272.06375	1.9
284.06821	0.2
313.07007	0.4
351.10703	1.8
369.11835	1.1
639.16650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
53.64021	0.5
55.01842	0.6
55.05495	1.8
57.03412	1.2
65.03912	0.8
65.67884	0.5
67.05506	3.6
68.20922	0.5
69.03430	14.7
69.07047	2.1
70.06589	3.6
70.81712	1.7
71.05000	0.7
71.08140	0.7
72.08175	0.8
72.91809	0.5
73.02905	0.8
77.03919	0.6
79.05498	3.5
81.03422	3.9
81.07065	4.7
83.04958	1.0
83.08598	1.3
84.08136	1.4
84.67904	0.6
85.02905	2.3
85.06523	1.0
86.09682	1.2
91.05482	15.4
93.07043	3.5
93.52749	0.6
95.04951	2.2
95.08616	2.7
97.02875	2.4
97.06532	0.8
99.04457	1.4
103.05449	1.2
105.03374	1.3
105.07019	2.5
107.04959	0.9
107.08571	2.9
109.02875	3.2
109.06495	1.2
109.10134	1.9
116.07085	1.6
117.07008	0.7
119.04940	25.6
119.05795	1.3
119.08562	2.6
121.02841	1.8
121.06506	1.4
121.10144	1.6
123.11692	1.0
125.09634	0.7
127.03918	8.7
129.06967	1.0
131.04918	2.2
131.08530	2.5
132.02051	0.7
133.02863	1.9
133.10135	2.2
135.04398	1.1
135.11659	1.0
137.06000	0.7
137.09608	1.0
143.08527	1.1
145.06354	0.6
145.10120	1.4
147.04410	25.5
147.11679	1.6
149.05966	0.8
151.03964	0.7
151.07504	0.6
153.01801	1.5
157.03998	2.1
157.10141	0.7
159.08063	0.9
159.11702	1.3
161.05951	1.2
161.09641	1.1
163.03873	0.7
164.04716	0.8
165.01894	0.6
167.07037	2.1
167.08392	0.7
171.11661	0.6
173.05959	0.8
173.13313	0.8
175.03902	45.7
176.04344	0.8
178.05032	0.7
179.03300	0.6
179.07043	2.4
181.04895	0.6
183.08160	0.6
186.09129	1.0
189.05473	0.8
190.08647	0.9
193.12115	0.7
206.04327	0.7
207.06525	100.0
208.06938	1.6
213.09250	0.8
219.06575	1.2
225.07565	0.7
234.04927	0.6
235.05981	0.7
243.06441	0.6
247.09557	1.2
254.04622	0.6
255.13910	1.3
257.62674	0.7
261.07770	1.0
263.09079	0.8
271.03088	1.1
271.06012	20.2
273.14902	0.6
291.08475	1.4
351.10715	11.3
369.11823	10.5
477.28467	0.8
574.07025	0.7
661.95953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.8
57.07078	12.4
67.05506	27.3
69.07066	10.6
71.53548	6.5
79.05498	7.9
81.07047	14.5
85.06524	7.4
90.67680	4.5
91.05468	5.3
93.07037	10.4
95.08586	9.8
99.67532	4.6
107.08605	11.4
109.10139	13.1
119.08551	5.5
121.10133	8.0
124.77364	4.3
137.09682	5.2
138.51422	4.8
147.04384	11.2
159.04391	9.6
173.09688	5.6
175.03899	100.0
175.05310	7.0
176.82356	4.6
177.05502	7.7
187.03879	27.4
189.05499	6.7
199.03859	8.2
203.03305	5.6
213.05560	9.2
226.06270	11.7
229.08594	24.3
231.10149	12.3
241.08630	28.9
241.93846	5.2
243.10172	19.0
247.09685	52.2
255.10146	4.5
259.09674	8.6
295.13312	14.4
301.58502	4.4
313.14328	45.3
313.27338	8.0
331.15466	25.9
477.76675	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	639.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.2
55.05500	0.2
65.03926	0.3
65.06612	0.1
67.01856	0.7
67.05484	0.3
68.99780	0.7
69.00134	0.1
69.03420	0.6
69.07064	0.1
70.06603	0.5
71.03419	0.2
71.04979	0.1
74.06065	0.1
75.02364	0.1
77.03918	0.1
78.97456	0.1
79.05469	0.2
81.03417	1.1
81.07059	0.4
83.04976	0.1
83.08608	0.1
84.08138	0.2
85.02042	0.1
85.02914	0.4
85.06535	0.1
86.09693	0.2
88.86892	0.1
89.03905	0.1
90.97208	0.1
91.05479	4.1
93.07020	0.3
95.04957	0.4
95.08591	0.3
95.11550	0.1
97.02853	0.2
97.06503	0.1
97.10124	0.1
99.04420	0.2
100.07626	0.1
100.11266	0.5
103.05454	0.1
105.01974	0.1
105.03368	0.2
105.07021	0.3
107.04961	0.2
107.08616	0.2
107.99851	0.1
109.02867	0.5
109.06500	0.1
109.10142	0.2
111.04443	0.2
116.07056	0.2
119.04936	7.4
119.08582	0.2
120.05270	0.1
120.08041	0.1
121.02863	1.2
121.06490	0.1
121.10114	0.2
123.04366	0.1
123.11729	0.1
127.03891	0.4
128.07072	0.1
129.01826	0.3
129.03412	0.1
129.06960	0.1
131.04926	0.2
131.08578	0.1
132.02119	0.2
133.02805	0.1
133.06502	0.1
133.10052	0.1
135.04379	0.2
135.08028	0.1
136.07574	0.1
137.05974	0.2
139.11179	0.1
145.02844	1.5
145.10065	0.1
147.04402	5.1
147.11667	0.1
149.02341	0.2
149.05939	0.1
151.03926	0.1
151.07567	0.1
151.11166	0.1
153.01823	5.8
154.02045	0.1
155.11163	0.1
157.03973	0.4
157.06488	0.1
163.03908	0.7
164.04713	0.2
166.10971	0.1
167.06956	0.1
171.02884	1.5
173.09589	0.1
175.03905	9.8
176.04185	0.2
177.05511	0.1
179.07014	0.6
182.15401	0.3
185.05995	0.1
187.03925	0.2
191.07187	0.1
192.04143	0.2
201.05470	0.2
202.06041	0.1
203.06999	0.4
207.06522	23.6
208.06877	0.3
210.14888	0.4
211.03908	0.1
215.07028	0.1
225.05472	0.7
225.07512	0.1
229.05013	0.5
243.06487	0.3
247.05989	0.2
247.09641	0.1
253.05061	0.1
254.05690	0.1
263.54373	0.1
265.08508	0.1
271.06000	100.0
272.06342	1.9
283.06021	0.3
287.05469	0.1
293.07916	0.1
295.06122	0.2
306.08487	0.1
313.07031	0.4
325.10672	0.2
326.11017	0.2
337.06689	0.1
338.11057	0.2
351.10754	2.1
369.11819	1.1
415.10001	0.1
433.11264	0.1
488.15753	0.1
639.16382	0.6
639.33124	0.2
639.44196	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	17.8
55.01850	4.8
55.05515	19.3
57.03437	7.2
57.07070	9.6
59.04974	8.5
65.03941	6.5
67.05501	50.3
69.03413	16.9
69.07062	35.6
69.67610	11.2
69.68031	14.1
71.04984	7.6
71.08614	4.2
79.05492	38.4
81.03414	47.7
81.06593	5.4
81.07057	70.0
83.04967	34.6
83.08601	11.5
85.60482	3.8
87.04506	4.8
91.05473	41.6
93.07037	61.9
95.04969	68.7
95.08605	93.8
97.06494	22.0
97.10178	5.4
99.04453	8.9
105.07032	83.2
107.08595	95.5
109.06517	33.0
109.10154	73.5
110.53044	3.8
111.04367	4.4
111.08105	5.6
117.07008	19.7
119.08573	92.0
121.06502	18.2
121.09326	8.3
121.10140	100.0
121.63464	4.4
123.08064	13.9
123.11698	40.4
125.05965	10.2
125.22044	4.7
127.07512	4.8
128.06226	6.2
129.06984	19.4
131.08557	45.9
133.06516	7.7
133.10123	67.4
135.08055	11.7
135.11691	49.0
137.09656	7.1
137.13248	18.5
139.07555	14.8
141.06897	7.8
142.07787	11.0
143.08551	47.9
145.10127	71.2
147.08017	8.0
147.11671	48.0
149.09601	12.6
149.13242	15.8
151.11185	39.9
155.07397	4.2
155.08522	21.0
156.09283	7.3
157.10135	51.4
159.08041	8.4
159.11688	70.1
161.09657	19.3
161.13248	26.8
163.11238	13.2
163.14792	7.8
169.10141	22.5
169.12224	12.6
170.10884	5.8
171.11685	36.9
172.12564	5.9
173.09610	15.6
173.13242	43.2
175.11171	15.4
175.14766	28.9
177.12767	6.8
177.16414	6.5
179.14331	5.1
181.10077	12.5
182.10860	8.3
183.11717	30.0
185.09613	7.3
185.13245	38.2
187.11206	10.5
187.14784	35.1
189.12741	6.3
189.16383	32.1
193.10161	4.5
195.11655	13.1
196.22981	4.1
197.13177	29.3
199.14792	48.0
200.15631	14.6
201.12737	14.6
201.16365	75.1
203.14352	8.7
203.17947	6.0
205.15820	8.1
206.11044	4.7
207.11830	7.2
209.13284	18.2
211.11227	4.8
211.14810	18.4
213.12730	12.4
213.16464	19.5
215.14420	8.9
215.17924	38.7
217.15855	13.3
219.11717	5.1
221.13263	7.9
223.14841	12.8
225.16377	17.4
227.14363	12.8
227.17921	21.3
229.15868	10.8
229.19551	12.8
231.13818	9.5
235.14780	12.6
237.16359	9.3
239.14359	7.3
239.17937	12.1
241.15704	5.8
241.19615	13.5
242.40547	4.2
243.17444	5.8
245.15407	9.2
251.18069	6.2
253.15891	8.3
253.19571	9.0
255.17393	9.6
255.21204	11.2
257.22540	5.4
263.16367	5.7
265.19464	4.5
267.17520	8.8
267.21155	6.7
269.22845	4.3
277.19632	5.8
285.18484	5.8
293.22632	9.1
295.24149	35.8
296.24661	4.5
297.18613	6.5
307.20291	4.4
309.25616	4.5
311.20142	4.8
311.23535	9.9
313.25241	21.0
319.24277	12.8
321.25732	7.2
333.25769	5.7
335.23499	5.0
337.25208	15.0
355.26514	4.7
363.26825	53.8
363.63223	3.9
365.28403	5.6
375.26593	7.2
377.28326	6.4
381.27927	47.3
393.27774	11.4
403.30176	4.6
411.29370	4.8
415.29861	13.2
421.30746	4.3
433.31073	46.7
451.25739	5.2
451.32019	94.1
452.31998	5.5
469.33078	40.8
472.66302	4.7
481.37241	6.1
539.91193	4.4
549.39374	12.6
608.12952	5.2
619.43091	9.9
637.44330	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	17.8
55.01859	6.8
55.05510	16.9
57.03425	3.9
57.07076	3.6
59.04991	6.5
62.30005	2.6
65.03932	5.0
66.65626	3.0
67.05502	52.6
69.03431	21.5
69.07069	40.0
70.12901	6.2
70.13254	8.8
71.04984	11.8
75.04462	4.4
77.03910	3.0
79.05489	38.1
81.03416	52.0
81.07055	73.9
83.04982	37.5
83.08611	8.8
85.02902	3.5
85.06551	3.4
91.05470	51.3
93.06477	5.4
93.07041	68.2
95.04960	60.6
95.08608	88.0
97.06547	17.3
97.10120	6.4
99.04443	9.7
101.06030	3.6
103.05492	4.1
105.07035	77.8
107.08591	96.9
109.06514	27.3
109.10156	75.8
111.08060	4.3
117.07025	24.6
119.08581	89.6
121.06515	10.4
121.10146	100.0
123.08070	16.0
123.11708	32.8
125.05981	9.4
127.07526	5.8
128.06189	5.9
129.06984	19.5
130.07806	3.5
131.08571	44.0
133.06525	3.3
133.10130	77.7
135.08028	18.0
135.11679	39.2
137.09598	10.9
137.13272	17.3
139.07530	19.2
141.07022	5.9
142.07768	11.6
143.08546	41.7
144.09331	6.7
145.06517	4.2
145.10123	68.4
147.08049	12.4
147.11710	46.8
149.09596	10.7
149.13260	19.5
151.11172	30.3
153.09094	3.7
155.08545	21.9
156.09314	7.2
157.06532	3.0
157.10127	49.6
159.08047	4.7
159.11685	59.7
161.09636	22.0
161.13268	33.9
162.13657	4.0
163.11229	14.3
163.14830	12.2
165.06992	5.1
165.09145	3.9
167.08609	6.7
169.10132	20.4
169.12276	9.3
170.10873	4.3
171.11685	38.5
173.09576	15.9
173.13251	40.6
175.11154	14.5
175.14783	24.1
177.09181	3.6
177.12759	11.0
177.16350	7.2
179.14201	3.5
181.10123	10.1
182.10934	5.7
183.11655	31.2
184.12415	4.6
185.13283	39.6
187.11189	10.3
187.14812	33.7
189.12727	8.1
189.16338	23.2
191.14308	4.0
193.10176	5.3
195.11703	15.6
197.13261	22.5
198.13934	3.0
199.14809	35.1
200.15561	19.4
201.12785	5.6
201.16370	62.6
203.14258	8.0
203.17972	12.3
205.12279	4.4
205.15932	10.5
209.13286	11.9
210.13913	3.2
211.14790	19.0
213.12743	17.0
213.16249	14.3
215.14352	9.9
215.17943	40.3
217.15866	19.4
217.19539	4.0
221.13220	5.7
223.14838	13.6
225.12923	6.8
225.16490	14.1
227.14304	13.2
227.17868	17.6
229.15805	8.8
229.19481	11.8
231.13760	8.2
231.17429	4.9
233.15482	3.6
233.19072	4.2
235.14830	8.5
237.16402	9.8
239.14297	4.2
239.17964	7.5
241.15929	8.4
241.19600	8.6
243.21156	6.5
245.15459	10.2
247.14801	3.0
249.16489	7.2
251.17976	10.2
253.15923	5.3
253.19623	10.9
255.17564	3.8
255.21045	8.4
257.22681	4.6
259.16925	3.6
263.18033	4.2
265.19531	7.3
267.17429	7.3
267.21085	7.3
268.21780	4.6
269.19073	9.8
269.22342	3.3
276.81631	3.4
277.19583	5.0
279.17639	3.1
279.21191	5.7
280.21945	3.3
281.19275	3.9
291.20889	5.3
293.19241	3.7
293.22617	8.3
295.24106	22.6
297.18509	5.9
309.25873	4.1
311.23663	8.9
313.25232	17.9
319.23993	14.2
321.25754	10.3
333.22156	3.8
333.25873	5.7
335.27338	5.0
337.25238	11.7
339.26755	4.1
351.26718	4.7
353.28372	3.5
355.26535	3.8
363.22665	4.5
363.26831	61.7
364.27167	3.7
375.26904	4.7
377.28571	5.2
381.27881	43.2
393.27792	16.2
395.29419	3.1
397.78040	3.5
411.29135	5.2
415.29929	9.5
421.30811	6.0
433.31067	45.4
451.32104	70.2
452.32474	3.9
469.33185	23.4
481.36841	6.9
549.39154	8.7
601.42560	4.5
619.42944	7.9
637.44244	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	637.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
54.09011	2.3
55.01859	2.8
55.05509	16.1
59.04993	2.6
59.56114	2.6
67.05502	20.0
69.03429	15.8
69.07063	18.6
69.54607	7.6
69.55022	10.7
71.04977	3.9
79.05495	37.9
81.03426	6.6
81.07068	39.0
83.04977	7.1
83.08609	7.3
87.04473	2.9
91.05467	24.8
93.07050	55.8
95.04989	12.5
95.08607	57.8
96.08963	3.1
97.06527	8.8
97.10158	3.0
105.07027	48.7
107.04937	3.4
107.08591	59.3
109.06533	5.3
109.10155	41.5
110.24220	2.5
111.11665	3.4
115.05418	3.3
117.06994	10.8
119.08577	51.1
121.06506	6.3
121.10148	63.4
123.08073	10.2
123.11705	20.1
123.89956	2.5
125.09632	3.0
128.06236	2.8
129.07004	9.3
130.07854	2.8
131.08560	29.6
133.06454	2.3
133.10135	39.9
135.08069	10.9
135.11674	25.5
137.09624	4.2
137.13245	8.8
139.07529	3.1
141.07027	5.6
142.07751	5.3
143.08542	22.0
144.09349	3.5
145.10110	35.0
147.08008	6.2
147.11678	26.5
149.09622	9.9
149.13255	14.8
151.11208	4.4
155.08585	8.0
156.09372	3.9
157.10144	25.6
158.10893	4.4
159.08087	3.9
159.11699	44.5
161.09644	12.0
161.13283	18.0
163.11249	6.3
163.14847	6.3
167.08514	3.4
168.09370	4.3
169.10127	9.8
170.10898	2.7
171.11702	24.6
173.09628	10.2
173.13251	25.2
175.11211	11.1
175.14812	14.7
177.12799	8.8
179.14349	6.2
181.10127	7.7
182.10773	3.2
183.11699	15.7
184.12453	2.9
185.13271	17.5
187.11142	4.0
187.14812	27.2
189.12747	3.4
189.16391	19.3
191.14351	4.2
191.17966	2.6
195.11681	9.2
197.13286	13.9
199.11295	3.2
199.14838	31.0
200.15602	9.1
201.12776	7.6
201.16370	41.8
203.14317	7.2
203.17973	8.4
205.15897	7.8
209.13283	10.7
210.14046	3.4
211.14807	9.8
213.12802	3.6
213.16328	5.3
215.14354	7.8
215.17940	24.6
217.15897	8.8
221.13298	3.4
223.14783	7.2
225.16409	8.9
227.14330	11.3
227.18018	10.2
229.15878	4.5
229.19560	8.2
231.17433	7.2
235.14995	3.1
237.16426	8.0
239.14334	3.5
239.17961	7.9
241.15871	5.1
241.19557	9.2
243.21094	4.1
245.15338	9.4
247.14688	3.1
249.16386	4.4
251.17967	6.8
253.15897	4.4
253.19353	3.5
255.17456	5.7
255.21063	3.1
265.19510	4.7
267.17480	5.7
269.22446	3.1
277.19476	3.6
279.21259	3.1
285.18549	7.0
291.20926	4.1
293.19098	4.1
293.22375	6.1
295.24170	23.1
311.20279	3.3
311.23709	9.4
313.25208	21.8
317.20978	3.2
319.24139	7.1
321.25797	8.7
335.27393	5.3
337.25403	4.3
345.25775	6.1
363.26813	100.0
377.28384	6.9
381.27884	92.9
381.32748	5.7
382.28470	2.9
395.29395	9.7
413.30325	4.4
417.31476	7.7
435.32578	36.4
453.33688	36.4
471.34683	24.0
477.33542	4.2
479.35229	8.8
529.36743	23.2
547.37891	23.1
579.40540	5.7
601.41980	6.3
619.43091	7.0
637.44763	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	637.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.1
55.05507	15.8
57.07079	4.1
59.05000	5.1
67.01868	2.6
67.05502	24.3
69.03436	16.6
69.07077	13.0
69.42316	20.7
70.97870	2.6
71.04984	4.9
72.04153	2.1
72.50346	2.6
79.05495	40.8
81.03413	6.6
81.07062	37.2
83.04980	10.5
83.08592	5.3
85.20901	2.2
91.05486	32.5
93.06485	4.1
93.07045	63.5
93.07634	3.3
95.04949	9.2
95.07993	3.2
95.08607	56.7
97.06525	7.8
97.10178	2.5
103.05461	4.4
103.16497	2.3
105.07037	43.5
107.04953	7.2
107.07888	3.2
107.08597	63.7
109.06499	8.3
109.09457	4.7
109.10151	45.7
109.49747	2.2
111.08092	4.9
112.59871	2.4
117.07034	13.3
119.07810	4.2
119.08585	50.9
121.06538	5.9
121.10143	72.4
123.08043	10.7
123.11715	17.9
128.06187	5.4
129.07001	6.5
131.08553	29.0
133.06494	3.5
133.10130	41.0
135.08052	12.5
135.11693	25.0
137.09618	3.2
137.13229	10.4
139.07567	2.6
142.07790	6.6
143.08566	25.0
145.10129	41.2
147.08014	9.1
147.11694	24.8
148.11984	2.8
149.09671	11.3
149.13257	16.8
151.11176	7.7
155.08525	10.0
156.09283	4.2
157.10138	32.4
158.10890	3.0
159.08096	3.1
159.11703	46.6
161.09660	11.7
161.13246	20.3
163.11136	8.4
163.14818	6.5
167.08539	5.0
169.10149	11.3
171.07983	3.0
171.11676	22.9
173.09604	10.2
173.13260	21.9
175.11189	10.5
175.14822	16.8
177.12758	8.1
177.16336	3.6
179.14256	4.6
181.10147	6.0
183.11699	10.4
185.13254	24.1
187.11133	6.3
187.14841	24.3
189.12720	5.2
189.16397	14.3
191.14368	3.1
195.11792	8.4
197.13266	17.5
199.14836	30.7
200.15590	13.0
201.12773	7.3
201.16385	47.9
202.16014	8.6
203.14371	5.6
203.16208	5.3
203.17964	6.6
205.15919	8.4
209.13255	11.0
211.14803	10.7
213.16406	8.6
215.14384	6.1
215.17960	22.5
217.15887	13.2
219.17596	2.8
221.13333	3.3
223.14848	9.4
225.12726	4.8
225.16422	10.4
227.14362	12.4
227.17886	12.8
229.15811	5.5
229.19525	4.5
231.17303	5.8
235.14760	5.0
237.16402	8.4
239.17928	6.6
241.15846	6.8
241.19615	3.9
243.17525	3.6
243.20970	4.5
245.15372	7.3
249.16505	5.3
251.17867	8.6
253.15692	3.1
253.19531	6.8
255.17462	2.9
255.21196	5.2
257.22821	3.4
263.17923	3.1
267.17465	3.3
269.22659	3.2
277.19641	3.4
279.20807	3.4
285.18518	4.4
293.18896	4.0
293.22546	6.0
295.24179	27.4
300.13641	8.7
301.13867	6.6
311.23672	5.6
313.25217	19.6
319.24268	9.8
321.25665	10.9
323.23697	3.2
333.25967	3.1
335.27359	5.1
337.25134	6.3
345.25806	6.9
353.28412	3.0
361.25516	3.1
363.26810	100.0
364.27054	5.0
381.27905	83.2
382.28308	3.9
395.29428	10.9
413.30353	5.6
417.31638	5.1
435.32544	29.2
453.33691	37.6
454.33325	3.2
461.33853	4.0
471.34824	16.4
479.35129	12.5
529.36774	24.7
547.37811	25.4
548.38232	2.9
579.40466	5.6
619.43146	6.0
637.26324	11.2
637.44958	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	637.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01868	2.5
55.05516	4.9
57.03443	19.1
57.07078	27.0
61.02929	55.4
66.04550	0.8
67.05502	10.3
67.18990	0.7
69.03433	20.9
69.07075	6.3
69.47935	2.6
69.48373	3.4
71.01345	3.1
71.04991	2.5
71.08633	17.1
71.49268	0.7
72.54220	0.7
73.02921	18.9
75.04482	1.8
75.22358	0.8
79.05486	2.2
81.03419	19.6
81.06660	1.0
81.07069	12.0
83.01335	0.8
83.04986	1.8
83.08618	7.5
85.02906	62.6
85.10188	10.2
87.04459	2.4
91.03959	33.5
91.04537	1.6
91.05501	1.3
93.07042	1.6
95.04956	1.2
95.08612	17.2
95.09201	0.6
97.02895	53.8
97.10165	4.6
98.21568	1.8
99.04453	9.7
99.69648	0.8
101.02375	5.7
103.03947	8.2
103.07552	0.9
107.04945	0.8
109.02889	10.7
109.06555	1.5
109.10162	9.5
111.04437	1.9
111.11726	1.0
115.03966	4.6
117.05484	1.7
117.06950	0.9
119.08607	1.3
123.11717	2.9
127.03922	25.3
129.05473	4.6
137.05966	1.6
137.13245	2.6
141.05461	1.1
145.04964	12.5
147.64743	0.8
151.14764	0.8
155.06979	1.3
159.06554	4.1
163.05977	4.1
165.05476	1.2
171.06563	2.1
175.03883	1.1
183.06520	13.6
201.07564	9.6
202.44272	0.8
204.03687	1.1
206.23676	0.7
219.08734	1.1
221.22643	1.0
239.23712	17.7
257.24744	2.9
298.27328	1.0
313.27368	100.0
314.27637	2.2
331.28156	1.3
341.26749	3.9
344.97119	0.8
348.60239	0.8
355.28314	5.0
367.28397	1.2
377.92764	0.8
383.27853	1.8
397.29404	1.5
409.28934	1.0
421.29419	1.7
439.30508	3.6
457.31537	12.0
475.32901	1.4
515.21295	0.8
566.88391	0.9
637.26581	2.8
637.37958	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	637.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03734	0.3
66.49039	0.4
70.60604	0.3
70.83160	0.8
90.96864	0.4
93.16862	0.3
94.68890	0.3
107.06277	0.3
118.44950	0.3
165.39497	0.4
173.74750	0.5
176.57207	0.4
200.78094	0.3
205.32988	0.4
213.48145	0.5
373.14789	0.4
375.16742	0.7
377.17554	0.6
388.17725	0.6
389.18008	0.8
390.18814	0.7
391.19217	2.0
392.19833	1.1
399.16119	1.4
400.16815	1.3
401.17441	1.0
402.18744	0.9
403.19717	0.8
404.20474	1.4
405.20798	4.7
406.21655	4.3
412.17865	0.6
413.17468	1.7
414.18481	2.4
415.19168	4.2
416.20187	0.8
417.20822	1.4
419.17828	0.8
419.22345	1.6
420.23099	3.9
421.23816	8.2
422.24185	0.5
427.19254	1.4
428.20175	2.2
429.20856	9.9
430.21674	2.6
431.22498	1.3
432.23407	0.8
433.19934	1.6
433.24094	1.7
434.24609	0.9
441.21310	0.7
442.21909	1.8
443.22485	6.0
444.23508	3.9
445.19586	3.3
446.20651	0.8
447.17953	1.0
448.22202	0.7
455.18622	1.2
456.19357	1.4
457.24942	3.7
458.24872	6.7
459.21771	6.3
460.22562	4.5
461.19226	5.7
462.20099	0.9
470.20944	1.7
471.21579	1.4
472.22662	7.2
473.19128	1.3
473.23767	1.6
474.19852	0.9
475.20776	2.9
476.21887	6.6
477.26724	0.7
483.17798	0.5
484.18268	0.5
485.23541	11.8
486.20529	1.3
486.24124	3.1
487.21362	1.6
488.22006	3.9
489.22751	1.0
490.24097	0.5
491.24548	1.1
499.20947	1.1
500.22058	1.6
502.23495	0.7
503.24402	16.7
504.24786	1.1
505.22192	0.8
507.27515	0.5
513.23029	2.5
514.23535	1.4
517.26044	6.8
518.26660	0.4
519.23761	1.0
529.25916	1.6
531.23804	0.5
535.27039	20.1
536.27380	1.8
545.25476	68.9
546.25885	4.2
549.24316	0.7
563.26563	4.5
573.24896	16.7
574.25342	1.1
577.28204	1.1
578.28455	4.8
605.27588	75.7
606.27722	2.9
637.30200	100.0
638.30603	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	636.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01828	0.3
55.05489	0.5
57.03422	0.3
60.28998	0.2
61.02896	0.2
65.18911	0.2
67.05507	1.0
68.91563	0.2
68.99742	0.2
69.03375	1.2
69.07050	0.3
70.06554	0.5
70.83400	0.6
71.04956	0.5
75.16009	0.2
77.21255	0.2
79.05460	0.5
80.05769	0.2
81.03414	1.5
81.06995	0.8
83.04948	0.3
85.02911	1.2
87.00809	0.2
91.05428	0.7
93.06983	0.8
95.04903	0.6
95.08543	0.6
97.02832	0.8
99.04438	0.5
105.03334	0.9
105.06994	0.2
107.04942	0.3
107.08543	0.7
109.02884	1.0
109.06451	0.2
109.10101	0.8
111.08028	0.2
116.07074	0.5
119.08524	0.5
121.10077	0.6
121.70934	0.2
123.08092	0.4
123.11646	0.3
127.03929	1.5
131.08501	0.4
133.10085	0.6
135.11649	0.3
136.06104	0.7
137.05933	0.2
143.08424	0.2
145.10092	0.5
147.04372	0.5
147.11697	0.3
149.13257	0.3
159.11728	0.3
162.09100	0.3
165.09062	0.6
173.09503	0.3
174.05556	0.2
175.03769	0.4
175.14809	0.2
178.04948	0.3
207.06473	0.8
227.04085	0.2
229.14359	0.3
231.05106	0.3
240.04758	0.3
242.02757	0.3
242.08318	0.2
243.03510	2.0
251.11763	0.2
253.07224	0.6
254.02705	0.7
255.03561	0.4
258.05856	0.7
268.04288	0.8
269.05048	0.5
270.02161	0.5
270.07684	0.4
271.02985	7.5
272.03424	0.4
282.02173	0.4
283.02982	0.4
284.03784	0.6
285.04248	0.3
286.05328	2.9
298.01984	0.3
299.02460	10.0
300.03232	0.3
309.06232	0.6
310.01785	0.2
312.03238	0.7
313.03848	0.5
314.04813	34.7
315.05145	1.1
325.61652	0.2
327.01959	3.0
335.22122	0.4
335.25882	0.4
342.04315	17.3
343.04678	0.7
355.01517	1.4
359.00937	2.8
370.03799	100.0
371.04092	3.9
388.04855	93.9
389.05170	3.7
412.04572	0.4
421.25812	0.3
474.16803	0.4
550.10193	4.3
574.10669	0.4
592.11469	1.3
600.08093	0.3
600.33124	0.2
618.09094	1.3
636.10199	14.9
637.10291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.43
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97240	4.3
53.03948	5.3
55.05517	26.0
57.03431	4.0
59.04993	4.8
67.05502	33.7
69.03413	11.6
69.07065	20.8
71.04971	12.4
73.80154	4.2
79.05493	57.3
81.03415	10.3
81.07059	50.4
83.04989	34.3
83.08614	7.8
91.05480	49.3
93.07043	90.6
95.04965	45.8
95.08606	78.2
97.06547	8.8
97.10133	5.6
98.23497	4.7
105.07040	64.5
107.04954	7.7
107.08603	84.9
109.06520	22.2
109.10155	52.9
117.07010	13.4
119.08574	80.3
121.06503	12.6
121.10139	100.0
123.08054	11.1
123.11723	24.0
125.05989	13.5
127.07430	4.1
128.06264	5.8
129.06992	14.0
131.08546	47.5
133.06444	4.1
133.10133	60.7
135.08049	16.4
135.11705	44.1
137.09648	5.9
137.13211	15.5
139.07503	12.5
141.62900	4.1
142.07750	8.6
143.08534	37.2
145.10120	61.2
147.08067	6.8
147.11702	40.2
149.09613	15.0
149.13258	12.0
151.11276	6.6
155.08504	19.9
156.09323	5.1
157.10143	38.4
159.07979	6.5
159.11678	59.9
161.09618	13.7
161.13268	23.8
163.11134	7.3
163.14874	10.0
165.11127	4.2
167.08589	5.2
168.09389	5.5
169.10129	16.3
170.10803	6.5
171.11647	32.5
173.09624	10.2
173.13293	32.2
175.11195	7.8
175.14815	22.1
177.12735	10.4
177.16490	5.5
179.08592	5.5
181.10132	12.4
182.10921	5.0
183.11732	19.8
185.13258	25.0
187.14778	25.9
189.16360	24.0
193.10121	4.6
195.11708	14.4
196.12604	4.0
197.13364	22.0
198.51085	4.5
199.11151	6.7
199.14870	28.0
200.15617	9.8
201.12717	14.0
201.16422	50.5
203.14240	10.3
203.17975	7.7
205.15891	6.8
209.13307	13.0
211.14796	12.1
213.12730	11.0
213.16397	9.2
215.14328	7.6
215.17934	25.5
217.15955	6.5
221.13202	8.0
223.14778	8.1
225.16399	11.1
227.14244	12.7
227.17947	16.3
229.15932	5.1
229.19424	8.3
231.13811	10.4
235.14912	5.9
237.16249	9.0
239.14314	6.3
239.17886	7.6
241.19530	7.6
245.15385	6.6
247.14745	5.2
249.16528	4.6
251.17957	6.7
253.15839	4.8
253.19307	5.6
265.19550	7.9
269.19135	4.4
279.17673	4.6
293.22626	12.3
295.24149	20.8
311.23541	7.5
313.07822	4.8
313.25204	15.7
319.24127	13.4
321.25705	8.9
333.25607	4.6
341.21240	4.0
351.27017	6.4
353.28476	4.1
363.26825	39.6
375.26874	7.7
381.27917	30.0
387.35284	4.5
393.27747	12.1
415.29803	11.0
421.31638	4.7
433.31207	43.1
451.31998	51.0
469.33224	26.6
547.37659	8.8
617.41772	11.0
635.42334	12.3
651.40259	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	635.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
54.64954	2.7
55.01865	3.9
55.05275	3.3
55.05513	19.3
57.07071	6.6
59.05020	3.1
62.21856	2.6
65.03929	4.6
67.05500	31.2
69.03432	16.8
69.07070	20.6
69.42891	15.5
70.22408	2.4
71.04980	9.9
72.22616	2.2
75.65689	2.5
79.05492	60.1
81.03414	10.2
81.07059	48.7
83.04987	40.6
83.08639	5.8
85.06524	3.1
91.05480	44.1
93.07048	80.8
95.04975	40.0
95.08610	71.2
96.73966	2.5
97.06526	14.5
97.10111	3.0
99.04470	6.6
105.07033	65.6
105.07699	5.1
107.04962	10.0
107.08595	88.8
109.06526	18.9
109.10156	57.4
111.04473	3.7
111.08091	5.4
111.11725	4.5
115.05467	4.5
117.07049	15.2
119.07724	2.7
119.08585	78.5
121.06528	14.1
121.10146	100.0
123.08059	13.1
123.11707	23.6
125.05988	9.7
127.07499	4.3
128.06229	8.1
129.07028	14.9
130.07819	4.7
131.08566	45.1
133.06483	6.3
133.10141	62.1
135.08064	16.0
135.11676	34.7
137.05931	2.6
137.09607	6.2
137.13295	15.8
139.07523	11.0
141.06950	5.4
142.07751	7.9
143.06973	2.6
143.08574	37.7
144.09331	5.1
145.10130	57.9
145.29924	2.5
147.08086	6.2
147.11681	33.5
149.09630	16.7
149.13243	18.7
151.07539	3.0
151.11188	5.2
155.08546	16.3
156.09354	8.4
157.10129	36.5
158.10901	3.1
159.08055	4.7
159.11688	47.9
161.09607	17.6
161.13234	27.5
163.11157	14.5
163.14806	7.5
165.12793	3.3
167.08539	4.3
168.09354	3.5
169.10123	16.6
170.10808	3.6
171.08047	3.8
171.11703	27.8
173.09601	15.9
173.13243	27.5
175.09856	3.4
175.11172	18.1
175.14844	20.7
177.12773	7.9
177.16423	6.6
179.08543	3.7
179.14297	4.8
180.09326	3.0
181.10107	6.3
182.10875	6.2
183.11710	22.9
185.09654	4.5
185.13260	32.1
187.11221	6.0
187.14842	30.5
189.09116	3.2
189.12737	8.3
189.16383	22.1
191.10596	4.4
193.10161	4.6
195.11737	19.8
197.13278	21.9
198.14030	3.3
199.10999	3.6
199.14836	32.0
200.15654	15.2
201.12776	12.7
201.16393	60.8
203.14276	9.4
203.17938	5.6
205.15904	8.1
206.10806	3.0
207.11766	5.1
209.13303	13.7
211.14868	13.2
213.12770	9.1
213.16385	12.9
215.14349	10.2
215.17935	32.3
217.15881	14.8
219.17648	3.0
221.13266	5.4
223.14874	9.7
225.16405	11.0
227.14302	12.4
227.17966	10.7
229.15913	6.3
229.19514	9.0
231.13812	6.8
231.17436	5.8
231.21146	3.7
235.14818	7.1
237.16418	7.2
239.14297	5.3
239.17960	11.3
241.15749	4.0
241.19525	7.1
245.15399	11.5
249.16513	5.4
251.17929	7.3
253.15970	3.2
253.19543	12.4
255.17305	3.4
255.21169	5.6
257.15430	3.9
257.19055	3.3
263.18066	5.8
265.19598	3.6
267.17529	5.9
267.21118	5.0
269.22574	3.4
275.17984	3.0
277.19559	3.2
279.17438	4.1
281.19006	3.3
293.22675	7.5
293.38202	2.7
295.24164	24.3
297.18588	4.4
307.24420	2.7
311.20343	4.2
311.23679	12.8
313.25259	24.4
319.24207	9.1
321.25793	8.2
323.23624	3.1
325.25540	3.3
327.26929	4.0
333.25745	7.9
335.27225	4.0
337.25293	11.4
341.04892	2.9
345.25848	6.4
353.28452	4.6
355.22556	4.0
363.22644	4.8
363.26834	54.8
365.28647	3.2
375.26477	4.7
377.28448	5.1
381.27921	39.7
391.30017	3.6
393.27893	14.5
395.29504	3.0
405.31995	2.9
411.29303	4.2
415.29849	12.4
433.31119	45.5
451.32037	57.9
469.33099	24.0
479.35031	9.2
529.37201	3.3
547.37457	7.2
617.41663	5.3
635.42615	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	635.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	0.5
64.87608	0.5
65.03857	0.6
67.05408	2.1
71.53612	1.0
79.05410	0.6
81.06954	0.6
85.06449	0.7
91.05346	0.6
93.06956	0.5
94.06439	2.8
95.08504	0.4
98.26429	0.4
105.06952	0.7
106.03789	0.6
107.08492	0.5
113.28531	0.4
118.06438	0.7
138.05342	1.7
142.11432	0.4
144.04378	0.6
147.04340	0.6
172.03781	1.7
173.02264	0.5
174.70979	0.5
175.03792	1.9
187.03764	0.7
194.08099	1.8
195.09242	0.6
196.09903	0.5
197.10568	0.7
200.10617	0.6
201.01756	0.8
203.03387	4.8
204.06459	1.5
206.08353	0.7
207.09109	0.6
208.09846	1.6
209.10631	1.7
210.11359	0.8
211.08624	0.5
211.12265	0.6
219.09055	1.1
220.09912	1.2
221.10767	3.4
222.11476	1.0
223.08554	1.7
223.12334	2.2
224.12782	0.6
225.10074	1.2
233.10764	2.3
234.07730	0.6
234.11368	1.6
235.08598	2.4
235.12206	1.5
236.09212	1.5
236.13040	0.5
237.10262	3.4
239.08319	0.5
239.11641	1.1
241.08440	0.6
247.09555	1.6
249.10211	5.2
250.10803	1.3
251.08078	0.9
251.11823	2.6
261.10150	1.0
263.07990	1.5
263.11737	0.7
265.09714	0.9
269.07925	2.0
275.07959	0.6
277.09622	3.6
278.10361	0.5
279.11124	1.5
284.11987	0.5
287.09085	1.9
297.12625	0.6
305.09473	0.8
308.11740	0.7
309.12350	0.7
310.13220	1.2
311.13855	1.1
322.13437	0.7
323.10416	0.5
323.45505	0.5
324.10965	0.6
326.12817	0.8
331.15305	0.5
336.11252	0.7
337.11761	2.6
338.12595	1.6
340.14566	0.9
352.10706	0.7
352.14542	1.1
354.12122	0.8
364.10443	0.7
366.12378	0.7
375.15817	0.7
380.13742	0.8
382.11337	0.5
382.15741	0.6
387.15945	1.3
388.17270	0.7
389.17789	1.0
394.11475	0.7
399.16061	0.6
400.13062	0.8
401.13297	0.9
401.17645	1.6
402.14575	1.4
403.14862	0.9
408.13153	0.7
413.13892	0.7
414.14740	1.1
415.15533	2.5
416.16437	2.1
417.16837	3.0
427.15268	1.0
428.16599	1.0
429.17395	3.3
430.17688	1.9
431.19147	2.8
432.19586	1.1
433.20068	0.8
440.16187	0.8
441.17108	1.3
442.18262	0.8
443.18655	1.9
444.19968	0.9
445.15915	2.0
445.20462	2.5
453.16956	0.6
455.18936	0.7
456.09229	0.5
457.16580	1.7
458.17178	2.3
459.17737	0.8
459.22702	0.7
460.18915	0.8
461.19736	1.5
468.15347	1.1
471.18869	0.6
472.18802	1.6
473.20029	6.3
474.20621	0.8
475.21112	0.5
485.16074	0.7
487.21414	1.6
489.19189	2.0
501.19232	13.4
502.19531	0.6
504.21530	1.0
515.20795	2.1
516.20691	0.6
517.18817	0.9
518.20081	0.5
519.23962	1.3
529.18744	2.9
531.19989	0.7
532.20947	0.7
533.21753	1.6
543.20276	1.9
546.17993	0.6
547.23584	3.8
548.20618	1.9
561.21533	3.4
571.19495	1.0
575.22882	100.0
576.23273	5.7
603.22406	11.2
607.25397	0.6
635.25006	44.0
636.25653	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	635.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.3
57.07068	5.1
57.91957	1.7
61.11277	1.4
65.03947	4.8
66.55611	1.2
67.05185	1.7
67.05513	24.2
69.07066	4.1
70.06574	2.1
79.05502	3.8
81.03432	2.0
81.07061	1.4
85.06547	17.5
86.32742	1.2
89.03955	1.3
91.05491	8.2
93.07042	3.7
94.06583	3.4
95.08591	3.3
105.07034	3.4
107.08583	3.4
109.10141	2.7
115.05458	2.3
117.07089	2.3
119.04933	2.2
119.08572	1.9
121.06524	1.3
121.10184	3.2
130.89392	1.6
131.04915	8.9
133.10124	1.8
142.07748	1.5
145.02841	4.2
147.04407	18.3
147.11688	1.7
155.08560	1.7
157.02878	3.4
158.06050	1.7
158.95253	1.4
159.04428	6.5
163.03960	3.3
171.04393	3.5
173.02406	11.3
173.05891	1.6
175.03912	73.2
176.04305	4.3
177.05452	5.8
183.08003	2.2
185.02281	2.0
187.03894	19.6
187.07623	2.0
189.05461	7.2
198.09074	1.6
199.03860	7.4
199.07613	3.0
201.01852	12.0
201.05492	4.7
202.02475	3.0
203.03394	100.0
204.03790	4.0
209.10802	2.0
211.07495	1.5
213.05466	3.0
217.08591	1.6
226.06281	4.8
227.06973	7.2
229.08559	19.0
231.10110	5.2
237.10202	1.9
241.08609	17.9
243.06511	2.4
243.10185	16.8
244.10460	2.1
245.08185	3.0
247.09697	38.8
248.09947	2.8
249.10184	3.7
255.10136	2.4
259.09656	4.3
269.08072	31.5
287.09116	26.4
295.13300	6.2
313.14297	18.8
331.15421	24.9
333.20480	2.0
337.11957	1.6
358.92041	1.4
361.08136	1.4
375.15503	1.5
411.16037	1.4
415.15451	2.2
416.16721	1.8
429.16949	3.3
431.18848	2.6
461.19684	2.0
473.19632	4.8
474.20468	2.0
501.19131	7.4
543.20258	1.9
575.22864	59.0
576.23340	4.3
603.21796	5.4
635.24713	36.5
635.37329	10.2
636.24933	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	634.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.1
55.66708	1.4
57.07078	3.6
59.05017	2.0
63.42339	1.3
65.03941	5.1
67.05508	24.9
67.90004	1.4
69.07065	6.2
70.04929	7.8
70.06594	1.9
71.04982	2.4
79.05493	2.4
79.77383	1.5
81.07071	3.0
85.06546	16.2
89.03972	1.9
91.05481	4.9
95.04971	1.8
95.08616	3.7
98.20853	2.2
99.05592	3.9
105.07015	2.0
107.08586	3.5
109.10178	2.5
111.11744	1.7
116.20573	1.4
116.49113	1.7
119.08598	2.0
121.10171	3.2
128.06267	2.3
128.30034	1.4
130.04996	1.8
131.04932	8.8
143.08594	3.2
145.02852	5.1
145.06166	4.6
147.04411	14.6
157.02884	4.4
159.04431	10.2
163.03900	4.3
171.04395	2.7
171.08214	1.9
173.02373	17.9
173.06033	2.6
174.09096	1.6
175.03917	100.0
176.04396	1.7
177.05504	6.9
185.02342	2.0
185.09633	1.9
187.03909	33.9
187.07510	3.4
189.05463	5.7
198.06767	1.6
199.03943	11.2
199.07500	6.7
201.01820	17.8
201.05496	4.4
203.03387	69.3
203.07069	2.6
211.07593	1.8
213.05568	5.3
217.08652	2.3
226.06281	13.0
227.07040	10.5
228.07899	2.6
229.08623	32.2
229.10684	2.8
231.10165	8.6
241.08591	41.4
243.06503	2.1
243.10170	26.9
245.08078	2.4
247.09673	65.1
253.08696	2.2
255.10165	10.6
259.09793	3.5
269.08090	40.4
287.09161	18.4
295.13254	17.1
313.14377	58.1
331.15475	40.8
333.15109	1.9
408.18750	2.2
510.71860	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	5.3
55.57422	1.0
57.07071	2.4
57.92559	0.8
64.84606	0.8
65.03938	4.0
67.05178	1.3
67.05508	17.2
67.44439	0.8
69.07057	5.6
70.01678	1.6
70.02075	2.4
70.09312	0.8
71.04973	1.8
79.05484	2.0
81.07077	1.1
83.04934	1.3
85.06535	10.3
88.96091	0.9
91.05476	3.8
93.07076	1.1
95.08627	1.1
98.20801	1.8
105.07029	1.3
109.10139	1.4
109.23188	0.9
117.03385	1.4
119.04911	1.7
119.08613	1.2
121.10142	2.2
127.92053	0.8
128.06203	1.0
129.03322	1.2
131.04887	5.9
133.06459	0.9
145.02850	3.9
145.06425	0.9
147.04414	11.4
157.02869	3.3
157.10130	1.0
159.04436	7.0
161.05943	1.1
163.03911	5.3
167.08563	1.0
171.04349	1.9
171.08095	1.2
173.02356	15.1
173.05983	1.6
175.03911	100.0
176.04337	2.2
177.05461	8.4
187.03893	25.5
187.07550	1.9
189.05484	8.6
191.03317	1.3
198.06818	1.2
199.03899	11.1
199.07556	3.8
201.01840	15.8
201.05461	5.2
203.03392	26.8
203.07031	3.7
204.03615	1.1
211.07616	1.2
212.04781	1.2
213.05508	5.7
213.09062	2.5
215.07033	3.3
217.04893	1.2
217.08644	3.1
223.07573	1.3
226.06261	10.3
227.06975	6.8
228.07866	3.0
229.08612	23.5
231.10152	6.7
239.06827	1.0
241.08601	32.5
242.08791	1.6
243.10170	21.5
245.08121	3.7
247.09668	55.4
248.10077	2.2
253.08636	2.0
255.10226	4.3
259.09573	6.7
269.08087	28.8
287.09174	2.4
295.13315	9.5
313.14340	34.6
331.15421	27.9
664.11133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.5
57.07078	3.7
65.03946	4.3
67.05506	27.6
69.07079	2.9
69.32205	1.2
70.08539	6.1
70.68885	1.3
71.05001	1.7
73.89179	1.3
76.92495	1.3
78.70458	1.3
79.05486	1.7
79.31996	1.3
83.04997	1.4
83.08583	1.8
85.06548	19.3
91.05490	4.6
98.21455	2.0
109.10184	1.6
111.53809	1.2
119.04935	3.2
131.04941	7.7
140.12117	1.4
140.60976	1.4
145.02864	3.6
147.04396	16.4
148.51062	1.4
155.08514	1.8
157.02856	3.0
159.04446	5.6
163.03867	3.0
171.04436	1.7
173.02348	11.1
173.06087	1.5
175.03903	79.4
176.04341	2.1
177.05528	4.2
187.03893	22.0
189.00444	1.5
189.05470	5.9
197.05894	1.4
198.06709	1.6
199.03993	7.0
199.07594	2.8
201.01849	9.2
201.05458	2.9
202.02701	2.1
203.03394	100.0
213.05522	3.4
217.04974	2.7
217.08531	2.0
226.06357	7.4
227.06918	3.7
228.07675	2.1
229.08626	19.1
231.10236	3.7
241.08585	25.6
243.10147	23.5
245.08060	1.8
247.09665	51.4
251.20309	1.4
255.10176	5.1
259.09665	5.3
269.08072	19.4
287.09164	19.4
295.13400	8.9
313.14331	27.2
331.15405	16.3
391.60980	1.3
411.28894	1.3
525.58020	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46659	2.0
55.05516	3.4
57.04332	1.6
57.07069	3.6
65.03923	5.1
66.84029	1.6
67.05496	26.1
69.03450	1.7
69.07064	2.8
69.70563	12.0
70.06588	2.6
71.04989	2.1
81.07022	2.1
81.11024	1.5
85.06540	18.1
91.05466	4.5
95.04979	1.6
95.08575	3.0
98.21507	2.1
109.10108	2.2
131.04922	6.3
145.02878	2.8
147.04431	12.4
157.02876	3.2
159.04405	7.2
163.03827	3.4
173.02344	11.5
175.03909	86.0
177.05432	5.9
187.03920	25.5
187.07489	3.0
189.05479	7.0
198.06726	2.1
199.03896	8.4
199.07582	3.9
201.01840	12.7
201.05540	3.0
202.02583	2.3
203.03394	100.0
213.05487	3.2
217.08533	2.1
226.06274	5.1
227.07050	5.2
228.07675	3.3
229.08569	26.6
231.10161	4.5
237.57210	2.0
241.08577	23.0
243.10181	17.4
247.09660	52.5
255.10144	6.0
259.09625	3.9
269.08087	18.2
287.09079	29.0
288.09732	2.3
295.13263	10.9
313.14304	30.4
331.15436	20.4
393.79544	2.0
536.51715	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	633.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.6
55.01860	4.4
55.05281	1.3
55.05513	17.3
57.03423	6.5
57.07071	3.2
59.04981	4.5
64.96956	1.4
65.03931	5.3
67.05505	100.0
67.42191	1.4
68.44873	1.5
69.03429	42.2
69.07070	14.1
71.01339	2.2
71.04977	6.5
71.53052	1.3
71.53444	1.7
77.03930	1.8
79.05492	32.2
81.03412	26.6
81.07055	52.9
83.04970	11.0
83.08617	10.5
83.54855	1.4
85.02893	5.1
85.06525	5.6
91.04983	2.3
91.05482	31.6
93.06490	2.6
93.07040	38.4
95.04966	12.2
95.08611	32.3
97.02866	5.6
97.06536	3.6
97.10150	7.2
99.04425	4.0
99.08063	1.8
105.07024	27.2
107.04950	4.5
107.08585	20.5
109.02852	4.4
109.06532	7.7
109.10153	59.7
111.04406	6.3
111.08060	4.3
115.05430	2.5
117.07027	11.8
119.08582	25.8
121.06522	3.6
121.10147	16.4
123.08044	5.6
123.11664	3.7
125.05935	1.5
125.09609	5.9
127.03879	3.1
128.06259	1.9
129.06976	9.8
131.08537	17.4
133.06503	3.6
133.10136	15.5
135.08032	3.0
135.11710	7.7
137.05904	1.4
137.09602	6.5
141.06964	2.9
142.07773	2.8
143.08578	10.2
145.06410	4.2
145.10132	18.5
147.08011	4.2
147.11705	10.3
149.09613	4.0
149.13248	4.0
151.07521	1.8
155.08545	4.6
155.10626	1.7
157.10110	6.3
159.08006	2.8
159.11693	10.6
161.09624	3.5
161.13277	5.7
163.11182	4.2
166.07712	1.6
167.08601	2.3
169.10170	3.8
171.11703	6.4
173.09583	3.0
173.10338	1.7
173.11725	17.5
173.13243	5.9
175.11156	4.1
175.14850	3.9
181.10089	2.1
183.11700	3.0
185.09683	1.4
185.13237	5.2
187.11243	2.0
187.14787	3.7
189.11165	3.7
189.12764	2.5
191.10645	2.4
197.13245	5.1
199.11058	2.0
199.14886	3.8
201.12694	1.7
203.14294	1.7
209.13243	2.0
209.15172	1.3
213.12672	2.2
215.14236	1.7
217.15959	1.5
223.14952	1.7
227.12814	1.6
229.14326	17.1
233.50929	1.5
237.16350	2.0
241.19585	1.6
245.13715	1.5
259.20425	2.2
275.19974	1.8
277.21500	3.2
287.19809	2.1
289.21548	2.1
291.23160	1.9
299.14822	3.2
301.21677	8.1
301.96265	1.5
313.21429	1.7
314.74225	1.8
319.22693	3.2
327.23196	3.2
341.24844	1.8
345.24310	2.5
351.23257	5.5
355.17377	2.5
369.24213	11.0
387.25543	7.0
405.26398	2.1
443.27896	2.6
461.28946	6.2
489.35831	2.4
597.37531	5.3
615.39105	10.3
633.39838	49.7
633.48505	2.0
634.39960	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	633.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
54.85680	1.1
55.05497	2.2
57.07075	1.2
60.04522	1.2
65.13613	1.0
67.05511	5.9
68.92001	1.0
69.03429	7.9
69.07059	3.6
69.20325	3.9
69.20744	8.2
70.06606	5.8
71.04981	1.8
72.08170	1.3
77.22099	1.5
79.05491	5.7
81.03439	6.6
81.07060	5.7
82.72916	1.0
83.04978	3.9
83.08626	2.0
84.08118	1.5
85.02906	11.6
86.09704	1.9
91.05492	6.1
93.07043	5.0
95.04954	6.6
95.08597	6.2
97.02892	6.2
97.06524	3.2
98.20763	2.1
99.04453	2.3
105.03389	1.6
105.07047	6.4
106.06519	1.6
107.04992	1.2
107.07307	6.5
107.08588	5.1
108.08105	2.9
109.02882	5.2
109.06514	3.1
109.10136	4.6
111.04465	1.1
117.07058	1.6
119.08556	5.6
120.04480	1.9
120.08085	1.4
121.02886	1.1
121.06503	2.2
121.10141	4.8
122.09669	9.6
123.04430	1.3
123.11750	1.6
124.89527	1.1
125.09660	1.1
127.03956	9.0
127.10115	1.1
129.06975	1.5
131.08586	3.2
133.06494	1.2
133.10120	4.4
135.11702	2.7
136.06183	1.2
137.05989	3.7
143.08530	3.1
145.04953	1.8
145.06479	1.6
145.10150	3.4
146.06007	1.5
147.04361	2.4
147.08029	2.2
147.11620	2.9
149.13260	2.5
150.09155	45.0
155.08569	1.6
157.10144	1.5
159.02831	1.6
159.08073	1.8
159.11656	1.6
163.11151	2.7
165.09132	1.9
167.07034	1.3
169.10062	1.9
171.11671	1.8
173.09644	1.8
175.03973	1.5
176.10683	1.7
180.00687	1.3
185.09610	2.0
196.48059	1.0
199.14816	1.5
201.05348	1.4
207.06538	2.3
211.12184	1.4
225.10226	4.4
226.10988	2.5
235.08580	5.3
236.09412	2.7
237.10234	17.2
238.10965	4.6
239.11809	7.6
240.08894	1.2
249.10249	5.2
250.11108	5.9
251.11801	29.6
252.12631	16.0
253.09914	5.7
253.13271	4.0
255.11336	2.7
259.09491	2.4
261.10193	1.4
263.08292	1.3
263.11765	3.4
264.08932	1.6
265.09787	11.3
265.12610	1.9
266.10468	1.9
267.11270	12.7
268.12061	2.0
269.12820	3.2
278.10593	1.3
279.11267	16.3
280.12067	11.7
281.12805	2.4
282.09927	4.0
285.12375	3.0
294.09991	5.4
294.13428	1.7
295.10947	2.6
295.14404	8.7
296.11551	1.4
297.09082	1.6
297.12341	16.9
299.13937	1.7
301.15518	2.8
307.10919	1.5
309.08997	1.8
309.12338	5.0
311.13815	6.6
312.11044	3.0
312.14648	1.8
313.11798	11.0
313.15192	2.0
314.04327	2.4
324.10919	3.9
325.11838	33.8
327.13422	14.7
328.14365	1.4
329.06528	9.4
330.12506	1.4
339.13409	92.8
340.13947	8.0
341.14911	1.4
344.13965	1.8
356.17551	1.8
358.15668	2.7
359.16367	1.2
367.11938	2.8
372.17062	3.3
373.14066	1.1
384.17239	2.6
385.12744	9.4
387.15918	2.6
400.16428	3.3
402.18323	2.3
404.19717	2.3
418.17545	1.8
428.16016	5.4
434.21252	1.9
446.17114	42.3
450.23975	2.5
453.33755	2.3
462.20337	9.8
464.18457	2.0
471.34702	3.7
473.92654	1.2
476.21860	100.0
477.22574	72.1
478.22800	2.7
494.22919	20.9
555.25922	1.4
565.24268	6.0
583.25586	34.7
584.25464	1.7
601.26178	4.4
633.29871	1.9
633.39825	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	632.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
53.38890	1.5
55.05488	2.4
59.94224	1.9
65.03928	3.1
67.05480	6.5
69.07076	10.0
69.51263	11.6
79.05494	2.8
80.49348	1.7
80.86095	1.8
81.03421	2.0
81.07046	4.0
83.02747	1.8
91.05473	5.6
92.04974	5.3
93.03920	1.7
93.06993	2.8
95.08579	3.4
104.04952	2.1
105.03379	17.5
105.07017	4.9
106.06538	2.2
107.08602	3.6
109.10152	5.2
117.05744	4.0
120.04462	37.7
124.18069	2.0
128.06201	2.5
130.06535	11.8
131.04886	2.1
132.04471	14.7
137.05896	2.5
141.06990	2.5
143.07367	2.0
143.08530	3.4
144.08049	5.9
145.06438	3.4
146.05984	18.2
147.06352	2.4
154.06462	2.5
156.08052	1.9
158.04794	3.4
158.06013	40.2
158.07162	2.5
158.09628	3.0
159.06479	2.0
167.07343	8.4
168.08203	3.7
169.06516	3.9
170.09648	4.3
171.08022	4.8
172.07565	5.1
172.11203	5.6
174.09137	8.2
180.08037	4.0
181.08809	4.3
182.05954	3.4
182.09662	34.8
183.06760	6.6
183.09995	4.5
184.07558	12.1
184.11127	3.1
185.08215	3.0
186.05339	2.2
186.09160	8.9
194.09607	5.7
195.10378	3.7
196.07591	15.8
196.11134	6.0
197.08301	9.7
198.09132	26.0
199.07565	2.4
199.09552	2.2
200.10699	74.3
201.11040	8.4
202.08614	4.0
206.09677	3.2
208.07478	3.4
208.11174	5.3
210.09158	9.7
211.09875	13.0
212.10507	4.9
212.14348	4.3
217.08669	2.4
220.07610	2.3
220.11154	3.8
221.12038	2.7
221.15182	1.8
222.09119	2.8
222.12727	4.9
224.10732	7.8
226.12207	6.5
228.23398	2.3
234.09193	3.2
234.12790	4.1
236.14253	9.3
238.12228	7.2
238.15891	6.1
239.12935	2.7
239.16414	1.8
243.10179	2.2
244.09769	6.4
246.12636	2.0
248.14369	4.2
250.08673	4.5
250.12152	1.9
254.15410	100.0
255.15712	13.0
256.16870	2.8
258.09265	2.0
260.14374	2.1
261.10226	7.9
264.10510	2.3
264.13885	2.3
264.17545	5.1
266.15347	12.6
267.15652	2.0
270.08932	2.9
271.08768	2.7
276.17493	1.8
277.10007	3.7
280.16928	2.2
286.15646	2.0
288.17368	5.8
289.09705	81.3
290.10141	8.9
292.16873	4.9
295.10733	4.1
296.10727	3.1
298.11884	2.9
299.12006	3.8
302.18863	9.0
303.19409	2.3
305.10950	2.2
306.11557	2.1
306.18365	3.9
307.10611	3.4
313.13071	3.1
315.12079	3.0
320.20044	6.1
323.12146	2.3
325.13434	10.6
326.11530	2.9
327.11444	5.9
331.10663	2.0
333.12433	9.6
335.11975	2.6
341.12958	5.3
343.14374	2.4
345.12714	2.7
349.11954	14.2
353.13388	2.4
359.14029	9.0
361.15610	3.5
371.14108	9.0
373.15329	1.9
381.19641	31.0
382.19867	8.7
389.14828	2.4
399.20538	5.4
419.21420	2.2
425.22055	4.9
437.22186	2.6
451.24030	8.2
453.25351	2.2
463.23691	5.2
464.23923	3.3
465.25473	2.1
468.17542	2.4
481.24780	7.8
482.26172	3.1
483.26590	17.8
486.18240	6.2
499.25943	3.2
504.18811	5.8
578.28400	4.7
596.29193	27.7
614.30103	10.8
632.17218	3.4
632.34497	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	631.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.1
60.19468	2.1
64.08047	2.2
67.05502	6.3
69.07066	8.5
70.98401	4.7
73.95454	2.6
81.07030	3.5
82.50355	2.0
83.04960	2.6
83.08604	3.1
91.05479	4.1
92.04995	7.7
93.07024	4.4
105.03393	9.4
105.07018	3.3
109.10163	5.6
117.05715	2.5
117.07021	3.0
118.06557	3.6
119.08595	4.0
120.04472	34.8
121.10146	2.8
121.72497	1.9
123.11740	2.0
128.06235	3.4
129.07100	5.0
130.06520	15.7
131.04918	3.8
131.08554	3.6
132.04445	21.1
133.10152	2.2
136.84160	1.9
141.07053	2.2
143.08569	3.2
144.08130	5.8
145.06494	4.8
146.06013	19.2
146.09746	2.7
155.08540	3.5
157.06488	3.6
158.06017	46.9
158.09633	5.4
159.06741	3.1
160.07590	3.8
167.07332	9.9
168.08119	7.0
169.06485	3.1
170.06027	4.3
170.09677	3.0
171.08018	4.2
172.07565	5.2
172.11206	6.2
174.09117	20.1
179.08600	3.6
180.08055	6.8
181.08888	4.8
182.05986	3.7
182.09647	33.4
183.06770	8.3
183.08165	3.7
184.07556	14.4
184.11223	3.4
186.05518	2.5
186.09125	9.4
187.07484	2.3
193.08694	3.4
194.09694	6.6
195.08087	2.9
195.10513	3.3
196.07538	17.7
196.11298	5.2
197.08208	9.9
197.09909	3.8
198.09140	18.8
198.12776	3.3
200.07103	4.0
200.10709	100.0
206.09651	3.2
208.07477	2.2
208.11223	6.2
210.09111	12.6
211.09897	9.0
212.10701	5.2
217.08728	6.0
220.11159	3.8
221.12015	3.3
222.12874	4.4
224.10686	7.6
226.12244	12.7
232.11186	3.3
234.09203	3.9
234.12805	5.8
236.14302	9.1
238.12184	5.4
238.15971	6.8
239.13025	2.6
243.10205	3.9
246.12790	3.6
249.15294	2.3
250.16054	2.9
254.15398	89.1
258.09012	4.0
261.10217	8.0
264.17361	4.3
266.15533	11.0
271.08682	6.5
276.10318	6.5
286.15845	2.9
288.10196	2.8
288.17377	4.8
289.09702	71.1
292.17010	3.8
294.11475	3.6
299.11899	3.8
302.19000	7.8
306.11328	5.1
306.18466	2.6
310.10910	2.6
313.13458	2.8
314.11728	2.7
320.20035	8.6
322.12247	4.0
323.11823	4.7
324.13809	3.0
325.13403	12.0
327.11316	2.9
332.12833	10.5
334.12119	4.6
340.13254	5.1
342.14566	3.3
348.12265	17.1
352.13290	8.5
353.13098	3.1
358.14288	5.1
381.19556	32.1
399.20926	7.0
425.22205	4.5
444.23355	3.3
449.16183	2.2
450.24176	9.4
452.25839	4.2
462.24365	9.3
463.24268	3.7
464.25647	4.3
467.17499	6.2
480.25058	5.2
481.26199	2.5
482.26898	16.6
485.18631	4.5
503.19849	2.5
577.28058	6.5
595.29376	16.1
613.30670	12.1
631.33600	9.3
656.80115	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	631.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.9
67.05490	7.1
69.03413	2.6
69.07073	8.8
70.06571	3.4
70.65711	4.4
70.66044	3.3
71.48694	1.8
79.05454	3.0
79.89223	1.7
81.07025	5.5
83.04958	2.0
83.08611	3.0
86.83530	1.7
91.05468	4.5
92.04997	6.2
93.07018	3.2
95.04948	4.3
95.08574	1.5
103.05495	2.1
103.40299	1.6
104.04925	1.8
105.03391	12.8
105.07007	4.8
109.10140	6.3
117.07014	2.2
118.06527	3.3
119.08592	2.5
120.03629	3.4
120.04469	44.6
121.10143	2.8
129.06987	5.3
130.06525	18.1
131.04935	2.5
131.08519	2.3
132.04451	19.5
133.10097	2.0
137.06076	1.6
143.08572	3.3
144.08104	6.1
145.06490	8.2
145.10139	2.7
146.05991	19.0
146.41689	1.8
156.08081	2.5
157.06520	3.1
157.08823	2.2
158.06010	44.7
158.09616	2.9
160.07504	2.1
163.07555	2.1
165.06995	2.1
167.07300	8.3
168.08070	5.5
169.06480	2.6
169.10268	2.2
170.06018	4.3
170.09624	5.1
171.08046	6.0
172.07576	5.5
172.11183	5.5
174.09175	12.2
179.08603	4.0
180.08102	7.1
181.08784	3.4
182.09659	37.1
183.06799	7.7
183.08211	4.6
184.07541	13.3
184.11174	4.3
185.08237	2.5
186.09111	9.3
187.07562	3.2
193.08792	3.9
194.09615	3.8
195.10341	5.0
196.07631	16.9
196.11200	6.4
197.08282	8.9
198.09126	26.3
199.07657	2.5
200.10703	100.0
201.09132	2.7
201.10976	2.3
208.07483	4.4
208.11205	8.5
210.09109	12.1
210.12856	2.7
211.09801	10.3
212.10739	6.2
212.14366	5.0
215.10683	2.7
217.08664	5.6
220.11238	3.6
222.12834	2.5
223.13623	2.9
224.10585	8.7
224.14449	2.0
226.12248	6.1
234.08951	2.6
234.12808	4.0
236.14288	10.2
238.12294	4.2
238.15790	3.8
239.12930	2.5
243.10110	7.0
246.12677	1.9
248.10628	3.7
248.14392	3.7
250.15912	2.2
254.15395	84.5
258.09225	5.1
259.34241	2.0
261.10245	11.3
264.17526	6.4
266.15384	13.1
271.08670	9.9
272.09381	2.4
276.10190	5.7
285.10263	2.7
288.17480	6.1
289.09705	75.5
292.16898	3.4
299.11978	3.7
302.19006	10.9
306.11298	6.3
312.12946	2.7
314.11560	2.7
320.20065	7.6
322.12186	3.1
324.13910	4.3
325.13562	8.8
327.11295	2.6
332.12775	6.6
334.12274	3.4
340.13257	10.2
348.12405	15.3
352.13330	7.2
353.12894	2.5
358.14215	5.7
381.19629	37.9
388.15500	2.1
399.20746	6.8
425.22168	4.3
437.22421	4.6
444.23108	2.8
450.24344	9.2
462.24213	11.3
464.25748	3.6
467.17609	5.2
471.03174	2.1
480.25592	4.0
482.26697	15.5
485.18448	4.5
488.59158	2.1
503.19745	3.0
557.56885	2.2
577.28235	6.2
595.29663	17.9
613.31018	12.9
631.33569	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	631.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61658	0.9
55.01877	1.3
55.05504	4.9
57.07076	2.7
58.06588	2.1
59.05000	2.4
67.05518	5.9
69.07067	11.2
71.05014	1.2
71.52925	1.4
74.89227	1.0
79.05487	1.9
81.07058	3.3
83.05008	6.5
83.08636	1.4
85.06538	2.6
86.32347	0.9
91.05476	4.7
92.92959	0.9
93.07029	3.3
95.04976	1.1
95.08609	3.5
97.06495	1.1
103.05450	1.1
105.03400	2.1
105.07018	2.1
107.08575	2.2
109.10174	2.6
115.05466	1.4
117.07044	1.5
119.04953	0.9
119.08618	2.1
121.10156	1.4
128.02147	1.0
128.06183	1.8
131.04959	4.5
131.08575	1.7
133.02863	1.6
133.10135	2.1
134.03653	2.2
142.07903	0.9
147.04405	7.6
147.11685	1.4
159.04456	5.1
161.02336	7.6
161.05943	1.9
162.03110	5.9
163.03905	3.5
163.11151	1.1
169.10150	1.4
171.04396	2.1
173.02330	1.3
173.06085	1.1
175.03911	26.2
175.05316	2.0
176.04581	1.2
177.05481	4.9
179.03397	1.3
185.06006	1.2
187.03911	11.9
188.01157	1.3
189.01840	24.9
189.05463	4.4
190.02582	6.5
199.03946	6.0
199.07539	1.6
201.05502	3.2
202.02615	5.5
203.03445	4.2
209.09630	1.1
213.05502	3.8
215.03418	4.1
215.07025	2.3
217.01332	67.1
217.04871	3.3
218.02110	55.3
219.02470	1.0
221.15363	1.3
223.07568	1.2
226.28598	1.0
227.07066	2.7
228.07838	1.1
229.08629	9.3
230.02121	7.8
231.02913	12.3
231.10147	2.5
232.03670	47.6
233.04448	100.0
234.04829	1.1
241.08620	9.7
243.10201	7.4
245.04474	25.8
245.08063	4.9
247.09633	4.4
251.07022	1.1
253.08685	1.3
255.10368	1.3
257.07941	1.1
258.08719	1.0
259.09668	2.6
269.08194	1.2
271.06036	1.8
273.11212	3.7
283.09470	1.1
295.13324	1.7
297.14856	1.8
301.10721	20.8
313.14377	7.3
331.15390	1.9
452.86697	1.1
492.02454	1.3
562.18335	26.0
563.18933	3.7
572.38214	1.2
630.41870	1.3
631.25806	5.4
631.42633	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	631.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
55.01854	0.6
55.05505	2.9
56.20255	0.4
57.07053	1.1
59.05001	2.4
60.03770	0.5
65.03938	0.8
67.01858	0.5
67.05505	2.5
68.27252	0.4
69.03417	0.6
69.07067	10.0
69.41055	3.3
71.04988	0.8
77.03932	0.5
79.05471	1.7
81.07056	2.1
83.04973	1.0
83.08591	0.6
85.06518	1.9
91.05489	4.3
92.78069	0.5
93.07021	1.0
95.01302	0.5
95.08575	2.0
98.20793	0.8
103.05411	0.9
105.03389	1.7
105.07005	1.9
107.04910	1.3
107.08570	0.8
109.06514	0.5
109.10152	0.7
115.05396	1.0
115.94234	0.4
117.07027	0.7
119.04919	2.0
119.08569	0.8
121.02837	0.4
121.06505	1.4
121.10109	1.1
128.06233	0.9
129.07021	0.9
131.04918	4.0
131.08585	0.7
133.02837	2.0
133.06483	1.0
133.10063	0.5
134.03613	1.9
135.04439	0.6
141.06949	0.5
141.70059	0.4
143.04849	0.5
143.08578	0.7
145.06487	0.8
147.04404	5.4
149.06000	0.5
152.06247	0.5
155.08604	0.6
159.04428	4.0
159.11594	0.6
161.02350	8.0
161.05975	0.9
162.03137	5.8
163.03903	6.7
164.04231	2.0
167.08540	0.9
169.10106	0.5
171.04431	2.0
173.02383	1.4
173.05951	1.1
174.03165	0.5
175.03906	21.7
176.04604	0.8
177.05452	5.7
178.02682	0.5
179.03413	1.2
183.07977	0.5
183.14647	0.4
185.05962	0.8
185.09633	0.5
187.03903	12.6
187.07477	1.2
189.01830	22.9
189.05421	5.1
190.02629	5.0
190.05681	0.6
193.04965	1.5
195.07951	0.7
197.05940	0.6
197.09769	0.5
198.06725	0.7
199.03920	4.8
199.07536	0.8
201.05470	3.8
201.69275	0.5
202.02634	4.4
203.03426	3.3
203.07021	1.1
205.04976	0.9
211.07599	1.0
212.04678	1.1
213.05460	3.9
213.09103	1.5
215.03468	2.1
215.06984	2.4
217.01323	63.4
217.04893	3.4
218.02101	49.1
219.02612	0.6
223.07663	1.0
223.70503	0.5
225.05473	0.8
225.09099	0.6
226.06363	0.8
227.07103	2.5
228.07790	0.5
229.08603	7.2
230.02113	6.8
231.02853	1.9
231.10199	2.8
232.03667	48.4
233.04448	100.0
234.04813	1.3
239.06990	1.1
240.07744	0.5
241.08604	9.1
242.08943	0.5
243.06506	1.1
243.10187	7.5
245.04463	25.2
245.08107	4.9
247.09642	5.3
248.09984	0.5
250.04767	1.7
251.07094	1.7
253.08629	0.9
255.10178	1.3
257.08112	0.8
258.08969	0.8
259.09576	2.5
268.07187	0.8
269.08206	0.5
270.08780	0.6
271.06055	1.2
273.11215	3.1
283.09674	1.6
286.08243	2.7
295.13348	1.7
301.10712	22.4
301.14026	0.9
302.11200	0.5
313.14322	8.4
331.15369	1.2
402.79803	0.5
495.18982	0.5
547.16077	1.2
562.18347	26.7
563.18933	4.5
630.45593	0.6
631.25519	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	631.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
57.07061	0.9
59.04955	0.6
62.28435	0.5
65.03919	1.3
67.05502	3.5
69.06719	0.8
69.07063	8.2
69.41100	4.4
71.04990	0.5
71.08617	0.4
79.05476	1.2
79.63895	0.4
81.07043	0.8
83.04964	1.4
85.06558	2.4
89.03889	0.8
91.05492	4.6
93.07030	0.8
95.01280	0.5
95.08588	0.8
95.71127	0.5
100.08157	0.5
103.05450	1.0
105.07008	1.0
107.08622	1.1
109.02869	0.7
109.10143	0.7
117.07033	1.0
119.04914	2.4
119.08582	1.1
121.06499	0.6
125.05943	0.5
128.06218	0.9
129.06972	0.6
131.04919	4.2
134.03676	0.9
145.02849	1.9
145.06456	0.6
145.10109	0.7
147.04436	4.6
147.11790	0.6
159.04414	7.6
160.01541	1.5
161.05852	0.7
162.03110	1.9
163.11043	0.5
172.01497	0.6
173.02339	1.3
173.05946	1.4
173.09494	0.6
174.03149	1.7
175.03902	46.6
177.05450	1.2
185.05641	0.5
186.06821	0.5
187.03900	12.2
187.07498	2.1
188.01013	7.1
188.04597	0.7
189.01894	1.2
189.05502	1.7
190.02585	1.7
193.97372	0.5
199.03906	0.8
201.01799	1.1
201.05481	5.0
202.02631	1.1
203.03387	16.6
213.05446	2.2
214.06252	0.9
215.03374	8.1
215.06943	0.8
216.04164	1.7
217.01335	4.5
217.04892	1.3
217.08693	0.6
218.02104	28.0
229.05190	4.2
229.08585	32.2
230.02086	4.8
231.02878	100.0
231.10208	1.4
232.03581	2.8
233.04437	62.8
234.04774	0.7
241.08713	0.6
242.05673	1.0
245.04486	3.1
247.09657	8.6
257.08063	5.4
271.09760	1.1
273.07590	1.6
275.09216	1.2
292.18979	0.6
293.19562	0.5
299.09134	8.4
301.14426	0.7
314.49969	0.6
317.10165	10.5
335.11240	1.6
349.15405	0.5
545.18396	0.7
592.19843	0.5
631.25470	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.2
53.03945	0.7
53.29473	0.2
54.98078	0.2
55.01869	1.3
55.05503	0.6
57.03432	0.5
65.03930	0.4
67.01860	0.3
67.05503	4.3
68.99795	0.7
69.03432	1.9
69.07059	0.4
70.06609	1.0
70.74049	0.3
70.74385	0.4
71.04994	0.9
72.08151	0.2
72.58283	0.2
73.02906	0.5
79.05505	1.2
81.03416	4.7
81.07064	1.2
82.03728	0.3
83.04985	0.5
83.08579	0.4
84.04490	0.2
84.08124	0.4
85.02910	2.0
86.09706	0.3
91.05484	10.3
92.05822	0.2
93.07045	5.7
95.04953	0.9
95.08608	9.1
96.08916	0.3
97.02897	1.7
97.06521	0.3
99.04449	1.1
101.02383	3.4
103.05445	0.3
105.03405	0.9
105.07035	0.9
107.04942	0.7
107.08605	0.4
109.02882	8.0
109.06487	0.4
109.10156	4.8
110.03266	0.3
111.00793	0.8
111.04431	0.4
111.08089	0.3
113.05994	0.2
115.03860	0.2
116.07059	0.2
117.07007	0.6
119.04935	1.1
119.08582	23.9
120.08131	0.3
120.08918	0.6
121.02867	7.4
121.10159	0.5
123.04416	0.2
123.08044	0.7
127.03922	8.3
129.06990	0.7
131.04938	0.3
133.02873	1.1
133.10191	0.3
136.06166	0.3
136.07491	0.3
137.02345	1.5
137.05977	0.4
137.09619	19.6
138.09987	0.3
145.02861	0.3
145.05000	0.8
145.06467	0.5
147.04417	2.3
147.08060	2.4
149.06010	0.2
149.09647	0.2
151.03906	0.4
153.01831	3.5
155.10657	1.5
157.06442	0.5
158.41953	0.2
161.05983	0.5
162.05446	0.3
163.03810	0.3
163.07698	0.2
165.01833	1.7
165.09123	3.5
167.07028	0.6
171.02870	0.4
171.04376	0.4
175.03897	1.5
177.05566	0.4
179.07097	0.2
181.04926	0.2
183.02922	0.9
183.10168	1.8
185.05959	0.7
197.06015	0.4
201.11221	40.1
202.11552	1.2
203.03175	0.2
203.06960	0.4
205.04970	0.3
207.02953	0.2
207.06541	2.5
208.06810	0.2
213.05534	1.3
225.03819	0.2
231.06595	1.1
237.67267	0.2
241.04988	1.4
243.06444	0.2
243.12219	0.4
245.04372	0.3
255.12253	1.3
258.05264	1.1
259.06128	0.4
269.04541	0.3
271.05969	0.3
287.05499	100.0
288.05847	3.9
289.14401	0.2
291.12189	0.4
299.05576	0.3
303.04990	0.7
303.77405	0.2
309.13510	1.1
311.05466	0.3
327.14423	3.7
329.06531	1.5
353.06607	0.3
395.07602	0.4
453.07901	0.2
631.33557	0.6
649.17810	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
53.59961	0.1
55.01873	0.9
55.05508	0.2
57.03445	0.8
61.02914	0.7
64.96682	0.2
65.03932	0.4
67.05492	0.8
68.99785	0.5
69.03429	4.7
69.07035	0.3
70.06576	0.4
70.59479	0.5
71.04987	1.0
71.72143	0.2
72.08163	0.2
73.02926	1.1
79.05489	0.5
81.03419	5.2
81.07047	0.8
85.02907	7.3
86.09715	0.2
87.00829	3.4
91.03957	0.4
91.05455	0.6
93.07037	0.5
95.04979	0.4
95.08602	0.5
97.02893	2.7
97.06493	0.3
99.04458	1.8
105.01869	1.9
105.07022	0.5
107.04954	0.2
107.08587	0.6
109.02129	0.3
109.02879	3.9
109.06488	0.5
109.10153	0.3
111.04429	0.3
114.09129	0.2
117.01843	0.6
117.07060	0.2
119.08559	0.4
120.04484	0.2
121.02881	0.6
121.10128	0.5
123.04424	0.6
123.11691	0.4
127.03912	5.4
129.01831	0.5
129.06993	0.2
131.08521	0.3
133.10138	0.4
135.04399	0.2
135.08037	0.3
135.11656	0.3
136.06172	0.4
145.04967	1.6
145.06129	0.2
145.06577	0.2
145.10114	0.2
147.02869	0.3
147.08014	0.3
149.02338	1.0
151.03900	3.9
151.04980	0.3
159.02893	2.4
159.08028	0.2
163.03926	0.4
167.03387	0.7
173.13263	0.2
175.03896	0.3
175.07646	0.3
177.01875	0.9
177.05424	0.9
184.07678	0.2
185.05922	0.2
189.05498	0.4
191.03343	0.3
191.07112	0.2
194.04460	1.0
201.05553	1.3
203.03418	1.6
203.06999	0.3
215.07193	0.2
219.06535	1.3
221.04465	0.2
231.04912	0.8
279.06610	0.4
281.07846	0.2
283.06055	0.2
297.07550	0.3
301.06909	0.5
307.06033	0.3
308.06940	0.5
313.07053	0.3
317.06461	0.3
322.08304	0.3
323.09183	0.3
325.07071	5.0
327.04810	0.2
327.12082	0.4
329.06628	1.2
336.06186	0.9
339.08621	0.3
340.05759	0.3
341.06534	1.2
341.10281	0.7
350.07797	1.1
351.08640	0.8
353.06540	6.7
354.07251	0.6
365.10239	1.9
367.08109	1.2
368.08914	2.4
383.11243	100.0
384.11591	2.6
405.08118	0.2
411.52444	0.2
436.18619	0.2
631.39221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	5.7
55.05318	2.7
55.05514	30.6
56.88313	3.3
57.03423	9.4
57.07072	9.8
58.15292	3.0
67.05183	6.2
67.05504	78.1
69.07076	19.4
69.87120	18.4
70.68570	3.7
71.08634	56.8
78.10827	3.9
79.05079	4.6
79.05495	61.1
81.03416	6.1
81.07056	77.4
83.04961	6.2
83.08605	12.0
88.89733	3.3
89.06029	3.6
91.05477	47.1
93.07040	84.3
95.04948	11.5
95.08604	60.7
97.06490	8.5
97.10122	4.5
97.72546	3.6
98.20879	7.1
98.53754	3.2
99.08097	31.4
103.27555	3.4
105.07027	46.4
107.04950	6.7
107.08583	42.3
109.06503	5.3
109.10146	23.0
117.07008	17.3
118.64159	3.4
119.08574	31.9
121.10152	35.6
123.08010	3.9
123.11678	5.8
129.06976	10.2
131.08562	33.9
133.10129	22.3
135.06769	3.8
135.11691	29.0
136.44753	3.9
143.08534	9.2
145.10133	20.1
147.11638	18.5
149.13251	13.9
151.11211	16.9
155.08517	3.8
157.10120	13.2
159.11650	14.6
161.13255	17.7
163.14841	9.7
165.12762	4.1
167.08456	3.8
169.10092	4.2
171.11671	9.5
173.13196	9.8
175.14940	5.8
179.14330	44.3
184.62206	3.6
185.13287	7.4
187.14856	4.5
191.29242	4.0
199.14844	6.0
211.14752	4.2
241.19562	6.1
243.21072	17.6
259.20483	4.9
261.22107	14.1
277.21622	62.4
295.22440	4.8
317.24716	8.0
335.25726	49.6
343.00571	3.9
351.25311	56.9
409.81351	4.0
457.37088	5.0
513.39099	13.7
515.37079	7.7
529.39172	6.9
531.40002	5.4
555.45538	4.3
611.46686	100.0
612.46466	4.4
629.47620	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.2
53.03951	0.4
55.05509	1.3
57.07079	1.2
59.05000	1.0
63.02362	0.2
65.03922	1.3
67.05500	2.2
68.99799	0.4
69.07066	1.9
69.58382	1.0
70.49264	0.1
71.04987	0.4
71.08626	0.5
73.06564	0.2
77.03538	0.2
77.03916	0.3
79.05495	1.5
81.03396	0.2
81.07053	4.3
81.07534	0.3
83.08617	0.4
85.06544	1.3
85.10149	0.2
89.06039	1.2
91.05478	15.3
93.07034	0.7
95.04958	0.8
95.08601	2.0
97.10155	0.2
100.46275	0.1
103.05469	0.2
105.04520	0.2
105.07024	0.6
107.04951	21.1
107.08569	0.5
108.05267	0.2
108.92625	0.2
109.06516	0.2
109.10152	0.5
111.11751	0.3
115.05463	0.3
117.06974	0.3
119.04938	20.4
119.08598	0.3
120.05314	0.3
121.10151	0.5
123.11679	0.4
128.00977	0.1
128.06244	0.3
129.06999	0.3
131.04927	1.5
131.08539	0.4
133.06479	0.2
133.08591	1.0
133.10132	0.3
135.04411	2.0
135.11609	0.2
137.13240	1.8
143.08524	0.3
145.06494	0.3
145.10117	0.2
147.04413	1.9
147.11678	0.3
155.08540	0.2
157.10062	0.2
159.03204	0.2
159.04410	1.6
159.11681	0.2
161.05983	0.3
163.03896	100.0
164.04218	1.1
169.10030	0.2
171.04408	0.4
171.08084	0.2
173.05995	0.7
173.58871	0.2
175.03900	16.0
176.04361	0.2
177.05489	1.5
177.11191	0.2
185.05927	0.3
185.09627	0.2
187.03900	6.1
187.07497	0.5
189.05486	1.8
189.09067	0.1
193.57175	0.2
195.08029	0.1
198.06656	0.3
199.03888	1.8
199.07568	0.3
199.14799	0.2
201.05489	1.4
201.09036	0.2
203.03392	1.1
203.07066	1.0
211.07526	0.4
212.04626	0.3
213.05440	1.4
213.08989	0.3
215.07060	1.0
217.04945	0.4
217.08600	0.7
225.09012	0.2
226.06245	0.8
227.06972	0.9
228.07817	0.5
229.08601	5.9
230.08815	0.2
231.10129	2.0
239.07048	0.4
241.08575	5.2
241.11014	0.3
243.10175	4.9
245.08080	2.4
247.09650	9.3
253.08604	0.5
255.10219	0.5
257.08145	0.3
259.09689	2.0
265.10910	0.2
267.10019	0.1
269.11649	0.2
271.09665	0.3
295.13306	1.8
299.16312	0.4
313.10565	0.2
313.14304	6.6
331.15417	1.9
447.17810	0.4
475.17261	0.6
493.18564	7.2
494.18558	0.2
515.37036	0.3
611.46112	0.6
629.31110	3.2
629.47247	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73223	6.9
57.03437	6.8
59.43717	5.5
61.02920	7.4
67.05491	16.9
68.40218	5.4
69.07077	11.0
71.52760	8.5
79.05476	9.7
81.07045	11.7
91.05489	14.0
93.07072	11.1
95.08606	7.8
96.18359	5.7
105.07083	6.4
109.10086	6.3
119.08591	10.6
121.10122	6.7
145.10172	7.0
147.04407	12.9
157.10132	6.8
175.03922	100.0
187.03952	9.3
187.91048	5.6
229.08606	25.8
231.02959	9.8
247.09660	81.8
252.80765	6.9
259.08621	7.8
285.10071	9.3
342.13947	7.4
381.14517	5.9
398.39828	5.4
429.79218	6.4
463.22845	7.4
539.83276	7.6
611.21826	5.8
612.12634	7.8
629.40594	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.1
55.79974	1.3
57.07077	1.8
58.42396	1.4
59.04988	2.2
65.43674	1.0
67.05495	3.3
67.84959	1.2
69.07070	9.6
70.04072	1.2
71.53215	2.2
79.05483	2.1
80.39697	1.2
81.07040	3.8
85.06538	1.8
87.66171	1.5
91.05505	9.2
93.07031	2.2
95.08566	1.7
105.07026	4.4
116.66051	1.6
117.07018	2.3
119.04944	4.9
119.08603	1.7
121.06570	1.6
131.04918	5.1
131.08606	1.8
133.06462	2.2
141.07173	1.6
147.04422	16.6
155.08530	2.1
159.04427	5.7
161.06013	1.9
163.03893	4.8
173.06003	3.2
175.03914	100.0
177.05505	13.3
187.03889	18.9
187.07516	3.0
189.05463	11.2
199.03886	1.8
201.05428	6.5
203.03398	2.5
213.05394	2.5
215.06999	1.9
229.08603	38.6
231.10146	20.4
241.08640	2.9
243.10271	2.7
247.09674	32.5
259.09644	14.1
297.15018	1.5
315.15985	11.6
441.90356	1.5
611.46625	2.3
629.30750	5.7
629.46704	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.05501	1.0
57.07062	0.6
59.04993	1.1
63.02407	0.3
65.03947	1.8
67.05485	1.1
68.99776	0.8
69.07062	2.1
69.43784	0.3
70.34348	1.1
71.04995	0.4
79.05502	1.6
81.07057	3.8
85.06538	1.0
89.06056	0.7
91.05482	16.3
93.07050	0.5
95.04968	0.7
95.08625	1.6
103.05470	0.3
107.04957	24.3
119.04944	23.2
128.06232	0.5
131.04944	2.1
134.57832	0.3
135.04419	2.0
137.13249	1.7
147.04428	2.3
155.08511	0.4
159.04434	2.4
160.65468	0.3
161.05930	0.5
163.03905	100.0
164.04259	1.0
171.04424	0.5
173.06003	0.6
175.03906	12.5
177.05518	1.8
185.05928	0.3
187.03893	5.3
187.07559	0.5
189.05502	2.6
189.09138	0.4
197.06149	0.4
199.03928	2.2
199.07576	0.5
201.05455	1.3
201.09077	0.4
203.03423	0.7
203.07082	0.7
212.04810	0.5
213.05501	1.4
213.09120	0.5
215.07011	0.7
226.06140	0.6
227.07007	1.0
229.08636	3.4
231.10161	1.9
239.06856	0.4
241.08597	3.6
243.10158	3.8
245.08141	2.4
247.09636	4.7
253.08554	0.6
255.10210	0.3
259.09668	1.5
295.13345	1.2
313.14319	4.5
331.15436	1.2
475.17676	0.4
493.18604	5.8
629.31055	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	629.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96020	0.5
64.35260	0.6
69.07076	21.6
70.73891	1.2
82.44396	0.6
84.65576	0.5
85.06554	1.1
91.05486	3.9
115.05484	0.7
119.04934	1.5
120.04501	1.5
129.06998	0.5
130.06531	0.6
131.04958	2.7
147.04404	8.7
159.04440	6.5
163.03909	2.3
173.05983	2.1
175.03914	100.0
176.04337	1.2
187.03914	17.2
187.07494	2.5
189.05406	2.6
201.05518	5.0
203.07042	1.1
213.05417	1.5
217.08559	0.6
223.07588	0.9
229.08615	38.4
230.08987	1.0
241.08594	3.8
243.10114	2.7
246.12338	0.6
247.09671	83.4
248.09958	1.6
255.10173	0.8
259.09686	4.5
265.10718	1.6
297.14819	1.8
315.15872	8.6
325.13358	0.8
326.13690	1.0
381.19778	0.8
382.20068	2.7
561.24304	0.7
629.31372	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	629.2245
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
64.22796	0.3
69.88468	1.6
69.88877	0.7
133.95769	0.4
224.14120	0.4
228.16956	0.4
269.87518	0.4
384.12537	0.5
395.11523	0.5
396.12067	1.9
397.12958	2.8
398.13565	1.8
399.14499	1.0
400.15225	1.1
410.13837	3.3
411.14520	7.1
412.15250	6.1
413.16217	4.4
414.16644	0.8
415.31876	0.5
423.14514	1.6
424.11246	1.3
424.16367	2.5
425.16263	17.1
426.16940	10.5
427.17621	4.0
428.18704	3.6
429.19174	1.1
437.16031	1.2
438.13126	3.3
438.17514	1.7
439.13577	21.5
440.13913	2.8
440.19373	7.5
441.19290	40.6
442.19742	4.4
444.18121	0.6
451.13589	0.6
452.14337	4.0
453.15393	25.8
454.16040	6.5
455.16553	0.6
455.21658	0.7
456.18225	2.0
457.15164	1.3
463.14001	1.1
465.15451	0.7
466.12576	0.6
466.16559	0.4
467.17191	28.5
468.17883	22.5
469.18814	11.7
470.19788	1.9
471.16302	1.9
472.17343	1.1
478.16205	0.5
480.17194	1.6
481.14581	10.6
482.15826	2.2
483.16226	0.7
484.22015	3.2
485.17273	2.4
485.23404	0.6
486.18942	1.2
495.15918	2.9
496.17035	12.4
497.17026	2.7
498.19205	1.9
499.19373	1.3
500.20752	4.9
501.21378	0.7
508.19672	0.8
509.18347	1.7
510.18668	0.8
512.20972	3.2
513.21893	5.4
514.21576	1.3
522.17529	0.6
523.19611	1.4
526.18433	0.9
527.19073	0.5
528.19910	1.0
531.22375	0.9
537.18195	1.0
541.20868	43.8
542.21167	4.6
553.20715	0.9
554.17700	0.5
559.22339	0.5
568.19879	0.6
569.20319	100.0
570.20624	10.7
572.18884	1.1
573.23785	3.0
587.20667	0.8
597.19800	32.4
598.20386	2.8
600.22113	1.2
601.22980	13.9
602.23401	1.5
615.21021	0.7
629.22357	73.2
630.22626	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	628.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05500	0.7
57.03413	0.4
61.67802	0.3
64.46674	0.3
65.03922	0.7
67.05493	0.9
69.03426	0.8
69.98486	1.7
70.06576	1.5
72.08112	0.4
77.03889	0.5
79.05489	0.8
81.03404	1.1
81.07044	1.6
83.04971	0.9
84.08123	0.5
85.02889	1.4
86.09706	1.9
86.98971	0.3
91.05480	13.0
93.07024	1.1
95.04945	1.0
95.08618	2.1
97.02879	0.5
97.06508	0.5
98.20784	0.4
99.04468	0.4
103.05435	0.9
105.03362	0.9
105.07028	2.8
107.04913	0.3
107.08573	0.5
109.02877	0.8
109.06561	0.4
116.07084	1.0
119.04939	21.7
119.08569	1.2
120.08100	2.3
121.10130	0.6
123.08073	0.6
125.09627	0.4
125.91779	0.3
127.03932	0.8
131.08588	0.5
132.02063	0.6
133.02788	0.5
133.10081	0.6
135.04402	0.4
135.11659	0.5
136.07590	0.4
137.05951	0.8
145.02806	0.7
146.03551	0.5
146.06010	0.4
147.04404	20.3
147.11687	1.2
149.02367	0.7
149.09613	0.3
157.04001	1.6
164.04614	0.5
167.07042	1.4
175.03899	38.6
176.04326	0.5
177.05421	0.9
177.12653	0.5
178.04956	0.4
179.07083	2.1
179.08501	0.4
181.04927	0.5
189.12762	0.8
192.04144	0.8
197.09581	0.4
207.06522	100.0
207.13779	2.7
208.06902	1.9
225.07520	0.7
244.48042	0.4
269.17502	1.7
271.06165	0.7
281.11423	0.6
351.10638	0.8
369.11761	3.1
395.18414	0.4
553.44751	0.3
592.34375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.0
57.03415	2.1
67.05504	3.8
69.03424	7.6
69.07062	1.9
70.06597	24.9
71.05011	2.6
71.06947	3.0
71.52173	2.7
72.08157	5.2
74.06069	1.6
75.05613	2.8
79.05499	4.0
81.03422	9.2
81.07050	6.2
82.06554	1.7
83.04997	2.2
84.08157	2.4
85.02887	6.0
86.09723	2.0
91.05481	20.4
93.07040	5.6
93.57231	1.7
95.04949	3.2
95.08595	5.9
97.02885	2.8
97.50041	2.0
99.04481	2.5
105.03378	4.6
105.07028	11.5
107.04945	3.1
107.08556	2.2
109.02895	8.0
111.08115	2.3
115.37969	1.7
116.07098	27.9
117.07450	3.3
119.04945	31.0
119.08596	3.5
121.02881	2.4
124.07598	2.6
125.09676	1.6
127.03912	5.7
133.10144	3.4
135.04437	2.0
140.41515	1.5
145.02844	2.1
145.04971	2.2
145.10173	2.0
147.04408	28.2
147.11694	4.2
151.07458	1.8
157.04015	2.9
167.07060	4.2
175.03915	40.3
177.05524	3.1
179.06989	2.0
181.04913	2.9
184.04572	1.8
202.51102	1.7
206.04633	2.1
207.06537	100.0
207.13763	9.8
208.06853	3.6
242.04729	2.1
271.06003	6.4
272.06329	3.6
287.05408	2.8
351.11011	3.1
369.11783	9.4
448.35663	2.3
452.69315	1.8
465.39438	1.7
497.00031	1.8
565.27173	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	628.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.0
57.03415	2.1
67.05504	3.8
69.03424	7.6
69.07062	1.9
70.06597	24.9
71.05011	2.6
71.06947	3.0
71.52173	2.7
72.08157	5.2
74.06069	1.6
75.05613	2.8
79.05499	4.0
81.03422	9.2
81.07050	6.2
82.06554	1.7
83.04997	2.2
84.08157	2.4
85.02887	6.0
86.09723	2.0
91.05481	20.4
93.07040	5.6
93.57231	1.7
95.04949	3.2
95.08595	5.9
97.02885	2.8
97.50041	2.0
99.04481	2.5
105.03378	4.6
105.07028	11.5
107.04945	3.1
107.08556	2.2
109.02895	8.0
111.08115	2.3
115.37969	1.7
116.07098	27.9
117.07450	3.3
119.04945	31.0
119.08596	3.5
121.02881	2.4
124.07598	2.6
125.09676	1.6
127.03912	5.7
133.10144	3.4
135.04437	2.0
140.41515	1.5
145.02844	2.1
145.04971	2.2
145.10173	2.0
147.04408	28.2
147.11694	4.2
151.07458	1.8
157.04015	2.9
167.07060	4.2
175.03915	40.3
177.05524	3.1
179.06989	2.0
181.04913	2.9
184.04572	1.8
202.51102	1.7
206.04633	2.1
207.06537	100.0
207.13763	9.8
208.06853	3.6
242.04729	2.1
271.06003	6.4
272.06329	3.6
287.05408	2.8
351.11011	3.1
369.11783	9.4
448.35663	2.3
452.69315	1.8
465.39438	1.7
497.00031	1.8
565.27173	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	628.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83837	0.3
54.64437	0.3
55.01869	0.4
55.05522	0.6
60.04543	0.3
65.03925	0.4
67.05508	0.6
69.03430	1.2
70.06590	62.1
71.04948	0.3
71.06922	0.4
71.18530	0.6
72.08162	0.5
73.07675	0.7
79.05476	0.6
81.03419	1.2
81.07054	1.1
82.06618	0.3
83.04940	0.4
83.08627	0.3
84.08133	0.7
85.02905	1.1
86.09705	0.6
91.05473	1.0
93.07044	0.6
95.04989	0.6
95.08614	1.0
96.08146	0.3
97.02876	0.4
97.06512	0.4
99.04491	0.4
102.88120	0.3
104.93236	0.2
105.03390	0.5
105.07027	1.1
107.04961	0.3
107.08608	0.8
109.02892	1.2
109.06506	0.4
109.10131	0.6
113.06065	0.3
115.08646	0.5
116.07086	100.0
117.07430	0.3
119.04943	0.8
119.08565	0.7
120.08090	0.5
121.02843	0.3
121.06523	0.5
121.10168	0.5
121.51247	0.2
123.04458	0.6
123.11680	0.3
127.03929	0.8
131.08623	0.4
133.02901	0.3
133.10106	0.4
135.04463	0.3
137.05957	0.6
143.08614	0.3
145.06566	0.3
145.10046	0.5
147.04404	1.1
151.03874	0.5
151.07545	0.4
156.10187	0.5
162.05493	0.7
163.03856	0.4
165.05312	0.3
167.07053	4.8
168.07343	0.5
173.05966	0.4
175.03880	0.9
177.05493	0.4
178.04979	0.6
179.06990	0.3
181.04950	1.9
189.09023	0.5
193.04967	0.3
193.08641	0.4
201.09007	0.8
206.04472	1.7
207.06538	1.9
210.08862	0.3
213.09099	0.8
221.07759	0.3
227.10654	0.3
227.14197	0.4
255.13788	3.9
258.07538	1.1
259.07877	0.8
262.75751	0.3
271.06009	0.4
273.06268	0.9
273.14743	0.4
277.88828	0.3
287.05420	0.3
288.08603	1.0
297.14807	1.1
315.15878	4.3
361.83670	0.3
374.58618	0.3
628.19592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	12.1
55.05508	29.6
57.03421	11.4
57.07071	7.2
65.03925	5.9
67.05498	56.4
69.07075	29.9
69.20168	57.9
70.54316	4.6
71.08635	66.1
79.05490	52.5
81.03384	4.8
81.07055	61.8
83.08596	8.2
85.06534	5.7
91.05477	60.1
93.07051	58.7
95.04961	9.6
95.08597	43.4
97.06528	18.6
97.10197	6.2
98.20778	9.2
99.08089	31.3
105.07022	54.6
107.04984	7.6
107.08584	28.8
109.06502	5.5
109.10162	14.3
112.51893	6.1
117.07019	21.2
119.08578	40.2
121.10098	12.3
123.11713	5.1
125.09600	6.2
129.06990	11.9
131.08598	33.4
133.10138	26.8
135.11714	17.7
141.06993	7.1
143.08566	25.0
145.10115	37.5
147.11679	15.4
149.13300	8.1
151.11208	6.6
155.08510	8.8
157.10110	23.5
159.11708	20.2
161.13263	27.5
163.11131	6.2
169.10190	11.4
171.11664	22.3
173.13324	6.8
175.14809	14.8
179.14342	22.5
181.10049	5.8
183.11737	14.4
185.13274	16.2
187.14793	5.4
195.11711	7.8
197.13306	8.8
199.14882	6.4
215.17917	5.6
223.14784	6.1
231.21249	6.2
239.17873	5.6
241.19458	14.8
259.20541	22.4
275.19992	15.6
277.21606	32.0
333.24188	23.1
335.26157	6.0
349.24033	9.4
351.25342	31.4
437.34146	33.9
468.56818	5.3
511.37717	17.2
513.34918	8.5
517.40131	8.6
529.38489	8.4
535.41400	11.4
544.42285	5.0
553.42529	7.3
609.45245	68.6
627.36774	7.8
627.46252	100.0
628.46051	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	627.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01870	0.6
57.03422	0.6
61.02908	0.8
62.02251	0.2
68.99783	0.5
69.03431	1.8
70.06588	2.2
70.57777	0.5
70.58112	0.4
71.04977	0.8
72.08158	0.5
73.02921	0.3
79.05492	0.3
81.03406	1.1
81.07054	0.3
81.86465	0.2
84.04506	0.6
84.08145	0.7
85.02906	5.5
85.06511	0.3
86.06026	0.2
86.09696	0.5
87.04456	0.4
93.07070	0.5
97.02901	1.9
97.06579	0.3
99.04451	0.6
105.03397	0.6
105.06959	0.3
107.04980	0.5
107.08617	0.3
109.02856	0.9
110.07160	0.3
120.08083	0.4
121.02863	2.7
123.00843	0.4
127.03922	1.7
136.07661	0.3
137.02319	0.8
138.09067	0.3
145.04955	0.7
145.06500	0.3
147.04410	0.5
151.03888	0.5
153.01825	1.5
154.04996	3.4
155.05272	0.8
165.01846	0.7
169.01299	2.1
173.05946	0.6
177.05402	0.4
180.08751	0.9
181.01334	0.7
183.04417	0.5
186.09203	0.3
187.03801	0.3
201.05481	0.6
204.10220	0.5
229.04994	1.6
232.10818	0.8
247.06085	0.5
257.04425	1.7
271.67337	0.4
274.04590	0.4
275.05582	0.4
280.08301	0.4
281.08389	0.3
285.03928	1.1
287.05304	1.4
300.91058	0.3
303.04990	100.0
304.05301	1.3
344.69504	0.3
368.85168	0.3
464.18832	0.4
465.10086	4.2
465.19485	0.3
627.25879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
53.15881	0.2
55.01862	0.4
57.03418	0.5
60.31039	0.2
61.02929	1.0
65.03944	0.2
68.99790	0.5
69.03078	0.2
69.03428	2.7
69.20781	1.6
69.21178	0.2
71.04971	0.3
71.23943	0.1
73.02901	0.3
81.03423	1.2
85.02904	6.5
87.04452	0.2
91.03944	0.4
95.04961	0.3
97.02888	2.4
99.04424	0.4
109.02895	1.2
111.00793	0.9
121.02882	0.9
123.04455	0.3
127.03910	1.5
135.45862	0.2
137.02338	3.2
145.04993	1.1
145.05962	0.2
145.06479	0.1
149.02325	0.6
153.01826	3.4
163.03886	0.7
165.01840	2.2
166.02644	0.3
173.05991	0.3
180.24820	0.2
182.12425	0.2
183.02875	0.7
183.04366	0.3
187.03967	0.4
191.03447	0.2
192.06496	0.2
195.02943	0.3
201.05521	1.8
205.05045	0.2
219.06473	0.3
228.04338	0.3
229.04961	4.1
229.07071	0.3
247.06108	0.8
257.04443	3.2
274.04724	0.7
275.05371	0.2
285.03970	1.5
286.25314	0.2
297.52640	0.2
303.04984	100.0
304.05301	2.3
345.05933	0.3
465.10330	5.7
546.80109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	6.5
55.01871	29.7
55.05516	27.1
57.03433	8.3
57.07069	6.6
67.05508	49.7
69.06734	5.0
69.07069	69.9
70.03634	7.5
70.04040	16.1
71.08606	6.0
73.04623	3.5
79.05486	38.4
79.68476	3.8
81.03417	7.3
81.07056	69.1
83.04960	6.9
83.08623	11.7
89.65305	4.1
91.05482	50.4
93.07039	33.8
95.04983	8.9
95.08611	35.8
97.06532	41.2
97.10158	6.8
100.32142	4.9
105.07037	51.4
107.04952	9.6
107.07941	3.8
107.08596	25.5
109.10149	18.3
111.08041	6.3
117.07021	17.9
119.08575	32.1
119.09327	4.9
121.10142	15.4
123.08087	6.8
123.11681	6.1
125.09641	5.2
128.06194	4.8
129.06987	12.1
131.08580	36.8
133.10129	28.9
135.11671	9.9
137.09523	5.8
141.06943	4.4
143.08578	22.6
145.10165	23.8
147.11696	19.7
149.09616	7.7
149.13199	4.5
155.08545	15.6
157.10104	17.2
159.11696	20.5
161.13269	16.5
163.11333	5.2
169.10085	19.0
171.11646	16.1
173.13280	14.8
175.14827	4.9
177.12648	6.8
179.14339	4.8
181.10141	7.2
183.11650	15.7
185.13200	20.4
187.14795	3.9
193.10147	8.4
195.11668	9.8
197.13251	9.9
199.14828	9.6
209.13239	8.3
211.14798	7.6
213.16422	10.2
221.25858	4.4
223.14848	8.2
241.19527	16.9
259.20612	18.5
273.18527	7.0
275.20074	28.1
291.19452	5.6
298.90991	4.0
313.21817	5.0
333.24158	14.3
349.23889	20.1
354.97449	4.4
363.27026	4.3
435.32724	7.5
437.27835	5.1
437.34128	18.6
511.37598	11.3
513.35248	5.3
529.38849	6.1
533.39551	13.9
551.40863	8.7
555.36407	4.9
607.43402	45.8
625.28284	6.1
625.44684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.8
53.03954	0.7
55.01870	1.2
55.05518	1.8
56.05014	0.7
57.03428	3.5
65.03940	2.2
67.05499	2.8
67.88757	0.8
68.99800	1.6
69.03429	34.0
69.07045	1.5
70.03782	0.8
70.06593	2.5
71.04984	1.5
71.52146	0.8
72.08157	0.7
77.03928	1.1
79.05494	4.9
81.03425	6.6
81.07054	4.9
83.04971	2.7
84.08153	0.9
85.02910	10.8
85.06533	0.9
88.78198	0.7
89.03931	1.3
91.05482	33.0
93.07069	3.6
95.04962	2.9
95.08605	3.4
97.02892	2.1
97.06550	1.2
98.61353	0.8
99.04455	1.5
103.05482	2.3
105.03393	3.5
105.07031	4.1
107.04959	7.9
107.08603	2.7
109.02879	4.3
109.06522	2.5
109.10144	2.7
109.21689	0.8
111.04448	5.0
111.08086	1.0
115.05466	1.5
117.07013	1.8
118.04237	0.8
119.04945	41.7
119.08572	2.1
120.05281	1.3
121.02914	3.6
121.06515	3.1
121.10151	2.1
123.04439	2.3
123.11704	0.8
125.02366	1.7
125.05995	2.3
125.09646	1.2
127.03917	3.0
129.03404	0.8
129.04411	0.8
129.07001	1.2
131.04926	1.8
131.08537	1.9
132.02065	2.1
133.02818	2.2
133.06500	2.0
133.10133	1.9
135.04431	15.3
135.08046	1.4
135.44380	0.7
137.05998	1.7
137.09673	0.9
143.08562	1.2
145.02864	1.9
145.06467	1.5
145.10117	1.4
147.04413	45.5
147.08122	0.9
147.11658	0.9
148.04852	1.1
149.02342	2.2
149.05977	3.1
150.03189	0.8
151.03926	2.0
151.07591	1.8
153.01848	7.8
153.05473	2.6
155.08629	0.8
157.03989	3.9
157.10114	1.8
159.11725	1.2
161.05995	2.2
161.09612	0.9
163.03944	2.1
164.04636	2.0
165.01860	11.2
165.05515	1.6
167.07076	4.9
171.02896	2.2
171.04399	1.2
171.11662	1.6
173.05992	1.2
173.09544	0.8
175.03912	59.4
176.04439	1.1
177.01762	5.0
177.05469	4.6
178.05016	1.6
179.03419	1.0
179.07059	2.9
181.04987	4.7
183.02902	11.4
189.05518	2.0
191.03397	3.0
191.07013	1.7
191.10667	0.8
192.04114	0.9
193.04948	2.0
193.08704	1.0
194.68591	0.8
195.02895	34.1
203.03363	5.4
205.01312	1.1
206.04463	1.2
207.06534	100.0
208.06886	2.5
209.08069	1.8
213.04033	2.3
217.04974	7.6
219.02899	4.1
221.04430	5.3
225.07518	1.0
227.03371	0.8
235.06113	0.9
245.04474	28.7
255.13699	1.0
257.04437	1.0
263.05515	46.0
271.06046	2.8
273.07550	3.3
281.06616	1.7
285.07571	6.7
297.07480	3.6
300.05035	0.8
315.08539	6.7
317.06702	4.3
323.09222	2.1
325.06979	1.1
339.08664	2.2
353.12195	3.2
365.10208	13.7
383.11212	12.8
383.15677	1.2
385.12631	0.9
416.14453	3.0
429.98251	0.9
437.12259	2.6
463.19601	1.0
505.12955	0.9
589.35327	0.8
625.18933	4.0
625.28247	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.4
53.03933	1.2
55.01869	1.2
55.05511	1.0
57.03423	1.9
59.04989	0.6
62.91169	0.4
63.25591	0.5
64.85633	0.4
65.03937	2.1
67.05486	1.8
68.99773	1.8
69.03432	18.2
69.07066	1.0
69.31915	4.1
70.06587	0.6
71.04981	1.0
77.03924	0.9
79.05491	2.7
81.03413	4.0
81.07053	2.2
83.04980	1.9
83.08587	0.5
84.08133	0.5
85.02901	7.5
89.02446	0.4
89.03896	0.9
91.05482	27.6
93.07035	1.5
95.04960	2.0
95.08589	1.1
97.02875	1.2
97.06535	0.8
99.04418	1.6
103.05473	1.6
105.03391	1.8
105.07030	2.5
105.65440	0.4
107.04948	5.7
107.08597	0.9
109.02875	2.2
109.06511	1.1
109.10155	1.2
111.00822	0.7
111.04462	2.6
115.05463	1.6
117.03404	0.4
117.07024	2.6
118.04169	0.7
119.04945	40.4
119.08639	1.1
121.02841	2.3
121.06513	1.8
121.10096	0.5
121.88377	0.4
123.04417	1.1
123.08079	0.7
125.02347	1.3
125.05975	1.4
127.03915	2.0
128.06239	0.5
129.03339	0.5
129.06990	0.8
131.04906	1.4
132.02060	1.9
133.02866	1.1
133.06476	1.6
133.10054	0.8
135.04425	10.3
135.11688	0.5
137.02322	0.5
141.01833	0.7
145.02849	1.6
145.06543	3.1
145.10165	1.0
147.04413	39.0
147.11746	0.6
148.04880	0.5
149.02338	2.4
149.05965	1.6
151.03917	0.9
153.01849	5.2
153.05486	2.7
157.03984	3.0
157.10114	0.5
159.04384	1.0
159.11668	0.9
161.05978	1.8
162.03064	0.5
162.05493	1.4
163.03920	1.2
164.04672	1.3
165.01836	12.7
165.05466	0.7
167.03410	1.2
167.07051	3.6
167.08357	0.5
171.02890	1.7
171.04349	1.0
173.05974	1.6
173.09537	0.6
175.03909	52.2
176.04425	1.2
177.01846	4.5
177.05490	4.3
179.03413	0.8
179.07033	2.5
181.01332	0.5
181.04936	1.9
183.02901	7.5
189.01854	0.6
189.05478	3.0
191.03407	3.0
191.07031	1.0
191.25562	0.5
192.04146	1.3
193.01392	1.2
193.04984	1.8
193.08624	0.6
195.02895	36.1
196.03233	1.0
197.00839	1.1
203.03395	4.3
205.01340	1.8
205.08594	0.6
207.06529	100.0
208.06841	1.7
211.07710	0.5
213.03876	1.0
217.04974	8.6
219.02901	4.0
219.06558	1.3
221.04503	3.3
221.08070	1.0
229.08760	0.4
231.06664	0.7
235.06036	1.7
237.03816	1.1
245.04457	21.2
249.07533	5.4
257.04346	0.5
257.08173	0.5
260.05640	0.7
263.05502	25.4
271.06125	0.7
273.07645	3.9
281.06635	1.6
285.04279	0.7
285.07587	4.3
287.05484	1.6
297.07574	2.9
300.96161	0.5
311.11179	1.1
315.08597	8.8
317.06650	4.2
317.10086	0.9
323.09061	2.1
325.06866	0.7
335.11273	1.2
338.47778	0.4
339.08612	2.3
353.12326	2.4
365.10153	10.7
366.10272	0.5
383.11377	8.6
401.08179	0.7
401.12741	0.6
416.14691	0.7
437.12363	5.3
463.14880	0.7
469.10684	0.6
479.13220	0.9
487.12360	0.9
503.13290	0.8
505.13580	0.7
625.17871	2.8
625.28046	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1761
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
50.37838	0.1
53.03932	0.4
55.01851	0.2
55.05497	0.4
55.53523	0.1
57.03435	2.1
61.02918	0.7
65.03919	0.3
69.03429	1.3
70.06577	0.3
71.01348	0.2
71.04990	12.3
73.02905	0.6
75.04471	0.6
81.03399	0.7
83.04976	1.0
84.90604	0.1
85.02902	17.1
87.04458	0.5
91.03916	0.3
92.02620	0.4
93.03413	0.5
95.04987	0.2
97.02888	1.1
99.04446	0.5
100.11253	0.3
103.03906	0.2
105.06992	0.2
109.02885	0.4
111.00800	0.2
111.04443	0.5
121.02869	0.6
127.03905	1.1
129.05473	3.5
137.02310	0.2
139.03888	0.9
145.04944	0.7
147.06497	1.0
151.03871	0.7
153.01823	5.9
163.03845	0.2
165.01826	0.6
173.06013	0.2
177.05524	0.3
182.15466	0.3
183.02962	0.2
201.05490	0.6
203.03381	0.3
209.16550	0.2
210.14857	0.4
217.05051	0.5
218.05756	0.3
228.04155	0.6
229.04959	2.4
231.02890	0.3
245.04417	0.9
246.05293	1.4
248.83325	0.2
251.27727	0.2
257.04398	2.3
260.03229	0.4
261.07803	0.2
271.06107	0.3
273.03854	1.4
274.04697	3.8
284.03146	0.6
285.03925	3.5
286.04584	0.2
288.06305	0.3
301.07104	0.4
302.04202	11.3
317.06543	100.0
318.07013	1.1
343.08212	0.2
359.07608	0.4
419.93839	0.2
479.11508	0.3
625.42743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1757
Annotation	PROTOPORPHYRIN IX CONTAINING ZN
Peak:m/z	Relative Intensity
55.01857	3.9
57.03428	4.0
57.31635	2.2
57.67731	2.2
58.16639	2.1
61.02932	3.5
68.99748	2.6
69.03427	2.7
69.57733	8.1
69.58151	8.3
70.06586	9.5
71.04980	2.2
72.08133	3.3
77.81298	2.4
80.47910	2.4
81.03418	2.8
81.07036	2.8
84.08134	3.1
85.02908	12.4
91.05487	2.7
92.55172	2.2
93.07040	2.7
93.37652	2.6
97.02894	3.5
107.04961	2.8
109.02882	4.1
116.07123	3.3
120.08101	2.7
121.02822	4.9
127.03870	4.3
137.02274	8.5
147.04373	2.6
149.06015	5.9
151.03914	28.3
159.04582	2.6
175.03784	3.9
177.20132	2.4
178.32289	2.2
179.03406	3.5
187.03935	3.3
188.04692	2.2
189.01790	6.3
191.03441	3.5
195.02936	5.8
201.01837	2.5
203.03409	7.0
207.02881	7.9
213.98372	2.3
215.64407	2.4
217.04979	5.7
219.02827	7.0
221.04546	2.5
245.55777	2.7
255.02768	3.1
267.06650	2.5
286.08377	2.6
297.07602	4.3
298.04843	3.7
298.08209	3.7
301.07071	6.6
308.06897	2.8
309.07376	3.7
310.04712	11.5
310.08167	4.6
311.05600	3.1
312.06464	5.2
313.07098	8.1
317.06537	3.3
320.07004	2.8
322.04730	10.3
322.08194	3.6
323.05435	5.5
323.09152	2.6
324.06335	15.7
325.07074	82.6
326.07925	5.6
327.08542	5.9
334.08524	3.4
336.06305	10.6
337.07114	44.5
338.07724	15.9
339.08536	11.5
340.05600	5.7
343.07956	6.8
349.07034	4.5
350.07886	5.7
351.08786	23.1
352.05658	7.4
352.09470	7.0
353.10172	2.9
355.08136	100.0
362.07941	3.7
363.08627	9.9
365.10220	15.4
366.07309	9.6
367.08051	55.5
375.08435	3.5
377.10120	8.7
379.08090	40.8
381.09607	24.2
385.09149	23.9
391.08084	18.5
393.09668	5.3
395.11526	11.3
403.07916	5.3
405.09814	13.0
409.09183	60.9
415.07999	2.7
419.11221	3.4
421.09143	32.6
422.09329	2.9
433.09296	19.7
439.10251	43.0
445.10187	3.8
451.10196	22.9
457.11334	41.6
463.10629	3.0
469.11389	39.9
475.10855	7.5
487.12354	91.0
493.11261	5.3
505.13446	18.0
511.12408	26.8
523.12274	5.1
529.13550	22.9
535.12207	8.1
541.13586	20.1
553.13684	23.0
559.14020	10.4
571.14496	31.1
589.15613	26.9
607.16620	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	625.1765
Annotation	Isorhamnetin-3-Glucoside-4'-Glucoside
Peak:m/z	Relative Intensity
53.03920	0.8
55.01853	1.0
55.05495	0.5
57.03405	1.2
61.02892	1.4
67.05476	1.5
69.03428	6.0
69.07041	0.5
70.06589	4.3
71.04950	0.7
71.25799	0.9
72.08134	0.7
73.02894	0.8
79.01824	0.5
79.05463	1.0
81.03418	2.9
81.07034	1.9
81.40680	0.4
83.04955	1.2
84.08129	1.0
85.02906	14.6
85.06508	0.7
86.09675	1.4
87.00816	0.6
87.04433	0.7
91.05449	1.5
93.07013	1.5
95.04948	1.5
95.08640	2.0
97.02895	4.1
99.04429	1.1
101.05970	0.4
103.03926	1.0
105.03367	0.5
105.06973	1.2
107.04932	0.8
107.08569	1.0
109.02892	3.8
109.10130	1.0
119.04887	0.7
119.08532	0.5
120.08062	0.8
121.02802	1.2
121.06513	0.9
121.10094	0.8
123.04391	0.6
123.08134	0.5
124.21410	0.4
125.05972	0.6
127.03917	3.9
131.04854	0.5
131.08572	0.6
133.02887	0.5
133.10104	0.4
135.04431	0.4
135.11688	0.5
136.07544	0.4
137.01537	0.4
137.02361	4.2
137.05902	0.9
139.03874	0.4
140.10732	0.5
145.02785	0.7
145.04984	2.6
147.04388	1.4
149.05966	2.1
151.03909	8.8
151.05031	0.5
154.06104	0.4
163.03847	0.5
165.01801	1.7
167.03448	0.8
171.02814	0.6
175.03851	1.4
177.01836	1.3
177.05458	1.2
178.08618	0.4
181.01254	0.6
183.02914	1.8
187.04028	0.5
189.05409	0.5
192.04121	0.7
193.04944	0.6
195.02859	4.8
205.04970	0.6
207.06485	1.6
216.04176	0.6
217.04944	2.5
219.02798	0.5
226.06297	0.5
233.04153	0.4
235.05701	0.6
241.05005	0.9
241.08595	0.5
243.02734	1.2
243.06488	2.3
244.07352	0.8
254.05833	0.4
258.05289	2.6
259.06158	1.1
261.03891	1.5
269.07999	0.7
270.05255	1.3
271.05939	1.4
272.06808	2.6
273.07584	0.9
277.06943	0.4
282.05258	2.4
283.05923	1.0
285.07581	1.4
286.04703	6.6
286.08334	1.8
287.05469	0.8
295.05975	0.8
295.17270	0.4
296.06754	1.8
297.07462	2.7
298.04715	9.6
298.07843	0.9
299.05481	2.4
300.06284	6.4
301.07065	32.5
302.07599	0.4
309.07660	0.8
310.04807	5.3
310.08206	0.8
311.05536	5.2
311.08963	0.7
312.06308	3.9
313.07065	44.2
314.07822	12.7
315.08530	0.9
317.06534	1.5
322.04941	0.5
323.05469	0.5
324.06284	3.8
325.07056	16.5
326.07697	0.7
327.05054	0.7
327.08649	6.6
328.05774	16.9
329.06302	0.6
337.06940	1.4
338.04211	0.8
338.07825	4.5
339.08636	3.8
340.05847	1.2
341.06583	1.8
343.08130	100.0
344.08313	1.3
351.04861	0.6
352.05893	2.0
353.06461	0.8
353.10245	6.8
355.07941	2.3
357.09512	1.2
367.08124	19.6
373.09216	3.9
377.06393	0.5
379.08115	1.2
381.09637	4.0
385.09183	1.9
397.09216	6.8
408.30719	0.6
409.09201	6.7
427.10245	15.8
445.11313	18.9
463.12354	81.1
464.12790	0.7
505.13403	5.4
625.17389	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	625.1762
Annotation	Isoscoparin 4'-O-glucoside
Peak:m/z	Relative Intensity
53.03909	1.0
55.01825	1.3
55.05484	0.5
57.03387	1.3
61.02883	1.3
67.05453	1.2
69.03427	5.6
69.07003	0.7
69.60474	3.0
70.06545	1.7
71.04956	0.9
71.93878	0.5
72.08114	0.8
73.02880	0.5
81.03418	3.3
81.07004	1.2
83.04935	1.2
84.04460	0.4
84.08106	0.7
85.02908	11.0
86.09682	0.8
87.04422	0.8
91.03898	0.5
91.05422	0.9
93.06975	0.9
95.04952	0.9
95.08557	0.9
95.34835	0.4
97.02881	4.4
99.04420	1.0
103.03878	0.5
105.06975	0.6
107.08569	0.5
109.02883	3.5
109.06479	0.6
109.10138	1.0
119.08537	0.8
121.02824	1.0
121.10117	0.9
123.11625	0.6
125.09538	0.5
125.30055	0.4
127.03899	2.1
133.02812	0.4
135.04373	0.5
135.11655	0.5
137.05914	0.4
141.01782	0.6
145.02811	0.5
145.04933	0.9
147.04352	0.6
147.11626	0.5
149.02248	1.0
149.05910	1.9
151.02913	0.4
151.03900	4.6
153.01830	0.5
163.03880	0.7
164.29564	0.4
165.00536	0.6
165.01814	5.8
167.03413	2.3
175.03818	1.8
177.01761	1.1
177.05469	0.6
183.02907	2.9
191.03444	0.7
195.02867	2.7
197.15382	0.7
203.17796	0.5
205.04932	0.6
207.02876	0.7
207.06450	0.6
233.04510	0.5
243.02902	0.7
243.06401	0.6
254.05632	0.7
258.05270	0.8
261.03891	1.0
269.08182	0.6
270.05304	1.4
270.15549	0.4
271.06024	2.3
272.06744	0.8
282.05267	4.5
285.07700	0.7
286.04620	2.4
287.05383	0.5
292.07266	0.8
296.06802	6.7
297.07568	3.9
298.04718	12.2
299.05386	1.2
300.06287	5.9
301.07068	13.5
302.07495	0.4
308.06705	0.8
309.07474	1.1
310.04669	5.1
310.08392	2.6
311.09061	4.5
312.06491	0.9
313.07053	75.9
314.07751	5.9
317.06534	1.4
320.06952	1.3
321.07620	0.7
324.02673	0.8
324.06302	10.3
325.07114	8.7
325.10764	1.3
326.07391	0.5
327.08478	2.5
328.05771	19.5
329.06482	0.6
335.09073	1.3
336.06348	1.3
337.07053	1.7
338.07831	4.9
339.04956	1.5
339.08630	15.8
341.06177	0.5
343.08121	100.0
344.08368	2.2
348.06235	2.5
351.08636	1.8
352.05716	1.2
353.06561	0.8
353.10196	12.0
355.07950	0.6
363.08548	3.1
364.05807	1.4
366.07391	1.1
367.08115	41.6
368.08411	1.1
376.05624	1.3
379.08148	10.0
381.09760	3.1
391.08090	6.6
394.06772	2.1
397.09195	26.4
409.09192	16.7
421.09232	0.7
427.04330	0.5
427.10266	19.9
445.11301	33.2
446.11847	0.7
463.12335	31.2
464.12485	0.8
625.17072	0.7
625.26251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
55.01863	3.0
55.05513	7.9
56.05017	3.6
57.03427	1.6
60.04514	2.3
65.03931	1.2
67.05505	22.3
68.05031	1.6
69.03427	9.6
69.07073	8.6
70.06593	9.2
71.04992	5.2
71.51843	0.9
72.08123	1.5
77.03883	1.4
79.05076	1.4
79.05495	17.9
80.05008	3.8
81.03426	8.0
81.05792	1.9
81.06596	1.4
81.07056	27.3
82.06577	4.5
83.04956	2.8
83.06074	0.9
83.08614	3.8
84.08123	2.2
85.02896	7.8
85.06537	5.0
86.00645	1.3
86.06058	1.2
86.09701	1.6
87.00823	1.3
87.04443	3.5
91.05479	11.4
93.06480	1.8
93.07043	30.0
94.06568	21.2
95.04982	5.8
95.06094	7.2
95.08604	32.0
96.04486	1.1
96.08109	3.6
97.02895	5.0
97.06522	7.8
99.04442	2.6
103.05462	2.0
105.03378	2.9
105.06396	1.4
105.07030	17.2
106.06537	1.1
107.04941	1.8
107.07314	3.2
107.08585	7.1
109.02901	4.9
109.06496	2.6
109.10150	8.9
110.09693	9.7
111.08084	15.2
111.11705	1.0
113.05901	1.1
113.09628	1.2
116.07058	1.4
119.04961	4.5
119.08586	5.3
120.08132	1.5
121.02847	2.0
121.06493	1.7
121.10127	9.2
122.02740	1.3
122.09671	34.6
123.08066	30.4
123.11700	5.5
125.09601	1.6
127.03920	7.0
128.07085	6.9
128.09807	1.7
128.10719	31.1
131.04887	1.5
131.08591	1.4
132.01146	2.1
133.02856	3.2
133.06488	1.8
133.10085	2.5
134.05959	1.5
135.08076	1.4
135.11696	5.4
136.07587	1.1
137.05974	1.6
138.09161	1.5
139.11183	1.1
140.10701	100.0
141.09091	16.7
141.10938	1.1
143.08482	1.9
145.04964	2.3
145.06396	1.0
145.10118	3.1
147.04401	5.2
147.11713	2.2
149.09613	2.3
149.13261	2.5
151.03828	2.4
153.01830	2.9
153.05405	1.0
155.08670	1.5
158.11772	6.5
159.11650	2.2
161.02333	1.4
161.05925	1.2
161.13266	1.9
162.05481	1.0
163.11211	0.9
167.06990	2.9
173.13272	1.6
175.03854	3.9
177.05475	2.3
177.12511	0.9
177.16403	1.3
178.09750	1.4
193.03471	1.1
193.04953	4.9
198.11288	0.9
201.16386	1.2
205.19516	2.7
207.06505	6.5
208.06808	1.6
216.81319	1.0
223.20503	2.2
255.11057	1.1
255.13785	1.2
268.22659	4.5
270.15292	1.5
271.06015	22.4
281.07889	1.0
286.23755	4.5
287.05392	1.7
287.23907	1.2
294.24149	1.7
301.07083	2.0
317.06555	6.1
318.06961	6.4
332.13342	1.3
358.20581	1.2
360.28854	1.8
378.30038	4.8
390.30002	7.5
396.30905	1.3
408.31085	67.8
409.31311	3.6
426.32166	62.9
427.32483	2.1
444.33435	8.1
520.21466	1.8
580.29584	2.3
624.29584	5.2
625.28668	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	624.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01866	3.2
55.05510	5.8
56.05029	3.5
57.03424	2.4
60.04515	3.4
67.05505	19.9
68.05028	1.8
69.03437	7.7
69.07068	7.2
69.33668	8.0
70.06600	10.9
71.04986	5.9
72.08157	2.1
77.03924	1.1
79.05492	18.0
80.05009	3.2
81.03415	7.4
81.05796	2.0
81.07052	21.7
82.06577	5.9
83.04968	3.1
83.08617	3.3
84.08137	2.8
85.02898	8.5
85.06545	5.0
86.00603	1.1
86.09700	2.1
87.00842	0.8
87.04463	3.8
91.05471	10.5
93.07040	28.9
94.06567	18.5
94.07256	1.1
95.04974	6.8
95.06084	6.5
95.08606	32.3
96.08128	3.5
96.08873	0.8
97.02893	3.9
97.06524	8.3
97.10154	2.1
98.21527	1.8
99.04471	2.4
99.08959	0.8
100.04714	0.8
103.05473	2.2
105.03392	2.2
105.04490	1.3
105.07027	16.1
105.07693	1.4
106.06534	1.0
107.04948	1.7
107.07326	3.5
107.08585	5.9
107.37848	0.9
109.02884	5.6
109.06533	2.0
109.10146	7.4
110.07166	1.1
110.09697	9.6
111.04433	1.4
111.08085	13.8
112.08702	1.0
116.07074	1.2
117.06970	1.7
119.04944	2.7
119.08559	4.0
120.08148	2.1
121.02850	1.9
121.06512	1.8
121.10153	8.0
122.09669	37.1
123.08067	31.0
123.11715	5.9
125.09679	1.7
127.03924	6.7
128.07074	6.3
128.10712	28.3
130.08618	1.0
131.04880	1.2
131.08578	2.0
132.01173	1.4
133.02808	1.8
133.06508	1.4
133.10124	2.9
134.06073	1.2
135.04466	1.1
135.08043	2.2
135.11665	5.0
137.06001	2.0
138.09084	1.2
139.11208	1.1
140.10701	100.0
141.09109	15.2
141.11035	1.4
142.12306	1.3
145.02899	1.0
145.05003	1.6
145.06473	1.1
145.10184	2.2
147.04379	3.8
147.11691	2.3
148.11153	0.9
149.05980	1.3
149.09610	1.1
149.13274	2.7
151.03883	1.9
152.10649	0.9
153.01808	2.5
157.10098	1.0
158.11760	8.0
159.11728	1.5
160.43553	0.8
161.02196	1.0
164.07083	0.9
167.07022	2.1
173.09540	1.1
173.13269	1.0
175.03915	4.2
175.07510	1.1
176.04211	0.9
176.07045	1.0
177.05522	1.8
178.04993	1.0
178.09668	1.0
185.13216	1.1
193.04883	4.3
198.11252	1.2
205.19563	2.6
207.06557	7.6
208.06831	1.8
215.10651	1.2
223.20578	1.6
250.21646	1.0
267.06262	0.9
268.22711	3.4
271.06027	21.1
274.12820	1.0
284.22235	1.1
286.23712	4.2
287.05505	1.4
301.06967	2.6
303.04932	1.4
305.24734	1.1
312.25348	1.7
317.06491	3.7
318.06723	5.0
360.29089	1.5
372.29059	1.1
378.30051	5.6
390.30048	7.8
396.16595	1.1
396.30988	1.8
408.31073	66.0
409.31448	2.8
418.19312	1.0
426.32153	59.9
427.32291	3.1
442.63327	1.0
444.33267	6.3
580.29681	1.9
624.30255	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	624.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
53.54697	2.1
55.01863	2.5
55.05510	18.1
57.03431	3.0
57.07068	9.8
59.04998	6.6
65.03925	2.4
67.05501	27.6
69.03428	14.9
69.07069	42.3
70.06613	15.5
71.01359	3.3
71.04993	20.3
71.53521	2.9
71.53889	2.7
72.08167	3.7
79.05497	31.8
81.03413	9.4
81.07057	88.1
82.06587	3.3
83.04969	9.1
83.08614	9.5
84.08152	4.7
85.02902	14.9
85.06551	4.5
86.09702	4.4
87.00798	3.3
89.03970	2.0
91.05469	19.4
92.73519	2.2
93.06483	4.7
93.07048	70.9
93.07632	3.9
94.06605	3.3
95.04978	12.0
95.08610	56.5
97.02897	6.1
97.05986	2.6
97.06548	10.0
97.10152	5.7
98.31361	2.3
99.04451	5.2
105.01833	4.3
105.03410	3.0
105.07036	30.6
107.04957	4.8
107.08588	55.1
109.02884	7.3
109.06506	6.9
109.09399	2.6
109.10150	40.9
110.07122	2.5
110.09669	4.8
111.08051	5.1
111.11710	6.7
117.07010	4.8
119.04962	2.7
119.08586	24.2
121.02907	3.5
121.06502	3.2
121.10144	100.0
123.08127	4.8
123.11710	62.4
125.05990	8.7
125.09540	3.0
125.88849	2.0
127.03907	8.4
127.65346	2.0
128.07100	7.2
129.06943	3.3
129.10175	1.9
131.04878	2.1
131.08548	4.0
133.02837	2.8
133.06511	3.0
133.10141	11.8
135.04390	2.3
135.11687	37.1
136.07600	4.8
137.05956	2.7
137.09621	5.6
137.13237	8.3
138.09061	3.2
139.11188	9.0
145.10118	15.3
147.04434	4.4
147.11699	16.3
149.09604	4.1
149.13248	9.1
151.07503	2.9
151.11223	5.0
153.12752	14.0
157.10129	4.8
159.11676	6.0
161.05989	2.9
161.13272	5.3
162.05522	25.1
163.11182	20.5
164.07024	2.7
165.12726	6.7
166.08607	3.4
167.07071	2.9
169.12289	2.6
173.13258	6.0
175.03911	6.4
175.14894	3.3
177.05505	3.7
181.04942	3.2
181.12236	27.9
187.06255	2.9
187.13263	2.7
187.14900	3.3
189.16431	3.0
193.15831	3.1
199.13258	4.0
203.18010	3.6
207.06537	8.3
213.16458	5.0
215.17976	2.6
219.06543	2.6
229.19627	2.4
230.08113	10.0
242.05836	2.3
249.10258	5.1
255.14034	2.5
258.07687	26.4
269.22583	8.9
271.06039	5.9
272.06467	3.2
277.09424	3.1
285.07562	10.3
287.05545	4.6
287.23694	28.3
290.23868	2.1
293.24716	6.6
302.06665	6.6
305.24765	65.6
317.06567	5.5
323.25827	56.8
342.12341	3.3
353.09879	2.8
382.11749	3.3
384.13638	3.2
385.14526	2.9
398.14944	7.4
400.16763	3.7
426.14316	6.2
428.16119	4.5
454.13901	16.2
460.15045	2.8
472.15079	41.8
607.21942	4.5
624.35596	8.5
625.22803	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	624.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.2
55.05515	17.1
57.03428	3.8
57.07066	7.7
59.73723	3.4
67.05495	25.6
68.86533	3.8
69.03420	15.6
69.07069	41.1
70.06593	17.8
71.04984	22.5
71.52976	3.5
71.53334	5.6
72.08160	3.9
73.02902	3.9
79.05499	32.6
79.51591	2.8
81.03418	8.6
81.07061	94.0
82.06574	4.3
83.04964	11.2
83.08606	9.4
84.08160	4.5
85.02901	16.3
85.06565	7.0
86.09707	4.2
91.05471	28.6
93.07042	70.7
94.06577	5.1
94.19865	3.1
95.04993	10.1
95.08610	58.7
97.06545	12.1
97.10159	5.5
99.04431	3.8
99.08136	3.5
99.29941	3.5
101.07078	3.6
103.18629	4.0
105.03402	7.8
105.07040	30.4
107.08582	53.4
108.08126	4.2
109.02896	7.3
109.06509	11.8
109.10162	39.1
110.09676	4.2
111.11708	7.5
119.04924	8.7
119.08575	30.4
120.08114	6.3
121.02860	5.6
121.06499	8.1
121.10140	100.0
123.11710	57.1
125.05975	3.7
127.03906	8.7
128.07132	9.2
131.08551	6.2
133.10112	19.1
135.08109	3.6
135.11673	41.2
137.06017	6.3
137.09587	8.0
139.11127	6.5
143.08589	3.9
145.10118	16.2
147.04401	6.4
147.11688	17.8
149.05972	3.7
149.13303	9.6
151.03993	4.9
151.11165	6.4
153.01807	4.6
153.12746	8.4
159.11682	6.9
160.07762	3.4
161.13274	4.2
162.05490	20.2
163.11194	20.2
163.14845	4.3
165.12738	6.6
167.07126	6.2
169.12215	3.6
173.09660	4.0
173.13243	6.8
175.03938	5.9
175.14859	5.1
177.05476	4.6
177.12694	4.0
181.04993	4.7
181.12276	28.8
187.14786	4.4
189.16423	4.4
207.06535	17.6
215.10715	3.5
229.19638	4.7
230.08075	4.8
238.14626	3.3
249.10300	7.4
258.07687	25.3
261.22055	4.7
269.22644	8.8
271.06076	8.4
272.06458	7.1
275.23624	4.4
285.07611	15.6
287.05380	4.5
287.23636	31.6
293.25201	6.9
300.06189	7.3
301.06793	3.9
302.06720	7.5
305.24802	52.8
315.08566	5.7
316.08908	6.9
317.06473	7.9
323.25797	38.8
342.16144	4.3
370.15543	4.5
382.11887	4.8
384.13242	5.0
426.14517	9.6
428.15665	4.9
452.20743	3.9
454.13934	15.9
472.14929	44.4
542.76483	3.7
580.30408	4.6
624.35156	16.3
625.23260	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	623.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.5
55.01867	3.1
55.05511	18.8
57.03429	8.2
59.04984	2.1
60.22975	1.5
61.02931	32.3
65.03940	3.1
67.05508	34.6
67.52940	2.3
68.50140	1.3
69.03423	5.8
69.07072	16.6
71.04975	3.8
71.26375	2.6
72.98996	1.4
73.02911	6.3
79.05493	29.4
79.73961	1.4
81.03405	5.6
81.07057	38.0
81.47219	1.4
81.75594	1.6
83.04968	3.3
83.08651	10.1
85.02906	22.8
91.03952	13.5
91.05476	44.0
93.07050	26.3
95.04981	6.0
95.08611	23.3
97.02902	16.0
97.06529	5.8
97.10177	3.8
99.04441	3.0
103.05408	3.2
105.07030	30.1
107.04943	6.2
107.08585	12.3
109.06516	4.3
109.10148	8.8
111.08097	3.9
115.03944	2.0
115.05450	6.1
117.07015	26.3
119.08573	17.3
121.06517	5.8
121.10146	13.9
123.08078	4.5
123.11700	2.2
125.09669	1.7
127.03908	6.6
128.06238	5.2
129.07007	29.7
130.07648	1.8
131.04929	2.0
131.08569	39.3
133.06500	5.7
133.10156	14.2
135.08136	3.9
135.11711	4.5
137.09645	3.1
139.11179	2.1
141.07005	12.6
142.07776	2.5
143.08562	27.9
145.04898	2.1
145.06485	6.3
145.10133	16.4
147.08060	5.8
147.11674	5.1
149.09613	7.2
151.11229	2.1
153.06923	3.5
154.07732	2.9
155.08548	19.2
157.06444	2.8
157.10083	15.5
159.08115	3.0
159.11688	10.7
161.09666	4.2
163.11168	3.4
165.07018	2.6
166.07692	2.3
167.08595	11.1
168.09267	2.1
169.10121	15.8
171.08037	4.0
171.11670	9.3
173.09665	3.2
173.13336	2.7
175.09746	1.7
175.11218	4.1
175.14839	2.1
177.12793	3.9
179.08554	3.5
180.09369	1.9
181.10135	12.6
183.11688	11.4
185.09656	2.3
185.13219	7.9
187.11104	2.7
187.14796	4.0
189.12811	2.4
191.08563	1.9
193.10129	6.1
195.11766	11.3
195.13422	1.7
197.09602	4.0
197.13268	9.5
199.14851	3.9
201.12779	2.5
203.14384	1.8
205.10205	1.6
205.12181	2.1
206.10880	2.1
207.11725	5.8
209.13298	9.0
211.11134	2.9
211.14850	4.6
213.12851	2.7
213.16409	2.4
215.14359	8.7
216.36078	1.7
217.10197	1.7
217.15868	1.8
219.11681	2.3
221.13309	9.3
223.14902	6.0
225.12843	3.0
225.16354	3.1
229.16008	2.3
231.13853	2.2
233.13240	2.0
235.14842	7.0
237.12798	1.9
237.16460	3.0
239.14195	3.6
241.15955	4.9
253.15958	4.0
255.13809	2.3
257.15421	3.7
271.16937	6.6
275.16287	2.0
305.22589	2.2
315.21008	3.5
322.77942	1.6
323.23621	6.1
333.22144	14.4
341.24750	7.0
351.23184	43.5
352.23297	2.3
369.24249	35.6
387.25262	19.8
407.25726	2.6
425.26846	8.7
433.29462	3.5
443.27936	100.0
444.28412	5.4
461.28970	72.8
462.29355	3.2
623.13458	3.5
623.34015	3.4
624.14020	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	623.2864
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
51.74911	0.7
65.32642	0.7
67.05509	0.9
67.28384	0.8
69.88941	3.3
81.07083	1.0
85.07684	0.9
91.05450	0.8
93.07046	0.8
103.08726	1.1
161.28864	0.7
166.08461	1.4
223.12148	0.8
389.17435	0.9
403.19260	0.9
405.20901	1.3
413.17603	1.0
414.18466	1.4
415.19336	2.1
416.20599	1.2
419.22498	0.8
427.19064	1.2
428.19992	1.4
429.20856	6.0
433.19467	1.6
433.24283	2.2
443.22684	4.4
444.23199	2.7
445.19641	1.4
447.21628	2.7
448.22055	2.0
449.23080	1.8
457.24652	1.5
458.24631	2.2
459.21255	3.6
460.22406	2.1
461.23282	2.9
462.20563	2.5
471.21973	1.2
472.22839	3.4
473.23410	2.8
474.19922	0.9
475.21060	2.6
476.21393	4.0
477.22934	3.6
485.23517	5.6
486.24551	1.5
487.25446	4.1
489.22012	1.6
503.24319	3.0
517.26245	3.4
531.23627	4.9
535.26001	1.4
536.23822	1.3
545.25507	44.9
546.26117	2.2
563.26093	19.5
577.28644	1.0
605.27472	2.8
621.34216	0.9
623.28522	100.0
624.28809	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	623.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01870	4.5
55.05518	16.2
57.03423	6.8
61.02920	12.0
67.05508	27.1
69.03441	11.1
69.07078	9.3
69.07372	1.5
69.22923	6.6
69.23351	10.0
70.06583	2.8
71.04975	3.5
73.02915	4.2
77.53394	1.5
79.05498	23.1
81.03420	18.1
81.07059	30.6
83.04966	7.1
83.08611	7.8
85.02908	15.7
85.06562	2.7
91.03977	4.1
91.05477	26.3
93.07050	25.0
95.04960	11.8
95.08620	13.7
97.02888	10.5
97.06548	3.6
97.10165	7.4
99.04458	1.9
103.05458	2.4
105.03392	4.2
105.07030	23.3
106.93494	1.6
107.04971	8.7
107.08595	15.4
109.02856	3.6
109.06513	4.6
109.10158	9.8
111.08095	2.3
115.05471	1.8
117.07015	12.0
119.04925	2.3
119.08579	11.6
121.06522	7.9
121.10131	7.8
123.04369	2.9
123.08037	3.1
123.11745	2.3
125.06012	1.6
125.09628	6.6
127.03934	5.1
128.06190	2.5
129.07025	12.9
131.04886	2.8
131.08560	15.7
133.06479	6.2
133.10132	9.4
135.08038	5.0
135.11688	3.7
137.09631	2.6
141.06992	4.2
143.08559	8.1
145.06471	9.8
145.10129	9.6
147.08032	7.6
147.11697	6.3
149.09621	2.7
149.13182	3.1
151.11253	3.4
155.08536	6.1
157.06506	3.8
157.10159	8.1
159.08083	3.8
159.11705	5.4
161.09665	2.0
163.11142	3.7
167.08542	5.4
171.08034	3.4
171.11723	4.1
173.09531	2.7
173.13301	2.5
173.53870	1.9
175.11172	4.1
181.10176	2.5
181.87735	1.7
183.11699	2.9
185.09529	2.9
185.13176	3.8
187.11128	3.3
191.10870	1.7
193.10231	2.3
193.12291	3.0
197.13197	2.5
201.12738	2.5
206.04469	2.6
211.11243	2.1
211.13234	3.3
213.12627	1.9
217.15903	2.4
226.63130	1.6
227.12607	2.2
231.13892	2.1
239.14474	2.2
257.15195	3.8
267.16074	2.2
273.14996	2.1
275.16110	2.0
282.07541	2.4
341.24692	2.4
342.64490	1.7
351.23163	4.3
369.24188	19.1
387.25546	8.5
405.26465	1.7
407.93814	1.7
411.25104	3.2
417.26096	3.6
425.26941	2.3
439.26920	2.1
443.27930	33.5
444.28357	2.2
461.28995	100.0
462.29297	2.4
467.28653	2.2
485.29001	7.2
503.29941	9.4
527.29810	1.9
551.29639	5.6
569.30841	2.6
587.31812	3.7
605.32971	5.0
623.34375	10.3
628.21490	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
62.04023	0.3
64.59461	0.3
67.05492	1.0
69.07063	0.4
71.44581	0.6
71.44898	0.4
79.05476	0.4
81.07056	1.3
91.05481	0.7
93.07038	0.7
95.04969	0.6
95.08624	0.9
95.83616	0.3
105.07028	0.6
107.08581	0.6
109.10171	0.6
117.06979	0.4
119.08577	1.1
121.10081	0.3
126.54882	0.4
131.08601	0.3
133.10129	1.0
147.11642	0.4
159.11652	0.5
162.10643	0.4
187.14848	0.4
270.48944	0.3
289.18094	1.0
389.17667	0.9
391.19119	0.8
401.17676	0.8
402.18503	0.7
403.19370	1.1
404.20120	0.6
405.16342	0.4
405.20889	1.1
406.21463	0.6
407.22461	0.9
415.19498	0.5
416.19907	0.9
417.16309	0.6
417.20844	1.3
418.17355	0.6
419.17392	0.5
419.22897	3.0
420.23120	1.1
429.16348	0.5
429.21405	0.4
430.17639	0.9
431.17746	2.7
432.18994	0.7
433.20187	4.6
434.20886	0.5
435.22156	0.5
443.18417	1.7
444.19342	1.3
445.19702	4.5
446.21063	3.1
447.21973	4.8
448.22769	1.5
449.23450	1.0
457.20215	0.8
458.20944	5.4
459.21747	5.1
460.22711	3.9
461.19504	0.8
462.20319	0.5
463.21436	2.0
472.22760	0.7
473.23453	1.7
475.21323	1.1
476.22009	1.5
477.22897	1.8
478.22852	0.4
485.23581	0.5
486.24603	0.5
487.24942	1.0
489.23541	0.4
491.24524	0.6
503.24707	0.7
504.25647	0.4
505.22275	1.1
517.21851	0.6
518.23163	4.0
519.23822	0.5
521.21973	1.3
530.23389	0.6
531.23456	0.8
532.24445	1.1
533.25500	6.6
534.25818	0.6
535.27362	1.9
545.25769	3.2
546.26160	1.5
563.26544	7.7
564.26740	0.7
573.25171	1.0
577.27484	0.5
591.25787	0.4
605.27454	9.8
606.28113	0.8
623.28583	100.0
624.28894	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	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06972	0.4
59.57401	0.6
66.26311	0.4
70.10565	1.8
77.19818	0.4
131.51355	0.5
134.21941	0.5
211.99457	0.5
262.87497	0.5
294.90247	0.5
377.17648	0.8
390.18820	1.2
391.19257	0.8
403.15173	1.0
403.19949	0.6
404.16052	0.9
404.20932	0.6
405.21078	3.2
414.18594	0.7
415.19489	1.0
416.19888	0.9
418.17920	0.8
419.18579	1.5
420.23669	0.7
421.24274	0.8
429.20914	2.6
431.22919	0.5
433.20053	3.7
435.22192	0.5
443.22253	1.5
444.23300	1.5
447.17743	6.6
448.23242	2.4
449.23358	2.2
452.22171	0.5
458.24649	0.8
459.21359	2.7
460.22543	2.2
461.19385	8.5
462.20444	0.9
463.21088	0.9
472.22681	1.4
473.23520	1.1
475.21054	1.0
476.22046	20.3
477.22720	3.4
479.20889	0.9
485.23508	2.5
486.24109	0.6
487.24982	1.8
489.18512	0.7
503.24429	2.0
515.24518	1.1
517.26404	0.7
519.24316	1.6
531.23950	3.7
536.23676	1.0
545.25513	10.4
549.25085	1.4
559.22986	0.7
563.26440	7.2
564.26624	0.9
591.26367	4.2
605.27686	2.7
623.28607	100.0
624.29071	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	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98916	0.4
55.01866	0.6
55.05503	1.2
57.07061	0.4
67.05502	1.6
68.72297	0.3
69.07068	0.9
71.62070	0.3
72.24931	0.3
79.05495	1.5
81.03458	0.3
81.07062	1.4
83.08639	0.6
83.67326	0.3
88.00510	0.4
91.05493	1.5
93.07047	1.3
95.08615	1.0
105.07053	1.3
107.04935	0.5
107.08616	1.0
109.10163	0.7
119.08577	0.8
121.46320	0.3
129.86716	0.4
131.08621	0.6
133.10149	0.9
134.06041	0.6
145.10155	0.7
147.11720	0.5
152.07022	0.4
157.10130	0.4
209.10652	0.4
237.10344	0.4
267.57074	0.4
268.07080	2.5
269.07886	1.6
275.20172	1.4
310.07129	0.4
337.14285	1.4
353.13660	1.0
387.16254	0.4
389.17719	1.2
390.18536	0.4
401.17679	0.6
402.18619	1.1
403.19467	1.8
404.20187	1.2
405.20920	1.6
415.19327	1.3
416.20459	0.7
417.16910	1.4
417.21918	2.2
419.22522	4.3
420.23260	0.6
429.17029	1.1
430.17621	1.0
431.18771	2.9
431.22964	1.7
432.18912	2.1
433.20459	2.2
435.21448	0.5
442.18100	0.5
443.18359	3.2
444.19504	1.4
445.20108	8.1
446.20840	5.1
447.22079	5.4
448.22861	0.6
449.23517	1.3
457.20224	1.2
458.21191	1.0
459.21628	3.1
461.19833	1.1
462.20239	1.8
463.21124	2.1
473.23389	0.9
475.21509	1.5
476.21927	4.6
477.22858	5.9
478.23706	0.7
485.39261	0.4
489.23074	2.3
490.23761	0.8
491.20834	1.1
501.23520	0.5
503.24530	0.6
504.25482	0.5
505.22983	0.8
508.25040	0.6
521.22400	1.5
531.24756	0.4
533.25537	14.9
534.26135	0.7
535.23596	1.3
545.25183	1.6
554.15533	4.5
555.16431	1.7
563.26514	16.0
564.26740	1.4
577.24866	0.6
593.27753	3.9
594.26257	0.5
605.26398	0.8
623.28705	100.0
624.28998	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	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60888	0.9
54.96021	0.9
62.94050	0.9
69.21568	2.8
69.21986	7.5
82.35716	1.0
92.12019	1.0
105.59504	1.0
315.47156	1.0
374.46655	1.1
377.17947	1.2
390.18576	1.1
391.19150	3.7
392.20126	2.8
393.20764	1.6
399.16180	1.1
400.16840	1.6
401.17365	2.3
404.20584	1.6
405.20752	4.3
406.21686	3.8
407.22266	11.5
414.18741	1.8
415.19241	2.9
419.22623	1.5
420.23065	1.9
421.23816	11.6
422.24734	3.3
427.19223	1.4
428.20142	2.8
429.20856	10.5
430.21484	2.6
433.24179	2.8
443.22461	6.1
444.23361	5.0
445.20160	2.2
447.18250	2.8
456.19308	1.2
457.23825	4.5
458.25064	8.5
459.21640	8.8
460.22495	3.1
461.18765	4.5
462.20572	1.6
470.20914	1.2
471.22238	1.7
472.22562	11.2
473.23444	3.6
475.20999	6.5
476.21643	7.5
477.22458	4.5
478.23843	1.1
485.23386	18.6
486.20044	2.9
486.24271	3.9
487.25400	1.6
488.22134	2.9
489.22885	3.5
490.23611	1.7
493.26132	1.5
499.21243	5.0
500.22037	3.1
502.23907	2.3
503.24551	11.7
504.24930	1.3
508.28317	2.1
513.23035	4.3
514.23645	2.4
517.26312	10.8
529.26245	2.4
531.23541	2.1
535.27234	6.8
545.25488	100.0
546.25793	6.7
558.22424	1.3
562.25824	2.1
564.27209	2.7
573.24976	26.4
574.25348	1.6
584.57391	1.3
591.26074	1.9
605.27576	95.4
606.27496	8.0
623.28650	85.0
624.29065	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	623.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66328	1.1
69.22720	2.5
69.23138	9.1
82.09219	1.0
96.96661	1.0
109.10132	0.9
145.23511	0.9
153.95613	1.0
223.12019	1.0
237.13792	1.5
257.44052	1.3
341.44162	1.1
389.18747	1.4
390.18585	1.7
391.19354	3.1
400.16974	1.2
403.19604	1.6
404.16064	2.0
404.20923	2.1
405.20877	6.0
414.18234	1.4
415.19406	2.2
416.20129	1.6
418.17633	2.6
419.18723	3.9
420.23462	2.5
429.20868	4.4
430.21695	1.5
433.20001	5.5
443.22440	1.7
444.23441	2.3
445.24673	1.4
447.17493	10.4
448.22736	4.9
449.23361	3.4
452.21652	1.3
456.78265	1.1
457.23956	2.4
458.24829	1.5
459.22064	4.4
460.22662	4.2
461.19315	17.3
462.20026	1.6
463.20776	1.3
465.23105	1.1
472.22888	2.7
473.23770	2.0
475.21451	4.2
476.21957	26.9
477.22772	4.4
485.23932	5.2
487.25256	2.2
489.22916	1.4
490.23618	1.7
503.24625	5.1
515.24329	3.7
519.24060	1.9
521.25525	3.5
531.23950	7.8
535.23193	1.4
536.23822	2.2
545.25336	13.6
549.24792	5.2
559.23444	1.9
563.26715	8.1
591.26050	10.7
605.27930	1.4
623.28564	100.0
624.28949	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	623.2497
Annotation	Kadangustin C
Peak:m/z	Relative Intensity
53.29601	0.8
54.57644	0.8
55.05505	1.3
67.05504	1.1
69.07076	1.0
69.34493	2.4
69.34911	3.8
70.27933	0.5
79.05479	2.1
80.07112	0.7
81.07041	1.8
87.35706	0.6
91.05473	2.1
95.08602	1.4
97.48106	0.7
97.55786	0.6
105.07010	1.6
107.08598	0.7
119.08585	1.0
131.08507	0.8
133.10150	1.0
145.10126	1.0
149.09604	0.8
157.10188	0.7
191.14122	0.7
197.35396	0.7
224.00853	2.4
227.03197	2.3
262.37762	0.7
269.07846	2.1
275.20129	0.9
277.09467	0.7
281.71851	0.7
309.07349	0.8
315.94540	0.7
362.15582	0.8
377.17502	1.6
379.11414	3.3
390.18991	0.9
391.19293	2.6
392.20050	1.6
393.20581	1.2
400.16949	0.7
401.17822	2.0
403.19443	1.1
405.21182	0.8
407.22342	2.7
413.17496	0.8
414.18405	1.2
415.19501	3.5
416.20148	1.1
419.18561	1.2
421.20313	1.5
428.20212	1.4
429.21353	1.3
430.21768	1.0
431.18671	1.5
432.19653	0.8
433.16135	0.9
439.18802	1.0
441.17087	0.9
443.23129	1.1
444.19315	1.6
445.20642	0.7
447.18243	2.1
448.18600	0.8
456.19577	0.8
456.51041	0.8
458.21317	1.5
459.18198	1.4
461.19415	3.2
462.20377	1.3
463.21545	2.1
471.21796	3.4
473.19287	3.3
474.20474	2.2
475.21039	2.6
479.24600	0.9
485.19861	2.4
486.20850	1.9
489.17889	1.1
489.22751	3.7
490.19464	3.5
491.21036	2.5
499.21326	8.1
501.23428	3.1
502.20377	1.3
503.20953	4.1
507.23795	1.7
508.23956	1.0
513.19647	3.0
514.19830	1.0
516.21991	1.0
517.22449	12.0
521.21680	1.0
527.21045	1.8
529.22260	5.6
531.20441	2.8
535.23700	2.5
545.21802	20.9
554.15338	0.9
555.16595	2.6
563.23438	1.2
564.23895	2.0
573.21405	5.7
577.24310	2.8
591.22644	3.0
595.25293	1.4
605.23956	43.0
623.24829	100.0
624.25116	3.5
642.40430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93798	0.6
55.01862	0.7
55.05503	2.5
60.16546	0.6
62.11220	0.7
67.05489	5.7
67.79102	0.7
69.07058	2.2
69.55910	4.2
72.14932	0.7
79.05504	4.2
81.03407	1.2
81.07051	4.2
83.05012	0.8
83.08604	1.0
91.05499	3.6
93.07047	2.3
95.04988	1.2
95.08599	3.0
97.10173	1.7
97.93360	0.6
105.07011	3.7
106.80473	0.7
107.08607	3.2
109.10146	0.9
115.05371	0.7
117.07018	1.2
119.08572	1.8
121.10120	0.9
125.09639	1.2
129.07037	1.3
131.08597	2.1
133.10138	1.2
135.08015	0.7
143.08560	1.8
145.10126	2.2
147.08167	0.7
147.11707	1.3
149.09579	0.7
155.08624	0.8
157.10068	1.1
159.11681	1.3
166.08521	1.0
169.10222	1.0
171.11668	1.1
173.09654	0.8
177.12782	0.7
183.11731	0.9
187.32613	0.7
195.11771	1.0
225.13797	1.1
241.01195	0.8
268.07156	1.5
269.07919	0.9
275.20316	1.1
291.19586	1.3
309.07437	2.2
337.14407	0.9
375.16776	0.9
376.16956	1.5
377.17636	3.2
378.18463	1.7
379.17014	0.7
385.14722	1.4
386.16144	1.2
387.16138	1.6
388.17764	1.0
389.18033	1.0
390.18695	1.4
391.19308	3.5
392.19995	2.7
393.20752	2.2
399.16135	2.4
400.17084	2.5
401.17679	5.2
402.18381	1.6
403.19510	1.5
405.16586	1.4
405.21133	1.8
407.22473	4.2
413.17691	3.5
414.18451	2.0
415.19397	6.6
416.20132	2.2
417.21179	1.6
419.18713	2.2
419.23114	1.4
420.19608	1.1
421.20178	2.2
427.19412	1.4
428.20206	4.5
429.21378	3.7
430.21503	2.8
431.18597	1.1
433.16190	1.8
435.21887	3.2
441.17227	0.9
442.17667	0.8
443.17545	1.5
443.22415	4.1
444.19363	5.1
445.20139	2.6
446.21133	1.7
447.17285	3.9
448.18637	1.8
449.19733	2.3
451.12946	0.9
451.62607	0.7
456.19464	2.1
457.20325	2.5
458.20978	2.9
459.17447	1.6
460.18631	0.9
461.19724	2.4
462.20602	2.6
463.21225	2.4
469.08917	1.0
471.22330	10.1
472.18945	3.2
473.19217	5.6
474.20538	2.9
475.22229	3.8
476.18213	3.2
477.18961	0.9
484.19501	1.7
485.19763	3.7
486.20407	5.5
489.23734	8.1
490.19241	5.1
491.20239	3.8
499.21283	19.2
500.18701	2.3
501.23315	7.3
502.20309	2.0
503.20728	6.1
507.23914	2.3
511.21378	1.3
513.19324	2.5
514.20154	2.1
516.21594	1.5
517.22321	16.1
518.23138	1.4
527.20801	2.9
529.22363	13.1
535.23492	4.9
545.21808	52.6
546.21985	1.7
554.15448	1.7
555.19958	1.5
563.22815	4.6
564.23657	2.9
573.12604	0.6
573.21295	16.8
577.24658	1.1
591.22351	1.4
595.25085	1.5
605.23932	99.3
606.24054	2.1
623.24921	100.0
623.42761	7.3
624.24817	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1602
Annotation	6-Hydroxyluteolin 3'-methyl ether 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
53.03946	1.8
55.01876	0.5
57.03421	0.7
61.02915	1.0
69.03429	5.4
69.25439	0.5
69.25848	2.0
70.16943	0.2
71.05003	1.5
73.02908	1.5
76.41951	0.2
81.03419	6.9
83.04971	0.3
85.02906	13.4
86.09713	0.3
87.04469	0.5
92.02621	0.5
93.03412	0.8
94.66140	0.3
95.04974	0.4
97.02892	10.1
99.04457	9.4
99.05112	0.5
103.03944	10.4
109.02882	6.0
110.07191	0.3
111.04431	0.3
115.03941	0.3
121.02845	1.1
126.03178	0.3
127.03916	21.6
128.07076	0.4
139.03912	0.8
145.04959	8.4
151.03896	0.8
153.01839	4.9
163.05974	1.4
165.01891	0.5
169.04929	0.5
187.06036	2.4
199.06056	0.5
201.05473	0.4
205.07036	0.4
207.06599	0.3
217.05057	0.5
217.07079	0.2
218.05756	0.5
228.04211	1.0
229.04956	2.8
231.02734	0.3
245.04529	0.9
246.05267	1.6
257.04425	2.2
260.03134	0.3
261.07437	0.3
264.36789	0.2
271.08099	0.9
273.03900	0.9
274.04706	3.5
284.03174	0.5
285.03958	3.4
302.04208	10.8
317.06555	100.0
318.06805	2.7
329.06552	0.4
341.06674	0.6
359.07620	2.3
383.07700	0.5
425.08591	0.8
443.09686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
58.83587	0.9
67.05477	1.0
70.03196	1.9
70.03608	2.8
81.07069	1.7
95.08600	1.6
98.21474	1.0
117.10285	0.9
162.81990	1.0
213.00880	1.1
225.30688	0.9
389.17758	2.7
390.18683	1.6
401.17557	1.3
402.18546	1.9
403.19321	4.5
404.19971	2.8
405.21283	1.1
415.19669	1.8
417.20844	3.9
419.22382	6.1
431.18845	3.4
431.23505	1.7
445.20511	3.8
446.21112	3.2
447.21860	6.4
459.18420	3.8
460.18716	1.2
461.19830	2.4
473.23856	1.3
474.20303	8.1
475.21478	12.0
487.21478	3.2
491.23724	1.1
501.23114	3.9
505.25903	1.2
533.25769	9.7
561.16241	1.7
561.24976	32.4
589.24353	1.6
593.28760	1.2
621.27142	100.0
622.27655	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2704
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
56.69329	0.4
71.24798	0.4
79.05516	0.5
80.64462	0.4
81.07071	0.4
82.83943	0.4
95.08633	0.5
105.03389	0.7
149.25853	0.4
160.60574	0.4
174.70036	0.4
186.08870	0.4
220.10179	0.4
223.12349	0.4
310.13647	0.4
374.15503	0.5
375.16071	1.2
387.16418	0.6
388.17032	1.1
389.17456	2.9
390.18484	1.1
391.19293	0.8
401.17844	1.1
402.18631	1.2
403.19556	4.3
404.20038	1.8
405.20776	1.5
415.19699	0.8
416.16309	1.7
417.16150	3.7
417.21173	2.2
418.17233	0.7
419.22433	6.4
430.18100	1.6
431.18027	6.3
432.19061	2.1
433.20007	2.7
444.19937	0.6
445.20142	5.9
446.20914	5.8
447.21817	9.8
459.21841	1.9
460.19028	1.3
461.19775	1.4
473.19186	0.9
473.24200	1.1
474.20239	5.7
475.21283	7.8
477.23251	0.6
487.21262	2.3
488.21698	0.8
491.20502	0.7
501.22986	1.7
505.25854	1.5
518.23059	0.7
529.22070	0.7
533.25500	14.1
561.24982	22.3
562.25421	1.1
565.28027	0.5
589.24139	1.3
593.27502	3.6
621.27075	100.0
622.27228	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	621.2702
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
69.20032	3.1
73.10417	0.3
98.20718	0.8
106.06544	0.3
109.59469	0.3
195.09178	0.4
208.10001	0.5
208.95966	0.3
221.10800	0.6
222.11533	0.4
223.12448	0.3
226.67662	0.3
272.99484	0.3
311.13971	0.4
312.85861	0.3
322.68073	0.4
322.71667	0.4
324.15146	0.4
326.12897	0.5
348.36066	0.3
373.14362	0.4
374.15491	1.3
375.15945	1.9
376.17630	0.4
386.16144	0.4
387.16083	1.6
388.16812	1.7
389.17654	4.5
390.18506	2.1
391.19275	1.1
401.17935	1.6
402.14172	0.6
402.18909	2.5
403.19498	7.1
404.20236	3.4
405.20810	3.4
415.14825	0.7
415.19446	1.3
416.15460	1.8
416.20584	1.1
417.16147	5.9
417.21109	3.8
418.17758	1.5
418.21899	1.1
419.22363	8.9
420.22971	1.1
429.16998	1.0
430.17197	1.8
431.18164	11.2
431.23636	0.8
432.19055	3.8
433.20129	3.5
443.18823	0.9
444.19769	1.1
445.20111	8.5
446.21100	6.2
446.26715	0.5
447.21814	9.1
458.21054	0.6
459.21838	2.9
460.18433	0.6
461.19965	1.0
462.20575	0.5
469.21063	0.4
473.19229	0.9
473.24170	0.9
474.20316	5.1
475.21289	7.3
487.21347	3.1
488.22430	0.7
490.23920	0.5
491.20868	1.3
501.22946	1.4
505.26245	1.2
519.20734	0.7
529.22339	0.5
533.25500	12.9
534.25317	0.4
546.22467	1.0
561.24976	18.2
562.25287	0.8
589.24335	1.1
593.27563	3.5
621.27063	100.0
622.27417	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	621.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00151	0.5
56.92702	0.5
71.46518	0.7
79.31181	0.5
111.38942	0.5
129.41714	0.5
164.68465	0.6
206.13602	0.5
209.10518	1.0
281.39255	0.6
373.14532	0.6
374.15164	0.8
375.16107	1.2
386.16153	0.6
387.16354	0.9
388.16623	2.2
389.17657	4.0
390.18301	2.3
391.19073	1.0
401.18060	1.4
402.18399	2.3
403.15494	0.8
403.19388	7.8
404.20285	2.9
405.20657	2.2
415.19537	0.9
416.16071	1.7
416.20477	1.3
417.16913	4.5
417.20938	3.6
418.21716	1.5
419.17883	0.8
419.22473	7.9
420.22708	0.9
430.17230	1.1
431.18152	10.2
431.23544	0.9
432.19513	2.6
433.20303	2.3
443.18723	1.4
444.18817	0.8
445.20200	7.9
445.25357	0.5
446.20834	4.1
447.21805	10.0
458.21127	0.8
459.17749	1.9
459.22192	2.3
461.19614	1.6
473.19205	1.5
474.20367	8.7
475.21255	12.5
487.21347	4.7
488.21625	1.3
501.22668	1.5
505.26151	1.7
518.23059	0.9
529.22858	1.2
533.25433	9.1
561.24963	85.3
562.25464	2.9
581.91797	0.7
589.24524	2.9
593.27673	4.0
621.27075	100.0
622.27173	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	620.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.5
67.05499	14.1
69.03447	4.6
69.07071	7.4
69.39787	8.8
69.40205	28.1
70.31444	4.0
76.69649	3.8
79.05486	15.1
81.07063	51.1
91.05462	10.8
93.07034	11.0
95.08612	6.1
97.58471	4.4
105.07040	15.3
107.08601	13.7
109.06517	16.6
109.10172	6.5
111.08116	4.7
117.07014	4.8
118.93485	4.3
119.08577	18.6
121.10164	7.7
123.77792	3.8
127.86113	4.5
129.06999	4.0
131.08562	13.1
133.10115	12.5
135.08031	7.0
135.11673	4.5
143.08566	8.5
145.10132	19.5
147.11707	11.1
149.09642	9.2
155.08534	4.8
157.10150	19.0
159.11630	20.5
161.09595	11.1
163.11195	5.1
169.10139	8.1
171.11710	9.9
173.02280	6.5
173.13304	8.0
175.03868	7.6
181.10162	5.0
183.11732	10.4
184.05267	4.0
185.13248	10.4
187.14915	5.5
189.12926	4.6
191.10921	4.9
197.13275	9.4
199.11124	4.7
199.14810	12.4
201.12746	7.5
201.16452	7.0
203.03381	13.5
207.11803	5.0
209.13277	7.8
213.12782	5.2
218.02063	4.3
221.13274	5.3
223.14844	5.5
225.16446	6.7
227.14127	4.6
231.02914	31.2
233.04521	12.4
243.17461	6.4
245.15413	6.1
259.14206	5.2
309.22269	6.8
317.10089	6.4
341.24847	5.0
351.23157	12.0
367.22491	5.1
369.24194	8.9
393.24121	5.2
411.25357	37.4
429.25299	5.3
471.27472	100.0
501.32059	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	620.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01865	1.2
55.05507	4.4
56.05030	0.6
57.03422	1.8
57.07064	0.5
60.04517	0.7
61.02911	0.8
61.06581	0.5
62.06064	0.7
67.05500	4.3
67.11651	0.5
69.03439	3.4
69.07070	6.6
69.30128	2.2
69.30558	2.6
70.06599	4.2
71.04987	1.6
71.07369	0.8
72.08146	3.3
73.02915	0.8
79.05502	4.6
81.03398	2.4
81.07062	11.0
82.06561	0.8
83.04972	1.7
83.08605	1.4
84.04501	0.9
84.08130	1.5
84.67053	0.5
85.02906	5.9
85.06527	2.1
86.06068	32.7
86.09715	1.0
87.06389	0.6
91.05474	7.0
93.07047	4.5
95.04977	2.7
95.08640	3.2
96.08134	4.8
97.02908	2.9
97.06532	5.0
98.06034	1.3
98.09690	8.2
99.04449	2.1
99.08022	0.9
100.07647	1.0
103.05494	0.7
105.03380	0.8
105.07024	6.1
105.22086	0.6
107.04946	1.1
107.08588	2.4
108.08171	2.8
108.08784	0.6
109.02859	1.4
109.06541	2.6
109.10130	1.2
110.07133	0.6
110.09684	1.4
111.08113	1.0
112.07589	0.5
114.09155	1.1
115.07560	2.3
116.10733	67.8
119.04934	2.9
119.08596	5.3
120.08112	0.6
121.02850	0.9
121.06541	0.9
121.10144	2.8
122.09675	1.6
123.08098	1.1
123.11692	2.1
124.07578	1.1
125.09713	0.6
126.09184	0.9
127.03896	2.6
127.07526	0.6
128.07062	1.5
129.07011	2.2
131.08543	1.8
133.10074	2.8
134.09665	0.5
134.98154	0.5
135.08052	1.1
140.10722	1.2
142.07718	0.7
142.08641	5.2
145.02878	1.0
145.06514	0.7
145.10107	1.8
147.04430	3.3
147.08018	1.2
147.11691	10.3
149.09644	0.7
151.03860	0.6
152.10704	0.8
157.10101	3.9
158.11734	0.7
159.11713	1.2
163.11154	0.6
165.12805	3.0
167.07028	1.1
173.09628	1.3
175.03908	4.1
175.11215	5.0
177.05469	1.3
178.05042	0.8
193.12236	2.4
202.04793	0.6
206.04510	1.2
207.06541	7.2
212.16464	2.7
215.10750	0.6
229.14394	1.6
230.17557	0.6
252.12233	0.9
255.15862	1.0
266.21118	0.7
271.06049	7.3
287.05713	0.6
288.08636	0.7
289.08997	1.2
290.21103	0.8
308.22186	5.3
326.23257	25.0
327.23489	0.7
329.75781	0.5
344.24313	100.0
345.24680	2.3
395.12555	0.8
440.29913	2.9
458.31186	4.4
488.28473	1.5
506.29730	13.8
556.89642	0.6
602.35516	1.5
620.20563	0.7
620.35901	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	620.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01863	1.6
55.05510	4.3
56.05015	1.1
57.03424	1.4
60.04507	0.8
61.02926	0.7
62.80232	0.6
67.05515	5.2
69.03431	4.7
69.07075	7.6
70.06595	21.8
71.04984	2.2
71.06951	0.6
71.07330	0.6
71.32761	0.9
71.33093	0.6
72.08167	4.3
73.02892	0.8
79.05478	4.8
81.03427	3.4
81.07059	11.6
81.33056	0.6
82.06568	0.7
82.07370	0.7
83.04975	2.4
83.36816	0.6
84.04493	0.8
84.08141	1.9
84.35799	0.6
85.02914	6.1
85.06538	1.7
86.00645	1.0
86.06071	29.9
86.09702	1.7
87.04443	0.8
91.05486	7.7
92.05797	0.7
93.07051	4.8
95.04965	2.6
95.08614	4.1
96.08149	4.3
97.02885	2.9
97.06525	4.0
98.06065	1.5
98.09692	8.8
99.04449	2.2
105.03393	5.0
105.07027	6.6
107.04922	1.4
107.08611	4.3
108.08112	2.4
109.02855	2.0
109.06506	2.6
109.10139	3.1
110.09683	1.0
111.04437	1.0
111.08047	0.9
112.07596	0.9
113.05997	0.8
114.09089	1.5
115.07584	3.0
116.07099	32.8
116.10733	61.1
117.07031	0.8
119.04978	1.6
119.08574	5.9
121.06490	1.7
121.10127	2.5
122.09638	1.4
123.04366	0.8
123.08052	1.3
123.11687	3.2
124.07575	2.0
125.05990	0.8
125.09653	0.7
126.09164	1.5
127.03905	2.1
127.07527	0.6
129.06981	1.7
131.08543	1.7
133.10139	3.8
135.04404	1.0
135.11681	0.8
136.07565	0.7
136.11211	0.7
137.06087	0.7
137.09628	1.0
137.13319	0.7
139.11153	0.7
140.10687	1.3
141.07045	0.5
142.07768	0.7
142.08670	5.8
145.06473	0.8
145.10121	1.4
146.06018	0.6
147.04414	2.2
147.10637	1.0
147.11708	9.6
149.09633	1.2
151.03975	0.8
152.07100	0.7
152.10640	0.8
154.08553	1.0
157.10136	3.6
158.11771	1.1
159.11699	1.0
161.09631	0.6
162.05484	0.8
165.12738	2.7
167.07095	1.2
173.09666	1.3
175.03911	3.0
175.11180	3.2
177.05469	1.3
178.04971	0.8
191.03523	0.8
193.12239	2.1
198.09262	1.2
206.04515	1.6
207.02190	1.1
207.06554	3.8
208.06868	1.0
210.09175	0.7
211.09782	0.7
212.16458	1.3
215.10628	0.7
216.10245	1.2
217.04424	1.6
221.69273	0.6
228.10220	0.9
229.14401	1.8
230.11856	1.2
233.03862	1.2
239.00473	0.6
255.15988	0.8
257.08188	1.5
271.05914	1.1
282.14810	1.0
285.07559	0.9
300.15970	1.8
308.22275	5.0
318.16956	2.9
326.23254	20.9
327.23553	1.0
336.06381	1.2
336.18079	2.4
344.24316	100.0
345.24640	2.4
354.19135	3.8
363.02930	0.6
422.28867	0.7
440.30057	2.7
458.17557	8.8
458.31064	4.5
506.29636	14.6
584.38007	1.2
602.35803	0.9
620.25354	0.7
620.35419	1.6
621.25897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01867	1.5
55.05503	3.9
67.05496	4.9
69.03083	1.4
69.03429	18.6
69.07062	4.2
70.06570	5.0
71.04985	5.4
71.53085	1.4
73.98473	1.1
74.57475	1.0
74.94008	1.0
79.05478	7.8
79.93995	1.0
81.03429	9.1
81.07067	9.2
83.04987	2.8
84.04502	1.2
85.02893	4.2
85.06548	1.5
86.06042	3.3
86.09692	1.7
87.04467	1.2
91.05476	10.2
93.07043	6.3
95.04989	5.9
95.08605	3.8
96.08113	1.1
96.92973	1.2
97.02895	3.3
97.06516	3.9
97.10175	1.3
99.04470	5.6
101.06042	1.0
103.05420	2.3
105.03381	2.4
105.07030	69.6
107.04945	2.8
107.08591	5.5
108.70442	1.0
109.02880	4.2
109.06488	2.2
109.10145	1.9
111.04436	1.7
113.05969	1.3
115.05417	2.0
116.10714	3.4
117.07026	10.7
119.04921	2.0
119.08604	8.3
121.02777	1.5
121.06522	6.3
121.10130	1.6
123.08068	2.5
125.05972	4.3
127.03905	4.3
128.06232	2.6
128.07080	2.6
129.07008	2.8
130.07782	4.0
131.04889	1.4
131.08566	15.8
133.06497	14.1
133.10124	9.9
135.04407	2.2
135.08000	1.8
135.11684	2.2
137.05978	2.7
137.09573	1.6
141.06995	2.4
143.06984	1.5
143.08621	6.4
143.10683	1.9
144.09326	4.4
145.06464	4.7
145.10121	100.0
147.04407	1.7
147.08064	2.2
147.11700	2.9
149.06018	2.4
149.09541	1.2
151.07489	1.8
154.07712	2.2
155.08537	3.7
157.10146	2.1
158.07272	6.5
159.08038	6.4
159.11696	40.4
161.09621	8.7
163.07521	2.9
163.11090	1.5
165.09106	1.8
167.07018	1.3
169.10106	7.7
171.11678	1.1
172.08774	2.0
173.09624	44.2
175.03874	2.3
176.07025	1.5
187.11171	32.0
189.12749	3.9
191.10663	2.4
197.09569	7.0
205.12241	98.3
207.06497	1.4
210.63988	1.2
215.10667	84.7
233.11725	41.9
251.12750	5.2
259.09689	1.1
271.06039	1.9
274.07120	2.1
286.07068	1.8
288.08582	2.0
299.05521	2.2
300.05746	1.7
309.13345	3.7
319.11679	5.0
319.22571	1.8
324.08615	3.2
337.12817	14.2
354.13290	6.3
355.13745	3.4
372.14536	2.1
388.19620	2.4
454.64291	1.1
481.16953	3.9
486.26700	1.5
499.18121	6.7
522.25146	3.4
602.33722	1.4
620.33600	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	620.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01867	1.5
55.05503	3.9
67.05496	4.9
69.03083	1.4
69.03429	18.6
69.07062	4.2
70.06570	5.0
71.04985	5.4
71.53085	1.4
73.98473	1.1
74.57475	1.0
74.94008	1.0
79.05478	7.8
79.93995	1.0
81.03429	9.1
81.07067	9.2
83.04987	2.8
84.04502	1.2
85.02893	4.2
85.06548	1.5
86.06042	3.3
86.09692	1.7
87.04467	1.2
91.05476	10.2
93.07043	6.3
95.04989	5.9
95.08605	3.8
96.08113	1.1
96.92973	1.2
97.02895	3.3
97.06516	3.9
97.10175	1.3
99.04470	5.6
101.06042	1.0
103.05420	2.3
105.03381	2.4
105.07030	69.6
107.04945	2.8
107.08591	5.5
108.70442	1.0
109.02880	4.2
109.06488	2.2
109.10145	1.9
111.04436	1.7
113.05969	1.3
115.05417	2.0
116.10714	3.4
117.07026	10.7
119.04921	2.0
119.08604	8.3
121.02777	1.5
121.06522	6.3
121.10130	1.6
123.08068	2.5
125.05972	4.3
127.03905	4.3
128.06232	2.6
128.07080	2.6
129.07008	2.8
130.07782	4.0
131.04889	1.4
131.08566	15.8
133.06497	14.1
133.10124	9.9
135.04407	2.2
135.08000	1.8
135.11684	2.2
137.05978	2.7
137.09573	1.6
141.06995	2.4
143.06984	1.5
143.08621	6.4
143.10683	1.9
144.09326	4.4
145.06464	4.7
145.10121	100.0
147.04407	1.7
147.08064	2.2
147.11700	2.9
149.06018	2.4
149.09541	1.2
151.07489	1.8
154.07712	2.2
155.08537	3.7
157.10146	2.1
158.07272	6.5
159.08038	6.4
159.11696	40.4
161.09621	8.7
163.07521	2.9
163.11090	1.5
165.09106	1.8
167.07018	1.3
169.10106	7.7
171.11678	1.1
172.08774	2.0
173.09624	44.2
175.03874	2.3
176.07025	1.5
187.11171	32.0
189.12749	3.9
191.10663	2.4
197.09569	7.0
205.12241	98.3
207.06497	1.4
210.63988	1.2
215.10667	84.7
233.11725	41.9
251.12750	5.2
259.09689	1.1
271.06039	1.9
274.07120	2.1
286.07068	1.8
288.08582	2.0
299.05521	2.2
300.05746	1.7
309.13345	3.7
319.11679	5.0
319.22571	1.8
324.08615	3.2
337.12817	14.2
354.13290	6.3
355.13745	3.4
372.14536	2.1
388.19620	2.4
454.64291	1.1
481.16953	3.9
486.26700	1.5
499.18121	6.7
522.25146	3.4
602.33722	1.4
620.33600	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	619.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34663	3.0
53.03944	19.9
55.01865	5.7
55.05513	18.5
57.03479	3.2
57.07089	5.4
59.05012	3.1
65.03934	4.1
67.05507	48.1
69.03414	3.6
69.07072	42.3
70.66183	10.8
71.04990	9.2
79.05491	45.4
81.03415	57.4
81.07056	66.7
83.04978	29.5
83.08620	7.9
85.06524	8.0
91.05478	43.9
93.07041	57.4
93.90063	3.1
95.04967	96.7
95.08054	5.6
95.08604	59.2
97.02934	3.6
97.06522	13.9
99.08099	3.6
101.06010	6.4
105.07029	80.2
107.04937	4.2
107.08595	65.4
109.06513	20.0
109.10151	43.2
111.08084	9.1
115.05499	4.8
117.06998	15.6
119.08578	81.2
121.06513	12.0
121.10146	61.7
123.08070	12.2
123.11704	24.8
128.06232	9.9
129.07008	17.2
131.08563	49.4
133.06514	4.5
133.10127	59.7
135.08064	13.4
135.11684	34.6
137.05922	5.0
137.13251	9.9
139.07568	5.9
141.06946	7.0
142.07800	10.0
143.08559	40.6
144.09375	4.1
145.06442	5.8
145.10126	68.1
147.08035	7.2
147.11682	31.7
149.09647	8.9
149.13240	10.4
151.11179	31.7
155.08563	19.8
156.09372	10.3
157.10136	38.0
158.10904	3.9
159.08086	7.3
159.11705	43.9
159.81992	3.4
161.09631	10.7
161.13251	18.6
163.11252	4.1
163.14832	9.5
167.08551	6.5
169.10181	17.6
169.12270	4.4
170.10910	6.6
171.11687	25.2
173.09622	8.8
173.13266	49.9
175.11188	11.6
175.14828	26.4
177.16388	21.3
179.08566	4.2
181.10141	11.4
183.11613	23.5
184.12480	3.7
185.13240	25.1
187.14807	35.1
189.12773	3.9
189.16393	29.0
193.10170	4.5
195.11673	12.7
197.13232	17.7
199.11082	4.9
199.14833	22.6
201.12744	7.8
201.16376	32.5
203.14357	7.4
203.17943	9.9
205.12343	4.7
209.13338	10.1
211.14809	15.2
213.12683	7.2
213.16438	7.0
215.14331	8.7
215.18002	7.0
217.15884	5.7
221.13264	3.7
223.14824	6.5
225.16414	10.7
227.14429	4.5
227.17998	10.6
229.15837	9.1
229.19427	8.1
231.13892	8.9
233.15480	7.5
235.14990	5.1
239.17953	6.7
241.15825	3.9
241.19568	6.5
243.13789	3.3
243.21037	5.5
245.15416	8.1
247.16972	11.2
249.16455	8.1
251.17999	5.9
253.19397	6.4
255.21034	7.5
257.22501	3.9
263.17969	4.7
264.18536	3.4
267.21063	5.1
277.19513	4.2
279.21127	6.0
291.20987	4.7
293.19421	3.8
293.22656	9.7
295.21063	4.2
295.24200	19.7
297.18558	8.6
311.23746	9.0
313.25208	4.6
319.23993	7.3
321.25967	3.6
323.20142	4.0
337.25290	10.4
351.26746	4.2
355.22617	3.5
363.26959	4.8
393.27765	4.4
397.28741	3.7
405.31583	7.3
415.29816	17.3
423.32635	9.4
433.30966	63.0
451.32092	84.4
601.42358	10.7
619.34021	6.5
619.43536	100.0
619.53650	7.2
620.43488	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	619.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	4.2
53.03943	19.6
54.28657	3.3
55.01859	5.3
55.05506	19.7
57.07059	9.8
65.03931	7.6
67.05180	3.5
67.05505	44.9
69.03412	7.5
69.07069	46.4
69.38142	17.3
69.38554	5.4
71.04980	5.7
73.21059	3.0
79.05495	42.0
81.03417	62.5
81.07055	69.6
83.04977	38.2
83.08617	9.8
85.06530	7.7
91.05479	47.9
93.07041	71.2
93.26410	2.9
95.04971	100.0
95.08605	67.4
97.06522	13.1
99.04477	4.2
103.05499	2.9
105.04497	3.4
105.07026	74.8
105.07698	5.6
106.07302	2.6
107.04966	3.8
107.08595	78.3
109.06530	27.2
109.10155	48.7
111.08078	6.7
112.65546	2.6
112.66354	3.1
115.05472	3.6
117.06993	20.1
119.08580	88.0
121.06499	13.4
121.10133	70.7
121.10932	5.1
123.08065	11.7
123.11706	24.3
128.06221	10.6
129.06989	14.3
130.07799	6.6
131.08560	53.2
132.22932	3.0
133.06525	6.6
133.10123	62.8
135.08047	11.6
135.11691	41.8
137.06088	3.4
137.09621	4.8
137.13258	13.0
139.07552	5.5
141.07018	8.4
142.07770	8.7
143.08569	37.0
145.06464	3.8
145.10118	60.9
147.08073	9.1
147.11690	33.3
149.09602	9.3
149.13258	9.1
151.11197	41.1
153.09090	3.9
155.07294	4.6
155.08524	19.6
155.81003	3.2
156.09323	9.6
157.10112	43.0
158.10910	6.4
159.08047	4.6
159.11707	47.2
161.09604	13.1
161.13252	25.2
163.11151	4.5
163.14839	13.2
165.07030	3.8
167.08516	6.1
168.09322	8.9
169.10121	18.6
169.12294	4.9
170.10956	5.3
171.11697	33.5
173.09599	4.8
173.13261	44.7
175.11237	9.4
175.14856	28.2
177.16397	19.0
179.08560	6.5
179.10677	3.2
179.14323	4.3
181.10144	11.4
182.10941	4.7
183.11728	26.3
184.12503	4.8
185.09683	4.6
185.13261	27.7
186.14119	3.5
187.11232	4.4
187.14816	35.6
189.09059	2.9
189.12752	6.4
189.16367	30.9
191.10764	4.0
191.14369	4.5
191.18011	4.1
193.08560	3.0
193.10265	3.5
195.11725	12.5
196.12404	5.9
197.13222	19.7
199.14795	24.1
200.15550	4.3
201.12830	9.4
201.16399	37.1
203.14395	9.3
203.18015	11.1
205.12257	8.7
205.15854	8.5
207.11766	6.1
209.13248	13.3
211.14810	19.4
213.12747	9.7
213.16382	14.4
215.14326	10.3
215.17921	10.2
217.15956	7.4
219.13812	3.6
221.13235	6.8
223.14853	10.3
225.16418	11.9
227.14388	8.8
227.18027	10.4
229.12292	3.4
229.15875	5.7
229.19508	9.1
231.13824	11.5
233.13155	4.8
233.15404	6.8
235.14943	4.5
237.16409	10.1
239.17932	8.6
241.15950	7.0
241.19562	7.0
245.15440	7.5
247.16971	6.8
249.16550	7.9
251.18079	7.3
253.15884	4.0
253.19501	6.3
255.17548	4.2
255.21065	8.3
263.18027	5.2
265.19400	6.1
267.17310	3.9
267.21167	3.9
269.18976	4.7
269.22632	3.5
273.22037	3.5
277.19556	4.4
279.21133	8.3
281.22906	3.7
283.20691	3.7
293.19284	4.9
293.22708	9.9
295.20914	4.0
295.24103	20.1
297.18631	5.3
309.25851	4.7
311.23679	10.3
315.19571	6.0
319.20795	4.0
319.24268	11.7
321.25620	3.5
333.25705	3.9
337.21649	5.2
337.25314	11.6
351.27039	4.1
363.22906	4.4
363.27069	3.1
375.26968	8.1
393.28079	8.2
405.31479	7.4
415.29904	17.5
423.32629	9.0
433.31046	86.9
433.36710	5.7
434.31430	4.0
451.32092	89.4
452.32477	8.8
583.41693	3.2
601.42633	14.4
619.43585	99.6
620.43683	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	619.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65833	1.1
53.03951	4.0
53.38416	1.0
55.01883	2.0
55.05508	13.2
55.66235	1.1
57.03448	1.4
57.07084	2.9
57.09538	1.1
59.05007	7.4
63.69904	1.2
67.05511	22.5
68.13024	1.1
69.03435	3.6
69.07072	14.1
70.65656	2.1
70.66020	2.4
71.04998	4.6
75.77814	1.0
77.03467	1.2
77.03896	1.5
79.05496	39.9
81.03429	2.6
81.07058	26.1
83.04989	8.8
83.08621	5.5
85.06520	1.4
91.05481	30.2
91.06027	2.2
93.07046	54.2
95.04980	7.2
95.08611	65.0
97.06532	3.1
97.10155	2.8
103.05430	1.5
105.07032	36.4
107.04979	5.6
107.08598	43.0
109.06541	3.7
109.10155	21.2
111.08091	7.5
115.05442	2.0
117.07004	7.4
119.08583	40.8
121.06538	3.2
121.10149	37.9
123.08099	4.9
123.11703	10.6
128.06219	2.6
129.07028	6.6
130.07787	2.4
131.08575	24.2
133.10136	33.2
133.28802	1.1
135.08104	6.3
135.11702	20.1
137.09621	1.8
137.13277	4.6
141.06998	2.2
142.07770	2.9
143.08554	12.3
145.10124	29.2
145.73769	1.2
147.08083	2.5
147.11687	18.7
149.09607	7.4
149.13261	6.7
151.11183	1.7
155.08577	6.4
156.09377	3.3
157.10138	15.1
158.10922	2.1
159.08087	2.7
159.11708	25.5
161.09636	8.2
161.13251	11.3
163.11224	3.6
163.14835	7.6
165.12756	1.5
167.08560	2.0
168.09421	1.3
169.10187	5.4
170.10883	1.5
171.11732	10.6
172.12477	1.4
173.09634	3.4
173.13240	14.5
173.14479	1.2
175.11223	4.2
175.14857	12.3
177.12767	3.3
177.16444	3.9
179.06783	1.0
179.08488	1.6
181.10182	2.4
182.10834	1.2
183.11699	8.9
184.12608	1.3
185.13283	11.0
187.14815	14.4
189.12743	3.1
189.16426	13.1
191.10594	1.3
193.10170	1.5
195.11829	2.7
197.13306	9.0
198.14114	1.3
199.14824	12.0
200.15527	1.6
201.12825	3.6
201.16371	17.2
203.14417	3.9
203.17972	8.0
205.15955	5.0
207.11804	1.5
209.13304	4.7
211.14868	6.0
213.16428	7.7
215.14377	1.9
215.18060	5.1
217.15938	5.1
219.17438	1.6
221.13438	1.7
223.14915	3.9
225.12909	1.3
225.16374	3.6
227.14378	4.2
227.18044	5.9
229.15947	3.6
229.19589	3.1
231.17467	3.7
233.15303	1.3
235.14919	1.8
237.16412	4.0
239.17969	4.1
241.15904	1.8
241.19585	3.2
245.15388	1.9
251.16356	1.4
253.15948	1.9
253.19675	3.5
255.21239	2.7
257.19116	1.6
263.16299	1.4
265.19574	2.3
267.21143	1.2
269.18979	2.2
277.19534	1.7
279.21002	1.5
293.22528	2.9
295.24152	7.4
311.23615	1.9
313.25198	2.1
319.24295	4.4
321.25891	2.3
323.23514	2.1
323.27509	1.3
333.25891	2.6
335.27481	2.0
337.24985	1.6
345.25784	1.7
351.27161	1.5
353.28503	4.6
363.26828	16.2
381.27710	8.6
389.32123	4.9
395.29425	1.4
407.33231	14.3
417.31573	3.6
435.32468	14.0
453.33670	17.2
529.36938	2.3
547.37170	2.3
573.43036	1.5
601.42035	3.0
619.43585	100.0
620.43683	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	619.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36459	2.4
55.05508	17.8
57.07066	3.7
59.04996	4.9
59.49876	2.4
65.03941	3.5
67.05507	30.3
69.03432	20.8
69.07077	14.9
69.67294	10.9
69.67696	4.9
78.71588	2.6
79.05493	25.3
81.03412	4.7
81.07056	39.5
83.04958	4.7
83.08601	8.1
85.06541	6.1
91.05482	26.2
93.07043	46.4
95.04963	12.1
95.08605	59.1
97.06522	9.7
97.10191	3.7
98.21487	5.5
103.05457	31.8
105.07032	44.1
105.70729	2.8
107.04912	2.9
107.08594	62.0
109.06527	7.5
109.10166	44.4
111.08060	6.8
117.07020	12.6
119.07797	4.7
119.08585	52.3
121.06535	4.9
121.10145	67.4
123.08074	11.0
123.11720	22.0
125.09630	3.9
128.06219	5.0
129.07002	10.9
130.07776	3.8
131.04926	76.5
131.08559	34.9
133.06500	4.1
133.10143	49.6
135.08032	9.7
135.11687	28.2
137.09604	4.1
137.13257	10.5
141.06964	4.2
142.07791	6.2
142.58098	2.4
143.08583	27.3
144.09351	2.9
145.10126	48.8
147.04359	7.6
147.08043	7.5
147.11697	32.3
149.06029	5.5
149.09674	7.4
149.13295	14.2
151.11137	5.3
155.08554	11.1
157.10135	33.2
158.10890	6.9
159.11717	45.1
161.09608	18.1
161.13249	24.5
163.11195	8.2
163.14815	4.7
165.12726	3.1
167.08562	3.3
169.10143	11.8
171.11711	22.9
173.09639	9.5
173.13310	26.5
175.03880	12.7
175.11186	10.6
175.14793	19.1
176.04283	7.7
177.12717	10.0
177.16422	4.9
179.08612	3.4
179.14304	6.3
181.10081	7.7
182.10977	2.4
183.11703	17.6
184.12555	3.0
185.09525	3.7
185.13301	22.0
187.03873	3.7
187.11240	4.1
187.14771	22.7
189.12694	6.1
189.16354	17.8
191.10622	3.4
191.14491	3.4
191.17989	3.0
193.12155	2.6
195.11726	9.5
196.12440	2.9
197.13254	21.0
199.14818	32.2
200.15562	13.2
201.12773	3.7
201.16405	41.5
203.03401	24.0
203.14252	6.8
203.17926	4.3
204.03696	16.1
205.03903	7.7
205.15912	6.5
208.12410	3.0
209.13310	11.8
211.11166	3.0
211.14857	10.8
213.12859	3.2
213.16377	10.8
215.14264	4.8
215.17937	26.8
217.15916	10.2
219.17467	3.5
221.13417	3.1
223.14856	7.5
225.12630	4.9
225.16425	7.4
227.14311	11.1
227.18002	9.6
229.16003	6.1
229.19582	5.8
231.17377	5.6
235.14822	4.8
237.16373	7.6
239.18040	8.2
241.15929	6.6
241.19643	5.2
243.13759	5.0
243.17470	4.4
245.15338	8.3
247.16971	3.3
249.16542	4.4
251.18073	5.5
253.19444	5.7
255.17392	3.8
255.21115	6.1
257.22742	3.7
263.18130	3.9
265.19608	3.8
267.17419	4.4
267.21112	4.1
269.08163	4.1
275.17770	2.8
279.21060	6.9
281.19150	4.1
285.18399	4.6
288.09451	3.6
293.19214	5.6
293.22662	9.5
295.24228	22.9
297.18762	3.3
311.20160	3.0
311.23773	6.8
313.25256	19.5
319.24243	7.6
321.22369	3.1
321.25790	10.2
323.23575	4.9
333.25986	2.8
335.27457	5.9
337.25464	5.1
339.26675	5.5
345.25638	8.4
353.28406	3.1
363.26828	96.6
377.28296	6.5
381.27878	100.0
395.29291	12.8
407.33026	3.5
413.30484	4.8
417.31406	5.9
435.32535	25.2
453.33646	31.6
459.28864	4.3
461.30429	13.9
471.34738	19.8
511.32175	28.7
529.26031	3.2
529.33167	33.7
561.35638	7.4
583.37805	4.5
601.38519	9.3
619.24603	4.0
619.39819	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	619.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01876	2.2
55.05515	12.6
57.07056	2.8
59.04998	4.3
62.27345	1.7
65.03925	4.8
65.16963	1.8
67.05502	18.0
69.03436	13.8
69.07061	14.8
71.04981	5.2
71.17728	4.2
73.06560	2.5
77.27124	1.8
79.05495	20.5
81.03419	4.3
81.07059	35.2
83.04961	6.3
83.08604	6.1
91.05473	23.5
93.07047	44.2
95.04961	8.8
95.08605	52.6
97.06534	7.0
97.10181	2.4
99.08076	1.9
103.05457	32.0
105.07033	45.9
107.04935	1.9
107.08588	59.9
109.06515	6.8
109.10156	34.9
111.08063	4.7
111.11736	2.7
113.09608	2.7
115.05463	3.3
117.07012	11.9
119.07715	2.5
119.08575	54.8
121.06502	8.3
121.10140	58.4
123.04456	2.7
123.08049	14.0
123.11707	19.4
125.09682	3.0
128.06230	3.6
129.07040	9.0
131.04922	69.3
131.08563	26.7
133.06454	3.6
133.10133	47.8
135.08058	11.8
135.11691	21.1
137.06018	2.3
137.09641	4.0
137.13249	8.5
139.07524	3.0
141.06987	5.0
141.09093	2.2
142.07756	5.3
143.08560	23.2
144.09401	2.5
145.10112	45.6
147.08047	6.0
147.11690	29.6
149.05942	3.8
149.09608	6.5
149.13257	13.2
151.07507	2.3
151.11182	6.1
154.07755	2.6
155.08524	10.3
156.09291	5.4
157.10100	23.6
158.10844	2.9
159.08052	6.0
159.11691	37.6
161.09616	16.3
161.13232	22.1
163.11215	8.8
163.14780	7.2
165.12744	3.2
167.08539	3.4
168.09355	3.6
169.10101	10.2
170.10852	2.6
171.11693	19.2
173.09612	7.5
173.13257	21.1
175.03902	6.7
175.11205	13.0
175.14798	14.2
176.04201	3.9
176.87283	1.9
177.12796	8.8
177.16370	2.9
179.07002	2.3
179.08524	2.2
179.14310	3.1
181.10146	6.9
182.10851	3.9
182.12462	1.9
183.11693	16.8
184.12457	2.9
185.09723	3.1
185.13264	19.8
187.11180	4.3
187.14828	17.1
189.12759	4.7
189.16385	14.9
191.10684	2.0
191.14305	3.0
193.10208	2.9
193.12059	2.6
195.11688	8.1
196.12532	2.7
197.08034	6.3
197.13268	14.0
198.13976	2.1
199.11165	4.2
199.14799	23.5
200.15656	12.8
201.12706	6.7
201.16370	37.4
203.03409	2.9
203.14285	5.2
203.17876	4.6
205.15924	9.1
207.11668	2.2
209.13287	9.4
211.14890	12.3
213.12820	2.0
213.16383	9.2
215.14340	6.5
215.17955	21.8
217.15843	9.7
221.13312	2.5
223.14906	9.5
225.12878	2.7
225.16370	8.3
227.14369	10.8
227.17934	10.0
229.15895	6.2
229.19539	5.1
230.08919	2.1
231.17447	4.7
233.13229	1.9
235.14902	3.6
237.16319	4.6
239.17944	6.7
241.15852	6.4
241.19588	4.6
243.13934	2.8
243.17493	3.1
243.21053	3.3
245.15401	8.5
247.09599	2.7
249.16351	4.3
251.17999	5.2
253.15959	3.4
253.19566	7.2
255.17430	4.6
255.21024	6.5
261.16370	3.2
263.17987	2.5
265.19473	4.0
267.17401	6.1
267.21042	3.1
269.18939	2.3
269.22598	3.4
277.19501	2.2
279.17386	2.4
279.21179	2.8
281.19144	2.2
283.20404	2.1
285.18500	5.1
287.09207	4.1
289.09720	3.0
293.19208	3.4
293.22623	5.3
295.24127	20.3
299.20035	3.5
311.20270	2.6
311.23642	8.6
313.25162	15.7
319.24210	3.8
321.22247	2.0
321.25882	10.6
323.23727	3.5
333.25705	3.6
335.27094	3.2
337.25421	5.3
339.26697	2.6
345.25677	8.4
351.26874	2.5
353.28409	4.8
363.26801	100.0
364.27350	3.2
372.79086	1.8
377.28348	3.1
381.27866	82.4
382.28598	2.2
395.29507	10.1
407.33063	2.4
413.30426	7.0
417.31290	5.3
435.32562	27.0
453.33704	34.2
461.30652	11.2
471.34753	16.1
511.32202	23.5
529.33258	29.3
561.35352	4.5
583.37646	5.3
601.39063	8.5
619.39752	26.7
619.71930	2.1
620.25568	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.4
51.02369	1.0
53.03946	2.4
55.05513	0.3
56.05017	0.2
57.16647	0.1
67.05515	0.3
70.06595	2.7
71.52677	0.2
71.53075	0.2
77.03880	1.1
79.05502	0.2
81.03408	0.4
81.07035	0.2
84.08144	10.9
91.01170	0.2
91.05471	1.8
95.04372	0.4
95.04969	5.6
95.08636	0.2
96.08134	0.2
104.04984	0.4
105.03391	100.0
106.03730	1.0
110.09686	2.5
112.11246	15.3
117.07001	0.2
118.06551	1.5
134.06010	5.8
152.07115	0.3
161.09467	0.3
161.10756	3.9
162.09138	83.5
163.09473	1.1
173.10736	0.2
176.10706	9.2
177.11034	0.2
215.15485	0.9
216.13824	0.4
219.06465	0.2
233.16484	15.0
234.16858	0.3
336.20871	0.4
337.19107	4.7
338.19336	0.2
394.24957	2.8
398.60303	0.2
458.24585	0.2
497.29120	48.4
498.28329	4.2
536.42053	0.2
601.31403	0.5
619.32727	7.0
620.33215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.2
53.31227	0.1
55.01870	0.2
61.86545	0.1
67.01862	0.2
67.05495	0.1
68.99782	0.6
69.03075	0.1
69.03423	0.6
69.07056	0.1
69.30570	0.2
69.30974	0.9
71.04966	0.1
73.02915	0.1
81.03410	0.6
81.07066	0.1
85.02905	1.4
87.00813	0.4
91.05477	0.3
92.99759	0.4
95.08601	0.2
97.02879	0.5
99.04442	0.2
105.01849	0.2
107.01280	0.1
109.02867	0.7
113.02305	0.2
119.04930	1.1
119.08661	0.1
121.02847	1.6
121.10122	0.1
122.15172	0.1
127.03905	1.2
131.04907	0.5
131.48486	0.1
139.00279	0.1
145.02919	0.6
145.04939	0.8
153.01872	0.2
159.02896	0.5
163.03900	4.3
175.03839	0.1
175.17270	0.1
175.43674	0.1
178.99736	0.7
181.01312	5.5
187.03891	1.4
197.00777	1.2
199.02406	0.2
210.18889	0.1
229.04817	0.2
231.02859	0.3
231.05000	0.2
245.04448	0.5
253.04929	1.5
255.02760	0.2
269.04443	0.6
271.06049	0.9
273.03937	3.8
281.02188	0.1
297.03937	8.3
298.04248	0.3
299.05484	100.0
300.05844	3.2
311.05579	0.1
315.04968	6.9
316.05359	0.3
353.10144	0.5
360.46332	0.1
371.11096	0.2
489.43198	0.1
516.70135	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	619.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01871	3.1
55.05488	0.7
57.03444	1.7
57.03653	0.5
60.04509	0.4
61.02898	1.3
62.51365	0.3
65.03891	0.6
67.05508	1.9
68.99759	1.2
69.03428	10.4
69.07030	0.9
70.06584	2.7
71.04994	1.7
71.52354	0.5
71.75250	0.3
72.08119	0.5
73.02914	1.8
79.05497	1.6
81.03416	12.4
81.07043	2.3
83.01331	0.9
83.04933	1.0
83.08574	0.3
84.04494	0.6
84.08118	0.8
85.02903	12.5
85.06520	0.6
86.09663	0.9
87.00827	6.5
87.04462	0.4
91.03912	0.5
91.05473	2.9
93.07052	1.6
93.07540	0.3
95.04959	3.8
95.08616	1.9
97.02894	5.3
97.06504	0.8
99.00780	0.3
99.04453	3.8
105.01297	0.3
105.01869	2.9
105.03348	1.2
105.07031	2.4
107.04924	1.0
107.08558	1.4
109.02882	9.6
109.06472	0.6
109.10125	1.1
111.04401	0.7
111.08070	0.4
113.45445	0.3
115.03905	0.4
116.07047	1.2
117.01804	1.2
117.06991	0.9
119.04933	1.6
119.08517	1.1
120.08070	0.6
121.02026	0.7
121.02864	12.3
121.06472	0.4
121.10107	1.2
123.04356	0.9
123.08028	0.8
123.11678	0.4
125.09602	0.4
127.02974	0.6
127.03918	12.0
128.06189	0.3
129.01799	0.8
129.06999	0.6
131.04944	0.5
131.08546	0.7
133.06448	0.8
133.10098	0.8
134.03683	0.4
135.04350	0.4
135.08028	0.6
135.11668	0.8
137.05913	0.6
138.09129	0.8
143.06956	0.5
143.08501	0.5
145.04958	2.9
145.06442	1.4
145.10138	1.7
147.02835	0.8
147.04385	1.8
147.11620	0.6
151.03860	1.1
151.07521	0.6
151.11191	0.4
153.96767	0.3
157.06424	0.9
157.10004	0.6
159.02895	4.7
159.07933	0.3
159.11679	0.6
161.05881	0.5
161.09554	0.5
161.13307	0.3
163.11166	0.4
165.01817	0.9
165.09088	0.6
167.06975	0.9
173.05991	1.0
173.09596	0.9
175.03926	2.2
175.07564	0.9
176.04549	0.5
177.05450	0.8
178.05040	2.8
179.03401	1.3
179.05258	1.1
181.06416	0.5
183.02934	0.3
185.05988	0.7
185.13213	0.4
187.07561	0.5
187.11189	0.8
191.03421	0.8
191.10529	0.4
197.05884	0.5
201.05473	3.2
203.03336	0.9
203.07013	0.5
205.12193	0.9
206.04497	5.5
207.04759	2.3
207.06534	3.1
208.06808	0.4
209.15309	0.6
213.05504	0.5
213.09010	0.5
215.07027	0.6
215.10677	1.0
219.06454	0.8
229.04893	1.4
229.08585	0.6
231.04958	1.0
233.11694	0.8
235.07607	0.5
255.06284	0.3
261.09201	0.4
265.08484	0.4
269.08203	0.3
271.05942	1.9
272.06833	0.4
281.04401	0.4
283.06055	1.3
287.05460	1.4
289.08487	0.4
292.07288	2.6
293.08130	0.8
297.07657	0.6
299.05502	22.7
300.05972	1.9
309.07571	0.3
310.04672	0.3
311.05515	2.8
311.09189	1.2
312.05606	0.4
321.07614	1.0
323.05493	1.0
324.06409	0.9
325.06921	0.9
325.10468	0.4
335.09131	10.0
337.07047	8.3
338.07825	4.6
353.10184	73.7
354.10638	2.5
371.11246	100.0
372.11548	4.4
395.11014	0.5
454.18994	0.4
601.27856	0.4
617.37964	0.3
619.20929	1.4
626.52979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	2.9
55.01863	2.3
55.05455	1.6
56.51746	0.5
57.03383	1.9
60.04514	0.5
61.02880	1.5
65.03916	0.8
66.12216	0.5
67.05511	2.4
68.99752	0.6
69.03435	10.1
69.07037	1.0
70.06586	4.7
71.01302	0.6
71.03053	0.8
71.03384	0.7
71.04934	1.8
73.02855	2.1
79.05499	2.3
81.03426	12.3
81.03870	0.7
81.07056	3.7
81.98296	0.4
82.06541	0.5
83.04910	1.5
84.04457	1.3
84.08096	0.9
85.02907	13.6
85.03385	0.6
85.06489	1.4
86.06023	0.6
86.09656	1.5
87.00829	6.4
91.05460	3.7
93.07021	2.4
94.07308	0.5
94.51407	0.5
95.04974	4.5
95.08549	1.9
96.05249	0.5
96.08090	0.6
97.02898	5.9
97.06487	1.2
97.08366	0.5
97.58581	0.5
99.04450	4.0
103.05446	0.6
105.01866	3.9
105.03336	1.1
105.07034	3.2
106.07261	0.5
107.04887	1.9
107.08587	2.5
109.02891	9.3
109.06483	0.9
109.10103	2.0
111.04393	0.9
111.08027	0.5
112.07569	1.0
112.52984	0.4
115.05478	0.5
116.07049	1.3
117.01780	1.2
117.06985	1.0
119.04884	2.2
119.08543	1.8
119.35223	0.5
120.08060	0.8
121.02876	13.3
121.06451	1.8
121.10133	0.9
123.04401	0.9
123.08020	0.9
125.05949	0.9
127.03929	11.7
129.01784	0.8
129.06946	1.4
131.08444	0.9
133.06425	0.8
133.10080	1.1
135.08000	1.1
135.11609	0.6
136.07527	0.5
137.05956	0.7
138.09094	0.8
139.07437	0.6
143.08472	0.7
145.04985	3.6
145.06441	1.0
145.10081	1.8
147.04431	2.9
147.11623	1.0
151.03815	1.1
151.07500	0.5
151.11119	0.7
159.02916	4.6
159.11652	1.2
161.09573	1.2
163.75943	0.6
164.07051	0.7
165.09055	0.9
167.07040	0.6
173.05826	0.8
173.09666	0.8
173.13235	0.7
175.03897	3.0
175.07361	0.7
177.05461	1.2
178.04996	4.1
179.03351	1.6
179.05257	2.1
185.05923	0.6
187.07504	0.6
187.11125	0.6
191.03311	1.0
193.12233	0.6
197.05972	0.5
201.05440	2.7
203.03432	0.7
203.07048	0.8
205.12292	1.1
206.04497	7.3
207.04881	3.9
207.06357	3.5
215.10677	1.5
219.06386	1.3
229.04933	1.6
231.04913	1.4
233.11664	1.1
269.08151	0.7
271.05972	1.7
283.06006	1.3
287.05652	1.0
292.07245	1.5
293.08337	0.6
299.05518	22.6
300.06122	1.8
309.07547	1.4
311.05545	2.3
311.08902	1.2
314.10388	0.5
315.08463	0.6
321.07748	0.8
321.11908	0.5
323.05496	1.3
324.06326	0.8
325.07199	1.2
335.09183	8.8
337.07056	8.5
338.07825	4.3
353.10202	73.4
354.10562	2.2
366.46429	0.6
371.11273	100.0
372.11606	3.2
492.21448	0.7
565.36145	0.8
582.36322	0.5
619.22809	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.2
51.02386	0.6
53.03943	1.4
54.42616	0.2
55.01869	0.4
55.05511	0.7
56.05045	1.1
56.58028	0.2
57.03426	0.6
58.06606	0.4
60.04524	0.3
67.05505	0.7
68.05021	0.3
68.53906	0.2
69.03429	1.8
69.07061	0.6
70.06593	3.0
70.64879	0.6
71.05000	0.4
72.08159	1.1
73.02916	0.2
77.03950	0.7
79.05493	1.0
81.03415	1.3
81.07059	0.8
83.04975	0.4
84.08141	3.5
85.02918	1.5
85.06562	0.3
86.06072	0.5
86.09705	0.5
87.00818	0.7
91.05492	1.3
93.07042	1.3
95.04981	2.8
95.08612	0.8
96.08144	0.4
97.02898	1.3
97.06532	0.8
98.09688	0.8
99.04458	0.4
99.19324	0.2
103.05447	0.2
105.03393	100.0
105.07001	1.1
106.03716	1.0
107.04996	0.3
107.08606	0.8
108.08096	0.3
109.02874	0.8
109.06516	0.5
109.10152	0.5
110.07204	0.3
110.09693	4.9
112.11237	0.6
116.07102	1.0
116.10745	0.4
117.07011	0.3
117.36518	0.2
119.04954	0.5
119.08570	0.8
120.08118	0.6
121.02882	0.3
121.06525	0.4
121.10152	0.9
122.06033	1.0
123.08059	0.4
123.11710	0.2
125.05981	0.6
127.03906	0.8
128.07103	0.4
131.08635	0.3
132.04462	0.3
133.02890	0.5
133.10123	0.5
134.06021	5.8
135.04477	0.3
135.11705	0.3
136.07588	0.7
137.05983	0.3
140.10718	0.2
143.03473	0.2
145.06470	0.3
145.10097	0.9
146.06018	0.2
147.04408	0.6
147.11641	0.3
148.07564	1.6
149.09610	0.4
151.03766	0.2
152.07054	0.5
157.10170	0.3
158.43776	0.2
159.08006	0.3
159.11678	0.6
161.10741	0.7
162.09140	59.6
163.09491	0.8
163.11230	0.4
169.10117	0.2
173.09631	0.4
174.09146	4.5
175.03888	0.7
176.10713	7.4
177.05492	0.3
177.10199	0.4
178.05002	4.7
181.04927	0.9
183.14879	0.2
187.11192	0.5
191.11821	3.8
193.13387	0.2
197.09644	0.2
205.13463	1.9
206.04475	8.1
207.04857	0.3
207.06479	1.0
208.07030	0.2
215.10733	0.3
219.14940	1.1
231.04929	0.2
231.14932	5.1
233.16411	0.5
249.11212	1.3
254.17433	0.3
255.13889	0.6
271.05936	0.4
273.14835	0.3
287.05457	0.5
288.05609	0.2
336.20795	0.5
337.19113	0.6
354.21759	27.2
355.22040	0.7
370.21265	17.2
371.21494	0.4
386.17926	0.3
456.29675	0.3
582.36469	0.2
618.26147	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43624	2.9
53.03947	3.7
55.05508	18.7
57.07075	9.7
59.04996	9.2
62.76752	3.0
65.03939	7.0
67.05508	43.3
69.03424	10.3
69.07096	21.1
70.48486	10.0
71.04983	9.8
79.05488	26.4
81.03427	7.7
81.07059	54.4
83.04987	19.2
83.08624	8.0
85.06551	21.9
91.05489	45.6
93.07046	53.3
95.04961	34.0
95.08604	70.7
97.06547	8.6
97.10110	3.9
103.05470	43.9
105.07030	56.8
107.08593	71.2
109.06527	13.3
109.10159	40.1
111.04468	3.2
111.08099	4.0
115.05492	6.4
117.07034	11.4
119.04852	2.8
119.08580	80.2
121.06517	9.5
121.10142	69.1
123.08062	11.1
123.11739	23.1
125.06010	6.3
128.06250	8.8
129.07033	15.8
131.04933	100.0
131.08563	37.4
133.06596	6.6
133.10133	56.4
135.08060	13.4
135.11667	35.4
137.05992	3.8
137.09633	5.0
137.13248	8.3
139.07523	7.3
141.06999	5.8
142.07762	9.8
143.08556	28.4
145.06554	4.8
145.10143	50.6
147.04442	21.4
147.08066	10.3
147.11688	34.8
149.06035	7.5
149.09642	6.6
149.13271	12.7
155.08553	12.4
156.09299	3.2
157.10115	41.7
158.10907	3.9
159.04445	5.5
159.08064	6.2
159.11700	49.1
161.09624	10.6
161.13248	18.2
163.03961	4.0
163.11136	5.0
163.14825	6.4
165.12732	4.3
167.08556	6.0
168.09273	5.0
169.10147	17.2
170.10953	4.7
171.11697	31.9
173.02292	5.0
173.09676	12.7
173.13261	26.6
175.03923	66.0
175.11214	9.8
175.14842	19.5
177.05470	6.4
177.12753	9.4
177.16476	7.3
179.08505	4.6
179.14246	3.5
180.09366	4.9
181.10179	6.8
183.11751	24.4
184.12433	5.1
185.09630	3.3
185.13242	24.9
186.13930	3.7
187.03937	21.8
187.11247	7.0
187.14827	27.2
189.05495	6.1
189.12744	6.7
189.16422	14.4
195.11736	13.1
197.13293	11.0
198.14046	6.6
199.03867	5.4
199.07632	3.6
199.11079	3.2
199.14810	28.7
200.15544	14.8
201.01805	11.7
201.12776	8.6
201.16359	40.4
203.03427	64.5
203.14316	8.9
203.17998	7.7
205.10213	4.7
205.15851	5.5
209.13330	6.8
211.14874	13.4
213.12820	8.1
213.16452	9.6
215.14395	9.8
215.17940	22.0
217.15941	14.2
221.13284	4.8
223.14838	9.2
225.16422	11.5
226.06247	6.4
227.14375	10.2
227.18019	13.1
229.08525	22.2
229.15868	5.4
229.19521	7.5
231.10133	6.0
231.13722	6.0
235.14870	6.3
237.16507	5.9
239.14249	3.6
239.18048	6.4
241.08635	22.8
241.15898	3.7
241.19559	6.7
243.10226	14.4
245.15446	8.5
247.09706	35.7
249.16649	5.7
251.17909	7.3
253.19389	4.6
255.21100	5.3
259.09598	5.8
263.18051	4.9
265.19415	3.4
269.08078	11.7
281.22787	3.5
287.09100	23.9
293.22647	6.1
295.24133	17.7
311.23639	7.3
313.14517	20.8
313.17545	4.3
313.25214	14.5
315.19321	4.5
319.24130	10.8
321.25751	5.4
331.15533	10.9
337.25336	6.5
363.26862	38.5
381.27869	25.3
411.28488	4.5
415.29788	8.6
433.31003	30.9
451.32053	48.1
461.30365	4.5
469.32944	12.9
529.32611	7.3
581.36371	3.7
599.36835	7.7
617.38306	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	617.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67161	1.9
67.05495	4.7
69.03414	3.7
70.06583	7.5
70.30106	1.7
71.04977	3.1
71.52010	3.0
72.08146	3.6
79.05485	2.1
81.03410	7.0
81.07081	2.5
84.04477	1.8
84.08145	4.0
85.02906	9.9
91.05476	2.5
95.08605	2.3
97.02880	3.9
102.65136	1.9
105.01895	2.3
105.03384	2.1
105.07049	3.4
107.04929	1.8
109.02872	7.6
116.07085	2.4
119.04986	3.6
121.06499	2.2
127.03899	6.8
135.04399	2.3
147.04340	6.4
148.15260	1.7
151.03925	2.5
154.04915	3.7
157.10179	2.4
165.06999	1.9
171.08023	2.1
175.03964	3.3
177.05620	1.8
185.09589	8.6
189.09108	4.6
201.09093	7.2
206.04472	2.8
207.06526	7.1
213.09117	31.5
213.12543	2.8
227.10649	7.1
227.14285	8.7
231.10103	3.5
237.12758	7.0
238.07652	1.9
240.11461	3.0
255.10255	9.0
255.13802	61.8
256.13928	3.2
261.11276	2.3
269.15399	6.7
273.14923	9.0
275.72369	2.0
297.14813	10.0
315.15906	100.0
316.16342	4.3
333.17087	3.8
339.15796	2.3
357.17032	8.9
375.18326	2.1
423.18076	2.5
441.18887	5.6
609.49530	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	617.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.7
53.03942	4.3
54.63181	2.2
55.01853	2.0
55.05510	14.7
57.03424	2.4
57.07064	8.9
59.04984	8.7
65.03931	3.0
67.05503	30.7
69.03413	10.1
69.07065	15.1
71.04973	7.1
79.05489	21.6
81.03400	7.8
81.07056	29.8
83.04967	16.5
83.08643	5.5
85.06552	20.1
87.04427	2.5
91.05476	28.0
93.07042	33.5
95.04961	22.7
95.08608	51.7
97.06525	7.8
99.04419	2.7
103.05467	30.3
105.07024	40.0
107.08595	46.4
109.06500	15.3
109.10154	37.4
117.07006	10.0
117.88805	2.2
119.08582	57.3
121.06458	6.7
121.10138	54.3
123.08055	9.8
123.11723	14.7
125.05980	3.4
128.06227	5.0
129.06989	9.0
130.07776	2.7
131.04926	65.4
131.08540	23.2
133.06491	4.4
133.10133	35.2
135.08092	7.1
135.11670	20.8
137.09645	2.8
137.13246	10.0
139.07498	8.0
141.07031	3.2
142.07768	6.7
143.08559	23.9
144.09329	2.5
145.10129	32.5
147.04420	18.2
147.08047	5.3
147.11684	21.0
149.05980	4.9
149.09616	4.8
149.13251	9.4
151.07588	3.2
151.11189	3.7
155.08504	6.7
156.09320	4.3
157.02843	3.3
157.10121	26.4
159.04428	5.4
159.08046	4.2
159.11693	28.6
161.09605	12.3
161.13206	14.6
163.11110	6.7
163.14809	4.3
167.08559	5.2
169.10103	11.9
170.10789	2.8
171.08083	4.5
171.11702	15.6
172.12375	3.2
173.02286	8.5
173.09621	8.5
173.13255	16.6
175.03903	33.1
175.11201	8.7
175.14828	11.5
177.05484	3.2
177.12723	5.8
177.16389	4.8
179.08524	3.1
181.10068	3.4
182.10861	3.7
183.11682	12.1
184.12453	2.6
185.13271	19.8
187.03917	9.3
187.11131	4.4
187.14847	17.0
189.12732	5.4
189.16342	14.5
193.10164	3.0
195.11684	5.3
197.13255	15.1
199.03870	6.3
199.14828	20.2
200.15607	10.2
201.01787	12.8
201.05461	3.2
201.12781	8.1
201.16386	31.6
203.03391	100.0
203.14281	4.2
203.18005	5.5
204.03738	4.0
205.15881	7.5
207.11725	4.2
209.13248	8.3
211.14784	7.6
213.12683	7.2
213.16344	7.7
215.14308	6.1
215.17934	20.1
217.15831	7.5
221.13216	2.7
223.14819	3.3
225.16295	7.3
227.06992	3.5
227.14297	4.2
227.17934	8.2
229.08525	9.0
229.15823	5.1
229.19479	4.8
229.73769	2.6
231.10091	2.8
231.13744	3.7
235.14807	5.2
237.16290	4.3
239.17909	6.9
241.08578	12.0
241.15889	2.8
241.19514	7.9
243.10138	7.1
243.21170	4.5
245.15340	6.8
247.09674	12.4
249.16531	3.5
251.17888	5.1
253.19499	4.5
255.21030	5.0
257.15421	2.9
257.22681	3.8
259.09717	3.1
265.19510	4.5
269.08084	9.3
279.17435	3.9
279.20929	4.1
287.09131	9.6
289.19327	2.8
293.19098	2.4
293.22455	5.5
295.13187	3.2
295.24161	14.6
297.18362	2.6
307.20779	2.6
307.83170	2.7
309.25558	3.2
311.23721	5.7
313.14240	8.1
313.25150	11.1
319.24170	5.4
321.25729	4.5
331.15323	4.3
333.25638	2.6
337.24933	5.2
345.25827	2.9
351.26965	3.0
363.26804	37.1
381.27798	23.8
405.31256	2.5
415.29575	5.6
421.31204	3.5
433.31076	22.4
451.32126	34.0
458.45642	2.4
461.30698	6.7
469.33099	13.5
511.31827	2.8
529.33362	4.5
599.36639	6.7
617.23792	3.3
617.38483	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	617.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
55.05513	1.6
57.07074	1.7
59.05011	1.3
65.03937	2.7
67.05508	11.5
69.07070	1.3
69.46066	1.7
71.04984	0.4
79.05475	0.8
80.62238	0.2
81.07032	0.9
83.04988	0.6
85.06551	8.7
89.03923	1.2
91.05483	3.2
93.07023	0.5
95.04968	0.5
95.08587	0.7
95.41647	0.2
103.05441	0.7
104.74609	0.3
105.03392	0.3
105.07028	1.0
107.08579	0.8
109.10156	0.5
111.11693	0.3
115.05447	0.9
117.03329	0.3
117.07016	0.5
119.04932	0.9
119.08556	0.7
121.06509	0.2
121.10142	1.1
128.06233	0.5
129.03358	1.2
129.07018	0.7
131.04929	8.0
133.06433	0.3
133.10155	0.3
141.06996	0.6
142.07791	0.3
143.04865	0.3
143.08566	0.6
145.02867	2.8
145.06516	0.3
145.10129	0.6
147.04413	18.0
148.04771	0.4
153.09172	0.3
155.08536	0.5
157.02863	3.2
157.10141	0.3
159.04419	4.1
161.05968	0.5
161.09590	0.3
161.13153	0.3
163.03867	1.4
169.10094	0.3
171.04434	1.3
171.08054	0.9
171.11772	0.3
173.02356	6.5
173.05997	0.7
174.03033	0.7
175.03911	23.9
176.04330	0.5
177.05475	2.3
181.06444	0.3
183.08099	0.4
183.11687	0.3
184.05226	0.5
185.02335	2.2
185.05916	0.5
187.03903	7.6
187.07550	0.6
189.05453	2.2
195.08012	0.5
197.05894	0.4
199.03928	4.3
199.07556	1.8
201.01834	10.1
201.05363	1.7
202.02570	1.7
203.03397	100.0
204.03751	2.8
211.07562	0.6
212.04727	0.8
213.05498	2.0
213.09116	0.6
215.03447	1.5
215.06952	1.0
217.04951	0.4
217.08586	0.6
223.07596	0.4
226.06212	1.2
227.07016	3.5
228.07755	0.4
229.05106	0.3
229.08592	4.8
231.10187	1.8
235.74298	0.3
237.04474	0.3
241.08588	8.0
243.06563	1.7
243.10146	5.0
244.10579	0.3
245.08125	2.4
247.09694	6.5
251.06844	0.4
253.08630	0.6
255.10196	0.4
257.08090	0.4
259.09711	2.0
269.08096	10.7
287.09171	7.4
295.13226	1.3
313.14340	7.2
314.14737	0.3
331.15350	1.5
363.27106	0.3
617.23975	3.3
617.34534	0.3
617.37964	0.3
618.24213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47572	0.4
55.05501	1.9
55.05755	0.4
57.07060	1.3
58.98763	0.4
59.04992	1.0
65.03937	2.5
67.05507	9.9
69.07056	1.0
70.34805	1.6
70.35171	0.6
81.07055	0.5
85.06544	9.1
86.67844	0.4
89.03909	1.2
91.05490	2.1
103.05499	0.5
105.07016	0.5
111.11677	0.6
113.16074	0.4
115.05475	0.6
117.07064	0.4
119.04906	0.6
128.06195	0.8
128.28897	0.5
129.03380	1.1
129.07040	0.5
131.04926	5.7
135.57614	0.4
143.08444	0.6
145.02844	2.5
145.06453	0.5
147.04408	17.3
157.02885	2.6
159.04445	4.1
163.03880	0.9
169.06450	0.6
171.04408	0.9
173.02361	7.5
173.06059	0.6
174.03125	0.9
175.03908	20.0
177.05531	2.2
185.02353	2.0
187.03925	6.6
189.05426	1.4
199.03897	4.8
199.07558	1.9
201.01820	7.6
201.05478	1.5
202.02522	1.6
203.03392	100.0
204.03748	1.8
212.04709	0.6
213.05489	2.0
213.09016	0.6
215.03517	1.1
215.06978	1.3
217.08528	0.5
226.06245	1.0
227.07028	3.9
229.08620	4.2
231.10132	1.2
241.08572	6.4
243.06573	1.5
243.10162	4.9
245.08044	2.5
247.09659	5.3
251.06987	0.6
257.08102	0.5
259.09656	1.0
269.08063	10.0
287.09155	8.4
295.13412	0.8
313.14325	5.7
331.15366	2.2
544.84662	0.6
617.23914	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	616.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73565	0.9
53.03937	1.4
55.01871	5.4
55.05506	2.9
57.03437	2.5
57.07074	1.1
59.05004	1.2
61.91616	1.0
67.05509	4.7
69.03436	5.5
69.07066	2.6
70.06591	6.9
70.84205	1.7
71.04986	4.1
72.08157	1.0
79.05499	3.8
81.03431	5.0
81.07047	6.0
83.04968	1.5
83.08618	1.4
84.08144	1.1
85.02907	4.8
85.06534	3.6
86.09694	1.6
89.57952	1.0
91.05478	4.2
93.07037	3.9
95.04956	1.7
95.08611	5.3
96.08108	1.4
97.02892	3.5
97.06545	1.0
99.04445	1.9
105.03434	1.3
105.07059	4.2
107.04979	1.6
107.08593	2.3
109.02880	5.2
109.06515	1.5
109.10162	3.0
112.93379	0.8
115.05473	1.3
117.07004	1.4
119.04957	2.2
119.08569	2.6
121.02912	1.5
121.06499	1.6
121.10149	2.4
123.04435	1.1
123.11716	1.6
124.07623	1.0
125.09534	1.1
127.03902	4.6
129.06998	1.0
131.08589	2.5
133.06496	1.6
133.10139	2.8
135.04422	4.7
135.11639	1.1
136.06232	1.0
137.05986	1.9
139.46318	0.9
142.07698	1.2
142.08714	1.2
143.08559	3.0
145.06172	3.2
145.10083	1.5
147.04381	3.6
147.08075	3.2
147.11653	2.1
147.86378	1.0
149.05956	1.4
151.03937	1.1
155.08472	2.3
157.06477	1.2
157.10213	2.0
159.04405	3.2
159.07999	1.0
161.05983	2.0
161.09622	1.3
162.02165	1.1
163.07484	0.8
167.07111	1.8
167.08603	1.5
169.06244	0.9
169.81035	0.9
171.07990	5.5
171.11710	1.0
172.08806	1.0
173.06024	3.4
173.09622	3.3
175.03969	1.2
175.07587	2.2
177.05486	2.7
178.05046	1.1
183.08060	2.0
183.11568	1.0
185.09608	6.5
186.06757	1.9
187.07559	3.4
187.11230	1.3
189.05470	1.8
189.09132	15.9
195.08095	2.5
197.09654	1.7
198.06821	1.1
199.07523	1.5
201.05490	4.0
201.09119	31.3
203.07037	1.7
203.10689	2.2
205.08487	1.3
206.04480	3.0
207.06532	2.4
207.10196	2.4
209.09659	1.2
212.08456	1.5
213.09131	13.3
213.12610	1.0
215.10706	3.7
217.08582	1.5
219.10147	2.8
225.09116	2.0
227.10611	5.8
227.14294	3.9
229.08582	1.9
229.12282	2.7
231.10156	5.1
237.12782	5.8
240.11444	12.4
241.12283	1.0
241.15790	1.0
243.10158	25.4
245.11714	3.4
251.14284	1.3
253.12315	3.0
255.10361	4.8
255.13808	100.0
256.14227	1.9
257.11887	1.0
257.15326	1.9
261.11237	3.3
269.15378	5.8
271.13367	1.8
273.14844	46.1
274.15250	1.4
279.13791	1.3
281.11536	1.0
287.16415	1.5
291.15869	2.4
295.13266	1.5
297.14859	40.9
298.15134	1.2
299.12833	1.8
310.10651	1.3
313.14270	2.8
315.15915	27.5
331.15283	1.1
333.16989	3.8
355.11755	1.0
357.17102	0.9
367.11789	1.8
368.11844	2.8
423.18097	3.4
436.17514	3.6
441.19211	6.9
454.18759	1.3
459.20157	23.3
477.21255	24.4
495.22250	19.2
581.16711	1.7
581.25940	32.8
598.37939	1.2
616.39624	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
55.01853	0.9
55.05484	1.6
61.02903	0.5
67.05509	2.4
69.03403	2.0
69.07064	0.6
69.35158	0.5
70.06557	1.5
70.44918	0.8
70.45274	1.0
71.04968	0.8
71.23019	0.4
77.70495	0.5
79.05458	0.7
81.03425	2.7
81.07014	1.2
82.06516	0.5
85.02911	2.0
85.06526	1.2
86.06042	0.6
87.00802	1.4
91.05453	1.1
93.07027	1.0
95.04959	0.6
95.08597	0.7
97.02866	2.0
99.04457	0.8
105.06991	1.4
106.02937	0.5
107.04942	0.5
107.22266	0.4
109.02874	1.2
109.10159	0.9
119.04942	0.8
119.08585	0.9
121.10102	0.7
124.03951	5.0
127.03903	2.1
128.06163	0.5
129.07007	1.0
131.04912	0.5
131.08627	0.5
133.06532	0.5
133.10088	0.9
135.04379	2.0
141.06960	0.5
142.07719	0.7
143.08527	1.2
145.04950	0.7
145.06438	0.6
145.10115	1.2
147.04373	1.5
147.08040	0.8
157.06471	1.0
157.10146	2.6
159.04433	0.8
159.08037	0.6
161.09691	0.6
167.08456	0.5
169.06516	0.5
171.04356	1.7
171.08051	2.7
172.08792	1.5
173.05952	0.8
173.09569	1.8
175.03870	1.9
175.07419	0.5
177.05452	2.1
177.09232	0.7
179.08499	0.7
181.10118	0.6
183.07932	0.4
185.06062	0.8
185.09604	7.7
187.03928	0.7
187.07509	0.5
189.09117	5.9
194.10968	0.5
195.08035	1.3
197.09496	0.5
198.06715	1.4
199.07417	0.6
199.11182	1.4
201.05498	0.5
201.09106	14.3
207.06430	0.5
207.10132	1.1
209.09644	1.1
211.07617	0.5
212.08327	2.4
212.11929	1.0
213.09102	29.5
213.12518	1.1
214.06194	0.6
215.07048	0.5
215.10822	0.8
217.08685	0.6
219.10146	0.6
222.10333	0.9
225.09100	1.4
226.14392	0.9
227.10750	6.6
227.14297	9.0
229.08711	1.0
231.10117	2.6
237.12749	7.4
240.11430	5.7
241.08595	0.6
243.10149	1.4
245.11732	1.5
247.09651	3.6
249.11198	1.6
251.14304	1.3
253.12099	0.7
255.10301	3.8
255.13799	89.8
256.14117	2.0
261.11380	0.5
268.08240	4.1
269.15359	5.5
273.11261	2.1
273.14825	6.9
287.16293	1.0
297.14853	15.1
297.18207	1.0
298.15317	0.6
315.15903	100.0
316.16159	3.3
333.17020	4.6
345.16583	0.5
357.17047	1.3
369.09540	0.9
375.18045	0.7
616.35144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
54.63935	0.2
55.01879	2.2
55.05501	1.1
57.03422	0.7
57.45780	0.2
61.02911	0.7
65.03922	0.3
67.05503	1.6
67.07767	0.2
68.99777	0.4
69.03083	0.3
69.03431	3.5
69.07060	0.7
69.64738	0.2
69.72228	0.5
69.72630	1.3
70.06570	0.5
71.01369	0.3
71.04977	1.0
73.02897	1.0
79.05496	0.5
81.03417	4.0
81.07051	0.7
83.04966	0.2
85.02908	6.7
85.06546	1.0
87.00817	2.8
91.03944	0.3
91.05472	0.7
93.07029	0.5
95.05002	0.4
97.02902	3.0
99.04451	1.8
105.01866	2.0
105.03371	0.4
105.06997	0.7
107.04920	0.6
107.08575	0.4
109.02878	3.3
109.10149	0.5
117.01852	0.7
117.07011	0.4
119.04914	0.4
119.08569	0.4
121.10135	0.4
124.03924	0.7
127.03918	5.2
128.06178	0.3
128.18542	0.2
129.01834	0.3
129.07021	0.7
131.04936	0.5
131.08519	0.3
133.06485	0.6
133.10179	0.4
135.04449	1.9
142.07771	0.7
143.08556	1.2
145.04971	2.0
145.06497	0.6
145.10100	0.8
147.04428	1.4
147.08044	0.6
149.05962	0.7
155.08499	0.6
156.09299	0.3
157.06511	0.9
157.10149	2.6
159.02879	2.2
159.04410	1.0
159.08075	0.5
161.05972	0.4
163.03926	0.3
165.06955	0.4
167.07231	0.3
167.08530	1.0
170.07219	0.3
171.04417	2.3
171.08038	2.2
171.11751	0.3
172.08757	1.7
173.05974	0.7
173.09624	1.6
175.03889	0.6
175.07497	0.4
177.05434	1.6
177.09212	0.4
178.07832	0.3
179.08582	0.4
180.09280	0.3
181.10074	0.6
183.08026	0.7
184.08769	0.6
185.05989	1.1
185.09618	8.9
185.13190	0.3
186.06781	0.5
186.10175	0.5
187.07556	0.8
189.05444	1.1
189.09109	6.6
194.10953	0.6
195.06525	0.3
195.08072	1.1
197.09688	0.8
198.06818	1.4
198.10406	0.4
199.07549	0.9
199.11183	1.8
199.14764	0.5
201.05441	1.0
201.09103	15.6
203.07074	0.4
203.10631	0.6
205.08392	0.3
207.06599	0.4
207.10226	1.3
207.11832	0.2
208.08870	0.3
209.09627	0.9
209.13260	0.4
211.07555	0.5
211.11200	0.5
212.08322	2.5
212.11945	1.1
213.09106	31.9
213.12624	1.4
214.06171	0.3
214.09529	1.1
215.10609	1.1
217.08623	1.1
219.10095	0.5
222.10400	1.2
223.11160	0.3
225.09093	1.8
225.12691	0.5
226.09898	0.5
227.07242	0.3
227.10709	7.8
227.14265	10.4
229.08589	0.6
229.12244	0.4
231.05008	0.7
231.10162	3.3
232.10680	0.4
237.12738	9.7
238.13138	0.5
240.11438	5.4
241.08548	0.4
241.12164	0.4
241.15805	0.6
242.13083	0.3
243.10172	2.2
243.54259	0.2
245.11720	2.0
247.09663	3.1
249.11151	1.7
251.14383	1.6
253.12291	0.8
255.10335	4.5
255.13797	100.0
256.14172	3.3
257.07983	0.4
261.11209	1.8
268.08112	0.5
269.12283	0.4
269.15335	5.7
271.09671	0.5
272.10431	0.4
273.11267	2.8
273.14850	8.6
279.13953	1.3
285.11032	0.7
285.14499	0.3
287.16321	0.6
295.13269	0.3
297.11621	0.6
297.14841	15.4
298.15182	0.4
299.12640	0.5
301.10815	0.4
313.14221	0.7
315.15900	97.2
316.16287	2.7
321.14847	0.7
325.10748	0.7
331.15530	0.4
333.16971	11.1
335.16360	0.4
337.10776	0.4
339.12326	0.4
339.15918	2.3
357.12738	0.4
357.16959	4.6
363.16113	0.5
375.17981	1.1
381.16934	1.0
399.18054	0.4
405.16907	0.6
417.19135	0.4
423.18127	2.2
426.24036	0.3
441.19113	0.8
509.17825	0.3
527.19073	0.4
580.34784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01851	1.2
55.05512	4.5
57.03440	1.7
57.07080	1.1
59.05007	0.6
59.06108	1.8
60.04532	0.7
61.02914	1.0
65.03933	1.8
67.05507	10.3
68.05032	1.0
69.03435	5.7
69.07050	2.3
70.06594	14.7
71.04977	2.8
71.53606	0.8
72.08144	1.4
73.02907	0.9
78.03436	2.4
79.05476	3.2
80.05027	2.9
81.03421	9.9
81.07047	5.7
83.04987	1.9
83.08593	1.1
84.08127	1.2
85.02905	6.2
85.06541	5.0
85.07623	1.8
86.06075	5.9
86.09710	1.3
87.00803	0.8
87.04469	7.6
91.05478	6.0
93.07053	4.4
95.04953	3.0
95.08598	2.2
96.04478	2.1
96.08121	2.2
97.02911	3.6
97.06527	0.8
98.06071	0.7
98.09724	0.7
99.04468	1.7
103.05505	1.0
103.08701	3.6
104.07102	15.8
105.03381	4.6
105.07022	3.9
106.02918	14.3
107.04958	1.5
107.08577	2.1
108.08150	0.7
109.02902	3.8
109.06532	2.2
109.10171	1.9
116.07141	0.9
117.07014	1.8
119.04909	1.6
119.08561	2.4
120.08128	1.5
121.02824	1.4
121.06496	2.0
121.10146	4.0
122.10483	0.8
123.08098	1.3
124.03951	100.0
124.58538	0.8
125.04252	0.7
125.05965	0.8
127.03906	2.7
131.04938	3.4
131.08534	2.1
133.06448	1.4
133.10117	1.9
135.11676	1.2
137.05959	1.3
142.07635	0.9
142.08678	1.0
143.08501	1.2
145.06508	1.3
145.10124	1.8
147.04407	8.0
149.09569	1.4
154.08754	1.0
159.04436	3.2
159.11707	1.2
162.05547	3.9
163.03951	2.7
163.05847	0.8
163.11256	0.8
167.03503	0.9
167.07016	1.1
171.08026	0.9
173.05978	0.9
175.03908	63.2
176.04211	1.6
177.05499	4.4
178.05058	1.4
180.41812	0.7
183.07979	1.0
185.09636	1.1
187.03917	14.0
187.07520	1.4
187.11171	1.1
189.05461	5.4
195.08035	0.9
199.03911	2.6
201.05464	2.3
201.09087	0.8
203.03397	2.8
203.07018	1.5
206.04504	2.8
207.06586	4.2
210.14900	1.0
211.07574	1.2
213.05556	1.1
213.09114	1.5
217.08672	0.9
219.06493	4.9
226.06233	1.8
227.07076	1.0
228.07738	0.9
229.08618	17.4
231.10152	5.6
233.04651	0.9
241.08583	10.7
243.10181	12.6
247.09665	38.0
248.13126	0.8
249.07614	2.3
250.07069	2.2
254.17648	1.7
255.10263	1.1
255.13797	2.8
259.09674	2.8
261.11212	0.8
267.15878	2.1
268.08163	78.1
276.00568	0.7
286.09259	14.4
295.13272	3.8
296.18613	1.8
299.05487	1.4
313.14395	11.0
315.15848	2.9
323.09186	1.7
331.15442	18.5
351.08557	6.2
369.09540	5.3
369.13647	1.7
554.33771	0.9
580.34851	13.8
585.44110	0.8
598.21692	1.0
598.36316	2.4
616.23346	5.7
616.37439	4.2
617.17706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78439	2.2
53.03934	2.9
55.05510	17.0
57.03424	3.4
57.07064	3.4
67.05502	44.1
69.07070	21.9
71.08641	3.7
79.05492	20.0
81.06586	3.8
81.07054	47.6
83.08629	9.8
87.81757	2.3
91.05476	16.6
93.07053	32.8
95.08604	32.5
97.10169	4.2
105.07033	17.8
107.08605	21.8
109.10135	16.4
117.06994	6.0
119.08604	16.8
121.10147	15.0
123.11700	7.3
129.07030	2.8
131.08513	12.3
133.10158	11.6
135.11696	10.4
143.08502	4.7
145.10106	11.9
147.11700	11.1
149.13257	6.8
159.11696	6.7
161.13271	8.7
163.14839	7.6
171.11655	3.1
173.13216	5.2
175.14764	4.1
185.13293	2.9
189.16364	3.4
201.16411	3.2
206.08847	2.3
261.22183	8.2
335.25906	8.2
337.27377	9.9
339.29175	3.5
381.98193	2.8
523.45398	5.9
597.48474	13.3
615.49817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	14.7
57.03434	4.6
57.07065	7.2
59.06119	6.9
60.84143	2.9
67.05506	33.1
68.05013	4.1
68.19508	2.8
69.07062	18.4
70.06570	3.3
71.08640	3.0
71.27084	4.3
71.27410	3.6
79.05496	12.6
81.04535	4.0
81.07057	41.6
83.04967	3.3
83.06114	4.0
83.08616	14.4
85.06577	4.2
85.07640	6.7
89.06023	3.0
91.05489	11.0
93.07042	24.2
95.06094	5.0
95.08607	37.8
97.07683	3.8
97.10205	7.1
97.86934	2.8
98.07144	3.5
99.08095	3.5
105.07040	15.4
107.08596	18.5
107.28606	2.6
108.05573	3.5
109.10162	24.5
110.07175	9.5
111.08037	3.6
112.08707	4.3
119.08604	13.7
121.10126	25.8
122.07129	3.6
123.11686	4.3
124.08735	3.9
131.08609	7.7
133.10159	14.5
134.07120	4.1
135.11700	14.3
137.13223	3.8
144.23436	3.1
145.10147	8.6
147.11734	9.2
149.13274	8.9
150.07858	3.4
153.04431	2.9
153.94296	3.3
157.10178	5.3
159.11716	5.2
161.13170	6.3
163.14844	3.3
169.10197	3.6
171.11693	3.8
173.13248	6.2
175.14790	4.6
177.16499	4.2
187.14754	3.8
189.16415	4.3
203.17943	4.2
261.22241	12.1
271.29956	3.7
335.25928	9.9
337.27448	13.2
523.45282	5.3
581.67908	3.5
597.48914	10.7
615.49799	100.0
616.51080	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	615.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01875	0.3
55.05507	0.4
55.17411	0.2
57.03432	0.4
65.03941	0.3
67.05516	1.0
67.10643	0.2
68.99780	0.6
69.03428	1.3
69.07060	0.5
70.06604	1.0
71.04993	0.6
71.52075	0.3
72.08150	0.5
79.05504	1.0
81.03426	1.5
81.07050	1.2
83.04964	0.3
83.08592	0.4
84.04470	0.2
84.08150	0.2
85.02895	1.7
87.00833	0.5
87.04472	0.2
91.05486	1.2
93.07057	1.3
95.04971	1.2
95.08601	0.8
96.08102	0.2
97.02885	0.9
97.06521	0.3
98.44527	0.2
98.83388	0.2
99.04492	0.5
103.05507	0.2
105.01859	0.3
105.03468	0.2
105.07040	1.2
107.04959	0.5
107.08597	0.5
109.02918	1.0
109.06516	0.5
109.10163	0.8
110.03646	0.4
111.08041	0.3
117.07011	0.3
119.04939	0.4
119.08585	0.8
120.08129	0.2
121.02864	0.6
121.06500	0.4
121.10134	0.7
123.08046	0.6
125.06007	0.7
125.09671	0.2
127.03945	1.2
131.08548	0.4
133.10139	0.6
135.04436	0.3
135.07973	0.2
135.11659	0.4
136.06212	0.3
137.02327	0.8
137.05978	0.5
142.07741	0.2
143.08636	0.2
145.04938	0.4
145.06471	0.5
145.10120	0.4
147.04431	0.4
147.11658	0.3
149.05972	1.0
149.09639	0.4
151.03912	3.1
151.05026	0.2
153.01860	0.3
157.10092	0.3
159.02892	0.3
159.07927	0.2
159.11705	0.3
161.09596	0.2
163.11194	0.2
167.03386	0.2
167.07082	1.5
167.10721	0.2
173.13261	0.2
174.06755	0.3
175.03914	0.4
175.07588	0.2
181.04938	0.4
185.08119	0.5
193.04948	0.3
200.04678	0.8
201.05481	2.8
203.03203	0.3
207.06523	0.4
215.06972	0.4
217.04901	0.2
219.06541	0.4
271.06042	2.6
281.08163	0.5
287.05548	3.1
306.08859	0.8
307.09747	0.4
309.07568	1.7
311.05573	0.7
323.09253	0.8
324.06281	0.2
324.09830	2.3
334.08377	2.9
335.09088	2.0
337.03091	0.1
337.07062	4.2
338.07687	0.3
349.10687	2.3
349.27252	0.3
351.08768	1.3
352.09430	11.0
353.10110	0.3
365.10291	0.2
366.07495	0.4
367.11783	100.0
368.12103	1.7
493.74780	0.2
571.34399	0.7
579.32117	0.2
597.32532	0.8
614.37964	0.2
615.18793	0.3
615.33215	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	615.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.2
57.03432	0.1
65.03955	0.2
67.05479	0.3
68.99763	0.6
69.03395	0.5
69.07042	0.3
70.06573	0.3
71.53519	0.2
79.05453	0.4
81.03387	0.6
81.07017	0.6
83.04996	0.2
83.93229	0.1
85.02879	0.5
91.05447	0.3
93.06998	0.6
95.04899	0.2
95.08592	0.6
97.02869	0.4
105.03368	0.2
105.07001	0.7
106.98729	0.1
107.08529	0.5
109.02849	0.5
109.10113	0.6
110.03615	0.6
111.04414	0.2
119.08556	0.7
120.08111	0.2
121.10130	0.3
123.07993	0.2
123.11676	0.2
125.05962	1.0
127.03889	0.3
131.08540	0.2
133.10081	0.5
135.11655	0.2
136.06123	0.2
137.02341	0.9
143.08562	0.2
145.04881	0.2
145.06456	0.5
145.10078	0.5
147.07922	0.2
149.05998	0.2
151.03900	3.2
151.04988	0.3
157.10144	0.3
159.11629	0.5
161.13249	0.2
165.08943	0.1
167.10646	0.2
171.11687	0.3
173.13171	0.2
174.06718	0.2
175.03925	0.2
175.07504	0.3
178.01888	0.2
179.03416	0.3
181.12303	0.2
183.11649	0.4
185.13219	0.2
187.05981	0.4
193.04872	0.3
197.13258	0.2
200.04630	0.8
201.05463	3.5
203.03337	0.2
219.06538	0.4
223.66473	0.1
237.61314	0.2
281.08142	0.5
295.05948	0.3
306.08853	1.1
307.09601	0.2
309.07602	2.4
311.05624	1.1
323.09064	0.9
324.09955	1.9
334.08344	3.5
335.09158	2.5
337.07074	4.7
338.07629	0.3
349.10715	3.3
351.08585	1.6
352.09406	13.9
353.09586	0.4
366.07364	0.4
367.11765	100.0
368.12048	2.3
369.19370	0.2
435.32825	0.2
571.18042	0.4
615.17047	8.1
615.38843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.01862	3.9
55.05507	22.9
57.03425	20.8
57.07066	5.0
67.05505	57.4
68.69646	3.3
69.07059	30.9
69.28680	21.1
69.29116	13.2
77.39873	3.7
79.05496	26.8
81.03416	75.9
81.06665	4.3
81.07061	57.0
83.04968	9.1
83.08616	29.7
89.06020	18.2
91.05480	31.6
93.07037	28.8
95.04952	26.5
95.08606	46.1
97.10139	9.1
98.20747	8.0
105.07032	20.8
106.67612	3.5
107.08589	17.8
109.06490	5.9
109.10155	23.5
111.08070	12.2
116.23786	3.7
119.08582	23.6
121.10117	14.8
121.15852	4.5
123.08030	4.7
123.11698	11.5
125.09612	6.5
129.07007	11.9
131.08551	11.3
133.08551	9.4
133.10130	11.7
135.11679	5.7
145.10094	9.3
147.08023	4.5
147.11656	12.4
149.13159	4.2
157.10103	10.6
175.03882	12.0
175.11185	10.6
177.11244	5.0
183.11656	3.8
193.12248	24.2
267.15875	100.0
268.16092	4.9
337.27335	90.7
476.09592	4.0
529.31403	7.6
529.38770	67.3
530.39117	3.7
547.40399	22.0
614.47644	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	614.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74310	0.9
53.03948	1.1
65.03934	1.9
66.56692	0.9
67.05489	2.0
69.07059	2.7
71.53389	1.6
79.05484	1.4
81.07047	2.4
91.05473	2.4
92.04987	5.6
95.04994	1.3
105.03386	1.7
105.07004	2.3
106.06551	2.5
107.08551	1.2
109.10138	1.6
118.06533	1.6
119.08578	1.5
120.04464	35.2
121.04819	1.3
128.06224	1.5
129.06966	1.6
130.06517	16.2
131.04825	1.0
131.08594	1.8
132.04471	11.3
132.08113	1.3
133.10071	1.2
137.05983	9.0
138.06305	4.2
139.06467	2.2
143.07272	2.9
143.08525	2.1
144.08081	5.2
145.06479	2.1
146.06010	12.8
154.06514	1.8
155.07259	1.1
156.08015	1.2
158.06026	10.7
158.09665	3.1
160.07607	1.8
164.06912	1.0
167.07307	8.8
168.08110	8.1
169.08759	1.1
170.09627	3.1
172.07593	3.4
174.09145	3.3
180.08090	11.6
181.08861	10.1
182.05991	2.6
182.09665	10.0
183.06790	3.6
183.10225	1.1
184.07545	4.5
184.11203	4.6
184.41536	1.0
186.09106	6.4
193.08794	2.0
194.09651	12.0
195.10390	5.6
196.07591	14.9
196.11250	4.0
197.08212	1.5
198.09169	14.1
200.10722	3.9
204.08136	2.5
205.08888	2.2
206.09682	5.7
207.10406	3.2
208.07561	2.4
208.11218	11.2
210.09180	3.5
210.12798	4.2
212.10722	2.0
217.08813	2.8
218.07887	1.9
218.09656	4.4
219.10443	3.9
220.11221	4.3
221.11906	3.9
222.09157	2.7
222.12761	7.9
223.13470	2.6
224.10696	1.5
224.14302	2.2
230.09756	1.2
230.46790	1.2
231.10442	3.5
232.11176	2.6
233.11945	3.6
234.09146	2.0
234.12766	8.8
235.13297	1.3
236.10716	1.5
236.14365	14.3
238.12331	4.7
238.15903	4.0
244.11174	1.8
245.11957	1.1
246.09099	2.0
246.12779	2.3
248.10721	1.8
248.14394	7.4
249.15036	6.3
250.15933	4.7
254.15370	3.5
258.12723	1.4
260.14282	1.6
262.08530	1.7
263.91733	1.0
264.10489	1.2
264.13834	4.1
264.17261	5.0
269.10699	1.8
271.08734	1.5
272.09445	1.4
272.14197	1.6
273.10135	1.4
274.08679	1.4
274.15610	1.2
281.10687	1.4
282.11569	5.5
284.09283	5.3
285.10077	4.8
287.09039	1.3
288.17520	1.4
289.10040	1.2
293.10742	3.2
294.11444	1.5
295.12262	3.9
297.10349	3.9
297.13916	3.1
298.11008	1.4
299.08871	1.5
299.11841	15.1
302.19028	3.7
305.10513	8.9
306.11420	2.7
307.12128	7.2
308.12933	1.7
309.10184	6.6
309.13858	2.9
310.10883	7.5
311.11954	7.7
312.12531	3.9
313.13583	4.6
315.15216	1.5
318.18582	1.7
320.19989	1.9
321.13864	1.2
322.11279	1.2
323.11823	4.6
323.15393	1.8
325.13339	51.6
326.14111	4.7
327.11389	1.5
327.14920	2.3
331.10907	3.6
332.11533	2.1
333.12332	5.0
337.09662	1.3
337.13202	2.7
338.14044	2.4
339.14871	5.0
341.13000	1.3
345.12161	2.8
347.15353	1.8
348.12381	3.4
349.11880	46.5
351.15009	2.6
353.20264	1.5
357.12366	6.7
359.14029	13.2
363.18790	1.8
381.19632	100.0
382.20020	11.2
383.21280	1.9
404.19940	1.0
427.20432	1.3
449.21985	1.3
451.23972	2.0
463.23486	1.8
464.24460	1.7
481.24866	4.1
495.14322	1.7
496.15460	1.7
527.21973	1.1
540.22882	2.4
555.16766	4.9
558.23981	1.8
578.27698	2.5
596.29102	12.3
614.18225	7.7
614.29962	40.6
615.18494	1.2
615.30188	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	614.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	4.8
57.03462	1.6
58.45518	1.3
70.06606	4.7
72.34325	1.7
74.06081	100.0
78.76144	1.5
81.03435	3.2
84.04527	5.3
85.02929	3.5
97.02932	2.8
98.06068	7.3
102.05517	7.5
109.02880	5.2
116.07097	52.4
118.06535	9.3
120.06580	22.4
132.08133	3.2
142.06447	1.7
144.06564	72.6
144.08035	5.2
145.04932	2.3
146.06020	30.4
147.06383	3.3
159.09152	3.8
162.07622	11.0
164.06989	1.8
170.05957	2.2
184.78114	1.7
188.07077	38.0
189.07442	4.3
205.09735	15.0
206.10071	3.0
228.08646	2.2
237.02638	1.7
240.08804	2.4
246.09753	2.3
251.45593	1.6
270.09732	16.4
288.06009	2.3
288.10797	36.2
306.11816	24.6
344.05746	1.7
523.68616	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	614.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74310	0.9
53.03948	1.1
65.03934	1.9
66.56692	0.9
67.05489	2.0
69.07059	2.7
71.53389	1.6
79.05484	1.4
81.07047	2.4
91.05473	2.4
92.04987	5.6
95.04994	1.3
105.03386	1.7
105.07004	2.3
106.06551	2.5
107.08551	1.2
109.10138	1.6
118.06533	1.6
119.08578	1.5
120.04464	35.2
121.04819	1.3
128.06224	1.5
129.06966	1.6
130.06517	16.2
131.04825	1.0
131.08594	1.8
132.04471	11.3
132.08113	1.3
133.10071	1.2
137.05983	9.0
138.06305	4.2
139.06467	2.2
143.07272	2.9
143.08525	2.1
144.08081	5.2
145.06479	2.1
146.06010	12.8
154.06514	1.8
155.07259	1.1
156.08015	1.2
158.06026	10.7
158.09665	3.1
160.07607	1.8
164.06912	1.0
167.07307	8.8
168.08110	8.1
169.08759	1.1
170.09627	3.1
172.07593	3.4
174.09145	3.3
180.08090	11.6
181.08861	10.1
182.05991	2.6
182.09665	10.0
183.06790	3.6
183.10225	1.1
184.07545	4.5
184.11203	4.6
184.41536	1.0
186.09106	6.4
193.08794	2.0
194.09651	12.0
195.10390	5.6
196.07591	14.9
196.11250	4.0
197.08212	1.5
198.09169	14.1
200.10722	3.9
204.08136	2.5
205.08888	2.2
206.09682	5.7
207.10406	3.2
208.07561	2.4
208.11218	11.2
210.09180	3.5
210.12798	4.2
212.10722	2.0
217.08813	2.8
218.07887	1.9
218.09656	4.4
219.10443	3.9
220.11221	4.3
221.11906	3.9
222.09157	2.7
222.12761	7.9
223.13470	2.6
224.10696	1.5
224.14302	2.2
230.09756	1.2
230.46790	1.2
231.10442	3.5
232.11176	2.6
233.11945	3.6
234.09146	2.0
234.12766	8.8
235.13297	1.3
236.10716	1.5
236.14365	14.3
238.12331	4.7
238.15903	4.0
244.11174	1.8
245.11957	1.1
246.09099	2.0
246.12779	2.3
248.10721	1.8
248.14394	7.4
249.15036	6.3
250.15933	4.7
254.15370	3.5
258.12723	1.4
260.14282	1.6
262.08530	1.7
263.91733	1.0
264.10489	1.2
264.13834	4.1
264.17261	5.0
269.10699	1.8
271.08734	1.5
272.09445	1.4
272.14197	1.6
273.10135	1.4
274.08679	1.4
274.15610	1.2
281.10687	1.4
282.11569	5.5
284.09283	5.3
285.10077	4.8
287.09039	1.3
288.17520	1.4
289.10040	1.2
293.10742	3.2
294.11444	1.5
295.12262	3.9
297.10349	3.9
297.13916	3.1
298.11008	1.4
299.08871	1.5
299.11841	15.1
302.19028	3.7
305.10513	8.9
306.11420	2.7
307.12128	7.2
308.12933	1.7
309.10184	6.6
309.13858	2.9
310.10883	7.5
311.11954	7.7
312.12531	3.9
313.13583	4.6
315.15216	1.5
318.18582	1.7
320.19989	1.9
321.13864	1.2
322.11279	1.2
323.11823	4.6
323.15393	1.8
325.13339	51.6
326.14111	4.7
327.11389	1.5
327.14920	2.3
331.10907	3.6
332.11533	2.1
333.12332	5.0
337.09662	1.3
337.13202	2.7
338.14044	2.4
339.14871	5.0
341.13000	1.3
345.12161	2.8
347.15353	1.8
348.12381	3.4
349.11880	46.5
351.15009	2.6
353.20264	1.5
357.12366	6.7
359.14029	13.2
363.18790	1.8
381.19632	100.0
382.20020	11.2
383.21280	1.9
404.19940	1.0
427.20432	1.3
449.21985	1.3
451.23972	2.0
463.23486	1.8
464.24460	1.7
481.24866	4.1
495.14322	1.7
496.15460	1.7
527.21973	1.1
540.22882	2.4
555.16766	4.9
558.23981	1.8
578.27698	2.5
596.29102	12.3
614.18225	7.7
614.29962	40.6
615.18494	1.2
615.30188	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	614.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.7
57.07061	2.1
65.03928	2.7
67.05186	1.2
67.05506	14.7
69.03407	1.7
69.07049	3.3
70.06573	1.5
70.88619	1.4
70.88982	1.2
71.04985	1.7
72.04504	0.6
79.05489	0.9
81.03403	2.5
84.08127	0.8
85.02886	2.9
85.06073	1.1
85.06549	13.8
91.05479	2.5
93.07032	0.9
95.08575	1.0
97.02876	1.6
99.04437	1.0
105.01783	0.7
105.07024	0.9
109.02859	1.9
109.10145	1.0
119.04922	1.9
123.08051	0.9
127.03893	2.2
131.04919	2.4
133.10054	0.9
145.02824	1.4
147.04414	8.5
159.04408	4.8
159.08063	1.4
163.03886	3.0
167.07094	0.8
173.05945	1.8
175.03900	100.0
176.04495	2.1
177.05463	11.9
187.03909	26.6
187.07574	2.1
188.04291	0.7
189.05495	9.6
199.03954	4.4
199.07611	1.3
201.05515	4.9
201.09097	0.7
203.03374	5.4
203.06998	3.1
207.06589	4.3
211.07617	1.4
213.05469	1.9
213.09109	1.6
215.07011	1.8
217.08601	1.5
222.11292	4.0
223.07533	1.0
226.06235	4.4
227.07043	2.1
228.07977	1.3
229.08589	32.4
231.06671	0.7
231.10161	12.0
241.06227	1.5
241.08591	17.6
243.10152	21.4
245.08188	1.6
246.07608	2.4
247.09654	76.9
248.09953	2.0
249.11185	1.0
253.08652	1.6
255.10143	3.9
259.09698	6.5
261.11160	1.0
265.10693	0.9
271.06195	0.7
281.65167	0.9
295.13339	7.2
313.14313	25.7
331.15387	85.7
332.15692	2.7
349.16425	6.5
358.50595	0.8
479.87155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4823
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03937	1.6
55.01880	1.3
55.05511	14.0
57.03423	3.7
57.07066	4.7
58.52977	0.9
65.03937	1.2
67.05505	28.7
69.07069	14.4
69.61759	1.7
69.62177	4.6
71.08636	4.7
76.87321	0.9
79.05488	14.1
81.07057	23.8
82.07397	1.1
83.04974	1.2
83.08606	8.8
85.06528	1.6
85.10186	0.9
86.78456	0.9
91.05473	17.3
93.07047	19.4
95.04961	2.3
95.08604	20.4
96.08932	1.1
97.06530	2.3
97.10153	4.8
105.07031	18.6
107.08601	11.1
109.06499	1.4
109.10166	7.8
111.08067	1.4
117.07001	9.4
119.08578	19.2
121.10152	6.8
123.08018	1.5
123.11725	2.9
129.07037	5.5
131.08578	17.4
133.10123	7.5
135.07957	1.0
135.11690	5.2
137.13237	1.8
141.06987	2.3
143.08572	8.2
145.10121	17.0
145.11174	1.6
146.10448	1.0
147.11671	5.0
149.13283	2.4
155.08565	3.8
157.10141	7.2
158.10606	0.9
159.11717	7.0
161.13269	5.6
163.03946	1.6
163.14821	1.9
169.10150	4.1
171.11676	6.1
173.13284	6.6
175.14853	5.0
176.15433	0.9
179.14236	1.8
181.10077	2.1
183.11722	3.2
183.42528	1.0
185.13229	4.5
187.14830	5.3
189.16460	3.0
195.11745	1.7
197.13290	3.3
199.14792	4.4
201.16383	4.6
203.18092	1.0
207.21222	1.2
209.13318	1.3
211.14850	1.9
213.16418	2.9
215.17920	2.6
223.14972	1.1
225.16478	2.0
227.18196	2.1
229.19522	1.9
231.21169	1.7
237.16264	1.3
239.17979	1.7
245.22798	1.2
253.19420	1.2
257.22556	1.1
259.20544	1.2
267.21121	1.4
277.21729	1.7
285.22198	1.2
313.25201	1.4
335.25809	1.1
341.24893	1.2
408.80115	1.1
451.35519	1.2
503.42764	1.3
515.37805	1.2
521.43500	9.2
523.34570	1.0
529.39178	1.2
539.44623	5.0
577.45886	1.6
595.47424	9.0
613.48187	100.0
614.48639	7.8
616.10699	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4823
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03946	2.6
55.05266	1.8
55.05511	18.7
57.03437	3.8
57.07067	4.1
59.33025	1.0
59.59864	1.0
65.03925	2.4
67.05505	47.1
69.07063	13.8
69.87266	5.7
71.04986	1.5
79.05489	26.3
81.07056	48.4
82.07397	1.2
83.04993	1.7
83.08629	6.4
85.06534	1.6
86.96136	1.0
91.05465	20.2
93.07042	31.2
95.04970	1.1
95.08604	41.8
97.06528	2.1
97.10153	4.0
99.08091	1.6
103.05464	1.9
105.07034	23.6
107.08597	19.0
109.06523	1.6
109.10165	18.5
111.08114	1.6
113.09633	1.1
117.07037	8.3
119.08582	19.9
121.10136	14.9
123.11726	8.4
129.07007	3.1
131.08553	17.2
133.10135	17.3
135.11687	11.9
137.13283	3.6
143.08583	5.0
145.10120	13.1
147.11688	13.6
149.13278	7.4
155.08559	1.6
157.10133	6.1
159.11722	11.7
161.13222	7.9
163.14827	3.1
169.10191	1.4
171.11687	5.4
173.13307	9.7
175.14836	5.0
177.16483	1.6
183.11681	1.8
185.13347	4.6
187.14868	4.5
189.16447	1.4
197.13200	2.1
199.14880	3.6
203.17831	1.5
211.14940	1.5
213.16431	1.9
217.19583	1.3
223.14842	1.3
223.94040	1.2
229.19569	1.4
241.19548	3.1
243.21283	2.6
259.20480	5.9
261.22134	9.9
263.23636	1.3
277.21851	1.5
285.63696	1.2
289.25146	1.2
301.25412	1.7
317.24783	2.0
333.24271	4.5
335.25800	13.6
337.27390	9.6
361.16669	1.2
489.36041	2.4
521.43726	5.4
529.38654	1.8
539.44666	4.2
595.46820	10.5
613.48236	100.0
614.48444	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	613.4824
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.98767	0.8
53.03941	2.7
55.01881	1.0
55.05510	11.9
57.03442	4.8
57.07072	3.2
61.71412	0.9
62.63471	0.7
65.03946	2.0
67.05506	42.0
69.07072	15.5
71.00538	1.3
71.00865	1.2
71.05003	1.7
71.08620	0.9
72.06178	0.8
73.89053	0.8
79.05491	21.7
81.07054	46.5
83.04976	1.1
83.08628	7.0
85.06572	1.0
91.05478	19.0
93.07048	30.1
95.04968	2.6
95.08607	35.9
97.06523	1.7
97.10167	4.1
99.08092	1.3
105.07030	20.9
106.58950	0.9
107.08601	17.4
109.10155	17.9
111.08083	1.5
111.11735	1.1
117.07014	9.1
119.01404	0.8
119.08577	22.2
119.09368	1.6
121.10150	17.3
123.11701	9.1
125.09621	0.8
129.07031	3.5
131.08574	16.8
133.10138	15.3
133.11095	1.1
135.11688	11.1
137.13269	2.6
143.08588	4.0
145.10117	12.5
146.68301	0.8
147.11690	11.2
149.13223	7.4
155.08586	2.3
157.10172	5.0
159.11697	12.6
161.13246	6.5
163.13344	0.7
163.14737	4.0
169.10149	1.7
171.11703	4.9
173.13255	9.1
175.14891	4.0
177.16403	1.3
183.11755	1.7
185.13231	4.5
187.14882	4.2
189.16423	2.6
197.13254	1.9
199.14891	2.6
201.16441	2.9
203.17891	1.5
211.14799	1.4
213.16460	1.7
215.18033	1.5
217.19505	1.5
219.17508	0.9
227.18103	1.1
231.21051	1.4
233.19034	1.0
241.19623	2.9
243.21156	2.3
259.20566	8.6
261.22141	9.4
263.23822	1.7
267.19556	0.9
273.22327	1.0
277.21936	1.1
279.23169	1.2
285.22256	1.2
287.23898	1.5
299.23676	1.6
317.24808	1.8
323.25894	1.2
333.24234	5.8
335.25864	13.0
337.27380	8.3
341.28500	1.2
347.25931	1.2
347.30252	1.1
355.29861	1.5
357.28110	0.9
363.28873	1.2
367.30161	0.9
411.32428	1.1
454.86789	0.9
489.35965	2.3
491.37167	1.2
503.37201	1.3
521.43604	5.8
529.38922	1.2
531.39923	0.9
539.44745	2.8
543.40503	1.5
568.37299	0.9
595.47247	12.6
613.48254	100.0
614.48468	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	613.4823
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03931	2.0
55.05510	14.0
57.03435	4.9
57.07078	4.0
60.30313	0.9
65.03953	1.4
67.05505	41.1
69.07071	15.8
71.04993	1.6
71.27219	2.1
71.27561	1.7
77.98389	0.9
78.23116	0.7
79.05494	25.4
81.07056	46.6
83.04992	0.9
83.08611	8.8
85.06542	1.7
91.05489	19.3
91.78491	0.8
93.07048	27.2
95.04996	2.2
95.08606	36.6
97.06551	2.9
97.10185	3.6
99.08125	1.4
105.07037	18.9
107.08590	19.5
109.06556	1.0
109.10150	17.1
117.07029	7.8
119.08584	19.8
121.10146	16.4
123.08103	1.4
123.11707	8.8
129.07024	3.4
131.08566	16.8
133.10132	16.5
135.11690	13.5
137.09633	1.4
137.13284	3.2
143.08554	4.3
145.10129	13.7
147.11682	14.0
149.09645	1.3
149.13275	7.3
151.14857	1.8
155.08545	2.0
157.10103	5.5
159.11685	11.6
161.13284	9.6
163.14865	4.1
169.10204	2.6
171.11714	5.5
173.13251	8.6
175.14796	6.3
181.10361	1.2
183.11754	1.8
185.13300	4.0
187.14873	3.8
187.83630	1.0
189.16487	3.2
191.18057	1.2
195.11632	1.0
197.13329	1.2
199.14809	2.6
201.16440	3.0
203.18027	1.2
213.16512	1.4
215.18063	1.8
217.19635	1.2
219.17331	0.9
231.21136	1.6
241.19737	2.0
243.21205	2.5
247.20673	1.2
248.99713	1.1
259.20596	8.1
261.22107	9.5
263.23779	1.3
275.23911	1.2
287.23804	1.2
299.23703	1.3
301.25281	1.0
317.24915	1.6
323.25830	1.0
333.24210	5.1
335.25787	15.9
337.27371	9.2
369.31552	1.4
373.27148	1.3
382.98056	0.9
463.34164	1.1
477.35986	1.0
489.35699	1.1
503.37216	2.5
505.39679	1.1
521.43585	6.0
539.44452	2.7
543.40137	1.4
595.47241	12.0
613.48248	100.0
614.48907	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	613.316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48252	1.0
55.05503	3.1
65.03946	2.5
65.54626	1.0
67.05518	6.0
69.07074	11.4
71.04058	2.3
71.04375	1.4
79.05508	3.2
81.07054	9.7
83.08628	2.3
91.04974	1.9
91.05487	17.8
93.07045	4.2
95.04961	1.6
95.08615	5.8
105.07019	4.2
107.04962	20.1
107.08619	2.1
109.06518	1.0
109.07532	1.0
109.10188	1.3
117.07064	1.6
119.04941	20.9
119.08582	2.9
120.14581	1.0
121.10174	2.5
129.06993	1.2
131.04901	1.1
131.08580	2.7
133.10202	1.9
135.04425	2.0
135.11746	1.2
137.13266	2.5
145.10107	1.4
147.04375	5.7
147.11661	1.5
151.15392	1.0
159.04442	4.5
159.11697	1.6
163.03909	100.0
164.15273	1.2
173.06021	2.2
175.03915	44.1
181.04912	2.0
187.03905	8.4
187.07562	1.6
189.05394	2.3
201.05429	3.3
213.05409	1.5
220.40164	1.1
229.08618	34.9
247.09650	26.9
247.12149	1.7
263.60931	1.2
454.08945	1.6
477.19220	3.9
490.14813	1.2
612.46912	1.7
613.31476	2.1
613.47858	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	613.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.8
64.71583	1.1
65.03942	2.7
67.05500	3.5
69.07060	4.2
69.72418	7.4
69.72746	1.8
79.05492	2.8
80.88283	1.2
81.03395	1.2
81.07042	3.8
83.08588	1.6
90.81189	1.0
91.05467	4.8
92.05019	5.6
93.07034	3.7
94.87140	1.1
95.04980	2.8
95.08567	1.7
97.10164	1.1
103.05505	1.2
104.05009	1.6
105.03382	2.1
105.07008	2.7
106.06554	3.0
107.04906	1.2
107.08626	3.2
109.10151	2.2
115.05473	2.3
117.05721	2.6
117.07007	2.1
118.06503	2.2
119.08577	3.7
120.04465	38.2
121.10117	1.8
128.06233	4.2
129.07001	5.1
130.06520	20.0
131.04907	2.1
131.08586	1.8
132.04456	11.2
132.71545	1.3
133.06519	1.9
133.10085	1.4
141.06989	2.1
143.07428	2.2
143.08591	4.2
144.08083	6.0
145.06519	7.2
145.10136	1.3
146.05989	13.3
147.11699	1.3
153.06953	1.6
154.06538	3.4
155.07323	2.0
155.08511	2.1
156.08095	2.1
157.06458	2.3
158.06021	16.6
158.07224	2.3
158.09647	4.4
159.08177	1.4
160.07538	1.7
163.07590	2.8
165.07028	3.2
167.07281	10.4
167.08461	1.5
168.08075	11.5
169.06519	2.6
169.08873	2.3
169.10199	1.4
170.06042	1.9
170.09639	7.2
171.08145	2.0
172.07588	3.1
174.09167	4.7
179.08562	1.3
180.08089	17.0
181.08882	13.1
182.06041	3.2
182.09653	16.8
183.06769	5.0
183.08163	1.4
183.10460	1.4
184.07530	6.5
184.11221	6.7
186.09178	5.3
187.07549	1.7
192.08122	2.5
193.08888	3.2
194.09657	18.6
195.10426	8.2
196.07573	19.5
196.09248	1.9
196.11154	8.1
198.09126	14.5
199.07544	1.3
200.10707	13.4
201.09111	1.7
204.08144	3.9
205.08904	3.2
206.09651	7.4
207.10422	4.1
208.07600	3.6
208.11224	21.9
209.11899	2.9
210.09167	4.4
210.12817	3.6
212.10712	1.5
216.03339	1.2
217.08641	11.8
218.09665	8.5
219.10437	5.0
220.11212	10.0
221.12064	5.2
222.09200	1.8
222.12817	11.2
223.13539	3.2
224.14272	2.2
226.12297	2.2
231.10324	6.8
232.11237	7.2
233.12003	4.1
234.09134	2.5
234.12704	12.8
235.13661	1.4
236.10822	2.1
236.14343	20.6
238.12302	7.7
238.15825	6.0
242.09584	2.4
244.11311	4.3
245.09770	1.2
245.12053	4.5
246.09068	1.3
246.12766	6.7
247.13530	1.9
248.10770	1.8
248.14383	10.8
249.15186	5.3
250.12228	2.0
250.15874	6.1
251.12991	2.0
252.13814	1.7
254.09581	1.6
255.10388	1.7
256.11246	2.0
257.11877	1.8
258.09244	1.4
258.12778	2.5
259.13742	1.6
260.10840	2.8
260.14429	3.2
262.08630	2.5
262.15958	2.2
263.14255	1.4
264.13947	3.1
264.17477	7.2
268.10724	1.4
269.10797	1.6
270.09119	3.7
270.12845	2.0
272.09756	1.6
272.14371	4.0
274.16031	3.2
276.10275	2.2
280.60522	1.5
282.11505	4.4
283.09744	1.7
283.12506	2.2
284.09363	6.0
285.10233	5.7
285.15051	1.9
288.10269	3.7
288.17459	3.3
290.18982	1.4
293.10898	4.3
294.11530	2.9
295.12302	4.5
296.10452	1.4
297.10422	5.1
297.13757	1.6
298.11972	2.2
298.15585	1.6
299.11752	18.4
300.17514	1.7
302.19180	1.3
306.11261	10.8
307.12332	9.0
308.10486	2.4
309.10309	5.5
309.13751	2.6
310.11050	8.6
311.12042	7.3
311.15433	2.1
312.12592	5.8
313.13470	6.8
314.11618	5.9
318.18692	2.9
320.20471	1.2
321.14050	2.5
322.12018	1.6
323.11865	6.6
323.15445	3.4
325.13361	59.5
326.11304	7.3
327.15042	2.2
330.11316	2.5
332.12790	4.9
336.13599	1.2
337.13333	2.9
338.14468	1.9
339.14957	7.3
340.13052	2.0
344.12820	11.6
348.12357	8.1
349.13589	1.4
351.14832	1.6
356.12479	2.5
356.89337	1.4
358.14432	6.3
361.14822	1.5
363.18527	4.4
365.16238	1.4
378.14432	1.3
381.19623	100.0
382.19815	2.4
392.16476	2.9
394.17957	2.9
406.17896	1.4
420.19278	1.5
450.24387	4.4
462.24438	4.5
463.24927	1.6
480.25381	10.4
481.25787	3.2
496.15289	1.6
513.21381	1.9
527.23022	1.4
539.23547	2.0
555.16925	2.8
557.24860	1.5
565.28534	4.0
577.28534	6.8
595.29657	23.0
613.30566	97.6
614.17859	4.9
614.30273	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	613.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
67.05503	2.8
69.07056	3.4
71.27184	2.1
79.05469	2.0
81.07056	2.9
91.05480	2.8
92.05013	4.2
93.07041	1.2
95.04978	0.9
95.08595	1.5
105.03412	1.6
105.07040	1.7
106.06541	1.8
107.08592	1.9
115.05432	1.4
117.05761	1.3
117.07035	1.9
119.08633	2.1
120.04462	33.9
120.05331	1.7
121.10116	1.1
128.06258	1.7
129.06996	3.3
130.06511	14.9
131.08510	1.6
132.04448	12.3
132.08133	1.3
133.10158	1.5
141.06973	1.1
141.88469	0.9
143.07335	2.7
143.08553	3.0
144.08093	4.7
145.06496	3.0
146.06013	14.6
154.06516	2.4
155.07343	1.5
157.06497	1.3
157.10185	1.0
158.06021	13.4
158.09634	2.4
158.25710	0.9
159.07971	1.3
160.07626	2.2
161.06198	0.9
163.07607	1.0
167.07283	9.3
168.08043	8.0
169.06476	1.6
169.08914	1.6
170.06018	1.0
170.09653	3.6
170.10963	1.0
171.07977	1.2
172.07626	4.2
174.09175	4.1
179.08609	1.0
180.08052	11.3
181.08824	9.9
182.06035	3.7
182.09651	12.0
183.06721	4.7
184.07574	4.2
184.11107	4.5
186.09178	5.6
192.08076	2.0
193.08885	1.9
194.09628	14.8
195.06889	1.3
195.10399	6.6
196.07581	16.0
196.09450	1.2
196.11148	4.7
197.08261	1.3
198.09131	15.5
200.10713	4.9
201.09196	0.9
204.08093	3.3
205.08875	2.0
206.09698	5.3
207.10478	3.1
208.07608	3.4
208.11238	13.2
209.11917	1.5
210.09137	3.9
210.12781	2.6
212.10696	2.2
217.08662	5.3
218.09599	5.1
219.10426	4.3
220.11209	7.0
221.12024	4.1
222.09106	2.1
222.12782	7.6
223.13542	1.5
224.10782	1.3
224.14365	2.5
231.10408	2.8
232.11317	3.0
233.12004	3.3
234.09113	1.1
234.12735	10.2
236.10767	1.7
236.14326	15.1
238.12312	3.6
238.15909	3.2
242.09734	1.4
244.11311	1.1
245.12045	2.4
246.09267	1.1
246.12747	3.2
248.10719	2.0
248.14368	7.7
249.15128	3.7
250.12415	1.6
250.15919	2.5
251.13126	1.3
252.13852	1.8
254.15472	2.6
258.09088	2.3
258.12585	1.1
259.13678	1.4
260.14346	1.7
262.15921	1.8
264.13913	3.4
264.17438	6.2
267.16275	0.9
268.11148	1.0
269.10846	1.6
270.09180	1.3
271.10114	0.9
272.09564	2.6
273.10144	1.0
273.15112	1.3
274.15921	1.1
276.10065	2.2
282.11557	3.2
283.12405	1.7
284.09357	6.2
285.10327	5.8
288.10129	2.3
293.10724	4.1
294.11499	4.3
295.12296	2.0
296.10233	1.0
297.10315	5.5
297.13904	3.2
298.11160	1.7
299.11758	17.7
302.19083	3.2
304.09769	1.0
306.11334	8.8
307.12375	10.1
308.13242	2.0
309.10281	6.1
309.14066	2.5
310.10980	7.3
310.14227	1.2
311.11816	8.5
312.12680	6.1
313.13287	4.9
314.11816	1.2
318.18506	1.6
320.13214	1.2
320.20020	2.5
321.13803	1.9
322.11600	1.2
323.11969	4.6
323.15295	1.6
325.13345	62.2
326.14255	1.8
327.15073	3.7
328.13412	1.2
330.11356	1.6
332.12881	5.2
333.13885	1.9
337.13464	1.9
338.14465	1.7
339.14835	5.5
340.13382	1.4
344.12903	4.8
347.15433	2.1
348.12289	53.4
349.16870	1.6
351.15057	2.3
356.12833	9.6
358.14389	17.1
363.18585	2.8
380.16791	1.1
381.19617	100.0
382.19855	2.8
383.21289	3.0
392.16510	1.8
420.19516	1.5
450.24350	1.4
462.24139	2.0
480.25275	2.7
481.26178	1.6
495.20889	1.3
496.15555	1.8
527.23065	2.2
539.23352	3.4
555.17133	1.8
557.24329	1.6
577.28546	4.3
595.29395	9.8
613.30536	42.5
614.17792	3.1
614.30347	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	612.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01852	0.9
55.05501	2.8
56.05036	3.0
57.03425	1.7
57.07069	4.5
60.04522	1.1
65.03954	1.4
67.05505	5.7
69.03419	0.7
69.07064	3.8
69.73159	1.6
69.73572	2.1
70.06595	3.8
71.04991	6.0
74.06083	28.0
79.05493	5.5
81.03428	1.5
81.07059	11.7
83.04984	2.3
83.08631	1.4
84.04506	0.7
85.06529	2.0
86.06084	0.8
91.05482	10.1
92.95743	0.7
93.07044	11.5
95.04964	12.2
95.08611	12.7
97.06542	3.3
98.06057	16.6
99.04466	6.1
100.07593	0.7
102.82108	0.6
105.07035	12.9
107.08598	16.8
109.06504	2.9
109.10160	8.8
112.07650	1.1
114.09216	0.6
115.05486	0.9
116.07100	7.2
117.07020	4.5
119.08579	17.2
121.06511	2.1
121.10151	10.8
123.08072	1.0
123.11714	4.3
128.06265	1.2
129.07025	2.2
130.07770	1.0
130.08643	0.9
131.08554	10.0
133.10133	13.9
134.45627	0.7
135.08032	1.7
135.11691	11.6
137.06023	0.7
137.13293	2.7
139.07431	1.2
140.07085	0.7
141.06992	1.5
142.07779	1.2
143.08577	6.1
144.09322	1.6
145.10129	12.5
147.08090	1.4
147.11693	7.7
149.09642	1.3
149.13286	2.9
151.07538	0.7
154.08665	0.9
155.08551	3.3
157.10133	7.6
158.08138	0.8
159.08096	1.0
159.11705	10.2
161.09598	1.6
161.13274	5.0
163.11147	0.8
163.14853	1.7
169.10150	2.2
170.10997	0.8
171.08131	0.7
171.11679	6.6
173.09636	2.3
173.13280	7.4
175.11270	1.8
175.14818	4.5
177.12834	0.8
177.16405	2.0
180.09337	0.8
181.10175	2.3
183.11615	3.5
185.13295	6.8
187.14804	5.3
189.12808	0.9
189.16391	5.1
191.17987	0.8
193.10172	0.7
195.11664	3.3
197.13264	4.2
198.11288	6.1
199.11212	0.9
199.14841	4.8
201.12740	1.9
201.16379	5.5
203.14423	1.0
203.18005	1.8
207.11604	1.5
209.13339	2.4
211.14839	3.1
213.12752	3.8
213.16429	1.9
215.14339	1.6
215.17859	1.0
221.13245	0.7
222.38928	0.8
223.14851	1.7
225.12830	0.8
225.16437	2.6
227.14340	1.4
227.17862	1.5
229.15828	1.1
231.13864	2.5
237.16431	1.5
239.17969	2.1
249.16563	1.0
253.19556	1.0
274.18042	1.1
279.17596	0.9
281.19376	0.8
285.25772	1.4
290.17239	1.0
295.24213	5.8
297.18588	1.1
313.25226	3.2
319.24237	3.6
337.25397	1.8
356.22406	1.1
415.30176	2.3
421.31369	0.7
433.31088	6.6
439.31995	1.5
451.32166	2.3
474.33932	1.7
492.34723	14.5
510.35773	7.6
517.37097	0.6
535.37781	4.9
553.38934	6.9
594.41785	6.9
612.42609	100.0
613.42987	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	612.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49399	0.1
56.16124	0.1
60.04490	0.1
69.03407	0.2
70.06577	0.1
77.02755	0.1
85.02888	0.3
91.05510	0.2
98.20723	0.2
102.17053	0.1
109.02881	0.2
125.06867	0.1
125.81253	0.1
127.03869	0.2
142.33968	0.1
207.06635	0.2
209.67192	0.1
216.06566	0.3
217.07321	0.3
227.05850	0.2
228.06532	0.3
230.04480	0.5
231.05164	0.2
232.09680	0.3
242.08118	0.5
244.06007	0.3
245.06841	1.7
257.06726	0.1
260.09241	0.3
270.07611	0.5
273.06311	22.8
274.06778	0.1
288.08652	100.0
289.08978	1.1
302.07422	0.2
303.07745	0.2
450.13959	26.4
451.14450	0.7
497.56055	0.1
514.18231	0.1
612.19086	1.9
613.19104	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80127	0.4
53.03936	1.8
54.78427	0.5
55.01860	1.0
55.05514	3.0
57.03428	1.0
59.05001	3.0
60.25678	0.4
61.02919	0.8
65.03936	0.5
67.05488	2.0
69.03430	24.1
69.07046	1.1
70.06598	2.2
71.04728	0.3
71.05000	3.1
71.53738	0.7
72.08156	0.5
73.02904	0.5
79.05484	1.4
81.03419	5.4
81.07044	1.9
81.75668	0.4
82.97533	0.4
83.04990	3.7
84.04533	0.5
85.02903	6.2
85.06542	1.3
86.06059	1.1
86.09698	0.5
87.00829	3.6
87.04487	0.7
91.05447	2.1
93.07043	1.7
95.04969	1.0
95.08595	3.4
97.02325	0.5
97.02878	3.5
97.06590	0.6
98.88062	0.4
99.04459	1.8
99.08080	0.5
101.06012	1.3
105.01856	1.6
105.03378	1.0
105.07020	1.3
107.04957	0.8
107.08584	1.6
109.02870	7.3
109.10132	0.9
111.08060	1.4
111.60915	0.4
115.05415	0.7
117.06994	0.5
119.04916	1.5
119.08580	1.1
120.08098	0.4
121.06486	0.7
121.10109	0.9
123.08062	1.3
125.09667	0.6
127.03919	4.9
128.06184	1.1
131.04922	3.5
131.08501	0.5
134.09700	0.5
136.07536	0.5
137.05960	0.5
137.09604	2.4
143.04898	0.7
143.08511	0.7
145.04929	0.9
147.04434	3.7
147.07988	0.6
149.09564	0.5
155.08499	1.0
159.03091	0.6
159.04411	18.0
162.05515	1.9
163.03900	1.4
163.07555	0.6
167.07054	1.8
171.04488	0.7
171.08066	0.7
173.05989	2.4
175.03903	37.3
176.04524	1.7
181.04988	0.8
183.07962	0.8
185.06065	0.4
187.03908	29.7
187.07504	2.1
189.01839	3.8
189.05460	2.9
191.07057	0.6
195.08043	0.7
197.05969	0.6
198.11273	2.4
199.03876	7.6
199.07547	12.5
200.04526	0.6
201.05418	4.2
201.09100	0.7
203.03418	2.1
203.07005	0.7
207.06520	2.1
209.08043	1.4
211.07623	0.8
212.04700	0.9
213.05478	3.4
213.08957	0.5
215.03432	1.3
215.07018	5.1
217.04948	0.7
217.08563	0.6
223.07574	0.6
225.09010	0.6
227.07018	2.9
229.05002	0.9
229.08623	7.9
231.04919	1.0
239.07039	3.6
241.08592	36.6
243.10204	1.6
245.08134	3.3
247.09651	3.7
251.06987	0.9
253.08644	3.8
257.08127	7.2
259.09708	3.8
269.08093	4.1
269.11749	2.4
271.07001	0.6
271.09653	3.3
273.06345	1.4
283.13373	0.6
288.08685	6.3
289.10678	0.6
293.11707	2.4
298.21597	0.5
301.06833	0.5
311.12787	10.1
313.09177	1.2
329.13831	100.0
330.14084	1.8
331.10187	5.9
347.14893	13.9
360.16776	0.6
504.81604	0.5
507.30023	0.5
514.18915	1.1
527.82062	0.6
612.19525	0.5
612.29926	0.7
613.22723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.05511	12.7
57.03430	5.3
57.07077	4.1
60.27346	1.6
64.75046	1.6
65.03938	3.2
67.05505	35.0
67.82530	1.8
69.07066	10.6
69.46673	3.2
69.47076	11.1
71.04995	2.6
71.08627	2.2
79.05493	26.4
81.07053	32.6
83.04987	2.4
83.08629	5.9
85.10181	1.9
85.37251	1.6
89.06045	2.8
91.05463	24.9
93.07044	29.3
95.04985	4.8
95.08608	33.6
95.09182	2.9
97.10175	4.6
101.30681	1.7
105.07029	25.3
107.08591	18.3
109.10143	14.9
117.06987	9.9
118.52020	1.8
119.08586	21.9
121.10147	13.0
122.68586	1.8
123.11713	6.0
129.07024	5.9
131.08548	16.7
133.10141	17.5
135.11731	8.1
143.08580	10.3
145.10126	15.6
147.11702	13.0
149.13237	4.2
155.08594	5.5
157.10130	10.9
159.11702	14.3
161.13292	9.2
163.14709	1.9
165.64615	1.7
169.10150	6.0
171.11731	8.9
173.13266	11.5
175.14868	4.8
181.10165	2.4
183.11760	6.3
185.13281	9.5
187.14836	4.4
197.13280	4.0
199.14995	3.8
201.16457	3.6
211.14905	3.4
213.16493	3.6
217.83528	2.0
227.18054	3.7
227.94734	1.8
241.19594	7.5
241.76642	1.8
243.20963	2.0
257.18964	1.9
259.20602	12.1
261.22272	4.0
274.16620	1.9
301.25150	2.0
333.24213	8.9
335.25861	17.3
381.27814	2.5
423.32458	2.1
519.42334	5.7
537.43286	5.1
560.78052	1.9
593.45502	7.8
611.46735	100.0
612.47223	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	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.05517	16.3
55.87505	2.0
57.03437	3.0
57.07079	3.8
59.06118	2.9
65.53972	2.2
67.05504	35.8
69.07070	13.4
69.20944	10.4
69.21370	12.1
71.04977	2.1
71.08605	3.0
72.29486	1.9
79.05489	24.0
81.07054	38.0
83.08627	10.3
89.05977	2.3
91.05470	25.1
93.07042	29.2
95.04934	4.5
95.08615	26.2
97.10182	3.1
99.08068	3.1
105.07039	25.4
107.08588	21.1
109.10178	9.9
113.18519	2.3
117.06979	11.0
119.08588	21.8
121.10122	15.4
123.11723	4.5
128.49789	2.2
129.07019	9.7
131.08582	19.4
133.10143	16.8
135.11699	7.5
141.06966	3.9
143.08566	10.6
145.10124	18.1
147.11679	11.6
149.13304	6.1
155.08546	5.9
157.10120	11.4
159.11708	13.7
161.13290	9.8
163.11259	2.5
163.14807	2.5
169.10114	5.8
171.11656	9.9
173.13306	7.3
175.14871	4.9
177.16376	2.8
181.10252	3.9
183.11765	8.1
185.13307	7.2
187.14818	5.0
197.13283	5.3
199.14859	6.5
201.16435	3.1
211.14859	6.2
213.16464	3.6
227.18031	2.7
239.18062	3.5
241.19536	7.1
242.32658	2.1
259.20441	10.6
261.22095	2.1
333.24237	4.0
335.25937	8.3
361.85324	2.6
464.21423	2.1
519.42151	6.4
593.45636	8.8
611.46674	100.0
612.47333	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	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.8
53.03940	2.1
55.01867	2.1
55.05264	0.5
55.05505	12.9
57.03434	3.8
57.07065	2.8
65.03925	1.8
67.05502	31.7
69.07065	12.7
69.31438	4.9
69.31864	2.0
71.04992	1.9
71.08636	0.9
76.96918	0.7
77.03943	0.8
79.05016	1.1
79.05489	24.2
81.07053	36.6
83.04971	1.4
83.08621	6.8
85.06548	1.8
91.05476	22.2
91.06024	1.5
93.07040	28.2
95.04958	3.9
95.08602	29.0
97.06535	2.8
97.10167	3.2
105.07024	24.5
106.43458	0.8
107.08591	16.5
109.09444	0.5
109.10142	13.4
111.08088	1.4
115.05404	0.8
117.07012	11.1
119.08579	22.7
121.10137	15.6
121.10932	1.2
123.08070	1.0
123.11698	5.9
125.09657	1.6
128.06177	1.0
129.07010	8.8
130.07822	1.2
131.08557	18.4
133.10133	19.2
135.08104	0.8
135.11682	10.5
137.13240	1.1
141.06969	2.2
142.07797	1.5
143.08559	9.6
144.09244	1.2
145.10114	17.4
147.11696	13.3
149.09532	0.8
149.13246	6.0
151.11192	0.8
155.08533	4.2
157.10132	11.1
159.11688	15.1
161.13269	11.1
163.14851	3.7
167.08521	1.4
169.10097	6.5
170.10870	0.9
171.11684	10.6
173.13268	11.2
175.14810	5.7
177.12831	0.8
181.10121	2.0
183.11707	6.0
185.13252	8.4
187.11243	0.8
187.14790	5.8
189.12675	1.1
189.16385	1.7
195.11723	1.7
197.13312	4.7
199.13184	1.2
199.14754	6.0
201.16435	2.7
209.13333	2.6
211.14821	2.5
213.16470	3.1
215.17978	1.9
217.19524	1.5
221.13377	0.8
223.14903	1.9
225.16402	2.0
227.18158	1.4
229.19557	1.8
231.21028	2.0
237.16463	1.6
239.18021	2.0
241.19576	8.1
243.21150	2.2
251.41887	0.8
253.19690	1.0
257.19052	2.7
259.20551	14.3
261.22168	3.6
275.20142	0.9
279.20868	0.8
283.20709	0.9
283.23801	1.1
285.22076	1.1
287.23645	1.1
297.22119	1.1
299.23679	1.3
311.23666	0.9
313.25235	1.0
315.23169	1.4
317.24948	1.1
325.25229	1.0
333.24200	10.6
335.25784	15.8
337.27670	1.3
339.26831	1.6
353.28586	1.8
369.27802	0.8
381.31732	1.0
395.33185	1.2
423.24915	0.8
423.32077	0.9
489.35724	1.0
501.41290	1.1
519.41931	6.8
529.38416	0.8
537.43231	5.0
541.39001	1.7
593.45679	9.7
611.46649	100.0
612.47052	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	611.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01868	9.2
55.05517	26.2
57.07074	11.1
59.05011	3.2
60.04518	1.9
60.96856	2.4
61.02930	3.0
62.50087	2.5
65.03927	4.4
67.05501	32.0
69.03431	18.7
69.07071	79.8
70.06602	11.5
70.65408	5.6
70.65753	2.8
71.04993	10.2
71.08623	5.3
72.08144	3.3
72.90384	2.2
79.05492	20.7
81.03420	20.8
81.07058	83.6
83.04998	4.0
83.08617	23.7
84.08188	2.8
85.02905	33.3
85.06532	22.9
87.00843	11.5
91.05460	18.5
92.39730	2.2
92.52549	2.2
93.07038	45.1
95.04985	12.6
95.08605	80.3
97.02898	11.4
97.06537	38.2
97.10178	11.0
97.61988	2.4
99.04472	5.2
99.08096	7.2
103.74292	2.4
105.01872	4.8
105.03364	3.0
105.07030	22.7
107.04954	4.7
107.08595	43.0
109.02897	13.6
109.06523	7.1
109.10160	61.2
111.08080	44.6
111.11715	17.6
115.05460	3.2
117.07001	3.6
118.04983	2.5
119.04931	7.5
119.08563	15.2
121.02842	4.9
121.06501	4.9
121.10146	26.7
123.04416	9.2
123.08081	3.3
123.11709	36.9
125.09644	8.8
127.03928	17.1
127.11201	3.4
129.06973	3.4
131.04926	3.1
131.08559	6.1
133.06503	5.4
133.10136	10.4
135.04387	6.7
135.08092	3.3
135.11693	19.4
137.06007	3.4
137.09586	3.1
137.13243	19.2
139.11201	6.1
143.08623	3.0
145.04968	5.2
145.10164	5.6
147.04402	12.5
147.11700	8.4
149.05980	3.3
149.13269	56.8
149.14400	4.7
151.03902	5.4
151.07462	2.9
151.14813	3.3
157.10184	4.0
159.11674	4.6
161.09685	3.8
161.13261	4.9
162.05545	9.6
163.14825	9.4
165.12790	6.0
165.16428	5.7
167.07063	24.4
167.14316	3.1
173.04492	7.2
173.05972	3.7
175.03923	11.0
177.05438	5.5
179.07118	3.1
179.17949	4.4
181.04976	9.6
181.08728	3.7
201.09175	2.7
203.10544	2.8
205.19534	40.2
207.06535	23.1
208.06792	4.2
217.08662	2.6
217.19481	3.4
223.20566	55.8
241.21643	37.5
271.06036	6.6
273.06720	3.3
273.25726	11.2
285.07559	3.2
287.05493	8.0
287.12903	3.1
291.26816	39.5
297.07703	4.2
303.04971	5.0
309.27899	100.0
310.28348	3.9
327.08627	6.3
327.28967	11.4
331.08463	2.7
337.10724	3.0
345.24030	4.1
401.16168	2.9
402.30215	2.6
429.11731	4.7
446.17065	2.9
447.12708	9.2
471.26266	2.8
611.21124	9.0
611.30725	11.5
612.21838	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	611.1603
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03935	0.3
55.01880	0.3
56.61027	0.1
57.03426	0.6
60.45499	0.2
61.02921	0.7
63.92685	0.1
64.45993	0.2
68.99789	0.4
69.03428	1.7
69.19022	0.2
69.36833	0.2
69.46928	1.3
69.47234	0.2
71.04994	0.4
73.02886	0.2
81.03403	1.0
81.38845	0.2
85.02904	5.8
87.04444	0.3
90.38913	0.2
97.02885	2.2
99.04458	0.4
106.39904	0.2
109.02870	0.6
111.00822	0.4
121.02870	1.7
122.97694	0.2
127.03920	1.2
133.02840	0.3
137.02348	0.7
145.04939	0.8
147.04398	0.2
153.01833	2.3
157.06479	0.3
165.01819	1.2
183.02928	0.7
185.05988	0.4
213.05444	0.9
231.06517	0.4
241.04950	0.6
258.05209	0.8
259.06082	0.3
287.05496	100.0
288.05847	2.7
336.95413	0.2
341.93121	0.2
449.10779	6.0
450.10892	0.3
573.42828	0.2
598.05060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03944	0.2
55.01851	0.3
57.03193	0.2
57.03436	1.8
59.04999	0.2
60.28644	0.1
61.02907	0.5
68.99780	0.5
69.03436	1.2
70.00562	0.6
70.00959	0.3
71.04989	11.3
72.08131	0.2
73.02894	0.4
74.66500	0.2
75.04457	0.5
81.03391	0.6
81.45193	0.1
83.04968	0.5
85.02901	15.6
87.04452	0.4
91.03934	0.3
93.03402	0.2
97.02889	1.4
99.04432	0.3
102.06377	0.2
109.02873	0.5
111.00818	0.7
111.04432	0.4
121.02841	0.7
123.04379	0.3
127.03915	1.1
129.05476	3.8
135.04433	0.2
137.02313	2.2
137.03285	0.2
145.04944	1.2
145.06496	0.2
145.24356	0.2
147.06509	0.8
149.02274	0.3
153.01811	2.7
161.05936	0.3
163.03873	0.4
165.01848	1.6
166.02611	0.2
168.42783	0.1
173.05951	0.3
175.04080	0.2
183.02881	0.6
183.04300	0.2
187.03941	0.2
195.02841	0.2
201.05489	1.2
228.04239	0.2
229.02902	0.2
229.04988	3.2
239.03493	0.2
247.06053	0.6
257.04449	2.0
274.04706	0.5
275.05481	0.2
285.03891	0.9
287.05450	2.6
303.04968	100.0
304.05304	2.7
345.06351	0.2
465.10303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01883	1.2
55.05504	0.7
65.03915	1.1
67.05497	2.0
69.03415	2.6
69.07069	0.6
70.06581	2.6
70.81048	1.4
70.81400	0.9
71.05013	1.1
79.05475	2.1
81.03420	6.1
81.07061	2.9
83.04997	0.9
83.08615	0.9
84.08140	0.9
85.02891	2.5
85.06509	0.7
86.09704	1.2
91.05466	18.5
93.07032	3.7
95.04961	3.2
95.08588	2.6
97.02891	1.9
97.06546	0.6
99.04434	1.4
103.05444	2.2
105.03390	39.4
105.07027	2.5
107.04951	1.1
107.08556	1.2
109.02842	1.8
109.06544	0.6
109.10136	1.2
111.08032	0.7
116.07092	1.5
119.04941	27.5
119.08591	0.7
120.05251	0.7
120.08122	1.0
121.02875	0.9
121.06504	27.0
121.10137	1.1
122.06844	0.7
123.11605	0.6
127.03931	1.7
129.03400	0.7
131.04893	1.1
131.08546	1.2
132.02032	1.2
133.02864	1.3
133.10158	0.7
134.06088	0.7
135.04387	1.1
135.11745	0.8
136.05264	0.7
137.05951	1.7
145.10109	1.3
147.04411	25.3
147.11674	1.0
148.04813	0.7
149.02335	0.8
151.07536	1.0
157.03941	2.5
161.05992	0.6
162.05484	1.1
164.04684	0.9
167.03336	0.9
167.07089	1.6
173.06000	0.7
173.08357	1.1
175.03906	43.0
176.04253	1.0
177.05501	1.1
179.07011	2.1
181.04820	0.7
192.04225	1.4
196.07562	1.3
200.07062	2.6
207.06525	100.0
208.06903	1.5
211.09499	0.6
213.08934	0.6
225.07541	1.1
227.05751	3.7
242.08107	91.0
242.11774	38.6
243.08383	3.3
243.12161	0.7
287.05396	1.0
301.07095	0.8
302.07413	0.7
310.08011	1.1
336.09988	0.7
340.09039	0.9
348.21118	0.8
351.10809	5.2
355.06967	1.6
369.11807	6.0
394.09933	0.9
403.32281	0.6
424.11050	0.9
442.11780	0.7
448.12335	0.7
472.13245	1.2
520.32574	0.9
578.20837	1.3
591.35443	0.6
592.34985	1.5
610.28253	1.3
610.36823	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Camelliaside C
Peak:m/z	Relative Intensity
53.03928	0.9
54.50281	0.8
55.01867	0.9
55.05484	1.0
57.03397	2.7
57.03662	0.8
58.99557	0.8
61.02882	2.5
65.03913	0.8
66.26673	0.6
68.99767	0.9
69.03432	6.6
69.07050	0.9
70.06599	7.4
70.58730	2.1
71.04956	2.4
72.08112	2.3
73.02879	1.3
76.02226	6.7
77.02518	0.8
79.01819	0.8
79.05475	1.5
80.13943	0.7
81.03423	9.4
81.07034	1.2
82.03707	1.1
83.04955	1.1
83.08539	0.8
84.04467	2.0
84.08107	2.1
85.02909	21.3
86.09664	2.6
87.04478	0.7
91.03922	0.8
91.05437	2.2
93.06982	1.3
95.04917	2.1
97.02896	7.1
99.04411	1.6
105.03380	1.1
105.07003	1.1
107.04938	1.4
109.02879	4.3
110.07153	1.3
112.07583	1.0
116.01656	1.1
116.07058	1.2
119.04944	1.6
120.08030	0.9
121.02854	6.2
121.10101	0.9
123.00732	1.0
123.08080	1.1
125.02290	0.7
127.03914	6.3
129.06944	0.7
129.10205	1.3
130.04971	0.8
135.04372	2.8
137.02351	10.3
137.03329	0.8
143.08563	0.9
145.04984	4.2
147.04361	2.4
149.02335	1.4
151.03909	0.8
153.01840	5.1
161.02319	1.6
162.02203	1.6
163.03874	1.6
165.01866	3.7
165.05447	0.9
167.03334	1.5
169.68083	0.6
171.02867	1.2
175.03883	1.5
177.01921	1.3
179.03452	1.1
179.04840	4.4
183.02948	3.2
187.03880	1.4
187.07336	0.9
191.03375	1.4
193.04849	0.7
193.12245	1.1
195.02917	4.6
198.17249	0.7
207.06541	1.7
213.05518	0.9
217.04924	1.7
219.02792	0.7
227.06837	0.8
229.04990	3.4
241.04817	0.7
243.02780	1.5
243.06392	1.2
244.07158	0.7
257.04520	3.7
258.05237	1.5
259.06067	3.3
261.03891	4.1
271.05975	3.2
272.06827	4.9
275.05450	0.7
283.06018	3.7
284.06723	0.8
285.03894	0.8
286.04691	1.7
287.05511	83.1
288.05762	2.0
295.06284	0.8
297.07532	1.0
299.05505	58.6
300.06259	24.6
301.06958	2.7
303.05020	32.7
304.05316	0.8
308.09036	4.2
309.09348	3.3
311.05521	24.3
313.03525	1.4
313.06976	9.7
323.05450	2.8
324.06290	3.4
325.07120	7.5
327.04984	2.4
329.06552	100.0
330.07120	3.2
333.47473	0.7
337.07153	1.0
339.04904	1.8
339.08640	12.2
341.06671	4.2
343.08075	1.0
353.06558	22.0
359.07581	4.2
365.06546	2.0
367.08096	4.8
371.07651	2.3
377.06885	1.1
383.07565	6.2
395.07605	7.9
413.08658	19.2
414.09525	0.8
431.03690	0.9
431.09766	26.4
449.10815	89.6
450.11108	2.6
453.63470	0.6
491.11917	4.7
496.55234	0.7
610.76617	0.8
611.15778	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	610.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.2
55.05505	0.3
62.41251	0.1
65.03944	0.2
67.05487	0.7
69.03413	0.3
69.12164	0.1
69.48060	0.3
69.48467	0.8
70.06573	0.5
70.06927	0.1
71.04989	0.1
73.78554	0.1
77.69224	0.1
79.05485	0.4
81.03410	1.0
81.07047	0.5
83.04962	0.2
83.08596	0.3
84.08125	0.2
85.02899	0.6
85.06557	0.2
86.09734	0.2
91.05454	1.8
93.07040	0.5
95.04967	0.3
95.08591	0.4
96.23781	0.2
97.02862	0.2
97.06517	0.2
98.21508	0.2
103.05518	0.2
105.01888	0.2
105.03387	1.4
105.07018	0.2
107.04986	0.2
107.08585	0.5
109.02865	0.4
109.10166	0.4
116.07083	0.3
117.06966	0.2
118.97951	0.2
119.04945	2.2
119.08591	0.2
121.02844	0.2
121.06475	0.8
121.10157	0.4
127.03909	0.4
131.08560	0.2
133.10139	0.2
137.06047	0.2
143.08662	0.2
147.04416	2.1
147.11639	0.2
151.07478	0.2
157.03899	0.2
162.05380	0.2
162.09190	0.2
162.97067	0.2
164.04810	0.1
167.07027	0.5
168.08214	0.2
172.07568	0.3
173.08366	0.7
173.09616	0.2
174.09132	0.6
175.03912	3.4
177.05432	0.2
179.07047	0.2
181.05038	0.2
196.07564	1.7
200.07059	3.4
207.06534	8.3
208.06839	0.2
214.08730	0.2
218.08073	0.2
224.07101	0.5
227.05779	3.4
242.08113	100.0
243.08508	2.1
259.99841	0.5
272.06076	0.3
292.18964	0.2
302.07401	0.2
310.07651	0.2
322.75125	0.1
328.08932	0.2
340.08951	0.2
344.22461	0.2
351.10721	0.6
360.06897	0.2
362.06610	0.4
369.11780	0.5
472.12881	0.3
566.30847	0.2
578.21112	0.2
592.34473	0.5
610.18427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
54.38616	1.0
55.01863	1.4
55.05508	17.2
56.00647	0.8
57.03428	3.3
57.07072	2.8
65.03944	1.7
67.05504	26.1
69.06730	1.3
69.07073	14.0
71.05000	1.2
71.53342	1.3
71.92562	0.9
72.07678	0.9
79.05492	17.3
81.07054	28.4
81.86553	0.9
83.04993	1.6
83.08630	6.5
85.06568	2.0
91.05477	15.1
93.07041	17.8
95.04956	2.4
95.07994	1.1
95.08607	22.0
97.06532	2.5
97.10180	2.7
103.05473	1.1
105.07034	19.3
107.08611	11.5
109.06554	1.1
109.10147	12.3
111.08103	1.1
115.05457	1.0
117.07024	10.3
119.08577	14.8
121.10130	9.2
123.08036	1.6
123.11690	2.8
125.09666	1.4
128.06229	3.1
129.07016	12.2
131.08565	17.3
133.10120	12.5
135.11691	6.2
141.06978	4.8
142.07811	3.0
143.08553	15.3
145.10124	17.4
146.16582	1.0
147.08195	1.3
147.11700	7.4
149.09587	1.7
149.13289	2.7
153.07036	1.6
155.08548	15.5
156.09370	1.0
157.10129	16.9
158.10913	1.3
159.11673	13.0
161.13324	3.0
165.07072	1.6
166.07913	1.1
167.08528	5.1
168.09373	2.3
169.10144	15.5
170.10867	1.3
171.11682	14.6
172.12393	1.0
173.13246	7.8
175.14786	1.5
179.08566	3.3
181.10135	8.6
182.10921	1.7
183.11693	18.5
183.13237	1.3
185.13231	10.7
187.14825	3.5
189.16310	1.7
193.10155	3.1
195.11690	11.2
197.13260	14.3
198.14064	1.6
199.14833	7.2
200.40536	0.9
207.11746	3.2
209.13292	9.3
211.14748	6.9
213.16330	5.1
219.11583	1.3
221.13263	3.7
223.14806	6.8
225.16382	4.6
227.18001	4.2
233.13452	1.0
235.14812	3.3
237.16344	4.7
239.18077	3.4
241.19603	3.0
249.16571	2.3
251.18019	2.8
253.19609	1.5
265.19681	1.9
275.20081	1.5
283.20538	1.7
297.22336	1.1
299.20325	1.1
309.22089	1.0
321.22348	1.4
323.23718	1.6
335.26630	1.0
337.25339	1.5
345.24768	1.2
351.23105	1.3
351.26932	2.2
355.26242	1.7
365.28470	2.1
407.29266	1.1
447.32416	1.5
499.39609	2.6
517.40533	15.8
535.41394	8.0
539.37488	1.2
565.42535	1.2
573.42542	1.8
591.44012	13.2
609.27094	7.8
609.45117	100.0
610.45691	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01868	1.9
55.05497	2.2
57.03423	2.3
57.07076	0.9
61.02914	2.5
65.03915	0.9
67.05508	5.9
68.99809	0.7
69.03429	7.9
69.07061	5.7
69.22484	3.8
69.22913	3.3
70.06590	10.1
71.04976	2.7
71.06924	0.9
72.08134	1.3
73.02907	1.4
79.05474	3.1
81.03413	7.1
81.07056	13.6
83.04961	1.6
83.08621	1.6
84.08119	1.3
85.02905	15.9
85.06532	2.8
85.56593	0.7
86.09699	1.9
87.00841	1.0
87.04446	0.8
91.05460	5.9
92.05786	1.1
93.07034	7.2
95.04956	3.0
95.08604	6.0
97.02895	7.2
97.06535	2.1
99.04444	2.3
100.11263	0.8
103.03961	1.2
105.03394	8.9
105.07035	5.6
106.03714	2.8
107.04945	1.5
107.08582	6.0
109.02870	5.8
109.06499	1.1
109.10158	6.3
110.07144	0.8
111.08069	2.0
111.11654	0.8
112.07631	2.0
116.80345	0.8
117.07017	1.8
119.04951	5.3
119.08571	3.1
121.00565	0.8
121.02877	2.6
121.06522	1.0
121.10156	5.3
123.04458	1.2
123.08086	1.0
123.11701	5.3
125.05949	1.1
125.09616	1.3
127.03896	6.1
131.04924	1.1
131.08582	1.6
133.06479	5.3
133.10115	2.6
135.04427	9.6
135.11720	2.7
137.05913	1.0
137.09604	1.0
139.11089	1.2
145.02837	1.5
145.05008	1.1
145.06525	1.0
145.10130	1.8
147.04414	5.5
147.07982	1.0
147.11688	1.9
148.04756	1.0
149.02315	1.3
149.05946	1.3
149.13246	1.8
151.03896	1.3
151.11153	2.4
153.12730	1.0
159.04411	2.7
159.11708	1.5
161.09595	1.1
161.13245	1.1
163.03899	2.0
163.07556	1.0
163.11116	1.1
163.14774	0.9
165.01833	5.5
165.05475	1.0
165.12756	2.9
167.03397	3.2
167.07021	2.0
169.12202	2.1
173.09662	1.2
173.13237	1.0
175.03899	6.7
175.11427	0.9
175.14914	1.4
176.04297	1.4
177.01872	1.8
177.05467	3.4
179.03340	1.1
181.04993	1.5
182.15297	0.9
183.02875	3.2
185.09688	0.9
187.14854	0.9
189.01964	0.8
191.03409	0.8
193.05066	0.9
195.02882	3.4
200.43593	0.7
201.05507	1.1
203.03456	1.0
205.04994	3.2
207.06535	16.6
208.06877	5.5
215.03201	0.9
219.02925	0.9
240.10138	1.4
242.05722	1.2
243.06494	1.1
245.22652	1.5
255.13725	1.1
258.05328	1.6
266.05743	3.1
269.07971	1.1
270.05167	1.5
270.08643	0.9
271.06039	2.7
271.24164	1.0
277.25159	1.9
280.07251	3.4
281.08109	7.9
282.05399	1.2
282.08725	1.5
284.06778	5.9
285.07559	11.5
286.04669	3.4
286.07571	1.1
289.25363	7.6
293.08066	1.1
294.05438	1.0
294.08701	1.0
295.06418	1.0
295.09647	5.9
297.07571	63.8
298.08209	15.4
299.08853	1.0
301.07047	13.5
302.07053	0.9
307.26166	4.8
308.06824	5.0
309.07605	14.6
309.11032	1.7
310.07956	1.5
311.09174	2.1
312.06143	1.5
319.09521	1.3
321.07596	5.9
322.08353	4.0
323.05728	1.1
323.09091	16.1
324.09442	1.3
325.06958	1.4
325.21625	0.9
327.08621	100.0
328.09018	9.1
335.09128	3.0
336.09821	1.3
337.06903	1.0
337.10696	10.9
338.11057	1.1
339.08682	6.7
347.09018	2.2
350.08051	0.9
351.08594	41.7
352.09167	3.1
363.08722	8.0
364.08987	1.3
365.10452	4.0
375.08578	6.3
379.12213	0.8
381.09650	20.4
382.09927	1.1
389.10339	1.0
393.09656	16.8
394.09915	1.5
405.09872	2.0
411.10742	17.4
412.11008	1.7
417.09586	1.8
423.10724	2.4
429.11789	28.1
429.16949	1.1
430.12167	2.5
435.10638	1.2
441.11746	2.9
447.12793	17.6
448.13266	1.8
453.12131	1.7
471.12686	5.5
486.92801	1.0
488.40988	1.0
489.13599	2.1
513.13855	1.7
537.13586	1.8
555.14917	1.5
573.16699	1.6
577.20490	1.3
609.27209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01875	1.1
55.05499	2.4
57.03442	2.3
57.07072	1.2
63.49643	1.0
67.05508	4.9
69.03430	5.5
69.07066	6.5
69.45807	5.9
70.06599	8.6
71.04981	3.5
72.08154	1.0
73.02898	1.5
79.05493	4.6
81.03422	7.1
81.07060	12.7
83.04976	1.8
83.08653	1.2
84.04493	1.4
84.08134	2.0
85.02904	13.0
85.06529	3.5
86.09715	3.0
91.05461	8.2
93.07046	9.8
95.04965	4.3
95.08610	10.2
97.02894	4.3
97.06544	1.5
97.10166	1.6
99.04462	2.4
99.08120	0.9
103.05431	1.5
105.03399	3.2
105.07050	8.1
107.04953	2.2
107.08595	5.5
109.02886	4.4
109.06538	1.5
109.10165	7.3
111.11732	1.6
116.06313	1.1
116.07018	1.0
117.07008	2.5
119.04950	5.6
119.08617	5.9
120.10513	0.9
121.06489	2.5
121.10133	6.2
123.11729	7.3
125.09626	1.2
127.03947	5.6
131.04947	2.0
131.08672	2.1
132.05687	1.3
133.06499	5.0
133.10167	2.8
135.04402	8.2
135.08057	1.2
135.11723	2.5
137.05971	2.3
137.09641	1.3
137.13354	1.0
139.11140	2.2
143.08531	1.2
145.04910	2.3
145.06509	1.4
145.10121	3.6
147.04404	6.3
147.11665	2.5
149.13280	1.8
151.03954	1.6
151.07478	1.1
151.11185	3.0
153.01883	2.0
153.12732	1.1
155.08580	1.4
157.06487	1.5
159.08089	1.3
159.11716	2.0
160.07559	1.4
161.09563	1.2
161.13335	1.6
163.03888	1.0
163.14738	1.3
165.01805	1.9
165.12762	3.0
167.07027	3.0
171.11812	1.3
173.09549	1.1
173.13266	1.1
175.03915	6.8
177.05437	2.9
181.05005	3.2
183.22995	1.1
185.09641	1.2
193.04848	1.1
195.02971	1.6
199.07491	1.5
203.06967	1.3
207.06543	13.1
211.10989	1.4
213.08948	1.3
218.11844	2.3
242.05786	2.5
254.06648	1.0
255.13803	2.7
258.05243	8.7
270.05167	2.8
271.05960	6.1
271.13312	1.3
271.24380	2.1
272.06454	1.6
273.14780	1.6
279.09744	1.0
284.06729	1.7
285.07574	28.7
286.04730	11.8
286.07773	2.2
287.05191	2.2
289.25253	5.3
297.07571	12.3
298.08246	3.9
301.07068	100.0
302.07410	6.1
307.26300	6.5
308.06845	1.5
309.07544	9.7
311.09116	1.9
312.06039	1.0
321.07562	3.4
322.08090	1.5
323.09030	2.1
325.21835	1.4
327.05017	2.0
327.08658	25.6
328.08734	1.6
335.09116	2.7
337.10669	2.8
339.08771	8.2
340.09341	1.4
349.10883	1.3
351.08530	9.3
363.08514	3.2
365.10196	2.4
366.58548	1.1
369.09601	1.4
375.08572	2.4
380.16962	2.5
381.09720	3.0
393.09833	6.3
405.09674	2.7
411.10693	3.3
417.09702	1.9
423.10696	3.5
429.11633	5.6
435.10846	2.5
441.11725	4.1
447.12833	9.2
448.13354	1.2
453.11789	2.1
463.12289	8.9
464.12543	1.6
471.13028	6.4
489.13867	2.7
495.12936	2.8
513.14117	1.7
525.13696	2.7
537.13623	1.9
555.14722	2.1
577.20868	1.8
591.17078	1.3
609.17584	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05494	0.6
67.05495	1.6
69.07053	0.7
69.94844	3.0
75.14393	0.6
79.05482	1.0
81.07050	1.2
91.05475	0.9
93.04938	0.5
95.08596	0.9
98.20747	0.7
105.07048	1.0
107.08542	0.6
131.08578	0.7
145.10143	1.2
173.59373	0.5
201.40019	0.5
239.18082	1.0
266.16779	0.6
267.85544	0.6
275.19992	0.8
345.15063	0.6
376.16772	0.9
377.17401	0.8
378.19296	0.5
387.53387	0.5
389.18756	0.5
390.18695	1.2
391.19086	2.9
392.20026	1.6
399.16626	0.8
403.19452	0.8
404.20486	0.9
405.20828	2.5
406.21600	2.2
407.22418	2.4
413.17700	0.7
415.19211	2.1
416.20065	0.6
417.21106	0.6
419.18405	0.7
420.23566	0.7
421.23862	4.4
422.24722	0.8
426.18643	0.6
427.18509	0.7
429.20731	2.3
430.21860	1.6
431.18210	0.9
432.19522	1.1
433.20123	1.8
433.24710	1.2
441.21567	0.6
443.22928	0.8
444.22952	1.1
445.20328	1.7
447.18030	1.4
449.23669	0.9
457.23795	2.3
459.21667	2.0
460.22748	1.9
461.19171	5.0
462.20456	2.3
463.20917	1.1
472.23074	0.7
473.19162	0.6
475.21152	8.5
476.21628	5.5
477.22592	5.0
478.23615	1.3
479.24179	1.4
485.23703	7.9
486.20068	3.1
487.25421	0.9
489.22998	4.6
493.22614	0.6
494.26874	1.0
499.21408	1.8
500.22150	1.9
502.23770	0.7
503.24554	6.8
504.24957	0.9
507.24374	0.6
513.23053	1.4
515.24304	7.1
517.22107	1.0
521.26086	2.8
531.23932	15.6
532.24548	1.4
533.25305	0.6
535.23450	0.8
541.22479	1.3
548.24591	0.7
549.25067	2.0
550.25702	4.6
559.23376	7.1
577.24194	1.6
591.26031	35.4
592.26404	1.8
609.27057	100.0
609.44397	2.4
610.27533	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	609.2706
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
64.54049	0.4
67.05503	2.2
69.07062	0.9
69.54818	3.5
79.05487	1.8
81.07057	2.4
91.05489	1.0
93.07051	1.9
95.08610	1.4
98.20798	1.1
103.68440	0.6
105.07017	1.7
107.08571	1.3
119.08594	1.3
129.06950	0.6
131.08614	0.8
133.10135	0.6
145.10162	1.3
149.13350	0.6
174.06566	0.6
179.14326	0.5
183.11783	0.6
197.20778	0.6
207.17235	0.6
238.14667	0.6
275.20047	1.1
290.31201	0.6
327.36118	0.6
351.08578	0.6
376.17310	0.8
377.17902	1.1
390.18658	1.6
391.19278	2.0
401.17935	0.7
404.20456	1.1
405.20865	2.9
406.21695	1.6
407.22330	3.7
413.18570	0.6
415.19388	1.2
418.17770	0.7
419.22623	1.7
421.23932	3.4
422.24487	0.6
429.20758	2.1
430.21918	0.8
432.19839	1.3
433.20135	1.8
440.00546	0.6
444.23126	1.5
445.20169	1.5
447.18274	2.0
451.21674	0.6
456.20471	0.6
457.24170	1.5
459.21848	1.8
460.22815	1.0
461.19269	6.2
462.20215	2.5
463.21075	1.4
472.22565	0.9
474.20413	1.0
475.21033	7.9
476.21906	6.4
477.22308	4.3
478.23239	0.9
485.23572	5.8
486.20544	2.4
487.21326	0.8
488.22278	0.9
489.22980	4.9
493.21756	1.2
494.26950	1.5
499.21436	4.3
500.22037	2.2
503.24612	7.0
504.22409	1.0
505.22681	0.9
507.24048	1.0
513.22943	1.0
515.24481	6.4
517.22504	2.4
521.26337	2.9
531.23712	8.9
532.24365	0.9
535.23486	1.3
549.24701	2.3
550.25610	5.0
559.23395	5.0
563.26654	1.7
577.24097	2.7
591.26099	12.9
609.27057	100.0
609.44812	4.9
610.27216	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	609.1812
Annotation	Biochanin A 7-O-gentiobioside
Peak:m/z	Relative Intensity
50.92690	0.1
59.12327	0.1
61.02902	0.2
67.05547	0.1
69.03414	0.4
70.06575	0.3
70.68814	0.2
70.69193	0.2
71.04971	0.1
73.33268	0.1
79.05507	0.2
81.03394	0.3
81.07037	0.3
85.02899	1.5
85.68845	0.1
91.05431	0.2
93.07005	0.1
95.08597	0.2
97.02918	0.5
103.63519	0.1
105.01804	0.1
105.07017	0.1
109.02853	0.3
109.06568	0.1
119.08614	0.1
121.10152	0.2
127.03901	0.4
133.06499	1.1
135.04396	0.3
145.04939	0.4
147.04391	0.2
147.11661	0.1
147.49211	0.1
153.01802	1.3
159.04443	0.3
164.55563	0.1
167.06856	0.1
171.02863	0.3
175.03795	0.1
185.14413	0.1
207.06467	0.2
215.71951	0.1
217.92802	0.1
239.07062	0.2
242.05721	11.6
243.06273	0.3
261.41837	0.1
270.05219	10.3
271.05692	0.3
280.01804	0.1
285.07553	100.0
286.04803	0.2
286.07870	2.7
297.07562	0.7
301.07053	1.2
309.07547	0.4
321.07642	0.2
327.08612	0.8
339.08804	0.2
351.08633	0.5
363.08575	0.2
375.08359	0.2
381.09653	0.2
393.09567	0.3
405.09784	0.2
411.10733	0.2
429.11942	0.1
441.11594	0.2
447.12756	1.0
471.12808	0.3
609.18622	0.3
623.94025	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	609.181
Annotation	Isoswertisin 4'-O-glucoside
Peak:m/z	Relative Intensity
51.19958	0.3
52.24425	0.2
53.03915	0.8
55.01867	1.0
57.03439	1.4
59.40928	0.2
61.02921	1.6
68.99773	0.6
69.03425	4.1
69.61002	1.2
70.06554	0.3
70.38447	0.2
71.04944	0.6
73.02883	0.5
74.76241	0.2
79.24433	0.2
81.03413	3.1
81.07034	0.4
85.02902	10.3
87.04429	0.4
91.03926	0.4
91.05480	0.3
92.55337	0.2
95.04940	0.4
95.08567	0.3
96.30909	0.2
97.02881	3.5
98.20798	0.2
99.04404	0.8
103.03900	0.7
107.04929	0.2
109.02893	2.1
112.80921	0.2
119.04882	0.3
121.02837	1.4
123.00869	0.3
127.03896	1.8
132.05711	0.2
133.02829	0.4
133.06473	3.9
135.03418	0.4
135.04410	6.6
137.02269	0.4
141.01836	1.3
145.02846	0.3
145.04906	0.7
149.02339	1.4
153.01765	0.4
159.04422	2.3
163.03941	1.2
165.01830	8.7
166.02513	0.2
167.03397	3.5
167.07036	0.2
175.03850	0.5
177.01805	1.2
177.05470	1.4
178.99915	0.2
179.03340	0.5
179.98303	0.2
181.04927	0.6
183.02896	3.5
187.03891	0.8
191.03363	1.2
195.02885	3.2
201.05438	0.7
203.03265	0.2
205.04926	0.7
207.02838	0.4
207.06392	0.5
215.03329	0.6
216.07887	0.3
216.83476	0.2
224.33656	0.3
227.07007	0.3
231.02791	0.3
233.04416	0.8
238.06297	0.2
241.08324	0.2
242.05692	0.5
243.02824	0.5
243.06525	0.8
252.07753	0.3
253.08659	1.1
254.05632	0.4
255.06517	0.5
256.07220	0.6
261.03818	0.6
266.05682	2.4
267.06311	0.3
269.04590	0.2
269.08066	0.8
270.05334	0.6
270.08932	0.9
271.05975	0.3
276.07849	0.4
280.07272	4.7
281.08075	8.2
282.05304	1.2
282.08173	0.4
283.05835	0.5
284.06772	5.5
285.07550	9.6
286.04749	0.4
291.10147	0.3
292.07529	0.2
293.07965	1.1
294.05167	1.9
294.08810	2.0
295.06265	0.5
295.09628	6.5
296.06726	0.3
297.07547	80.4
298.08264	12.3
299.08881	0.9
301.06985	2.2
307.09488	0.7
308.06790	4.1
309.07651	11.1
309.11133	2.1
310.08002	0.6
311.05478	0.6
311.09103	2.8
312.06250	2.0
313.07217	0.2
319.09607	1.9
320.06747	0.4
321.07504	2.7
322.08347	2.5
323.05585	1.7
323.09073	19.3
324.09552	0.8
325.07089	0.8
327.08597	100.0
328.08954	3.1
332.06720	0.7
334.08551	0.3
335.09021	2.4
336.09445	0.2
337.07123	0.7
337.10654	15.1
338.10901	0.7
339.08521	1.1
347.09097	3.2
349.07065	0.4
349.10742	0.5
350.07913	0.6
351.08609	40.7
352.08939	1.3
363.08603	10.2
364.08936	0.3
365.10168	2.8
369.09589	0.4
375.08585	8.2
376.08707	0.3
381.09656	28.2
382.09952	1.0
393.09656	18.6
394.10028	0.5
411.10715	22.1
412.11047	0.6
429.11792	34.1
430.11929	1.1
435.10385	0.3
441.11862	0.3
443.01556	0.3
447.12839	29.5
448.13007	1.3
456.11209	0.3
471.12869	0.4
489.13718	0.5
609.18121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1806
Annotation	Cytisoside 7-O-glucoside
Peak:m/z	Relative Intensity
52.97631	0.7
57.03415	1.4
60.58652	0.8
61.32648	0.7
69.03426	4.2
69.93774	3.5
71.05000	1.5
73.02917	0.8
79.01867	1.4
81.03414	2.7
85.02906	13.8
91.97787	0.7
97.02888	3.2
100.60712	0.7
109.02858	1.4
121.02897	1.1
127.03909	2.6
133.06503	4.6
135.04404	19.6
145.04947	1.3
147.10994	0.8
149.05905	0.8
159.04422	1.8
165.01846	2.7
167.03423	1.2
177.01796	1.7
183.02855	1.7
189.01817	1.2
195.02888	6.2
196.56941	0.7
217.04988	1.7
227.06985	2.2
239.89096	0.7
241.08484	1.0
242.05756	2.1
243.02965	2.0
255.06325	0.8
256.07373	2.4
257.08087	2.1
258.05264	3.1
261.03809	1.3
266.05811	2.8
268.07239	1.1
269.08032	2.4
270.05261	2.4
270.08685	3.8
280.07413	1.7
281.08084	2.0
282.05527	0.8
282.08813	1.1
284.06845	3.1
285.07565	36.8
286.04727	10.7
286.07809	1.5
293.08157	1.2
294.05289	1.9
294.08768	1.6
295.09579	1.0
296.06726	1.7
297.07568	43.9
298.08313	24.0
299.09042	2.0
301.07047	26.4
302.07297	1.0
308.06885	2.7
309.07565	25.1
311.09116	9.7
312.06305	3.5
321.07513	4.7
322.08310	3.4
323.09131	6.8
325.06949	2.1
327.08618	100.0
328.09058	3.6
335.08939	1.9
337.07071	1.3
337.10657	9.3
339.08624	8.0
341.10312	1.1
347.09549	0.9
349.10913	1.4
351.08636	21.7
357.09662	4.4
363.08633	3.2
365.10205	5.1
369.09662	2.5
375.08377	1.3
381.09628	6.8
393.09613	8.1
405.09637	2.1
411.10782	15.6
417.09662	1.2
423.10840	1.8
429.11795	15.8
441.11682	2.4
447.12872	67.9
448.13123	2.9
453.11810	1.5
463.12265	2.9
471.12903	5.1
489.13736	5.5
495.12555	1.3
537.13391	1.2
555.14856	1.6
573.15887	1.5
609.18005	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	609.1808
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylgenkwanin
Peak:m/z	Relative Intensity
51.66295	2.1
56.63427	2.0
57.03421	2.0
58.44162	1.8
60.90269	1.9
61.61044	2.2
62.46360	1.7
64.73775	1.9
71.17000	3.3
85.02914	5.7
103.03946	3.0
109.02885	2.9
121.02830	2.7
133.06502	15.6
135.04419	30.4
159.04379	4.1
163.04042	2.3
177.01880	2.8
179.03407	2.8
189.01840	6.9
190.02579	2.0
191.03435	3.8
195.02876	3.8
201.01831	2.2
203.03391	9.1
207.02878	8.4
217.04956	5.1
219.02852	5.7
224.29126	2.0
227.03279	3.4
229.04942	4.2
255.02930	4.0
257.04529	2.4
281.07855	3.6
282.08911	5.1
285.03995	2.4
293.07968	4.4
294.08875	2.0
295.09677	3.9
297.07681	7.5
298.08328	2.1
307.09662	5.0
308.06842	21.8
309.07562	82.0
310.08301	6.4
311.09116	8.8
318.08646	2.4
319.09644	2.5
321.07587	48.0
322.08423	11.0
323.09119	12.4
327.08588	6.0
333.07529	5.2
334.08301	4.5
335.09128	26.2
336.09967	11.9
337.07031	3.8
337.10739	4.6
339.08640	100.0
340.08917	5.0
347.09113	4.0
349.10727	16.8
350.08069	3.1
351.04361	3.1
351.08649	65.3
351.12802	4.5
352.08755	2.6
361.10944	13.3
363.08569	36.1
363.12607	3.5
364.09195	2.5
365.10107	23.5
367.08371	2.6
369.09714	27.2
375.08664	16.1
377.09998	7.1
379.11758	15.1
381.09769	2.9
387.08524	6.1
389.10220	11.9
393.09674	62.6
393.14798	3.2
394.09811	2.6
399.08847	3.0
403.11932	4.3
405.09692	34.9
407.10965	5.0
411.10526	2.4
415.11752	5.1
417.09601	22.7
423.10742	45.5
424.10828	2.7
429.09967	3.1
431.11179	4.7
435.10779	26.5
441.11786	43.2
447.10648	3.0
453.11807	35.0
459.11237	8.5
471.12885	91.7
472.13217	4.5
477.11679	6.3
489.13959	17.3
495.12952	29.4
501.12125	3.9
507.12976	4.7
513.13934	18.3
519.12659	7.4
525.13916	22.6
537.13995	24.2
543.14838	11.2
555.14917	24.4
573.16064	23.1
591.17017	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	609.181
Annotation	Diosmin 
Peak:m/z	Relative Intensity
57.03424	0.2
58.18827	0.1
59.81670	0.2
63.81510	0.1
69.88792	0.6
71.04993	0.6
71.88332	0.2
85.02897	1.1
89.49228	0.1
95.20735	0.1
100.84802	0.1
129.05428	0.2
147.06566	0.1
149.05983	0.2
153.01880	0.6
192.52257	0.2
218.31433	0.2
258.05249	10.2
276.23618	0.2
286.04724	28.3
287.05170	0.6
297.07520	0.2
301.07068	100.0
302.07437	2.3
309.07547	0.2
327.08627	0.3
423.10822	0.2
447.12814	0.5
463.12518	0.8
609.18091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.3
55.01876	8.7
55.05519	22.7
57.03436	5.8
57.07075	8.9
61.49855	3.7
65.70258	3.1
67.05506	33.6
69.03427	14.8
69.07074	61.4
70.06593	16.1
70.18812	14.3
71.04998	10.4
71.08636	3.7
72.08131	4.3
73.02933	3.7
74.06113	4.0
79.05502	22.1
81.03416	20.7
81.07064	90.4
83.04999	7.1
83.08618	26.3
84.08155	6.7
85.02914	22.0
85.06525	5.7
86.09735	3.7
87.00853	7.2
91.05504	21.4
93.07052	44.7
95.04981	9.8
95.08617	58.5
97.02882	12.2
97.06529	8.1
97.10155	9.3
99.04430	6.8
103.05478	4.5
105.01888	9.0
105.03395	6.1
105.07027	27.4
107.04972	6.1
107.08598	50.9
109.02888	16.3
109.06517	13.3
109.10159	39.7
111.08096	9.7
111.11747	7.3
117.07061	4.1
119.08588	23.1
119.12201	3.4
121.02890	4.7
121.06534	7.9
121.10155	40.3
123.08081	10.9
123.11723	70.8
125.09653	3.7
127.03925	14.6
129.06992	4.2
131.04927	4.7
131.08568	8.0
133.10146	22.6
134.36223	3.3
135.04433	8.9
135.11719	16.3
136.06145	6.8
137.05949	5.4
137.09607	6.0
137.13245	4.8
139.11201	11.7
140.10750	8.9
143.08621	3.3
145.04994	6.7
145.10118	8.0
147.04407	10.5
147.11742	17.0
149.13275	22.3
151.03880	4.7
151.11203	15.4
152.23125	3.8
155.08539	4.0
159.08046	5.2
159.11703	14.0
161.13252	7.8
162.05490	5.1
162.09111	4.5
163.07512	3.7
163.11259	5.0
165.12785	10.3
167.03349	3.4
167.07072	8.6
167.14307	21.7
169.12247	15.3
173.13298	7.8
175.03947	35.7
175.14735	5.3
177.05499	14.6
177.16417	4.0
181.04971	5.1
191.07071	6.2
201.16411	3.9
207.06557	6.1
230.15282	3.9
241.13588	3.7
249.22163	5.9
271.06110	7.5
271.24307	10.0
278.30304	3.8
283.13339	20.7
285.07404	6.0
289.25290	100.0
292.19070	13.2
301.07162	11.4
307.26324	44.1
309.07565	12.3
311.12784	10.9
321.07663	9.7
327.08682	9.7
329.13687	4.5
335.09326	6.1
339.08655	18.0
349.10776	5.6
351.08606	12.4
363.08832	4.5
375.08459	4.9
381.09491	5.3
393.09833	7.1
405.09930	5.4
407.33749	3.6
410.09326	4.4
417.10010	4.5
421.74063	3.7
423.10745	9.4
435.10651	4.6
441.11520	5.2
447.12701	5.3
453.11459	4.9
471.12640	13.6
495.12677	5.5
513.13953	4.4
525.13684	7.5
536.38922	7.5
554.40295	10.6
572.41815	5.2
577.21301	3.8
601.62061	3.7
608.38489	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.1
53.77714	5.9
55.05512	21.0
57.07067	6.8
59.04998	8.0
59.30336	4.6
67.05508	36.3
69.03425	22.6
69.07073	29.3
71.52917	6.2
79.05496	27.1
81.07069	55.5
83.04967	11.0
83.08612	11.4
91.05490	75.4
93.07053	74.3
95.04960	16.7
95.08601	67.3
97.06488	9.0
105.07039	80.3
107.04920	4.4
107.08603	74.1
109.06529	11.0
109.10173	49.1
110.40169	4.6
115.05422	6.5
117.07008	17.5
119.07822	7.6
119.08594	92.5
121.06531	10.9
121.10149	98.0
123.08070	14.9
123.11731	31.3
125.09627	5.0
128.06238	5.3
129.06981	15.4
131.08588	41.6
133.10167	60.2
135.08049	21.4
135.11710	47.7
137.09544	5.6
137.13287	10.5
139.07513	8.0
141.07014	7.2
142.07796	14.2
143.08577	36.9
145.10114	50.5
147.08061	6.2
147.11720	44.7
149.09619	9.5
149.13258	27.1
155.08543	16.1
156.09308	10.8
157.10143	34.1
159.08142	5.0
159.11688	49.5
161.09618	18.7
161.13248	35.0
163.11159	10.6
163.14856	9.6
169.10143	14.9
170.10942	6.4
171.08041	6.6
171.11731	30.6
173.09689	15.0
173.13283	35.7
175.04018	5.3
175.11205	15.2
175.14859	23.0
177.12714	13.1
179.14310	10.9
181.10139	9.9
183.11685	16.0
185.13257	30.5
187.14799	36.1
189.16368	24.8
191.14397	8.6
191.17926	4.9
195.11617	13.7
197.13290	27.5
199.14830	29.9
200.15674	15.5
201.12827	14.1
201.16402	42.6
203.14380	8.8
203.17978	13.7
205.15990	10.3
207.11743	7.0
209.13292	12.5
211.14876	13.1
213.16438	14.7
215.14346	6.0
215.17937	37.9
217.15895	8.9
219.13904	5.8
221.13225	7.6
223.14877	14.5
225.16295	12.9
227.14342	20.6
227.17926	9.8
229.16013	6.1
229.19455	7.0
235.14786	6.6
237.16429	7.7
239.14401	7.1
239.17830	11.7
241.15852	6.8
241.19666	6.9
243.21164	6.1
245.15424	8.1
263.17987	6.8
267.17645	10.1
267.20950	7.1
293.18854	9.2
293.22534	8.0
295.24258	21.9
303.21115	5.4
305.22577	6.5
311.23590	8.5
313.25229	11.5
319.24069	5.9
321.25806	13.7
333.25943	6.6
335.27365	9.3
345.25763	7.6
351.26740	5.4
353.28275	7.7
363.26852	100.0
381.27948	96.3
395.29361	17.6
435.32681	33.8
449.30606	14.8
453.33688	40.4
471.34741	14.4
499.32007	43.9
517.33362	37.7
549.36078	6.9
558.26746	5.5
571.37463	10.8
589.38849	22.9
607.25000	13.1
607.40002	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.4
55.05513	26.4
57.03412	7.8
59.04985	6.7
67.05219	4.0
67.05505	40.8
69.03415	14.0
69.05898	4.1
69.07066	30.8
71.04982	5.0
71.53900	7.5
79.05489	38.1
81.03409	13.9
81.07056	55.2
83.04967	11.5
83.08617	13.7
85.02914	5.9
85.06552	6.7
91.05476	64.5
91.30891	4.2
93.07047	59.6
95.04981	7.8
95.08600	65.9
97.06519	12.7
97.10152	5.1
105.07037	61.4
107.08592	68.1
109.06503	13.9
109.10152	42.0
117.07008	16.7
119.08578	68.7
121.06486	5.8
121.10131	87.1
123.08054	11.3
123.11697	19.7
125.09626	5.7
128.06224	4.6
129.06999	14.0
131.08577	34.4
133.10141	51.1
134.35196	4.5
135.08038	9.1
135.11700	35.2
137.09610	9.1
137.13234	8.8
142.07802	6.5
143.08607	25.3
144.09352	4.9
145.10089	49.1
147.08054	7.9
147.11716	30.5
149.09671	6.5
149.13240	19.2
151.07430	4.4
151.11151	5.8
154.07874	4.5
155.08528	12.9
157.10129	35.1
159.11702	49.5
161.09625	15.1
161.13245	21.8
163.11188	10.7
163.14798	9.7
169.10164	22.5
171.11667	25.2
173.09619	16.2
173.13292	35.5
175.11157	16.4
175.14795	21.3
177.12723	10.7
177.16382	7.6
179.14342	5.3
181.10228	5.0
183.11678	20.6
185.13266	28.6
187.14836	21.0
189.16394	16.1
193.10213	6.3
193.12189	4.7
194.11113	5.7
195.11755	8.0
196.11211	8.1
197.13268	18.9
199.14792	28.1
200.15556	15.3
201.12688	8.5
201.16422	30.9
203.14333	4.5
203.17929	8.0
205.15883	7.8
207.13741	5.5
209.13286	11.9
211.14804	8.0
213.16324	11.9
215.14246	9.7
215.17972	27.2
217.15816	8.4
223.14783	10.9
225.16412	13.7
227.14299	15.9
227.18002	10.7
229.15977	10.5
229.19574	10.2
231.17491	6.6
237.16437	7.5
239.17947	7.8
241.15837	8.0
241.19479	5.5
243.17657	5.8
243.21014	7.4
245.15381	10.3
251.17879	4.5
253.15915	7.6
253.19560	8.5
255.17519	6.5
255.20944	6.4
263.18063	8.9
265.19342	5.3
293.22620	12.0
295.24210	24.1
311.23703	6.7
313.25345	13.2
319.24051	7.1
321.25937	13.3
337.25250	5.9
339.26941	6.5
345.25714	6.7
363.26794	100.0
381.27866	83.1
395.29492	12.8
435.32501	22.6
449.30399	16.5
453.33456	30.6
467.64774	4.9
471.34787	12.5
474.20563	5.5
499.31982	37.9
517.33484	40.3
547.23407	6.5
549.35657	7.0
589.38361	19.0
607.25397	18.3
607.40997	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	607.2904
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
55.06475	0.2
59.83971	0.2
69.21666	0.5
69.22115	2.1
69.22472	0.2
74.84540	0.2
78.79316	0.3
97.22353	0.2
118.10215	0.2
173.30380	0.3
208.09491	0.3
326.57172	0.3
387.15762	0.3
389.17590	0.7
390.18771	0.3
401.17664	0.6
402.18274	0.5
403.19293	2.0
404.19775	0.6
405.20831	1.1
415.19464	0.5
416.20248	0.5
417.16336	0.6
417.21487	2.2
418.21921	1.1
419.22379	1.9
430.17697	0.7
431.18146	3.9
431.23621	0.5
432.18991	0.7
432.23947	0.4
433.24127	2.0
444.18823	0.4
445.19879	4.9
446.20648	1.9
447.21884	0.8
459.21579	1.5
460.22403	1.2
461.23401	0.8
473.23880	0.4
532.87897	0.3
547.26807	2.0
575.26324	0.4
607.29126	100.0
608.29486	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	607.2907
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
50.68725	0.8
55.49139	0.7
68.40504	0.8
69.24075	0.9
70.03517	1.4
70.03918	4.3
76.54368	0.9
77.43542	0.8
89.22139	0.8
98.20833	1.1
101.22344	0.7
194.26457	0.8
207.09233	1.3
209.10809	1.2
221.10890	1.0
376.18130	1.2
387.16138	1.7
388.16919	2.0
389.17532	5.0
393.79596	1.0
401.17569	2.4
402.18533	4.6
403.19290	11.6
404.20041	3.4
405.20538	5.9
415.19409	2.8
416.20605	4.4
417.16754	3.2
417.21259	15.6
418.21738	8.0
419.22357	12.8
429.21396	1.9
430.17908	4.2
430.22556	1.8
431.18188	25.7
432.18680	6.8
433.24142	31.8
434.24503	2.8
444.18649	1.5
444.23856	1.8
445.19781	32.0
446.20813	17.5
447.21542	11.8
458.21048	1.1
459.21466	15.1
460.22525	41.0
461.23349	45.3
462.24103	1.7
472.50912	1.0
473.23569	10.0
474.24054	3.7
476.21893	1.2
477.22791	2.2
487.25101	5.1
488.25616	1.7
489.23364	1.2
491.24402	2.6
492.25397	1.2
505.21570	6.3
506.26950	1.7
515.24365	2.3
518.23199	1.3
519.24518	3.2
519.27313	4.0
532.24713	3.9
533.25928	1.4
547.27039	100.0
548.27405	6.5
575.26447	2.6
577.24200	1.1
579.29950	1.2
607.29108	60.7
608.29236	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2549
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
51.02010	0.4
70.87861	0.8
72.98483	0.3
79.05438	0.4
81.07021	0.5
135.96585	0.4
163.15155	0.4
192.01384	0.4
209.10738	0.5
230.03029	0.4
312.14847	0.5
335.99420	0.4
374.15472	0.8
375.15921	1.0
376.16669	0.4
387.16382	0.9
388.16962	1.5
389.17630	4.0
390.18268	1.4
391.19199	1.1
401.17786	1.2
402.14020	0.7
402.18512	1.6
403.19418	7.1
404.20224	2.7
405.20950	3.2
413.17743	0.5
415.19510	0.9
416.16251	1.4
417.17014	4.5
417.21005	3.3
418.17337	1.1
418.21518	1.8
419.22513	8.4
420.22974	0.8
429.16449	0.4
429.21387	0.5
430.17920	1.6
431.18231	9.5
432.19263	3.6
433.20099	3.9
443.18646	0.8
444.19351	0.7
445.20242	8.0
446.20975	7.8
447.21771	13.3
457.20584	0.6
459.17905	2.5
459.22430	1.7
460.18814	1.5
461.19427	1.8
462.24408	0.6
463.25787	0.8
473.19763	1.6
474.20438	12.3
475.21313	15.3
476.21793	0.8
477.22873	0.9
487.21387	3.0
488.22168	1.0
490.23526	1.4
491.20486	1.3
491.25916	0.6
501.22913	2.0
503.24567	0.5
504.21729	0.8
505.22278	1.2
506.23181	0.5
518.22906	0.5
519.24109	15.2
529.22369	0.9
532.20935	0.9
547.23401	74.7
548.23785	3.9
561.24847	1.4
579.25964	4.9
589.24365	1.5
607.25488	100.0
608.25769	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	607.2552
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
51.20297	0.3
55.05505	0.8
67.05497	1.1
69.07063	0.5
70.87311	0.7
73.67842	0.3
79.05500	0.9
79.45748	0.3
81.03407	0.6
81.07046	0.9
83.04971	0.4
91.05463	0.8
93.07037	0.8
95.08589	0.9
97.06478	0.3
105.07016	0.5
107.08613	0.6
109.10142	0.8
119.08596	0.4
133.10167	0.4
134.06044	0.6
135.04204	0.3
145.10124	0.4
161.64224	0.3
176.74591	0.3
183.83968	0.3
189.11325	0.4
209.10811	0.4
221.10555	0.3
373.14722	0.5
374.15488	0.4
375.15918	0.4
385.01419	0.3
386.16208	0.3
387.16232	0.9
388.16846	1.4
389.17752	2.6
390.18277	0.8
391.19293	0.7
401.17935	0.6
402.14133	0.5
402.18820	0.7
403.15695	0.5
403.19492	4.5
404.20233	1.8
405.20779	2.8
415.19626	0.6
416.16196	0.9
417.16235	4.5
417.21188	2.1
418.17093	1.6
418.22388	0.7
419.17786	0.4
419.22504	5.9
420.22925	1.2
429.16589	0.4
430.17935	1.1
431.18381	7.9
432.18988	3.5
433.20047	3.9
434.20648	0.3
443.18536	0.4
445.20206	5.4
446.21033	8.1
447.21793	8.9
448.22827	0.4
458.21167	0.3
459.17258	0.9
459.21939	1.6
460.18787	0.9
461.19681	1.9
462.24670	0.5
463.21170	0.5
473.24146	0.8
474.20486	4.8
475.21057	4.9
476.21603	0.5
477.23459	0.6
478.23575	1.1
487.21616	1.5
488.22217	0.4
490.23627	0.6
491.20251	3.4
501.22742	1.6
505.22162	0.7
506.23325	0.8
519.24103	16.3
520.24731	0.7
529.22162	0.6
532.21185	0.4
547.23413	12.9
548.23578	0.7
550.22211	0.4
551.27106	0.4
575.23352	0.3
579.26001	5.9
589.24933	0.4
607.25519	100.0
608.25812	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	607.2547
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
69.47704	2.5
74.80982	0.3
82.95936	0.3
84.80702	0.3
97.98305	0.3
109.85461	0.3
121.52754	0.3
222.11597	0.3
375.16089	0.7
380.18106	0.3
387.16196	0.9
388.16983	0.9
389.17532	2.4
390.18381	1.3
391.19339	1.1
401.13394	0.4
401.18069	0.5
402.18564	1.0
403.14835	0.8
403.19562	4.0
404.20227	2.0
405.20776	3.1
416.15930	0.5
416.20572	0.6
417.17123	3.6
417.21170	2.0
418.17480	1.1
418.21875	1.2
419.17899	0.4
419.22485	5.8
420.22812	1.0
422.55908	0.4
429.16721	0.5
430.17694	0.9
431.18329	6.8
432.19217	3.2
433.20139	4.1
444.19397	0.4
445.20132	5.4
446.21008	7.7
447.21786	8.7
448.22595	1.0
459.17004	0.8
459.21881	1.9
460.18237	0.8
461.19415	2.0
462.24130	0.5
463.25644	0.7
473.18942	0.5
473.24426	0.8
474.20303	5.5
475.20947	4.5
476.22223	0.4
477.22766	0.9
478.23581	0.8
487.21237	1.3
488.22034	0.5
490.24026	0.6
491.20331	3.0
501.22955	1.1
502.64285	0.4
504.21732	0.4
505.22232	1.1
506.22992	0.5
519.24036	16.7
520.24420	0.8
547.23376	13.0
548.23541	1.3
551.26575	0.6
561.25159	0.6
579.25842	5.5
580.25903	0.5
607.25500	100.0
608.26031	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	606.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.05481	0.5
56.05024	0.8
57.19575	0.5
58.06603	4.3
60.04527	0.8
61.01134	0.8
65.03940	0.7
67.05505	0.8
69.03417	1.8
69.07041	0.5
69.67152	0.5
70.06595	5.9
70.18992	0.5
70.98518	1.3
72.04504	1.4
72.08156	1.2
78.03771	0.7
79.05476	0.7
81.03404	1.6
81.07027	0.7
83.05002	0.6
84.08146	1.2
85.02894	1.9
85.06534	0.6
86.06071	0.8
86.09669	0.7
88.02187	0.9
90.75227	0.5
91.05482	19.8
93.07018	0.9
95.04951	1.0
97.02878	1.1
97.06528	0.6
99.04416	0.5
102.03746	2.0
103.05413	0.6
105.03381	1.9
107.04951	1.2
109.02858	1.1
110.07170	0.6
113.05987	0.8
113.92117	0.5
114.03749	0.9
116.07109	2.8
119.04942	30.8
121.02872	0.7
124.07603	0.7
127.03925	0.9
128.46530	0.5
129.05449	0.5
130.26567	0.5
131.04897	0.6
131.06352	1.4
132.02051	0.6
132.04713	1.9
134.05988	0.5
135.04410	0.6
136.06189	1.5
136.07619	0.7
136.30931	0.5
137.05948	0.9
142.08624	1.6
145.04938	0.6
147.04410	28.4
148.04768	1.2
149.02359	0.7
149.07454	8.1
151.03859	1.5
157.03966	2.7
162.09146	0.6
164.04634	1.0
165.05492	1.3
167.07036	0.9
175.03914	54.8
176.04288	1.2
177.05463	0.8
178.05148	0.5
179.07036	3.3
207.06529	100.0
208.06900	1.4
247.09663	2.1
261.12677	5.1
265.10699	2.5
278.10226	6.6
315.16229	0.8
325.06985	0.9
337.06763	0.6
339.74478	0.5
345.12933	0.9
346.13306	2.0
355.08792	1.0
355.13211	25.4
356.13379	0.9
379.08359	0.8
381.09601	0.5
409.09283	1.0
426.20828	0.6
428.39661	0.6
439.10126	0.7
444.12619	0.7
445.10699	0.5
467.18405	7.4
476.15198	9.7
487.12521	1.1
588.20245	4.4
606.24792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07351	1.4
53.03938	5.2
55.01876	6.5
55.05496	1.6
60.04514	2.4
67.05494	3.7
68.99763	3.6
69.03423	4.9
69.07058	2.0
70.06593	39.6
70.66409	3.2
71.04983	1.6
72.08155	4.5
79.05482	5.3
81.03415	7.8
81.07047	6.0
82.36295	1.3
83.04984	3.3
84.08138	6.3
85.02417	1.8
85.02906	14.5
86.06055	3.0
86.09701	5.2
87.00831	3.4
87.05583	1.4
91.05485	4.4
93.03415	9.0
93.07052	3.4
95.04951	8.2
95.08616	3.1
97.02884	5.4
99.04444	1.7
103.05463	3.1
105.03389	100.0
105.07015	2.8
107.04941	17.4
107.08618	2.6
109.02873	9.8
109.06520	2.6
109.10094	1.3
111.04456	7.3
112.07571	1.4
116.07091	46.4
119.04919	4.0
119.08542	3.5
120.08066	1.8
121.02866	5.9
121.06501	7.5
121.10141	1.7
123.00777	2.1
123.04408	2.7
123.08075	1.4
124.11165	1.4
127.03909	4.3
128.07066	3.3
129.03412	1.5
131.04924	6.3
133.02782	2.2
133.10170	2.0
135.04413	15.0
136.07576	2.6
137.02333	11.5
139.03865	6.8
140.10701	1.9
141.01759	2.8
145.02849	4.0
145.10123	3.2
147.04361	10.0
149.02303	2.1
149.05943	5.9
151.03897	5.7
156.06546	3.2
159.04405	5.8
161.02339	3.7
163.03932	4.5
165.01828	20.2
169.01320	2.5
172.09561	1.5
175.03900	6.7
177.01819	5.9
177.05450	10.6
178.04994	8.4
179.03357	3.9
183.02895	12.5
187.03969	2.8
189.01833	6.8
189.05519	1.9
193.05040	2.0
195.02901	34.3
199.03899	1.9
201.01743	1.6
201.05531	2.8
203.03430	12.4
205.04936	5.2
206.04472	18.6
206.10257	1.7
207.02890	30.8
207.06294	2.8
217.04956	6.8
219.02951	2.9
221.04439	10.7
221.07948	2.3
223.02434	2.3
225.03900	22.7
227.03397	14.3
229.05025	1.7
231.02866	25.6
235.05882	2.0
239.09218	3.2
243.06517	29.0
245.04485	9.3
249.03951	10.8
255.02913	5.5
255.06552	16.6
263.05365	1.5
267.06497	8.0
273.03897	21.8
279.06451	2.2
281.07996	4.2
283.06006	2.2
285.07544	65.3
291.04770	7.2
295.09540	2.0
303.05176	1.6
305.08011	12.6
309.07559	69.6
323.09222	3.5
333.07559	14.8
351.08618	66.8
352.08759	1.6
358.12830	4.5
369.09689	3.8
375.54263	1.5
387.10849	1.9
408.52499	1.5
437.08429	5.9
455.09781	49.7
473.10782	73.9
490.76596	1.6
491.04889	2.9
491.11819	51.4
520.17072	3.1
552.35657	1.9
570.36505	2.1
588.16852	2.1
606.21191	3.4
606.37769	2.4
616.38977	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01871	1.0
55.05495	1.6
67.05511	4.1
69.03418	2.8
69.07059	2.3
69.26839	2.4
69.27258	4.4
70.06590	2.6
74.17152	0.7
79.05479	3.2
81.03415	4.8
81.07056	10.7
83.04989	0.8
83.08621	0.7
85.02914	1.7
91.05483	18.0
93.07045	6.0
95.04963	2.3
95.08602	4.5
97.02877	1.1
97.06499	0.9
98.20738	1.5
99.04456	1.4
103.05478	1.4
105.03396	1.9
105.07014	7.2
107.04989	0.8
107.08578	6.0
109.02891	2.7
109.06516	2.3
109.10152	5.5
111.08100	1.1
112.07607	0.9
117.06981	1.5
119.04950	25.4
119.08558	4.1
121.10161	4.5
123.08021	1.2
123.11752	0.9
125.09627	1.0
127.03915	1.3
131.08546	2.5
132.02043	1.4
133.06424	0.8
133.10115	3.0
135.11681	1.4
137.09586	0.9
143.08521	1.1
145.10107	4.4
146.24870	0.7
147.03239	1.2
147.04420	24.1
147.11700	1.9
149.02408	1.1
149.13223	0.7
151.11162	2.5
157.03995	2.3
157.10269	0.7
159.11696	3.3
160.07605	0.8
161.05983	1.2
161.09677	0.9
161.13222	2.2
163.11156	0.9
164.04680	0.9
167.07143	1.5
167.08533	0.7
173.13318	1.5
175.03922	43.9
176.04320	0.8
177.90364	0.7
179.07018	2.1
196.33972	0.7
201.16335	2.0
207.06538	100.0
208.06792	0.8
212.25464	0.7
212.35471	0.7
217.08667	0.7
219.06564	6.4
219.17441	2.0
221.08014	1.1
225.07532	1.1
236.11763	0.8
257.18805	0.8
351.10828	4.6
369.11865	8.3
407.22348	1.3
425.23267	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	604.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43633	1.4
51.44778	1.3
53.03942	2.9
55.01872	3.5
55.05511	6.9
57.03444	4.0
57.07067	1.2
59.04981	1.9
60.04517	2.0
61.02932	1.9
62.06086	1.7
65.30191	1.1
66.52412	1.6
67.05511	8.7
69.03429	15.4
69.07076	10.8
70.06592	10.7
71.04996	3.2
71.08627	5.5
71.52669	1.5
71.53035	2.0
72.08152	6.7
73.02912	2.9
79.05500	8.2
81.03436	15.3
81.07068	25.9
82.06547	1.3
82.07384	1.9
83.04995	4.1
83.08631	3.9
84.04496	2.6
84.08147	4.5
85.02905	20.2
85.06548	2.6
86.06075	44.9
86.09715	3.2
87.00856	3.7
87.03857	1.7
87.04476	2.5
91.05486	10.7
93.07047	9.9
95.04995	6.3
95.08609	10.4
96.08151	7.3
97.02887	13.0
97.06549	6.1
97.10190	1.6
98.06096	3.4
98.09707	13.7
98.21521	1.4
99.04457	6.6
99.08116	5.8
100.07620	2.2
105.01895	3.4
105.03412	2.6
105.07044	15.8
107.04943	1.9
107.08588	9.9
108.08139	4.6
109.02885	8.4
109.06536	3.7
109.10168	7.4
110.09692	1.7
111.04436	1.6
111.08060	1.4
113.06099	1.4
113.76934	1.2
114.09167	1.7
115.05476	1.4
116.10741	86.3
117.01885	1.9
117.07040	3.3
119.08601	14.0
120.08073	1.9
121.02877	6.3
121.06519	2.2
121.10117	7.5
122.09666	2.5
123.08069	3.3
123.11715	6.2
124.07594	3.7
125.06028	1.6
125.09641	1.6
126.09167	1.7
127.03920	11.8
129.07048	3.2
131.08589	5.4
133.10146	8.5
135.08040	1.7
135.11702	3.6
136.07582	1.7
137.05988	1.8
137.09636	1.5
138.09145	1.4
140.10692	1.4
141.07082	1.3
142.07756	1.4
142.08665	9.0
142.12260	1.8
143.08546	1.9
143.10667	8.9
145.04973	4.6
145.10150	11.1
147.04419	2.2
147.07956	1.4
147.11665	17.5
149.09599	2.3
149.13242	2.7
151.11195	2.2
154.08752	2.0
157.10133	6.1
159.02931	2.5
159.11714	5.8
161.05972	2.5
161.09665	1.6
161.13229	4.2
163.14885	1.9
165.01892	4.1
165.12791	5.5
173.05972	2.4
173.13271	1.8
175.11198	5.1
175.14751	1.4
178.05086	1.6
181.04994	1.5
183.02902	5.0
193.12262	4.3
201.05472	1.8
201.16518	3.2
207.06483	2.3
212.16470	14.1
214.18031	19.0
219.17532	2.5
229.04991	2.1
230.05289	2.6
230.17537	5.7
231.05077	1.8
231.15866	1.5
234.22298	1.4
255.16048	3.0
261.13284	1.9
299.05496	26.0
300.05829	31.1
301.06458	3.9
306.07965	3.9
308.22357	7.3
326.23254	33.8
338.13791	1.7
344.24329	100.0
345.06323	2.0
345.20728	1.9
345.24741	2.7
355.11752	20.0
356.11993	37.9
357.13034	4.9
374.21878	4.5
392.22690	2.1
424.30606	8.8
442.31699	27.7
449.86832	1.6
488.28772	2.3
501.19995	1.5
506.29651	18.6
568.36450	2.0
586.35950	4.5
604.37634	10.0
605.24420	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	603.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.5
55.05515	40.1
57.03434	10.5
57.07084	48.6
64.32965	4.5
67.05502	51.7
69.07087	26.8
69.53172	5.4
69.53487	38.4
71.04984	5.1
71.08633	29.5
71.08960	5.5
79.05499	32.7
81.07062	52.2
83.04988	5.6
83.08614	16.4
85.10200	7.4
91.05482	88.8
93.07043	38.0
95.04947	8.9
95.08607	51.5
97.10156	14.5
98.20854	10.0
103.05444	6.5
105.07031	68.7
107.04939	6.4
107.08591	15.4
109.06497	8.0
109.10159	15.5
115.05418	10.6
117.07018	44.5
119.08578	27.5
121.06546	5.3
121.10150	13.7
123.11691	5.0
125.09588	7.8
128.06226	33.4
128.93742	5.8
129.07037	34.3
130.07816	16.0
131.08565	88.9
133.06485	9.7
133.10126	19.9
135.07991	5.9
141.06982	14.3
142.07814	7.4
143.08553	100.0
145.07687	5.1
145.09039	10.2
145.10120	91.7
147.08093	10.9
147.11676	7.8
155.08548	6.1
157.10120	23.0
159.11671	17.0
161.09610	15.4
169.10139	15.1
171.11703	15.7
175.11082	7.9
181.10117	13.5
183.11723	11.2
185.13307	8.9
194.55423	4.8
195.11696	18.6
201.12688	6.4
213.12703	6.5
227.17952	9.0
237.16418	21.3
255.17444	17.2
264.10788	5.7
273.18515	62.9
291.19510	6.5
313.27304	73.8
347.22189	27.4
432.36053	5.5
585.45386	28.0
603.46179	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	604.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.05504	1.3
57.03418	0.9
60.04503	1.0
61.02917	0.6
63.41905	0.5
65.03928	0.5
67.05493	3.0
68.05795	0.5
69.03421	2.2
69.07069	12.7
69.93108	1.2
69.93511	1.9
70.06583	2.4
70.07391	0.6
71.04980	1.1
71.08625	0.7
72.08142	1.3
73.02902	0.6
79.05489	5.7
81.03421	3.4
81.07058	14.4
81.07813	0.5
82.00339	0.6
83.04975	1.5
83.08634	1.3
84.08142	1.0
85.02898	3.4
85.06535	0.7
86.06065	5.3
86.09708	1.1
87.00817	0.8
91.05491	3.3
93.07050	2.8
95.04952	1.8
95.08598	3.4
96.08128	1.3
97.02874	1.6
97.06507	1.0
98.06023	0.6
98.09680	1.6
99.04447	1.7
103.03889	0.5
105.03359	0.6
105.07020	2.4
107.04966	0.9
107.08595	2.4
108.08163	0.8
109.02869	1.7
109.06522	1.4
109.10162	1.9
111.08062	0.7
116.10728	10.9
119.08595	1.9
121.10127	2.0
122.09662	0.6
123.08022	0.7
123.11726	1.2
127.03917	3.1
129.07010	0.7
131.08575	1.3
133.06558	0.7
133.10106	1.6
135.08070	0.8
135.11702	1.2
136.03903	1.0
137.06006	0.8
139.14943	0.6
142.08672	1.0
143.10675	0.9
143.93298	0.6
145.10091	1.3
147.04483	0.8
147.11658	2.2
149.13254	0.7
151.11186	0.6
154.08621	0.9
157.10191	1.1
159.11610	0.7
163.11365	0.7
175.11151	0.9
187.14838	0.7
193.12271	0.9
201.16714	0.5
207.06627	0.9
212.07063	2.9
214.08687	0.6
214.18028	11.3
215.05815	1.6
222.05577	1.7
224.06978	0.7
227.05804	4.5
228.06544	1.3
240.06575	4.4
241.07207	1.3
242.08176	2.6
243.05316	1.6
246.57625	0.7
252.06595	2.6
255.05179	1.3
256.06058	1.7
256.09665	0.7
257.06738	1.2
258.07629	34.6
259.07809	1.0
264.10309	1.4
265.07364	1.5
267.05304	3.1
268.06104	1.7
269.06586	1.1
270.07608	42.5
271.08139	1.9
272.09253	1.4
277.07330	0.8
280.06058	1.4
281.06839	1.9
281.09778	0.7
282.07626	14.1
283.07886	1.3
284.09229	6.5
285.09888	1.5
291.08780	0.9
292.09662	6.6
293.06876	1.9
294.07608	6.0
295.08432	2.0
296.09286	4.7
308.09177	41.0
308.22141	0.7
309.09631	1.2
310.10785	1.6
310.23471	0.7
320.26654	0.8
322.10672	1.7
323.11523	11.1
326.23276	2.4
328.24820	8.7
330.85141	0.7
332.01865	0.5
338.13870	100.0
339.14261	4.3
344.24286	6.4
356.14948	27.0
357.15286	1.6
424.30606	1.1
427.76849	0.6
442.31625	2.4
461.96899	0.7
490.30023	1.7
506.29712	1.5
525.74329	0.6
526.25311	0.6
568.38239	0.7
604.19800	1.5
604.35797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	15.8
57.07082	12.8
59.04987	6.9
60.29044	6.0
67.05501	23.7
69.03427	14.7
69.07082	27.6
70.06599	38.4
71.05009	9.5
71.08649	7.9
71.53436	8.0
74.73370	5.3
79.05504	21.0
81.03419	15.6
81.07052	41.4
83.04976	16.3
83.08616	15.0
84.08148	10.7
85.02911	11.4
86.06097	13.1
88.07632	19.3
91.05489	25.3
93.07026	32.3
95.04968	15.3
95.08606	34.6
97.06535	11.4
99.04449	7.9
102.09171	14.1
105.03384	9.7
105.07036	41.7
107.08604	29.7
109.06505	8.4
109.10130	19.5
111.08048	6.8
116.10690	7.0
117.07056	11.9
119.08608	36.6
121.02851	7.6
121.06488	13.6
121.10134	28.0
123.08071	8.3
123.11699	8.9
127.03945	6.6
129.07031	13.6
131.08598	31.6
133.10110	33.1
135.08046	6.8
135.11710	15.8
139.07608	6.0
143.08577	24.6
144.08072	7.9
145.10147	34.2
147.04486	6.9
147.11703	26.1
149.02391	34.4
150.02652	12.7
155.08522	12.6
156.09309	8.1
157.10127	41.1
159.08031	10.2
159.11713	30.7
161.09615	6.7
161.13243	15.0
168.09288	7.2
169.10112	11.0
171.11667	31.5
173.09740	5.8
173.13313	22.5
177.12715	5.9
181.10182	9.2
183.11708	19.6
185.13319	25.1
186.05363	6.1
187.14748	9.1
193.04875	34.6
193.10040	7.9
194.05339	21.0
195.11636	9.2
197.13266	21.9
199.14873	8.3
200.20131	47.8
201.12683	6.3
201.20451	17.1
203.03400	9.7
207.11751	8.2
209.13261	12.2
211.14842	11.5
212.16461	47.4
213.12677	7.3
213.16766	30.5
215.14340	5.8
217.12296	5.7
219.06496	7.4
221.13254	11.7
231.13795	12.1
233.04497	9.4
235.14873	6.4
236.16452	7.3
237.07625	10.0
237.16649	13.3
249.16402	7.5
254.17496	19.6
255.17834	14.3
258.07669	9.6
265.19540	9.8
269.12939	7.1
272.18570	34.2
272.21021	5.7
273.18964	34.8
286.07468	6.9
288.08636	8.2
325.21603	7.4
342.06955	11.9
347.23669	7.6
351.23297	6.9
354.10507	5.8
355.11121	9.7
365.24954	8.7
375.23071	12.0
385.09143	7.8
386.09406	10.3
393.24213	8.7
405.27829	8.8
407.25900	6.1
419.29221	9.0
423.28903	7.9
429.11807	10.6
430.12192	24.6
437.30188	10.3
441.30496	39.9
447.29077	15.4
458.25760	6.0
465.30118	28.8
474.04233	6.6
483.31113	41.1
541.61670	6.1
603.29266	100.0
604.29944	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	602.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01870	1.1
55.05512	8.3
57.03434	1.0
57.07081	0.9
57.40293	0.4
58.06600	57.5
60.04518	1.8
67.05502	3.5
69.03425	1.4
69.07065	3.7
69.53037	4.0
71.04997	1.1
72.08160	2.0
79.05504	4.4
81.07054	6.6
83.04983	42.8
83.08609	1.2
84.08154	0.7
85.02914	1.0
85.06545	0.8
90.17844	0.5
91.05480	5.9
93.07047	8.5
95.04967	1.5
95.08605	8.4
95.09173	0.6
97.06527	1.8
97.10165	1.0
100.07623	9.8
105.07029	10.0
105.07684	0.7
107.04959	0.9
107.08591	10.4
109.06528	2.5
109.10150	2.3
111.08105	1.9
114.09181	1.2
115.05373	0.6
117.07028	2.5
119.08584	12.2
121.06542	1.2
121.10160	6.0
123.08068	6.1
123.11716	0.9
128.06288	0.6
129.07004	2.4
130.07767	0.6
131.08575	7.9
133.10123	9.1
135.08049	2.8
135.11719	2.3
137.09631	0.7
138.09160	1.3
139.07550	0.8
141.07013	1.2
142.07777	2.0
143.08559	6.0
145.10133	10.7
147.08122	1.5
147.11682	7.7
149.06010	0.6
149.09651	2.4
149.13293	1.2
151.11227	1.1
155.08534	2.7
156.09346	1.6
157.10139	8.5
158.10974	0.7
159.08066	1.1
159.11687	6.1
161.09567	2.5
161.13271	2.7
163.07495	0.6
163.11179	3.4
165.07062	0.6
165.09117	1.0
167.08586	1.4
168.09401	1.1
169.10100	3.9
170.10977	1.5
171.08150	0.5
171.11674	7.2
173.09674	2.3
173.13264	5.9
175.11253	1.4
175.14922	0.8
177.09215	0.9
177.12752	1.3
179.08589	1.7
179.10741	0.9
180.09364	0.6
181.10147	3.2
182.10976	0.9
183.11678	5.9
184.12331	0.7
185.09682	0.7
185.13281	4.6
187.11255	1.0
187.14873	1.8
189.09146	0.7
189.12712	1.2
191.10637	1.2
193.10233	1.5
193.12219	0.6
194.10966	1.1
195.11681	4.4
196.12483	0.8
197.13290	4.5
199.11230	1.5
199.14905	2.1
201.12770	1.1
201.16431	1.5
203.14314	1.1
205.12285	0.9
206.10927	0.9
207.11699	1.7
207.13660	0.7
208.12482	1.4
209.13277	3.3
211.14807	2.9
213.12822	1.4
213.16370	1.1
215.14325	1.1
217.15828	0.8
219.11824	1.2
219.13789	1.1
221.13197	2.4
223.14784	4.9
225.12805	0.6
225.16437	1.7
227.14403	0.9
227.17982	1.0
229.15881	0.7
231.13846	1.3
233.13304	0.9
233.15385	0.8
235.14873	1.6
237.16397	2.2
238.17203	0.6
239.14345	1.1
239.18002	1.7
241.16019	0.6
241.19527	0.8
247.14784	1.0
249.16547	1.3
251.14362	0.7
251.18005	0.8
255.13823	0.8
255.21164	0.6
257.15482	0.8
259.14749	0.5
261.16602	0.7
263.18042	0.8
265.15952	1.0
265.19632	1.5
267.17450	0.8
269.15445	0.7
275.18076	0.8
279.17752	0.6
279.21097	0.8
281.19196	0.7
283.16937	1.0
289.19550	0.8
307.20474	0.9
325.21494	2.7
331.20612	0.7
337.21466	0.8
339.23239	1.1
349.21667	1.4
351.23209	0.7
367.22647	0.9
405.27951	0.7
411.25397	1.2
423.28891	1.4
441.29968	0.8
447.28937	2.1
465.29944	2.8
471.27255	3.3
525.31995	3.9
542.34869	1.1
602.36853	100.0
603.37140	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	602.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43655	0.8
55.01868	3.0
55.05507	4.8
56.05041	1.0
57.03433	1.3
59.05000	1.1
60.04532	1.6
61.02914	1.3
62.06086	2.4
65.03916	0.9
67.05504	7.7
68.01539	0.8
69.03427	6.3
69.07066	9.4
69.48293	0.9
69.50396	3.2
69.50826	3.3
70.06592	8.4
71.04999	2.4
72.08163	4.8
73.02906	2.3
79.05494	6.2
80.18506	0.8
81.03429	4.2
81.07054	13.8
82.06573	2.2
83.04971	4.3
83.08636	1.5
84.04487	1.3
84.08143	3.1
85.02911	12.3
85.06535	2.5
86.06065	18.5
86.09709	2.3
87.04459	1.1
91.05479	12.9
93.07032	6.7
94.06590	1.5
95.04970	5.4
95.08616	7.9
96.08133	9.6
97.02900	5.3
97.06526	5.4
98.06052	7.3
98.09711	2.7
99.04459	4.6
100.07610	1.1
103.05465	1.3
105.03402	1.9
105.07030	9.0
107.04961	2.4
107.08584	5.6
108.08160	4.7
108.08812	1.2
109.02886	5.1
109.06521	4.7
109.10190	3.2
110.09692	2.7
111.08070	1.0
112.07614	2.6
115.05460	1.0
116.07142	0.8
116.10737	11.6
117.07041	1.2
119.04988	4.1
119.08579	6.9
120.08121	2.1
121.02877	1.3
121.06508	1.1
121.10171	4.4
122.09696	2.2
123.08095	2.1
123.11743	2.8
124.07574	5.6
125.09645	1.2
126.09150	1.6
127.03954	5.1
128.07082	3.1
129.07010	2.6
131.08589	3.8
133.06496	1.5
133.10133	5.0
134.09616	1.4
135.04437	1.0
135.08057	1.2
135.11697	1.2
136.07568	1.7
136.11198	1.5
137.05997	1.0
137.09598	1.1
138.09100	4.5
139.06638	0.9
140.10675	1.4
141.09007	1.1
142.07617	1.9
142.08647	18.7
143.08643	1.6
145.02776	1.3
145.10135	2.3
146.05956	0.9
147.04419	3.8
147.11696	8.0
149.09612	2.2
151.03944	2.0
151.11197	5.3
152.10736	2.1
154.12267	3.0
157.10114	5.3
159.11694	1.7
161.06131	1.0
162.09126	1.3
163.11264	1.4
164.14406	2.2
165.01888	1.1
165.12714	1.7
166.08612	1.0
166.12260	0.9
167.07092	1.2
169.12263	4.8
173.09709	1.0
174.12859	3.0
175.03893	4.7
175.07545	0.9
175.11212	3.7
175.14876	1.2
176.07077	1.2
176.14384	0.9
177.05516	1.4
178.04973	2.0
181.05051	1.3
191.07057	1.1
191.10675	0.9
192.06589	3.9
192.13846	6.1
193.12361	1.8
193.22318	0.9
194.15379	4.9
202.03264	2.5
202.08733	0.9
205.04811	1.0
206.04605	2.5
207.06554	9.6
208.17058	2.8
210.18556	1.2
212.16461	100.0
213.16823	2.1
216.10303	3.5
229.14395	2.1
230.17625	0.9
234.07661	1.2
234.11290	4.2
236.16481	24.9
254.17520	58.1
255.18053	1.4
271.06009	1.5
272.18570	86.8
273.18896	1.3
283.86121	1.1
287.05582	2.1
326.23346	1.7
355.11801	1.1
374.21994	1.4
379.25018	1.0
404.28128	1.8
422.29068	11.2
434.23810	6.4
440.30103	47.3
441.30548	1.5
464.17551	1.0
541.29474	1.2
542.29572	2.1
584.33710	2.4
602.35455	42.6
603.36005	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	602.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04465	0.6
55.01861	1.3
55.05505	2.5
56.05025	1.3
57.03428	2.0
59.59897	0.8
60.04520	1.1
61.02917	1.5
62.06089	1.1
67.05516	5.5
69.03436	3.9
69.07078	6.8
69.38087	6.1
70.06576	3.5
71.04990	2.2
72.08145	1.4
73.02893	0.9
79.05484	5.0
81.03410	3.0
81.07059	10.1
82.06564	1.4
83.01323	1.1
83.04977	1.6
83.08636	1.1
84.04503	0.9
84.08153	1.6
85.02905	8.1
85.06520	1.9
86.06071	17.8
86.09719	1.4
91.05486	13.0
93.07051	4.4
94.06555	1.0
95.04971	2.6
95.08607	4.1
96.08137	9.6
97.02879	3.0
97.06544	4.5
98.06058	8.1
98.09691	2.6
98.20750	1.1
99.04458	3.7
105.03399	1.2
105.07040	6.3
107.04937	0.8
107.08594	3.6
108.08107	5.3
109.02879	1.9
109.06505	2.8
109.10130	2.7
110.09695	1.8
111.08090	0.9
112.07607	1.4
114.09208	1.1
116.10736	9.9
118.06543	0.9
119.04933	10.0
119.08578	3.4
120.08099	1.4
121.06474	0.9
121.10151	2.0
122.09698	1.4
123.08051	1.4
123.11716	1.9
124.07606	6.3
126.09140	1.6
127.03886	3.7
128.07039	0.8
129.07001	3.0
131.08588	1.8
132.08037	1.0
133.06444	0.8
133.10129	3.2
134.09648	0.9
136.07549	0.9
136.11244	1.6
138.09134	3.4
140.10788	1.0
141.09116	0.9
142.08636	17.3
144.08076	2.6
146.05956	1.9
147.04430	8.0
147.07939	0.8
147.11702	6.9
149.09662	1.4
151.03848	1.2
151.11154	3.4
152.10724	2.0
154.12273	2.8
157.10133	4.4
160.07602	1.8
162.09067	1.6
162.12764	1.5
164.14334	1.7
166.08714	1.1
167.07062	1.3
169.12300	2.9
173.08359	2.5
174.05498	4.6
174.09125	1.7
174.12790	3.1
175.03934	17.2
175.06285	2.5
175.11206	3.5
176.14336	1.0
178.05011	0.9
188.07045	2.8
189.07829	2.4
190.08638	20.9
192.13823	6.1
193.12283	1.6
194.15388	5.6
202.08813	1.0
207.06543	13.8
208.17065	2.9
210.18590	1.5
212.16461	100.0
213.16801	2.7
216.10269	4.3
218.11775	1.6
218.15437	1.1
229.08615	1.3
234.07617	2.8
234.08900	1.0
234.11238	20.0
236.16454	25.6
254.17528	57.2
255.18002	1.4
272.18576	92.5
273.18921	2.2
284.45288	0.8
326.23282	3.0
337.94818	1.0
344.24442	1.1
352.13916	11.1
361.23642	1.1
364.16080	1.4
374.21683	1.5
379.24847	1.9
380.17276	1.4
396.16586	24.1
397.16690	2.3
404.27893	2.2
422.29037	10.5
434.23740	5.0
440.30078	42.5
441.30463	1.9
570.18372	1.3
584.33960	2.8
602.22174	25.7
602.35101	45.4
603.22577	4.7
603.34991	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	602.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53164	0.5
55.05508	1.8
55.78537	0.5
57.03426	0.7
57.07078	6.2
58.06584	1.2
59.46628	0.6
61.15457	0.6
65.03922	1.4
67.05482	2.6
69.03427	3.1
69.07054	2.7
70.02779	2.4
70.06591	22.4
71.08624	4.0
79.05471	2.3
81.03391	2.3
81.07052	3.4
83.04965	1.1
84.08145	0.8
85.02908	3.5
86.06068	3.7
88.07626	23.1
91.05479	3.3
93.07027	1.5
95.04948	1.1
95.08595	2.3
96.08121	1.8
97.02837	1.0
97.06525	1.6
98.06036	1.9
98.09715	0.9
99.04420	1.2
102.09182	14.8
105.03317	1.0
105.06998	2.3
107.04953	0.8
107.08572	2.5
108.08168	0.7
109.02877	1.1
109.06527	0.9
109.10119	1.2
110.09647	0.7
116.10712	2.5
119.08636	1.6
121.02879	1.3
121.10117	0.9
123.11709	0.8
124.07584	1.0
127.03902	2.6
129.06964	0.9
131.04910	1.0
132.10153	0.7
133.10110	2.8
138.09067	0.8
142.08664	3.4
147.04391	1.0
147.11670	1.4
149.02336	39.6
151.11101	1.2
156.17444	1.6
157.10104	0.9
169.12181	1.0
175.03883	2.0
177.05428	0.8
179.03349	0.6
192.13785	1.2
193.04959	50.4
200.20090	59.0
201.20428	0.8
208.17015	0.9
210.18413	0.8
212.16455	20.4
217.05377	0.8
219.06570	1.7
236.16405	5.1
237.07582	14.4
244.22699	2.5
254.17526	12.9
272.18539	16.8
297.03937	1.7
313.06985	2.7
336.09344	1.0
341.06516	10.8
343.08234	0.9
353.10156	7.0
354.10471	16.3
355.72400	0.7
359.07562	6.6
385.04364	1.4
385.09134	21.9
385.14102	1.3
422.29099	1.5
429.11768	30.7
434.23340	0.9
440.29999	10.7
584.27979	2.0
602.29266	100.0
603.30286	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	601.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33993	3.1
53.03949	13.8
55.01855	3.5
55.05505	12.4
57.07080	6.8
64.50416	3.4
65.03945	4.5
67.05508	39.1
69.03435	6.4
69.07079	28.1
70.10653	3.3
71.53252	6.3
74.32014	3.8
79.05498	21.9
81.03423	25.7
81.07060	47.3
83.04981	19.3
83.08620	6.6
85.06557	4.1
89.06004	5.6
91.05484	33.4
93.07051	40.2
95.04970	100.0
95.08598	40.5
97.06583	7.1
103.05473	4.0
105.04591	4.2
105.07034	48.1
107.08604	44.3
109.06522	17.5
109.10165	31.8
113.36366	4.0
117.07007	12.1
119.08578	51.3
121.06493	8.8
121.10147	31.6
123.08085	9.2
123.11696	15.6
128.06197	3.8
129.07011	12.5
131.08589	35.3
132.33138	4.0
133.06526	4.5
133.10130	33.9
135.08063	11.1
135.11658	28.5
137.09636	6.7
137.13263	7.0
142.07785	9.1
143.08551	21.6
144.55150	3.7
145.10115	37.2
147.08058	8.0
147.11690	22.6
149.09570	4.9
149.13252	5.7
151.07492	4.3
151.11253	19.7
155.08568	13.2
156.09390	8.2
157.10081	25.4
159.07996	7.2
159.11682	26.2
161.09608	14.2
161.13269	13.5
165.09129	4.3
167.08534	7.7
168.09370	4.9
169.10185	16.6
170.10902	4.5
171.11717	15.5
173.09718	6.9
173.13200	17.9
175.14848	18.7
177.16345	8.3
179.08627	4.5
181.10126	10.9
183.11725	16.2
185.09598	4.6
185.13245	19.4
187.11212	5.6
187.14854	17.5
189.12738	4.7
189.16457	9.0
191.46759	4.3
193.10150	7.9
194.10866	5.1
195.11789	14.4
197.13330	14.7
199.11201	7.1
199.14848	13.0
201.12708	10.0
201.16405	13.2
203.14302	10.5
207.11707	7.2
209.13336	14.0
211.11198	6.2
211.14819	15.1
213.12769	13.3
213.16339	7.1
215.14377	4.4
221.15422	13.5
223.14796	5.3
225.16418	9.9
227.14352	14.3
227.17950	5.5
229.15891	9.8
235.14812	8.6
237.16403	5.0
241.15862	4.7
241.19482	5.2
249.16385	6.5
251.18015	6.9
253.15614	4.6
255.17508	3.6
258.20056	4.2
267.17368	4.7
269.18976	3.7
295.24188	5.0
297.18365	10.2
300.21088	6.8
313.21237	4.9
317.22769	4.6
337.21713	4.8
337.25397	6.6
415.29886	26.2
433.31018	87.7
434.05176	4.3
583.41193	12.7
601.42920	92.7
602.43158	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	601.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.05511	23.4
57.07061	9.3
59.04992	4.5
65.03926	5.5
67.05507	35.4
69.03406	12.2
69.07075	25.8
70.72570	8.7
79.05492	43.7
80.39836	3.2
81.03412	6.6
81.07053	43.0
83.04995	20.2
83.08621	18.0
83.34102	4.1
85.06509	3.1
87.04455	4.8
91.05476	54.0
93.07047	70.0
93.87015	3.0
94.07366	5.5
95.04978	49.3
95.08607	46.4
97.06516	12.7
97.10152	6.2
102.27645	3.3
103.05440	6.3
105.04509	3.4
105.07032	88.6
106.07314	4.1
107.08593	77.2
109.06519	20.7
109.10146	36.3
111.08046	9.2
115.05417	5.5
117.07017	21.4
119.08580	100.0
121.06541	15.5
121.09329	6.2
121.10144	87.7
122.10500	4.3
123.08076	17.1
123.11727	15.8
125.05988	4.2
125.09626	12.6
128.06226	13.3
129.06993	19.5
130.07803	5.0
131.08562	52.6
133.06554	4.0
133.10132	71.5
135.08035	14.3
135.11684	29.1
137.09589	5.7
139.11143	6.4
141.06979	9.8
142.07780	23.9
143.08575	47.1
144.09277	6.2
145.06535	3.6
145.10129	71.8
146.07146	3.2
146.10518	4.6
147.08025	14.3
147.11700	29.4
149.09599	19.5
149.13324	5.5
151.07542	7.0
151.11174	9.9
153.06932	5.3
153.08998	3.4
154.07849	4.8
155.08510	20.7
155.10617	8.0
156.09349	15.8
157.10149	55.6
158.10622	7.8
159.08018	14.8
159.11691	46.4
160.12068	3.9
161.09604	18.9
161.13249	12.2
163.08585	3.8
163.11172	11.4
165.06964	10.4
165.09140	11.9
166.07877	4.6
167.08517	11.4
167.09196	3.5
167.10678	68.5
168.09254	5.8
168.10919	3.0
169.10126	33.9
170.10829	11.0
171.07997	3.6
171.11694	38.1
172.12270	4.5
173.09616	9.7
173.13235	24.6
175.11177	11.9
175.14803	23.1
177.16402	4.0
179.08525	13.0
180.09288	7.8
181.10103	13.9
181.12297	3.6
182.10843	11.7
183.10555	2.7
183.11734	31.0
184.12386	3.0
185.09573	8.0
185.13248	27.9
186.13712	4.1
187.11206	5.2
187.14801	16.2
189.12711	5.1
189.16301	8.0
191.14253	8.9
192.09215	4.5
193.10120	9.3
194.10864	9.5
195.11746	19.5
196.12329	6.0
197.09576	4.6
197.13245	28.5
198.13687	3.3
199.11165	6.9
199.14813	15.9
201.12791	7.5
201.16406	9.6
203.14314	7.8
206.10913	7.0
207.11795	15.4
207.13501	4.4
208.12495	6.9
209.13211	21.3
209.15233	6.1
210.13823	6.9
211.11194	4.9
211.14864	17.0
213.12770	10.6
213.16328	6.3
215.14342	8.8
217.15886	6.9
219.11642	5.9
220.12422	8.8
221.13223	10.3
221.15343	19.1
223.14842	15.8
225.12701	5.0
225.16374	8.9
227.14272	11.1
227.17857	3.7
229.15897	3.7
233.13252	7.1
233.15375	27.1
235.14790	11.2
236.15459	3.9
237.16322	11.0
238.16768	4.9
239.14220	3.1
239.17960	5.9
243.11473	5.1
245.13263	5.7
246.13898	4.6
247.14832	4.5
249.16211	6.8
251.17964	5.5
253.19571	3.4
255.17383	7.2
261.16354	6.4
263.17984	6.0
265.19574	8.5
267.17609	3.8
269.18921	10.0
277.19531	3.8
281.19055	5.2
283.20538	7.9
287.20193	5.5
295.20706	5.7
299.20261	4.5
301.21799	4.0
312.21216	3.6
319.23984	3.8
415.29697	6.7
433.31055	30.7
565.39868	5.6
583.41241	13.3
601.42596	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45295	2.0
53.03960	2.9
55.05509	6.3
57.07061	9.1
59.04987	4.3
67.05499	13.7
67.05785	2.4
69.03416	10.3
69.07053	9.3
71.04993	2.3
71.53790	3.5
73.49283	2.5
79.05492	16.5
81.07052	23.0
83.04974	2.2
85.06528	3.8
89.06062	2.2
91.05475	26.8
93.07040	40.1
95.04970	12.5
95.08617	21.1
97.06525	6.0
103.05491	2.4
105.07037	44.7
107.08599	30.3
109.06503	10.8
109.10141	9.9
111.08105	3.3
115.05370	2.8
117.07015	9.3
119.08583	49.5
120.08874	3.9
121.06505	6.2
121.10165	23.6
123.08068	15.6
123.11687	6.0
125.05994	4.4
128.06207	5.8
129.07002	7.6
130.07794	3.5
131.08560	21.2
133.06480	2.8
133.10162	22.1
135.08060	12.8
135.11702	6.6
137.05934	2.3
137.09645	14.1
141.06940	3.5
142.07741	8.0
143.08560	16.1
144.09216	4.3
145.10136	32.9
146.10445	4.1
147.08047	25.7
147.11661	8.0
149.09605	6.8
151.07553	14.7
155.08543	6.7
156.09308	9.3
157.10162	17.3
158.10701	3.4
159.08081	5.0
159.11667	19.1
160.12050	4.0
161.09572	9.1
161.13229	5.3
163.11189	11.8
165.09111	49.7
166.09485	4.2
167.08618	4.1
169.10124	9.5
170.10762	4.1
171.11705	13.3
173.09462	2.9
173.13268	8.5
174.13712	3.0
175.11136	7.2
175.14851	5.2
179.08556	3.0
179.10643	2.7
181.10127	6.2
181.12230	9.4
183.11652	7.9
185.13228	6.9
187.11136	4.6
187.14783	3.7
189.12843	3.0
191.14285	3.8
193.10086	4.1
193.12115	3.2
195.11740	6.2
195.13498	3.2
196.12318	3.7
197.13242	8.5
197.16194	2.2
199.11287	2.5
199.14799	4.2
203.14325	17.1
204.14642	2.8
207.11789	4.6
207.13773	7.3
208.12378	4.3
209.13239	6.0
209.15147	4.1
209.25818	2.3
211.11295	2.4
211.14723	6.8
213.16415	2.5
220.12361	2.6
221.15366	100.0
222.13705	3.5
222.15648	10.6
223.14696	4.1
225.12689	3.0
225.16411	3.2
227.14294	3.8
227.17876	2.9
229.16031	2.6
234.15997	3.8
234.61331	2.2
235.14575	2.9
235.16634	4.1
247.16936	9.3
248.17439	2.9
265.46503	2.6
274.19247	2.5
276.68506	2.2
285.18436	3.7
286.19186	3.7
287.19989	6.5
299.20001	3.1
300.20642	6.1
301.21600	4.6
311.19934	2.3
316.16043	3.0
326.22003	3.1
340.24078	3.5
352.23849	4.9
353.24420	5.9
367.26102	4.2
377.25018	2.8
378.25784	2.9
393.27631	4.2
420.29529	3.3
440.28964	4.0
441.29645	8.0
491.35272	6.5
509.35934	4.2
521.35864	13.7
583.41589	10.0
601.42371	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.8
57.07067	8.2
67.05492	5.7
69.03432	6.1
69.07066	6.3
69.46971	17.8
69.47398	5.0
70.19065	2.4
71.20071	2.5
79.05508	12.8
81.07045	20.2
83.05008	6.1
83.08645	2.7
85.06539	3.6
89.05971	2.6
91.05479	19.3
93.07054	29.7
95.04964	9.7
95.08605	16.7
97.06539	3.4
98.21489	4.6
103.05481	2.3
105.07032	34.9
107.08612	17.6
109.06517	9.1
109.10140	11.2
115.05461	2.8
117.07031	5.5
119.08589	31.4
120.08945	3.8
121.10152	21.3
123.08106	17.7
123.11700	3.2
125.06008	5.3
129.07005	5.5
131.08583	18.7
133.06445	2.7
133.10109	20.6
135.08063	9.6
135.11679	4.6
137.09601	10.9
141.43161	2.7
142.07805	7.3
143.08609	11.9
144.10205	6.7
145.10130	27.1
147.08083	19.5
147.11694	8.3
149.09622	6.2
151.07544	10.3
155.08600	3.4
157.10132	15.9
158.10602	4.4
159.07973	2.6
159.11722	14.3
161.09578	7.7
161.13380	3.1
163.11203	11.6
164.11519	3.0
165.09129	36.7
166.09451	4.7
167.08600	3.6
169.10126	7.9
171.11691	11.6
173.13326	7.2
175.11223	4.1
175.14842	6.9
181.10120	5.3
181.12225	11.4
182.12669	3.3
183.11710	10.3
184.12132	2.9
185.13258	6.2
187.14842	7.2
189.12732	5.3
193.10168	4.1
193.12230	3.3
195.11716	6.5
196.12352	2.9
197.13263	8.5
203.14322	16.9
204.14638	3.9
207.11758	2.5
207.13828	7.6
209.13239	6.1
209.15123	3.0
211.14841	4.5
213.12605	3.9
221.13353	4.2
221.15353	100.0
222.15753	13.3
227.14255	3.9
232.24658	2.7
234.16298	3.8
237.16263	3.6
247.17026	5.2
247.43980	2.6
248.17316	3.7
277.15778	2.9
287.20041	7.1
288.20377	3.0
299.20166	5.9
300.20639	4.0
301.21594	4.5
313.21475	4.3
341.24014	3.2
352.23923	7.0
353.24432	6.0
367.26498	4.3
393.28012	3.3
428.28537	3.8
440.29279	4.7
441.29559	9.9
491.34982	7.6
509.36151	5.8
521.35608	6.1
582.46844	2.6
583.41626	12.6
601.42322	40.8
602.42297	4.8
611.63428	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	601.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.05511	6.7
57.07073	5.1
59.04993	3.1
65.03934	1.6
67.05499	7.8
69.03423	4.8
69.06730	1.6
69.07070	20.1
71.04991	1.9
71.08615	3.8
72.99841	1.0
73.06590	0.9
73.43142	1.0
74.73017	1.0
79.05471	3.2
81.03419	9.2
81.07040	4.2
83.04977	14.4
83.08614	2.2
85.06534	4.0
85.10148	1.0
91.05482	8.1
92.33652	1.0
93.07047	5.3
95.04970	2.9
95.08601	6.4
103.05447	2.4
105.07022	6.8
107.08577	2.8
109.10128	2.2
111.08069	1.2
111.11703	1.1
115.05446	4.3
117.07003	2.4
119.04922	2.2
119.08544	5.1
121.06477	1.9
121.10130	4.7
123.11695	1.8
128.06198	1.9
129.07004	1.4
131.04924	17.4
131.08569	2.6
133.08627	1.3
133.10104	3.7
135.11659	1.9
141.07056	2.5
142.07751	1.1
143.08508	1.7
145.06490	2.3
145.10170	2.6
145.55038	1.1
147.04401	33.7
147.08051	1.4
154.07831	1.7
155.08534	3.7
157.10158	2.1
159.04414	9.8
159.08055	1.6
159.11653	2.0
160.05183	2.0
161.05939	4.8
161.09639	2.1
163.03917	4.5
168.05743	1.5
169.10127	2.3
171.04414	1.3
173.06003	5.7
174.03128	10.5
175.03905	53.5
177.05498	6.5
179.08609	1.0
182.07329	1.1
183.04395	1.4
183.08006	7.7
185.02301	1.5
185.06004	1.5
185.13295	1.0
187.03902	23.9
187.07509	3.2
189.05493	5.7
189.09117	1.3
193.04871	1.3
197.05939	1.5
197.09578	1.7
199.03876	7.3
199.07626	1.2
200.04619	1.9
201.05511	7.8
201.09044	1.5
202.02629	17.8
203.03387	100.0
211.07529	11.1
212.04665	1.1
213.05424	5.9
213.09012	1.2
214.06187	2.1
215.03410	9.6
215.07040	2.7
217.08611	1.2
225.09061	3.8
226.06198	2.8
227.07013	4.4
228.07846	1.6
229.08588	26.4
229.66116	1.2
231.10196	6.7
237.08804	1.4
241.08617	15.2
243.10156	22.0
243.13902	1.8
245.08163	7.9
247.09668	16.5
253.08604	4.5
259.09616	5.3
271.09637	35.0
271.13196	5.1
271.37256	1.0
289.14456	2.1
295.13306	4.8
313.14304	14.9
313.27267	3.9
331.15408	4.0
345.17029	1.6
363.26996	1.6
532.17255	3.1
533.18506	1.8
583.40747	1.4
601.24902	2.1
601.41199	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	601.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.3
55.05495	0.8
57.07063	0.8
65.03677	0.2
65.03942	2.7
67.05505	10.4
69.07067	8.6
69.62780	0.2
76.97812	0.2
77.03917	0.3
79.05462	0.4
81.07063	0.7
81.83934	0.3
83.08611	0.3
85.06541	6.2
85.43607	0.3
87.04461	0.7
89.03903	0.8
89.06026	4.7
91.05479	2.1
93.07039	0.7
95.04965	0.6
95.08587	0.6
97.10148	0.4
103.05445	0.9
105.07045	0.5
107.08556	0.5
109.10128	0.3
115.05443	0.4
117.07054	0.5
118.04153	0.3
119.04937	0.8
119.08566	0.9
121.10145	0.6
124.57972	0.3
128.06212	0.7
129.03368	1.3
129.06973	0.4
131.04924	6.5
133.08598	2.8
133.10078	0.6
134.08937	0.3
143.08504	0.5
145.02863	1.7
145.06517	0.4
145.10085	0.9
147.04401	19.8
155.08551	0.6
157.02856	2.2
157.10069	0.4
159.04396	7.4
159.11713	0.3
161.05936	0.3
161.13254	0.4
163.03914	0.6
165.06989	0.4
169.06435	0.3
171.04385	1.1
171.08009	0.6
173.02342	6.3
173.05911	1.8
173.09631	0.5
174.03134	1.0
175.03903	31.4
176.04424	0.3
177.11214	1.1
183.11537	0.4
185.02403	1.8
185.05939	0.4
186.06792	0.3
187.03899	11.5
187.07495	2.1
189.05434	0.8
195.07980	0.4
199.03909	2.4
199.07564	1.1
201.01823	7.3
201.05501	3.1
201.09087	0.7
202.02640	2.0
203.03384	100.0
204.03719	1.3
213.05446	2.4
214.06270	0.7
215.03398	1.8
215.06964	0.4
217.08783	0.3
225.88309	0.3
227.07001	3.6
229.08588	34.5
230.08916	0.8
231.02977	0.3
241.08586	2.3
243.06580	2.0
243.10144	0.7
245.04491	0.4
247.09657	13.0
251.07027	0.4
259.09619	0.5
269.08105	10.4
287.09131	10.0
299.09213	0.4
313.14307	0.4
315.15933	0.5
403.11624	0.4
415.25354	1.0
416.25659	0.4
515.16760	0.5
601.15601	0.4
601.24402	4.0
601.41461	1.0
602.24139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11689	0.3
55.05500	0.6
56.83034	0.3
57.07064	1.5
65.03934	2.5
67.05506	10.3
69.06733	0.5
69.07072	7.8
71.53161	0.4
72.10111	0.3
79.05479	0.6
81.07033	0.5
85.06547	6.1
87.04446	1.1
89.03921	1.1
89.06036	5.5
91.05479	2.8
93.07035	1.1
95.04971	0.6
95.08588	0.8
95.13782	0.4
103.05469	0.8
105.07030	1.1
107.08609	0.6
109.10139	0.7
115.05464	0.8
117.07008	0.6
119.04942	1.0
119.08573	1.0
121.10151	0.6
121.74088	0.5
128.06242	0.8
129.03358	1.3
129.06989	0.5
131.04028	0.6
131.04932	6.4
131.08655	0.5
133.08611	3.9
133.10100	0.7
134.08981	0.5
141.07022	0.5
143.08562	0.7
145.02855	2.0
145.06488	0.6
145.10155	0.7
147.04413	19.1
155.08556	0.7
157.02852	2.8
157.10196	0.4
159.03230	0.6
159.04425	7.1
159.11697	0.4
163.03824	0.5
171.04378	0.7
171.07986	0.5
173.02361	7.3
173.05989	1.3
173.13297	0.5
174.03114	0.5
175.03915	35.3
177.05351	0.5
177.11224	1.3
185.02347	1.8
186.03023	0.5
187.03899	10.5
187.07506	1.5
189.05460	1.1
195.49252	0.3
199.03886	2.7
199.07527	1.5
201.01822	7.5
201.05493	2.9
201.09143	0.5
202.02695	1.8
203.03400	100.0
204.03685	1.4
211.07733	0.4
213.05525	2.3
213.09084	0.4
215.03412	1.8
215.07027	0.4
221.13602	0.5
222.44884	0.3
223.07597	0.5
227.07013	3.1
229.08607	33.8
231.03021	0.5
241.08588	2.1
243.06523	1.2
243.10123	0.8
247.09682	11.3
251.06995	0.4
269.08093	10.0
287.09116	8.7
297.14816	0.5
313.13788	0.5
315.15884	0.9
415.25424	0.7
416.25708	0.8
431.11163	0.5
487.75269	0.4
515.17096	0.5
528.63336	0.4
601.24451	3.4
601.40363	0.6
602.24091	0.5
613.45612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.03936	0.9
55.01868	1.1
55.05494	0.8
57.03435	0.8
67.05499	1.1
68.99791	0.7
69.03434	4.8
69.07063	0.7
70.06583	1.7
70.73505	0.9
70.73872	0.9
71.05003	0.5
72.08163	0.6
73.02909	0.8
79.01854	0.8
79.05492	2.1
81.03423	3.8
81.07047	1.6
83.04986	0.9
84.08142	0.4
85.02905	3.5
86.09705	0.9
87.00814	1.6
91.03894	0.4
91.05478	1.4
93.07030	1.6
95.04943	0.5
95.08591	1.1
97.02895	3.0
99.04445	1.7
103.05470	0.5
105.01865	0.7
105.03384	0.8
105.07030	1.0
107.04955	1.3
107.08596	1.2
109.02888	3.1
109.10145	1.0
111.04424	0.5
117.06960	0.4
119.04941	2.0
119.08575	0.7
121.02859	5.2
125.05077	0.4
127.03918	3.4
131.04875	2.2
133.10135	0.8
135.11792	0.5
137.05867	0.5
145.02846	1.0
145.04996	0.8
145.10123	0.5
147.04442	0.9
149.02354	0.6
151.11195	0.7
159.02901	0.5
161.06021	0.7
165.01839	1.2
166.63899	0.5
167.03380	1.0
172.86929	0.4
175.03978	0.9
183.02921	1.9
184.41899	0.5
189.05470	1.1
190.05865	0.4
207.06522	1.0
213.05458	1.7
217.04840	2.1
242.05809	0.7
255.06636	0.8
259.06064	0.5
270.05258	1.5
271.06024	4.5
283.06006	36.0
284.06760	2.7
292.07278	1.2
293.08032	5.9
295.06018	10.9
307.09628	5.2
311.09030	1.0
320.06726	0.9
321.07727	0.6
325.10706	17.8
335.09140	11.5
337.10782	1.7
353.10190	100.0
353.26913	1.1
354.10583	1.6
374.88028	0.4
395.11014	1.3
461.12491	0.9
515.15558	3.4
557.16376	1.2
583.14215	0.9
600.34747	0.5
601.15515	7.3
601.31549	0.6
602.15125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01857	0.4
55.05494	0.5
57.03403	0.3
65.03910	0.5
67.05472	0.9
67.05810	0.2
68.99766	0.9
69.03428	2.1
69.07028	0.4
69.95257	0.7
69.95654	0.4
70.06586	1.2
70.28839	0.3
71.04968	0.3
72.08117	0.4
79.01814	0.4
79.05493	1.6
81.03411	2.0
81.07053	1.3
83.04951	0.3
83.08549	0.3
85.02907	1.9
85.06521	0.4
86.09689	0.3
87.00802	0.7
91.05492	2.0
93.07043	4.2
95.04939	1.1
95.08581	1.0
97.02894	1.4
97.06522	0.2
99.04415	0.9
103.05468	0.4
105.03339	0.7
105.07022	1.8
107.04916	1.0
107.08573	0.7
109.02877	2.0
109.06459	0.4
109.10094	0.5
111.04419	0.4
115.05408	0.9
117.07010	0.5
119.04111	0.4
119.04925	2.5
119.08556	0.7
120.08140	0.3
121.02872	8.7
121.03794	0.3
121.06499	1.5
121.10171	0.5
121.92520	0.2
123.08029	0.3
123.11674	0.5
127.03931	1.6
129.07018	0.3
131.04942	1.7
131.08517	0.5
133.06503	1.9
133.10117	1.1
135.04384	0.3
135.08051	0.5
135.11646	0.4
143.04944	0.3
143.08545	0.4
145.02838	5.2
145.04895	0.3
145.06461	0.5
145.10118	0.5
147.04385	1.5
147.08025	0.4
147.11668	0.7
149.05923	0.3
149.09570	0.4
155.08459	0.3
157.06454	0.4
157.10124	0.4
159.08012	0.4
161.05956	2.2
161.09550	0.5
163.03854	0.4
163.07491	0.4
165.01813	0.4
165.09077	0.5
167.06993	0.4
171.04388	0.6
173.06036	0.3
174.03123	0.6
175.03876	1.0
179.07040	0.6
183.02924	0.3
185.06023	0.5
187.03799	0.4
189.05478	12.0
191.07040	0.3
195.08067	0.5
201.88428	0.3
202.02571	0.3
206.04463	0.4
207.06528	4.8
208.08731	0.5
209.15318	0.5
213.05627	1.2
213.16444	0.3
217.04951	5.3
235.05852	0.5
236.08186	0.4
247.07497	0.3
251.10556	0.5
261.09027	0.7
263.07056	0.8
264.07678	0.7
265.08685	0.5
267.06543	1.3
270.05270	0.7
271.06003	1.6
279.10141	3.8
283.06018	10.4
284.06653	1.0
289.08597	0.7
290.09512	0.3
291.06500	0.9
292.07300	13.1
293.08099	3.3
295.06003	5.0
298.24985	0.2
305.07950	0.4
305.14587	0.3
307.09631	46.6
308.10114	0.8
311.09030	0.4
320.06812	1.1
321.07599	0.3
325.10718	7.3
335.09128	100.0
336.09384	1.6
353.10187	40.0
354.10464	0.5
393.23645	0.3
395.89279	0.2
462.02328	0.3
515.15546	1.5
557.16510	0.3
601.15430	3.8
601.25299	0.4
618.81879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01870	1.0
57.03440	0.7
61.02928	0.6
65.03946	0.1
68.99786	0.5
69.03432	4.0
69.84547	0.2
69.84940	0.2
71.04979	0.4
73.02921	0.8
81.03420	5.1
81.07035	0.2
83.01321	0.2
85.02906	6.1
87.00829	2.7
91.03957	0.3
95.04977	1.2
96.55034	0.1
97.02298	0.1
97.02896	2.4
97.03515	0.1
98.20845	0.1
99.04449	1.6
105.01860	1.6
105.03397	0.1
105.04482	0.1
105.06991	0.1
106.88137	0.1
107.04970	0.2
109.02882	3.9
109.10182	0.1
111.04433	0.1
115.31980	0.1
117.01854	0.7
117.07065	0.1
121.02869	4.7
123.04422	0.3
127.03915	4.8
129.01877	0.5
129.07022	0.1
133.02834	0.1
133.10083	0.1
145.04964	1.4
145.06438	0.4
147.02896	0.4
151.03894	0.3
159.02899	2.4
171.99068	0.1
175.07512	0.2
176.04689	0.2
177.04060	0.1
179.03400	0.9
185.06004	0.2
191.03389	0.4
201.05458	1.4
203.03403	0.4
203.07004	0.1
213.03865	0.2
213.05635	0.1
215.18547	0.1
219.06427	0.5
231.04964	0.7
233.09665	0.1
235.07680	0.1
261.09180	0.2
264.07755	0.1
269.08109	0.1
271.06012	0.3
283.06036	0.4
287.05316	0.1
291.06628	0.1
292.07333	1.1
293.08081	0.2
299.05542	0.9
309.07501	0.3
310.08356	0.1
311.05481	0.6
311.09238	0.4
320.06998	0.1
321.07623	0.4
323.05383	0.5
324.06192	0.3
325.07101	0.2
335.09140	5.5
336.09735	0.1
337.07053	4.3
338.07809	2.4
351.08716	0.1
353.10184	100.0
354.10449	1.4
395.11301	0.3
419.10944	0.1
461.12415	0.1
468.19498	0.1
490.67700	0.1
601.15314	0.1
611.49902	0.1
623.28540	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83142	0.8
53.03950	1.1
55.01869	3.3
55.05509	5.3
56.05040	1.0
57.03426	0.8
57.98783	0.8
58.99582	13.7
67.05500	9.6
69.03434	3.7
69.07063	5.6
70.06584	6.8
71.05003	2.1
71.52969	1.3
76.02228	70.5
76.03999	1.9
79.05489	8.1
81.03419	4.0
81.07060	12.1
83.04974	2.9
83.06099	1.5
83.08623	2.4
84.04498	14.0
84.08129	1.2
85.02902	4.9
85.06557	0.9
86.99048	3.3
88.02217	1.6
91.05481	9.8
93.07041	11.6
93.44069	0.8
95.04965	3.3
95.08610	8.8
97.02889	1.5
97.06532	1.9
97.10178	1.9
99.05583	1.2
105.01878	0.8
105.06371	1.5
105.07027	10.8
107.04960	3.3
107.08593	7.3
109.02873	1.8
109.06535	4.7
109.10137	4.8
111.08121	0.7
114.03761	1.5
116.01672	17.8
116.07110	1.4
117.07023	3.0
119.04925	1.2
119.08590	6.5
121.02839	1.2
121.06504	3.6
121.10168	5.0
121.98735	0.9
123.08069	1.8
123.11682	1.4
125.09637	1.2
127.03905	2.7
129.06592	1.0
130.05003	5.0
131.04932	1.0
131.08588	6.4
133.06482	2.0
133.10135	8.1
135.04404	1.5
135.08083	1.2
135.11685	2.4
137.05962	1.1
137.09732	1.2
142.03244	5.6
143.08548	1.9
144.01138	10.8
145.06346	0.7
145.10098	6.4
147.04378	1.4
147.08064	2.2
147.11681	4.2
149.05968	0.8
149.09648	1.8
149.13255	1.4
151.11192	2.5
155.08559	1.2
157.10150	1.9
159.08081	2.2
159.11676	4.1
161.09666	1.8
161.13284	1.0
162.00819	1.9
162.02196	37.0
163.03909	0.9
163.11237	1.4
163.14804	0.8
165.03571	0.9
165.09166	1.2
169.10117	1.2
170.02724	3.4
173.09641	1.4
173.13361	2.3
175.03917	2.9
175.11195	1.6
176.04286	1.3
177.05472	1.7
177.12804	1.4
179.04852	100.0
180.46619	0.8
183.11618	1.9
184.07364	1.5
185.13263	1.1
187.05391	1.7
187.11160	1.5
189.12749	1.2
191.10661	0.9
191.14284	1.6
201.09087	1.2
201.12772	1.0
207.06500	1.4
207.13751	1.9
208.07196	0.9
215.04823	1.7
215.10689	1.1
219.10181	4.1
219.13750	0.9
229.08662	0.9
233.05846	13.0
245.05922	2.7
247.09769	1.0
248.10165	0.9
257.19031	4.3
261.11285	6.5
271.06000	4.1
273.05835	0.9
273.18469	4.5
275.20053	27.7
279.12292	5.9
290.07907	1.1
291.06616	2.2
291.19519	2.5
293.21103	19.1
308.09109	29.2
317.17529	2.7
350.21249	0.9
353.10336	1.7
368.22614	10.0
378.20844	1.0
453.24072	6.1
471.25391	2.0
525.26306	2.8
582.28705	1.9
600.21179	1.9
600.29230	7.3
600.37653	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.01867	1.6
55.05520	3.3
57.03424	0.8
57.07082	0.8
58.99575	1.5
63.44355	0.6
63.94341	0.5
67.05507	8.0
69.03411	1.0
69.07079	3.3
70.06597	30.5
70.65558	0.9
70.65892	0.7
71.04992	0.8
71.06926	3.6
73.01171	0.7
74.00668	2.3
76.02216	2.1
79.05492	7.4
80.05025	1.4
81.03403	1.2
81.07060	19.0
82.06591	1.0
83.04991	1.2
83.06103	1.7
83.08623	3.1
84.04508	5.2
85.01114	1.4
85.06527	0.7
86.00678	1.0
86.09704	1.0
86.99005	0.5
87.02689	0.5
88.02219	0.9
91.05488	5.7
93.05810	0.5
93.07051	7.5
94.06570	1.2
95.04955	2.5
95.08616	11.3
96.08153	0.6
97.01130	1.4
97.10202	0.8
98.06081	2.9
99.01414	3.9
99.02663	1.0
99.05640	0.7
99.06377	0.8
99.61946	0.5
100.02218	5.6
105.07037	7.3
106.06579	0.6
107.04955	1.5
107.08605	3.8
108.08147	0.6
109.06533	3.9
109.10154	4.5
111.02703	0.9
111.08115	0.8
112.02208	7.4
113.00567	0.6
113.03000	1.6
113.04223	0.9
114.03751	8.2
115.05762	0.5
116.01689	1.6
117.07008	2.4
119.08583	5.1
120.08112	4.6
121.06525	1.7
121.08450	1.5
121.10175	3.0
122.09701	1.0
123.02660	0.5
123.08080	0.9
123.11731	1.0
125.04219	1.6
125.09628	0.7
126.03740	3.1
126.05515	1.7
129.06685	1.7
130.05026	1.1
131.08591	3.5
133.06538	0.7
133.10149	3.8
135.08051	0.9
135.11693	1.3
136.03818	0.6
137.09605	0.6
138.03711	3.1
138.12773	3.9
139.05775	0.5
139.13139	1.2
140.05302	6.3
142.03262	0.6
143.08560	0.8
144.01151	1.0
145.06140	1.2
145.10141	3.4
147.08032	0.8
147.11694	3.5
149.09615	1.0
149.13271	1.6
151.05751	1.2
151.11124	0.6
152.05344	1.8
153.06584	1.0
154.06851	1.5
154.08646	0.6
157.09851	2.1
159.11685	1.7
161.13303	0.8
163.11183	0.9
163.14859	1.0
166.06906	1.7
167.08139	2.3
167.11813	0.7
168.08441	17.0
169.10240	0.6
171.11650	0.8
172.11229	1.4
173.11642	0.7
173.13297	1.5
175.14827	0.5
177.10292	0.6
179.04915	1.2
180.08353	0.6
181.06093	1.1
185.03867	2.2
185.09274	1.6
186.09521	0.8
191.14372	1.5
193.06131	0.8
193.12210	0.7
195.06544	1.5
195.11433	0.8
202.04088	1.4
209.15369	2.7
210.15027	0.6
212.16629	0.5
216.05637	2.6
222.14993	0.6
224.10365	2.4
225.10699	1.4
229.19655	0.9
231.04425	2.9
233.05968	0.8
236.14558	1.0
236.16574	1.0
241.06459	1.4
242.11406	2.0
243.11696	1.1
248.16368	0.7
255.08066	3.1
257.19052	0.6
263.21484	0.5
264.14172	7.0
269.09515	1.4
270.10315	7.4
271.11197	2.0
275.20065	6.9
281.14304	1.0
282.15225	28.6
283.15283	1.3
293.21133	1.3
307.17557	0.9
308.09045	1.4
322.48846	0.7
323.15887	0.8
332.20755	0.9
333.18790	2.2
339.16931	1.4
340.17090	1.1
350.21521	9.3
351.19843	2.2
362.19107	1.3
368.22565	12.4
378.20908	0.7
384.12256	0.8
384.17181	13.0
385.17908	2.9
453.24222	100.0
454.24368	1.1
458.24026	0.7
459.24265	2.6
486.23840	1.5
487.23587	4.6
525.26270	5.9
572.32721	10.9
582.28735	1.8
600.31317	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	600.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
54.14816	0.6
55.01857	0.8
55.05506	1.6
56.49324	0.5
57.03436	0.9
57.07080	0.9
60.82635	0.6
65.03946	1.6
66.50156	0.5
67.05183	0.7
67.05510	10.4
69.03425	2.9
69.07066	1.2
70.06599	5.5
70.10599	1.5
70.10995	0.9
71.04995	1.0
72.08137	1.0
79.05479	2.1
81.03416	3.9
81.07050	2.9
83.05005	1.0
84.04530	0.7
84.08144	1.4
85.02919	4.2
85.06554	5.7
86.06063	1.1
86.09697	1.8
87.00804	1.3
91.05471	2.9
93.07027	2.2
95.04960	1.8
95.08585	2.1
97.02895	1.8
97.27590	0.6
98.20837	0.8
99.04433	1.3
102.05532	0.6
103.51377	0.6
105.03385	0.9
105.07037	2.0
107.08549	1.3
109.02885	2.8
109.10143	0.8
110.09727	0.6
111.04398	0.6
111.08067	1.0
116.07079	0.9
119.04920	1.6
119.08562	0.7
120.08072	1.1
121.02872	0.8
121.06474	0.7
124.07581	0.8
127.03930	3.8
128.07132	0.7
129.06989	0.6
131.04924	0.7
131.08537	0.7
135.04379	1.4
136.07590	0.6
142.08662	0.6
142.12321	0.8
145.02792	1.2
145.04987	0.8
145.10149	1.0
147.00783	0.9
147.04414	2.5
149.05937	0.6
154.08556	0.7
155.14334	0.7
162.03073	0.6
166.08629	0.6
167.07060	0.9
175.03909	23.4
175.11224	0.7
177.05467	1.1
178.04941	0.6
188.01086	3.4
203.03387	14.2
205.12183	0.7
206.04506	1.2
207.06528	1.9
215.03442	3.5
215.14287	0.6
216.04134	2.3
217.01335	1.3
217.05043	1.1
218.02103	21.8
221.99332	0.5
229.04947	1.9
230.02090	1.5
231.02888	100.0
232.03305	3.4
233.04451	70.9
234.04794	1.5
238.18004	0.7
245.04437	0.7
257.08173	0.9
267.16049	0.9
271.05884	0.9
271.66602	0.6
273.07526	1.4
273.14880	1.3
287.05316	0.6
299.09137	22.6
300.09540	1.4
313.49155	0.6
317.10208	55.1
318.10452	2.4
326.23245	1.1
333.23907	0.6
335.11295	2.2
353.10294	0.9
438.08499	0.7
564.35645	1.0
600.24237	0.9
600.36829	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	600.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07957	0.6
53.03937	1.3
54.96445	0.6
55.01867	1.1
55.05504	1.1
56.05011	0.8
57.03423	0.9
57.07065	0.6
57.45741	0.6
64.89219	0.7
65.03919	2.1
67.05503	10.3
69.03416	2.6
69.07060	1.5
70.06591	6.9
70.52145	1.7
70.52493	1.2
71.04983	1.5
72.08133	1.6
79.05478	2.5
81.03419	5.2
81.07043	3.4
83.04976	0.8
84.04496	0.8
84.08142	1.3
85.02908	3.7
85.06549	6.2
86.06061	1.3
86.09702	1.6
87.00820	0.7
87.76273	0.6
91.05476	4.2
92.08691	0.8
93.07056	1.6
95.04958	1.1
95.08614	1.6
97.02888	2.1
97.06521	0.9
99.04453	0.9
105.03393	0.9
105.07017	1.5
106.60522	0.8
107.04952	1.3
107.08565	1.9
109.02863	3.9
109.10153	1.5
116.07050	1.1
119.04936	1.7
119.08613	1.1
120.08078	1.2
121.02875	1.0
121.06509	0.8
121.10119	1.7
123.08099	0.8
123.11710	1.2
124.07551	0.8
127.03941	3.7
129.06932	0.8
129.10170	0.7
131.08549	1.3
133.02859	1.8
133.06522	0.7
133.10071	1.0
135.04385	0.9
136.07530	1.2
137.05959	0.9
142.12273	0.8
145.04933	1.2
145.10086	1.1
146.06033	1.0
147.04401	2.6
147.08076	0.8
149.02327	1.3
149.09633	0.7
151.03923	0.9
152.06992	1.2
154.04898	0.8
154.08592	0.8
159.02802	0.6
159.04596	0.7
160.01607	0.8
167.03436	1.6
167.64566	0.7
173.09595	0.8
173.15340	1.1
175.03917	19.8
177.05501	0.9
187.03983	0.8
187.07483	1.0
187.11201	0.7
188.01019	2.9
202.21288	0.7
203.03383	13.6
206.04500	1.1
207.06564	1.2
213.04042	0.9
215.03369	4.1
216.04134	1.8
217.01282	1.1
218.02115	20.8
229.04897	1.2
230.02107	1.5
231.02888	100.0
232.03433	2.5
233.04449	73.8
234.04828	0.9
245.04486	1.7
254.17653	0.8
257.08173	0.9
267.15738	0.9
273.14877	2.6
289.14224	0.9
297.07565	0.7
299.09146	26.1
317.10196	61.7
318.10342	1.4
335.11230	1.1
353.10037	0.8
582.36206	0.8
600.25342	1.2
600.37823	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	599.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
55.05518	17.0
57.03433	6.5
63.90256	2.9
67.05505	47.1
69.07077	15.0
69.36091	24.6
79.05494	21.6
81.07053	50.8
82.81857	3.0
83.08617	11.3
91.05476	20.1
93.07041	37.4
95.08616	44.0
97.06532	3.1
97.10182	5.0
105.07040	27.2
107.08605	20.5
109.10171	27.0
117.07003	9.0
119.08575	24.9
121.10131	18.3
123.11692	8.6
131.08577	17.5
133.10136	19.8
135.11690	13.0
143.08542	7.2
145.10110	18.4
147.11667	11.4
149.13283	7.3
151.14816	3.4
157.10141	6.3
159.11722	16.2
161.13271	5.2
163.14775	3.1
169.10144	5.6
171.11716	7.7
173.13277	7.4
187.14767	7.3
190.97644	3.0
199.14870	4.9
201.97357	2.8
203.17920	4.1
247.20647	3.8
259.20654	3.9
261.22162	5.5
273.22284	3.5
275.12097	3.2
321.24329	8.5
323.25702	5.1
327.99835	3.5
333.24213	4.0
335.25867	10.0
337.27377	4.9
507.41653	6.8
525.42603	3.9
576.20178	3.2
581.45239	12.8
599.46722	100.0
599.60980	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	599.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20789	3.0
53.03950	4.7
54.62672	3.1
55.05510	15.5
57.07069	6.1
65.03943	4.3
67.05505	27.5
67.19863	3.1
67.66965	3.0
69.03416	6.9
69.07061	14.4
71.04977	6.6
71.54543	5.1
79.05499	42.6
81.03401	3.6
81.07058	35.9
83.04972	33.1
83.08618	7.9
84.89336	3.0
85.06541	3.4
91.05491	33.7
93.07046	60.4
95.04967	100.0
95.08604	45.9
97.06536	8.0
103.05453	3.9
105.07031	47.4
107.04973	8.8
107.08588	52.1
109.06497	18.2
109.10146	34.1
110.14792	3.1
111.08072	4.3
117.07015	11.2
119.07797	6.1
119.08579	52.3
121.06496	11.0
121.10134	49.9
123.04337	3.5
123.08078	12.6
123.11690	14.5
125.06026	4.4
128.06244	8.2
129.07016	13.9
131.08578	30.9
133.10115	36.6
135.08049	11.1
135.11664	27.7
137.09604	4.7
137.13313	7.3
139.07585	3.6
139.11145	3.6
141.06949	6.4
142.07773	8.3
143.08540	19.9
145.10129	32.5
147.08044	10.8
147.11682	16.3
149.09605	9.4
149.13252	5.9
155.08533	13.3
156.09296	5.6
157.10144	32.5
158.10732	3.7
159.08017	10.9
159.11682	30.6
161.09610	14.6
161.13237	13.8
163.11182	4.0
163.14810	6.0
165.07059	5.4
165.09010	6.2
167.08571	4.4
167.10686	5.2
168.09337	5.9
169.10129	18.6
170.10886	5.3
171.11641	18.6
173.13254	23.6
175.01602	4.5
175.11150	6.3
175.14825	15.3
177.16414	9.1
179.08563	4.8
181.10193	5.1
183.11742	17.1
185.13239	14.2
187.11253	6.0
187.14870	15.2
189.16400	13.0
191.17903	5.4
193.10176	4.5
195.11685	14.6
197.13252	14.2
199.11227	8.4
199.14833	11.2
201.12712	6.1
201.16364	12.5
203.14304	4.3
203.18042	6.0
205.16025	4.2
207.11674	7.5
209.13226	10.9
211.11185	4.9
211.14844	9.5
213.12886	15.9
213.16493	5.8
215.14317	10.5
221.13336	6.4
221.15385	4.3
223.14824	7.8
227.14313	11.2
227.17998	4.3
229.15884	9.7
233.15413	4.5
235.14836	7.0
239.17932	5.2
241.19626	5.9
247.15047	4.2
249.16444	4.8
251.14307	4.0
251.17886	6.3
263.17719	4.4
277.19330	5.5
291.20871	5.2
293.22546	6.6
297.18439	6.7
313.11966	3.9
319.24265	9.9
337.25339	5.7
405.31433	7.0
415.29892	18.5
421.13361	3.6
433.31000	81.2
434.31805	3.5
543.18707	4.7
581.39056	9.8
591.69934	4.2
599.25800	6.6
599.40887	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01868	2.9
55.05505	2.0
57.03418	1.4
57.29042	1.1
61.02908	1.6
63.47855	1.0
67.05495	3.2
68.99795	1.2
69.03428	10.7
69.23960	11.0
70.06577	7.3
71.04982	3.3
72.08143	2.1
73.02927	1.7
79.05505	2.2
81.03417	11.3
81.07082	1.9
83.04959	1.2
84.08126	2.2
85.02896	11.2
85.06539	3.2
85.07659	4.9
86.09703	3.4
87.00830	4.8
91.05482	4.2
93.07032	2.0
95.04974	1.6
95.08554	1.4
97.02901	7.3
97.06516	1.5
98.21487	2.0
98.54594	1.2
99.04437	2.8
105.01888	3.0
105.07026	2.6
107.04941	3.6
109.02867	9.1
109.06495	1.7
115.03880	1.3
117.01814	1.2
119.04925	2.8
119.08575	1.9
121.02849	1.7
125.39445	1.3
127.03920	9.2
129.01805	1.4
129.10249	1.5
131.08537	1.9
135.04387	3.5
135.11751	1.3
136.06148	1.7
136.07643	1.2
143.08572	3.0
145.04929	2.7
147.04390	7.7
151.03944	2.1
157.10120	2.3
159.02884	2.9
159.04265	1.3
161.05952	1.4
171.04401	1.5
171.08029	1.9
172.08698	1.2
173.05978	1.4
173.09644	2.5
175.03853	2.7
176.06998	2.7
177.05473	2.6
185.05923	1.7
185.09587	6.9
187.07500	1.3
187.61517	1.1
188.07222	1.3
189.05463	1.4
189.09088	13.9
198.06760	1.8
201.05437	1.3
201.09068	10.2
203.06972	1.5
203.10599	1.5
207.06531	3.7
207.10104	2.6
209.09715	1.4
212.08376	2.5
213.09084	28.7
213.12541	1.8
215.10684	5.1
223.11371	1.2
225.09158	2.1
227.10683	6.9
227.14204	10.2
229.08575	1.9
231.10229	4.3
237.12715	7.3
240.11513	3.8
243.10080	3.1
243.13733	1.1
245.11620	2.2
247.09988	1.1
249.05516	2.0
249.11270	2.3
253.12090	1.8
255.10280	3.1
255.13794	71.3
257.12738	1.9
261.11353	1.4
269.15244	6.1
273.11426	2.2
273.14844	6.9
289.06027	1.4
297.11691	2.0
297.14798	10.4
303.04880	9.2
313.14224	1.5
315.15894	100.0
316.16440	2.7
333.17023	2.1
339.15823	1.5
357.16858	7.2
381.17099	1.8
423.18155	2.0
441.19122	1.6
563.21240	1.4
599.35950	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
55.05507	0.9
56.05016	0.7
57.03437	0.9
57.24121	0.5
60.04516	1.9
61.32708	0.6
63.09067	0.6
67.01853	0.5
67.05499	0.8
69.03424	2.3
70.06593	5.3
70.66173	1.6
71.04981	0.7
72.08159	1.5
73.02951	0.7
79.05492	1.6
81.03427	2.8
81.07053	1.7
84.08144	2.5
85.02905	5.9
85.06555	0.7
86.09701	1.6
87.00822	0.8
89.60484	0.6
91.05455	2.7
93.07058	1.4
95.04946	1.8
95.08588	0.7
97.02891	2.3
99.04462	1.0
101.02401	0.8
105.03398	0.7
105.07037	1.5
107.04955	100.0
107.08621	1.3
108.05257	1.0
109.02889	2.9
109.06534	0.6
109.10149	0.8
110.07175	1.7
110.22010	0.6
117.06986	0.7
119.04960	0.9
119.08665	0.5
120.08130	0.7
121.02859	2.8
121.06493	1.5
121.10224	0.6
123.04418	1.2
125.05966	0.6
127.03918	2.6
129.10236	0.9
131.04903	1.7
133.02808	0.6
135.04390	1.9
137.05943	0.9
138.26122	0.5
139.03911	0.8
141.25487	0.7
145.06485	1.1
145.10138	0.7
147.04413	2.4
147.07932	0.7
147.11653	0.6
149.06052	1.0
151.03931	2.1
153.01849	0.7
161.06042	1.2
163.03931	2.1
165.05508	0.8
171.04425	0.8
173.05959	1.1
175.03918	3.1
177.05472	1.9
178.05034	0.7
181.04947	2.1
185.06059	0.6
187.03889	1.8
187.07526	0.6
189.05461	1.9
191.03407	0.9
193.05013	3.0
201.05530	1.4
203.03326	0.7
203.06895	0.6
205.04948	4.2
206.04533	2.6
207.04741	1.5
207.06552	3.1
213.05516	1.1
213.09010	1.0
217.04994	4.8
219.06502	0.7
221.04471	1.2
223.05983	1.5
229.04956	1.6
231.06596	2.2
233.04497	0.8
235.05975	4.1
241.04922	1.4
243.06554	1.5
245.08034	0.9
247.05984	4.8
249.11078	0.7
255.06714	0.7
255.13757	0.8
259.06009	6.6
269.66751	0.6
271.05981	4.1
273.07568	1.9
277.06918	1.8
283.05978	1.7
285.07568	0.7
287.05566	4.7
287.08798	1.0
288.05847	6.1
289.06168	7.8
290.06326	4.5
291.06381	2.7
297.07462	1.1
299.09088	1.4
301.06982	2.9
305.07941	0.7
309.07538	0.8
311.09174	1.7
313.07068	2.2
315.15942	1.1
317.10156	0.7
325.07083	2.3
329.10236	3.2
335.09167	1.2
341.10291	4.1
343.08197	1.6
353.10150	6.0
365.10175	3.6
377.10202	2.1
383.11267	6.0
389.10397	0.9
393.09796	1.1
395.11359	7.7
407.11255	6.5
413.12250	2.3
419.11139	5.1
425.12372	2.7
431.13489	10.9
443.13266	3.5
449.12286	5.9
461.12677	3.9
467.13303	2.7
479.13519	5.1
485.14453	2.5
491.13409	1.7
497.14499	4.9
509.14688	2.6
527.15497	1.9
545.16254	1.2
599.23651	0.9
599.33844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22875	1.5
52.18385	1.6
55.05500	7.5
57.07064	4.3
61.19460	1.8
65.03959	3.4
67.05504	15.0
69.07069	9.8
70.48917	4.4
79.05490	6.9
81.06593	2.5
81.07059	39.7
85.06547	8.5
91.05470	5.9
93.07030	7.2
95.08613	12.4
105.06985	2.3
107.08575	6.2
109.10147	6.0
121.10152	15.9
123.11741	2.2
131.04926	4.5
135.11676	1.9
137.13345	2.1
145.64867	1.8
147.04396	7.7
149.13251	5.5
159.04410	7.3
161.97787	1.7
163.03891	4.3
175.03908	100.0
176.04262	5.7
177.05487	6.1
187.03896	29.6
189.05492	8.7
189.77068	1.7
199.03888	7.6
201.05501	3.0
203.03377	6.5
203.06949	2.8
213.05453	4.0
215.07092	4.0
217.08690	3.4
226.06253	7.0
226.41818	1.9
229.08580	30.0
231.10072	7.4
241.08615	27.3
242.08817	2.6
243.10164	22.3
245.08105	3.0
247.09666	71.6
250.25276	2.6
253.08476	2.4
255.10139	4.9
259.09622	12.4
295.13336	13.7
313.14310	32.7
331.15341	21.7
494.78052	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	598.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22875	1.5
52.18385	1.6
55.05500	7.5
57.07064	4.3
61.19460	1.8
65.03959	3.4
67.05504	15.0
69.07069	9.8
70.48917	4.4
79.05490	6.9
81.06593	2.5
81.07059	39.7
85.06547	8.5
91.05470	5.9
93.07030	7.2
95.08613	12.4
105.06985	2.3
107.08575	6.2
109.10147	6.0
121.10152	15.9
123.11741	2.2
131.04926	4.5
135.11676	1.9
137.13345	2.1
145.64867	1.8
147.04396	7.7
149.13251	5.5
159.04410	7.3
161.97787	1.7
163.03891	4.3
175.03908	100.0
176.04262	5.7
177.05487	6.1
187.03896	29.6
189.05492	8.7
189.77068	1.7
199.03888	7.6
201.05501	3.0
203.03377	6.5
203.06949	2.8
213.05453	4.0
215.07092	4.0
217.08690	3.4
226.06253	7.0
226.41818	1.9
229.08580	30.0
231.10072	7.4
241.08615	27.3
242.08817	2.6
243.10164	22.3
245.08105	3.0
247.09666	71.6
250.25276	2.6
253.08476	2.4
255.10139	4.9
259.09622	12.4
295.13336	13.7
313.14310	32.7
331.15341	21.7
494.78052	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	598.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.9
55.01871	2.3
55.05514	5.5
56.05038	4.5
57.03440	2.2
57.07082	1.1
58.06604	2.5
60.04525	100.0
61.02925	1.6
65.03940	0.8
67.05508	10.8
68.05042	1.2
68.99807	0.7
69.03431	11.7
69.07074	4.2
69.37038	5.8
70.02911	0.6
70.06592	7.3
71.05000	2.6
72.04527	2.6
72.08130	1.0
73.02923	1.9
74.06064	3.3
76.02271	0.6
77.03918	0.7
78.69515	0.6
79.05489	7.5
80.05027	1.1
81.03415	12.0
81.07053	15.1
82.06599	2.7
83.04990	2.7
83.08630	2.7
83.91875	0.6
84.04524	1.4
84.08154	1.9
85.02903	18.0
85.06541	1.5
86.06060	3.3
86.09720	1.7
87.00816	4.4
87.04494	0.8
90.05570	1.2
91.05486	4.7
93.07042	7.1
94.06581	2.0
94.31190	0.6
95.04978	2.4
95.08604	11.6
95.09167	0.7
96.04490	0.6
96.08148	1.1
97.02898	7.7
97.06529	3.9
97.10163	1.5
98.06036	1.4
98.20703	1.3
99.04436	3.2
102.05576	1.4
102.91712	0.6
104.07130	1.7
105.01884	2.8
105.03427	1.5
105.07030	4.5
107.08589	5.4
108.08180	0.8
109.02882	10.6
109.06544	1.5
109.10155	6.5
110.07233	0.9
112.07676	0.8
116.07044	0.7
117.01876	0.8
117.07061	1.4
119.04967	2.1
119.08581	3.2
120.08056	1.3
121.02890	2.4
121.06487	1.0
121.10147	4.4
123.04469	1.8
123.08099	1.2
123.11742	1.8
124.03976	0.8
127.03923	13.2
128.07129	1.6
129.01883	1.4
131.08598	2.2
133.02872	3.0
133.06523	0.9
133.10176	2.9
135.04463	1.5
135.11673	4.8
136.07643	2.1
137.06006	1.3
138.05547	0.8
138.09164	0.6
139.11308	0.6
140.07094	1.1
144.05736	0.7
145.04997	1.7
145.10172	1.0
147.04474	2.3
147.11679	1.4
149.13297	1.4
151.03893	4.3
152.07132	1.0
153.12868	0.8
154.08737	1.0
155.08633	0.7
159.03009	2.0
159.08096	0.7
159.11812	0.7
161.13324	0.9
165.05492	1.1
167.07024	0.9
168.06525	0.9
171.08105	0.7
173.96463	0.7
175.03979	2.0
175.07513	0.7
175.11116	1.0
175.14827	0.7
177.05663	0.9
178.05054	2.7
179.14490	0.7
181.04933	0.9
185.09688	0.7
191.08218	1.8
193.83092	0.6
201.09200	1.5
206.04425	3.8
207.06508	4.5
211.07568	1.1
212.16580	0.8
216.10342	0.8
219.10045	0.7
229.08548	3.9
231.05046	1.4
247.09802	2.0
248.23875	1.0
255.13951	2.6
256.14050	3.0
256.22708	0.8
260.23669	2.9
261.22128	0.8
266.24908	1.4
271.06030	0.7
271.13309	1.0
278.24762	10.3
283.06119	1.9
284.06561	1.4
287.05563	0.9
288.05859	1.0
289.14429	0.7
296.25836	10.2
307.13156	0.8
310.11285	1.9
314.07458	1.3
314.26898	10.6
314.30237	0.6
332.27945	44.3
333.28461	0.9
338.07693	0.8
350.13635	1.3
350.29016	53.8
351.29260	0.8
374.29099	1.1
380.08234	0.6
392.30273	2.6
418.19702	1.0
500.32452	0.8
502.12094	0.9
512.34259	1.2
526.30219	1.0
536.34521	1.0
544.31342	1.2
554.35687	3.5
562.31738	1.1
580.33038	5.0
598.34424	63.8
599.35126	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3034
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
55.05516	12.2
57.03434	7.4
57.07067	2.4
67.05176	2.2
67.05505	24.0
69.06798	1.4
69.07078	15.7
79.05496	9.1
81.03423	10.2
81.07054	26.7
83.04971	2.0
83.08624	7.3
85.02899	2.9
91.05505	6.1
93.07066	8.7
95.04977	1.3
95.08617	22.4
97.06527	1.9
97.10159	3.0
98.21515	3.4
98.98463	24.7
105.07024	3.1
107.08610	5.1
109.02869	7.7
109.10144	7.7
119.08564	4.5
121.10123	3.6
123.11697	3.2
127.03944	2.4
133.10120	3.2
135.11684	1.7
147.11644	1.5
148.69571	1.3
149.13293	2.3
155.01019	4.1
173.02248	1.7
182.19940	1.3
218.89262	1.2
245.22546	1.7
261.03806	7.7
263.23840	1.6
335.07495	3.2
337.27371	100.0
338.27710	2.4
471.01810	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1818
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.01863	5.9
66.59727	5.6
69.81773	17.4
69.82177	11.2
70.06592	6.5
70.23746	5.0
71.04980	7.5
81.03436	8.1
85.02914	37.7
91.05467	6.9
91.81906	4.9
93.03397	14.5
95.04999	6.6
97.02879	13.8
98.21498	7.6
107.04940	23.8
109.02850	10.4
111.04441	5.5
119.04908	7.3
121.02831	29.8
123.04432	10.6
127.03938	7.0
135.04401	19.3
137.05949	5.9
139.03841	7.9
147.04416	22.6
147.83069	6.1
151.03897	8.5
153.01846	8.4
165.01782	7.0
168.49835	5.1
173.02200	5.8
173.05951	8.5
177.01825	18.7
177.05559	12.0
187.03918	7.1
187.58403	5.6
189.01837	24.0
191.03366	18.5
195.02925	34.0
201.05486	16.1
203.03433	13.9
205.41412	5.9
207.02853	48.8
215.03363	17.1
219.02875	89.4
223.02316	15.1
225.03934	20.1
229.04918	15.4
231.02902	50.2
233.04494	17.0
237.03940	19.6
243.02924	29.0
243.06557	5.5
245.04373	10.9
249.03908	14.1
255.02890	7.0
257.04440	15.1
259.02319	7.9
261.03949	100.0
271.05872	11.9
273.03992	32.2
281.04294	5.2
285.04092	40.5
285.07300	7.9
287.05533	14.9
288.05923	10.6
289.05939	9.0
291.05026	17.6
295.06335	8.4
297.03833	12.0
297.07336	15.0
299.05505	12.5
303.05099	29.7
309.07266	8.3
315.04907	11.6
321.06046	14.5
327.04913	37.5
327.08533	24.6
339.07687	42.5
345.06100	13.7
351.08463	23.3
357.05890	10.3
363.07162	31.1
381.09592	29.4
387.07269	10.0
393.09225	21.6
405.08221	36.4
411.10504	21.4
417.09897	5.6
423.09720	21.3
429.11707	36.3
441.11002	41.6
447.10727	31.3
459.12509	26.2
465.11377	11.7
477.11447	7.5
483.12909	15.2
495.12473	12.4
507.12689	7.0
525.13629	10.7
543.14581	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96070	1.3
55.05502	12.8
57.07060	3.5
58.06600	45.2
60.04526	1.5
62.59998	1.4
65.57200	1.3
67.05486	4.9
69.07064	1.5
70.73705	3.7
70.74075	1.3
72.59541	1.4
78.57714	1.6
79.05474	4.1
81.07047	5.0
83.04979	100.0
83.08626	1.4
91.05457	5.9
93.07057	6.7
95.08614	7.3
100.07609	9.4
105.07021	4.3
105.62785	1.4
107.08629	9.5
109.10156	4.0
112.63956	1.3
117.07002	3.3
119.06213	1.3
119.08575	10.2
121.10147	5.9
123.08073	1.9
123.11683	2.6
129.06927	2.0
131.08549	6.6
133.10150	7.8
135.08025	2.8
135.11664	7.6
143.08516	3.3
145.10109	8.7
147.11650	3.5
155.08540	2.8
157.10159	4.0
159.11670	4.3
161.13246	2.4
163.11252	2.1
169.10085	2.0
171.11707	3.8
173.13298	5.0
175.14842	3.5
181.10086	1.8
183.11705	4.5
185.13226	3.5
187.14801	3.4
197.13365	2.4
199.14902	3.1
201.16418	2.7
211.15007	1.6
215.14360	4.2
249.16493	1.6
257.10324	1.5
270.51785	1.5
319.24179	5.1
337.25635	1.8
417.31503	4.5
435.32394	3.9
450.78027	1.7
501.30469	1.7
537.39355	42.7
538.39655	2.1
596.43042	86.5
597.43561	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	596.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	15.3
67.05500	59.7
67.52547	5.6
69.07056	12.3
69.22040	48.7
69.22460	17.3
71.04971	23.9
79.05488	34.0
81.07047	100.0
85.06506	6.9
86.20770	7.0
88.07609	6.0
91.05462	24.8
93.07024	38.7
95.08609	29.3
105.07024	17.9
107.08589	23.5
109.10149	19.6
111.53320	6.8
119.08568	10.2
121.10159	14.9
123.11725	11.7
131.08554	13.1
133.10141	10.4
149.13214	5.7
151.11194	8.4
153.42769	6.4
153.85017	5.9
187.13309	9.6
263.55472	6.4
301.19934	11.2
335.25583	31.5
503.37228	92.1
529.38531	12.5
561.41125	32.5
596.47876	10.3
596.59467	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	8.3
65.56094	7.8
67.05486	20.0
69.07066	18.2
70.27627	24.6
79.05465	9.3
81.07079	36.1
89.94179	7.6
93.07000	12.4
95.08604	9.3
101.78404	6.9
109.10126	8.8
121.10184	7.3
175.03902	100.0
177.05542	8.6
187.03870	27.3
187.23065	7.0
189.05476	10.5
199.03909	8.8
201.05458	9.7
226.06215	8.9
229.08572	38.4
231.10056	9.1
234.67950	7.7
241.08627	27.3
243.10185	20.7
247.09660	45.3
259.09433	11.0
263.54327	7.1
295.13327	9.0
313.14359	28.8
331.15247	9.3
446.03656	7.2
510.58337	8.9
596.28448	14.4
596.59631	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	596.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
55.01876	2.0
55.05513	2.9
56.05040	4.1
57.03444	1.8
58.06633	0.8
60.04529	100.0
61.02930	1.3
61.43499	0.6
62.98311	0.6
65.03975	0.8
67.05173	1.3
67.05508	13.1
68.05045	0.7
68.99818	1.2
69.03432	9.3
69.07080	2.7
70.06609	3.3
70.84359	1.5
71.05003	2.4
72.04525	2.7
73.02926	1.1
74.06097	3.6
79.05492	9.2
79.58367	0.6
80.05036	1.2
81.03422	9.4
81.07059	13.4
81.21880	0.7
82.06595	2.5
83.04996	1.6
83.07377	2.4
83.08635	1.6
84.04525	1.5
85.02908	16.2
85.06560	2.1
86.06075	2.4
86.09718	0.7
87.00846	4.5
90.05590	1.4
91.05479	7.8
93.07053	9.0
94.06590	2.5
94.32993	0.7
95.04981	2.0
95.08600	12.1
96.08128	1.5
97.02886	4.9
97.06557	1.0
97.10210	0.9
98.06075	1.6
99.04471	2.6
99.08107	1.3
100.07673	1.2
102.05569	1.3
104.07110	3.1
105.01893	2.6
105.03410	1.0
105.07027	6.8
106.06541	0.7
107.04953	1.8
107.08599	4.6
109.02885	7.3
109.06513	0.8
109.10140	4.9
110.06052	0.9
112.07618	1.1
115.03944	0.7
116.07106	1.6
117.07032	2.9
119.04979	1.3
119.08635	3.4
120.08119	0.7
121.02857	1.4
121.10129	4.3
122.06065	1.0
123.11737	1.4
124.11317	1.0
126.09081	0.7
127.03929	8.6
128.07112	1.3
129.07014	1.2
131.07607	0.7
131.08543	3.2
133.02928	0.9
133.10144	4.2
135.04483	1.4
135.11711	3.8
143.08559	0.8
145.04990	2.7
145.10155	2.6
146.27261	0.8
147.08063	0.8
147.11731	2.6
148.11198	1.0
149.13277	1.5
153.01857	4.4
154.02214	1.1
157.10150	1.4
159.02899	1.6
159.11732	2.0
161.13290	0.9
171.02881	1.0
171.11723	1.3
173.13263	1.0
175.03891	0.7
185.13240	0.8
199.14919	0.7
203.09656	0.7
207.06607	1.2
218.96651	0.8
231.05031	0.8
255.13841	1.1
259.20764	0.9
271.03076	1.3
271.06027	27.6
272.06357	33.0
273.06644	2.7
276.23203	3.6
287.05511	36.7
288.05865	42.9
289.05893	3.1
292.10269	0.9
294.24313	4.9
310.11295	1.6
312.25302	8.4
330.26382	44.9
331.26749	2.4
348.27460	58.2
349.27814	2.1
371.44247	0.8
372.27493	1.3
390.28552	1.5
434.11743	1.5
446.17874	0.8
464.19196	1.5
492.18457	1.4
498.30591	0.8
510.20517	1.5
510.32645	1.3
534.32806	1.0
542.29327	1.3
552.33960	4.6
560.30988	0.9
578.31671	7.3
596.25574	2.9
596.32782	71.1
597.33136	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	596.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30967	1.2
53.03952	1.5
55.01873	1.3
55.05502	4.6
65.03934	2.5
67.05511	7.9
69.03417	2.6
69.07064	8.8
70.06599	2.0
70.34286	2.3
70.34676	3.2
71.04980	1.5
79.05492	2.6
81.03410	3.1
81.07036	2.5
85.02924	4.9
85.06534	2.5
86.09715	1.3
87.00823	1.5
91.05473	4.5
93.07033	1.8
95.04964	1.7
95.08579	2.8
97.02888	2.8
98.21434	1.2
103.05489	1.5
105.01881	1.1
105.07021	1.5
107.04961	1.5
107.08609	1.7
109.02882	3.8
109.10155	2.2
111.11713	2.0
119.04947	1.6
121.10159	5.1
127.03901	3.8
129.06937	1.1
131.04929	4.7
141.06999	1.5
143.04922	1.2
147.04391	7.6
151.03899	1.1
157.10025	1.2
159.04428	8.3
159.08087	1.6
162.05458	7.5
163.03857	5.7
167.07068	3.0
171.08098	1.0
173.05942	1.4
173.09569	1.0
175.03906	100.0
176.04329	2.2
185.06042	1.6
187.03905	54.3
187.07558	2.0
189.05470	6.0
195.08018	1.1
198.06796	1.2
199.03880	10.0
199.07521	1.9
201.05411	5.7
201.09042	1.7
203.03418	7.4
203.07043	4.1
207.06502	2.7
213.05455	6.0
213.09125	3.6
215.07039	1.5
217.08591	3.1
219.06581	1.3
223.07571	2.3
226.06253	15.0
227.06966	2.7
228.06256	8.9
229.08601	30.3
239.07033	1.4
241.08588	48.7
243.10173	26.2
245.08023	1.3
247.09653	30.6
250.42482	1.2
253.08575	5.0
255.10178	15.3
255.13040	1.6
255.13794	1.5
259.09583	2.6
269.11826	2.0
271.09668	1.7
271.52655	1.2
272.06506	1.2
287.05508	1.2
295.13297	27.7
313.14325	69.8
314.14682	2.2
316.03461	1.0
331.15387	25.3
413.16095	1.1
424.82339	1.1
587.35535	1.3
596.21771	2.6
596.36469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.05508	9.5
57.03244	0.9
57.03444	9.6
60.51568	1.1
63.08758	1.1
67.05504	35.0
69.07074	7.8
69.43321	7.0
69.43726	2.0
69.43922	1.3
71.04991	1.3
71.29192	1.2
72.96471	1.3
74.06332	1.2
79.05498	18.4
81.02984	1.7
81.03413	10.4
81.06590	2.4
81.07051	29.7
83.04977	1.1
83.08617	3.9
85.02890	2.0
91.05478	10.5
93.07034	20.5
95.04949	1.4
95.08601	24.0
97.10188	1.9
98.98465	31.6
103.53754	1.1
105.07056	7.1
107.08587	8.9
109.02873	8.1
109.10145	11.3
117.07014	1.6
119.08586	5.4
121.10143	8.9
123.11695	3.4
127.03936	1.5
131.08559	5.1
133.10121	3.8
135.11693	4.6
147.11655	1.6
149.13252	2.7
159.11734	1.9
161.13260	2.8
163.05988	2.9
163.14670	1.5
173.02145	1.4
173.13216	2.4
243.21169	2.5
261.03778	8.8
261.22104	4.5
287.05392	2.9
287.15933	1.4
302.16489	1.3
317.24872	2.7
335.07452	2.3
335.25775	100.0
336.26089	2.6
423.27289	1.9
459.24109	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2018
Annotation	Acinoside
Peak:m/z	Relative Intensity
53.03933	1.5
53.10159	1.5
57.03437	7.0
57.66071	1.3
67.01874	2.4
68.99792	1.7
69.03420	6.2
70.03524	4.1
71.04992	42.7
75.04466	1.8
79.05501	1.4
81.03400	2.7
83.04972	1.8
85.02385	2.3
85.02905	46.5
91.05458	1.6
95.04965	1.4
97.02892	3.0
105.07089	1.6
107.04964	2.2
109.02829	1.7
109.06549	1.3
111.04411	1.6
121.06503	2.1
127.03924	2.2
129.05475	14.4
133.06454	6.2
135.04428	6.0
137.05945	1.3
147.06526	3.1
153.01823	61.1
158.23973	1.2
161.05969	26.5
163.03951	1.5
165.01831	7.6
167.06982	1.2
171.02887	12.3
175.03975	1.6
177.01791	1.4
179.03427	2.2
183.02921	2.9
191.03365	5.3
195.02873	30.7
203.03380	3.5
203.51636	1.4
207.06468	1.8
217.05063	2.1
219.02902	8.6
221.04411	2.0
242.05713	3.8
243.06073	2.1
245.04547	8.7
261.04028	1.8
263.05460	13.7
270.05267	2.9
271.05762	2.9
281.06555	6.6
285.07523	16.3
286.07944	15.2
287.09125	100.0
299.09085	3.0
311.09219	3.3
329.10300	7.0
353.10223	6.3
379.11774	3.5
397.12854	7.6
415.13693	4.1
433.14865	2.8
449.14810	1.8
548.99316	1.3
614.61096	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2021
Annotation	Poncirin
Peak:m/z	Relative Intensity
53.03942	1.4
55.01864	1.7
57.03436	10.6
67.01835	1.4
68.99781	1.1
69.03434	9.6
71.04993	51.9
73.02911	1.3
75.04476	2.7
81.03445	2.3
81.07038	1.3
83.04971	2.6
85.02908	65.9
87.04462	1.5
88.71346	1.2
91.05486	1.7
95.04997	2.5
97.02880	3.3
98.20741	2.5
105.07056	1.4
107.04931	2.0
109.02867	2.7
111.04456	4.0
119.04918	2.0
121.02872	2.9
121.06514	2.5
123.04450	2.1
125.02362	1.6
127.03920	2.9
129.05482	13.3
133.06497	7.3
135.04437	6.5
135.08025	3.9
137.06012	2.0
138.88815	1.1
147.04411	2.1
147.06487	3.8
149.02322	1.7
151.03902	1.3
153.01831	56.7
158.11931	1.1
159.04367	1.2
161.05989	32.0
163.03853	2.0
165.01840	14.1
167.06996	1.4
171.02908	12.5
171.04282	2.0
175.03903	2.2
177.01857	6.6
177.05420	1.2
179.03384	2.9
183.02875	6.7
189.01761	1.9
191.03394	7.5
195.02904	59.2
200.10669	2.3
203.03365	4.3
207.02922	2.6
207.06471	2.7
209.04532	1.2
213.03752	1.7
217.05028	2.3
219.02905	19.9
221.04480	2.2
228.06609	5.3
231.02917	7.2
237.03902	2.3
243.02802	1.6
245.04427	8.2
249.03915	3.4
261.03873	8.5
263.05515	16.2
271.05887	1.5
279.04932	2.9
281.06516	4.1
285.07568	5.2
286.07932	5.0
287.09137	100.0
288.09366	1.7
297.06003	2.5
299.09256	9.3
303.37854	1.4
311.09164	7.2
329.06619	2.1
329.10233	16.4
353.10135	15.1
365.10056	3.0
379.11792	2.0
383.11273	2.8
395.11118	4.3
397.12842	8.7
407.09866	2.2
413.12088	5.3
415.13760	2.5
431.13547	7.0
433.15033	3.2
449.14401	4.2
595.36749	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
54.83714	0.1
66.37364	0.1
67.01871	0.6
68.99821	0.3
69.03437	0.2
70.47735	0.4
71.04988	0.4
77.01333	0.1
85.02901	1.4
89.03953	0.2
89.29520	0.1
97.02898	0.2
102.46284	0.1
109.29109	0.1
111.04475	0.2
117.03383	0.1
119.04938	0.3
126.52270	0.1
127.03852	0.2
129.05521	0.2
135.04420	1.4
137.02354	0.5
153.01820	4.3
161.02328	0.4
163.03889	0.1
171.02907	0.5
178.99324	0.1
179.03442	0.2
181.57698	0.1
189.05634	0.1
203.03355	0.1
207.88803	0.1
213.05518	0.1
241.05013	0.6
263.05170	0.1
269.04425	0.3
271.06012	16.7
272.06320	0.4
283.06128	0.2
287.05493	100.0
288.05789	1.6
313.07071	0.4
320.25873	0.1
337.06900	0.2
343.08167	0.3
415.10770	0.2
427.09109	0.1
433.11365	0.3
449.11014	0.6
463.12189	0.2
544.49292	0.1
559.60950	0.1
595.16260	0.5
604.38232	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	595.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	2.7
61.02923	3.3
69.79543	2.1
70.33273	5.7
73.02916	1.6
77.45692	1.5
78.68834	1.5
79.85379	1.4
80.72610	1.6
85.02908	9.2
91.05467	1.8
97.02893	2.0
98.97534	2.6
103.03918	3.2
105.03407	1.7
107.04966	2.6
109.02895	2.9
111.04397	2.0
119.04925	9.0
121.02860	40.2
145.02853	6.4
147.04413	3.3
148.07721	1.6
161.06026	2.1
163.03931	2.4
173.02527	2.2
175.03842	2.0
177.01872	2.5
179.03391	3.2
187.03932	2.7
189.01756	8.4
191.03380	7.8
195.02841	7.0
199.03870	1.8
201.43210	1.8
203.03365	9.0
205.04761	2.4
207.02902	8.2
215.03432	3.3
217.04950	4.3
219.02919	4.6
221.04506	2.8
227.03340	1.8
229.04922	3.5
243.02881	1.8
248.70995	1.6
251.06995	2.2
255.02945	3.3
257.04431	3.7
268.07303	4.7
271.05994	27.4
279.06534	6.4
281.08032	5.6
283.05988	6.7
285.03986	2.1
287.05511	2.7
291.06491	3.0
293.08115	4.4
294.05231	22.8
294.08380	3.1
295.06000	82.4
296.06561	8.1
297.07584	8.8
304.07233	2.0
307.05972	55.3
307.09482	2.7
308.06717	17.8
309.07626	12.9
313.07141	5.5
319.05841	6.7
319.09210	2.1
320.06763	5.5
321.07550	30.0
322.08374	10.6
323.05746	3.1
323.09085	5.2
325.07050	90.0
326.07428	3.1
329.08148	1.9
333.07504	9.7
335.05551	2.4
335.09094	17.2
337.07028	59.4
339.08600	4.1
345.07739	3.4
347.09247	10.1
349.07028	32.7
350.07745	2.4
351.08575	22.0
355.08124	21.3
361.07004	17.5
361.10837	2.8
363.08548	8.4
365.10211	13.1
367.08063	5.9
371.08936	2.3
373.06961	7.8
375.08530	14.2
379.08102	61.8
385.07080	4.2
389.10080	5.3
391.08066	31.7
392.08557	1.8
399.08316	3.1
401.10278	2.0
403.07983	22.7
405.09708	1.9
409.09174	50.9
415.08426	3.7
417.09470	2.7
421.09171	29.7
427.10233	41.2
433.10699	5.3
439.10168	29.4
445.09705	6.2
457.11273	100.0
458.11624	3.1
463.10095	5.9
475.12366	17.5
481.11307	32.1
487.09943	5.0
493.11014	4.9
499.12344	24.1
505.11493	8.3
511.12326	26.0
523.12317	24.9
529.13135	7.4
541.13446	27.2
559.14294	25.7
577.15601	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	595.1655
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
55.65839	0.1
57.03439	0.6
64.85292	0.1
66.54795	0.1
67.01849	0.4
68.99796	0.3
70.06587	0.2
70.41769	0.4
70.42163	0.3
71.04996	2.9
72.67539	0.1
75.04460	0.3
78.60857	0.1
85.02910	3.9
87.04472	0.2
89.03922	0.2
98.21457	0.2
109.02859	0.1
111.04447	0.2
121.02896	0.2
129.05496	0.9
135.04414	1.2
137.02350	0.4
147.06529	0.2
153.01830	3.9
153.03015	0.3
161.02383	0.5
171.02859	0.4
175.03835	0.2
175.40794	0.1
179.03279	0.2
203.03358	0.1
241.04901	0.4
254.18044	0.1
258.22440	0.1
263.05386	0.2
269.04495	0.3
271.06091	0.3
283.05984	0.5
287.05496	100.0
288.05798	2.0
295.05981	0.2
309.07681	0.2
313.07089	1.2
337.07120	0.3
343.08163	0.4
379.07986	0.3
397.09097	0.3
415.10248	0.2
433.11325	0.6
449.10812	12.9
450.11057	0.4
457.11578	0.1
463.12372	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	Datiscin
Peak:m/z	Relative Intensity
50.45195	0.2
50.60517	0.2
53.03936	0.5
54.12484	0.2
55.01860	0.3
55.05490	0.4
55.84269	0.2
57.03189	0.2
57.03437	1.9
61.02908	0.7
68.99796	0.3
69.03426	1.5
69.42204	1.7
71.04992	11.2
73.02904	0.6
73.88139	0.2
75.04472	0.4
81.03399	0.8
83.04968	0.5
85.02904	16.0
87.04433	0.2
90.88184	0.2
97.02894	1.1
98.21559	0.4
99.04443	0.3
105.03406	0.4
107.04948	0.2
109.02845	0.5
111.00780	0.8
111.04424	0.4
121.02875	1.8
122.03352	0.2
127.03880	0.8
129.05479	2.8
130.49319	0.2
133.02824	0.5
137.02306	0.8
145.04939	0.7
147.04375	0.4
147.06494	0.9
153.01825	2.9
157.06419	0.3
165.01857	1.7
171.04489	0.3
183.02884	1.0
185.05978	0.5
213.05457	1.3
231.06535	0.7
241.04967	0.8
258.05276	1.1
259.06079	0.3
269.04355	0.3
271.06046	0.3
287.05493	100.0
288.05865	1.9
329.06494	0.4
333.86053	0.2
400.89172	0.2
436.26538	0.2
449.10837	0.5
450.01080	0.2
561.03009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	2'-Hydroxydaidzein 7,4'-di-O-glucoside
Peak:m/z	Relative Intensity
50.25433	0.6
53.03942	1.0
54.23940	0.7
55.01885	0.8
61.02922	1.3
67.95352	0.7
69.03434	4.9
70.32853	2.4
75.34961	0.6
81.03400	3.0
85.02904	14.0
91.05434	0.8
95.78044	0.7
97.02869	3.8
99.04446	1.0
107.01278	0.8
109.02877	2.1
119.04940	3.4
121.02864	11.4
127.03950	1.9
145.02856	2.5
145.04939	2.0
149.02371	0.8
153.01839	1.3
160.62929	0.8
163.03922	2.2
165.01823	6.7
167.03360	2.2
177.01857	1.5
179.03406	0.7
183.02930	1.7
187.03819	1.1
191.03316	0.9
195.02940	5.4
195.16171	0.9
213.05438	1.5
217.04927	1.6
227.06946	0.7
243.02885	1.5
243.06555	1.8
255.06573	3.7
256.07312	3.9
259.06039	1.0
261.03922	1.4
267.06491	6.2
270.05121	1.9
271.03061	1.6
271.05994	29.9
279.06476	1.4
281.08173	4.6
283.06006	64.1
284.06766	28.9
285.07550	2.9
295.06036	20.8
295.09390	1.5
297.07584	10.7
302.53979	0.8
305.07971	0.9
307.05948	1.9
308.06827	1.5
309.04071	1.4
309.07535	13.7
311.05588	1.8
313.07050	100.0
314.07355	1.9
321.07724	1.6
323.05521	1.4
323.09073	10.4
325.07007	2.5
333.07626	1.4
337.07037	25.8
343.08261	1.7
349.07074	3.6
351.08646	4.2
355.07959	1.2
361.06967	3.0
367.08124	11.9
379.08075	9.0
397.09207	18.6
415.04834	1.5
415.10208	22.0
433.11307	65.7
434.11530	1.2
475.12372	4.2
595.16351	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	595.1653
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
57.03440	2.4
61.02911	1.4
65.03961	2.2
69.72646	10.7
75.87304	1.9
81.03423	2.6
81.51270	1.5
83.25464	1.5
85.02894	6.5
91.05464	2.5
93.03461	1.9
98.21400	3.4
103.03970	3.4
109.02911	2.6
116.05152	1.6
119.04955	9.5
121.02872	33.7
121.03745	3.0
122.48421	1.7
135.04414	1.6
139.03886	2.1
142.90466	1.7
145.02896	4.1
163.03961	2.5
165.01894	1.9
173.02348	1.9
177.01831	3.4
177.05499	2.3
179.03395	4.3
181.05026	2.2
187.03941	3.7
189.01846	9.7
191.03386	4.7
195.02931	8.2
197.04335	2.3
201.01900	1.8
201.05400	2.8
203.03395	13.5
205.04913	2.4
207.02864	11.4
215.03339	4.4
217.04947	3.8
219.02896	6.5
221.04411	2.9
227.03462	2.9
229.04921	5.8
231.02997	1.9
233.04456	3.1
243.02824	2.9
247.05960	2.2
255.02739	3.0
255.06584	2.1
257.04517	2.2
260.94644	2.0
261.03857	2.2
267.06573	4.1
268.07367	5.1
269.04565	2.1
279.06546	5.6
280.07089	1.8
281.08142	5.0
283.05957	9.2
285.03699	2.6
293.08160	5.4
294.05273	24.3
294.08633	2.6
295.06018	82.4
295.09320	3.9
296.06781	9.9
297.07681	12.6
306.73502	1.9
307.06000	54.2
308.06702	19.6
309.07611	14.2
313.07159	4.4
319.05923	7.4
319.09451	3.3
320.06793	4.9
321.07584	28.2
322.08356	16.0
323.05493	3.9
323.09137	4.8
325.07040	97.7
333.07520	8.5
335.05618	2.3
335.09207	15.5
336.06281	3.4
336.09958	2.2
337.07059	58.9
337.11099	2.9
339.08853	3.4
345.07697	6.2
346.08606	1.9
347.09097	11.7
349.07068	30.8
349.10907	3.1
351.04782	3.0
351.08676	27.0
355.08218	21.8
361.07031	20.1
361.10867	2.3
363.08603	6.3
365.10181	14.5
367.08206	4.2
373.06912	8.0
375.08640	11.2
377.06665	1.9
379.08124	56.4
385.07199	4.1
387.09003	2.7
389.10022	5.2
391.08084	34.4
393.09509	2.6
401.10281	2.1
403.08148	21.2
405.09665	2.0
407.17593	1.8
409.09192	46.1
415.09518	2.8
417.09601	2.5
421.09213	27.6
427.10303	49.2
433.09457	2.8
439.10245	35.8
445.10309	3.7
457.11307	100.0
463.10196	6.8
475.12433	19.9
481.11322	25.2
487.10318	4.0
493.11157	4.5
499.12427	22.5
505.11932	7.8
511.12320	29.0
523.12402	29.9
529.13300	9.9
541.13477	31.0
559.14514	25.8
577.15216	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	595.1653
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.01863	0.2
55.05499	0.2
57.03421	0.4
58.06596	0.2
65.66631	0.2
67.05508	0.3
68.99786	0.3
69.03416	0.7
69.69321	0.9
70.06582	0.7
71.04992	2.3
72.08141	0.2
73.02916	0.3
75.04458	0.3
78.69447	0.2
79.05474	0.4
81.03429	0.9
83.04968	0.3
83.21925	0.2
84.04478	0.2
84.08150	0.2
85.02903	4.8
85.06532	0.2
86.09689	0.3
91.05468	0.7
93.07060	0.3
93.37520	0.2
94.40881	0.2
95.01276	0.2
95.04994	0.2
97.02885	0.6
97.06532	0.2
105.06974	0.2
107.04959	0.3
107.08617	0.3
109.02849	0.5
110.07230	0.2
111.00833	0.2
111.04408	0.3
117.06970	0.2
119.04918	2.1
121.02858	2.2
123.00791	1.7
125.09653	0.2
127.03909	0.7
129.05464	0.7
133.02803	0.2
133.10052	0.2
133.99968	0.2
135.04381	0.4
137.02339	0.2
145.02820	0.4
145.05005	0.2
147.04373	0.3
147.06500	0.2
153.01840	1.6
157.06470	0.3
163.03899	0.3
165.01883	0.3
167.06970	0.2
169.01324	1.6
175.03922	0.4
181.04973	0.2
183.02892	0.3
185.05980	0.2
187.02208	0.2
188.85425	0.2
195.02858	0.2
207.06555	0.6
213.05426	0.6
217.04984	0.2
231.06613	0.4
241.04968	0.7
245.04320	0.2
255.06538	0.3
256.07370	0.3
258.05228	0.3
259.06030	0.6
267.06506	0.2
269.04456	1.3
270.05176	0.3
271.06006	5.4
271.13324	0.3
272.06152	0.2
277.01285	0.2
283.05981	2.9
284.06824	2.0
285.07584	0.4
287.05490	100.0
288.05817	1.8
295.06085	1.4
297.07654	0.6
301.07150	0.5
307.06015	0.2
308.06738	0.2
309.07523	0.5
313.07062	9.4
323.09146	0.6
325.07126	0.5
329.06635	0.2
330.03558	0.2
337.07016	1.9
343.07962	0.2
351.08490	0.3
367.08087	0.4
379.08078	0.7
397.09067	1.2
415.10233	1.9
433.11255	4.2
449.10831	1.3
457.10901	0.2
475.12207	0.7
541.12549	0.2
595.16425	2.0
595.24786	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29344	2.2
55.01863	6.1
55.05506	16.6
57.03427	9.1
67.05499	28.6
69.03414	4.3
69.07060	8.4
70.06593	4.6
71.04993	5.1
71.53364	3.7
79.05501	29.4
81.03414	55.9
81.07063	27.8
83.04961	6.9
83.08620	17.6
85.02908	5.6
85.06538	4.6
88.94511	2.5
91.05457	23.6
93.07042	21.6
95.04961	23.7
95.08615	14.7
97.02887	3.9
97.06548	3.8
97.10170	19.2
105.03374	3.4
105.07015	17.0
107.04944	19.9
107.08599	13.0
108.90385	2.4
109.02878	4.4
109.06525	11.7
109.10144	8.9
111.08071	6.8
117.06989	7.2
119.08600	17.8
121.02915	3.9
121.06532	11.7
121.10149	13.7
123.04438	3.6
123.08034	2.9
123.11751	2.6
125.09648	15.3
125.10453	2.6
128.93216	2.7
129.07005	7.8
131.08511	12.9
133.06488	7.0
133.10106	7.1
135.08054	3.4
135.11688	2.8
143.08537	5.6
145.06488	6.6
145.10121	4.5
147.08064	3.1
147.11682	10.3
149.09608	9.0
153.09183	3.4
157.10115	7.6
159.11758	3.3
161.09633	4.6
163.11174	5.8
165.12785	3.5
169.10155	3.7
171.11633	3.7
173.09636	3.6
175.11197	10.2
189.11250	6.7
191.14388	2.7
193.12207	14.7
195.11656	2.7
219.13712	3.6
227.12769	6.0
231.13850	3.4
233.15297	3.9
257.15250	3.1
257.66949	2.8
267.15909	44.5
271.05850	5.7
273.14728	5.9
275.25851	2.4
285.07407	16.2
286.07883	16.1
287.05457	21.9
295.06042	4.8
313.06992	4.9
349.21512	5.5
367.22607	17.5
379.08258	3.3
385.23746	32.9
403.24680	11.2
441.26190	9.3
449.16724	3.9
457.11197	3.4
459.27414	100.0
477.28455	68.4
481.11035	2.7
491.29999	11.7
509.31012	6.7
535.42114	3.6
594.17719	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	593.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.3
55.01855	4.8
55.05498	16.1
57.03436	3.6
57.07061	6.9
58.21892	3.9
59.04975	5.4
67.05511	27.5
69.03418	17.2
69.07075	21.1
70.36127	15.7
71.04980	5.6
79.05512	27.9
81.03413	5.0
81.07055	45.9
82.25809	3.4
83.04980	9.1
83.08614	8.9
85.02904	4.0
85.06536	4.3
91.05480	35.6
93.07048	51.8
95.04950	16.6
95.08055	6.0
95.08614	72.7
97.06548	7.6
97.10184	5.0
97.54939	3.5
98.98466	6.4
105.03389	46.6
105.07034	57.2
107.08604	71.4
109.06515	12.9
109.10171	47.3
117.06996	16.6
119.08581	65.0
121.06509	7.8
121.10159	84.3
123.08035	9.0
123.11721	26.0
125.00002	12.5
128.06190	5.3
129.07025	8.1
130.07814	3.5
131.08568	33.6
133.06512	5.5
133.10138	60.9
134.09630	7.8
135.08061	14.7
135.11684	31.3
137.09637	5.3
137.13246	8.2
141.07054	4.6
142.07764	4.0
143.08583	28.3
144.08128	5.4
145.08376	3.7
145.10127	49.4
147.08000	5.1
147.11714	38.2
149.09618	8.5
149.13326	17.4
155.08540	10.8
156.09273	4.7
157.10146	29.5
158.10938	4.7
159.08069	5.3
159.11700	48.6
160.11214	57.4
161.09596	16.6
161.11639	28.3
161.13065	20.1
163.11154	6.6
163.14813	7.3
165.12764	4.8
169.10150	13.2
171.11717	25.6
171.12946	3.9
173.09624	16.1
173.13286	30.7
175.11220	14.2
175.14819	15.2
177.12740	13.6
178.12343	5.6
179.14313	4.8
181.10165	6.4
183.11674	15.4
185.13290	23.9
187.14799	27.6
189.16400	17.9
191.17961	6.4
193.10046	4.0
195.11682	9.5
197.13354	22.3
199.14850	30.2
200.15619	18.9
201.12750	8.7
201.16388	32.0
203.14313	10.9
203.18002	7.8
205.15817	10.3
207.11572	3.9
209.13319	6.8
211.14751	11.0
213.16373	16.2
215.14355	5.5
215.17982	27.4
217.15869	9.2
223.14774	12.0
225.12605	6.2
225.16402	12.6
227.14319	13.9
227.17960	10.6
229.15855	5.6
229.19539	9.2
231.17511	5.9
235.14830	6.8
237.16266	6.1
239.17934	8.4
241.15872	8.2
241.19594	6.2
245.15446	8.6
249.16388	8.1
251.17944	5.4
253.19461	7.7
255.21289	4.9
257.19022	4.0
258.08914	63.2
259.09232	39.1
267.17551	5.7
285.07571	22.3
285.18442	7.1
295.24207	16.0
311.23529	6.8
313.25153	12.5
319.24146	7.0
321.25873	7.5
323.23776	5.0
333.25635	6.6
337.25116	7.8
339.26944	5.4
353.28387	5.4
363.26849	100.0
377.28363	4.9
381.27866	94.7
395.29620	17.7
407.33139	4.3
417.31677	5.9
435.33218	28.5
453.33685	30.7
471.34491	14.6
485.30505	42.3
503.31509	43.3
535.34393	7.9
557.36053	11.2
575.37543	30.4
593.38849	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.9
55.05502	22.5
57.07053	7.3
58.41787	4.2
59.04991	10.0
65.03900	4.6
67.02357	4.1
67.05508	34.8
69.03438	24.8
69.07076	26.9
69.24175	4.2
71.04990	4.4
71.53296	5.7
79.05481	32.6
81.03387	7.4
81.07056	44.5
83.04955	7.4
83.08611	14.2
91.05473	41.8
93.07048	58.0
94.97688	4.9
95.04965	21.4
95.08608	71.1
97.06508	12.6
105.03399	61.6
105.07035	67.2
107.08595	79.2
109.06512	14.4
109.10159	56.3
111.08089	5.6
115.05450	5.8
117.06984	18.8
117.07758	4.6
119.08585	89.5
121.06491	9.0
121.10149	98.4
123.08076	18.5
123.11703	27.0
126.72332	4.5
127.17084	4.5
128.06178	5.8
129.07027	10.2
130.07755	6.1
131.08568	47.0
133.10121	67.5
135.08023	16.2
135.11693	49.9
137.09596	7.0
137.13242	13.6
141.06978	6.6
142.07816	8.6
143.08568	29.8
145.10130	62.4
147.08015	8.7
147.11697	40.2
149.09595	12.6
149.13216	17.3
151.11031	10.4
155.08536	15.3
156.09331	6.3
157.10118	30.0
159.08072	6.6
159.11690	63.5
161.09612	17.5
161.13284	23.3
163.11168	10.4
163.14819	13.6
169.10110	23.0
171.11687	29.5
172.22240	4.5
173.09653	12.3
173.13213	26.4
175.11134	17.4
175.14821	17.8
177.12730	9.7
177.16393	10.8
181.10138	12.0
183.11699	29.4
185.13252	31.6
187.11115	7.2
187.14853	36.9
189.12723	9.4
189.16414	20.5
193.10049	7.1
193.12212	4.9
195.11685	8.8
197.13286	26.8
199.14818	36.8
200.15555	16.0
201.12718	11.0
201.16391	50.1
203.14336	9.0
203.17944	10.6
205.15823	16.8
207.11652	5.9
209.13242	12.0
211.14822	20.4
213.16403	11.8
215.14388	8.9
215.17938	34.4
217.15822	10.6
223.14798	11.5
224.15753	5.5
225.16327	12.4
227.14285	19.5
227.17957	16.8
231.17462	8.2
235.14796	7.4
237.16441	11.0
239.17863	12.3
245.15367	9.1
251.17876	9.5
253.19615	9.0
255.17368	8.1
255.21208	5.9
269.22488	4.9
278.20654	5.1
281.19189	6.3
285.07538	23.5
291.20981	5.3
293.22391	5.0
295.23996	24.5
305.22522	5.3
313.25143	16.0
319.24219	8.0
321.25806	11.7
335.27200	5.3
345.25787	10.6
345.48730	5.0
353.28442	5.6
363.22580	8.8
363.26828	100.0
369.09711	4.8
377.28433	6.4
381.27844	95.7
395.29303	15.0
417.31705	5.8
425.74442	4.7
435.33401	29.1
453.33841	44.4
471.34665	18.1
485.30475	42.4
503.31723	47.8
504.32477	5.5
549.24957	12.0
557.35986	12.9
575.37317	32.7
593.38306	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.8
57.03439	0.6
65.94802	0.6
66.72368	0.6
67.05505	3.5
69.03403	0.9
69.07069	23.2
71.51974	0.8
75.04494	0.7
79.05473	2.6
81.03394	0.9
81.07047	2.9
82.68696	0.6
83.04975	1.8
83.08588	0.6
91.05476	3.6
93.07035	1.9
95.04971	1.5
95.08609	1.5
97.10143	1.0
105.07008	1.4
105.81955	0.7
106.06528	2.1
107.04942	0.8
107.08572	1.7
109.10118	0.8
113.51983	0.6
115.05461	2.5
117.05717	0.9
117.07042	1.9
118.06522	2.8
119.08548	1.2
119.59016	0.7
121.10166	1.1
130.06520	6.3
132.08104	1.3
134.06015	26.8
135.11702	1.1
142.06520	50.6
143.07263	0.8
143.08488	0.7
144.08086	27.9
152.07132	0.8
154.06473	1.4
156.08073	8.3
158.06038	1.0
158.09650	1.7
159.04381	0.9
159.11720	0.8
160.07582	29.6
163.11197	0.7
164.07050	2.9
165.10292	0.8
167.07317	3.3
168.08095	4.2
169.08852	2.4
170.05969	5.3
170.09662	15.0
172.11157	2.9
175.03903	9.3
175.12254	1.1
177.05431	0.7
180.08020	1.0
181.08908	1.9
182.09656	11.5
183.09137	1.7
184.11229	9.2
185.12004	2.3
186.12802	1.9
187.03917	1.4
188.07077	1.5
194.09680	7.2
196.11221	0.7
198.12784	100.0
199.13103	1.0
200.10699	25.9
201.05620	0.7
205.04973	2.5
211.13481	1.4
212.10725	13.5
212.14275	1.7
226.12260	26.4
227.07019	0.9
227.12807	0.8
229.08609	0.9
233.08054	1.7
238.15887	2.6
240.17461	7.1
242.05814	1.0
243.10175	1.0
245.08069	1.3
247.09651	4.1
250.15865	3.9
259.09763	1.1
268.16959	61.9
270.05197	1.1
285.07565	10.5
286.18033	17.9
308.17542	9.2
313.14304	1.7
320.17584	1.5
331.15475	1.0
413.91769	0.6
457.82056	0.7
557.87549	0.8
575.34949	0.9
593.23859	0.6
593.34534	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	593.2751
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
62.30467	0.4
70.73173	0.9
71.61304	0.3
82.41113	0.4
109.62807	0.3
175.97810	0.5
212.30716	0.4
223.12402	0.4
258.00363	0.4
312.19864	0.4
388.17017	0.7
389.17786	1.5
401.17715	0.7
402.18658	1.4
403.19165	3.0
404.19922	1.8
405.20871	2.3
415.19165	0.9
416.20068	1.0
417.16339	1.1
417.21387	5.0
418.21869	2.3
419.22394	4.5
430.17786	1.3
431.18195	9.2
431.23566	0.7
432.18710	2.4
432.24350	0.6
433.24237	7.7
434.24731	1.2
445.19980	12.6
446.20685	4.3
447.21625	4.6
449.23871	0.6
459.21570	3.7
460.22595	12.8
461.23273	11.7
473.23749	1.9
474.23923	0.7
475.20932	0.4
476.25934	1.3
477.22614	1.1
487.25385	0.9
489.26898	0.7
491.24658	0.7
492.25562	0.6
505.21695	4.2
518.22809	0.7
519.23175	0.8
533.25464	42.4
534.26099	1.1
564.23187	0.5
565.28333	1.1
593.27557	100.0
594.27722	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	593.2753
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.22249	0.1
70.69037	0.3
103.01910	0.1
115.12189	0.1
182.00281	0.1
221.28636	0.1
312.99210	0.1
417.21329	0.1
431.18488	1.2
432.19403	0.4
433.24094	1.3
434.24619	0.5
445.19617	0.6
446.20609	0.8
447.21625	2.0
447.26825	0.1
449.23245	0.1
459.21347	0.8
460.22516	6.1
461.23206	5.2
462.23938	0.3
473.23569	0.7
474.24219	0.3
476.25916	0.6
477.22055	0.2
477.26694	0.3
487.25287	0.7
488.25589	0.1
489.26270	0.4
491.24213	0.5
492.24985	0.8
493.25638	0.2
504.20929	0.1
504.25632	0.1
505.21970	3.8
515.24695	0.2
517.25873	0.1
518.23169	0.5
519.23572	0.6
520.23450	0.1
533.25452	16.7
534.25781	0.9
547.26886	0.3
549.22070	0.1
561.24957	0.3
564.23547	0.4
565.28168	0.5
575.26740	0.1
578.25049	0.1
593.27515	100.0
594.27869	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	593.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.05521	0.5
65.03913	1.2
67.05497	1.6
69.03426	2.1
69.07062	1.2
70.06573	0.9
71.04996	0.8
71.53133	0.4
71.53616	0.5
77.03902	0.5
79.05483	1.1
80.58743	0.4
81.03413	5.0
81.07052	2.8
83.04964	0.4
84.08122	0.4
85.02901	2.9
85.06532	0.6
85.07652	0.5
87.00849	0.5
89.03930	0.8
90.54243	0.5
91.05474	20.6
93.07029	2.0
95.04960	0.8
95.08583	1.7
97.02876	1.0
97.06519	0.7
99.04432	1.1
103.05446	0.7
105.03370	1.0
105.07011	1.3
107.08588	1.0
109.02882	2.2
109.06467	0.5
109.10147	1.8
111.07978	0.4
118.04111	0.4
119.04936	29.8
119.08570	0.6
120.08070	0.4
121.06493	0.6
121.10130	1.1
123.11678	0.6
127.03890	1.6
129.03424	0.5
131.04874	0.5
131.49072	0.4
132.02014	1.1
133.02853	0.8
133.10078	0.8
135.04323	0.6
135.11703	0.6
136.05188	0.8
137.09627	0.5
137.13243	0.6
145.02814	0.7
145.06419	0.5
147.04398	27.2
147.11650	0.5
149.02312	1.2
149.13232	0.7
151.03891	0.7
151.07552	0.5
151.11189	1.0
152.97794	0.5
157.03940	3.1
159.07950	0.4
164.04593	0.9
175.03897	50.8
176.04297	0.5
179.07034	2.7
185.15430	0.9
189.12854	0.6
191.18044	0.5
192.04175	0.9
207.06511	100.0
207.85281	0.4
208.06848	1.3
225.07564	0.9
242.05771	1.7
270.05228	2.9
285.07574	17.3
286.07892	0.5
287.12576	0.5
291.26758	0.7
327.08627	0.9
351.10764	5.4
369.11774	2.9
447.12979	0.9
593.19788	0.4
594.19775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
54.91582	0.8
55.01860	1.8
55.05499	1.7
56.05029	0.8
56.11913	0.7
57.03421	1.5
57.07058	1.4
60.04508	0.9
61.02908	1.1
67.05485	4.8
69.03413	3.3
69.07047	3.3
70.06594	4.1
71.04980	3.4
71.53153	1.4
72.08112	1.0
73.02923	1.0
77.03921	1.2
79.01813	0.9
79.05498	4.7
81.03435	6.3
81.07050	9.4
83.04984	1.9
83.08625	1.3
84.04494	0.9
84.08141	1.2
85.02911	10.7
85.06522	1.7
86.09685	1.2
87.00813	1.4
91.05473	6.9
91.88656	0.8
93.07033	5.3
95.04943	2.4
95.08605	6.2
97.02885	4.0
97.06521	1.9
99.04459	2.4
99.08102	1.8
101.05952	0.8
105.03385	1.8
105.07015	3.5
107.04963	1.8
107.08578	4.4
109.02858	3.7
109.06477	2.2
109.10165	6.1
111.04416	1.3
111.08086	1.5
116.07107	1.8
116.10755	0.8
119.04961	10.4
119.08548	3.1
120.08061	0.9
121.02862	2.4
121.06498	1.1
121.10135	3.5
123.04471	0.9
123.08020	1.3
123.11704	2.0
127.03907	4.9
129.05467	0.9
129.06985	0.9
131.08519	1.1
133.02786	1.0
133.06448	2.8
133.10106	1.3
135.04407	19.1
135.08035	1.5
135.11664	1.4
137.05951	1.4
141.10092	0.8
145.04929	1.6
145.06505	1.7
145.10147	1.4
147.04413	8.2
147.11653	1.9
149.09593	1.1
149.13219	2.7
151.03871	2.8
153.01811	1.1
159.04393	1.8
159.08003	0.9
161.13312	1.3
163.11128	1.0
163.14751	1.3
165.01810	2.6
167.07057	14.4
175.03920	10.3
177.05464	1.1
179.07019	0.9
181.04892	0.9
185.12981	0.8
188.08307	1.2
189.12683	1.7
191.03410	1.0
193.08580	0.9
195.02824	1.2
195.06560	2.2
201.05428	1.1
201.09096	0.9
207.06532	26.1
207.13820	1.9
211.07495	0.9
217.04926	3.0
227.06967	3.2
239.07082	1.2
241.08583	0.9
242.09412	1.1
255.13844	1.3
256.07275	2.4
257.07785	1.2
261.03970	2.4
269.08041	3.3
269.11694	2.3
270.06140	1.1
270.08853	6.2
271.06006	2.0
280.07199	0.9
284.06781	1.7
285.07562	18.2
286.04657	1.5
286.07806	1.1
287.05508	4.7
291.26743	2.7
293.08081	1.1
294.08762	1.5
296.06998	1.4
297.07565	55.3
298.05096	1.6
298.08350	30.5
299.08932	2.5
301.06955	3.9
308.06717	1.7
309.04178	1.3
309.07553	13.8
309.27701	2.4
311.09073	14.7
312.06296	4.6
317.06668	1.2
321.07590	1.1
322.08350	3.1
323.09265	4.0
325.07001	2.3
327.08618	100.0
327.29077	1.1
328.08878	2.3
337.06989	2.0
337.10645	15.7
339.08566	5.2
351.08560	18.7
357.09735	5.8
363.08484	1.1
365.10089	5.3
369.09686	1.7
381.09753	7.5
383.11011	1.0
393.09714	7.7
401.15646	2.5
411.10699	19.5
429.11804	28.5
431.17123	2.3
447.12866	96.2
448.12863	2.3
473.14084	4.5
539.34558	1.0
593.18445	46.5
594.18372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1863
Annotation	BUDDLEOFLAVONOLOSIDE
Peak:m/z	Relative Intensity
52.70117	0.0
53.98610	0.0
55.05489	0.1
55.42432	0.0
57.03431	0.2
57.30274	0.0
59.05008	0.0
62.31965	0.0
62.99672	0.0
67.01852	0.1
67.05482	0.1
68.99816	0.1
69.03403	0.2
69.07033	0.1
69.64400	0.2
70.06561	0.0
71.04990	1.0
73.02886	0.1
75.04458	0.1
79.05470	0.1
81.03395	0.2
81.07053	0.3
83.04955	0.0
83.08612	0.0
85.02904	1.5
85.06524	0.1
89.07138	0.1
91.05453	0.1
92.26935	0.0
93.07018	0.1
95.04982	0.1
95.08615	0.2
97.02868	0.2
97.06523	0.0
99.04438	0.1
103.05469	0.0
105.01861	0.0
105.03394	0.0
105.06992	0.1
107.04882	0.1
107.08557	0.1
109.02847	0.1
109.06498	0.0
109.10143	0.1
111.04451	0.1
111.08112	0.0
119.04939	0.1
119.08562	0.1
121.10122	0.1
123.11686	0.1
127.03903	0.2
129.05461	0.3
133.06485	1.0
133.10083	0.0
134.06862	0.0
135.04420	0.3
135.11673	0.1
145.10088	0.0
147.04388	0.1
147.06470	0.1
147.11685	0.1
149.13280	0.1
153.01816	1.2
159.04405	0.2
161.13234	0.0
171.02917	0.2
175.03853	0.2
177.05516	0.1
185.15372	0.1
201.05251	0.0
207.06474	0.3
217.08647	0.1
225.05544	0.1
239.07108	0.1
242.05724	12.8
243.06174	0.3
257.04242	0.0
257.08115	0.1
268.07074	0.1
270.05215	10.8
271.05695	0.2
284.07043	0.0
285.07553	100.0
286.07913	1.7
291.26761	0.1
297.07498	0.2
298.08469	0.0
309.07709	0.1
311.08997	0.0
327.08450	0.3
351.08551	0.1
411.10513	0.1
429.11871	0.1
447.12872	2.3
593.17755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1866
Annotation	Flavocummelin
Peak:m/z	Relative Intensity
53.03940	1.4
54.91582	0.8
55.01860	1.8
55.05499	1.7
56.05029	0.8
56.11913	0.7
57.03421	1.5
57.07058	1.4
60.04508	0.9
61.02908	1.1
67.05485	4.8
69.03413	3.3
69.07047	3.3
70.06594	4.1
71.04980	3.4
71.53153	1.4
72.08112	1.0
73.02923	1.0
77.03921	1.2
79.01813	0.9
79.05498	4.7
81.03435	6.3
81.07050	9.4
83.04984	1.9
83.08625	1.3
84.04494	0.9
84.08141	1.2
85.02911	10.7
85.06522	1.7
86.09685	1.2
87.00813	1.4
91.05473	6.9
91.88656	0.8
93.07033	5.3
95.04943	2.4
95.08605	6.2
97.02885	4.0
97.06521	1.9
99.04459	2.4
99.08102	1.8
101.05952	0.8
105.03385	1.8
105.07015	3.5
107.04963	1.8
107.08578	4.4
109.02858	3.7
109.06477	2.2
109.10165	6.1
111.04416	1.3
111.08086	1.5
116.07107	1.8
116.10755	0.8
119.04961	10.4
119.08548	3.1
120.08061	0.9
121.02862	2.4
121.06498	1.1
121.10135	3.5
123.04471	0.9
123.08020	1.3
123.11704	2.0
127.03907	4.9
129.05467	0.9
129.06985	0.9
131.08519	1.1
133.02786	1.0
133.06448	2.8
133.10106	1.3
135.04407	19.1
135.08035	1.5
135.11664	1.4
137.05951	1.4
141.10092	0.8
145.04929	1.6
145.06505	1.7
145.10147	1.4
147.04413	8.2
147.11653	1.9
149.09593	1.1
149.13219	2.7
151.03871	2.8
153.01811	1.1
159.04393	1.8
159.08003	0.9
161.13312	1.3
163.11128	1.0
163.14751	1.3
165.01810	2.6
167.07057	14.4
175.03920	10.3
177.05464	1.1
179.07019	0.9
181.04892	0.9
185.12981	0.8
188.08307	1.2
189.12683	1.7
191.03410	1.0
193.08580	0.9
195.02824	1.2
195.06560	2.2
201.05428	1.1
201.09096	0.9
207.06532	26.1
207.13820	1.9
211.07495	0.9
217.04926	3.0
227.06967	3.2
239.07082	1.2
241.08583	0.9
242.09412	1.1
255.13844	1.3
256.07275	2.4
257.07785	1.2
261.03970	2.4
269.08041	3.3
269.11694	2.3
270.06140	1.1
270.08853	6.2
271.06006	2.0
280.07199	0.9
284.06781	1.7
285.07562	18.2
286.04657	1.5
286.07806	1.1
287.05508	4.7
291.26743	2.7
293.08081	1.1
294.08762	1.5
296.06998	1.4
297.07565	55.3
298.05096	1.6
298.08350	30.5
299.08932	2.5
301.06955	3.9
308.06717	1.7
309.04178	1.3
309.07553	13.8
309.27701	2.4
311.09073	14.7
312.06296	4.6
317.06668	1.2
321.07590	1.1
322.08350	3.1
323.09265	4.0
325.07001	2.3
327.08618	100.0
327.29077	1.1
328.08878	2.3
337.06989	2.0
337.10645	15.7
339.08566	5.2
351.08560	18.7
357.09735	5.8
363.08484	1.1
365.10089	5.3
369.09686	1.7
381.09753	7.5
383.11011	1.0
393.09714	7.7
401.15646	2.5
411.10699	19.5
429.11804	28.5
431.17123	2.3
447.12866	96.2
448.12863	2.3
473.14084	4.5
539.34558	1.0
593.18445	46.5
594.18372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.186
Annotation	BUDDLEOFLAVONOLOSIDE
Peak:m/z	Relative Intensity
58.87978	0.1
65.72779	0.1
71.04975	0.4
71.18272	0.3
72.39183	0.1
83.37604	0.1
85.02907	0.8
129.05431	0.2
133.06485	0.9
135.04401	0.3
147.74825	0.1
153.01811	0.9
159.04385	0.3
202.31070	0.1
208.27029	0.1
209.85013	0.1
241.05118	0.1
242.05731	11.8
243.06154	0.3
255.45317	0.1
257.08078	0.2
270.05234	10.2
271.05576	0.2
285.07562	100.0
286.07956	1.8
293.20294	0.2
327.08304	0.1
434.11661	0.1
440.38132	0.2
447.12848	0.5
593.18420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1862
Annotation	Linarin
Peak:m/z	Relative Intensity
51.77259	0.0
52.14123	0.0
55.05487	0.1
55.71503	0.0
57.03437	0.5
61.24851	0.0
67.01840	0.1
68.99789	0.1
69.03414	0.0
70.00920	0.2
70.06557	0.0
71.04990	2.7
73.02896	0.1
75.04453	0.1
78.85678	0.0
81.07021	0.0
83.04942	0.1
85.02902	3.5
87.04433	0.1
89.03901	0.0
89.85825	0.0
95.08576	0.0
105.03371	0.1
109.02851	0.1
111.04414	0.1
129.05479	0.8
133.06483	0.8
135.04408	0.3
137.63115	0.0
147.06477	0.2
147.80597	0.0
153.01805	1.2
159.04436	0.3
171.02943	0.2
175.89955	0.0
177.05542	0.1
207.06442	0.1
217.08650	0.1
239.07004	0.1
242.05727	8.2
243.06120	0.2
257.08182	0.1
261.07281	0.0
268.07254	0.1
270.05215	9.2
271.05688	0.2
273.06253	0.2
284.06622	0.0
285.07550	100.0
286.07907	1.9
288.08572	0.2
297.07501	0.1
323.47791	0.0
327.08475	0.1
330.13458	0.0
395.11060	0.1
447.12851	16.4
448.13089	0.5
593.18561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1502
Annotation	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
53.03950	1.5
54.52993	0.3
55.01851	0.7
55.05508	0.6
57.03435	0.7
59.43527	0.3
60.04510	0.4
61.02931	0.5
65.03945	0.4
67.05479	0.8
68.99796	0.8
69.03430	5.9
69.07053	0.7
70.06579	1.4
71.05013	1.6
71.53867	0.6
73.02901	0.8
79.05496	0.7
81.03421	6.4
81.07048	1.6
83.04977	0.6
84.04451	0.4
84.08140	1.1
85.02907	13.8
86.06084	0.3
86.09693	0.8
87.04448	0.5
91.05469	0.9
93.07025	0.8
95.04952	0.9
95.08588	1.1
97.02895	7.3
97.06474	0.4
99.04456	10.2
103.03942	9.2
103.05386	0.3
105.03384	0.7
105.07032	0.7
107.04971	0.5
109.02882	6.0
109.06516	0.3
109.10145	0.6
111.00851	0.7
111.04436	0.4
116.07017	0.4
117.07082	0.3
119.04939	1.1
119.08588	0.4
120.08083	0.5
121.02875	2.8
121.06537	0.5
121.10126	0.4
123.04427	0.5
123.08060	0.6
123.11747	0.5
127.03921	18.2
133.02866	0.6
133.10135	0.6
135.08093	0.3
137.02362	0.5
137.06050	0.3
140.07007	0.4
145.02832	0.8
145.04962	6.6
145.06268	0.4
145.06509	0.3
147.04445	1.6
149.05986	0.4
151.03896	0.6
153.01837	3.5
163.06029	1.3
163.07436	0.3
165.01826	1.5
167.07031	3.1
171.64673	0.3
175.03856	2.1
177.05470	1.0
178.05960	0.4
183.02899	0.7
187.05963	1.5
188.08215	0.3
201.30449	0.4
206.04636	0.3
207.06519	3.6
213.05457	1.4
224.03644	0.5
225.04004	0.4
231.06552	0.7
238.39349	0.3
241.04900	0.7
255.14302	0.3
258.05255	1.0
259.05862	0.4
269.11819	0.7
271.08203	0.7
281.46426	0.3
285.07492	1.3
287.05502	100.0
288.05826	1.2
299.05466	0.6
301.07138	0.7
311.05594	0.6
329.06540	2.1
353.06357	0.5
401.15695	0.6
431.17157	0.5
447.12598	0.5
463.84573	0.3
593.21985	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76003	2.5
55.05515	39.1
57.03450	20.5
57.07076	34.2
58.06579	4.0
65.37495	2.8
65.62639	2.6
67.05505	61.6
69.07057	13.4
69.86131	18.2
71.04999	2.8
71.08629	20.5
72.90599	3.1
79.05477	11.8
81.03420	3.6
81.07057	30.3
83.04971	4.3
83.08624	20.9
85.02893	11.2
85.10168	8.6
87.04450	5.6
91.05463	7.0
95.08610	25.6
97.10172	15.6
100.37697	3.0
100.40084	2.9
107.08617	9.5
109.10156	42.0
111.38004	3.5
119.08546	3.8
121.15633	3.1
122.83143	2.9
125.09626	13.8
135.11627	4.8
150.43567	3.0
154.27814	3.1
163.11235	3.0
173.11760	7.7
191.58549	3.1
199.13332	13.2
208.06651	3.1
229.14372	28.6
285.07690	7.7
294.77939	3.3
300.57919	2.9
301.16464	9.0
313.27371	69.7
403.19144	5.3
405.20615	8.0
412.36481	6.2
417.20886	4.8
419.22345	7.5
431.18427	18.6
433.23868	9.2
445.19766	24.4
446.21170	6.1
447.21732	7.0
455.37381	9.5
459.21820	12.5
460.22586	19.6
461.23148	13.2
467.37457	14.4
473.23535	3.7
505.22372	9.3
533.25537	55.2
592.30615	11.1
593.27576	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42076	4.3
53.31395	4.4
55.05520	32.9
56.96655	3.8
57.03435	19.2
57.07076	33.4
67.05505	53.6
69.07073	14.3
70.97732	4.4
70.98076	9.4
71.08629	29.0
79.05482	18.7
81.07066	36.1
83.08607	15.3
85.02902	15.8
85.10175	18.0
87.04469	8.3
91.99795	4.6
93.07045	8.8
95.08583	23.3
97.10181	19.2
107.08563	9.3
109.10163	46.1
119.08625	6.4
125.09617	22.1
173.11745	9.1
199.13297	16.1
227.12709	5.2
229.14326	41.0
241.91653	4.2
301.16452	14.2
313.27368	95.7
313.30771	8.6
403.19000	5.5
412.36560	9.6
431.18152	6.7
437.36295	9.0
445.20056	15.9
447.22113	6.7
455.37057	10.1
459.21875	9.0
460.22482	14.6
461.23245	13.9
467.37323	20.1
492.25424	5.0
505.22046	7.6
533.25519	46.4
559.91034	5.5
593.27612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
55.05511	35.9
55.96848	1.2
57.03438	14.8
57.07078	35.7
59.05000	2.7
66.76152	1.4
67.05508	50.8
68.96989	1.4
69.07070	14.5
71.04968	1.8
71.08636	23.4
71.45367	1.8
79.05492	14.5
81.07053	30.2
83.04967	4.0
83.08616	22.1
83.96513	1.3
85.02893	16.2
85.10184	15.5
87.04464	9.2
89.06010	2.0
91.05453	3.7
91.98051	1.5
93.07027	6.4
95.04955	3.3
95.08602	21.7
97.06503	2.2
97.10169	29.8
103.03926	1.8
105.07023	3.4
107.04932	1.7
107.08579	11.1
109.10157	33.4
111.11736	1.7
114.46746	1.4
119.08542	4.6
121.10136	2.4
123.08093	1.8
123.11676	4.2
125.09631	27.0
129.07005	1.9
143.10632	6.1
145.10107	2.5
153.12766	1.6
163.11162	2.0
173.09630	2.0
173.10321	1.6
173.11626	8.7
191.10675	2.3
199.13289	15.9
209.11734	2.9
227.12715	6.5
229.14365	32.3
239.23706	5.6
241.08504	2.1
283.15277	2.5
301.16461	17.2
313.27359	100.0
314.27878	3.1
341.26620	2.5
401.64813	1.7
437.36163	5.5
455.37347	14.3
467.37305	13.2
533.25000	2.1
539.39648	7.7
593.27441	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	591.498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.05501	12.8
57.03436	13.2
57.07076	46.8
61.85527	2.2
67.05504	59.2
69.07069	20.0
69.07400	2.8
70.95628	5.5
71.08636	34.3
79.05491	28.8
81.07061	76.3
82.99102	2.3
83.08614	14.1
85.10181	12.8
91.05494	16.8
93.07050	44.6
95.08607	57.2
97.06512	3.9
97.10183	7.9
99.59847	2.5
105.07018	13.2
107.08609	29.0
109.10159	29.8
117.07023	9.8
119.08604	14.7
121.10172	17.5
123.11708	16.9
129.40457	2.5
131.08574	13.1
133.10143	10.4
135.11694	17.1
137.09604	2.5
137.13280	5.4
145.10156	9.7
147.11694	10.5
149.13237	12.6
151.14824	3.6
159.11697	9.6
161.13243	6.7
163.14774	7.6
173.13260	8.5
187.14781	5.4
239.23703	6.0
243.21057	13.4
261.22156	70.3
268.35947	2.6
279.23279	4.8
313.27362	100.0
314.27640	5.8
317.24664	16.4
335.25790	66.7
341.24713	2.5
490.43552	3.1
573.48669	20.5
591.49695	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	592.296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19102	0.9
55.01870	2.5
55.05500	1.3
56.05008	1.1
59.04996	1.7
60.05714	1.0
67.05511	1.3
69.03430	2.3
70.02963	4.0
70.06582	6.2
70.41522	0.9
82.95511	1.2
84.08157	1.8
85.02890	2.4
86.09670	1.3
88.54449	0.9
91.05444	1.6
98.21550	1.2
109.02917	1.4
116.07066	1.3
119.04949	1.8
120.08105	1.0
122.23210	1.0
127.03938	1.8
128.07051	1.1
135.04428	1.5
136.07581	1.4
143.08586	1.5
147.04425	3.5
147.08020	1.3
149.06029	1.6
151.03949	1.8
157.10078	1.2
159.04385	1.4
171.04617	1.4
171.08032	1.8
173.05879	1.5
175.03951	2.0
177.05502	1.6
181.10036	1.0
185.09631	3.4
187.07607	2.1
189.05484	1.4
189.09084	12.1
201.05380	2.5
201.09117	8.3
205.08640	1.6
206.10225	2.3
207.06508	4.3
213.09087	14.9
217.08594	3.0
219.10223	1.7
227.10712	3.8
227.14288	6.5
231.10135	2.7
233.11737	3.0
237.12743	2.3
243.10077	1.4
245.11748	2.4
247.09671	1.7
255.10196	2.3
255.10760	1.6
255.13792	41.5
256.14169	1.3
259.09567	2.5
261.11185	2.4
269.15390	3.2
271.06088	1.6
273.14853	19.2
274.15414	1.6
297.14825	4.7
315.15900	100.0
316.16202	3.9
333.16904	20.0
338.04358	1.0
351.17987	27.2
396.52805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.5
53.03943	11.2
55.01873	6.0
55.05512	18.8
57.07067	7.5
58.30211	3.1
58.86301	3.6
59.04986	3.9
67.05508	37.2
69.03430	16.6
69.07071	24.9
71.04976	12.0
71.52938	6.8
73.43797	3.2
75.04478	4.8
79.05496	43.0
81.03398	13.2
81.07062	64.3
83.05001	27.2
83.08617	9.4
85.06530	6.6
86.87704	3.6
89.03950	3.9
91.05492	46.4
93.07050	60.7
95.04977	46.4
95.08607	76.1
97.06551	19.1
97.10143	5.9
99.04473	8.0
99.08121	3.4
105.03401	67.2
105.07032	82.2
107.04987	5.1
107.08592	92.9
109.06520	23.5
109.10159	64.2
111.08056	5.0
117.06996	22.4
118.99886	3.8
119.08589	100.0
120.08920	3.9
121.06509	17.7
121.09338	6.4
121.10152	95.3
123.08057	11.1
123.11697	26.9
123.98824	3.6
125.05976	7.8
125.12257	4.2
127.07614	3.9
128.06247	9.4
129.07031	16.5
130.07695	4.2
131.08563	52.5
133.06563	4.8
133.10135	72.8
135.08034	15.4
135.11688	46.8
137.09612	10.1
137.13249	13.6
139.07568	17.2
141.06975	9.9
142.07773	13.3
143.08563	34.2
145.10132	70.3
147.08003	5.7
147.11691	43.8
149.09627	12.4
149.13298	21.6
151.11087	6.5
155.08527	13.0
156.09331	5.9
157.10124	46.9
159.11700	53.8
161.09596	16.3
161.13263	28.1
163.11235	9.9
163.14786	10.3
168.09331	4.0
169.10117	26.2
170.10809	6.1
171.08078	3.7
171.11755	34.7
173.09615	14.2
173.13275	47.1
175.11156	13.0
175.14830	24.4
177.05426	4.4
177.12753	10.1
177.16405	9.4
179.08504	7.8
181.10107	14.1
183.11728	27.7
185.13263	38.7
187.11169	7.6
187.14801	39.2
189.12721	7.8
189.16431	25.1
191.10677	4.5
191.17976	6.1
195.11646	12.8
197.13307	20.0
198.08351	3.3
199.03906	3.5
199.11276	4.6
199.14813	36.4
200.15623	18.4
201.12738	11.1
201.16403	46.8
203.14317	7.2
203.18010	8.5
205.04980	33.6
205.15872	9.9
207.11736	7.6
209.13272	15.5
211.14838	16.1
213.12756	10.7
213.16426	7.9
215.14410	5.3
215.17978	29.1
217.15889	12.2
221.13266	8.4
223.14809	13.7
225.12746	6.0
225.16348	14.2
227.14317	13.3
227.18019	19.2
229.15836	5.6
229.19440	8.9
231.13802	8.3
231.17493	6.0
233.13289	5.3
235.15041	4.4
237.16377	13.2
239.14098	5.9
239.17990	5.9
241.15932	6.0
241.19456	10.7
243.10271	5.1
245.15352	7.9
247.14732	5.9
249.16495	9.7
251.17862	6.0
253.19519	8.7
255.17422	4.6
255.21095	7.5
261.11090	8.4
267.17502	6.2
267.21182	6.3
269.22711	6.5
275.23007	3.9
279.21066	5.7
295.24286	20.7
297.18661	4.3
301.64783	4.0
305.22495	6.0
311.23492	5.4
313.25189	13.7
319.24240	11.4
321.25699	7.8
335.23663	4.0
337.25146	8.5
345.25778	5.0
355.22684	5.0
363.26846	49.1
364.27151	4.5
375.26895	8.1
377.28397	5.6
381.27951	25.8
393.27811	5.9
414.00861	4.3
415.29935	10.4
433.31055	29.6
435.28915	6.7
451.32135	67.3
452.32059	4.3
469.33124	26.9
485.30542	8.1
503.31519	12.4
555.34705	13.7
571.36060	4.0
573.35651	25.5
591.27130	3.5
591.36987	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	591.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01868	6.7
55.05505	14.1
57.03441	3.9
57.07063	4.6
65.03945	6.4
67.05508	31.5
69.03434	22.1
69.07073	23.1
69.43094	31.5
69.81283	3.2
71.04975	8.5
73.92966	3.7
78.47176	3.6
79.05492	40.8
81.03391	11.6
81.07056	64.9
81.91051	3.3
83.04974	31.7
83.08630	8.6
85.06524	3.7
86.41940	3.8
91.05474	38.0
93.07043	57.0
95.04981	55.6
95.08616	72.8
97.06525	14.3
99.04451	6.9
105.03394	52.0
105.04520	3.9
105.06409	4.8
105.07035	64.9
107.08596	97.3
109.06494	17.2
109.10156	44.4
111.08083	8.3
111.11753	5.0
115.05412	3.9
117.07027	16.6
117.18228	3.3
118.74097	3.3
119.08583	90.1
121.06506	13.6
121.10150	100.0
123.04433	5.6
123.08038	12.5
123.11698	24.5
125.05996	8.9
127.07617	4.5
128.06224	8.6
129.06995	16.0
131.08578	46.9
133.06419	4.0
133.10126	74.2
135.08023	14.8
135.11699	45.2
137.09642	4.4
137.13235	16.4
139.07558	18.5
141.06978	5.8
142.07762	7.5
143.08554	30.5
144.09293	4.2
145.10138	64.2
147.08009	10.5
147.11688	39.5
149.05960	3.3
149.09592	9.3
149.13231	16.2
151.11153	6.7
155.08557	12.9
156.09369	4.3
157.10132	45.3
158.10863	4.9
159.08087	13.2
159.11707	46.2
161.09656	17.3
161.13264	32.2
163.11183	10.4
163.14789	8.0
167.08597	6.2
168.09445	4.0
169.10109	15.6
170.10954	6.6
171.11693	29.6
173.09625	18.3
173.13260	41.1
175.03908	4.1
175.11240	19.8
175.14790	25.8
177.05464	14.7
177.12766	8.5
177.16394	8.7
179.14363	4.1
181.10092	10.5
183.11717	25.2
184.12531	3.9
185.09708	6.9
185.13269	31.9
186.13983	4.1
187.11163	9.5
187.14807	29.1
189.12770	11.6
189.16389	20.7
193.10229	6.6
193.12148	4.3
195.11703	15.0
197.13269	22.7
198.14047	4.7
199.11174	4.9
199.14832	28.6
200.15526	21.4
201.12726	15.2
201.16406	51.6
203.14284	7.6
203.17850	7.4
205.04962	80.6
205.15959	6.0
208.12495	4.1
209.13231	15.2
211.14815	15.4
213.12769	11.1
213.16359	12.1
215.14409	8.0
215.17963	35.2
217.15854	11.3
221.13351	3.6
223.14801	12.6
225.12877	4.1
225.16399	12.7
227.14293	13.4
227.17958	13.4
229.15871	7.3
229.19417	7.5
231.13806	6.3
233.15361	5.2
235.14827	6.7
237.16414	8.3
239.14235	4.4
239.17961	9.8
241.15869	8.2
241.19417	8.1
245.15396	7.9
249.16417	7.2
251.17972	4.5
253.15935	4.6
253.19562	6.7
255.21127	7.5
261.11215	7.0
263.18158	4.1
267.17569	5.8
267.21042	6.2
269.22644	6.1
279.21085	6.2
293.22568	5.3
295.24362	22.2
297.18390	5.3
307.20480	4.5
307.24228	4.4
309.86639	3.5
311.23520	4.6
313.25226	26.2
319.24298	11.1
321.25629	9.3
333.25745	7.1
337.25272	9.6
345.25760	9.3
351.26797	5.0
363.26871	54.8
375.26645	5.2
381.27914	38.0
382.28503	3.3
393.27957	11.2
411.28943	3.8
415.29865	8.2
433.31091	40.3
435.28955	14.2
451.32043	56.6
469.33051	19.1
485.30179	7.8
500.81628	4.1
503.31439	15.9
542.07153	4.1
555.34479	11.2
573.35718	19.8
591.25195	4.7
591.36127	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00528	2.0
52.68569	1.8
53.03940	4.2
55.01859	6.1
55.05515	10.3
57.03446	3.0
57.07063	5.4
57.64332	1.8
59.04997	3.7
67.05504	27.1
69.03410	6.7
69.07069	54.6
70.06583	5.3
70.75681	4.5
71.04979	6.4
74.06083	2.3
79.05499	13.9
81.03389	6.6
81.07059	100.0
83.04962	3.1
83.08603	6.1
84.08124	4.0
85.02892	8.8
85.06532	12.0
86.09692	2.3
89.06023	1.9
91.05492	11.4
93.07041	33.4
95.04971	5.0
95.08607	52.1
97.02875	4.2
97.06525	8.3
97.10133	5.9
99.04413	3.0
99.08083	3.5
105.01836	2.6
105.03385	2.7
105.07038	25.5
107.04954	2.8
107.08589	37.4
109.02886	3.9
109.06512	4.9
109.10167	39.0
111.07381	2.9
111.08081	36.0
111.11719	7.7
119.04962	3.7
119.08580	15.6
121.02814	2.2
121.10140	23.7
123.08078	4.1
123.11710	80.2
125.09641	5.4
127.03891	7.4
131.08504	3.0
133.10135	16.3
135.11668	17.3
137.13223	8.9
139.11195	13.8
141.12680	2.8
145.10107	8.1
147.04433	4.7
147.11696	14.3
149.13264	14.5
151.11183	20.9
153.12727	8.2
159.11679	8.8
161.13235	10.1
163.14810	10.1
165.12793	5.2
167.07079	2.4
167.35034	2.2
169.12173	5.1
172.26089	1.8
173.13225	2.7
175.03894	2.4
175.14813	8.4
177.16396	8.1
187.14822	2.4
189.16397	7.7
191.17969	3.2
201.16501	2.4
203.17961	4.7
207.06532	8.3
207.17360	6.1
215.17947	7.3
233.19034	3.4
271.24268	12.6
277.25296	9.6
287.05511	3.3
289.25284	32.7
297.07510	3.9
305.22293	1.9
307.26315	82.0
308.59619	2.1
309.07614	2.0
325.27332	6.3
351.08734	2.7
393.09824	3.7
405.10089	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	590.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
53.30316	0.2
54.88724	0.2
65.03938	0.7
65.37200	0.2
67.05502	0.3
69.03420	0.6
69.07099	0.3
69.59113	1.6
70.06599	2.2
71.04955	0.2
72.08137	0.3
77.03908	0.3
79.05472	0.4
81.03402	1.2
81.07044	1.0
84.08144	0.4
85.02888	0.7
86.09692	0.5
88.37243	0.3
91.05482	8.0
92.05808	0.2
95.04959	0.5
95.08617	0.4
97.02852	0.3
98.20764	0.3
103.05444	0.3
105.03397	0.2
105.07023	0.5
106.04161	0.3
106.60141	0.2
107.04955	0.3
107.08581	0.3
109.02856	0.8
109.10159	0.3
112.07574	0.6
116.07121	1.3
119.04943	11.0
119.08646	0.3
121.02853	2.0
121.10138	0.4
122.06033	0.7
123.06796	0.4
127.03921	0.4
131.04884	0.3
134.03601	0.6
135.04395	0.5
137.05971	0.3
140.06984	0.7
145.02834	0.3
147.04405	10.4
149.02296	0.2
151.06308	0.3
157.03947	1.0
158.08086	0.3
161.04745	0.4
162.05563	0.5
164.04695	0.4
175.03902	19.2
176.04343	0.4
176.07118	0.7
178.04869	0.3
179.05685	0.5
179.07019	0.7
202.10655	0.3
206.04501	0.3
207.05232	47.5
207.06648	32.7
208.05421	0.7
208.06976	0.9
220.06133	0.4
222.07610	100.0
223.07968	1.8
225.07452	0.3
264.08636	0.3
288.05896	0.3
309.07654	0.4
339.08209	0.2
351.10828	2.4
369.11871	1.6
384.12927	5.7
385.13013	0.4
590.18585	4.9
590.27460	0.3
591.19739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
57.03434	3.0
61.02923	2.0
65.03936	0.6
67.01842	0.3
67.05492	0.5
68.99809	0.5
69.03426	1.7
69.30767	0.6
69.31173	2.2
70.06583	0.8
71.01355	0.3
73.02909	1.5
73.68927	0.2
77.03927	0.3
79.05486	1.1
81.03412	2.3
81.07040	0.8
83.01345	0.4
84.08138	0.4
85.02427	0.6
85.02905	7.2
86.09721	0.5
91.05482	1.0
92.02608	0.4
93.03414	2.2
95.01337	0.6
95.04961	1.4
97.02889	1.5
103.03937	2.2
103.05462	1.0
105.03376	0.9
105.07037	0.9
107.04951	3.2
109.02880	3.1
109.06528	0.7
111.00901	0.3
111.04449	0.7
115.05460	0.7
118.04145	0.5
119.04945	1.2
121.02869	2.8
121.06496	1.1
123.04437	0.6
125.05962	1.0
127.03923	0.6
131.04941	1.2
132.05714	0.6
133.02861	0.4
133.06485	18.3
135.04410	48.1
136.04732	0.4
136.58977	0.3
137.02400	0.5
139.03850	1.0
141.01842	0.5
143.04944	1.0
145.02875	0.5
145.06468	0.7
147.04364	1.4
149.02354	0.4
149.06006	1.0
150.03183	0.3
151.03885	0.9
153.01822	0.5
155.04979	0.5
157.02818	0.3
157.06468	0.6
159.04407	5.0
161.02356	1.5
161.05928	1.8
163.03923	1.2
165.01845	1.0
171.04433	1.0
173.02348	0.5
173.05997	1.3
175.00270	0.3
175.03931	2.7
176.01109	0.7
177.01791	3.5
177.05421	2.7
179.03404	3.1
181.04999	0.4
181.06448	0.3
183.02925	0.4
183.04433	0.5
183.08223	0.3
185.06010	0.8
186.03073	0.4
187.03860	2.3
187.07529	0.6
189.01822	7.6
189.05453	1.8
190.02592	1.3
191.03363	2.9
193.04971	0.5
194.02124	0.5
195.02882	8.5
195.04630	0.5
195.06522	0.4
197.04509	0.9
199.03877	1.8
199.07642	0.3
200.04669	0.5
201.01849	1.1
201.05424	3.5
203.03387	17.8
204.04118	1.3
205.01344	0.8
205.04939	3.0
207.02890	9.7
207.06415	0.6
208.03520	0.9
209.04404	0.6
211.03932	1.3
211.07614	0.5
213.01785	0.3
213.05493	1.2
215.03398	3.7
215.07022	0.7
217.01469	0.5
217.04955	7.1
219.02917	2.4
219.06529	1.1
221.04414	5.8
221.06366	0.4
225.03705	1.5
225.05769	0.6
227.03415	3.2
227.06984	0.5
228.04146	0.7
229.01411	0.5
229.04947	6.4
231.02893	2.2
231.06546	0.6
233.04404	6.5
235.06018	1.2
237.05685	0.4
237.09026	0.5
239.03372	1.4
239.07072	0.8
240.04321	0.3
241.04945	1.5
242.02158	0.4
243.02939	2.6
243.06517	1.8
244.08453	0.3
245.04440	2.4
247.02353	0.6
247.05984	1.6
249.03885	0.5
251.07246	0.4
253.04903	1.5
253.08553	1.0
255.02859	4.5
255.06567	0.8
256.03601	0.4
257.04456	3.6
257.08029	0.7
259.06094	0.5
261.03885	1.5
265.08615	1.0
266.06000	0.3
266.09470	0.6
267.02957	1.1
267.06528	1.1
267.10138	0.6
268.07129	1.5
269.04492	0.9
269.07990	0.7
271.06000	1.1
273.03909	3.1
275.05591	0.5
277.08798	0.4
278.05780	0.9
278.09369	0.5
279.06543	1.0
279.09903	0.5
280.07437	1.4
281.04465	1.2
281.08072	2.9
282.08844	5.6
283.06113	1.3
283.09265	0.6
285.03949	4.0
285.07214	0.5
290.09360	0.5
291.10080	0.7
292.07355	1.5
293.04788	0.4
293.08060	6.8
293.11359	0.4
294.05237	1.1
294.08878	3.5
295.06012	1.5
295.09650	2.4
296.06860	2.1
297.04272	0.5
297.07526	8.4
298.08282	1.5
299.05673	0.5
300.07806	0.5
301.08035	0.3
303.05063	0.9
303.10141	0.5
304.07220	1.7
305.08118	1.5
305.11612	0.6
306.05234	1.0
306.08923	2.4
307.06018	1.1
307.09552	6.6
308.06805	8.0
308.10364	2.2
309.07550	100.0
310.08234	8.8
311.05579	0.7
311.09100	7.9
313.07001	0.4
315.10025	0.4
316.07144	0.3
317.08087	0.8
318.08795	3.4
319.00061	0.3
319.09708	2.9
320.06790	1.6
320.10208	0.6
321.07571	47.0
322.08316	19.6
323.05582	1.2
323.09088	12.5
323.12457	0.5
324.06262	0.6
324.09766	0.4
327.05075	0.6
327.08588	3.7
328.07303	0.6
330.08850	0.7
331.09680	2.6
332.06732	1.0
332.10458	2.0
333.07565	3.4
333.11310	1.6
334.08377	5.6
335.09109	45.0
336.06287	1.8
336.09854	17.6
337.06964	3.3
337.10727	8.4
338.07651	0.4
339.08612	96.8
340.08908	2.5
343.09668	1.3
344.10565	0.3
345.07617	1.2
345.11331	0.8
346.08331	2.6
346.11691	0.4
347.09131	12.6
348.09857	1.8
349.06998	2.1
349.10690	22.5
350.07803	5.0
350.11456	1.4
351.08606	30.0
351.12085	1.6
352.09109	1.2
353.06628	0.6
353.10272	2.7
357.11273	0.4
358.08389	0.9
359.09085	4.4
359.12985	0.5
360.06088	0.5
360.09976	2.6
361.06927	1.0
361.10703	15.0
362.07877	1.2
362.11615	0.5
363.08597	46.5
364.09216	3.2
365.10205	37.8
366.10605	1.4
367.08032	1.5
369.09872	1.2
371.08917	2.9
371.12894	0.4
372.10062	0.5
373.10889	1.7
374.07849	1.8
374.11884	0.5
375.08484	23.1
375.12445	3.1
376.09207	1.3
377.10175	10.6
378.10782	0.5
379.08182	1.1
379.11871	14.1
380.12207	0.5
381.09647	3.6
384.09979	0.4
385.10815	1.1
387.08597	8.2
387.13354	0.5
388.09344	2.1
389.10211	16.0
390.10861	0.6
391.07462	1.9
391.11896	1.3
392.08859	0.8
393.09647	73.5
394.09918	2.0
395.11356	0.7
397.10580	0.4
399.08438	3.4
400.09204	0.9
401.10178	5.1
403.12070	6.2
405.09665	33.8
406.10086	1.6
407.11301	3.4
409.09094	0.4
411.10980	1.5
413.10196	1.9
415.07242	0.6
415.12274	3.3
417.09628	28.8
418.10101	1.3
419.11090	2.0
423.10727	45.7
424.11169	1.4
427.11920	1.8
429.09583	4.8
430.10458	0.5
431.11292	4.2
433.13324	0.4
435.10733	24.2
436.11209	0.7
439.10538	0.6
441.11810	47.9
442.12039	1.4
443.11288	1.8
445.13229	1.4
447.10672	6.1
449.12485	1.0
453.11792	30.9
454.12146	1.1
455.11282	1.0
459.11627	8.3
460.10721	0.4
461.12192	0.5
463.13919	1.1
465.11975	0.7
471.12854	77.3
472.13223	3.2
473.12375	0.8
477.11789	9.0
478.12198	0.5
481.14645	0.4
483.11017	1.9
489.11768	3.8
491.13489	0.9
495.12836	41.7
496.13147	1.2
501.11783	4.5
507.12903	4.6
509.14380	0.8
513.13910	28.7
514.14124	1.1
519.12811	7.8
525.13910	24.4
526.14099	1.4
537.13916	27.0
538.14539	1.5
543.06714	0.6
543.15033	10.3
555.14948	32.1
556.15381	1.3
573.16022	27.2
574.16217	1.2
591.17010	13.2
591.26593	0.7
592.17407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
55.05506	22.8
57.03440	5.5
57.07072	19.1
59.04997	9.3
65.03943	4.4
66.29511	5.1
67.05502	39.4
69.03422	20.7
69.07062	28.2
71.04967	7.0
71.53721	10.6
75.04478	13.7
79.05495	37.7
81.03429	16.3
81.07056	72.2
83.05000	36.6
83.08605	12.3
85.06544	9.9
91.05465	48.2
93.07042	74.5
95.04963	31.5
95.08608	87.2
97.06541	25.8
97.10175	4.8
99.04441	9.2
105.07032	77.5
107.08585	93.5
109.06532	22.5
109.10155	78.7
115.05515	5.7
117.07036	16.4
119.08577	100.0
121.06504	13.9
121.10145	78.5
123.08071	20.4
123.11700	31.9
125.06007	9.1
125.09713	4.7
129.07013	15.1
131.08569	39.3
133.06618	5.1
133.10118	78.9
133.13910	4.6
135.08080	12.9
135.11699	37.2
137.09549	5.7
137.13268	12.4
139.07562	12.8
139.11101	6.0
141.07036	5.8
142.07768	5.1
143.08600	26.3
145.10117	52.5
147.08044	9.7
147.11690	50.5
149.09634	13.2
149.13271	20.6
151.07590	5.0
151.11186	7.8
153.12769	4.8
155.08513	11.0
156.09351	6.2
157.08875	8.3
157.10147	38.4
159.08003	6.0
159.11696	59.8
161.09660	15.0
161.13237	31.7
163.11165	13.0
163.14828	7.7
169.10150	19.1
171.11729	27.0
173.09651	14.1
173.13263	45.5
175.11240	14.2
175.14876	28.0
177.12755	11.1
177.16446	6.9
183.11697	21.5
185.13264	40.8
187.11127	6.3
187.14841	34.9
189.12787	6.9
189.16342	21.3
191.17949	4.5
193.10286	6.1
195.11723	15.0
195.49762	4.4
197.13243	25.9
199.14766	34.5
200.15561	11.3
201.12813	9.1
201.16350	55.6
203.14445	7.7
203.17937	9.9
209.13254	14.6
211.11368	5.8
211.14832	18.9
213.12775	10.4
213.16386	15.4
215.14406	9.4
215.17926	33.8
217.15921	13.0
221.13264	5.7
223.14844	12.5
225.12839	5.4
225.16446	14.7
227.14423	6.9
227.18021	24.8
229.15857	6.1
229.19492	12.5
235.14699	4.8
237.16313	11.2
239.17839	14.6
241.15903	7.8
241.19598	8.0
243.21100	5.9
245.15414	7.1
249.16383	6.2
251.17871	5.2
253.19675	10.6
255.21098	14.6
265.19415	5.0
267.21069	8.6
269.22626	6.1
293.22574	7.6
295.24100	40.3
297.18283	6.8
311.23792	9.7
313.17728	4.5
313.25369	14.4
319.24353	5.7
321.25824	15.4
333.26083	6.1
335.27350	9.7
339.26810	18.6
353.28290	11.5
363.26974	33.4
375.26953	8.0
377.28525	12.0
381.27945	25.9
381.57019	5.1
395.29352	15.9
413.30289	17.2
415.30597	8.8
433.31027	26.6
434.31183	4.9
439.32281	5.8
451.32135	77.9
455.35522	11.7
465.33521	10.4
469.33212	70.7
483.34641	25.9
487.34399	22.4
515.37152	6.0
535.37482	7.7
553.38843	17.6
571.39526	15.9
589.41272	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.1
55.01868	8.9
55.05503	19.9
55.45960	3.5
57.03426	6.3
57.07071	7.7
61.02928	3.9
67.05512	27.4
69.03433	30.4
69.07069	32.3
70.06592	19.6
71.04990	12.7
71.53735	5.9
72.08154	7.5
73.02914	5.1
79.05505	25.7
81.03427	33.4
81.07056	89.3
83.05000	11.7
83.08619	11.2
84.08154	5.5
85.02906	38.0
85.06536	6.8
86.06087	4.1
86.09713	7.0
87.00838	13.7
91.03992	4.2
91.05477	23.3
93.07034	41.1
95.04955	21.1
95.08613	77.1
97.02885	24.6
97.06524	10.7
97.10167	6.0
99.04465	13.9
105.01852	10.2
105.03397	8.2
105.07035	32.3
107.04964	5.4
107.08600	46.1
109.02872	25.1
109.06525	14.9
109.10159	63.0
111.04436	5.4
111.08086	14.1
111.11726	9.9
117.07029	7.1
119.04966	6.7
119.08590	20.8
120.08125	4.4
121.02888	7.4
121.06507	8.3
121.10149	40.9
123.04389	3.9
123.08102	5.1
123.11698	42.8
125.05991	7.5
125.09641	5.4
127.03916	30.4
127.11166	5.0
129.05505	4.0
129.06943	5.3
129.10239	4.4
131.08589	13.4
132.49481	3.6
133.02823	3.4
133.10150	26.1
135.04381	5.2
135.08061	7.3
135.11676	27.7
137.05974	8.5
137.09579	7.2
137.13206	31.7
139.11180	7.9
143.08562	4.1
145.04976	10.0
145.06447	7.9
145.10115	16.5
147.04434	12.6
147.07930	4.1
147.11707	16.7
149.13210	17.5
151.11176	7.1
155.10670	4.0
157.10114	5.3
159.02916	8.2
159.08052	8.5
159.11610	8.2
161.09653	4.4
161.13318	6.2
163.11183	9.8
163.14827	8.8
165.01826	6.5
165.09076	4.6
165.12764	13.8
165.70270	3.6
167.06995	4.8
171.11642	5.1
173.09619	4.1
173.13301	7.7
175.03902	10.0
175.14879	6.5
177.12746	5.7
177.16394	11.3
181.12231	6.2
183.02922	4.2
185.13278	4.7
189.05423	4.0
189.16371	6.0
193.04994	4.6
197.11700	7.9
201.16408	6.0
203.14401	7.2
205.19580	5.4
207.06522	22.4
214.18024	3.8
219.06569	12.1
247.16982	5.1
255.13934	5.5
259.24200	12.2
269.22797	8.0
271.06003	19.8
287.05389	11.5
287.23724	13.8
305.24756	100.0
305.28201	6.5
323.25745	18.8
339.12222	7.4
341.12314	7.0
342.13376	4.6
413.74374	3.5
518.06653	3.8
590.22626	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	589.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03835	13.5
53.03912	15.2
55.01849	13.8
55.05507	33.8
57.07085	75.6
67.05500	49.4
69.03404	15.7
69.07066	21.9
69.45708	14.7
69.76775	89.3
79.05482	52.7
81.03410	21.1
81.07050	56.0
83.04990	24.6
85.02911	24.9
90.48862	13.8
91.05473	73.3
93.07043	31.1
93.51096	14.2
95.04975	33.8
95.08604	32.4
97.02875	39.0
98.21474	15.4
105.07034	70.6
107.08590	32.0
109.02960	24.6
109.06518	26.0
109.10168	17.6
111.00844	17.3
116.10681	15.9
117.07008	38.1
119.04901	16.5
119.08608	51.3
121.06518	18.6
121.10120	26.4
123.04424	18.5
129.07004	30.3
131.08591	54.2
133.06488	24.7
133.10182	27.0
135.08076	17.8
142.07780	18.3
143.08549	57.1
145.06523	21.6
145.10138	59.2
147.11739	24.8
148.40979	15.2
155.08542	50.1
157.06352	16.0
157.10152	57.1
159.08058	20.5
159.11691	48.4
165.07008	15.5
166.07797	23.3
167.08569	33.9
168.09398	20.8
169.10152	53.2
171.08018	23.9
171.11658	40.8
173.05957	17.5
173.09604	20.8
173.69746	15.2
178.07697	12.8
179.08545	62.3
181.08691	20.4
181.10115	85.7
183.08054	19.5
183.11728	34.0
184.07280	19.1
185.09662	25.1
185.13300	20.6
192.09328	42.3
193.10104	67.2
195.11702	60.8
197.09659	36.8
197.13361	25.3
199.11182	18.3
201.16423	24.8
203.08632	21.0
205.10158	38.6
206.10867	26.8
207.11726	48.5
209.09596	37.4
209.13330	22.8
211.11279	35.8
216.09421	21.4
217.10146	39.8
218.11028	23.0
219.08034	17.1
219.11646	48.1
220.12535	16.9
221.09709	25.0
221.13239	28.7
223.07652	20.8
223.11168	35.6
223.14885	17.7
223.23134	16.6
225.09299	19.4
225.12823	25.0
229.10063	23.4
229.12230	19.3
230.10887	20.9
231.11717	32.1
233.09677	25.4
233.13156	20.6
235.11150	38.6
235.14967	23.0
237.09094	27.0
237.12779	30.0
239.10655	21.6
241.12292	18.1
247.11188	27.9
249.12778	21.7
251.10623	45.6
251.14401	17.9
253.12244	20.7
259.11282	23.3
261.12997	21.0
263.10645	33.8
265.12286	21.9
272.05484	22.6
273.06171	23.6
273.12756	18.6
275.10730	16.2
275.14221	29.2
277.12485	28.5
279.09973	22.3
281.11868	16.1
287.10382	17.2
288.08701	24.4
291.13901	22.1
293.11865	26.3
293.15265	40.1
295.17044	20.2
303.10233	21.3
303.13586	28.5
305.15265	20.3
307.09634	27.1
309.14786	20.7
311.16495	19.5
317.15573	21.5
319.13208	32.3
325.10699	46.9
328.24716	33.0
329.25122	20.6
337.14157	15.8
339.15988	22.5
343.11807	25.3
345.14972	25.6
359.15826	15.9
361.17834	27.0
363.12173	25.5
363.16165	21.9
367.15515	16.7
369.13635	19.7
379.18842	23.9
381.16995	20.5
385.16516	100.0
387.15668	40.5
391.15433	21.9
399.17914	28.8
405.17059	25.9
409.16220	23.1
423.18069	35.8
425.19492	85.0
427.17670	90.1
433.16574	30.1
441.19266	16.1
445.18683	15.6
451.17505	38.7
469.18530	52.4
481.06830	15.6
487.19516	43.4
589.26440	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	17.4
54.98323	13.0
55.01876	22.1
55.05504	28.4
57.07066	71.4
59.04993	17.9
60.53793	14.2
67.05499	45.0
69.03423	14.5
69.07075	18.0
69.31161	12.4
69.89629	62.4
77.81303	11.2
79.05477	53.3
81.07038	36.5
85.06526	20.1
91.05482	59.9
93.07037	45.8
95.04964	28.5
95.08601	20.5
98.21566	13.6
98.33350	13.1
100.80695	14.3
105.07027	67.6
106.10572	14.4
107.08584	100.0
109.06497	16.3
109.10097	12.8
115.05454	15.1
117.07014	37.0
119.08580	47.4
119.73827	14.3
120.79378	12.2
121.10146	21.2
125.02332	13.7
128.06198	27.0
129.07004	40.2
131.08600	55.2
133.06569	15.6
133.10132	37.0
135.08014	21.0
135.11731	23.4
142.06612	17.2
142.07761	26.0
143.08546	62.7
145.06503	24.9
145.10107	59.3
147.08064	22.8
147.11682	18.6
153.06956	20.0
155.08560	41.2
156.09364	19.3
157.06546	13.7
157.10152	54.8
159.08046	29.9
159.11687	58.8
161.06026	17.4
163.11183	17.0
165.06946	31.2
166.07770	21.9
167.08611	31.5
167.37170	15.3
168.09454	15.9
169.10159	73.1
170.10896	16.3
171.08051	22.3
171.11662	32.5
173.09612	24.5
173.13205	21.1
179.08583	36.1
181.08762	31.9
181.10168	32.1
183.11713	45.3
184.07397	26.9
185.09630	27.0
185.13239	17.4
191.08571	21.1
193.10135	55.0
194.10818	16.6
195.07982	18.0
195.11728	45.9
197.09584	21.7
197.13286	33.5
199.11258	16.0
201.12724	14.8
203.08563	28.6
204.09326	29.3
205.10088	21.9
206.10938	19.6
207.11653	47.0
209.09605	27.6
209.13274	36.1
211.11133	23.3
214.12302	37.1
215.08688	17.0
215.14264	28.9
217.10097	20.0
219.11705	35.1
221.09525	14.9
221.13231	30.6
223.11125	22.3
223.14735	19.8
225.12781	19.5
227.10680	16.9
227.14662	20.5
231.11659	14.1
233.13310	19.3
235.11154	22.9
235.14949	14.4
237.09227	17.0
237.12711	24.3
237.16379	18.0
239.10716	16.6
242.11440	21.0
243.17484	16.6
247.14708	19.8
249.09154	18.8
249.12840	23.1
249.16438	16.8
251.10684	31.4
251.14258	19.7
253.12433	16.9
264.03415	13.1
265.12234	21.8
273.06216	25.9
275.10870	17.5
275.14108	18.5
277.12131	14.9
284.16702	21.8
288.08688	33.2
291.13849	25.5
293.11832	16.9
293.15240	19.5
301.12540	17.5
303.13843	16.8
307.16934	20.8
317.15344	19.4
319.13351	16.8
321.14847	20.3
325.18143	25.5
329.11710	13.8
335.16516	44.5
337.14313	16.1
351.15363	14.5
353.17444	60.2
363.15674	17.3
391.15512	19.1
399.17902	85.4
409.16577	26.3
409.77481	13.6
427.17551	69.4
487.18799	14.7
589.34552	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	589.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
53.32415	0.9
55.01870	5.3
55.05506	2.2
59.04980	1.8
60.04541	1.0
60.06144	0.8
61.02929	1.1
63.13309	0.7
67.05495	3.0
68.99780	2.4
69.03422	6.2
69.07071	5.6
70.06587	10.0
71.04983	2.5
71.53134	1.4
71.53499	0.9
72.08153	1.8
75.32536	0.8
79.05494	4.8
81.03415	9.6
81.07050	8.6
82.06547	2.0
83.04964	1.4
83.06921	0.9
84.04493	1.3
84.08126	1.9
85.02902	7.9
85.06542	3.3
86.09684	2.5
87.00828	2.0
91.05472	4.0
93.07060	7.5
95.04963	3.2
95.08610	7.2
97.02886	7.8
97.06536	1.9
99.04443	3.3
101.05986	1.0
103.03905	0.9
103.05431	1.3
105.01865	1.3
105.03414	2.2
105.07013	4.0
107.04407	0.8
107.04961	8.1
107.08591	5.2
109.02867	6.6
109.06534	1.6
109.10165	4.9
110.07204	1.4
111.08062	4.9
115.05469	0.9
116.07096	7.2
117.07026	0.8
119.04967	4.0
119.08548	2.6
120.08115	1.4
121.02860	3.1
121.06506	17.3
121.10120	4.4
123.00790	1.1
123.04411	1.3
123.08047	1.5
123.11716	2.5
127.03915	7.7
128.06227	1.3
128.07077	8.6
131.04921	1.4
131.08536	2.1
133.06459	1.1
133.10118	3.4
134.06033	0.9
135.04408	1.9
135.08086	1.1
135.11681	1.4
136.07576	1.7
137.02348	2.3
137.05989	7.8
137.09639	1.8
139.11102	1.0
141.01820	12.6
145.04953	3.1
145.06528	1.2
145.10107	1.8
146.05945	0.9
147.04420	7.6
149.13216	1.4
151.03862	1.2
151.11147	1.0
153.01831	2.7
153.12735	0.9
155.10594	1.2
157.10089	1.8
159.02919	1.7
159.04399	0.9
161.05959	1.3
161.09663	1.1
163.03885	1.4
163.07492	1.0
164.07121	1.4
165.01837	94.8
173.09601	1.5
175.03877	3.0
175.07497	4.1
179.03352	3.4
183.02892	100.0
184.03239	1.4
191.03374	4.8
202.07985	1.0
203.08553	0.9
205.04976	2.1
207.06541	6.3
213.05528	1.0
221.08083	21.6
239.09155	8.5
243.06454	1.1
269.23141	0.9
271.06018	2.5
273.07574	6.8
273.14935	0.8
285.07581	87.1
286.07877	2.4
287.05435	3.3
287.23642	1.4
291.10193	1.5
305.24686	3.3
311.12689	1.1
319.81775	0.9
323.12671	1.5
323.25742	1.2
332.13367	1.5
341.13843	64.7
342.14209	1.7
350.14435	2.4
351.14746	2.6
414.82913	0.9
469.13541	1.0
486.08945	0.9
589.27710	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91563	0.3
52.98073	0.4
53.03918	1.1
55.01873	4.6
55.05491	0.6
57.03426	0.5
57.43254	0.3
59.05007	0.4
61.02919	0.7
67.01868	0.4
67.05502	1.0
68.99777	2.3
69.03077	0.6
69.03428	5.9
69.07054	1.5
69.54502	2.2
70.06599	0.4
71.04981	0.9
73.02916	0.8
73.22826	0.3
74.25148	0.3
79.01833	0.7
79.05471	0.4
81.03422	5.5
81.07034	1.2
83.04955	0.4
85.02901	8.8
87.00830	2.8
90.15554	0.4
91.05476	0.8
92.99782	0.5
93.07030	1.1
95.04962	0.5
95.08604	0.8
97.02902	5.8
99.00805	0.6
99.04443	1.5
103.03967	0.4
105.01865	1.7
105.03416	0.4
105.07013	1.1
107.04960	4.1
107.08553	0.7
109.02877	5.1
109.10117	0.7
111.08087	1.6
117.01884	0.3
119.04934	1.4
121.02889	0.6
121.06505	10.4
121.10132	0.6
121.46687	0.4
123.00797	1.2
123.11700	0.6
127.03915	7.3
129.01840	0.8
131.08545	0.5
133.06523	0.5
133.10101	0.6
137.02350	2.2
141.01822	10.0
145.04965	2.7
145.05963	0.4
147.04402	7.1
153.01828	9.5
159.02899	2.9
159.04048	0.5
163.03883	0.6
165.01836	100.0
166.02196	1.0
171.02940	0.7
179.03387	2.0
183.02888	80.5
184.03131	0.8
191.03394	6.8
207.02847	0.6
207.06482	0.5
221.08098	45.3
222.08366	0.5
231.04881	1.8
239.09052	1.9
243.06549	1.0
247.09676	1.6
251.01906	0.5
273.07602	6.2
285.07568	65.1
286.08008	1.3
305.24673	0.6
323.25833	0.7
327.08551	1.1
339.08917	0.5
341.13846	29.3
342.14130	0.6
365.10364	0.4
413.06519	0.5
447.12576	0.5
497.11063	0.4
515.11383	0.7
533.12891	18.1
534.13232	0.8
589.19189	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01624	0.4
55.01868	3.9
57.07063	0.6
59.04990	0.6
59.23273	0.3
62.71765	0.3
67.05499	0.4
68.99787	1.6
69.03426	2.3
69.07058	1.3
69.95035	0.3
69.95371	1.6
79.01842	0.7
79.05493	0.3
81.03415	2.3
81.07050	0.5
85.02903	2.0
87.00820	0.8
90.72444	0.3
91.05480	0.7
92.99756	0.7
93.07025	0.9
97.02892	4.8
97.17255	0.3
98.21530	0.3
99.00801	1.3
99.04425	0.3
105.01873	0.4
105.07034	0.5
107.04958	6.8
107.08560	0.4
107.30872	0.4
109.02872	1.1
109.10127	0.5
111.08067	0.9
119.04928	1.0
121.02883	0.4
121.06505	13.6
123.00809	1.4
127.03916	1.4
127.76289	0.3
135.04453	0.4
137.02339	1.9
141.01823	12.1
145.04924	0.4
147.04396	5.0
153.01839	2.9
163.03893	0.5
165.01833	100.0
166.02206	1.1
169.06479	0.6
171.02934	0.5
179.03395	2.9
183.02888	82.3
184.03223	1.2
191.03400	3.9
197.06023	0.5
206.04486	0.5
206.32953	0.3
213.05582	0.3
221.08087	19.5
239.06958	0.6
239.09137	4.5
243.06586	1.1
247.09744	0.4
267.06500	0.7
273.07559	6.6
285.07568	76.0
286.07892	1.7
287.05392	0.3
341.13828	59.9
342.14023	1.6
351.12177	0.3
358.45389	0.3
469.13797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.9
57.07043	5.6
67.05488	19.6
69.07063	8.7
71.54066	6.1
79.05478	6.3
81.07054	29.5
85.06535	16.2
91.05516	5.8
93.07030	12.3
94.04297	5.2
95.08562	8.8
109.10114	8.4
121.10123	10.4
138.48724	5.2
150.39212	5.4
175.02533	8.7
175.03928	100.0
177.05472	17.6
187.03931	17.7
189.05478	16.3
203.03421	5.4
203.06963	9.0
229.08582	34.4
231.10211	14.2
241.08582	23.1
243.10133	19.1
247.09628	88.9
255.10257	7.3
274.17908	5.8
295.13425	6.7
313.14276	38.2
318.70615	6.7
331.15408	73.9
349.16479	7.9
371.27982	5.0
420.04126	6.2
473.37698	5.3
479.99734	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	588.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10337	1.0
55.05509	8.3
56.95774	1.4
57.07067	3.4
63.69538	1.1
65.03941	3.6
66.66826	1.2
67.05508	15.8
69.07072	5.5
69.52035	7.7
71.04993	1.4
79.05482	4.1
81.07056	18.9
85.06540	14.4
85.07037	1.8
85.85394	1.1
87.16559	1.1
91.05489	2.6
91.90900	1.1
93.07063	6.9
95.08615	7.1
98.20768	2.4
105.03364	1.5
105.07037	2.2
107.08575	4.6
109.10192	6.0
121.10126	11.0
123.11684	1.5
131.04881	2.8
135.11649	2.8
145.97086	1.2
147.04424	6.6
149.13271	4.4
159.04399	4.5
163.03931	4.0
169.27966	1.1
173.05980	1.3
175.03903	100.0
176.04318	1.9
177.05484	12.7
187.03888	22.9
187.07518	3.3
188.49991	1.3
189.05486	9.0
199.03882	4.6
201.05441	4.9
203.03378	4.0
203.07037	2.9
205.19612	1.2
210.97878	1.6
213.05431	2.1
213.09050	1.3
215.07062	2.2
217.04951	1.4
217.08556	2.0
226.06235	5.5
227.07005	2.5
228.07874	1.8
229.08582	26.9
231.10143	13.6
241.08595	18.3
243.10149	23.1
245.08055	3.5
247.09657	94.7
253.08627	2.5
255.10211	3.9
259.09708	8.0
265.10739	2.1
295.13275	9.0
313.10938	2.2
313.14325	28.9
331.15393	64.8
332.15527	2.2
349.16592	6.1
386.39331	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68602	0.2
68.63378	0.2
69.07039	0.9
69.41983	1.1
69.42395	0.5
81.03375	0.2
81.07030	0.4
90.02282	0.2
91.05428	0.2
109.02869	0.3
127.03889	0.3
133.23346	0.2
153.89430	0.2
166.04994	0.9
226.05064	0.4
244.06050	0.3
247.40601	0.2
256.06094	0.3
260.05460	0.3
264.06580	0.7
268.06055	0.5
272.05524	2.1
282.07599	3.2
284.05515	6.6
285.06067	0.2
292.06076	0.5
296.05560	0.8
296.09210	1.4
297.06329	0.7
297.09961	0.8
298.06982	0.4
298.10349	0.4
307.08344	1.5
308.09155	4.5
310.07092	41.1
311.07394	1.0
318.13770	0.2
322.10779	1.9
324.08694	1.9
325.09451	9.6
326.10144	0.3
340.11792	100.0
341.12115	3.4
416.91980	0.2
502.17105	0.6
544.18134	4.8
588.17096	36.0
589.17609	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
51.80526	0.4
53.03938	0.8
55.05486	0.5
57.03408	0.9
57.07079	1.2
59.04978	0.7
60.04520	0.5
61.02912	0.7
65.03919	1.3
67.05484	1.8
69.03423	2.6
69.07055	1.9
69.59158	0.5
70.02955	1.5
70.06585	3.4
72.04214	0.4
72.04523	4.9
73.02912	1.7
73.30930	0.5
79.05504	1.1
81.03406	4.4
81.07042	1.0
82.06565	0.6
83.04990	0.8
84.08118	1.1
84.47464	0.5
85.02892	2.3
85.06087	0.5
85.06526	3.2
86.09705	1.2
87.08103	0.8
90.05556	31.3
91.05476	19.4
92.05856	0.6
93.07014	0.8
95.04960	3.4
95.08569	0.7
96.08116	0.6
97.02885	1.1
97.06516	0.7
98.02401	4.3
98.09689	1.0
98.20704	1.2
99.04448	0.9
99.08051	0.6
100.03949	1.1
103.05446	1.2
103.07579	2.0
105.03377	1.2
105.07072	0.6
107.04957	0.9
107.08570	0.5
109.02869	2.2
109.10127	0.5
113.05994	1.0
116.03446	5.4
116.07063	0.9
119.04938	28.1
120.05247	0.6
121.02859	0.9
124.07590	5.9
127.03920	2.1
128.07066	1.9
129.03354	0.6
130.06430	0.5
130.08684	0.6
132.02039	0.8
133.02855	0.7
135.04387	1.0
136.05304	0.6
136.07599	0.8
142.08646	3.2
145.02843	0.8
146.06068	0.6
147.04408	29.1
149.02362	0.9
151.03873	0.9
154.08632	1.1
157.03989	2.6
160.07574	0.6
160.09627	0.8
164.58351	0.5
166.08636	0.8
175.03903	45.9
179.07031	2.2
184.09688	6.9
191.07027	0.8
192.04231	0.6
202.08655	8.5
202.10744	13.4
207.06526	100.0
208.06805	1.9
212.16440	0.7
220.09705	10.4
220.11755	62.7
221.12196	1.2
225.07561	0.7
257.82788	0.5
287.12820	0.9
305.13818	2.4
343.00912	0.6
351.10660	4.6
358.98401	0.7
364.16196	0.7
369.11810	7.7
371.95593	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.2
55.01867	10.3
55.05508	10.0
57.03436	6.2
57.07060	5.0
61.02922	3.7
67.05505	22.0
68.99770	2.4
69.03426	31.6
69.07068	24.0
69.61719	16.5
70.06589	7.9
71.04990	10.7
73.02904	3.9
76.44290	2.6
79.05497	14.4
81.03417	26.4
81.07056	49.4
83.01328	2.4
83.04996	6.4
83.08616	4.6
84.08176	5.3
85.02906	43.4
85.06547	16.8
86.09713	4.7
87.00838	15.8
91.05478	18.6
93.07054	26.9
95.04971	9.7
95.08608	36.6
97.02888	17.3
97.06523	6.5
97.10167	4.1
99.04451	10.3
99.08105	4.1
105.01870	10.2
105.03400	6.3
105.07021	34.9
107.04980	6.7
107.08591	29.5
109.02864	23.2
109.06528	9.1
109.10159	35.3
111.04464	4.5
111.08112	12.4
111.11724	2.4
117.01849	4.4
117.07012	12.3
119.04952	6.6
119.08588	37.4
120.08154	3.4
121.02852	4.1
121.06512	5.4
121.09317	3.6
121.10147	27.6
123.04412	2.8
123.08077	6.2
123.11714	39.8
125.09615	5.1
127.03928	35.6
129.01811	4.3
129.06976	4.4
131.04845	2.7
131.08542	16.9
133.06441	2.3
133.10129	22.8
135.08061	5.9
135.11673	13.8
137.06010	4.2
137.09624	10.6
139.07558	3.0
139.11188	7.8
143.08588	7.7
145.04990	9.7
145.10129	30.8
146.50554	2.6
147.04390	3.3
147.08076	3.3
147.11673	18.9
149.09647	8.7
149.13257	5.1
151.03920	3.1
151.11179	6.0
153.05823	3.2
157.10152	7.0
159.02898	8.9
159.08101	3.6
159.11681	59.0
159.12881	4.3
161.09589	15.1
161.13268	23.8
163.11172	6.2
165.09195	5.4
165.12848	3.9
167.07039	4.6
171.11714	2.9
173.09676	2.9
173.13263	9.5
175.03896	4.5
175.11153	3.1
175.14830	14.8
177.05470	4.9
177.12814	8.5
177.16359	6.4
179.10751	4.2
181.04922	3.2
181.69086	2.2
183.11703	4.9
185.13272	2.6
187.14749	3.9
189.03957	2.5
191.14427	3.7
193.05054	2.5
193.12247	3.3
197.13179	2.9
199.11177	3.3
201.16385	89.9
203.17958	12.7
205.15906	2.6
207.06500	11.1
213.03969	2.9
219.02893	29.7
219.06535	10.0
219.17436	100.0
220.17648	2.5
221.15788	2.5
229.08411	2.3
229.16039	3.5
231.04982	6.9
235.16963	3.3
237.03990	4.9
237.18549	10.1
247.16991	4.2
267.21167	2.8
271.06085	3.9
284.09201	5.3
285.22217	12.4
287.05469	4.0
303.23175	24.6
321.24200	22.5
324.12418	2.5
339.08640	7.0
339.12308	3.8
339.25348	4.0
405.99942	2.7
467.22595	5.3
521.27490	2.5
581.43872	2.6
587.21765	3.8
587.29492	8.3
588.19818	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	587.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
53.57470	1.8
55.01889	1.9
55.05509	5.2
57.07080	40.9
59.04999	5.6
65.03940	2.1
67.05509	5.2
68.26335	1.5
69.03429	7.3
69.07079	3.3
69.36776	4.5
69.37189	11.2
71.04996	5.5
79.05509	9.9
81.07076	5.0
83.04990	3.8
85.06546	7.9
91.05481	16.9
93.07059	8.8
95.01346	4.1
95.04980	5.7
95.08600	3.2
97.02932	4.3
99.04463	22.4
103.05480	7.1
105.04550	2.0
105.07033	24.9
107.04981	3.2
107.08620	5.6
109.06508	8.8
109.10188	3.3
110.00005	1.9
111.04446	3.6
114.39219	1.8
115.05477	5.0
117.07024	8.7
119.04936	4.7
119.08586	21.2
121.06541	6.3
121.10199	4.1
123.08076	2.0
125.02356	23.2
127.03943	8.0
128.06271	4.1
129.07040	10.7
131.04974	3.2
131.08588	14.0
133.06493	13.9
133.10153	7.2
135.08057	13.8
135.11729	2.5
141.07074	2.0
142.07816	4.1
143.08563	17.9
145.06509	7.3
145.10114	15.3
147.04379	2.4
147.08076	6.6
147.11736	4.8
149.05995	3.0
149.09683	3.4
151.07573	3.2
153.06995	1.9
154.07814	2.1
155.08568	8.6
156.09378	2.8
157.10121	10.4
159.04434	4.5
159.08098	6.9
159.11732	8.2
161.05978	5.7
161.09621	4.0
161.13329	5.7
163.07570	7.6
165.07007	4.3
167.08598	6.0
168.09370	2.6
169.06358	1.7
169.10178	7.9
171.08083	12.5
171.11703	7.7
173.05998	3.0
173.09648	2.1
173.13300	3.5
175.07593	3.9
175.11163	3.0
177.05565	3.6
177.09050	2.2
178.07841	3.5
179.08603	4.6
180.09364	2.4
181.10176	6.7
183.08119	4.1
183.11775	7.5
185.06061	2.5
185.09698	6.2
185.13246	4.7
187.03979	7.1
187.07568	3.1
187.11209	4.4
189.09174	3.6
189.12869	2.3
191.07040	17.5
191.08530	3.3
192.09380	4.1
193.08630	12.0
193.10165	7.0
195.08095	3.6
195.11679	9.0
197.09709	4.9
197.13316	2.2
199.07559	3.5
199.11278	3.7
201.09128	2.3
203.06898	2.3
203.08635	4.8
204.09433	2.3
205.08557	3.6
205.10231	4.4
206.11066	3.4
207.11737	9.2
209.09708	6.4
209.13315	6.9
211.07556	2.1
211.11230	4.4
213.12830	1.9
215.08769	2.6
216.09378	3.3
217.10239	4.0
218.10925	4.4
219.06471	14.6
219.11775	5.4
220.09012	2.3
220.12459	2.1
221.09645	4.2
221.13359	3.6
223.07553	2.4
223.11223	4.1
223.14760	2.4
225.09270	2.8
225.12819	3.7
229.12312	3.0
231.11893	3.3
232.12517	2.2
233.09727	3.9
233.13284	3.4
235.11230	9.4
237.07530	3.6
237.12810	4.3
239.10706	4.5
241.12228	1.9
243.11905	2.6
245.09729	2.3
246.10449	1.9
246.13914	2.0
247.11142	3.0
247.15125	2.7
249.12755	2.8
251.10754	5.7
251.14580	2.1
253.12407	2.8
255.10233	2.9
258.10403	2.4
261.12833	6.8
263.10626	3.3
263.14349	2.6
265.15994	3.3
267.13904	3.9
273.12738	3.4
275.14484	5.3
277.12286	3.4
277.15897	5.6
279.13943	4.4
283.13492	2.4
285.12567	2.1
289.12250	3.7
289.15759	2.5
291.13861	4.3
293.15479	6.9
295.13629	2.5
295.17004	2.7
301.18274	2.7
303.13855	7.9
303.17331	4.2
305.15311	3.9
307.16940	3.3
309.11349	2.7
309.14914	2.4
309.18591	2.6
319.13379	2.5
319.17014	2.6
321.14975	6.2
323.12912	2.6
323.16550	5.2
331.13370	4.2
333.14969	3.5
333.18524	3.1
335.16379	2.5
339.12369	5.4
347.12762	2.4
347.16605	3.5
349.14429	6.0
349.18024	6.2
363.15808	3.8
363.19864	3.4
365.17340	12.1
367.15396	4.2
381.16949	8.0
381.21130	3.4
383.18503	22.0
389.17630	5.6
391.15466	8.3
395.14941	2.7
397.20044	3.7
399.18057	4.5
405.20639	4.6
407.18640	6.6
409.16364	10.3
421.20242	4.0
423.21674	15.5
425.19601	17.8
427.09732	1.7
427.12094	2.7
427.17627	23.0
431.18823	3.3
439.21179	2.4
441.22699	22.0
443.20819	3.8
449.19699	6.1
457.22162	5.6
467.20587	9.1
485.21735	47.5
587.28589	100.0
588.28668	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	587.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.8
55.01866	3.9
55.05518	3.5
57.07081	51.9
59.04995	7.8
65.03938	2.1
67.05497	5.3
69.03430	7.7
69.07076	7.9
71.04997	6.2
72.77398	1.7
72.79884	1.5
73.71569	1.5
79.05482	9.7
80.26332	1.7
81.07052	11.6
83.04965	3.1
83.08649	2.5
85.02911	3.3
85.06543	6.0
91.05487	21.4
93.07050	12.7
95.01315	3.5
95.04973	8.9
95.08598	6.5
95.73335	1.6
97.02887	4.6
97.06522	2.3
97.10129	2.2
99.04465	24.1
103.05461	6.0
105.07034	27.7
107.04973	4.0
107.08604	11.3
109.06522	10.0
109.10181	5.0
111.04447	6.2
111.08119	2.0
115.05450	3.8
117.07043	10.2
117.07738	1.7
119.04957	7.2
119.08587	18.3
121.06506	6.3
121.10143	6.1
123.08078	4.0
123.11743	2.0
125.02361	28.1
125.06000	4.1
127.03941	9.3
127.74529	1.7
128.06239	7.8
129.07010	9.9
131.04921	5.7
131.08592	15.5
132.05713	2.5
133.06459	12.0
133.10153	7.6
135.08063	12.3
135.11726	3.6
139.03990	1.8
139.73250	1.8
141.06940	3.8
142.07750	3.5
143.08563	19.0
145.06483	8.2
145.10124	16.2
147.04440	2.5
147.08057	6.7
147.11688	8.4
149.05998	4.2
149.09599	2.3
149.13246	2.4
151.07573	2.8
152.06229	1.7
153.07013	3.9
154.07698	2.2
155.08562	11.0
156.09341	5.7
157.06393	1.9
157.10149	12.0
159.04446	4.4
159.08086	6.4
159.11728	7.7
161.05992	6.8
161.09682	6.4
161.13293	3.4
163.07542	10.0
165.05521	1.7
165.07002	4.7
165.09091	2.7
166.07819	3.6
167.07300	2.4
167.08563	9.2
168.09389	4.2
169.06535	3.5
169.10127	11.7
171.08064	7.6
171.11697	10.6
173.06015	4.9
173.09625	4.5
173.13293	3.2
175.07562	2.5
175.11224	2.5
176.04785	2.6
177.05504	3.9
177.09186	2.3
178.07779	3.3
179.07158	2.4
179.08572	6.9
180.09277	4.1
181.10144	9.4
183.08054	3.3
183.11667	9.1
185.09622	4.5
185.13316	7.8
187.03955	7.8
187.07503	2.0
187.11177	4.3
189.05515	2.7
189.09109	3.9
189.12747	2.8
191.07068	13.7
191.08565	3.2
192.09399	6.0
193.08568	7.5
193.10185	10.1
194.10950	3.8
195.08142	2.7
195.11639	9.5
197.09659	5.9
197.13213	3.9
199.07487	2.5
201.09094	1.9
201.12764	3.8
203.08577	2.7
203.10564	2.1
204.09447	3.4
205.08540	3.0
205.10228	6.6
206.10942	2.3
207.11743	9.2
208.08830	3.7
208.12367	2.5
209.09682	5.9
209.13312	6.3
210.10503	2.8
211.11241	6.1
211.14833	3.0
213.09177	3.1
213.12857	3.1
216.09439	3.0
217.10168	6.9
217.12061	2.0
219.06447	12.1
219.11685	5.2
219.13693	2.0
220.12477	2.2
221.09674	4.4
221.13269	6.7
222.10461	2.9
223.11240	5.9
223.14810	3.0
225.09068	3.3
225.12721	4.2
227.10771	2.6
227.14281	2.0
229.10286	2.7
229.12323	2.9
230.10919	3.6
231.11702	6.2
232.12512	3.9
233.09702	4.7
233.13231	8.0
234.14151	2.9
235.11221	5.6
235.14914	4.9
237.12808	4.7
237.16408	1.9
239.10678	4.4
239.14330	2.3
241.12274	2.2
243.11790	4.5
244.12375	2.6
245.09711	2.3
245.13470	2.8
246.10559	2.6
247.11098	3.5
247.14827	5.5
249.12842	4.3
249.16432	5.9
251.10649	4.2
251.14449	2.9
253.12395	3.9
257.13364	2.4
259.11163	2.3
259.15057	2.5
261.09372	1.7
261.12579	7.9
263.10806	2.6
263.14395	3.4
265.12265	4.7
265.15619	2.2
267.13818	2.0
273.12854	2.3
275.14294	5.6
277.12280	3.7
277.15891	3.4
278.12750	2.0
279.10245	2.3
279.13712	2.6
283.16904	2.0
289.12402	3.3
291.13788	4.9
291.17453	2.4
293.11871	3.6
293.15396	5.2
295.13446	2.2
295.16898	3.1
303.10455	2.0
303.13766	5.7
305.15402	2.3
307.13422	3.6
307.16937	2.1
309.14999	2.3
309.18610	2.4
317.11743	2.1
319.17242	2.1
321.14960	6.3
321.18494	3.3
323.16522	5.0
325.21689	2.2
327.12381	2.1
331.16782	2.4
333.14911	3.2
333.18381	2.5
337.10846	3.6
337.18246	3.7
338.11063	4.7
339.11929	6.7
339.15924	2.1
347.16492	3.4
349.14325	5.5
349.18039	3.1
351.19604	2.3
355.18933	2.0
361.18173	3.4
363.16031	4.2
363.19980	2.2
365.17566	7.7
367.15656	5.1
379.19196	4.0
381.16571	3.6
381.20972	3.3
383.18539	16.1
389.17322	3.4
391.15472	5.1
397.20087	2.3
405.20334	2.4
407.18701	5.6
409.16525	7.7
421.20163	1.8
423.21768	10.8
425.19647	16.0
427.17685	14.1
439.21408	2.4
441.22806	17.2
443.20517	2.3
449.19644	3.2
449.30380	2.4
457.22144	5.6
459.31055	1.9
467.20770	5.4
485.21790	41.9
541.60455	1.9
587.28546	100.0
588.28931	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	587.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17015	1.6
53.03954	2.5
55.01863	2.6
55.05508	2.3
57.07076	49.6
59.04997	6.2
67.05521	8.1
69.03436	9.8
69.07062	5.8
69.71990	7.5
71.04996	5.0
79.05502	10.7
81.03420	3.1
81.07053	9.3
83.04988	4.8
83.08612	2.2
84.36696	1.3
85.02908	1.9
85.06556	5.6
91.05485	18.8
93.07055	10.0
95.01343	1.9
95.04982	7.2
95.08608	5.4
96.48927	1.6
97.02898	4.7
99.04465	22.5
103.05489	8.4
105.07040	26.9
107.04951	4.2
107.08607	10.5
109.06513	8.7
109.10153	3.8
110.00084	2.7
111.04443	4.0
115.05461	2.6
117.07039	7.3
119.04970	5.1
119.08585	14.6
121.06515	6.4
121.10204	5.8
123.04397	2.1
123.08083	2.0
125.02361	26.0
127.03922	7.3
128.06245	6.0
129.06996	10.2
131.04944	4.2
131.08586	11.7
132.05713	2.3
132.61804	1.7
133.06485	10.6
133.10132	8.3
135.04459	1.8
135.08054	10.8
135.11757	3.0
137.05952	2.2
139.03885	2.1
141.07010	4.9
142.07822	5.5
143.08560	17.1
145.06473	8.3
145.10136	12.2
147.04433	4.0
147.08081	6.8
147.11716	6.8
149.05954	4.1
149.09656	2.3
151.07553	2.1
153.07028	4.5
154.07817	2.0
155.08562	9.9
156.09370	2.7
157.06470	2.7
157.10124	11.0
158.10779	1.7
159.04477	2.3
159.08080	6.4
159.11713	6.5
161.06020	6.2
161.09679	3.7
161.13264	4.8
163.04025	3.0
163.07582	9.9
163.11075	2.2
165.07076	3.6
165.09140	2.7
167.08606	7.1
168.09383	3.3
169.08894	1.6
169.10143	9.8
171.08040	10.9
171.11731	7.2
173.06036	3.3
173.09622	6.4
173.13202	1.9
175.07568	4.0
176.04790	2.5
177.05482	6.5
177.09041	2.2
179.08589	7.4
181.10097	8.9
183.08095	5.0
183.11732	6.2
185.06067	2.7
185.09621	4.3
185.13272	5.5
187.03972	4.5
187.07588	2.1
187.11226	3.0
189.09137	3.3
189.12888	2.1
191.07065	16.0
191.08583	3.9
192.07755	2.0
192.09369	4.1
193.08582	7.5
193.10197	9.7
194.10939	2.3
195.08122	4.0
195.11736	10.1
197.09698	6.0
197.13312	3.5
199.07565	2.2
199.11127	1.7
201.09210	3.3
201.12767	2.7
203.03601	2.0
203.08676	2.4
203.10556	2.2
203.14282	2.0
204.09325	2.3
205.08528	3.0
205.10199	5.1
206.10997	4.1
207.08148	2.8
207.11765	6.9
209.09666	6.4
209.13307	4.5
211.07443	1.9
211.11235	5.2
213.09187	3.0
217.10156	4.2
218.10968	2.4
219.06467	14.6
219.08275	1.8
219.11755	8.1
220.12482	2.2
221.09711	3.9
221.13219	3.3
222.10260	2.4
223.14804	2.4
225.09093	3.4
225.12906	3.7
227.10735	3.4
229.12161	2.1
230.10959	2.3
231.11913	3.6
233.09753	2.8
233.13269	4.7
235.11195	7.2
235.14876	3.7
237.07552	5.0
237.12883	5.1
237.16373	1.9
239.14211	1.9
244.12514	2.1
245.09657	2.1
245.13440	3.5
246.14091	1.9
247.11169	4.9
247.14877	4.0
249.12762	5.5
251.10757	5.3
251.14363	3.4
253.12355	3.4
255.13850	2.5
258.07721	3.1
259.11157	2.0
259.15121	2.5
261.12802	5.9
263.10968	4.3
263.14304	4.1
265.12463	2.0
265.15991	3.0
272.11884	2.2
273.06427	2.2
273.12656	2.1
275.10605	1.9
275.14352	4.5
277.09030	1.7
277.12228	3.9
277.15869	6.3
279.10172	1.7
279.13824	3.9
281.11649	2.2
286.06989	3.6
287.14224	2.4
288.08618	2.9
289.12466	3.4
291.13843	4.5
291.17529	2.6
293.15366	5.7
295.13474	1.8
295.17096	3.5
301.14590	2.2
303.13776	3.8
305.12070	2.0
305.15488	4.0
307.13416	2.2
319.13254	3.1
319.16919	3.6
321.11407	1.8
321.14941	4.9
323.12903	2.0
323.16565	3.6
331.13208	2.3
333.14792	3.6
337.10849	3.6
337.14380	2.1
337.17993	3.8
338.11377	4.7
339.11877	9.9
339.16092	3.1
349.14386	4.2
351.15762	2.4
352.17004	2.0
353.17508	2.6
361.18079	3.7
363.15851	2.0
365.17459	9.0
367.15454	4.2
381.16757	3.9
383.18481	17.1
389.17737	2.7
391.15500	2.7
397.20056	2.4
405.20944	2.7
407.18613	5.2
409.16534	7.1
423.21811	8.6
425.19562	18.5
427.17480	12.2
441.22900	15.2
449.19568	2.0
457.22290	4.2
467.20740	6.9
485.21707	41.9
569.23016	2.1
569.31567	2.3
587.28528	100.0
588.29022	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	587.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03151	0.2
55.01860	0.6
55.05500	0.6
57.03423	0.4
58.07428	0.2
60.04530	0.2
61.02894	0.3
65.03954	0.2
67.05479	0.8
68.99789	1.7
69.03429	1.8
69.07078	1.3
69.22590	0.6
69.22994	2.0
70.06592	1.9
70.52394	0.2
71.04972	0.4
72.08145	0.5
75.52308	0.2
77.03912	0.2
79.05498	2.0
81.03436	2.0
81.07055	6.3
83.04980	0.8
84.04532	0.3
84.08125	0.3
85.02910	2.3
85.06548	0.3
85.07642	0.3
85.65570	0.2
86.09686	0.5
87.00817	0.8
87.04482	0.3
89.06028	0.5
91.05493	1.6
93.07037	1.4
95.04951	1.1
95.08603	1.7
97.02908	1.4
97.06445	0.2
98.21517	0.6
99.04436	0.4
103.05428	0.4
105.01851	0.4
105.03424	0.5
105.07026	2.0
107.04951	1.5
107.08592	1.2
109.02862	1.4
109.05802	0.5
109.06519	7.3
109.10132	0.9
111.00793	0.4
111.04417	0.3
112.07583	0.6
115.05434	0.4
117.07010	1.1
119.04962	1.2
119.08585	0.7
121.02871	1.1
121.06490	1.1
123.04423	0.6
123.08071	2.3
123.11698	0.6
124.67413	0.2
127.03901	1.8
128.06192	0.2
128.07120	0.4
129.06955	0.3
131.04884	0.5
131.08574	0.6
133.06432	0.9
133.10159	0.5
135.04419	1.2
135.08043	0.7
135.11678	0.5
137.02318	0.4
137.05997	0.4
137.09563	0.5
139.00255	0.5
140.07048	0.5
143.08583	0.3
145.04903	0.5
145.06499	2.2
145.10136	0.7
147.04419	3.0
147.11699	0.4
149.02382	1.5
149.06009	1.5
151.03934	0.6
151.07520	1.2
153.01854	0.4
153.05402	0.5
157.10091	0.4
159.03082	0.3
159.04439	1.1
159.11667	0.6
161.05981	0.5
161.09628	0.3
163.03856	0.5
163.07549	0.8
165.01814	2.3
167.03415	1.5
167.07007	0.3
171.07965	0.3
173.05972	0.9
175.03891	1.2
176.04610	0.6
176.06978	0.4
177.00281	0.5
177.01845	8.9
177.05460	5.4
179.03374	0.5
183.02863	1.4
185.09637	0.4
190.02541	0.3
191.03339	1.2
191.07079	1.9
193.05060	0.3
195.02864	0.4
195.06488	3.3
201.05441	2.8
203.03442	0.4
204.04201	0.6
205.04962	0.4
207.06497	1.7
211.11154	0.3
219.06520	100.0
220.06918	1.3
233.08067	0.3
237.07556	6.2
245.08063	0.8
261.07642	1.4
271.13474	0.5
284.09125	0.5
285.07532	1.2
287.05576	0.3
297.07779	0.6
297.11157	2.4
303.22971	0.6
321.24222	0.8
327.08615	0.9
339.12256	47.1
340.12659	1.0
342.13400	0.3
381.13339	0.5
384.20319	0.3
405.13181	0.6
431.10034	0.3
447.14346	0.8
533.14355	0.3
587.23389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01867	0.8
55.05498	0.8
57.03415	0.7
61.02903	0.3
62.89414	0.3
63.38835	0.3
65.03928	0.4
67.05514	1.9
68.99779	2.2
69.03437	2.5
69.07053	1.3
69.36230	2.8
70.06582	1.1
71.04980	1.2
73.02906	0.6
79.05499	2.5
81.03419	3.3
81.07063	6.2
83.04971	0.9
83.08578	0.4
85.02912	4.1
85.44373	0.4
86.09674	0.5
87.00823	1.2
87.04443	0.6
91.05476	2.0
93.07041	2.1
95.04955	1.4
95.08611	4.4
97.02898	1.8
97.06516	0.5
99.04450	0.9
103.05484	0.4
105.01859	0.5
105.03410	1.4
105.07050	2.1
107.04963	2.2
107.08601	1.5
109.02876	2.3
109.06530	7.9
109.10149	1.4
111.08051	0.7
111.11688	0.3
112.30952	0.3
115.03956	0.3
115.05450	0.6
117.07014	0.9
119.04941	1.6
119.08575	1.5
121.02829	1.1
121.06516	1.0
121.10152	1.3
123.04396	0.6
123.08076	2.0
123.11678	0.7
126.09135	0.4
127.03896	2.8
129.06985	0.4
131.08585	0.4
133.02835	0.5
133.06441	0.7
133.10130	1.0
135.04466	1.6
135.08122	0.7
135.11685	0.7
137.02226	0.4
137.06020	0.4
137.09630	1.0
139.00258	0.6
139.03900	1.6
142.07716	0.3
143.08560	0.6
145.04924	0.5
145.06491	2.1
145.10150	0.9
147.04404	3.0
147.11682	0.7
149.02359	1.5
149.05949	1.7
151.03903	0.6
151.07535	1.6
151.11108	0.4
153.05444	0.6
153.12758	0.6
157.10152	0.4
159.02917	0.6
159.04416	1.1
159.11697	0.5
161.02408	0.3
161.13232	0.4
163.02576	0.4
163.03925	6.1
163.07530	1.1
165.01831	1.8
167.03459	1.7
167.07016	0.7
169.05013	0.4
171.11792	0.5
173.05974	1.0
173.09589	0.5
175.04005	1.6
176.04706	0.7
177.01859	9.6
177.05444	5.0
179.03398	0.7
181.04968	19.5
183.02899	1.5
187.07536	0.4
189.05432	0.5
190.02547	0.4
191.03401	1.2
191.07069	1.9
193.05026	0.8
195.02856	0.7
195.06551	2.8
201.05455	3.3
201.09174	0.4
203.03375	0.4
203.07048	0.4
204.04156	0.9
205.04958	1.4
207.06528	1.9
212.10596	0.3
219.06540	100.0
220.06915	0.8
223.06027	1.3
237.07593	7.0
245.08125	0.7
247.06001	1.2
257.08011	0.3
261.07651	1.4
271.06067	0.8
271.13187	0.8
285.07635	1.4
287.05551	0.4
289.06992	0.9
297.11295	3.0
303.23184	1.7
309.24289	0.4
312.98175	0.4
321.17007	5.0
321.24216	1.4
327.08496	1.6
339.12289	48.1
339.25293	0.9
340.12701	0.5
381.13312	0.7
393.08368	0.4
405.13382	0.8
411.09253	1.5
447.14432	0.9
467.11322	0.4
474.43304	0.4
549.54010	0.3
587.30261	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01861	1.3
55.05500	0.9
57.03423	0.8
57.86590	0.3
61.02919	0.8
65.66690	0.5
67.05495	0.9
68.99784	2.5
69.03428	5.4
69.07055	0.5
70.06584	0.5
70.47416	0.8
71.04985	0.9
73.02905	1.1
79.05512	1.9
81.03423	4.9
81.07054	5.0
83.04989	0.5
83.77005	0.3
85.02904	9.2
87.00838	2.8
91.05465	1.6
91.27680	0.4
93.07034	1.4
95.04953	0.8
95.08587	1.2
97.02872	2.6
99.04469	2.4
100.96514	0.3
101.14742	0.3
101.85184	0.4
103.03975	0.4
103.05481	0.4
105.01866	1.9
105.07007	1.3
107.04942	1.4
107.08559	0.5
109.02867	5.0
109.06522	8.3
115.05391	0.5
117.06984	0.8
119.04928	1.3
121.02847	1.4
121.06474	0.9
121.10027	0.6
123.08060	2.4
127.03920	8.9
129.07019	0.5
133.06487	0.5
135.04375	1.1
135.08049	0.5
145.04982	2.1
145.06471	1.6
147.04411	5.2
148.05168	0.4
149.02333	1.6
149.05966	1.2
151.07541	2.4
153.05518	0.8
159.02884	2.8
159.04211	0.7
159.11671	0.6
163.03899	0.6
163.07530	0.9
165.01865	1.6
167.03407	2.5
173.05977	1.1
176.04733	0.6
177.01843	10.5
177.05453	4.5
179.03424	0.8
183.02899	0.8
190.02669	0.4
191.03357	0.9
191.07097	2.1
195.02852	1.1
195.06517	3.3
201.05498	2.7
203.03371	0.4
204.04213	1.1
213.03949	0.6
219.06526	100.0
220.06821	1.8
231.04964	1.4
237.07597	5.9
245.08049	1.2
261.07639	1.0
273.34564	0.4
297.11292	1.5
310.07166	0.8
337.10565	1.5
338.11044	1.4
339.12253	41.3
340.11899	2.5
381.13483	1.2
544.97485	0.4
587.16626	1.8
587.31476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
53.94783	0.4
55.01867	0.9
55.05507	0.8
56.05058	0.5
57.03421	0.4
61.02911	0.6
65.03940	0.7
67.05505	2.4
68.99795	1.5
69.03427	2.7
69.07068	2.5
70.06599	2.5
71.04974	0.9
72.08136	0.4
73.02899	0.5
79.05502	2.6
81.03416	3.3
81.07051	7.0
82.40704	0.4
82.95660	0.4
83.04964	0.7
84.04485	0.5
84.08126	0.6
85.02908	4.1
85.06573	0.7
85.07664	0.7
86.09688	0.5
87.00813	1.4
87.04466	0.6
88.97682	0.4
91.05477	2.4
93.07027	3.0
95.04956	2.1
95.08598	5.6
97.02882	1.8
97.06521	0.9
97.10222	0.4
99.04446	1.3
103.05470	0.6
105.01875	0.4
105.03371	1.4
105.07017	2.9
107.04971	1.9
107.08601	2.5
109.02888	2.5
109.06521	7.2
109.10172	2.0
111.08066	0.6
115.05462	0.5
117.06995	1.1
119.04955	1.9
119.08574	1.8
121.02868	1.8
121.06474	1.0
121.10123	1.6
123.04469	0.5
123.08058	2.4
123.11694	1.1
125.05981	0.4
126.09135	0.8
127.03899	2.7
127.11135	0.4
131.04898	0.7
131.08604	0.7
133.02869	0.6
133.06483	1.0
133.10109	1.1
135.04396	0.9
135.08037	1.2
135.11674	0.5
137.05927	0.7
137.09615	1.4
139.00223	0.7
139.03871	1.9
139.11174	0.4
143.08524	0.6
143.10655	0.5
145.04889	0.6
145.06479	1.4
145.10123	0.8
147.04430	3.6
147.11693	0.7
149.02315	1.1
149.05963	1.4
149.09602	0.6
151.03894	0.6
151.07535	1.7
153.05450	0.9
153.12799	0.7
157.06372	0.5
157.10089	0.6
159.02959	0.8
159.04411	1.1
161.09593	0.6
163.03900	6.8
163.07579	0.8
165.01794	2.5
167.03401	1.8
167.07111	0.8
173.05956	0.9
173.09639	0.5
175.03911	1.7
175.07657	0.6
176.04517	0.7
177.01828	9.8
177.05446	5.1
178.05034	0.6
179.03423	0.8
181.04955	19.2
183.02888	1.4
187.03836	0.6
189.05495	0.7
190.02803	0.4
191.03418	0.6
191.07037	2.2
195.02806	0.5
195.06575	2.8
196.67932	0.4
199.14766	0.4
201.05431	3.3
201.16441	0.4
203.03481	0.5
204.04147	1.0
205.04938	0.7
206.04649	0.5
207.06512	2.3
219.06520	100.0
220.06844	1.1
223.05960	1.3
237.07553	7.2
245.07957	1.0
247.06013	1.2
254.17564	0.8
261.07520	1.9
271.06033	0.7
271.13409	0.9
283.05893	0.4
285.07550	1.4
289.07071	1.1
291.23181	0.6
297.11191	2.8
303.23157	1.3
309.24234	1.1
311.66742	0.4
321.16959	5.1
321.24158	2.6
327.08621	1.8
339.12268	46.7
339.25183	1.0
340.12585	0.5
381.13083	0.5
405.13370	0.8
411.09183	1.1
418.25751	0.5
447.14307	0.8
586.34906	0.5
587.28784	0.6
587.36749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67105	0.7
57.07059	1.2
67.05519	0.9
69.07067	1.4
69.30383	7.0
70.02960	0.8
70.06593	1.9
72.04506	2.3
73.02912	1.4
84.04532	0.8
85.02874	2.1
85.06544	2.5
86.09725	0.9
90.05552	37.2
95.04972	2.0
97.02921	1.2
98.02422	3.8
98.20827	2.1
103.07569	2.0
113.05985	1.1
116.03433	5.0
118.06567	4.2
124.07577	4.4
132.08072	1.1
137.05975	13.2
142.08664	3.0
144.08083	3.4
146.06003	15.1
147.06357	1.9
149.05942	1.3
159.09180	1.7
160.09546	1.1
170.06003	1.4
174.11240	1.6
177.05338	0.9
181.06459	0.9
184.09666	9.2
188.07060	23.7
189.07385	4.5
202.10733	14.2
205.09717	10.2
206.09970	2.3
220.11790	100.0
221.11954	0.9
273.11185	6.3
411.13950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03012	0.2
53.03936	0.4
55.01851	0.4
57.03421	0.3
57.07058	0.4
57.67023	0.1
64.80312	0.2
67.05495	0.3
68.99790	1.1
69.03432	1.7
70.07295	0.8
71.04987	0.2
73.02897	0.3
79.05479	0.7
81.03082	0.1
81.03423	1.8
81.06603	0.2
81.07055	3.1
81.13622	0.2
83.04946	0.3
85.02902	2.4
85.06536	0.2
87.00831	0.9
91.05469	0.7
93.07032	0.5
95.08585	0.5
97.02881	0.7
97.21193	0.2
99.04434	0.7
103.05511	0.2
105.01847	0.6
105.07034	1.1
107.04977	1.0
107.08575	0.2
109.02876	1.9
109.06518	6.2
109.10178	0.2
115.05424	0.3
117.01873	0.2
117.07008	0.6
119.04950	0.4
119.08524	0.2
121.02847	0.3
121.06470	0.7
122.84518	0.2
123.08057	1.4
125.02375	0.3
127.03911	2.5
127.10941	0.2
131.04982	0.3
133.06493	0.7
135.04422	0.8
135.08119	0.4
139.00284	0.5
145.04962	0.8
145.06473	1.3
145.10138	0.2
147.02888	0.3
147.04401	1.8
149.02353	1.1
149.05956	1.1
151.07556	1.2
153.05481	0.7
159.02890	0.7
159.04398	0.6
163.07500	0.4
165.01836	1.4
167.03415	0.9
173.05978	0.7
175.03880	0.3
176.04648	0.3
177.01837	8.5
177.05447	3.7
179.03395	0.4
183.02867	0.5
187.05946	0.3
191.03401	0.7
191.07039	1.6
195.02843	0.3
195.06569	1.6
195.08165	0.3
201.05455	2.3
203.03374	0.3
204.04211	0.9
207.43593	0.2
219.06523	100.0
220.06818	1.2
231.04861	0.8
237.07571	4.9
245.08153	1.3
261.07526	0.6
285.07568	0.2
297.11212	1.8
337.10605	0.4
338.11142	0.4
339.12262	28.2
340.12552	0.4
381.13156	0.5
405.24777	0.2
447.13788	0.2
464.36572	0.2
485.21286	0.5
501.17334	0.5
553.96930	0.2
587.17413	4.9
587.28149	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05725	0.5
53.03919	0.8
55.01858	0.5
57.03406	1.3
60.04512	0.5
61.02909	1.2
62.96093	0.6
65.03910	0.9
67.05478	1.1
69.03098	0.4
69.03437	4.7
69.07043	0.8
69.75426	2.4
70.06569	2.3
70.17388	0.5
71.04973	1.0
72.08144	1.0
73.02893	1.5
76.60726	0.5
79.05470	1.4
81.03432	3.4
81.07024	2.0
82.06572	1.1
84.04489	0.6
85.02443	0.7
85.02909	9.7
86.09691	1.9
87.00810	0.6
87.04465	1.1
91.03929	0.6
91.05482	14.8
93.07011	1.8
94.06553	0.7
95.08578	2.0
97.02900	3.9
97.06485	0.7
98.54557	0.5
99.04447	1.1
103.05488	0.6
105.03371	1.6
105.07025	1.1
107.08614	0.7
109.02831	1.9
109.10120	1.4
111.08087	0.6
119.04948	19.6
119.08596	1.0
121.02877	0.8
121.06501	0.9
122.09666	0.6
123.08051	0.7
127.03895	3.2
128.07045	1.8
131.07277	0.8
132.08069	0.9
134.05994	1.4
135.04338	0.8
135.08087	0.6
137.05956	0.6
138.09009	0.6
140.10669	1.8
145.02890	0.6
145.04915	1.2
146.09596	1.4
147.04424	16.9
147.11653	0.6
157.03952	1.5
159.06810	4.6
159.11723	0.5
160.07555	1.0
163.03879	0.5
172.07495	0.6
172.11165	0.9
173.08339	3.2
174.09148	25.5
175.03920	26.9
176.04622	0.6
176.07080	10.0
177.01768	0.5
177.05396	0.9
179.06972	1.0
186.09134	3.6
188.10768	0.7
193.05002	0.8
194.05098	0.5
198.09160	1.8
200.10704	12.2
204.10175	1.5
207.06523	24.0
208.06566	0.6
216.10211	1.9
218.11766	91.5
219.06546	5.8
219.08434	0.6
219.12138	1.9
228.10257	4.3
230.11850	0.8
258.11160	0.7
260.12878	1.6
270.73770	0.5
282.11066	0.6
284.22159	0.6
336.14447	5.5
339.12234	2.3
350.14722	0.7
380.17050	100.0
381.17334	2.3
381.53384	0.5
406.29498	0.9
419.13379	0.6
424.30588	0.8
558.76227	0.6
586.22845	38.2
587.23450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.3
55.01852	0.3
57.03420	0.8
61.02930	1.3
65.03942	1.1
67.05472	0.3
69.02847	0.2
69.03432	4.0
70.06553	0.3
71.04969	0.7
72.31361	0.2
73.02890	1.0
74.50568	0.2
77.03899	0.6
81.03422	2.4
85.02901	6.2
87.04494	1.1
87.04901	0.2
89.03903	0.5
91.05477	17.0
93.03375	0.3
93.07049	0.5
97.02881	3.0
98.20702	0.4
99.04430	0.8
101.02367	0.2
103.05441	0.4
103.40963	0.2
105.03359	0.5
105.07033	0.4
107.04956	0.3
107.08591	0.2
109.02872	1.6
118.04114	0.4
119.04935	27.2
120.05264	0.4
121.02827	0.3
124.50182	0.2
127.03910	1.9
128.07094	1.1
129.03407	0.3
130.06514	0.3
131.04872	0.3
131.07307	0.6
132.02031	1.0
132.08072	1.0
133.02794	0.4
135.04399	0.4
136.05148	0.2
144.08022	0.3
145.02843	0.7
145.04970	0.9
146.09628	1.8
147.04401	24.3
149.02325	0.7
157.03940	2.4
157.08835	0.5
158.05981	0.3
159.06798	5.3
160.07500	0.7
162.03067	0.3
164.04694	0.7
172.07602	0.4
172.11235	1.1
173.08365	2.7
174.09135	27.3
175.03899	37.4
176.04305	0.6
179.07004	1.9
184.07581	0.8
186.09148	2.6
187.09915	0.4
188.10701	0.6
192.04213	0.4
193.05048	0.2
198.09157	1.4
200.10695	14.9
201.11259	0.3
207.06517	28.7
208.06689	0.3
209.70570	0.2
210.09137	0.8
212.10759	0.6
214.08595	0.3
216.10223	1.6
218.11746	87.7
219.12076	1.5
226.08675	0.4
228.10194	4.8
230.11754	0.6
242.11705	0.5
246.11304	0.3
254.11790	0.3
258.11047	0.2
260.12830	1.2
275.32516	0.2
284.12756	0.2
336.14383	5.4
344.14954	0.3
350.14746	0.3
362.16211	0.5
380.17017	100.0
381.17334	2.2
586.22791	37.8
587.23212	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.2
53.03921	0.7
54.65849	0.3
55.01839	0.3
57.03431	0.6
61.02900	0.8
65.03915	0.8
69.03426	2.7
70.06590	1.4
70.13754	0.9
72.08135	0.4
73.02885	1.0
76.31081	0.2
77.03913	0.5
79.05473	0.4
81.03423	1.8
81.92294	0.3
85.02901	5.5
86.09692	0.4
87.04439	1.0
89.03893	0.3
91.03931	0.4
91.05477	12.9
97.02877	2.4
99.04426	0.7
103.05430	0.4
105.03372	0.6
109.02848	1.3
116.07061	0.5
116.71449	0.2
119.04936	20.0
120.05290	0.4
121.02792	0.4
127.03927	1.8
128.07045	1.0
129.03302	0.3
131.07274	0.6
132.02034	0.6
132.08040	0.5
136.05144	0.3
145.02831	0.4
145.04942	0.6
146.09636	0.9
147.04401	16.8
148.04700	0.3
149.02335	0.3
157.03993	1.7
157.08788	0.5
159.06793	3.6
160.01613	0.3
164.04616	0.5
172.11090	0.6
173.08318	2.0
174.09143	17.9
175.03902	29.3
176.04269	0.3
179.07072	1.2
184.07544	0.4
186.09085	2.1
188.10703	0.7
196.07613	0.2
198.09142	1.8
200.10698	12.7
201.11182	0.5
207.06519	24.7
208.06761	0.4
210.09109	0.6
212.10674	0.4
216.10187	1.1
218.11748	68.1
219.12125	1.2
226.12183	0.4
228.10199	5.0
230.11664	0.8
242.11740	0.8
254.11690	0.3
258.11182	0.4
260.12775	1.9
271.05951	0.4
282.11163	0.4
284.12909	0.4
308.13110	0.3
314.13843	0.6
326.13678	0.4
336.14407	2.9
344.14993	0.4
362.16019	0.6
372.44153	0.3
380.17014	100.0
381.17398	3.2
427.77826	0.2
560.03711	0.3
586.22772	33.2
587.23370	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	585.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
55.01879	4.9
55.05518	22.9
57.07072	5.6
58.46701	3.3
60.84100	3.5
65.03918	4.3
65.52847	4.2
67.05509	24.3
69.03426	32.7
69.07072	24.6
69.39749	23.4
69.40160	6.3
70.83400	3.5
71.04990	15.8
79.05491	34.8
81.03398	7.5
81.07065	41.6
83.04977	9.5
83.08614	11.8
85.02901	4.7
85.06542	8.8
87.19646	3.9
91.05487	45.5
93.07048	49.3
95.04968	20.4
95.08607	44.7
97.02879	6.9
97.06517	10.2
97.10152	4.6
98.20798	8.2
99.04446	4.7
103.05465	6.3
105.07035	90.8
107.04966	65.2
107.08604	57.8
109.06522	23.5
109.10155	32.4
111.08064	15.1
115.05478	4.1
117.07000	23.5
119.08585	100.0
121.06496	14.7
121.10152	35.0
123.08058	15.8
123.11688	11.0
125.09634	12.9
128.06226	12.7
129.07034	20.9
131.08580	56.1
133.06525	9.3
133.10133	82.7
135.08051	14.7
135.11685	24.6
137.09608	7.7
139.07581	8.3
140.18044	3.7
141.06958	8.0
142.07829	19.4
143.07492	7.0
143.08559	61.6
144.09343	10.9
145.10118	72.9
145.11163	6.1
147.08070	6.9
147.11694	36.1
149.09631	13.5
149.13258	7.6
151.07600	6.3
151.11185	6.0
153.06999	4.6
153.09047	6.0
154.07753	7.2
155.08549	28.1
156.09352	20.4
157.10136	80.3
158.10811	5.4
159.08038	12.4
159.11702	53.7
161.09627	31.9
161.13226	18.2
163.11201	6.0
165.06973	7.2
165.09129	10.5
167.08495	8.8
167.10548	3.8
168.09370	6.3
169.10152	44.0
170.10905	13.3
171.08086	6.3
171.11688	69.3
173.09673	15.3
173.13245	41.8
175.11191	13.0
175.14883	5.7
177.09166	9.7
177.12743	4.8
178.07845	5.1
179.08571	10.8
179.10736	21.1
180.09334	6.2
181.10152	21.6
182.10854	5.7
183.08148	5.5
183.11697	45.9
184.12415	4.8
185.09660	6.7
185.13261	60.7
187.11227	8.0
187.14757	19.3
189.12656	7.8
191.10762	4.5
192.09291	6.5
193.05042	6.2
193.10135	22.8
193.12213	10.0
194.10918	8.3
195.11710	41.5
196.12531	8.4
197.13269	44.8
199.11220	11.8
199.14867	24.6
201.12784	12.4
201.16386	8.7
203.10780	7.1
203.14355	7.1
205.10146	8.8
205.12167	7.2
206.10895	9.3
207.11725	27.7
208.12357	6.0
209.13255	43.6
209.16518	4.5
210.13963	5.5
211.14857	26.8
213.12775	16.3
213.16437	9.6
215.08775	4.8
215.10745	4.9
215.14270	10.3
217.05008	7.2
217.10335	4.9
217.12276	10.7
218.10851	4.7
219.11671	9.1
219.13797	7.1
220.12480	5.4
221.13239	29.5
222.14053	7.5
223.11206	8.0
223.14818	35.4
225.12785	7.8
225.16391	16.7
227.14276	14.6
227.17941	18.9
229.12212	6.3
229.15874	6.8
231.11707	9.5
231.13828	13.9
232.12497	4.7
233.13232	15.4
233.15398	14.0
234.13992	4.6
235.11214	5.3
235.14803	22.1
236.15678	4.5
237.12791	8.1
237.16505	20.0
239.14220	9.3
239.17967	9.4
241.12187	6.6
241.15797	18.4
241.19537	4.7
243.21165	5.5
245.13124	10.8
245.15523	13.1
246.14020	7.1
247.14865	17.5
248.15527	5.0
249.12646	5.4
249.16418	15.0
251.14357	6.5
251.18019	8.9
253.12306	4.4
253.15826	7.1
255.13823	7.4
257.12982	5.1
257.15482	9.1
259.14764	9.3
259.17139	7.1
261.16373	8.1
263.17944	12.7
265.15866	13.8
265.19601	8.1
267.13962	5.7
267.17441	11.2
269.15433	6.7
269.19070	9.6
273.16254	9.1
275.17935	7.9
277.15906	5.6
277.19489	5.4
279.17526	5.1
281.15567	5.5
281.18872	5.5
283.16949	12.3
285.18521	8.9
287.20242	31.5
289.19479	6.1
291.17340	17.7
291.21124	3.5
295.17014	6.2
297.18533	4.8
305.19080	14.0
305.22638	8.8
307.17062	5.9
307.20657	9.2
309.18600	4.8
309.22095	5.1
315.21112	9.5
319.20428	5.4
323.20221	8.6
323.23608	6.8
325.21640	27.5
333.18524	6.6
333.22141	34.8
337.10645	5.4
347.23840	18.7
349.21515	6.8
349.25479	7.1
351.23129	11.1
352.19931	4.1
357.22153	5.6
363.23001	7.9
365.24728	16.8
375.23141	42.9
376.23904	4.5
379.26526	5.4
393.24243	68.7
405.27808	17.1
411.25342	24.1
419.29538	16.2
423.28839	11.0
447.29129	28.3
465.30118	41.1
471.27374	14.6
483.30847	8.0
525.31726	4.0
585.34631	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	585.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12778	0.1
53.03945	0.3
55.01860	0.4
56.07168	0.1
68.99773	0.6
69.03432	1.8
71.04967	0.2
71.26772	0.2
79.05485	1.2
81.03429	1.4
81.07041	0.4
85.02515	0.1
85.02903	1.6
87.00818	0.6
91.05477	1.2
93.07029	0.6
94.08003	0.1
97.02868	0.7
99.04425	0.5
103.03918	0.2
103.05461	0.4
104.99034	0.1
105.01850	0.5
105.03326	0.2
105.07023	1.6
107.04955	1.6
107.08570	0.2
109.02880	1.4
111.04453	0.1
115.05456	0.5
119.04928	0.7
121.02869	0.3
121.06499	1.0
127.03917	2.9
131.77110	0.2
133.06517	1.5
145.04948	1.1
147.04388	1.6
149.05948	2.2
159.02937	0.8
161.05975	2.5
171.04366	0.4
173.05945	0.4
174.03120	0.4
175.03877	0.6
176.01250	0.2
187.05988	0.4
189.01842	1.6
189.05464	3.8
193.04996	0.5
199.03925	0.2
202.02592	4.2
204.04222	0.3
207.02882	0.3
215.07086	0.2
217.04953	100.0
218.05307	1.6
218.07211	0.2
220.03648	0.7
231.04674	0.3
231.06807	0.9
235.05998	8.6
236.06172	0.2
243.06400	1.6
259.05914	0.8
277.07111	0.6
295.09732	1.5
297.07196	0.2
337.10684	24.6
338.11063	0.8
351.12250	0.3
375.11032	0.2
379.11749	0.9
403.10431	0.3
421.11252	0.4
423.11197	0.2
473.62189	0.2
499.15952	1.0
541.16803	0.3
585.15936	5.7
610.84418	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01852	0.2
57.03424	0.2
61.02916	0.1
65.03931	0.2
65.21392	0.1
65.95696	0.1
67.05484	0.1
68.99784	1.1
69.03435	0.5
70.08556	0.2
70.08891	0.4
71.04971	0.1
73.02898	0.2
79.05492	0.2
81.03423	0.8
81.07034	0.5
85.02905	1.0
87.00823	0.5
91.05493	0.2
93.07027	0.2
95.04941	0.1
95.08636	0.1
97.02875	0.4
99.04442	0.2
101.44484	0.1
105.01881	0.3
105.07038	0.1
105.40188	0.1
107.08578	0.2
109.02852	0.7
109.10146	0.2
117.07024	0.1
119.04935	0.3
121.02008	0.2
121.02863	4.4
127.03914	0.6
145.04979	0.2
145.06442	0.6
157.91495	0.1
159.02901	0.3
163.03900	1.2
173.05986	0.3
173.09636	0.1
175.07518	0.2
191.06871	0.1
193.04988	0.5
201.03575	0.2
201.05455	3.6
219.06548	0.5
229.04832	0.2
253.08540	0.1
255.06314	0.1
255.13702	0.1
269.12897	0.2
272.33832	0.1
276.07855	0.2
279.06555	0.1
283.05960	0.4
293.08038	0.6
294.08887	0.2
295.06119	0.1
301.08292	0.1
304.07449	0.3
305.08075	0.4
307.06055	2.3
308.06604	0.3
309.07626	0.2
319.09637	7.4
320.09811	0.2
321.07568	3.9
322.08347	4.9
335.09189	0.2
336.06210	0.7
337.10669	100.0
338.07260	0.2
338.11035	2.1
473.00537	0.1
502.13794	0.1
541.20203	0.1
585.19452	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81012	0.2
67.05489	0.2
68.99796	1.8
69.03383	0.6
70.43195	0.6
79.05444	0.4
81.03367	0.6
81.07008	0.6
83.04904	0.2
85.02898	1.1
91.05445	0.4
93.07063	0.2
95.04903	0.3
95.08571	0.3
97.02848	0.3
99.41006	0.2
105.06979	0.6
109.02871	0.6
111.04428	0.3
117.06952	0.3
119.04889	0.5
119.08556	0.3
119.68279	0.2
121.02874	7.6
121.03744	0.3
127.03825	1.0
145.06508	1.8
163.03893	1.7
173.05927	0.3
175.07545	0.5
177.05331	0.2
187.05927	0.8
193.04990	0.2
199.07535	0.4
200.54332	0.2
201.05460	6.1
214.75320	0.2
219.06464	0.8
229.04910	0.4
245.09534	0.3
250.30927	0.2
266.00311	0.2
276.07791	0.7
277.08575	0.2
283.05884	0.6
293.07980	1.0
295.05762	0.3
297.07474	0.3
304.07138	0.2
305.08014	0.6
307.05978	4.3
308.06607	0.6
309.07574	0.6
319.09644	13.2
321.07578	7.2
322.08353	6.9
323.08572	0.3
336.06232	1.8
337.10687	100.0
338.10953	2.8
345.66476	0.2
359.56345	0.2
441.07376	0.3
541.16821	2.4
585.16028	19.5
586.15771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.2
55.01861	0.1
61.02903	0.1
68.99792	1.4
69.03431	0.6
69.36162	0.9
71.04954	0.1
79.05447	0.1
81.03423	0.5
81.07009	0.4
82.53244	0.1
85.02859	0.5
93.33316	0.1
95.04955	0.2
97.02847	0.3
99.04408	0.2
105.07003	0.2
109.02894	0.7
109.06483	0.1
117.06988	0.2
119.04881	0.4
121.02866	6.5
127.03917	0.8
129.06949	0.1
145.04930	0.2
145.06432	0.9
151.40625	0.1
163.03900	1.3
173.05980	0.2
175.07518	0.4
177.05449	0.1
187.06024	0.9
195.06537	0.1
201.05472	4.5
219.06450	0.8
229.04927	0.3
255.06396	0.2
267.06564	0.2
271.05920	0.1
276.07791	0.2
277.08383	0.2
283.05942	0.6
293.08029	0.8
295.05893	0.2
295.09576	0.1
297.07309	0.2
304.07391	0.2
305.08041	0.6
307.05975	3.1
308.06711	0.5
309.07599	0.3
319.09656	8.9
320.10031	0.4
321.07574	5.0
322.08344	6.5
323.08731	0.3
335.09094	0.2
336.06293	1.1
337.10684	100.0
338.11053	4.3
338.13998	0.1
379.11911	0.1
541.17072	2.7
542.17255	0.2
585.16028	18.4
586.16321	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24196	7.2
55.05516	9.3
55.79359	7.6
57.07062	24.4
64.30077	7.3
66.43231	6.8
67.05500	21.5
69.03442	8.0
69.07071	18.3
70.92626	13.4
70.92949	11.2
74.22859	7.1
79.05489	17.3
81.07058	25.3
82.84282	6.6
83.08624	13.1
85.06557	8.7
89.06020	20.0
91.05489	43.9
93.07045	63.3
93.57851	7.2
95.04945	11.4
95.08619	39.2
105.07034	78.4
107.07955	8.6
107.08578	43.4
109.06487	13.7
109.10163	17.3
117.07047	10.1
119.08588	74.1
121.06496	9.1
121.10163	34.3
123.08045	9.3
128.06226	12.8
128.90486	7.7
129.07007	23.8
130.07712	10.1
131.08595	50.7
133.08636	10.3
133.10123	48.5
135.11722	17.3
137.09602	8.6
142.07774	18.7
143.08582	35.0
144.09389	8.3
145.10124	60.9
147.08052	12.6
147.11713	10.9
149.09639	15.5
149.13293	8.5
151.07538	13.0
155.08580	15.4
156.09373	23.2
156.67532	8.1
157.10110	68.1
159.11684	46.7
161.13263	10.6
163.11259	8.9
165.09161	28.6
167.08556	15.0
169.10159	24.1
171.11711	34.0
173.13295	20.7
175.11230	13.6
181.10173	12.4
181.12151	8.6
182.10762	9.9
183.11713	29.0
185.13235	12.5
187.14851	11.6
188.20610	7.5
193.10136	17.3
194.10820	8.6
195.11749	15.3
197.13165	20.9
201.12981	10.3
203.14395	21.6
207.11772	14.0
209.13232	15.5
221.13310	12.7
221.15347	57.9
235.14778	10.1
237.12839	10.7
244.12509	7.8
256.26483	8.2
259.17166	8.1
271.20468	8.4
282.93701	8.2
299.19882	16.6
311.29666	10.5
337.21771	13.6
352.24002	71.5
365.24695	13.8
388.56216	7.9
412.29752	21.0
491.35376	19.7
504.35974	100.0
584.42004	24.3
584.55969	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	15.4
55.05500	34.7
57.07068	34.5
59.04988	27.9
65.03907	11.2
67.05503	77.7
69.07063	52.9
70.06588	17.3
70.24850	13.1
79.05481	48.2
81.03400	20.0
81.07057	98.0
83.08619	32.3
85.06533	15.1
89.06026	26.9
91.05454	44.2
93.07038	96.9
95.04928	18.4
95.08606	100.0
98.20709	18.2
98.39446	12.9
100.24718	11.8
104.91136	13.0
105.07033	96.7
107.07977	10.9
107.08582	75.7
108.08887	12.0
109.10146	68.8
117.07013	16.5
119.08569	42.0
121.10121	37.8
123.11669	21.5
129.07018	18.6
130.37527	11.7
131.04929	13.4
131.08542	37.8
133.08548	36.9
133.10117	27.2
135.11688	32.0
137.13246	11.8
142.07800	13.9
143.08562	17.7
145.10114	42.2
147.11757	20.6
149.13293	24.6
153.19548	10.5
157.10127	16.0
159.08015	10.9
159.11682	40.5
161.13242	16.1
171.08037	15.9
171.11641	14.6
173.13252	39.1
175.03844	23.2
175.14848	13.0
185.09708	13.8
187.03828	19.7
187.14792	15.0
189.09102	43.5
197.13200	18.8
199.03848	11.8
199.07486	16.2
203.10587	16.1
203.18022	16.0
205.19563	15.5
213.09259	17.3
213.35220	11.4
215.07101	13.5
225.09138	17.5
229.08597	16.2
229.12227	21.6
229.19484	82.9
241.08545	15.5
241.12334	13.9
242.51364	12.9
253.08698	17.4
253.12035	11.4
255.13802	32.0
257.19073	19.8
261.11160	19.3
268.82285	12.8
273.14783	83.5
283.26221	16.6
295.13266	30.0
295.16791	11.2
300.29031	14.8
311.29391	41.9
313.14377	55.7
327.15729	47.5
337.18027	17.3
339.28287	13.0
345.16882	16.5
489.33563	19.9
517.32831	25.4
531.34338	55.9
549.40436	20.1
584.42023	14.7
584.55835	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01863	2.8
55.05515	7.1
57.03437	1.8
61.02945	1.0
67.05483	2.1
68.31366	0.9
69.03422	5.6
69.75732	4.7
70.06587	3.5
71.04980	1.8
72.08156	2.1
75.10889	1.0
79.05489	1.7
81.03423	5.6
81.07057	1.6
83.04980	100.0
84.08147	2.3
85.02905	10.6
86.09708	2.0
87.00829	3.5
91.05475	2.7
93.07047	1.5
95.03029	0.9
95.04986	1.8
95.08580	1.2
95.13136	0.9
97.02878	4.0
97.06480	1.0
99.04450	2.3
105.01857	2.5
106.06542	1.4
106.26247	0.9
107.08654	1.4
109.02901	5.1
116.07083	1.5
118.06531	5.1
118.83562	0.8
119.04945	1.6
120.08051	1.3
124.03962	1.5
127.03900	7.6
128.07072	3.7
129.06963	1.4
130.06519	1.9
131.07285	2.9
134.06007	4.2
136.06181	3.5
136.66431	0.9
138.40364	1.0
141.61096	0.8
144.08102	4.7
145.05008	2.4
146.06003	35.7
147.04402	1.4
156.08023	1.1
157.08914	2.8
159.02850	1.7
160.07495	1.1
162.05534	3.9
165.05414	1.1
167.07095	1.1
168.07912	1.5
170.09599	4.3
171.06810	1.5
172.07588	5.7
172.11205	50.4
175.03894	1.8
182.09663	2.1
183.06810	4.9
184.07581	3.1
184.11192	2.0
185.08444	1.5
186.05539	0.9
186.09189	2.3
187.06012	1.5
188.07076	1.2
188.10728	3.7
188.49770	1.1
190.12277	3.1
192.06516	2.4
196.11159	1.7
197.08258	1.7
198.09164	10.7
198.12746	1.9
199.09833	2.0
200.10698	55.9
201.11061	1.4
207.06563	2.9
210.09155	2.8
212.10614	1.1
214.12297	2.4
216.10210	16.5
216.13608	1.4
218.11757	64.3
219.12103	1.0
224.10698	1.3
225.14929	1.6
226.12283	4.1
226.15846	1.7
228.10222	6.2
230.11653	1.9
231.04933	2.0
234.11246	1.4
236.12784	27.6
236.15089	1.6
240.10229	1.9
242.11670	4.9
244.13284	12.1
246.11252	47.9
254.15298	5.6
258.11362	1.4
262.14340	1.7
264.13791	1.1
270.14844	3.0
272.16431	3.3
282.14914	9.4
300.15942	32.9
317.06644	6.6
318.16989	32.3
318.20715	1.5
319.17383	1.0
330.59967	0.9
336.18048	23.7
404.16904	2.6
422.18436	2.0
422.23740	1.5
434.51492	1.1
448.15918	1.1
530.20276	2.0
548.21405	1.5
566.22150	3.3
577.25079	1.2
584.22687	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.05317	1.3
55.05508	13.9
55.77168	1.9
57.07063	7.5
59.05011	1.9
60.13764	1.7
65.03924	4.1
67.05505	21.3
69.03426	7.0
69.07066	15.8
70.06583	1.6
70.65958	6.2
71.04987	1.7
71.52941	1.6
79.05493	18.5
81.07054	30.2
83.04968	6.6
83.08608	9.5
85.06531	4.2
91.05472	35.9
93.07041	50.8
93.66711	1.7
95.04970	11.0
95.08611	31.6
97.06530	6.6
103.05460	1.6
105.06313	3.4
105.07027	61.7
107.08592	41.0
109.06514	10.1
109.10168	21.5
111.08081	3.7
111.11770	2.4
115.05462	4.4
116.06258	4.1
116.07050	1.7
117.06974	12.5
119.08579	72.9
121.06487	2.9
121.10142	52.0
123.08073	11.0
123.11718	8.2
125.05988	2.0
125.09618	3.6
128.06229	10.5
129.07005	10.4
130.07776	5.9
131.08572	32.5
133.06549	3.4
133.10120	38.8
135.08075	5.0
135.11694	15.7
137.09605	8.2
141.07002	6.6
142.07793	19.2
143.08545	39.1
144.09305	5.0
145.10112	45.0
145.11156	3.1
147.08057	7.4
147.11707	16.3
149.09608	6.5
149.13252	3.5
151.07533	7.7
151.11201	2.7
153.06976	4.9
154.07814	2.3
155.08533	10.8
156.09363	14.5
157.10123	50.2
158.10916	8.1
159.07997	3.8
159.11691	28.6
161.09645	5.9
161.13283	5.5
161.94688	1.7
163.11208	7.7
165.07033	6.5
165.09081	14.9
166.07768	3.5
167.08554	6.5
167.10678	30.9
168.09424	6.6
169.10101	25.6
170.10913	6.7
171.11697	25.7
172.12462	2.8
173.09659	5.2
173.13252	22.0
175.11118	1.8
175.14774	10.3
179.08531	14.1
180.09299	5.1
180.47607	2.0
181.10132	13.5
181.12233	6.3
182.10968	7.3
183.11691	23.7
184.12509	5.4
185.13255	16.5
187.11177	1.9
187.14844	6.9
189.12756	4.9
191.14351	7.8
192.09381	5.1
193.10185	10.4
194.10942	10.4
195.11702	23.3
196.12505	5.5
197.13272	21.2
198.14142	2.3
199.11263	2.0
199.14824	16.3
201.12769	2.6
201.16501	4.1
203.08618	3.4
203.14331	4.9
205.10135	3.7
206.10970	8.3
207.11725	18.4
207.13869	5.0
208.12488	6.7
209.13260	23.8
210.14020	3.3
211.14767	13.1
213.12836	3.3
213.16452	4.8
215.14343	3.6
217.10159	4.0
217.15868	11.7
218.10976	4.5
219.11667	3.0
219.17477	2.5
220.12437	6.5
221.13261	17.6
221.15427	29.1
221.17336	2.5
222.14052	4.0
223.14799	14.2
224.15619	2.8
225.16438	7.9
227.14314	2.8
231.11615	6.1
232.12469	4.1
233.13263	7.9
233.15453	9.6
234.14070	2.7
235.14795	11.9
237.16310	9.2
239.17902	5.5
243.17522	3.5
244.12447	2.1
245.13268	6.3
246.13991	4.7
247.14859	7.7
248.15639	3.1
249.16551	8.6
250.17174	2.3
251.17987	6.0
253.16017	2.2
253.19392	2.8
255.17471	2.3
256.70154	2.3
257.13336	2.5
257.19077	5.9
258.14108	2.4
259.14740	4.6
260.15588	3.4
261.16397	7.6
263.17996	8.1
265.19431	8.5
269.19092	4.8
271.14722	2.3
273.16339	5.5
275.17914	11.2
277.19452	3.2
279.17764	2.6
279.21124	2.4
281.19049	2.2
283.20572	12.1
287.17767	3.2
289.19485	6.5
293.19009	3.1
295.20587	4.1
301.19110	2.4
303.21152	2.2
307.20737	2.6
315.21149	4.6
321.22125	2.3
327.21127	2.2
331.24194	5.1
335.23724	3.0
349.25259	7.8
359.23792	2.5
375.26761	3.6
403.30157	4.2
427.30444	2.5
491.35089	5.3
505.70309	2.5
547.39337	5.1
565.40295	18.6
583.41455	100.0
584.41937	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50866	2.5
55.05508	22.0
57.07080	13.7
57.28595	2.2
59.04990	4.3
67.05239	2.3
67.05511	29.0
69.03419	9.7
69.07066	25.1
69.57523	14.1
70.06561	3.0
79.05495	30.6
81.03404	2.6
81.07057	41.3
83.04977	6.9
83.08623	12.6
85.06534	8.6
91.05476	44.6
93.07044	75.9
95.04980	15.2
95.08604	41.5
97.06518	6.3
98.21479	5.2
103.05492	6.7
105.07030	72.2
107.08595	55.4
109.06513	11.2
109.10156	29.6
111.11751	3.2
115.05456	6.2
116.07120	4.4
117.07004	22.2
119.08579	100.0
121.06527	6.9
121.10146	60.5
123.08068	14.6
123.11739	6.7
125.06021	4.1
128.06235	11.1
129.06996	19.9
130.07782	7.4
131.08560	40.3
133.10127	45.7
135.08083	11.1
135.11690	19.4
137.09621	10.5
139.11217	4.8
141.06995	8.3
142.07788	27.8
143.08553	43.9
144.09297	11.9
145.10124	63.3
147.08055	21.3
147.11716	20.3
149.09673	8.9
149.13297	5.4
151.07532	17.8
151.11182	3.3
153.06989	7.7
154.07745	3.8
155.01038	3.4
155.08530	19.1
156.09331	21.8
157.10127	61.3
157.11320	4.5
158.10910	12.3
159.08090	6.9
159.11676	32.9
161.09630	9.9
161.13278	9.4
163.11189	8.5
164.00261	2.5
165.07013	11.0
165.09123	31.6
166.07780	3.2
167.08554	10.7
167.10704	39.8
168.09355	9.6
169.10110	39.5
170.10941	9.8
171.11655	35.6
173.09645	5.0
173.13251	30.4
175.11203	4.6
175.14839	10.6
179.08539	21.9
180.09346	5.8
181.10144	20.9
181.12196	8.4
182.10945	10.9
183.11687	27.3
184.12524	8.7
185.09653	3.6
185.13261	24.1
187.11200	5.0
187.14825	14.3
189.12746	10.0
191.08603	2.9
191.14296	12.7
192.09283	4.2
193.10065	18.8
194.10959	12.8
195.11702	23.4
196.12444	7.0
197.13260	23.7
199.11073	2.8
199.14836	20.6
201.16412	7.8
203.14282	13.5
205.10205	4.6
205.15973	3.0
206.10936	13.6
207.11758	24.3
207.13643	4.7
208.12495	7.1
209.13284	38.4
209.15192	4.6
210.10426	2.8
210.14095	4.6
211.11307	4.2
211.14778	12.7
213.12724	3.5
213.16325	4.5
215.14308	4.1
217.15858	13.0
218.10982	3.5
219.11731	8.6
220.12466	8.3
221.13271	22.1
221.15427	60.3
222.14041	5.6
223.14793	17.6
225.16389	8.2
227.14389	3.2
230.10779	4.2
231.11763	7.6
233.13263	11.0
233.15446	17.3
234.13960	3.6
235.14832	13.9
236.15410	3.7
237.16422	9.4
239.18098	7.4
241.15793	3.2
243.11771	4.5
243.17476	4.0
244.12531	3.5
245.13327	9.8
246.14139	7.4
247.14822	11.8
248.15576	4.2
249.16383	12.4
251.18022	6.2
253.16103	2.9
255.17409	3.5
257.13293	5.0
257.19083	7.3
258.14020	3.9
259.14850	5.3
260.15518	5.2
261.16476	11.4
263.18027	6.8
265.19519	7.6
267.17590	4.1
269.19006	3.5
273.16336	4.1
274.17218	3.5
275.17856	13.7
277.19513	6.0
281.18942	3.2
283.20575	24.3
285.18738	6.1
285.21716	3.2
286.19519	3.8
287.20224	5.7
288.18774	3.7
289.19604	6.4
291.21112	4.0
293.19058	3.5
294.11270	3.0
297.22260	4.3
300.21017	5.1
331.20505	3.0
331.24289	7.9
333.22079	3.3
347.12396	3.0
349.25308	8.7
352.23895	3.3
375.26953	7.0
403.30167	5.7
429.31668	2.6
430.83273	2.9
491.35327	9.3
503.35013	4.0
547.39355	4.1
565.40369	17.0
583.41516	94.8
584.42212	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	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01875	2.3
55.05516	18.0
57.07077	12.8
59.04992	4.2
62.85706	2.2
65.03920	3.3
67.05505	26.2
69.03445	10.5
69.07068	20.9
69.18948	21.6
79.05500	27.1
81.07061	38.6
83.04979	9.6
83.08616	10.0
85.06538	6.2
87.04479	3.8
91.04907	3.0
91.05479	52.8
93.07045	58.1
95.04961	10.0
95.08614	39.9
97.06523	4.6
97.10185	2.7
103.05505	3.7
105.04559	2.7
105.07040	81.0
107.08598	51.1
109.06524	11.0
109.10166	23.3
115.05453	7.2
116.06193	3.4
117.07023	17.9
119.08591	85.3
121.06531	6.2
121.10143	46.8
123.08086	16.9
123.11729	10.3
125.06012	3.3
128.06213	16.7
129.07034	19.7
130.07845	7.4
131.08571	33.0
133.06532	4.1
133.07683	3.1
133.10139	50.3
135.08076	9.0
135.11703	14.8
137.09642	10.7
139.11220	2.3
141.06970	9.8
142.07765	27.7
143.08572	43.9
144.09331	9.1
145.10136	55.1
147.08057	16.8
147.11697	14.8
149.09660	7.4
149.13237	4.7
151.07533	16.9
153.06996	5.0
154.07805	5.0
155.08568	21.2
156.09334	21.3
157.10138	56.9
158.10944	8.8
159.08069	5.8
159.11702	30.4
161.09648	5.7
161.13312	9.3
163.11230	10.0
165.06999	8.2
165.09138	30.0
166.07800	5.1
167.08568	13.4
167.10640	15.1
168.09436	8.1
169.10121	29.5
170.10962	9.1
171.11676	32.5
173.09627	3.5
173.13281	21.7
175.11182	3.9
175.14832	10.0
179.08572	15.6
180.09377	6.5
181.10179	15.9
181.12262	6.5
182.10928	7.4
183.11697	29.0
184.12520	6.2
185.13231	22.1
187.14857	8.2
189.12744	7.0
191.08525	3.7
191.14267	10.1
192.09390	3.2
193.10162	20.3
194.10948	10.9
195.11684	28.1
196.12489	6.3
197.13254	25.1
199.14851	17.0
201.16469	5.7
203.08594	3.0
203.14310	14.5
204.09436	2.9
205.10188	5.6
206.10968	10.2
207.11740	19.0
207.13875	7.0
208.12505	7.8
209.13287	32.3
210.14058	4.5
211.14799	14.0
213.12939	4.3
213.16469	4.7
215.14365	2.4
217.10170	4.7
217.15855	11.5
218.10907	2.9
219.11751	9.4
220.12433	9.6
221.13286	16.6
221.15430	56.6
222.14038	6.3
223.14845	15.2
224.15486	3.0
225.16515	5.1
227.14311	2.6
229.10237	2.7
231.11723	8.4
231.17628	2.5
232.12512	6.7
233.13280	12.4
233.15410	6.4
234.14055	8.0
235.14775	12.0
236.15587	3.7
237.16409	9.8
239.17978	3.3
243.11743	4.4
243.17358	2.1
244.12521	2.8
245.13332	7.2
246.14066	5.6
247.14793	11.8
247.16994	2.2
248.15604	4.5
249.16348	11.0
251.14345	2.4
251.17931	5.7
253.19658	2.6
257.19046	7.9
258.14127	3.0
259.14890	4.9
260.15659	4.3
261.16452	9.9
263.18054	7.6
265.16376	2.1
265.19659	7.6
269.18900	2.9
271.14883	3.8
271.20618	2.8
272.15540	2.9
273.16507	7.3
274.17236	2.7
275.17892	11.8
277.19528	5.3
281.19025	2.6
282.14935	2.2
283.20557	17.6
285.16199	2.6
287.17749	2.8
287.20459	2.7
289.19611	4.2
290.20456	2.5
291.21240	2.5
295.20599	3.7
297.22119	3.5
300.21002	3.6
315.21143	2.5
331.24094	4.7
335.23508	2.4
349.25388	7.7
361.25104	2.5
375.26855	5.7
403.30057	8.6
491.35034	6.7
503.35281	4.9
547.39362	6.2
565.40375	17.6
583.41479	100.0
584.41504	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	583.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.0
53.37860	6.4
55.01873	9.3
55.05509	20.5
60.04519	13.8
62.04946	7.9
67.05486	31.6
69.03416	31.8
69.07061	22.3
70.06577	31.0
71.04994	20.9
71.51802	10.7
72.00887	10.6
72.08153	13.6
79.05497	27.1
81.03398	34.9
81.07059	69.0
83.04971	16.3
83.08639	13.2
85.02906	28.9
85.06553	14.8
86.09663	7.9
87.00854	9.3
91.05456	46.9
93.07030	48.4
95.04966	26.1
95.08604	58.1
96.87418	7.5
97.02884	20.8
97.06552	11.2
99.04475	10.4
99.98246	7.1
105.03390	14.8
105.07034	35.3
107.04964	20.9
107.08574	20.2
109.02872	24.4
109.06540	10.9
109.10153	56.0
111.04501	10.2
115.05481	12.3
116.07002	7.4
116.10738	7.3
116.71347	6.7
119.04978	10.9
119.08558	31.7
121.02865	11.3
121.06512	15.1
121.10184	42.2
121.22398	7.4
123.04418	9.6
123.08038	8.5
123.11702	42.9
127.03909	25.8
129.05484	8.7
129.06975	7.6
131.04921	12.1
131.08568	18.4
133.02875	23.1
134.03700	13.0
134.06032	9.8
135.04433	68.6
135.08052	13.3
137.05962	39.5
137.09602	7.6
145.06483	21.4
145.10165	17.2
147.04428	20.1
147.08032	12.7
149.05949	11.6
151.03891	20.7
151.07565	9.9
153.01752	10.2
159.08032	15.3
159.11700	9.2
161.05939	11.2
161.09583	10.5
165.09126	16.6
167.07030	27.3
171.11797	9.2
175.03947	22.0
175.44243	9.0
178.04999	100.0
181.04906	17.2
190.05086	9.7
199.07588	7.8
201.09061	9.6
202.05032	14.7
207.06529	25.2
207.13805	9.0
208.06978	10.2
220.09615	13.9
220.11955	7.2
221.08131	9.0
235.40768	8.3
244.09613	21.0
255.13779	21.5
271.06000	97.3
272.06589	11.8
282.21616	9.0
300.15900	99.9
300.26010	11.3
317.21143	12.0
351.12143	8.5
371.67255	9.4
372.17374	13.4
408.84985	8.3
453.15085	8.5
583.20630	12.0
583.36279	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58697	2.4
55.05505	10.9
56.75958	2.4
57.07071	11.0
58.81704	3.4
60.01924	2.4
60.09153	2.3
67.05498	11.4
69.03439	4.6
69.07050	9.0
69.88756	6.0
69.89167	9.2
70.92270	2.3
79.05489	12.4
81.03414	3.0
81.07050	20.8
83.04974	3.8
83.08637	6.1
85.06544	4.0
86.65247	2.4
90.81359	2.4
91.05485	19.7
93.07048	35.0
95.04967	3.0
95.08614	33.0
105.07033	33.0
105.09121	2.6
107.08607	20.7
109.06559	4.0
109.10143	14.3
117.07079	5.3
119.08573	32.7
121.06489	2.9
121.10165	23.3
123.08053	15.0
123.11735	5.5
128.06253	5.2
129.07025	3.7
130.21364	2.7
131.08582	17.4
133.10123	15.3
135.08069	8.4
135.11685	4.1
137.09636	8.8
141.07010	4.3
142.07765	12.9
143.08551	14.5
144.09277	2.8
145.10118	21.2
147.08051	17.3
147.11705	8.2
149.09680	3.4
151.07544	18.7
155.08553	7.9
156.09406	4.5
157.10150	24.6
159.08086	4.1
159.11681	13.0
161.09683	2.9
161.13252	4.6
163.11266	4.9
165.09113	31.2
167.08606	3.3
169.10172	10.8
171.11699	21.2
173.13327	9.9
179.08618	5.7
181.10135	5.1
182.10838	3.7
183.11681	15.6
184.12454	3.3
185.13220	13.6
187.14774	4.4
189.12759	5.5
193.10205	8.1
194.10931	7.2
195.11742	11.2
196.12502	3.2
197.13307	11.7
198.14088	3.2
199.14798	2.8
203.14319	12.6
206.10973	2.9
207.11697	7.4
207.13771	6.1
208.12462	4.2
209.13298	10.3
210.13985	3.9
211.14766	4.2
213.16432	3.4
219.11758	3.9
219.17435	3.5
221.13255	6.3
221.15337	58.6
223.14890	7.3
233.13295	5.6
235.14865	5.5
237.16354	3.1
247.14777	4.3
249.16469	4.1
255.76413	2.5
259.14893	3.4
261.16351	4.4
265.19357	3.0
269.18973	3.0
269.49051	2.9
275.18054	3.0
279.21243	3.1
283.20633	4.4
297.22278	3.5
299.20499	2.7
305.52139	3.0
349.25427	4.0
357.25778	3.7
365.25116	3.5
375.26898	4.6
403.30164	10.8
491.34479	2.7
523.48615	2.6
543.82196	2.6
547.39667	4.3
551.37805	2.8
565.40417	28.7
583.41559	100.0
584.41522	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	583.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12031	3.6
53.03937	7.3
53.80709	3.2
55.01875	6.0
55.05501	5.5
57.03438	5.5
65.03944	3.8
67.05499	19.8
69.03427	12.8
69.07062	18.7
69.60280	25.2
70.06584	11.0
71.05002	4.1
72.00873	13.0
72.08131	4.9
73.02933	3.8
79.05481	17.1
81.03412	22.5
81.07054	22.3
84.04557	4.4
84.08138	5.4
85.02889	17.3
85.06522	5.8
86.09715	3.7
87.00816	6.7
91.05473	15.3
93.07046	15.9
95.04964	13.5
95.08596	22.4
97.02889	13.0
97.06531	3.8
99.04462	6.5
103.05421	6.0
105.03430	17.2
105.07045	17.1
106.06527	3.9
106.50513	3.2
107.04948	16.0
107.08587	12.8
109.02877	11.4
109.06487	5.3
109.10154	23.7
111.08050	5.5
115.05496	3.4
117.07042	7.3
119.08569	10.6
121.02897	4.2
121.06502	10.0
121.10139	12.4
123.04380	5.3
123.11690	22.5
127.03925	15.2
131.08633	5.2
133.02843	15.6
133.05075	4.3
133.06464	6.5
133.10152	10.1
134.03654	7.3
134.05968	9.0
135.04407	43.8
135.11662	5.4
137.06017	19.7
145.06483	5.9
145.10126	8.0
147.04433	10.8
147.08090	7.9
147.11702	4.5
149.09615	4.7
151.03909	13.4
153.01799	3.9
155.08496	4.6
157.10115	6.5
159.07961	3.3
161.05992	8.6
161.59917	3.6
162.24416	3.7
163.07463	5.3
163.11215	4.8
165.05414	4.1
165.09186	4.3
167.07103	17.1
167.08379	4.7
168.56096	3.7
172.05121	4.2
173.05951	6.5
173.09709	4.3
175.03955	5.1
176.04669	6.8
177.05486	6.4
178.04985	55.8
179.07042	3.9
179.08612	4.1
181.04895	4.9
181.08601	5.9
184.07359	4.6
185.09659	5.1
187.11182	5.2
189.09126	5.3
192.06499	5.1
199.07484	4.7
201.09081	4.8
202.05011	11.0
203.10558	3.9
204.06519	5.1
205.04939	5.0
207.06465	7.0
216.06532	27.6
229.08356	5.0
244.09708	6.3
254.17673	3.8
255.13834	27.3
271.06006	13.9
273.14716	6.3
282.15048	3.8
287.05542	6.0
300.15979	100.0
302.04172	7.0
302.07309	4.6
317.06564	30.6
329.09955	6.4
335.08963	18.2
453.74786	4.5
458.19415	3.8
565.20520	7.8
583.28851	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	582.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21648	0.3
53.03915	0.6
55.01844	0.4
55.05497	0.7
56.05004	0.6
57.81444	0.3
65.03909	0.5
67.05501	2.0
68.99764	0.8
69.03423	1.5
69.03721	0.3
69.07040	0.7
69.19420	0.8
69.19822	2.6
70.06596	1.4
71.04972	0.5
73.02894	0.4
79.05490	1.9
80.05013	0.6
81.03413	1.6
81.07071	2.0
83.08579	0.4
84.08104	0.8
85.02898	1.4
85.06541	0.4
86.09681	0.6
91.05469	2.1
93.05762	0.4
93.07052	1.8
94.06564	1.6
95.04931	1.1
95.07328	0.6
95.08586	1.2
96.08104	0.6
97.02850	1.1
99.04428	0.6
103.05452	0.5
105.03347	0.5
105.07008	0.9
106.06527	0.8
107.04937	3.9
107.07304	0.6
107.08540	1.3
107.61767	0.3
108.04489	0.4
108.08112	5.5
109.02855	1.2
109.06543	0.3
109.10110	0.5
110.09663	1.1
112.07616	0.4
115.05383	0.3
117.07000	0.7
118.06512	0.7
119.04874	0.6
119.07306	0.7
119.08524	0.8
120.04440	0.9
120.08119	2.8
121.02873	3.0
121.06515	0.3
121.08797	0.4
121.10110	1.0
122.06006	2.4
122.09655	1.8
123.06816	1.5
123.08014	0.5
124.07550	0.8
127.03932	1.9
129.06969	0.5
131.08517	0.5
132.04434	0.8
132.08046	0.8
133.02817	1.0
133.08801	0.5
133.10075	0.9
134.05974	1.0
134.09612	1.1
135.06767	0.7
135.11639	0.6
135.95061	0.3
136.07576	10.4
137.02274	0.7
137.08298	1.0
138.05435	0.4
138.09129	10.6
144.04463	0.6
144.08119	0.4
145.04948	0.6
145.06416	0.6
146.06015	1.4
147.04356	1.1
147.06744	0.4
147.11661	0.3
148.07582	2.7
149.08293	0.8
149.14528	0.3
150.05466	0.7
150.09128	4.4
151.03893	1.2
151.06274	3.3
151.09966	1.7
151.10973	0.4
152.07095	1.6
152.10696	4.3
153.01842	2.6
159.11542	0.3
160.03969	1.4
160.07526	0.6
162.05501	1.0
162.09128	1.6
164.07028	1.1
164.10730	1.6
165.01785	1.1
166.08641	32.7
167.07019	0.9
167.09099	0.4
168.10191	2.0
172.03954	3.0
172.07588	0.3
173.04355	0.3
174.05510	0.4
175.03868	0.5
176.07036	0.7
178.05019	0.5
178.08623	1.1
180.06651	0.4
180.10196	3.7
181.08832	0.5
181.10954	0.8
182.04512	0.6
182.08221	0.6
182.10042	0.5
182.11769	8.9
183.02879	0.4
183.09172	0.6
184.07370	0.4
186.09024	0.5
190.04965	2.8
192.06535	0.5
194.08182	1.0
195.09160	0.6
196.06021	0.9
196.09914	0.7
197.10672	1.5
198.11508	0.8
199.12390	0.5
200.10721	0.4
203.17995	0.4
204.06558	2.8
204.09990	0.3
207.06522	1.2
207.09227	1.0
208.06454	0.4
208.09914	0.5
209.10718	1.3
210.09233	0.4
210.11499	0.5
211.08571	1.9
211.12328	0.8
212.09393	0.7
212.12997	0.4
213.05432	0.7
213.10320	1.8
221.06923	0.3
221.10742	0.7
222.07726	0.6
223.08745	1.5
223.12228	0.5
225.10127	2.0
226.11014	1.0
227.08075	0.5
227.11761	1.4
228.12593	0.8
232.13364	0.5
234.07802	0.6
235.08580	1.9
236.09322	2.1
237.10240	4.4
238.10985	0.8
239.08121	1.1
239.11707	1.6
241.04939	0.4
241.09714	1.2
241.13373	0.7
243.11284	0.7
248.09477	0.4
249.06496	0.8
249.07707	0.4
249.10208	4.3
249.18468	1.5
250.07384	0.9
250.10893	1.5
251.08092	2.9
251.11778	1.9
253.09764	1.1
254.10535	0.5
255.11276	0.8
255.13676	0.7
257.12723	0.4
258.05261	0.6
259.14471	2.0
261.10242	0.6
263.08154	2.7
263.11777	1.0
264.08997	1.9
265.09726	7.3
265.12936	0.5
266.10599	1.4
267.07648	4.5
267.11279	1.8
268.12115	0.6
269.12888	1.9
271.06122	0.7
271.10898	0.5
273.06464	1.4
277.09717	2.7
278.06882	0.5
278.10361	1.1
279.07672	0.9
279.11261	2.1
280.11966	0.5
281.09180	2.0
281.12854	1.5
282.10010	0.6
283.10931	1.5
285.12405	0.9
287.05496	45.1
287.13882	12.9
288.05807	3.5
288.08698	4.5
288.14279	0.5
289.09247	0.5
291.07660	2.2
291.10962	0.6
292.08548	0.4
293.09186	3.7
293.12756	0.8
294.10068	0.5
295.10715	2.2
295.14038	0.5
296.11639	0.6
297.09351	0.5
297.12173	2.4
298.13068	0.3
299.10315	0.4
299.13910	0.5
300.15085	0.6
305.09280	0.5
306.09735	0.4
307.10620	1.5
308.07687	0.9
309.08749	7.2
309.12308	1.0
310.09454	0.9
311.10251	2.1
311.13931	1.3
312.14587	0.4
313.12000	0.7
313.15460	4.0
316.14490	0.4
319.07104	0.7
319.10419	0.3
321.12344	1.0
323.10272	6.9
324.10876	0.7
325.11743	1.9
326.12762	1.0
327.13446	0.9
328.14441	0.9
334.16705	0.4
337.08139	1.0
337.11963	1.2
338.12787	0.4
339.09689	1.4
339.13455	4.9
340.14328	0.7
341.11304	0.9
341.15036	1.4
342.12405	0.8
342.15857	0.7
343.13062	0.6
343.16638	0.8
351.09680	1.1
352.10379	0.5
352.14450	0.4
353.11346	0.5
353.15314	0.6
354.12360	0.7
354.16235	0.6
355.09116	0.5
355.13248	1.4
356.13858	0.8
357.14661	1.9
358.15472	0.8
365.11331	0.6
368.13910	0.4
369.10883	0.7
370.15482	0.7
371.16049	15.2
372.17102	1.9
374.15036	0.8
376.16571	0.8
382.15491	0.7
383.12323	1.7
384.17334	0.5
385.14063	1.2
386.14899	1.0
388.16870	0.7
397.13843	0.5
398.15033	0.7
400.16650	2.2
402.14508	1.2
403.14801	0.5
408.12613	0.3
411.12079	0.4
414.14127	0.5
414.18655	0.5
415.15085	1.3
416.16180	1.0
417.16824	0.6
426.14383	0.6
428.15997	0.8
429.16913	0.4
430.13544	0.8
430.18488	0.6
432.19174	0.6
440.16364	0.5
442.13165	0.4
442.18320	0.4
444.15323	1.6
445.16208	0.6
448.18735	0.8
450.14722	0.4
450.19977	1.5
458.17245	2.6
459.17667	0.9
462.16193	0.4
468.15799	0.3
472.19016	0.7
474.20291	1.8
475.17328	0.5
476.18362	0.9
477.19208	0.7
486.16556	0.7
490.19891	3.9
491.19971	0.7
500.18253	3.6
504.17722	0.9
506.22803	1.0
518.19244	22.1
519.19501	0.8
532.20978	0.5
547.04572	0.3
550.21832	100.0
551.22137	5.3
557.04150	0.4
582.24469	28.0
583.24982	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72190	2.2
53.03936	5.5
55.01874	3.0
55.05502	3.8
55.92401	2.1
57.03424	3.3
60.04509	2.9
61.02922	3.8
65.03918	2.4
67.05507	5.4
69.03427	17.1
69.07063	3.9
70.06309	2.1
70.06601	21.6
71.04998	5.5
71.52984	2.4
73.02926	3.0
74.06022	2.1
79.05495	14.2
81.03417	12.1
81.07050	7.7
83.04974	5.7
84.04492	9.5
84.08155	5.3
85.02906	20.2
85.06532	2.3
86.09711	7.7
91.05475	6.9
93.07048	6.8
95.04977	30.4
95.08589	3.4
97.02872	9.0
97.06528	3.7
99.04465	5.6
103.05435	3.3
105.03426	2.7
105.04482	2.9
105.07028	9.1
107.04968	28.2
107.08568	5.5
109.02863	7.8
109.06477	4.7
110.07181	3.8
111.04451	4.3
111.08072	3.0
112.07569	2.4
115.05438	4.5
117.07020	7.8
119.04911	4.7
120.08160	3.6
121.02882	4.2
121.06508	6.5
123.04434	27.8
123.08067	2.8
124.05178	5.5
125.05980	4.7
127.03915	9.4
128.07072	5.1
129.06995	6.9
129.10248	2.6
131.04958	5.8
131.08563	7.0
133.02916	3.0
133.06520	4.1
135.04376	5.3
135.08023	3.4
136.06126	3.2
136.07536	5.5
137.05959	16.6
140.04723	4.2
140.10611	2.4
141.06969	2.9
144.05653	3.0
145.04997	2.7
145.06479	16.4
147.04355	5.3
147.08072	3.0
149.06000	2.5
149.09604	2.5
151.03928	3.6
151.07507	2.7
152.04692	3.6
153.05464	6.2
155.07021	10.1
156.05632	5.1
157.06462	2.7
159.04465	2.7
159.08066	14.0
161.05966	7.7
163.03879	2.2
165.05460	4.4
166.06285	2.5
167.07045	82.2
168.07692	4.4
169.13312	2.2
173.05951	22.6
174.06737	4.1
175.03979	3.5
175.07564	4.4
177.05515	3.4
177.09047	3.6
178.04944	2.6
179.06964	3.6
181.05008	4.0
181.08705	2.5
182.09444	4.8
183.06549	33.2
184.07294	13.7
187.07526	13.9
189.05426	3.0
189.09070	4.7
190.06195	8.9
190.07744	3.1
192.07805	4.7
193.08643	2.6
194.09454	3.2
200.07083	3.0
202.06259	5.8
203.07010	6.7
204.07829	4.3
205.08554	22.2
205.74837	2.5
206.07443	2.3
207.06503	7.5
207.08237	3.3
210.08887	10.0
214.01744	3.3
217.08578	51.4
218.07314	3.8
218.09317	8.1
219.08076	10.1
219.10199	9.5
220.10982	6.5
221.09756	3.1
230.09436	4.3
231.08072	5.4
231.10110	3.1
233.09555	7.1
234.06746	2.6
234.08888	6.9
235.07520	3.9
235.09666	5.3
236.08188	4.1
238.11911	10.7
241.08585	4.6
246.06805	2.6
247.07549	8.6
247.09741	3.3
248.08131	5.0
248.10449	11.1
249.05374	2.7
249.09096	5.6
249.11273	7.2
250.11853	2.9
251.10591	2.9
258.07614	7.3
260.08163	2.4
261.09052	8.5
263.07150	6.0
263.10373	2.3
264.07831	11.9
265.08688	3.3
269.08060	3.3
273.14871	3.3
274.06848	3.0
276.07938	5.9
277.08609	9.2
278.09381	7.3
279.10217	14.8
281.08099	2.9
281.11862	2.2
288.05838	3.1
289.08578	4.5
291.06631	3.0
291.10004	4.6
292.07336	3.7
293.08237	5.2
293.11734	7.1
295.09760	4.4
299.05750	2.7
300.05713	4.6
306.08655	3.2
307.09610	21.8
308.10458	5.5
309.07819	2.5
309.11218	4.6
310.08087	2.5
311.12744	7.2
316.15558	4.5
321.11166	8.6
323.09091	6.1
323.12820	4.4
324.09546	2.9
329.06613	2.5
329.10223	2.9
330.06815	8.5
330.10684	4.0
331.12015	2.4
337.10718	4.4
338.11407	6.4
339.11902	11.0
344.12448	9.3
353.13785	4.7
354.06973	3.6
356.12427	2.7
359.14963	7.5
369.13361	24.4
370.14066	3.1
371.14896	89.1
372.14734	3.2
383.15070	5.7
384.15750	4.1
387.14221	12.1
389.16068	12.2
401.15958	100.0
402.16568	32.8
419.17081	15.5
420.17709	21.0
420.22510	3.7
431.09650	2.5
431.16699	4.3
432.10544	2.5
478.17160	2.4
498.46829	2.4
582.22931	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	581.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.1
53.55034	2.9
55.01865	8.1
55.05508	6.0
56.05024	4.0
57.03422	3.0
57.07079	2.7
60.04526	43.2
61.01604	2.8
61.02927	4.2
65.03933	3.6
67.05524	14.4
68.99799	5.0
69.03429	20.1
69.07074	24.1
70.06597	5.5
71.04988	10.0
71.52002	3.4
71.52367	3.0
73.02927	5.2
77.03912	2.5
79.05489	12.8
81.03425	24.5
81.07069	14.2
81.73212	2.9
83.04971	3.8
83.08626	4.7
84.08155	3.2
85.02905	34.5
85.06524	8.9
85.46082	2.2
87.00828	9.0
87.04461	2.9
90.11101	2.7
91.05485	10.8
93.07056	10.3
95.04964	5.9
95.08590	13.6
97.02893	18.2
97.06485	3.7
99.04464	11.1
103.05466	2.7
105.01876	5.4
105.03402	5.7
105.07049	10.4
106.25200	2.7
107.04971	6.4
107.08603	9.4
109.02885	16.0
109.06508	3.4
109.10159	12.6
111.04441	4.2
111.11707	2.7
115.05359	3.6
117.06979	4.7
119.04938	4.5
119.08590	7.6
121.02966	2.6
121.06513	7.9
121.10144	6.1
122.19688	3.1
123.04447	4.6
123.11716	6.9
127.03942	15.9
129.01790	3.3
131.04935	4.4
131.08580	3.4
133.02866	40.5
133.06535	4.3
133.10121	3.2
135.04413	17.8
135.11703	5.8
137.05981	4.9
137.09587	3.8
143.08594	3.2
145.04973	6.2
145.06485	6.0
145.10179	5.8
147.04420	14.8
147.08054	7.7
149.02325	2.5
149.05974	5.0
151.03900	58.3
153.01842	4.4
153.05492	5.6
155.08577	4.0
157.06497	3.4
157.10124	4.8
158.07231	4.9
159.04417	11.5
159.08070	12.2
159.11736	3.3
161.06003	6.3
161.09492	5.7
163.07506	3.0
165.05484	10.1
165.06792	3.5
167.07014	14.0
169.10133	3.1
170.81248	2.8
171.08046	5.5
173.06010	6.8
173.09625	11.2
175.03909	5.5
175.07565	7.2
181.04916	5.1
183.08063	5.0
185.09686	8.8
187.07462	6.7
187.11209	4.8
187.14740	2.9
189.09103	41.5
191.07056	4.0
193.08687	6.9
199.11243	3.1
201.05469	14.7
201.09111	63.5
207.06522	12.1
209.09628	3.2
213.09149	29.8
215.10692	7.8
215.14299	4.1
219.10161	4.2
223.11171	3.7
225.09319	3.6
227.10757	11.6
227.14313	7.9
229.08701	4.9
231.04834	3.9
231.10196	20.7
237.09184	5.2
237.12785	9.8
240.11447	5.0
243.10112	18.6
253.12253	8.5
255.10156	13.8
255.13785	51.9
257.15359	98.1
259.09647	3.2
259.16824	3.1
261.11188	6.1
267.13834	3.5
269.11801	3.9
269.15314	10.1
271.06003	11.4
271.09293	3.0
272.06390	6.6
273.06790	8.9
273.11331	8.5
273.14883	32.7
279.14014	6.2
287.16513	6.1
288.08749	7.5
297.11786	4.8
297.14835	22.4
299.12839	4.2
314.26968	6.0
315.12201	6.6
315.15894	100.0
315.27234	11.2
325.10654	3.9
332.27991	8.7
333.16983	75.7
333.28244	15.9
339.12427	3.6
339.15964	12.0
357.16992	35.8
375.18051	30.1
381.16727	4.3
417.19073	7.7
419.20596	58.8
423.17850	9.8
441.19174	4.4
494.97980	3.2
537.33917	3.7
581.25775	4.4
581.33899	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2226
Annotation	(+)-Syringaresinol O-beta-D-glucoside
Peak:m/z	Relative Intensity
50.23816	2.2
55.01859	5.5
55.05510	4.2
57.03437	2.5
59.06119	10.6
60.04527	3.1
67.05495	3.7
69.03438	7.3
69.07082	5.2
69.63946	12.9
70.06595	40.8
71.04998	3.3
72.08167	3.6
73.02909	4.3
79.05489	5.8
81.03426	8.6
83.05019	2.6
85.02898	17.4
85.06542	3.9
85.07667	41.4
86.07967	2.9
86.09699	5.2
87.00798	2.6
91.05482	3.7
93.07070	4.2
95.08615	2.9
97.02887	8.1
105.03398	2.9
105.07011	2.5
107.04978	3.6
107.08563	2.4
109.02867	8.4
109.10174	2.8
110.07148	2.6
111.04512	2.6
111.09216	13.4
119.04984	2.8
119.08607	2.9
121.02885	2.7
123.08056	4.6
127.03919	10.6
128.07121	3.5
128.11848	42.5
129.10240	4.4
129.12187	3.8
133.10106	3.6
135.04410	3.6
143.08546	3.3
145.04959	2.6
147.04311	2.9
147.08061	4.3
149.06085	2.8
149.09689	3.1
151.69600	2.6
157.10179	4.6
161.05925	3.1
167.06979	3.4
171.07988	5.1
173.06042	2.5
173.09685	3.3
183.08093	2.7
185.06024	3.2
185.09578	6.5
189.09187	3.8
199.07465	3.8
201.09038	12.4
207.06573	3.0
211.07605	4.9
213.09114	30.7
213.12451	2.6
215.10739	4.6
227.10696	11.6
227.14287	9.7
231.10207	3.8
237.12729	6.8
239.07204	2.6
240.11438	4.1
241.12181	2.6
243.10136	4.2
245.11671	4.7
255.10239	9.2
255.13795	63.2
261.11334	5.5
265.12030	2.7
267.10065	2.9
269.11908	2.2
269.15344	7.4
273.11411	4.3
273.14865	10.2
279.10287	3.7
287.05573	32.5
287.16553	3.5
295.09692	3.1
295.12994	4.1
297.11444	4.9
297.14899	19.3
309.11154	3.2
313.14420	5.7
315.12387	3.3
315.15900	100.0
327.15976	4.2
333.17105	6.7
339.15887	5.5
345.16943	9.5
353.13641	2.8
357.17065	19.0
363.15787	2.9
373.16171	3.4
375.18066	15.4
381.16995	5.1
399.17938	4.2
417.18903	10.7
423.17987	12.9
435.20035	8.9
441.19055	14.5
459.20340	5.2
491.28864	9.9
527.19342	5.0
545.20020	5.3
581.21558	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	581.1865
Annotation	5,7,4'-Trihydroxyflavanone 4'-O-rutinoside
Peak:m/z	Relative Intensity
53.03939	2.1
55.01858	3.5
55.05482	1.5
57.03434	16.7
61.02920	2.4
67.01852	2.5
67.05499	1.7
67.52419	1.1
68.99787	2.0
69.03089	1.8
69.03429	20.2
69.09805	1.3
69.50433	9.7
70.06594	7.5
71.04989	58.6
72.08149	2.1
73.02921	6.7
75.04478	2.4
77.32412	1.3
79.05486	2.1
81.03430	7.0
81.07023	2.4
82.06541	1.1
83.04963	4.9
84.04483	1.7
84.08123	3.5
85.02904	84.0
86.09684	1.9
86.53437	1.3
87.04472	2.1
90.36857	1.3
91.03918	1.2
91.05472	3.2
95.04941	4.2
97.02902	5.8
98.21589	1.5
99.04442	4.0
105.06967	2.1
107.04942	7.3
109.02856	5.0
111.00785	1.3
111.04421	4.0
116.07110	1.5
119.04945	5.9
120.08081	3.1
121.02859	4.9
121.06536	2.8
123.04418	4.2
127.03918	6.0
129.05455	16.2
135.04439	11.4
136.07587	1.4
137.02354	2.9
145.04964	3.4
147.04404	30.2
147.06488	5.4
149.02318	2.6
151.03841	1.4
153.01820	49.1
159.04356	1.1
163.03859	3.5
165.01823	13.1
167.03441	1.8
168.85684	1.7
168.87083	1.3
171.02892	10.8
177.01805	7.9
177.05338	2.4
179.03357	2.4
183.02852	7.4
191.03407	10.9
193.04948	1.4
195.02879	64.1
195.08426	1.3
203.03416	6.9
207.02817	2.9
207.06502	2.5
208.06850	1.5
213.03952	1.4
217.04959	5.4
219.02911	21.7
221.04372	3.2
231.02765	2.1
237.03824	1.9
245.04448	20.6
255.06612	1.6
261.03952	3.2
263.05472	25.0
271.05972	3.1
272.06369	2.5
273.07565	100.0
274.07925	2.0
281.06573	9.2
281.42703	1.3
283.05887	1.6
285.07486	7.1
287.05493	5.1
288.05704	1.6
289.05957	2.4
297.07614	10.7
299.05402	23.4
300.05960	2.4
311.05453	3.9
315.08600	16.5
315.15994	2.1
325.07108	3.8
329.06528	23.5
330.07071	1.4
339.08609	19.6
340.08981	1.5
351.08670	2.6
353.06564	13.4
356.82373	1.3
365.06396	2.6
365.10205	10.3
377.06418	3.0
383.07407	3.3
383.11481	16.1
395.07449	3.6
401.12189	6.2
413.08517	4.5
417.11636	2.3
419.13406	3.4
431.09717	6.7
449.10831	8.0
527.15039	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1863
Annotation	Naringin chalcone
Peak:m/z	Relative Intensity
52.73727	1.8
55.01851	2.0
57.03434	10.9
60.84079	1.8
68.99788	2.6
69.03431	15.3
70.06586	4.5
71.04993	52.0
71.17998	3.3
73.02904	1.7
81.03406	4.3
81.07040	2.6
84.08189	1.9
85.02906	73.6
87.04472	2.3
88.70898	1.7
90.69725	1.7
91.05492	3.4
93.07069	3.0
95.04980	4.1
97.02878	5.7
99.04461	3.8
107.04924	3.4
109.02897	4.0
111.04424	4.4
119.04943	5.2
121.06538	3.2
123.04437	2.9
125.05941	2.8
127.03909	5.6
129.05486	16.3
135.04430	9.6
136.07594	2.0
145.04987	2.3
147.04402	30.6
147.05377	2.7
147.06491	5.2
149.02391	2.1
153.01823	48.7
163.03912	1.8
165.01825	12.9
171.02899	9.7
175.03969	2.2
177.01854	5.3
177.05411	3.5
179.03441	2.1
183.02940	7.1
191.03369	10.4
195.02888	63.7
203.03401	5.9
207.02960	2.4
207.06560	2.1
217.04926	5.2
219.02908	21.7
221.04489	2.2
231.02873	3.1
245.04453	19.9
261.03958	6.4
263.05515	23.3
273.07562	100.0
278.13113	1.8
281.06506	11.5
285.07645	8.7
297.07669	11.0
300.54916	1.9
315.08633	22.3
329.06577	2.0
339.08643	19.2
365.10098	10.8
381.09564	2.1
383.11307	20.9
399.10895	3.1
401.12231	7.3
417.11920	3.8
419.13290	3.6
422.88339	2.0
552.86444	1.9
591.54504	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	581.1861
Annotation	Naringin chalcone
Peak:m/z	Relative Intensity
55.01870	2.2
57.03445	9.6
65.95525	1.5
69.03441	11.5
70.19546	4.7
70.19961	2.6
71.04993	56.1
71.95589	1.7
73.02898	2.0
75.04489	3.1
85.02906	73.0
87.04451	1.5
97.02897	1.5
99.04474	1.8
102.01766	1.9
107.04971	2.2
107.96480	1.5
109.02879	3.8
111.04473	2.7
119.04932	5.8
121.02880	4.3
121.61935	1.5
123.04408	3.7
125.02364	2.0
129.01860	1.5
129.05481	19.2
135.04416	6.0
147.04410	24.8
147.06497	4.6
148.38365	1.4
149.02299	2.1
153.01826	50.2
154.02206	1.7
156.24873	1.8
158.00430	1.4
163.03912	2.6
165.01833	11.0
171.02881	8.4
177.01846	6.2
183.02942	7.1
191.03326	9.3
195.02888	52.2
202.15576	1.4
203.03397	2.7
207.02885	2.9
217.05020	1.7
219.02884	18.1
231.02872	8.7
235.19896	1.7
243.03036	2.0
245.04503	10.2
249.04013	2.3
261.03839	8.4
263.05487	13.2
271.05991	22.2
272.06317	19.9
273.07590	100.0
274.07959	2.5
281.06546	2.5
285.07538	10.7
297.07520	6.6
315.08710	17.9
323.08002	1.7
339.08664	18.0
351.08746	4.3
357.09555	1.5
365.10138	4.5
369.09668	2.9
381.09677	4.9
383.11261	12.3
399.10696	5.3
401.12186	3.6
407.10422	1.8
417.11777	8.3
419.13156	3.4
435.12738	4.7
470.46426	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	580.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.05514	25.8
57.03442	9.3
57.07067	6.1
67.05508	48.5
68.40736	3.7
69.07062	24.6
69.31317	41.5
71.05001	7.1
72.71875	4.3
79.05488	33.6
81.03401	4.1
81.06645	6.0
81.07056	53.8
83.04955	4.6
83.08617	15.1
88.56017	4.7
91.05482	18.8
93.07053	35.3
95.04989	4.2
95.08610	63.3
97.02934	4.5
97.06534	4.2
97.10188	8.4
105.07027	10.6
106.88046	4.4
107.04953	5.9
107.08605	29.7
107.85724	3.9
109.06488	6.7
109.10120	13.0
117.06994	8.4
119.08598	17.6
121.06507	4.5
121.10136	17.8
123.11637	4.7
125.06046	4.5
133.10118	4.0
135.11676	40.5
142.01648	4.2
145.10141	23.3
147.11649	4.7
163.11174	37.3
164.80865	4.8
181.12315	7.6
193.52078	4.4
220.37215	4.6
227.12776	81.8
283.15424	71.4
337.27356	100.0
474.45966	5.1
545.38324	83.2
581.40192	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	581.1864
Annotation	Naringin chalcone
Peak:m/z	Relative Intensity
57.03440	15.7
61.02927	2.5
62.44009	2.1
63.61775	2.2
68.99815	2.7
69.03432	14.1
69.51111	13.7
69.51511	4.2
71.04996	65.9
75.04495	3.0
83.04980	3.0
85.02909	72.3
88.55408	1.8
91.05479	2.2
97.02899	2.3
98.21502	2.8
107.04959	4.9
109.02937	2.9
119.04951	7.6
121.02848	3.4
121.06508	2.4
123.04438	4.9
127.03889	2.3
129.05487	14.8
129.28729	2.0
132.74902	2.2
133.41356	1.9
135.04453	5.5
143.23888	1.8
147.04405	31.0
147.06487	5.4
151.03993	2.8
153.01839	57.9
163.03870	2.4
165.01855	10.7
166.37474	1.9
171.02901	10.3
177.01825	6.2
177.39351	1.9
179.03395	3.5
183.02899	6.1
191.03439	10.8
195.02901	61.2
203.03452	5.8
207.02788	2.6
217.04942	2.4
219.02905	23.6
231.02924	7.0
237.04027	2.4
243.02916	2.0
245.04433	10.8
249.04070	3.4
261.03931	8.0
263.05624	10.6
271.05997	32.2
272.06378	23.3
273.07593	100.0
274.07864	2.8
281.06528	4.1
285.07565	11.3
297.07510	6.7
315.08636	20.7
339.08673	18.1
351.08594	5.1
365.10117	3.5
381.09866	3.5
383.11252	7.7
399.10754	4.7
401.12320	2.6
417.11774	6.1
419.13229	3.2
435.12762	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	580.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.7
58.70256	4.6
59.05002	5.2
61.84388	4.4
65.77917	5.1
67.05511	16.7
69.07068	11.3
71.05009	7.5
71.52576	4.3
71.53014	6.7
75.27611	5.7
79.05495	15.6
81.03440	5.8
81.07065	28.7
83.04996	5.0
83.08643	4.9
85.02904	4.8
86.09702	5.6
91.05487	19.5
93.07050	14.1
95.04976	8.9
95.08642	8.2
97.06533	5.4
102.34144	4.1
105.03388	5.3
105.07021	11.5
107.08589	19.8
109.06554	7.2
117.07035	5.3
119.08591	11.8
121.10146	11.9
121.71173	4.2
123.08074	4.9
131.08574	11.0
133.06508	5.0
133.10118	14.0
143.08595	7.4
145.10117	8.8
147.11742	6.7
149.09590	7.9
157.01433	4.4
157.10136	12.2
159.11784	8.0
161.09610	6.3
161.13332	6.3
163.11261	4.7
171.11703	8.6
173.13309	6.5
175.03935	8.5
183.11736	6.4
187.14827	5.6
197.13269	5.0
240.92416	4.3
271.06030	86.0
272.06369	100.0
272.09308	6.2
273.06790	10.7
395.25797	14.4
413.27020	26.0
431.27945	38.5
462.18457	5.2
485.32343	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	580.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73034	2.3
53.03938	2.8
55.01859	3.4
55.05522	12.4
57.03428	8.2
61.83591	2.7
67.05509	35.1
67.26790	2.9
69.07072	16.9
79.05508	19.5
81.07066	41.2
83.08613	16.5
85.06558	3.3
91.05482	9.7
93.07042	24.0
95.04962	5.4
95.08614	45.1
97.06510	4.1
97.10173	3.2
98.20659	5.9
105.07003	7.7
107.08582	20.3
109.10139	10.5
112.08733	2.3
117.07021	6.6
119.08587	9.1
121.02907	4.6
121.10131	13.7
123.11764	4.4
133.10124	5.8
135.11691	24.3
138.59805	2.4
141.47493	2.7
145.10115	19.0
147.11646	5.0
163.11179	27.8
180.52911	2.7
181.12224	8.4
227.12779	48.4
238.93510	3.0
250.14552	2.7
272.06378	6.5
283.15363	35.3
337.27371	100.0
376.98300	2.7
383.49402	3.3
530.38989	3.3
545.38470	48.9
545.46436	2.8
581.39874	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	580.369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.1
55.05496	18.9
57.03434	18.4
65.03949	2.8
67.05503	27.3
69.03417	8.6
69.07054	7.6
69.53916	8.6
69.54343	11.9
70.06578	18.4
71.04990	9.4
72.08154	3.1
74.48442	2.9
79.05487	36.7
81.02975	5.3
81.03416	48.5
81.07060	31.7
83.04960	6.3
83.08601	14.4
85.02930	16.2
86.09679	4.4
91.05476	29.3
93.07030	24.0
95.04984	29.8
95.08593	15.0
97.02898	7.4
97.06538	8.1
97.10143	10.5
98.21489	6.7
103.05492	4.7
105.03370	7.8
105.07018	19.7
107.04952	22.4
107.08611	14.8
109.02859	7.8
109.06519	19.1
109.10162	16.0
110.54289	3.2
111.04411	4.1
111.08071	6.1
117.06989	7.0
119.04911	5.0
119.08575	14.3
121.02777	3.4
121.06492	14.4
121.10159	15.9
123.08041	7.5
123.11698	3.3
125.05930	3.1
125.09631	15.6
127.03865	4.1
129.07014	9.4
131.05003	3.1
131.08545	15.1
133.06436	4.7
133.10158	10.5
135.08052	7.6
135.11629	3.9
137.05942	4.6
137.09573	3.2
145.06499	8.5
145.10103	7.4
147.04419	6.3
147.08029	6.3
147.11652	10.1
149.06000	3.3
149.09564	4.5
157.10092	10.7
159.08012	5.0
159.11789	3.2
161.09694	4.5
163.11174	9.9
167.07030	12.3
167.08504	3.7
171.11584	5.7
173.11772	4.5
175.11163	7.8
189.11227	8.0
193.12161	16.7
219.13811	11.1
225.63121	3.5
229.14397	9.1
237.14803	4.4
238.12952	3.1
241.14407	3.1
259.15466	5.3
267.15933	44.8
271.06021	66.2
272.06354	76.3
273.14886	5.9
293.17532	4.4
318.32654	3.3
331.20422	3.1
349.21494	5.3
367.22812	19.3
383.24249	4.8
385.23795	23.6
403.24710	11.1
434.11948	5.3
459.27411	100.0
477.28482	66.1
491.29840	9.7
495.29184	3.7
539.09540	4.0
580.34637	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	580.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	8.2
55.05511	20.1
57.03440	11.1
57.25747	3.7
61.02927	8.6
61.61654	3.1
63.04677	3.4
67.05505	49.6
69.03427	6.3
69.07069	23.3
70.06586	8.8
70.17828	9.3
70.18224	7.4
71.04991	9.1
73.02904	4.0
79.05490	27.2
81.03417	16.3
81.07065	45.7
83.04970	6.5
83.08619	9.0
85.02909	13.2
86.09645	3.4
91.05492	31.7
93.07051	26.6
95.04971	16.6
95.08628	21.7
97.02909	7.4
97.06534	7.5
97.10175	6.1
105.03349	3.9
105.07015	21.6
107.04940	7.5
107.08618	20.0
109.02854	4.3
109.06438	4.2
109.10159	31.9
117.02157	3.6
117.07025	7.3
119.04969	5.6
119.08596	14.6
121.02872	3.9
121.06499	4.8
121.10142	13.2
123.08149	6.0
123.11729	5.8
125.09650	7.9
127.03958	4.9
131.08594	8.9
133.06503	4.8
133.10138	16.9
135.08105	4.8
135.11697	8.2
137.09637	4.9
145.10115	11.2
147.11720	11.0
149.09592	6.2
153.01840	4.9
159.11723	7.6
163.11201	10.1
167.07037	6.5
171.10268	4.0
171.11702	3.9
173.09709	4.2
173.11777	10.2
173.13287	4.4
229.14348	13.2
243.15964	5.7
253.18039	4.2
257.19092	5.9
271.06018	95.1
272.06360	100.0
273.06561	6.7
275.20105	16.9
285.16989	4.7
327.59189	4.3
349.23773	41.6
434.12204	4.0
477.27618	4.8
513.43225	3.9
580.17407	4.7
580.34167	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	580.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03950	2.3
53.72154	0.4
55.01868	2.5
55.05509	4.2
56.05033	4.4
56.25084	0.5
57.03437	3.5
57.07077	0.6
58.06599	0.8
60.04524	100.0
61.02931	1.7
67.05502	9.2
68.05025	1.1
68.99797	1.0
69.03430	12.3
69.07076	4.0
70.06593	2.5
71.04996	1.9
72.04514	3.4
73.02940	2.4
74.06081	3.7
79.05055	0.9
79.05486	6.5
80.05024	1.2
81.03413	12.0
81.03863	0.8
81.07054	10.5
82.06586	2.3
83.04986	1.2
84.04509	1.9
84.08173	1.6
85.02905	19.0
85.06571	0.6
86.06086	2.0
87.00826	5.3
87.04487	0.7
88.57942	0.5
90.05552	1.4
91.03964	0.6
91.05478	6.3
93.07040	6.2
94.06569	2.4
95.04989	1.9
95.08602	10.0
95.09164	0.6
96.08152	1.6
97.02893	5.6
97.06500	1.0
97.10186	1.3
98.06077	1.0
98.20719	1.2
99.04456	4.1
100.07620	1.1
101.02323	0.7
102.05556	1.9
103.03905	0.7
104.07121	2.1
105.01852	3.5
105.04433	0.5
105.07050	2.2
107.08582	3.6
108.08127	0.8
109.02879	10.3
109.06505	0.6
109.10158	3.4
110.06029	0.7
111.08118	0.6
111.62749	0.5
112.07616	1.1
115.05553	0.6
117.01869	0.9
117.06995	1.0
119.08607	1.6
120.08125	0.8
121.06527	0.6
121.10135	3.7
123.11736	2.3
124.07622	0.6
126.05563	0.6
127.03913	15.0
127.04813	0.8
128.07124	1.0
129.01871	1.5
131.04932	0.8
131.08601	2.1
133.10141	2.0
135.11667	3.5
147.02913	0.7
147.11786	0.8
149.13254	1.0
153.01807	1.0
159.02863	3.6
159.11725	0.6
161.13239	0.8
167.03433	1.2
167.06989	0.7
187.05945	0.8
205.81448	0.6
206.04453	0.8
206.10516	0.7
210.07677	0.7
231.05043	1.6
243.06114	1.0
243.21196	0.6
248.23788	1.4
255.13899	0.6
260.23868	2.1
261.22134	0.9
266.24741	1.0
270.04926	0.7
271.05984	3.6
271.13324	1.6
272.06305	4.4
274.09433	0.7
278.24738	6.6
285.07535	6.0
286.07874	7.2
287.08218	0.8
296.25839	11.1
310.11346	2.2
314.26874	28.3
320.25827	0.8
332.11227	1.8
332.27942	82.2
333.28250	2.1
338.27286	0.6
356.28174	1.5
374.28986	4.2
418.14948	0.9
422.28796	0.8
482.31436	0.9
494.33328	1.6
500.31982	0.7
518.33087	1.7
526.29962	2.4
536.34320	7.2
544.31140	1.8
562.32129	6.5
573.12573	0.7
580.33264	86.6
581.33771	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	580.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01878	1.5
55.05516	8.0
57.03426	2.3
57.07073	1.7
59.04994	1.3
59.23544	1.5
60.04533	1.6
61.02926	3.4
65.03962	2.0
67.05504	15.1
69.03430	6.1
69.07073	10.4
70.06602	8.9
71.04996	4.2
71.51812	1.3
72.05333	1.6
72.08146	2.8
73.02928	2.2
79.05495	10.9
81.03432	7.7
81.07061	35.5
82.07393	2.4
83.04998	2.3
83.08624	4.8
84.08145	4.1
85.02915	19.6
85.06532	3.2
86.09719	3.3
87.00850	1.7
87.04497	1.7
88.02230	1.8
90.70322	1.2
91.05479	16.4
93.07052	27.4
94.06536	1.5
95.04980	5.0
95.08614	36.3
96.08145	1.8
97.02887	7.9
97.06549	2.2
97.10167	4.2
99.04463	2.3
101.61434	1.3
103.18394	1.2
105.03362	5.5
105.07033	33.9
107.04970	1.8
107.08600	32.4
108.08112	2.0
109.02901	6.8
109.06544	2.8
109.10167	27.2
110.09703	2.5
111.08052	2.5
113.09619	1.3
119.04960	10.1
119.08588	23.1
120.08132	1.9
121.02885	3.6
121.06550	2.5
121.10151	16.2
122.06013	1.6
123.04469	2.1
123.08051	2.0
123.11731	7.5
124.07614	5.3
125.05975	1.6
125.09605	5.7
127.03922	7.4
128.07121	2.1
129.10226	1.7
131.04926	1.2
131.08536	2.8
133.02843	2.8
133.06500	2.0
133.10136	19.4
135.04485	2.1
135.08099	1.8
135.11703	9.1
136.07559	2.7
137.05995	2.4
137.09619	2.1
139.11154	1.5
141.07127	1.1
145.04977	4.7
145.10149	2.9
147.04437	9.6
147.11697	24.9
148.07520	1.4
149.09743	1.2
149.13304	1.9
151.03879	1.4
151.11156	1.8
153.01831	5.0
154.02135	2.3
159.08055	2.0
159.11703	2.5
159.19351	1.1
161.05972	1.3
161.13245	12.1
161.16058	1.2
163.03931	1.7
163.06018	2.5
163.14832	4.3
165.12767	3.7
165.62869	1.1
167.07083	6.7
168.07512	1.7
173.06004	2.3
175.03912	12.1
175.07533	1.5
175.14816	6.5
177.05522	2.7
178.08594	1.7
181.04985	1.3
195.03000	1.5
203.17970	52.0
206.04530	2.3
207.06511	23.7
212.10805	1.2
212.12781	6.1
218.08208	3.7
219.08517	3.2
221.19066	4.3
243.06271	2.7
255.13803	3.5
256.14087	1.5
259.17889	1.2
271.06027	89.8
272.06366	100.0
273.06732	4.9
274.07230	4.2
285.07587	11.4
286.07864	14.5
302.06519	2.1
314.13858	1.4
314.17764	1.3
400.14432	6.3
418.15067	7.5
434.11621	3.7
438.80701	1.3
448.13184	3.1
548.20184	3.0
580.19049	2.2
580.27625	3.4
580.34924	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	580.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.1
55.01859	2.1
55.05495	3.7
56.05033	2.2
57.03437	1.6
60.04515	2.2
65.03910	1.6
65.75678	1.7
67.05502	10.3
69.03428	4.0
69.07058	4.2
70.06605	10.0
70.08506	6.2
71.04985	2.6
73.02917	1.9
79.05472	7.0
81.03419	9.3
81.07056	11.0
82.19406	1.7
83.04972	3.6
83.08608	2.7
84.08105	3.6
85.02887	6.6
86.09708	3.0
91.05487	12.1
93.07034	8.4
95.04948	4.7
95.08585	7.5
97.02858	4.3
97.06530	1.6
98.20840	3.2
100.07616	2.3
105.03382	3.9
105.07006	4.0
107.04930	3.8
107.08588	5.7
108.08071	2.4
108.37852	1.5
109.02887	3.2
109.06526	2.7
109.10155	13.3
111.04388	1.9
117.07003	2.6
119.04925	4.4
119.08543	4.2
121.06463	2.3
121.10111	6.3
123.11707	11.4
127.03877	2.8
128.07066	6.6
130.06480	1.9
133.02888	2.8
133.06480	2.0
133.10109	3.3
134.05980	3.0
135.11621	3.8
136.06183	2.6
137.05963	2.6
145.06485	2.1
145.10162	3.2
147.04404	15.6
153.01740	2.6
153.86853	1.6
154.02136	2.4
156.08015	2.8
157.08430	2.1
157.10086	1.8
159.07970	2.0
159.11713	2.3
167.03349	2.0
167.07068	5.1
175.03908	100.0
177.05489	3.1
181.04990	2.0
189.05423	5.2
191.07045	2.2
203.07021	3.3
207.06435	3.1
217.08565	3.2
241.08609	5.2
255.10155	2.1
255.13783	2.2
271.06009	50.8
272.06354	60.9
274.07190	2.5
279.28241	1.7
290.07938	1.9
297.14847	43.6
361.39334	1.8
395.34650	1.8
418.14798	6.1
434.11115	4.1
534.18787	1.8
534.34009	4.2
548.20306	1.9
562.14551	2.9
580.16144	3.2
580.35449	10.2
589.59918	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	579.26
Annotation	Phellophyll a
Peak:m/z	Relative Intensity
51.75866	1.0
52.93496	1.1
56.24370	1.0
61.67581	1.0
67.05499	1.4
82.13083	1.0
98.21644	2.4
104.66015	1.3
139.17094	1.1
171.40198	1.1
184.83327	1.1
271.06003	4.9
276.27472	1.2
290.23541	1.4
315.51840	1.3
363.15747	1.5
379.19333	2.0
390.18790	1.7
391.19266	1.6
393.20969	2.1
404.20181	1.4
405.21255	1.8
406.17609	1.7
407.22549	2.4
420.19662	1.8
421.20062	9.2
433.16205	2.3
434.17343	1.7
435.17245	6.4
435.22885	2.5
436.22574	9.9
437.22974	1.5
447.17307	1.8
447.22263	2.4
448.18790	2.6
449.19119	10.3
450.24805	2.0
462.20554	2.0
463.21182	7.8
464.21710	2.3
467.37515	2.2
475.20749	7.9
477.22873	4.6
491.24313	4.1
492.21527	17.4
493.22061	2.4
494.23059	1.1
503.24496	2.4
507.27429	2.0
519.24292	2.0
522.22607	1.3
523.26971	9.3
524.27747	1.9
533.25433	1.8
535.27246	2.5
547.23431	2.9
551.26532	24.7
579.26013	100.0
580.26331	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	579.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
54.00877	1.1
55.01858	4.8
55.05503	11.6
57.03438	7.4
57.07054	3.1
62.29441	1.2
65.03954	3.0
67.05505	73.8
69.03416	3.3
69.07076	11.1
69.96233	3.3
69.96637	2.6
71.04979	2.7
71.08616	2.3
73.02898	3.2
75.04462	2.1
79.05492	37.0
81.03413	7.4
81.07056	87.3
83.04964	2.7
83.08604	9.5
85.02891	5.0
85.06536	2.7
91.05489	20.2
93.07045	59.3
95.04963	2.8
95.08606	62.1
97.02876	2.5
97.06546	2.9
97.10162	3.6
98.98461	14.0
99.04449	4.5
105.07033	14.9
107.07878	2.3
107.08594	36.7
109.02876	9.8
109.06506	2.9
109.10147	37.4
110.03645	3.1
111.04428	3.5
113.09618	1.7
117.07004	10.2
119.08583	17.5
121.06529	1.1
121.10142	33.0
123.08098	1.6
123.11706	20.8
125.09679	1.2
125.68232	1.3
127.03893	4.2
128.06256	1.6
129.06985	2.0
131.08568	20.3
131.13509	1.3
131.71277	1.0
133.10135	15.4
135.11684	29.0
135.30544	1.2
137.09604	2.0
137.13263	7.9
139.11137	2.0
143.08537	3.1
145.10135	15.9
147.11688	11.0
149.13266	16.6
151.11218	2.0
151.14864	2.7
153.12730	1.4
155.01050	17.2
157.10185	1.5
159.11713	15.7
161.13257	9.9
163.14822	11.7
165.12698	2.3
165.16290	1.3
169.10104	1.3
171.11601	1.7
173.13268	14.6
175.14865	2.8
177.16383	2.9
179.14339	1.8
185.13275	1.5
187.14783	7.2
191.00102	4.4
199.14812	1.7
201.16376	2.3
205.15889	1.9
215.17899	1.4
219.17410	1.7
233.22705	3.0
243.21074	28.2
245.22644	2.8
259.20538	1.5
261.22147	100.0
262.22418	2.1
263.23740	7.0
265.59943	1.1
271.03122	1.3
271.06027	26.4
275.23831	1.3
277.21838	1.1
279.23114	5.9
303.23154	1.8
317.06180	1.4
324.89697	1.3
335.25775	18.8
337.27396	10.7
353.26883	81.1
369.24197	2.4
377.26819	2.3
389.26971	1.4
443.27490	2.5
451.21515	2.5
469.22125	2.2
485.22119	1.4
561.27570	7.7
577.65277	1.5
579.28119	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	579.171
Annotation	Galanginoside
Peak:m/z	Relative Intensity
53.03933	0.6
55.01881	0.7
57.03442	4.1
57.46103	0.5
61.02922	1.3
67.01859	0.8
67.05492	1.1
68.99796	0.5
69.03429	2.1
69.07049	0.5
70.06582	0.9
70.64267	1.6
71.04986	2.0
73.02919	6.9
77.03918	0.7
77.86585	0.5
78.58822	0.4
79.05482	0.8
81.03412	2.3
81.07053	1.0
84.08174	0.6
85.02899	5.5
86.09702	0.8
91.05475	2.2
93.07057	0.6
95.04964	1.1
95.08590	1.2
97.02893	2.1
105.03396	1.1
105.07082	0.5
105.91574	0.5
107.04986	0.9
107.08601	1.0
109.02850	1.6
109.10144	1.0
111.04459	0.6
115.03891	0.9
119.04941	2.0
119.08575	0.9
121.02853	1.4
121.06512	0.6
122.03700	0.6
127.03900	1.3
129.05505	0.7
131.08601	0.7
133.02855	1.1
133.06511	3.2
133.10135	0.5
135.04408	4.7
137.05952	0.7
140.37129	0.5
145.06543	0.9
147.04399	1.9
149.02332	0.9
151.03911	1.9
153.01823	4.8
156.18590	0.5
159.04362	1.1
159.11650	0.5
163.03920	1.7
165.01842	5.5
167.03435	1.5
167.07065	2.5
171.02863	0.6
171.08141	0.7
173.05959	1.0
175.03868	1.6
177.01830	1.0
177.05431	0.9
181.04877	1.1
183.02899	1.9
187.03937	0.6
195.02895	2.0
207.06537	1.0
215.10493	0.6
243.06615	0.9
253.08545	0.6
255.06485	2.0
255.13811	2.1
266.05792	1.4
271.06015	100.0
272.06381	1.4
280.07251	2.3
281.08203	4.0
282.05276	0.9
284.06793	3.1
285.07599	4.2
287.05505	5.4
293.08124	0.7
294.08792	1.3
295.09619	3.9
297.07584	51.7
298.08282	5.2
303.05029	1.2
308.06796	2.2
309.07593	5.6
309.11154	1.1
311.09158	1.5
312.06253	0.7
319.09775	0.7
320.06772	0.5
321.07547	1.6
322.08328	1.9
323.05618	0.7
323.09073	12.1
325.07202	0.7
327.08624	55.0
328.09058	0.8
331.08252	1.4
335.09171	1.5
337.06772	0.8
337.10663	9.3
347.09210	1.7
351.08636	26.0
362.76105	0.5
363.08603	6.9
365.10120	1.7
375.08588	4.2
381.09714	15.2
393.09659	12.3
399.18518	0.6
411.10739	14.6
429.05817	1.1
429.11780	20.4
433.11200	4.5
447.12885	22.8
465.31595	0.5
579.20825	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1704
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
52.91563	0.1
56.23579	0.1
56.24514	0.1
67.01852	0.5
68.99794	0.5
71.04983	0.6
71.17165	0.3
74.74588	0.1
85.02897	1.0
91.05471	0.4
119.04942	1.9
121.02856	0.7
129.01814	0.2
129.05501	0.3
145.02859	0.6
153.01831	4.8
163.03870	0.4
171.02888	0.5
225.05516	0.3
229.04945	0.2
233.24396	0.1
233.56834	0.1
243.06523	0.4
247.06119	0.2
256.66251	0.1
271.06009	100.0
272.06372	0.8
335.04056	0.1
433.11377	0.4
579.16864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.1
55.01869	7.1
57.03428	5.8
59.93719	2.1
61.02918	3.3
65.03944	4.0
67.05495	4.0
68.99826	2.9
69.03423	7.8
69.07041	2.6
70.06598	22.8
71.04987	3.5
71.52350	3.3
72.08144	10.2
74.06079	5.0
79.05483	4.9
81.03408	10.0
81.07064	3.0
83.01337	2.8
84.04481	3.6
84.08157	11.9
85.02899	23.2
86.09708	11.5
89.07146	2.2
91.05482	8.1
93.03421	8.9
95.04950	5.9
97.02890	10.8
99.58528	2.2
99.92339	2.5
105.03407	3.7
105.07036	4.7
107.04942	26.5
109.02898	13.8
109.06524	3.1
110.13174	2.7
111.04456	3.2
117.07048	4.6
119.04957	14.4
119.24464	2.5
120.08079	7.1
121.02876	34.2
121.06480	11.4
123.04413	12.8
127.03914	8.5
127.08656	2.4
129.07040	3.5
129.10233	5.9
129.95157	2.5
131.04936	7.1
133.02841	2.3
133.06479	7.1
133.10141	6.4
134.10425	2.7
135.04413	23.0
137.05977	5.9
139.03906	3.8
145.02838	3.2
145.06511	7.3
147.04414	25.5
149.02350	4.0
149.05968	4.7
151.03908	8.3
153.01839	5.3
154.04944	2.8
159.04424	8.5
161.06007	7.2
163.03873	4.9
165.01854	7.4
165.05496	4.8
167.07019	9.6
171.02905	2.8
171.04453	3.7
173.05980	14.6
175.00273	3.3
175.03929	10.0
175.07549	4.7
177.01845	17.6
177.05522	8.1
181.05002	6.1
183.02859	6.9
183.08006	2.9
185.05951	4.9
187.03934	12.0
189.01804	19.0
189.05490	6.2
190.02686	2.6
191.03320	14.4
195.02925	29.3
197.05974	2.8
198.36366	2.5
201.01953	4.2
201.05476	16.7
203.03351	11.5
203.06950	4.4
205.01300	3.8
205.05011	5.8
207.02895	30.4
207.06491	2.7
209.04384	3.9
213.05406	3.0
215.03392	17.3
217.01427	4.7
217.04887	7.4
219.02885	73.2
219.04912	5.5
221.00806	3.0
221.04449	9.5
223.02397	7.8
224.36667	2.8
225.03940	11.2
227.03447	5.6
229.04985	23.1
231.02895	42.3
231.06354	3.2
233.04465	21.9
237.03943	3.3
239.03510	2.9
243.02905	26.8
243.06573	5.4
244.03806	3.0
245.04446	9.0
247.05896	4.2
249.03935	22.4
253.05020	3.6
255.02905	8.3
257.04443	21.0
259.02322	4.7
261.03943	100.0
269.04462	11.0
271.06033	55.1
273.03995	29.9
275.05450	4.1
281.04532	3.8
283.05991	3.1
285.03964	58.9
285.07187	2.4
287.05594	12.0
291.05035	16.2
297.03915	15.4
297.07535	9.7
299.05536	17.3
303.04971	25.7
309.03903	8.1
309.07388	4.9
311.08923	3.4
315.05045	12.5
321.06030	14.5
327.04977	47.4
327.08643	11.2
331.11743	3.1
339.08041	28.9
345.06097	14.7
351.08679	18.0
357.06113	8.0
363.07053	43.7
369.05945	7.1
375.07404	6.5
381.09741	33.4
387.07242	8.3
393.09418	22.2
405.08362	33.8
411.10779	10.1
417.11664	17.9
423.09778	22.2
429.11957	26.3
433.11063	3.8
435.10870	3.8
441.10852	34.3
447.10693	30.7
459.12866	31.4
465.11859	11.7
477.11725	6.9
483.13031	20.2
493.18011	2.6
495.12888	15.0
507.12759	9.3
525.13800	14.3
543.14984	15.6
579.20837	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	579.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.1
53.84351	0.1
55.05516	0.1
57.03435	0.6
58.72193	0.1
67.01864	0.4
68.99792	0.3
70.33115	0.1
70.41727	0.1
70.42121	0.2
71.04991	3.1
73.02887	0.1
75.04449	0.1
83.04978	0.1
85.02905	3.8
87.04421	0.1
91.05473	0.3
96.80145	0.1
109.02867	0.1
111.00855	0.1
111.04432	0.1
119.04938	1.2
121.02859	0.5
129.01755	0.1
129.05469	0.8
145.02847	0.5
147.06496	0.1
153.01826	3.7
163.03845	0.3
171.02904	0.4
197.05975	0.1
199.19867	0.1
203.06996	0.2
225.05391	0.3
229.04904	0.3
243.06552	0.2
253.04962	0.1
271.06000	100.0
272.06332	0.9
313.07205	0.1
399.04840	0.1
433.11301	11.7
434.11652	0.2
451.12766	0.1
579.16852	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	579.1706
Annotation	Rhoifolin
Peak:m/z	Relative Intensity
53.03935	2.0
55.01870	1.6
55.05504	1.9
56.98452	0.7
57.03438	5.5
59.05000	1.9
59.06136	0.8
60.62471	0.7
61.02925	1.1
65.03922	1.5
67.05476	2.3
69.03417	3.0
69.51337	6.3
70.06586	6.1
71.04992	22.0
72.08134	2.5
73.02897	1.5
75.04459	0.7
75.05530	0.9
79.05479	1.2
81.03403	3.3
81.07050	2.3
83.04976	2.4
84.04498	0.9
84.08118	1.3
85.02900	25.6
86.09705	2.7
87.04474	0.9
91.05479	2.8
93.07031	1.4
95.04940	1.8
95.08570	1.0
97.02874	3.7
99.04417	1.5
102.75191	0.8
105.07030	1.3
107.04939	1.4
107.08587	1.9
109.02871	2.5
109.10126	1.2
111.04412	1.1
116.07062	0.8
119.04961	3.9
119.08575	1.3
120.08151	1.9
121.02846	6.0
121.06429	0.8
121.10201	0.7
125.09682	0.8
127.03888	2.6
129.05472	3.8
129.10216	1.5
131.08533	0.9
133.10130	1.1
136.07568	1.3
136.58403	0.7
137.05930	1.1
145.02843	3.6
147.04414	2.1
149.02278	1.7
151.03874	1.3
153.01877	1.7
161.19868	0.9
163.03885	3.6
165.01804	8.3
167.03421	3.8
167.07031	7.1
173.05942	1.6
173.36888	1.0
175.03896	2.8
177.01846	1.6
177.05510	1.2
181.04950	4.0
183.02879	2.7
187.03935	1.2
191.03477	0.9
192.12541	0.8
193.05161	1.1
195.02861	2.4
201.12599	0.9
206.04398	1.0
207.06531	6.6
211.06160	4.0
215.03448	1.0
229.04947	0.9
231.02759	1.0
233.04318	1.1
239.07018	1.7
250.40437	0.8
255.13957	1.9
256.20981	0.9
261.03967	1.2
267.06546	8.5
270.05234	4.2
271.06009	30.0
281.08115	7.9
283.05997	94.8
284.06726	10.8
293.08282	1.2
295.05981	13.0
295.09723	3.1
297.04184	1.1
297.07529	3.6
305.08026	3.3
307.06015	1.7
309.04089	1.6
309.07523	23.5
311.05405	1.2
313.07037	100.0
317.06375	1.4
321.07434	2.8
323.05673	0.9
323.09113	19.2
325.06998	1.1
331.12970	0.9
331.17157	1.4
333.07513	3.4
337.07034	42.1
346.02032	0.8
349.07013	11.2
351.08527	2.8
361.06970	8.4
367.08121	26.6
379.08112	20.6
387.14050	1.0
397.09180	22.7
415.10211	43.4
417.11362	1.8
433.11292	60.9
434.11362	1.8
488.95413	1.0
579.21313	3.0
579.31201	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18388	0.4
53.03930	1.3
55.01858	1.7
55.05507	1.4
55.69179	0.4
57.03425	1.9
57.07064	1.5
57.72038	0.5
58.99582	1.3
61.02920	1.1
65.03925	0.7
65.32596	0.4
67.05495	1.9
67.59070	0.4
68.80450	0.4
68.99799	0.4
69.03426	42.9
69.07069	2.1
70.06574	2.1
71.01344	0.4
71.04978	1.2
71.07090	0.7
71.17413	0.4
72.08131	0.8
73.02892	0.9
76.02230	3.7
79.05489	2.1
81.03421	6.0
81.07053	3.6
82.06548	0.5
83.04981	2.2
83.08608	0.6
84.04492	0.5
84.08121	3.0
85.02907	13.8
85.06522	1.3
86.09710	3.6
86.99049	0.6
87.00820	5.3
88.03987	0.5
91.03952	0.4
91.05468	2.8
93.07048	3.6
95.04977	0.9
95.08598	5.6
97.02886	4.9
97.06529	2.3
99.04448	2.6
99.47929	0.4
100.02184	0.7
101.02350	0.5
103.03947	0.6
105.00109	0.7
105.01871	3.1
105.07034	4.2
107.04938	1.4
107.08588	9.4
109.02869	5.8
109.06499	3.0
109.10130	1.6
111.08073	2.4
117.01824	0.9
117.07010	1.0
119.04932	1.6
119.08574	3.2
120.05282	0.6
120.08104	3.5
121.02869	8.1
121.06520	2.1
121.10136	10.2
122.02661	9.7
123.08028	2.5
123.11709	6.1
125.09625	14.1
127.03915	8.8
128.07074	1.6
129.01801	1.0
129.10243	2.3
130.08615	0.5
131.08553	3.9
133.10126	3.9
135.08055	8.0
135.11667	4.4
143.08514	0.9
145.02821	0.9
145.04945	3.4
145.10158	2.4
146.02672	0.5
147.04382	0.8
147.11690	2.2
149.09610	7.3
149.13255	3.1
151.11159	1.1
153.09099	4.8
154.04941	1.5
158.02586	0.4
158.10875	2.7
159.02863	2.5
162.05563	0.6
163.11185	2.3
163.14795	5.6
164.03743	0.6
165.12764	2.8
167.05251	1.2
167.10747	1.1
173.13264	15.1
175.03845	0.6
176.11989	0.5
177.10219	1.1
179.03395	0.5
188.03993	0.5
189.01767	1.4
189.03604	0.5
190.02188	0.6
190.05177	0.6
191.03162	0.4
191.14297	60.2
192.14615	0.7
195.02872	2.0
196.03198	1.2
203.03407	2.1
204.03693	2.1
205.09729	0.6
207.02818	1.5
207.06490	0.6
208.03242	0.9
209.15356	100.0
210.15697	1.0
213.03931	0.6
217.04962	0.6
218.05316	0.7
221.04417	1.0
223.11569	3.0
226.11786	0.5
229.04967	1.1
230.05174	0.9
231.04956	1.3
233.04424	1.0
241.12553	3.2
244.03004	0.5
252.07425	0.5
255.02898	0.6
256.03281	0.8
261.15512	1.0
268.07104	0.8
269.07538	0.9
271.05969	1.5
279.06442	0.7
280.07025	0.8
282.08478	0.6
283.05881	0.7
284.06396	1.8
292.07205	0.4
293.07751	1.2
294.05255	1.0
294.08411	0.8
295.05966	10.1
295.09177	0.3
296.06351	16.7
296.09622	0.7
297.07190	1.6
298.07889	1.1
307.05945	4.7
308.06451	9.5
309.07172	4.5
310.07755	1.8
318.08426	0.5
320.06503	1.0
321.07492	4.4
322.08023	8.4
323.08670	3.8
324.05716	0.7
324.09314	1.7
325.07022	8.2
326.07373	17.3
328.05005	0.4
330.17325	5.6
333.07492	1.0
334.07950	2.1
335.09027	1.5
336.05847	0.6
336.09433	3.7
337.06879	3.1
338.07394	5.3
338.11115	0.9
339.08380	0.5
340.08847	0.6
346.07809	0.8
347.08762	1.3
348.09534	2.6
349.06906	3.8
350.07367	8.9
351.08609	3.9
352.09018	6.1
358.07816	0.6
360.09399	0.5
361.06924	1.6
362.07303	4.8
362.11127	0.8
363.08319	1.3
364.08984	1.3
365.09955	0.9
366.10687	2.0
368.08200	0.8
374.07333	1.9
375.08429	1.6
376.09052	3.7
378.06754	0.5
379.08130	3.7
380.08456	16.6
381.09259	0.5
386.07196	0.9
388.09048	0.8
390.06369	0.5
390.10693	1.8
391.07993	1.2
392.08466	6.2
393.09396	0.7
394.10022	0.6
402.10492	0.8
403.07990	0.7
404.08347	6.7
409.09219	2.9
410.04312	0.7
410.09555	10.8
416.08481	1.0
418.09827	0.9
421.09000	1.1
422.09360	5.7
427.10303	2.5
428.10669	11.6
429.10873	0.6
434.09616	1.2
436.11115	0.6
439.10013	0.9
440.10583	6.9
446.10233	2.1
457.11142	3.8
458.11630	18.8
464.10358	2.6
476.10403	1.0
481.11087	1.0
482.11652	12.5
488.10455	1.6
494.11438	1.4
500.12558	6.4
506.11664	2.2
512.12720	6.5
524.12744	7.7
530.13849	2.1
542.13708	10.0
543.28809	0.5
560.14789	10.1
578.14899	2.9
578.22772	1.9
578.31958	3.4
579.17090	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.01865	6.9
55.05518	28.5
56.99796	5.0
57.03428	12.6
57.07088	6.1
63.71778	6.3
67.05499	100.0
69.07075	30.8
69.66504	12.8
69.66918	23.8
71.04982	11.5
71.08630	6.0
73.69331	5.5
77.05996	5.4
79.05493	64.8
81.03420	20.2
81.07056	97.3
83.04968	9.7
83.08622	22.4
85.06532	12.7
86.21861	5.0
86.81233	5.0
91.05481	56.6
93.07040	79.0
95.04957	20.0
95.08607	66.5
97.06537	10.1
97.10165	21.2
98.21510	6.2
105.07024	57.4
107.08599	37.0
109.06559	11.5
109.10165	33.2
117.07015	25.7
119.08595	47.3
121.06541	5.1
121.10139	35.9
123.11691	9.8
125.09651	11.4
129.07002	18.8
131.08571	31.6
133.10097	28.4
134.12370	6.4
135.08122	8.9
135.11687	18.1
143.08549	13.4
145.10135	21.2
147.11690	23.8
149.09653	8.9
149.13254	11.5
153.09163	6.0
157.10149	16.1
159.11691	16.9
161.13271	11.9
163.14864	6.5
169.10155	5.8
171.11694	19.2
173.13229	11.8
175.03891	7.0
181.10112	8.7
183.11613	6.6
183.39871	5.8
185.13232	11.9
189.11267	11.8
193.12282	6.3
197.13281	6.7
199.14853	7.5
227.12779	19.0
261.22214	10.7
265.39267	6.1
267.15884	16.2
289.21539	6.2
301.25183	11.6
335.25845	17.7
363.25189	9.3
435.32587	12.4
453.33432	12.1
465.91882	5.2
471.35144	11.7
509.36301	6.8
527.37384	60.5
545.38190	52.6
559.39874	13.2
577.37494	21.6
578.86969	5.8
580.92072	5.7
586.05914	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	578.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.1
55.01858	5.6
55.05501	4.4
55.53060	1.2
56.05033	1.7
57.03419	5.1
57.07056	2.7
58.99578	3.9
60.04511	3.4
61.02913	4.8
67.05479	4.7
67.12986	1.3
68.99776	4.2
69.03428	32.4
69.07062	7.2
70.06594	11.5
71.04995	7.3
71.52164	2.1
71.52525	1.3
72.08131	4.9
73.02921	7.3
74.00661	4.1
76.02223	6.5
79.05479	9.8
81.02927	1.9
81.03413	34.8
81.07065	10.9
83.04980	6.6
83.08629	1.9
84.04482	3.7
84.08134	4.0
85.02905	46.1
85.06538	2.0
85.25882	1.3
86.00613	2.0
86.06055	1.7
86.09682	3.9
86.99077	1.4
87.00820	16.7
87.04453	2.0
88.02216	3.4
91.03933	2.5
91.05476	15.4
93.07048	12.0
94.06573	1.5
95.04968	5.0
95.08621	9.8
96.08102	1.7
97.02884	18.8
97.06507	2.0
97.10149	2.3
99.04453	12.8
100.02197	7.0
103.03918	1.5
105.00063	2.2
105.01894	9.5
105.03392	4.1
105.07035	9.4
107.04962	3.5
107.08599	31.1
109.02879	31.9
109.06501	2.8
109.10146	7.8
111.08131	2.5
112.02172	1.8
115.05447	1.6
116.07095	3.2
117.01798	2.9
117.07015	2.1
119.04934	11.5
119.08591	4.9
120.08088	2.6
120.99318	1.3
121.02864	4.2
121.06503	4.0
121.10143	10.2
122.02708	17.3
123.04395	2.1
123.11697	2.2
125.04228	1.4
125.09602	4.1
126.03751	7.9
127.03920	35.9
128.07069	2.0
129.01822	3.3
129.10229	1.6
130.05049	1.6
131.08536	5.4
132.01135	3.1
133.10138	4.9
135.08073	7.4
135.11690	7.6
136.07518	1.8
137.05986	2.0
137.09610	3.3
139.05780	2.8
144.74319	1.3
145.04967	9.0
145.06056	1.5
145.10121	2.8
146.02725	4.4
146.06009	1.7
147.02919	2.2
147.04405	8.2
147.11719	8.2
149.09604	5.2
149.13239	4.2
151.03864	2.0
151.10123	1.4
151.11156	7.2
152.05278	1.5
153.01816	3.2
158.02733	4.6
159.02911	9.7
162.05489	2.3
163.05762	2.5
163.14835	6.3
164.06940	1.6
167.07056	5.3
172.04242	9.6
173.13269	12.4
174.05661	2.0
175.03899	8.9
177.04073	1.5
177.05498	1.7
178.05009	2.6
189.12735	2.0
191.08272	2.6
191.14342	12.0
192.08447	1.8
205.10506	2.2
206.04419	3.8
207.06532	20.4
207.13818	2.1
209.15433	4.7
210.05876	2.1
216.96452	1.4
223.11577	5.6
224.07378	3.1
225.14853	4.1
231.04912	4.0
248.14647	1.7
252.10536	1.6
255.06612	2.4
266.15674	6.6
267.06525	3.8
268.07156	3.4
271.06018	76.0
283.05988	4.0
284.06445	2.9
284.16733	3.7
294.15213	12.6
294.24115	1.6
297.07581	9.2
308.13284	2.2
309.07620	1.4
312.16257	71.2
313.07123	6.5
314.07428	3.2
330.17337	100.0
331.08170	12.3
338.07590	2.4
398.21506	1.7
417.11871	5.4
433.10995	3.6
476.96274	1.4
524.32678	1.8
560.20190	1.5
578.22559	87.1
579.22772	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	577.358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25283	2.9
53.03942	6.2
55.01583	2.8
55.01869	11.3
55.05507	27.0
55.39813	2.7
55.77270	2.8
57.03430	3.7
57.07064	13.3
57.18603	2.9
61.02920	3.7
67.05497	38.2
68.99786	3.7
69.03429	34.4
69.06718	6.1
69.07068	44.0
69.36108	7.4
69.36524	19.5
70.06592	50.9
71.04987	8.5
71.08629	6.7
72.08150	5.8
73.02925	6.4
73.86588	2.9
75.27464	2.8
77.03902	2.9
79.05485	23.2
81.03420	32.8
81.07059	100.0
83.04958	5.0
83.08621	31.6
84.08138	8.8
85.02903	60.5
85.06537	8.9
86.09705	7.4
87.00822	23.8
91.05450	24.0
93.07038	31.2
95.04976	9.9
95.08606	76.8
95.09183	6.1
97.02900	22.2
97.06502	6.0
97.07608	4.6
97.10157	18.1
99.04447	7.6
99.08101	9.5
103.05392	3.4
105.01880	17.8
105.03392	5.2
105.07025	18.3
107.04961	7.0
107.08599	29.9
109.02862	22.8
109.06506	7.0
109.10151	56.6
111.08081	4.6
111.11732	16.9
116.07101	43.3
117.07018	7.7
119.04935	10.2
119.08612	19.1
121.02903	4.1
121.06545	4.7
121.10145	21.9
123.08105	5.5
123.11710	29.1
125.09611	4.0
125.13255	5.9
127.03922	35.2
129.07034	6.3
131.04903	3.9
131.08551	11.2
133.06520	4.8
133.10127	9.4
135.04449	3.3
135.08075	5.2
135.11693	14.6
136.06177	3.5
137.13257	13.6
139.11177	4.4
143.08109	15.0
145.02904	5.5
145.04968	14.3
145.10150	6.4
147.04405	11.0
147.08002	4.0
147.11659	7.8
149.02319	7.3
149.05956	4.6
149.13281	24.3
151.03961	7.0
151.14842	11.2
155.08452	3.6
157.10056	6.0
159.02911	7.8
159.08105	6.5
159.11684	12.2
161.05977	4.8
161.09583	5.0
161.13274	4.8
162.05501	49.0
163.03969	5.7
163.11182	4.4
163.14815	7.1
165.09119	3.7
165.16350	7.1
167.03404	14.1
167.07039	12.3
167.14349	6.5
171.11656	5.8
173.13275	4.5
175.03934	9.0
177.05440	7.0
177.16397	3.5
179.17973	6.7
181.05006	4.9
183.11705	3.3
185.13261	4.4
189.05470	5.1
193.14439	3.1
199.07509	3.6
205.04987	4.3
207.06567	18.4
231.04938	6.2
255.13727	8.4
271.06039	5.2
273.14801	7.2
275.27313	11.3
287.05688	6.6
291.09711	11.3
293.28342	34.8
311.29446	14.5
313.25430	5.2
329.30518	3.5
383.29028	5.0
398.19626	4.2
401.30545	4.4
415.22296	29.9
416.11862	8.8
577.19104	6.0
577.27521	12.0
577.35596	6.4
578.21606	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	577.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91928	1.3
52.48785	1.6
53.03942	1.9
55.01873	2.0
55.05514	14.5
57.03440	10.7
57.07072	3.5
57.38804	1.4
61.43124	1.4
64.80286	1.4
65.03954	1.7
67.05508	62.1
69.03404	1.6
69.07069	12.5
70.08035	1.4
71.04981	4.3
71.08627	2.5
71.51891	3.2
77.03927	1.7
79.05495	40.4
81.03423	14.8
81.06593	3.2
81.07059	58.2
82.07361	1.5
82.20671	1.4
83.04962	2.0
83.08629	7.8
85.02893	2.2
85.06542	3.5
91.05466	23.2
91.54016	1.3
92.71893	1.7
93.07047	52.9
95.04955	6.2
95.08614	48.2
97.06528	3.5
97.10151	4.2
98.98470	97.2
99.04448	2.6
99.08106	2.5
103.27097	1.8
105.07036	23.2
107.08601	34.3
109.02892	7.1
109.06522	3.7
109.10159	22.3
111.08091	2.1
116.99515	3.9
117.07024	8.8
119.08582	20.5
121.02850	1.9
121.06486	1.6
121.10151	31.7
123.08073	2.4
123.11738	11.7
125.09692	3.2
127.03889	1.6
129.06923	1.8
131.08571	19.7
133.10106	16.2
135.08051	2.1
135.11696	23.9
137.13255	4.4
143.08563	2.3
145.10132	19.2
147.11682	14.2
149.02350	3.0
149.09567	2.0
149.13266	14.8
151.11215	3.3
151.14816	2.1
155.01050	100.0
157.10075	1.8
159.04391	1.9
159.11700	11.3
161.13281	10.6
163.11145	2.9
163.14847	9.9
165.12839	2.6
173.13289	12.0
175.03906	9.9
175.14850	4.5
177.12741	1.7
177.16438	4.1
179.14388	2.3
187.03944	2.8
187.14845	7.7
189.05339	2.2
193.05006	2.4
201.16371	3.7
205.15991	1.6
215.17905	1.9
227.12701	2.5
229.08597	4.1
231.10120	3.4
233.22560	3.9
243.02527	2.6
243.21124	26.8
247.09631	2.3
261.22162	58.6
275.20151	2.6
299.05200	1.8
313.14465	1.6
317.06299	14.9
317.24789	8.6
335.25793	82.0
364.02576	1.6
415.22556	7.4
415.91501	1.7
423.27332	6.4
550.43573	1.6
559.26318	3.8
559.35352	3.4
577.35980	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	576.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06491	3.0
52.00907	3.0
53.03919	3.6
55.05501	8.1
57.03426	14.0
57.07082	26.9
61.80156	3.3
67.05511	19.5
69.07056	11.9
69.95373	3.4
69.95685	18.4
71.04995	3.8
71.08630	21.4
79.05492	7.9
81.03416	62.0
81.07051	20.4
83.05000	3.9
83.08614	13.2
85.10165	9.6
91.05469	10.3
93.07021	6.1
95.04951	16.0
95.08603	15.3
105.07027	9.3
107.08604	4.3
109.10135	6.2
111.08039	4.2
119.08592	9.2
121.10086	6.3
129.06972	5.7
131.08560	5.4
133.10097	4.3
138.00894	3.3
149.09627	4.1
157.10120	5.0
158.82916	3.0
175.11197	5.7
181.65811	3.2
182.42355	3.5
193.12288	18.7
201.21887	3.0
203.39728	3.2
203.57510	3.4
267.15906	99.0
267.18655	6.8
313.27365	100.0
505.38931	60.3
576.36810	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	576.447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16257	4.5
55.05491	12.1
57.03424	15.9
57.07072	32.9
67.05499	15.5
69.07079	6.3
69.43983	23.4
69.44408	22.1
71.08631	24.6
75.05579	4.8
79.05482	8.8
81.03420	69.3
81.07047	23.8
83.04939	6.4
83.08607	17.5
85.10166	15.1
88.65838	5.8
91.05479	9.5
93.07044	10.5
95.04965	18.4
95.08588	20.3
97.10150	9.4
98.21529	9.5
105.07039	6.9
109.10139	7.0
111.08083	6.2
119.08595	11.5
119.69975	5.3
129.06964	6.1
133.10146	7.2
147.11676	9.0
157.10147	7.1
175.03946	7.8
193.12254	22.5
267.15894	99.9
267.18628	8.7
313.23727	6.0
313.27368	100.0
341.14505	6.0
356.39258	5.7
368.48215	5.6
470.08252	6.0
505.38953	80.5
576.36273	19.2
601.19897	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.6125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.05268	3.1
55.05511	40.1
57.07077	76.0
61.84783	2.0
67.05186	3.1
67.05507	45.3
68.05851	2.4
69.07068	68.7
71.04978	6.4
71.08634	65.7
71.32452	4.4
79.05509	11.3
81.07057	100.0
82.07384	6.1
83.08615	53.3
85.06541	3.3
85.10183	31.6
91.05479	4.0
93.07027	8.7
95.08607	98.4
97.10168	54.1
99.11729	5.4
105.06997	2.7
107.08561	3.1
109.10160	57.1
111.11726	38.3
123.11705	30.7
125.13261	18.7
133.10100	3.2
137.13255	14.4
139.14813	7.9
141.16411	3.3
151.14812	8.2
153.16296	2.5
154.06587	2.0
154.07881	2.2
165.16388	11.1
167.17953	2.4
179.17882	3.1
184.05400	2.9
221.22585	3.4
301.20074	3.3
313.27356	6.1
314.27725	3.9
481.38721	4.4
482.39157	28.7
540.43219	15.4
557.60046	17.2
575.41571	2.7
575.61371	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	576.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
55.05508	8.6
57.03429	14.8
57.07079	34.6
67.05503	25.3
69.07062	16.2
71.08630	19.2
71.26910	10.2
79.05476	9.0
81.03421	58.7
81.07032	24.8
83.04957	4.7
83.08611	20.5
85.10169	19.6
91.05486	15.0
93.07036	11.6
95.04968	16.1
95.08602	31.8
105.07030	11.5
107.08593	8.7
109.10110	10.7
113.13338	5.0
119.08591	11.7
121.10139	9.4
127.00505	4.4
129.07030	5.5
131.08588	5.6
175.04005	5.2
175.11134	6.8
193.12305	22.2
228.68401	4.5
239.23714	7.0
267.15936	100.0
313.27347	93.2
446.67551	5.6
505.38849	71.6
539.13843	5.3
576.36517	14.3
577.25244	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	575.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.1
55.01862	8.5
55.05512	25.1
55.92273	3.3
57.03436	9.3
57.07079	10.3
59.04990	4.5
60.06642	3.2
60.97626	3.6
61.02917	5.2
67.05514	35.9
67.13502	3.3
69.03124	4.1
69.03438	35.3
69.07069	53.0
70.05707	7.8
70.06117	11.5
70.06593	10.8
71.04981	11.8
71.08627	6.8
72.08125	4.6
77.15342	4.1
79.05510	26.5
81.03419	37.9
81.06587	6.3
81.07061	99.0
83.04971	10.8
83.08635	28.2
84.08087	4.1
85.02908	49.2
85.06535	20.5
86.09711	5.8
87.00818	15.5
89.06029	5.4
91.05477	35.4
93.07046	45.0
93.60497	3.3
95.04945	15.2
95.08611	100.0
97.02906	25.2
97.06530	12.8
97.10152	16.5
99.04442	7.5
99.08039	6.9
105.01860	8.5
105.07017	34.3
107.04958	9.6
107.08583	41.3
109.02875	26.9
109.06499	5.2
109.10155	43.7
111.04382	5.4
111.08094	21.9
111.11705	14.7
117.07032	4.2
119.04936	12.4
119.08556	21.8
121.06481	5.8
121.10126	24.8
123.04436	5.6
123.11732	25.3
125.09648	6.7
127.03919	35.2
128.06247	5.0
129.05486	4.3
129.07069	5.4
131.04906	4.6
131.08557	11.7
133.06493	4.4
133.10130	15.7
135.08055	5.3
135.11673	19.2
137.05983	4.7
137.09634	4.6
137.13258	16.7
137.91824	3.5
141.47713	3.8
145.04964	8.0
145.10162	10.4
147.04417	10.7
147.08115	4.4
147.11676	12.6
149.13245	22.7
151.03967	4.6
151.11087	4.8
152.20992	3.6
155.08553	4.4
157.10168	8.6
159.02896	5.3
159.11703	11.6
161.09622	4.4
161.13194	12.8
163.14809	13.3
165.16434	6.1
171.11708	3.8
173.09561	9.1
173.13205	7.6
175.03903	21.6
175.11192	4.3
175.14818	7.5
177.12907	4.1
177.16438	6.8
183.11641	5.2
191.17924	5.7
203.56401	3.8
207.06575	36.9
213.12747	4.4
215.14377	4.6
217.19437	7.9
227.14345	4.9
231.05052	5.0
235.20377	4.1
245.15263	3.7
261.25690	5.6
273.25708	17.3
275.19998	4.3
279.26874	10.6
282.07599	8.4
291.26804	41.9
297.27740	7.2
309.21890	5.5
309.27811	37.8
327.22989	8.1
413.21967	7.4
501.20221	5.3
503.29623	5.0
575.19989	6.5
575.34473	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	575.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00001	1.0
50.82322	0.8
55.61422	0.8
60.58747	0.9
61.66467	0.7
71.52841	1.2
76.07371	0.9
83.04842	1.0
87.15612	0.8
99.88182	0.9
105.62613	0.9
107.53992	0.8
110.61996	0.8
134.88028	0.9
146.15773	1.0
149.35043	0.9
174.93474	0.8
184.28557	0.8
189.35765	0.9
198.02971	2.0
213.01457	1.1
227.03218	3.0
228.04068	3.0
241.04840	1.0
249.92749	0.9
279.73911	0.9
297.07318	15.3
353.13461	4.8
394.20255	0.9
474.92642	1.0
502.00009	0.9
575.33417	100.0
576.33563	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	574.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	18.7
65.38017	5.3
67.05495	12.0
68.53477	5.6
69.07050	11.9
69.28094	53.6
71.08631	10.1
79.05474	13.3
81.07048	17.3
85.01522	4.9
87.04456	33.4
91.05479	7.2
93.07037	22.5
95.08610	15.3
107.08595	11.3
109.10110	15.3
111.04428	7.9
119.08631	6.1
131.08626	6.3
131.28093	5.0
133.20486	6.2
135.11676	9.7
145.10083	8.0
163.11153	10.5
173.09624	10.6
191.10672	6.4
209.11772	9.7
255.15929	9.0
283.15421	100.0
301.16449	8.2
313.27335	34.9
337.94757	5.4
521.38214	20.6
539.39325	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	575.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01858	1.1
55.05256	0.8
55.05513	7.9
57.03432	0.8
59.03408	0.5
61.02905	1.0
65.03932	1.1
67.05506	2.7
67.50020	0.5
69.03433	2.8
69.07072	3.1
70.06582	3.0
71.52014	0.4
71.52422	0.9
72.08140	1.4
73.06536	0.7
74.06052	0.6
77.03950	0.7
79.05496	3.7
81.03419	7.1
81.07056	7.0
81.38557	0.5
83.04969	2.2
83.08588	0.8
84.08138	1.8
85.02908	3.5
85.06535	0.6
86.09705	1.5
87.00821	0.6
91.05479	16.0
93.07035	3.6
95.04956	1.8
95.08607	4.1
97.02871	1.3
97.06549	0.7
99.04433	0.7
99.08117	0.6
103.05444	1.1
105.03378	1.4
105.07028	15.4
107.04995	0.8
107.08578	4.6
109.02872	1.9
109.06522	2.3
109.10146	2.7
110.07138	0.6
111.08076	0.9
117.07027	2.1
119.04949	14.3
119.08579	25.0
120.08081	0.6
121.02827	0.8
121.06474	0.8
121.10121	2.4
123.08067	0.8
123.11707	1.8
127.03896	1.5
129.07008	0.8
131.08565	1.5
132.09351	1.6
133.06526	4.4
133.10114	3.7
135.04425	2.3
135.11671	0.9
137.05893	1.0
143.08635	0.9
145.06575	0.8
145.10107	6.6
147.04405	14.6
147.11685	100.0
148.12048	0.8
149.02347	7.3
149.09612	0.9
149.13187	0.6
156.09354	2.1
157.03922	1.3
159.07968	0.8
161.09573	0.8
161.13300	3.2
167.07034	1.1
171.11664	1.4
173.09654	0.7
174.10352	0.7
175.03908	24.7
175.07463	0.9
178.04871	0.7
179.07007	1.3
189.12744	15.3
203.07059	1.1
205.08694	0.7
206.04483	0.7
207.06526	53.9
207.13803	3.2
208.06818	1.0
218.68417	0.6
219.06633	0.8
271.05957	0.9
275.12747	1.2
291.26917	1.0
293.13901	3.2
297.07474	0.7
298.07889	0.8
308.22232	0.6
309.07501	1.8
309.10825	0.6
310.07864	2.9
321.07394	1.1
322.07935	2.4
323.09128	1.0
324.09424	1.3
333.07431	0.8
334.07877	0.9
335.09210	0.8
336.09491	1.3
340.08942	1.1
345.13400	0.9
350.11090	0.9
351.10934	1.8
363.14172	2.0
364.08850	1.0
364.13040	0.8
366.10751	1.0
369.11691	0.8
370.13913	0.8
375.13950	0.8
376.12625	2.2
393.15060	1.1
395.18365	1.5
413.12042	0.7
418.13474	1.9
435.16391	1.4
455.15265	1.8
459.16147	1.2
460.15097	0.8
477.17389	2.1
495.18124	2.9
496.16727	1.2
513.19525	9.2
557.18408	5.7
575.18988	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	574.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10736	0.4
55.01875	0.7
55.05497	0.9
56.85784	0.4
60.00018	0.4
67.05505	0.6
69.07058	0.9
69.72710	2.6
70.06594	2.6
73.02917	0.4
79.05466	0.7
81.07008	0.7
82.06558	1.0
84.08154	0.5
85.02904	0.8
85.06554	0.5
86.09709	4.8
91.05483	0.8
91.81397	0.4
94.89016	0.5
95.08574	0.4
97.02885	0.5
98.06038	1.3
98.20760	0.7
105.07014	0.5
127.03946	0.5
128.07059	2.4
129.06952	0.5
135.04364	0.7
142.08693	0.4
143.08575	1.1
145.02881	0.8
145.10106	0.5
146.47369	0.4
147.04422	0.9
147.08014	0.5
149.05910	0.5
157.10109	1.6
161.09584	0.5
171.04428	1.3
171.08038	1.5
172.08838	0.8
173.09590	1.1
177.05429	2.3
178.05052	0.5
184.08743	0.6
185.09595	4.5
186.89049	0.4
189.09116	3.6
195.08112	0.6
199.11136	1.0
199.18002	0.4
201.09120	4.7
206.04523	0.8
207.06526	1.0
207.10225	0.5
209.09384	0.6
212.08290	1.3
213.09097	21.9
213.12674	1.7
214.06181	0.5
225.08969	0.8
227.10698	5.2
227.14275	8.1
229.08617	0.6
229.12126	0.6
231.10173	1.5
237.12746	4.3
240.11426	3.0
243.10196	0.7
243.13441	1.5
245.11726	1.8
249.11156	1.2
251.14278	1.2
255.10307	3.3
255.13789	58.1
256.14120	1.3
258.63766	0.5
269.15363	3.8
273.11465	0.8
273.14816	5.0
279.13614	0.5
287.05429	0.9
297.14798	6.3
315.15887	100.0
316.16235	2.3
333.16916	5.2
356.21890	0.5
412.22696	0.6
574.37000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01862	2.6
55.05503	2.6
57.03431	1.7
67.05499	5.8
69.03427	8.4
69.07067	7.8
70.06587	7.8
71.04997	3.8
72.08158	1.8
72.93205	1.2
77.03944	1.4
79.05482	3.8
81.03421	7.8
81.07059	11.6
84.08147	3.1
85.02902	11.9
85.06528	2.1
86.06080	1.8
86.09705	2.5
87.00839	4.8
88.04001	1.7
91.05481	5.4
93.07041	5.7
93.58685	1.3
95.04957	4.7
95.08604	8.1
97.02910	7.7
97.06501	1.8
99.04446	2.1
99.08167	1.5
105.01855	3.2
105.03386	2.4
105.07024	4.0
107.04956	5.2
107.08568	6.1
109.02856	6.1
109.06522	3.3
109.10144	10.4
110.28863	1.2
111.08070	2.0
111.11663	2.6
112.08491	1.5
116.07110	2.3
117.07053	1.3
119.04941	2.3
119.08576	4.2
120.08119	1.8
121.02817	1.7
121.06506	2.7
121.10142	4.7
123.11687	10.2
124.12063	1.3
127.03941	7.7
128.07097	2.2
131.08549	2.8
133.02859	18.9
133.06491	2.8
133.10149	4.0
135.04401	18.7
135.11676	2.6
139.11209	1.9
143.08565	1.5
145.04993	3.6
145.06505	1.9
145.10127	1.7
147.04425	5.7
147.08075	2.4
147.11681	2.9
149.06006	4.1
151.03894	19.7
151.11208	2.0
159.02879	3.7
159.08073	4.8
161.09627	4.2
162.09344	1.4
163.07539	1.6
165.05460	2.3
167.07141	1.5
171.07977	2.0
173.09612	1.8
175.03943	4.1
175.07571	3.2
177.05463	3.9
177.09116	11.5
178.04984	3.0
179.06856	1.7
185.09612	3.7
186.09131	1.9
187.07635	1.9
189.05492	5.7
189.09077	1.4
203.10686	7.0
206.04507	3.5
207.06485	8.6
212.16582	3.0
213.09079	2.0
215.14038	1.4
227.14267	2.5
229.72061	1.8
248.85204	1.3
255.13811	9.1
273.14853	100.0
274.15167	3.5
291.15903	67.2
292.16281	1.9
298.20215	1.5
307.26425	1.9
308.26694	3.7
314.42535	1.5
322.33929	1.3
323.09286	1.8
326.08694	1.8
336.13150	1.6
361.14764	4.4
389.14209	2.5
417.00406	1.5
417.12872	2.6
424.13943	5.0
454.14816	2.1
478.15094	6.0
485.16846	2.2
508.16119	1.7
520.16040	2.9
528.20587	6.8
530.13654	2.8
531.14160	1.8
538.17267	7.5
556.18262	4.5
574.12323	4.1
574.20673	25.2
575.21576	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53480	1.1
53.03944	1.8
55.01867	1.8
55.05502	3.7
56.05022	3.9
57.03431	3.0
60.04527	2.4
61.02939	2.1
62.82990	1.2
64.66108	1.2
65.03934	1.9
65.14750	1.4
67.05499	6.4
68.05016	2.0
69.03417	4.9
69.07051	4.7
70.06590	17.6
71.12353	2.9
72.08137	2.4
79.05498	4.2
81.03421	7.4
81.07069	8.8
82.06581	4.8
83.05022	1.8
84.04494	1.5
84.08131	13.8
85.02902	8.2
85.06547	2.1
86.06062	3.0
86.09692	3.5
91.05476	5.9
93.07055	3.8
95.04962	6.0
95.08600	4.0
97.02884	5.2
97.06519	2.1
99.04456	3.1
105.03413	3.5
105.07026	4.4
107.04982	3.3
107.08578	4.7
109.02877	6.1
109.06506	2.4
109.10164	2.7
111.08139	1.8
112.07615	1.9
116.07127	1.6
116.10736	2.2
119.04939	3.8
119.08588	5.2
121.02890	2.0
121.10149	3.3
123.08041	1.9
123.11711	3.2
125.09701	1.2
127.03939	3.9
131.08549	2.2
133.06493	12.3
133.10123	2.6
135.04424	33.7
135.08083	1.6
136.58446	1.4
145.06479	2.5
145.10149	2.6
147.04422	4.5
147.11685	10.4
151.03902	2.1
159.04425	5.1
159.08014	1.5
159.11697	1.7
160.07547	1.5
162.05522	6.1
162.09219	1.6
173.09576	1.6
175.03906	5.1
177.01869	2.5
177.05507	3.9
178.04984	3.1
179.03377	3.8
187.03885	2.0
189.01836	9.5
189.12807	1.9
191.03412	2.1
195.02934	4.1
203.03401	9.7
203.07062	1.8
206.04538	4.3
207.02835	7.7
207.06470	11.2
209.04480	1.8
212.16521	2.5
215.03360	1.7
217.04997	4.5
219.02774	1.6
221.04486	2.7
222.11249	1.7
229.04822	1.7
230.08195	6.1
231.06657	1.9
233.04472	2.8
255.02888	1.7
281.08017	2.8
282.08960	2.8
287.05637	3.1
293.08023	3.8
295.09650	3.7
297.07620	12.9
306.08783	2.0
307.09665	4.9
308.06836	3.2
309.07568	55.7
310.08316	4.3
311.09027	7.7
312.10004	1.8
319.09512	2.5
320.09628	2.5
321.07578	48.7
321.11194	3.4
322.08267	4.5
323.09134	21.0
324.09671	1.9
327.08481	2.6
331.09473	2.1
332.13092	2.6
333.07629	6.3
333.11218	2.7
334.08276	6.2
335.09122	28.3
335.12772	4.1
336.09949	4.2
337.10800	4.5
339.08612	25.6
339.12692	1.8
344.12897	11.1
345.13733	5.4
346.14731	2.3
347.09045	11.8
347.12466	2.0
349.10583	13.2
350.14157	2.4
351.08832	6.6
351.12375	6.1
353.10251	4.7
357.11331	3.4
361.10800	5.4
362.13916	32.3
363.08444	14.2
363.12518	10.5
365.10165	7.7
368.14999	7.8
369.13693	7.1
374.13934	16.4
375.12363	44.6
377.10156	6.2
380.15015	8.9
382.14505	2.2
386.13818	2.8
387.08450	3.4
389.10019	3.6
389.14395	2.3
390.13287	2.5
391.11829	4.1
392.14871	19.0
393.13589	11.4
398.13968	2.8
402.17285	2.0
405.09314	7.8
405.14276	2.3
410.15958	9.0
416.14844	5.9
417.13333	22.8
422.15765	2.4
423.10239	2.9
428.15161	3.1
431.10840	2.8
434.16034	21.7
440.15237	4.2
441.13086	3.3
446.16251	2.6
447.14209	3.4
454.14978	23.3
455.13797	2.7
458.16016	13.4
459.14252	8.5
464.17123	3.4
476.16986	27.7
477.15491	11.3
478.15280	3.3
484.15866	2.0
494.18085	32.0
495.16672	10.7
508.16068	3.0
512.19147	100.0
513.19092	4.9
520.15820	1.8
530.20227	4.5
538.16998	7.6
556.18127	76.5
574.19226	53.7
574.27484	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
59.84325	0.4
65.03937	0.7
67.04286	0.4
69.03444	1.5
69.78671	2.6
75.54359	0.5
77.03934	0.9
81.03424	4.1
83.17512	0.5
85.02918	0.7
89.03938	0.9
91.05481	16.8
96.99538	0.4
109.02862	1.0
112.90898	0.5
119.04943	26.0
120.05273	0.7
127.03872	0.5
132.02092	1.2
132.04445	8.4
147.04410	22.7
148.04744	0.6
149.02269	1.0
157.03961	2.0
164.04736	0.6
175.03909	40.7
178.04997	69.4
179.05513	0.5
179.07028	1.8
192.04222	1.0
206.04488	94.9
207.06529	100.0
208.06973	1.2
225.07651	0.5
267.79166	0.6
322.64014	0.5
351.10730	6.9
368.09811	1.2
369.11929	4.9
447.76266	0.6
574.15265	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.5
55.05499	16.9
57.07072	23.8
59.04974	6.6
67.05496	31.5
69.03413	23.2
69.07066	29.6
70.33752	5.5
70.34110	16.7
71.04991	10.4
79.05473	20.2
81.07061	51.1
82.51697	4.9
83.04999	7.5
83.08611	5.9
85.06524	12.5
91.05493	42.6
93.07053	62.9
95.04958	11.0
95.08054	8.9
95.08604	85.0
97.06544	11.0
98.98448	5.8
105.07043	67.6
107.08599	89.9
109.06512	15.6
109.10180	51.0
117.07011	11.6
119.08581	93.4
121.06570	6.4
121.10150	93.4
121.18407	4.9
123.08060	15.8
123.11727	26.3
125.99198	4.8
129.07031	8.7
131.08591	38.9
133.10143	69.4
135.08041	15.7
135.11710	45.9
137.13277	6.7
141.06970	5.8
141.09181	5.4
142.07797	8.1
143.08559	36.2
145.10126	69.0
147.07944	5.0
147.11679	40.5
149.09627	6.3
149.13249	19.4
150.57253	4.7
155.08562	10.7
157.10165	46.0
159.11708	51.1
161.09615	18.3
161.13257	29.5
163.11183	9.3
163.14807	10.0
167.08478	5.6
169.10107	23.4
171.11667	37.9
173.02347	7.4
173.09612	12.5
173.13293	29.4
175.11238	11.1
175.14807	25.9
177.12749	12.6
177.16377	8.6
181.10136	9.1
182.10841	6.1
183.11708	18.3
185.13277	28.7
187.14821	20.7
189.12677	8.1
189.16449	18.9
193.10083	5.0
195.11670	7.6
197.13213	25.6
199.11215	7.6
199.14854	30.5
200.15649	20.6
201.16441	34.2
203.03345	19.0
203.14214	12.5
203.17979	9.8
205.15968	15.1
209.13191	12.7
211.14813	19.0
213.16315	13.2
215.17912	31.4
217.15878	14.2
219.13614	5.2
223.14835	9.1
225.12712	7.1
225.16304	14.4
227.14349	15.0
227.17850	11.2
229.19411	11.7
237.16508	9.7
239.17955	11.7
241.15845	7.0
241.19629	8.4
245.15280	7.2
251.17819	6.1
253.19548	6.2
255.17537	5.5
255.21111	8.7
267.21085	5.9
269.22711	7.1
277.19342	5.6
293.22476	12.6
295.21106	5.3
295.24194	28.8
311.23532	8.8
313.25293	18.2
319.24176	12.7
321.25833	12.4
335.27399	8.4
335.95056	6.7
345.25870	8.2
353.28604	7.1
363.26794	96.7
381.27866	100.0
395.29376	14.2
413.30185	11.2
415.32202	16.6
417.31366	7.4
435.32489	39.2
453.33694	35.4
465.33533	48.5
470.36450	5.5
471.34549	16.8
483.34888	60.7
515.37073	8.1
537.39349	18.5
555.40625	35.2
573.41571	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.1
53.24794	2.6
55.01866	3.6
55.05507	13.2
57.07079	19.1
59.04983	5.4
67.05503	22.0
69.03436	17.3
69.07068	16.6
69.45536	3.1
71.04982	5.1
71.08620	2.6
74.76797	2.8
75.69395	2.9
77.03920	3.0
79.05478	23.3
81.03440	3.9
81.07062	41.1
83.04981	7.9
83.08594	6.6
83.37920	3.1
85.06540	6.6
91.05476	31.5
93.07041	48.6
95.04969	12.4
95.08604	53.3
95.72259	2.9
97.06539	8.1
105.07040	48.0
107.08596	62.7
109.06521	9.8
109.10158	37.3
117.06985	18.2
119.07808	5.6
119.08585	66.9
121.06525	7.7
121.10147	82.8
123.08062	12.5
123.11703	23.5
128.06194	7.3
129.07001	10.9
131.08574	32.7
133.06503	4.5
133.10129	55.3
135.08051	13.0
135.11684	40.5
137.09593	5.3
137.13264	11.8
141.07059	3.7
142.07788	3.8
143.08553	23.9
144.09344	5.2
145.10123	52.4
147.08040	11.1
147.11696	30.6
149.09595	7.3
149.13304	15.8
151.11179	7.5
155.08540	10.9
156.09341	3.5
157.10110	32.1
159.08031	6.3
159.11676	45.9
161.09630	11.1
161.13264	20.3
163.11176	9.9
163.14825	8.6
169.10136	17.9
170.10970	3.5
171.11681	22.4
173.09645	11.0
173.13240	30.9
175.11194	13.5
175.14835	17.7
177.12744	9.8
177.16331	5.2
177.70447	3.6
179.14284	4.3
181.10114	9.1
182.10770	3.5
183.11749	17.1
184.12498	4.0
185.13269	23.1
187.11238	7.9
187.14841	19.8
189.12746	3.6
189.16325	17.9
191.10710	3.5
193.10173	4.0
195.11679	13.5
197.13252	19.7
199.14865	26.2
200.15625	18.3
201.12766	6.5
201.16411	31.9
203.14384	7.2
203.18008	6.7
205.15868	9.2
209.13234	12.9
211.14815	11.1
213.12784	5.1
213.16292	7.0
215.14423	4.0
215.17999	24.1
217.15817	8.6
219.13922	3.7
221.13173	4.0
223.14888	7.3
225.12807	3.6
225.16380	10.2
227.14363	15.2
227.17969	9.7
229.15944	5.6
229.19551	6.8
231.17325	4.6
235.14824	6.1
237.16350	5.6
239.17921	7.1
241.15857	5.4
241.19650	5.6
243.21045	5.3
245.15425	12.0
249.16238	3.8
251.18027	9.5
253.15868	3.6
253.19519	6.0
255.17461	5.3
255.21063	5.4
263.18097	4.5
263.84323	3.1
267.17413	10.7
268.21805	4.7
269.22684	5.1
279.17410	3.6
279.20886	5.2
293.22528	8.6
295.24197	19.0
299.20438	3.3
305.22488	5.1
311.20276	4.3
311.23752	9.7
313.25284	16.0
319.24185	8.4
321.25735	6.0
323.23883	5.5
333.25742	6.8
335.27341	4.0
337.25107	4.7
345.25998	6.0
353.28476	5.3
363.26834	100.0
377.28558	8.4
381.27872	87.3
382.28064	4.0
395.29395	16.6
397.30878	7.6
413.30499	7.7
415.32080	19.6
417.31348	9.9
435.32642	31.2
453.33609	31.6
465.33704	48.9
471.34598	12.1
483.34641	57.7
515.36951	8.9
537.38989	16.5
555.40442	25.3
573.41479	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22602	3.3
52.86325	4.3
53.03945	15.4
55.01872	9.6
55.05511	24.2
57.07066	9.8
58.99570	4.4
65.03947	4.0
65.55822	3.7
67.05508	35.1
68.50338	3.8
69.03432	42.2
69.06721	7.2
69.07069	66.9
69.88732	21.2
69.96622	4.0
70.06590	24.0
71.04981	16.2
72.08147	9.0
73.02906	6.6
79.05503	31.8
81.03413	37.1
81.07052	100.0
83.04996	17.2
83.08610	19.8
83.34595	4.0
85.02902	63.7
85.06536	16.8
86.09692	5.4
86.99086	4.6
87.00838	21.4
90.59834	3.7
91.05502	31.6
91.05991	5.6
93.07041	59.2
95.04967	22.0
95.08609	79.1
97.02882	26.4
97.06535	16.2
97.10210	8.6
98.00606	4.3
99.04467	13.9
99.08052	4.5
103.03938	5.1
105.01874	14.3
105.03376	11.0
105.07032	57.7
107.04963	27.6
107.08588	53.6
108.05307	4.2
109.02875	31.6
109.06525	16.0
109.10150	48.0
111.08070	15.3
111.11716	11.3
112.07616	12.4
113.06078	5.4
113.07944	5.0
115.03944	5.7
117.07009	7.6
119.04958	12.3
119.08583	29.3
121.02827	5.6
121.06518	5.0
121.10158	45.9
123.08083	8.2
123.11697	76.3
125.09593	4.2
127.03927	51.0
128.19016	3.5
129.07034	5.1
131.08553	9.7
133.10150	19.4
135.08041	6.4
135.11655	23.9
137.05960	5.1
137.09633	7.1
137.13277	12.6
139.11200	15.1
140.07072	5.6
143.08604	6.6
144.49680	4.1
145.04974	11.3
145.10115	14.6
147.04439	8.1
147.11650	29.1
149.13225	21.2
151.11166	19.6
153.12782	12.6
157.10178	7.5
159.02914	11.3
159.11674	7.7
161.05977	5.0
161.13287	10.3
163.11249	5.2
163.14909	8.3
165.12762	29.8
166.03340	4.2
169.12216	26.3
173.13278	7.2
175.03911	11.9
175.14819	9.6
177.16412	6.8
179.14302	5.9
183.13898	5.4
189.16257	5.9
192.04881	8.0
193.15715	4.3
197.60381	4.9
201.12767	4.6
201.16402	7.7
203.23505	4.5
206.04646	5.8
207.06564	23.6
209.18916	9.2
226.66656	4.0
231.04906	5.6
233.19054	5.5
238.05313	13.3
239.05721	9.6
243.98836	3.8
245.22699	4.9
271.06000	10.9
271.24304	18.6
271.27011	3.7
272.06320	11.9
277.25214	7.5
287.05548	5.9
289.25266	53.6
307.26257	41.5
311.21365	4.0
325.27255	7.1
332.91837	4.5
358.85922	3.9
411.14471	4.9
501.27747	5.2
555.31549	4.0
563.70966	4.5
573.22144	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	573.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.9
55.01863	16.4
55.05511	26.3
57.03423	8.8
57.07060	9.2
58.99587	7.9
59.04985	4.4
59.07923	4.0
61.02911	8.9
65.03947	6.1
65.26329	4.9
67.05508	37.4
68.99800	8.5
69.03433	57.8
69.06730	6.3
69.07069	83.3
70.06594	51.0
71.04989	18.3
71.52053	5.5
72.08137	5.3
73.02899	7.3
79.05486	34.0
81.03423	63.1
81.07059	100.0
83.04963	15.4
83.08601	11.7
84.08107	5.7
85.02910	74.4
85.06537	19.8
86.06056	6.1
86.09724	7.6
87.00831	25.4
91.05466	43.7
93.07044	60.7
95.04979	21.8
95.08605	78.6
97.02882	33.3
97.06534	19.4
97.10171	9.0
97.68488	4.7
98.06071	4.7
99.04454	25.6
99.08107	10.7
103.05475	5.9
104.03509	7.0
104.20811	4.7
105.01861	13.3
105.03398	84.3
105.07045	40.4
106.03728	18.1
106.06528	8.1
107.04965	40.8
107.08599	47.4
109.02885	49.8
109.06532	14.1
109.10151	54.3
110.03200	4.8
111.08063	17.6
111.11723	13.6
116.07094	41.5
117.01875	7.0
117.07013	9.8
119.04945	15.6
119.08590	30.3
120.08115	6.3
121.02855	9.6
121.06496	8.5
121.10159	54.6
123.04393	7.0
123.08092	9.8
123.11720	60.3
124.03971	8.8
125.05987	7.9
125.09666	10.7
127.03922	59.1
127.11166	8.2
128.04250	6.0
129.07080	5.0
131.04916	7.5
131.08545	9.1
133.02838	20.9
133.06534	8.2
133.10143	22.4
134.05952	6.7
135.04413	19.4
135.08073	7.4
135.11679	30.1
137.05981	6.4
137.09644	6.5
137.13254	11.3
139.11174	27.3
143.08571	9.8
145.04964	28.5
145.06531	5.3
145.10143	18.2
147.04393	18.3
147.08034	12.5
147.11668	25.3
149.05959	5.7
149.13255	20.8
151.03914	14.0
151.11209	22.3
153.12718	13.1
155.08549	7.2
157.10083	5.0
159.02849	11.0
159.08084	9.6
159.11691	13.9
161.09627	9.9
161.13240	12.6
162.05518	6.9
163.05878	4.3
163.11159	10.3
163.14848	10.2
164.07072	4.7
165.12755	18.9
167.03491	5.5
167.07051	5.5
167.08488	4.5
169.12262	8.5
171.08057	6.1
173.09612	10.2
173.13225	8.9
175.03912	22.6
175.11133	6.3
175.14865	11.2
177.05440	8.1
177.09105	13.6
178.04962	33.6
178.07642	5.1
183.11595	5.1
185.09648	7.0
186.09203	5.7
187.07603	7.6
187.11151	7.4
187.14757	5.0
189.16414	6.8
192.04811	7.7
193.05060	7.9
201.09178	8.4
203.10660	7.4
203.17981	9.0
205.08527	7.8
206.04654	6.4
207.06541	42.6
208.06931	9.5
212.11874	5.9
213.12631	6.9
215.17964	6.6
231.05074	12.1
231.15685	4.8
234.07678	4.5
238.05386	21.5
239.05724	23.8
240.10223	14.7
241.10460	10.4
249.60196	4.8
255.13663	11.9
271.13303	31.1
271.24234	11.8
272.13654	17.1
273.14835	59.0
277.25272	6.6
287.05566	11.1
289.14310	30.4
289.25232	37.4
290.14581	16.2
291.15887	19.6
306.11652	6.2
307.11774	14.3
307.15292	10.4
307.22870	8.4
307.26303	45.3
308.15588	13.6
325.23917	5.1
325.27286	13.2
387.17337	5.2
417.18829	8.6
435.20258	7.3
492.69345	5.0
573.33105	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	573.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40299	13.4
53.03942	18.0
55.01863	22.9
55.05489	38.2
56.25970	13.6
57.07072	26.6
67.05512	81.5
69.03427	29.3
69.07056	47.9
69.18594	95.4
69.19017	57.9
70.06592	18.1
70.26086	11.1
71.04977	16.6
71.71216	12.3
74.21223	12.9
75.04345	11.1
79.05490	68.6
81.03416	42.8
81.07065	100.0
83.08632	32.1
85.02905	60.8
85.06533	21.1
87.00833	18.1
91.05489	73.5
93.07039	55.0
95.04964	51.5
95.08604	69.2
97.02904	33.9
97.06535	16.1
97.10142	35.4
99.04430	20.1
105.01872	15.7
105.07022	59.7
107.04928	25.6
107.08572	86.8
109.02893	30.2
109.06500	25.4
109.10165	65.3
111.04448	16.7
117.07059	23.6
119.08574	62.1
121.06458	21.0
121.10120	24.8
123.08092	16.3
123.11720	40.5
125.09617	16.7
127.03905	33.2
129.06955	17.3
131.08559	39.3
133.06494	29.3
133.10135	40.4
135.08041	21.4
135.11722	21.2
142.07713	12.9
143.08539	43.1
145.06563	19.6
145.10121	47.7
147.08038	20.2
147.11674	21.6
149.05986	22.6
149.09557	14.8
155.08522	19.2
156.08064	18.7
156.09306	15.8
157.06477	15.9
157.10118	44.2
159.08102	26.7
159.11696	36.1
161.06010	18.7
169.10094	39.6
171.11685	15.8
173.09621	34.3
179.08572	21.8
181.10124	33.0
183.07928	18.3
183.11688	36.0
185.09674	19.4
185.13297	17.6
195.11754	26.5
197.13297	24.7
199.11314	16.5
207.11665	22.8
209.09692	23.6
209.13423	13.7
211.11256	16.2
215.08586	14.2
219.11589	19.0
221.13297	17.9
223.11101	21.4
233.13284	18.8
243.11653	15.1
250.13312	14.5
277.12195	17.6
289.25339	33.1
294.07748	15.1
308.19061	14.2
453.19467	17.8
537.30219	21.4
555.33588	33.4
573.34241	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	16.5
55.05509	52.3
57.03426	16.3
57.07076	35.9
67.05509	100.0
68.02265	6.7
69.03433	20.2
69.07069	40.1
71.05015	11.4
71.24043	6.8
71.51614	13.2
79.05495	80.8
81.03413	48.5
81.07054	98.5
83.04986	25.8
83.08624	30.8
85.02915	18.6
85.06535	16.6
91.05483	90.5
93.03340	8.0
93.07046	83.7
95.01349	19.2
95.04977	49.7
95.08612	55.4
97.06526	13.5
97.10174	28.1
103.05473	9.1
105.03425	7.0
105.07032	95.6
106.28397	7.6
107.04964	24.8
107.08592	65.2
109.02895	10.7
109.06544	23.1
109.10174	32.5
111.04426	11.3
111.08144	11.3
113.06029	12.5
115.05508	13.1
117.07036	33.6
119.04960	6.9
119.08587	64.1
121.06551	20.0
121.10167	38.0
123.04346	7.9
123.08110	18.7
123.11694	8.3
125.09665	18.4
127.03867	7.8
128.06230	18.1
129.07019	39.6
131.08591	47.1
133.06508	27.3
133.10109	39.9
135.08076	14.6
135.11650	13.4
137.05905	8.5
137.09628	9.5
141.06966	14.0
142.07820	15.1
143.08566	47.8
145.06512	14.0
145.10135	46.6
147.08029	17.2
147.11717	29.7
149.09653	17.4
153.07008	8.5
154.07808	8.0
155.08553	23.3
157.10135	43.3
159.08063	25.4
159.11697	29.0
161.06012	45.2
161.09651	26.3
161.13264	12.9
163.11177	17.7
165.06982	16.8
167.08592	13.6
168.09395	9.1
169.10118	40.4
171.08128	19.0
171.11731	26.2
173.09654	30.5
175.11177	21.7
179.08525	14.6
180.09334	9.1
181.10144	19.9
183.11711	27.1
185.09596	21.6
185.13272	15.4
187.11215	14.9
189.09169	10.2
193.10165	19.9
194.09637	20.3
195.11691	22.5
196.11121	12.0
197.09586	17.5
197.11363	8.8
197.13297	16.5
199.11172	9.8
201.09154	7.5
203.08575	7.5
205.05014	9.3
205.10098	7.4
206.10873	11.0
207.11710	31.3
209.09744	12.7
209.11555	12.8
209.13303	20.4
211.11218	18.7
217.10159	16.1
218.11021	10.5
219.11816	14.0
221.13242	14.8
227.10793	7.7
229.10141	8.2
229.74666	7.6
231.11737	8.7
233.13283	14.4
235.11136	9.5
237.12737	7.8
241.16187	8.8
243.13893	10.9
244.05946	41.2
245.13409	10.2
246.10315	10.0
251.10704	8.8
257.19046	8.9
259.14786	7.9
261.12747	13.2
271.16983	11.0
272.05533	52.1
273.06223	39.1
273.15808	7.8
273.18622	18.0
274.07050	16.6
275.20120	28.0
277.12228	11.9
281.17767	12.6
289.18079	18.6
291.19678	20.1
303.13837	12.3
309.18558	10.4
311.20169	14.1
319.16953	16.0
333.14984	13.3
337.18082	33.0
347.16437	13.1
349.23782	10.9
365.17535	12.8
375.16202	10.1
383.18488	23.8
411.18109	22.8
441.19058	8.2
467.15933	22.4
471.20059	8.8
537.31226	8.0
555.33209	34.1
573.22137	8.5
573.25604	8.0
573.33997	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.2
53.03947	5.4
55.01866	7.4
55.05496	10.2
57.03429	2.7
57.07069	8.1
59.05006	2.3
67.05499	16.8
69.03421	7.4
69.07056	8.4
69.39442	5.2
69.39856	13.4
70.06592	4.3
79.05491	19.5
81.03409	9.7
81.07057	13.4
83.04960	7.5
83.08599	3.8
85.02914	5.1
85.06546	4.5
91.05470	21.5
93.07046	15.3
95.01311	9.8
95.04969	12.4
95.08630	13.5
97.02929	3.0
97.10165	4.1
100.87417	2.5
105.03397	14.8
105.07036	19.3
107.05000	3.5
107.08591	18.5
109.02916	3.2
109.06526	6.6
109.10143	6.7
111.04443	2.4
111.08110	3.1
115.05538	2.9
116.08213	2.4
117.07015	7.3
119.08588	19.5
121.06495	7.4
121.10144	9.9
123.08040	5.5
123.11677	3.2
125.05994	3.0
125.09618	2.9
128.06200	5.4
129.07028	11.0
131.08582	14.0
133.06494	3.2
133.10129	9.3
135.08072	2.9
137.05968	3.5
141.07011	6.0
142.07758	9.0
143.08598	16.8
144.09363	3.4
145.06465	5.7
145.10138	14.0
147.08067	6.2
147.11699	3.5
149.05876	2.6
149.09543	4.5
153.06963	3.3
154.07755	4.1
155.08585	9.4
156.09320	3.9
157.06430	2.8
157.10126	16.3
159.08080	7.2
159.11774	12.3
161.06001	4.2
161.09587	3.1
161.10750	2.7
162.09154	13.0
163.11165	2.9
165.07025	4.2
166.07802	3.6
167.08548	6.8
168.09367	5.1
169.10147	14.7
170.10912	3.8
171.08031	7.7
171.11688	11.6
173.09563	5.4
173.13326	5.2
178.07840	2.7
179.08546	6.6
181.10066	12.1
182.11011	3.1
183.07991	4.9
183.11681	13.7
185.07976	2.3
185.09604	4.7
185.13271	3.7
187.11081	3.5
192.09276	2.7
193.10156	8.9
195.11720	10.2
197.09602	5.1
197.13240	8.5
199.11111	2.8
199.14862	3.0
201.12767	3.6
203.08612	2.6
205.10141	4.0
206.10893	3.6
207.11699	6.3
209.09683	7.2
209.13339	7.2
211.11150	8.6
211.14835	4.8
215.14267	3.3
216.09435	2.5
217.10258	3.4
218.10992	3.8
219.11711	3.2
220.12418	2.7
221.09727	3.3
221.13226	5.6
223.11220	5.4
223.14778	3.7
225.12733	6.1
225.16464	3.2
227.14445	3.0
231.11699	2.5
233.09657	4.0
233.13292	5.0
234.10452	4.2
235.11191	4.4
235.14764	3.8
237.12819	4.9
239.10594	3.2
244.06088	6.0
249.12726	2.8
253.12276	2.9
256.05914	2.9
258.07526	3.3
263.10709	3.1
263.14529	2.4
265.12341	2.4
266.08099	6.4
273.06537	3.0
277.15891	4.7
284.05692	2.5
285.06369	6.7
285.14880	2.7
286.07074	13.4
287.07645	3.5
291.13867	3.2
296.09351	2.5
303.17484	2.6
336.20627	5.5
337.18018	4.1
383.18604	7.0
411.18045	6.8
429.06992	3.8
450.07269	2.7
458.24268	7.6
463.28555	3.4
485.06165	9.8
487.11258	2.9
499.07803	3.3
513.05670	4.0
513.17700	2.8
515.11011	11.6
525.09131	4.0
528.08209	4.8
529.31824	5.0
537.31873	3.6
543.10376	25.2
558.12878	13.0
573.14978	100.0
573.34033	8.0
574.15204	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	573.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	16.5
55.05509	52.3
57.03426	16.3
57.07076	35.9
67.05509	100.0
68.02265	6.7
69.03433	20.2
69.07069	40.1
71.05015	11.4
71.24043	6.8
71.51614	13.2
79.05495	80.8
81.03413	48.5
81.07054	98.5
83.04986	25.8
83.08624	30.8
85.02915	18.6
85.06535	16.6
91.05483	90.5
93.03340	8.0
93.07046	83.7
95.01349	19.2
95.04977	49.7
95.08612	55.4
97.06526	13.5
97.10174	28.1
103.05473	9.1
105.03425	7.0
105.07032	95.6
106.28397	7.6
107.04964	24.8
107.08592	65.2
109.02895	10.7
109.06544	23.1
109.10174	32.5
111.04426	11.3
111.08144	11.3
113.06029	12.5
115.05508	13.1
117.07036	33.6
119.04960	6.9
119.08587	64.1
121.06551	20.0
121.10167	38.0
123.04346	7.9
123.08110	18.7
123.11694	8.3
125.09665	18.4
127.03867	7.8
128.06230	18.1
129.07019	39.6
131.08591	47.1
133.06508	27.3
133.10109	39.9
135.08076	14.6
135.11650	13.4
137.05905	8.5
137.09628	9.5
141.06966	14.0
142.07820	15.1
143.08566	47.8
145.06512	14.0
145.10135	46.6
147.08029	17.2
147.11717	29.7
149.09653	17.4
153.07008	8.5
154.07808	8.0
155.08553	23.3
157.10135	43.3
159.08063	25.4
159.11697	29.0
161.06012	45.2
161.09651	26.3
161.13264	12.9
163.11177	17.7
165.06982	16.8
167.08592	13.6
168.09395	9.1
169.10118	40.4
171.08128	19.0
171.11731	26.2
173.09654	30.5
175.11177	21.7
179.08525	14.6
180.09334	9.1
181.10144	19.9
183.11711	27.1
185.09596	21.6
185.13272	15.4
187.11215	14.9
189.09169	10.2
193.10165	19.9
194.09637	20.3
195.11691	22.5
196.11121	12.0
197.09586	17.5
197.11363	8.8
197.13297	16.5
199.11172	9.8
201.09154	7.5
203.08575	7.5
205.05014	9.3
205.10098	7.4
206.10873	11.0
207.11710	31.3
209.09744	12.7
209.11555	12.8
209.13303	20.4
211.11218	18.7
217.10159	16.1
218.11021	10.5
219.11816	14.0
221.13242	14.8
227.10793	7.7
229.10141	8.2
229.74666	7.6
231.11737	8.7
233.13283	14.4
235.11136	9.5
237.12737	7.8
241.16187	8.8
243.13893	10.9
244.05946	41.2
245.13409	10.2
246.10315	10.0
251.10704	8.8
257.19046	8.9
259.14786	7.9
261.12747	13.2
271.16983	11.0
272.05533	52.1
273.06223	39.1
273.15808	7.8
273.18622	18.0
274.07050	16.6
275.20120	28.0
277.12228	11.9
281.17767	12.6
289.18079	18.6
291.19678	20.1
303.13837	12.3
309.18558	10.4
311.20169	14.1
319.16953	16.0
333.14984	13.3
337.18082	33.0
347.16437	13.1
349.23782	10.9
365.17535	12.8
375.16202	10.1
383.18488	23.8
411.18109	22.8
441.19058	8.2
467.15933	22.4
471.20059	8.8
537.31226	8.0
555.33209	34.1
573.22137	8.5
573.25604	8.0
573.33997	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73399	3.0
55.01868	12.2
55.05504	16.5
56.70660	3.3
57.03434	5.7
57.07076	54.9
59.05012	8.2
65.03930	4.2
67.05502	45.3
67.48544	3.2
69.03436	11.1
69.07079	19.7
69.36877	27.1
71.04982	5.6
72.08155	3.6
73.69402	4.0
79.05482	45.0
81.03424	25.0
81.07049	33.7
81.07481	4.8
83.04983	13.2
83.08609	6.7
85.06530	8.0
91.05480	42.5
93.07042	43.8
95.01329	100.0
95.04370	6.2
95.04971	67.8
95.08615	25.3
95.39234	3.1
97.02915	3.8
97.06540	7.8
99.04460	3.5
103.05524	5.1
105.07030	61.2
105.07693	5.0
107.04945	13.9
107.08593	29.2
109.06528	18.7
109.10161	14.3
115.05471	6.0
117.07011	19.4
119.04963	5.4
119.08567	31.1
121.02866	4.6
121.06510	21.3
121.07248	3.6
121.10159	11.3
123.08072	7.6
123.11746	3.4
125.09607	4.5
128.06221	10.3
128.07140	3.0
129.06976	24.6
131.04930	7.7
131.08572	22.1
133.06490	19.9
133.10095	25.2
135.04437	3.5
135.08055	11.6
135.11703	8.1
141.06973	6.3
142.07814	11.8
143.08568	32.7
145.06488	19.7
145.10109	29.7
147.08043	16.5
147.11700	14.8
149.09659	10.4
151.03935	6.9
151.07506	3.4
151.11220	6.3
154.07806	6.3
155.08553	19.1
156.09308	4.4
157.10124	27.1
159.04483	4.8
159.08058	23.2
159.11714	14.5
161.05974	57.3
161.09633	13.5
161.13283	5.1
163.07599	4.8
163.11194	11.1
166.07733	6.9
167.08545	5.0
168.09358	4.7
169.06633	4.6
169.10114	21.4
171.08061	9.7
171.11737	9.9
173.09636	11.3
173.13173	4.2
175.03976	6.1
175.07516	18.8
175.11292	9.8
177.05675	4.6
177.09166	4.1
178.07770	4.9
179.08568	9.9
180.09283	3.7
181.10127	14.9
183.08087	7.0
183.11720	13.1
185.09621	10.6
187.07564	10.5
187.11136	4.0
189.05482	8.2
189.09019	5.1
189.11160	4.9
193.10152	8.8
195.08101	9.2
195.11710	13.9
197.09625	7.6
197.13235	4.8
199.07645	8.1
199.11154	7.6
201.09131	8.9
201.12746	5.4
203.03447	4.4
203.08728	6.4
203.10674	9.2
203.17932	9.4
204.09291	3.7
204.18330	4.9
205.04964	6.9
205.10150	8.9
207.02785	6.6
207.08115	4.0
207.11702	13.8
208.03314	4.8
209.09608	14.0
209.13344	5.0
211.07632	5.0
211.11111	7.0
213.09117	5.2
215.10681	5.4
217.10143	5.6
219.11748	6.8
221.09627	6.2
221.13249	8.1
223.11224	7.9
224.11821	4.1
225.09128	9.9
225.12752	4.4
227.06926	4.6
227.10675	9.9
227.12613	8.1
229.12283	7.1
231.02824	6.2
232.03200	7.5
233.04478	5.0
233.09752	7.2
233.13237	9.4
235.11270	9.5
237.09042	7.7
237.12852	4.3
239.10666	6.1
241.08414	4.7
241.12244	5.2
243.87302	3.7
246.10255	4.5
247.11275	6.3
249.12834	5.9
251.10588	5.8
251.14423	4.8
253.08675	4.9
253.12289	6.1
253.16052	4.1
255.13872	7.6
258.07617	4.3
263.10651	6.4
263.14215	6.6
264.11508	3.7
265.12192	7.8
267.13721	5.9
269.11880	5.3
271.14044	4.0
271.16989	4.9
273.12656	8.0
273.18588	8.2
274.07153	5.4
275.20078	14.7
275.22934	3.5
277.12256	14.3
279.13846	6.1
281.17471	5.0
287.14236	6.8
289.12064	3.6
289.18298	3.9
291.10263	5.3
291.13742	10.5
291.19504	8.8
293.11676	4.3
293.15225	4.1
294.10559	5.4
295.16794	6.1
305.15192	7.1
307.13278	4.0
307.16748	6.8
315.13870	4.4
319.13074	3.5
319.16779	5.1
321.14841	7.4
321.18475	4.3
323.16376	6.4
331.13217	6.9
333.14960	8.3
335.12677	4.6
337.17996	5.6
339.84720	3.5
347.16614	5.0
349.14328	15.3
349.18063	7.0
351.15988	28.0
353.10251	4.7
359.16550	4.4
361.18066	4.2
365.17410	11.1
367.15353	9.6
371.16278	7.5
377.13736	7.9
389.17456	3.7
391.18906	8.5
393.17465	15.5
395.14825	10.6
409.20126	6.5
411.18225	19.4
413.16074	10.6
417.16870	4.3
425.19608	12.0
435.17981	8.1
453.18744	8.3
471.20230	29.6
555.33356	4.2
573.26538	38.5
573.34424	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	573.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	19.0
55.01879	11.9
55.05502	41.9
56.76581	11.4
57.03420	19.8
57.07062	47.6
57.24707	12.3
59.04988	22.3
65.03922	14.1
66.20898	11.5
67.05509	55.0
69.03404	18.2
69.07072	23.9
71.53508	15.1
79.05480	47.6
81.03408	42.2
81.07069	62.1
83.04964	20.1
83.08648	12.3
85.02898	29.0
85.06537	26.6
85.36211	12.9
90.72790	11.8
91.05495	82.2
93.07041	69.1
95.01324	45.1
95.04957	67.5
95.08588	40.2
97.06544	15.0
103.05488	11.6
105.03423	13.5
105.07021	97.4
107.04958	18.5
107.08598	100.0
109.02899	15.4
109.06509	28.6
109.10126	21.7
111.04507	14.1
111.08053	39.8
115.05470	18.5
117.07005	40.2
118.59333	11.9
119.08589	75.4
121.06496	39.8
121.10137	32.5
123.08047	16.8
124.20184	11.1
126.97787	11.0
128.06238	46.4
129.07011	57.6
131.04922	12.4
131.08578	57.1
133.06509	19.6
133.10126	37.3
135.07994	20.7
141.06967	33.5
142.07780	39.8
143.08566	95.9
144.09375	13.3
145.06448	32.1
145.10103	69.2
147.04431	12.2
147.08025	18.8
147.11690	14.1
149.09633	12.6
154.07729	22.8
155.08546	57.1
156.09329	24.6
157.10124	83.2
159.08049	30.7
159.11673	54.5
163.07513	12.4
163.11165	14.1
165.07014	39.3
166.07790	15.9
167.08534	52.5
168.09357	31.2
169.06491	16.3
169.10126	88.0
170.10893	22.3
171.08015	36.0
171.11682	36.1
173.05923	14.1
173.09634	35.6
173.13269	24.6
175.03856	12.3
175.07640	14.7
175.11166	13.1
178.07758	26.5
179.08528	46.2
180.09274	17.4
181.10176	61.1
182.10797	11.6
183.11691	80.3
185.09593	32.2
185.13181	30.1
189.09053	11.3
190.80183	11.9
192.09375	32.7
193.10158	58.4
195.08020	18.7
195.11678	48.8
196.12340	15.9
197.09641	29.4
197.13213	26.7
198.14070	14.3
199.11160	27.8
199.14824	20.7
201.01787	13.3
203.03427	62.6
203.08577	19.8
205.10078	32.7
206.10918	27.6
207.11679	44.0
208.12581	14.9
209.09587	23.4
209.13245	30.7
210.14058	13.5
211.11211	32.8
211.14900	21.7
213.08981	11.3
213.12749	18.7
215.08678	14.2
215.14360	24.5
216.09644	13.7
217.10129	22.4
218.10869	14.0
219.11577	26.5
221.09601	14.8
221.13264	38.5
223.11081	35.5
223.14844	23.9
225.12775	21.5
225.16380	19.1
227.14391	14.0
229.10181	16.5
229.12111	15.5
230.10878	15.9
231.11766	16.1
233.13187	26.2
234.10417	13.5
235.11209	26.4
237.12744	22.4
237.16238	18.5
239.14366	14.5
241.08705	13.8
243.13718	21.5
245.13432	18.2
247.11145	14.8
248.11839	14.4
249.12817	29.4
251.14275	15.6
253.12097	17.4
253.15953	18.2
259.11209	13.5
261.12747	17.4
263.14307	19.3
269.08264	11.7
275.14120	12.0
277.12106	13.1
281.15338	14.9
291.13812	15.3
295.16736	17.9
305.15399	17.1
309.18185	16.9
319.16800	13.9
337.17703	21.5
383.18671	53.7
393.17407	14.0
411.17993	21.2
453.19241	19.0
488.58902	12.9
563.16736	13.2
573.33948	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.0
57.07075	7.1
65.35405	2.9
67.05504	15.3
69.07061	13.0
69.50915	5.0
69.51321	22.0
71.08636	4.2
75.00889	2.6
79.05489	12.9
81.03389	6.6
81.07053	56.9
83.08623	7.3
90.11626	3.0
91.05470	10.4
93.07056	22.9
95.04970	3.6
95.08598	27.4
97.10147	3.9
98.21519	6.2
105.07064	6.7
107.08604	10.0
108.83472	3.2
109.10152	10.5
111.72123	2.9
115.89462	3.7
121.10136	30.5
123.11713	4.6
123.94799	2.9
133.10164	3.3
135.11702	8.1
137.13287	3.8
145.10143	4.1
149.13248	13.8
157.10208	4.3
159.04408	3.7
171.07961	4.3
175.07585	3.4
185.09712	12.2
189.09106	9.0
201.09116	17.2
205.19543	7.1
213.09093	28.2
215.10690	3.0
219.10213	4.6
227.10693	8.7
227.14320	11.7
231.10210	3.9
237.12804	9.5
243.10196	2.8
255.10986	5.1
255.13794	98.1
256.14352	3.7
261.11224	7.9
267.15796	3.0
273.14975	15.5
279.12222	6.0
281.13870	5.8
297.14871	13.3
315.15918	100.0
327.28864	5.2
331.81808	3.2
333.16962	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	572.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23456	1.4
53.03939	4.0
55.05505	6.2
56.05037	2.8
57.03439	2.8
57.07078	3.0
58.06577	1.8
61.02935	1.9
65.03939	4.5
67.05505	19.3
69.03428	7.4
69.07059	6.6
69.28982	11.8
70.06594	29.2
71.04999	2.9
71.32303	1.6
72.08161	4.0
73.62160	1.5
74.06084	13.4
79.05486	4.8
80.05051	1.7
80.92204	1.3
81.03419	9.8
81.07035	7.6
82.06581	3.8
83.04998	3.3
84.04500	2.9
84.08128	7.2
85.02895	12.9
85.06544	10.9
86.06091	2.1
86.09693	7.2
87.00822	2.0
90.50778	1.4
91.05486	11.5
93.07040	5.9
94.06580	1.8
95.04980	2.5
95.08595	6.9
96.08123	3.5
97.02892	6.9
98.06134	1.3
99.04487	3.6
103.05447	1.7
105.03386	3.9
105.07024	4.5
107.04940	3.1
107.08611	4.1
108.08123	2.2
109.02888	10.4
109.06557	1.5
109.10140	3.0
110.07166	4.5
110.09686	1.5
111.04436	3.3
112.07600	6.4
114.05598	1.6
116.07094	7.8
117.07037	1.5
119.04929	12.2
119.08599	4.1
120.06628	1.5
120.08101	3.9
120.45790	1.5
121.02816	2.0
121.06472	2.3
121.10172	2.6
122.05949	1.7
123.04425	2.1
123.08102	1.6
124.07572	11.7
125.07936	1.6
127.03906	10.2
128.07077	6.3
129.10309	1.8
131.04938	4.9
131.08545	2.0
133.02875	2.7
133.06570	1.4
133.10155	4.9
135.04407	3.5
135.08041	1.7
136.07558	3.1
137.05980	7.1
138.09120	4.3
139.07460	1.5
140.07022	3.8
142.08655	4.7
144.06613	4.8
145.02859	3.0
145.04955	3.1
145.10132	4.0
147.04405	18.2
147.11656	2.4
149.09760	1.3
151.03909	3.2
152.07103	2.2
155.08505	2.2
159.04414	5.6
159.08057	1.8
161.05952	2.3
162.05492	7.3
162.09125	3.7
163.03949	4.0
164.07031	2.0
165.05421	1.8
166.05876	2.0
167.07129	4.0
173.05896	1.6
174.09129	1.5
175.03906	100.0
176.04436	2.3
177.05496	10.3
179.07043	2.7
182.08038	2.3
185.05884	1.5
185.09587	2.3
186.09119	31.9
187.03906	18.3
187.07596	4.5
189.05458	9.9
189.09171	2.2
199.03967	3.0
200.07069	1.6
201.05435	5.7
201.09119	2.3
203.03407	4.7
203.07115	2.8
204.10201	38.5
206.04480	2.2
207.06519	15.0
211.07578	2.5
213.05589	2.8
215.07063	2.1
217.05008	2.1
226.06299	3.7
227.07094	2.3
229.08595	29.5
231.04890	1.8
231.10133	12.9
241.08539	14.3
243.10179	17.4
245.08072	3.0
247.09644	72.6
255.10233	5.1
259.09708	5.9
269.11713	2.1
271.09372	1.5
271.13263	4.8
272.12997	1.8
287.05551	9.6
295.13345	6.1
302.14087	3.5
304.18933	1.9
309.07730	2.8
313.14346	24.3
322.20212	2.1
331.15405	73.4
332.16138	1.7
336.12872	1.7
340.21219	3.2
349.16479	12.9
356.18539	3.1
358.22253	6.8
363.08340	1.9
366.15439	15.8
375.09018	2.1
392.20285	2.3
405.12650	1.7
522.18915	1.8
542.92712	1.7
555.14819	3.1
572.21381	9.8
572.30182	6.2
573.19019	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	572.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
57.03433	0.3
61.53310	0.2
65.03912	0.7
67.05487	0.3
69.03425	1.8
69.51391	1.6
70.06584	0.6
77.03901	0.4
81.03419	3.2
84.08109	0.3
85.02489	0.2
85.02909	2.2
86.09680	0.3
87.04477	0.5
89.03899	0.5
91.05479	11.7
95.04974	0.2
97.02847	0.6
99.04424	0.4
105.03401	0.3
108.05629	0.2
109.02878	1.2
116.04980	0.2
118.06518	0.3
119.04940	17.4
127.03905	0.6
129.03410	0.4
130.06503	0.6
132.02052	1.0
133.02834	0.3
136.05173	0.5
137.06070	0.2
145.05045	0.3
147.04405	16.4
148.04753	0.3
149.02335	0.5
157.03992	1.9
158.05994	1.5
159.06750	0.6
160.07536	1.3
162.05528	1.2
164.04616	0.4
172.07565	0.5
175.03908	28.8
176.04333	0.5
176.07062	0.3
179.07047	1.3
184.07518	0.4
186.09137	89.4
187.09491	1.3
192.04128	0.4
204.10197	100.0
205.10539	1.4
207.06525	33.3
214.08687	0.3
247.09729	0.5
331.15524	0.6
351.10971	1.1
366.15466	52.0
367.15826	1.4
369.11826	0.9
572.21259	24.0
573.21368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
54.35703	1.1
55.01877	1.9
55.05507	3.5
59.05011	2.1
67.05511	8.6
69.03434	7.5
69.07073	2.7
70.06590	18.2
71.04986	1.4
72.08147	1.4
73.02907	1.3
79.05490	6.5
81.03423	11.0
81.07078	9.2
82.97367	1.3
83.04972	3.2
84.04475	1.5
84.08170	1.7
85.02913	8.4
85.06541	3.0
86.09703	6.6
90.59155	1.2
91.05488	7.3
91.06862	1.2
93.07034	6.1
95.04979	4.5
95.08612	30.4
97.02888	10.8
97.06508	2.2
97.10239	1.2
98.03200	1.8
99.04469	2.3
103.05473	2.2
105.03376	3.8
105.07018	6.6
107.04943	9.1
107.08596	5.5
109.02904	8.1
109.10154	15.8
111.04458	1.9
111.08060	1.6
112.07586	2.3
116.07095	7.4
117.07048	2.0
119.04929	4.0
119.08587	3.4
120.08086	2.4
121.06493	1.9
121.10159	4.1
123.04449	1.3
123.08030	2.4
125.00555	1.7
127.03958	8.0
131.08585	2.4
132.04460	14.3
133.02859	19.2
133.06509	3.2
133.10152	1.7
133.33430	1.3
135.04417	49.8
135.05441	3.1
135.08020	1.8
136.07550	1.2
137.05992	2.5
137.09589	2.1
138.09145	2.6
144.05704	1.8
145.04941	1.4
145.06467	4.5
145.10208	2.2
147.04427	8.4
147.08034	5.1
149.05981	6.1
151.03897	14.7
159.04422	2.3
159.08064	5.9
161.05995	2.1
161.09602	2.2
162.05507	5.5
163.07556	3.1
165.05421	2.1
167.07059	1.6
173.06000	4.5
173.09625	3.1
175.03969	3.1
175.07582	3.6
176.01657	19.2
176.04800	1.5
183.08002	1.7
185.09508	1.8
186.09169	2.6
187.07545	3.3
189.05583	2.5
189.09108	4.8
190.08745	1.7
191.07069	1.9
201.09053	3.4
202.03223	3.3
204.10199	6.7
207.06525	5.7
211.07448	2.0
211.11249	1.8
213.09149	3.1
218.11746	3.3
222.02165	12.5
225.12778	3.0
243.13797	21.0
248.38054	1.6
253.12221	16.0
255.13809	3.3
256.14252	4.0
263.76987	1.4
271.10324	2.4
271.13287	47.5
272.13666	2.8
278.08524	2.4
289.14340	41.5
306.07959	6.1
324.08984	100.0
325.09344	4.2
379.15518	1.7
415.17514	25.7
432.11035	4.2
433.18680	8.8
450.12189	28.1
451.12228	3.0
468.13120	2.7
529.13141	4.9
572.21930	5.9
573.12219	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	572.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01610	0.2
53.03930	0.6
55.01861	0.2
56.11831	0.2
57.03440	0.2
61.02916	0.2
65.03930	0.6
66.36716	0.2
67.05500	0.3
69.03441	1.0
70.06576	0.8
71.04998	0.4
73.02902	0.3
77.03915	0.4
81.03419	2.7
85.02912	1.7
89.03900	0.4
91.05483	11.0
93.07055	0.2
95.04945	0.2
97.02883	0.8
99.04461	0.3
103.05470	0.2
105.03404	0.7
105.07008	0.2
108.05693	0.2
109.02885	0.9
112.07570	0.2
113.53004	0.2
116.04967	0.4
118.04144	0.2
119.04944	17.6
120.05265	0.3
120.84695	0.2
121.02866	0.3
127.03904	0.4
130.06487	0.7
131.04926	0.2
132.02081	0.6
133.02901	0.3
135.04439	0.2
136.05273	0.2
145.02843	0.3
145.05006	0.2
147.04413	15.7
148.16983	0.2
149.02338	0.3
157.03996	1.3
158.06021	1.5
158.09647	0.3
159.06795	0.6
160.07568	1.4
162.05515	1.3
164.04637	0.5
168.08110	0.3
175.03909	25.4
176.04242	0.5
176.07039	0.4
179.07016	1.1
183.77669	0.2
184.07576	0.3
186.09142	82.5
187.09442	1.3
192.04163	0.8
204.10202	100.0
205.10559	1.6
207.06529	35.3
208.06923	0.7
235.41971	0.2
246.11281	0.4
351.10901	1.5
366.15482	35.1
367.15616	0.9
369.12070	1.3
554.21106	0.3
559.10254	0.2
570.63928	0.2
572.21277	24.2
573.21820	0.9
599.30475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.6
55.01854	5.3
55.05516	20.1
57.03429	5.1
57.07064	15.7
59.04997	5.3
63.07660	3.5
65.03938	5.9
67.05508	32.8
69.03427	19.8
69.07059	18.1
69.07398	4.0
69.43922	31.0
70.15209	4.0
71.04986	13.7
79.05492	32.1
81.03424	12.7
81.07063	46.7
83.04990	27.6
83.08614	10.5
84.40628	3.6
85.06543	10.8
90.76502	3.9
91.05475	38.9
93.07050	66.7
95.04967	41.0
95.08614	70.5
97.06512	16.6
97.10152	4.0
98.20794	8.4
105.07038	60.2
107.08593	80.4
109.06513	25.3
109.10165	50.1
112.13541	3.9
115.05462	4.3
117.07011	15.8
119.08587	83.3
121.06506	11.8
121.10149	100.0
123.08039	13.1
123.11688	21.5
125.05994	12.0
128.06206	7.4
129.07024	10.8
131.08572	50.5
133.06514	5.4
133.10130	62.7
135.08078	14.1
135.11700	39.2
137.09625	7.2
137.13222	11.2
139.07524	13.5
141.06897	5.0
142.07808	12.9
143.08551	37.9
145.10124	58.0
147.08038	7.2
147.11696	33.3
149.06004	12.5
149.09645	12.1
149.13257	16.6
153.06924	5.1
154.47874	4.2
155.08580	15.5
156.06340	4.5
156.09254	5.1
157.10130	40.9
158.10933	5.9
159.08023	5.2
159.11716	44.9
161.09648	16.0
161.13278	30.2
163.11191	8.7
163.14799	9.4
165.09116	5.3
167.08539	8.3
169.10150	20.2
170.10852	6.3
171.11678	35.0
173.09633	10.5
173.13274	34.7
175.11185	14.5
175.14813	25.7
177.09207	4.5
177.12708	5.8
179.14345	4.9
181.10110	9.5
182.10909	7.7
183.11699	23.2
184.96083	3.6
185.09654	3.9
185.13292	31.1
187.11198	6.0
187.14847	19.1
189.12761	6.3
189.16389	17.5
191.10658	4.3
193.10123	4.0
193.12129	3.9
194.10925	4.5
195.11694	10.9
196.12433	4.5
197.13287	23.5
199.11215	6.3
199.14812	25.7
200.15598	20.6
201.12706	8.1
201.14713	5.7
201.16385	35.4
203.07959	4.1
203.10411	4.0
203.14302	7.4
203.17995	6.8
205.15852	5.5
209.13289	10.5
211.14778	16.2
213.12721	8.7
213.16440	14.1
215.14363	8.7
215.17926	38.9
217.15866	11.4
221.13368	9.4
223.14746	9.2
225.16400	15.1
227.14369	10.7
227.17906	11.1
229.15938	4.0
229.19453	11.4
231.13808	6.6
235.14873	5.6
237.16400	5.1
239.17830	8.9
241.15723	6.7
241.19556	5.9
243.17307	4.8
243.21123	9.0
245.13103	4.2
245.15399	7.2
249.16389	5.9
251.17821	5.5
253.19691	8.7
255.21147	6.0
256.26379	5.0
257.26569	6.6
265.19629	4.8
268.22012	4.4
269.18954	3.9
279.21066	4.2
289.09402	4.6
291.94193	4.1
293.22433	6.8
295.24161	13.3
297.18335	4.0
311.23489	4.9
313.25302	15.9
315.19647	4.7
319.24121	6.1
321.25784	10.1
333.25839	5.5
337.25348	9.1
342.10550	5.4
363.26840	42.0
374.07690	3.8
377.28485	5.4
379.26395	8.6
381.27847	32.0
393.27750	8.2
395.29382	4.2
415.31512	11.9
423.32391	4.0
433.31003	36.0
451.32095	47.4
452.31900	4.2
465.33328	9.0
469.33011	16.7
483.34680	14.7
491.92755	4.3
515.70990	4.1
535.37537	7.7
553.39398	21.6
571.32935	7.9
571.41522	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	571.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.9
55.01856	7.8
55.05519	28.4
57.03429	6.3
57.07077	31.1
57.45722	4.1
59.04980	5.9
65.03931	6.5
67.05508	49.1
69.03436	20.5
69.07071	34.7
69.48877	32.0
71.04984	14.3
76.96390	4.6
79.05156	4.4
79.05505	52.0
81.03417	16.9
81.07063	69.9
83.04977	33.3
83.08607	11.1
85.02882	5.4
85.06534	14.6
91.05479	54.1
93.06488	5.6
93.07045	76.0
95.04971	54.4
95.08609	83.1
97.06524	17.0
97.10168	6.8
99.04453	5.2
103.05487	4.2
105.07042	90.7
107.04960	9.4
107.08597	86.3
109.06517	25.0
109.10151	50.1
111.08086	9.0
115.05450	5.8
117.06986	30.2
119.08582	100.0
121.06519	13.4
121.10143	90.1
123.08072	14.1
123.11698	27.4
125.05986	9.1
127.07596	4.0
128.06200	7.6
129.07034	19.9
131.08575	52.0
133.06538	7.2
133.10127	69.8
135.08038	14.4
135.11700	57.8
137.09590	10.1
137.13237	14.8
139.07521	11.7
141.06995	8.8
142.07768	11.6
143.08559	36.7
145.10126	74.8
147.08047	11.9
147.11691	44.9
149.05945	6.6
149.09644	9.8
149.13251	20.0
155.08534	17.7
156.09315	8.3
157.10143	44.9
159.08058	5.9
159.11702	56.6
161.09619	19.9
161.13235	29.0
163.11169	9.4
163.14838	9.2
165.09077	5.9
165.12675	5.3
167.08546	6.9
169.10191	19.3
170.10893	5.9
171.11694	32.5
173.09596	16.6
173.13274	36.5
175.11185	14.1
175.14850	30.6
177.12724	5.5
177.16324	10.0
179.08635	4.5
181.10152	10.0
183.11713	32.6
185.13235	32.4
187.11209	10.0
187.14790	35.3
189.12794	9.6
189.16368	27.1
194.11038	4.8
195.11734	9.6
197.09616	4.5
197.13251	28.1
199.14841	26.3
200.15594	13.6
201.12718	12.0
201.16364	33.4
203.14307	7.9
203.17986	9.5
205.16025	9.6
207.11752	5.3
209.13243	14.4
211.14844	13.7
213.12703	11.1
213.16425	12.8
215.14308	13.1
215.17981	30.3
217.15935	10.8
219.13858	4.2
219.17329	4.8
221.13278	6.1
223.14854	12.1
225.16385	12.8
227.14296	14.3
227.17964	13.1
229.19469	10.1
231.13779	7.1
231.17542	5.5
235.14615	5.1
237.16428	10.7
239.14117	4.8
241.15858	5.6
243.20998	6.0
245.15326	7.9
248.61069	4.4
249.16530	11.8
251.17886	8.9
253.19452	5.2
255.20940	4.3
267.21133	6.2
269.19095	4.4
273.18518	5.8
279.20972	5.2
289.09708	28.0
291.19556	39.2
293.22662	6.2
295.24069	13.7
311.23508	7.9
313.25159	9.5
319.24146	11.1
321.25870	5.8
333.25583	4.4
335.23651	5.0
335.27359	5.7
337.25180	5.4
345.25690	4.4
351.26639	4.8
363.26910	47.5
375.26782	5.0
377.28320	6.5
381.27893	32.8
393.27850	10.5
415.30850	8.0
433.31042	46.1
451.32202	59.6
465.33664	5.8
469.33502	24.3
483.34552	12.8
535.37421	12.6
553.38770	25.4
571.36603	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03986	2.2
55.05508	5.9
57.07071	3.7
57.18902	2.0
62.04621	2.3
67.05512	18.3
69.07064	9.5
69.81114	13.1
72.08150	24.7
79.05483	4.7
81.07055	20.7
83.08613	2.8
85.06541	8.5
89.06036	14.7
91.05453	6.1
93.07043	7.8
95.08633	11.7
98.21609	2.9
102.90092	2.4
105.07032	3.6
107.08601	5.6
109.10125	5.3
121.10159	13.9
121.53016	2.2
123.11709	3.5
127.06028	2.4
131.04941	5.0
133.08629	8.1
135.11729	2.8
147.04370	11.0
159.04398	5.5
163.03979	4.7
173.06009	3.0
175.03915	100.0
177.05515	5.7
187.03934	26.7
187.07518	2.7
189.05490	7.6
199.03923	8.2
201.05457	6.7
203.03365	3.7
203.07080	4.4
213.05496	2.7
217.08601	3.6
222.31970	2.2
226.06290	11.3
228.07732	3.6
229.08635	31.7
229.56821	2.4
231.10193	8.2
241.08612	25.7
243.10190	19.9
245.08054	4.1
247.09659	49.3
255.10167	5.9
259.09686	8.1
295.13235	12.5
313.14407	31.4
331.15427	11.7
371.22574	4.6
420.55273	2.9
436.36850	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	570.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.3
57.48037	4.1
67.05515	24.7
69.07058	7.0
70.24419	17.9
78.14198	3.8
79.05492	8.3
81.07054	40.0
85.06527	15.8
89.06006	16.0
91.05477	4.6
93.07039	9.0
95.08575	12.4
107.08605	6.9
109.10153	8.5
121.10132	11.2
133.08607	8.6
135.11746	4.0
137.13254	5.2
147.04410	11.9
159.04448	9.1
159.97299	4.0
163.03867	8.9
175.03906	100.0
177.05441	9.7
177.11151	4.2
185.28941	4.2
187.03911	19.7
189.05463	11.3
198.84662	4.0
226.06285	6.6
229.08565	30.1
231.10190	12.7
241.08673	20.4
243.10152	27.4
245.07980	4.3
247.09648	71.8
255.10124	5.7
259.09622	11.3
271.65219	4.3
295.13138	5.0
297.81934	4.3
313.14331	29.1
331.15485	25.4
515.78070	4.0
570.57495	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	570.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23981	0.4
55.05498	0.6
57.07073	7.3
58.06604	2.2
65.03947	0.4
67.05494	1.1
70.06589	17.5
71.08632	2.1
72.08143	0.9
77.03936	0.5
79.05479	0.9
81.07063	1.0
83.04951	0.6
85.10156	0.8
88.07628	20.8
91.05464	0.9
93.07055	0.7
95.04956	0.6
95.08595	0.6
98.21519	1.3
102.09177	15.9
105.03381	15.7
105.07026	0.8
107.08597	1.0
109.10184	0.8
121.10129	0.7
131.04926	0.8
135.51268	0.4
145.10118	0.9
145.52721	0.4
149.02344	11.8
149.05971	64.5
153.06976	0.4
157.10211	0.5
159.11671	0.5
170.91553	0.4
175.04005	0.8
177.25542	0.4
181.06505	1.7
193.04961	9.3
207.02780	0.4
212.23668	0.6
219.06490	1.0
231.02890	1.9
233.04431	1.0
255.72119	0.4
256.26334	52.9
257.26697	1.3
297.07553	13.2
297.98044	0.5
336.88669	0.5
341.10181	54.9
342.10553	1.6
396.45917	0.5
474.68011	0.5
503.62445	0.5
570.34204	100.0
571.34692	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	570.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	5.1
57.07061	4.3
65.74672	2.1
67.05504	12.9
67.11664	2.3
68.56751	2.0
69.07055	8.6
71.44688	3.7
71.45018	3.0
79.05489	5.3
81.07070	15.6
85.06541	10.2
90.78798	2.2
91.05460	3.7
93.07017	5.5
95.08599	6.2
107.08598	4.6
109.10136	3.4
114.39571	2.0
121.10146	11.5
131.04858	4.5
139.01559	2.0
147.04416	8.3
159.04425	4.5
163.03906	5.1
175.03912	100.0
177.05466	4.1
187.03937	30.6
189.05417	8.9
199.03914	7.7
201.05440	6.6
203.03336	5.1
211.07541	2.2
215.07043	3.2
226.06200	9.6
227.07014	3.1
229.08592	25.5
231.10246	8.0
241.08575	29.4
243.10146	21.0
245.08008	3.9
247.09677	45.2
255.10201	3.2
259.09726	7.4
266.54147	2.3
271.10220	2.1
295.13269	8.5
309.38660	2.2
313.14334	28.2
331.15347	15.7
348.38174	2.0
420.36688	2.1
471.77045	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	570.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01405	1.1
53.03938	1.6
55.01836	1.4
55.05501	3.5
57.03428	3.2
57.07071	1.4
59.04988	1.8
60.04507	1.0
61.02913	3.0
66.26468	1.1
67.05500	5.9
69.03432	8.0
69.07066	7.9
69.62183	6.4
70.06593	12.9
71.04981	1.7
72.08156	3.0
74.06091	1.5
77.03963	1.0
79.05480	4.3
80.87370	0.9
81.03432	6.1
81.07058	16.6
82.06581	1.8
83.08613	3.2
84.08117	1.9
85.02910	29.7
86.09698	2.6
87.04448	3.7
91.03957	1.4
91.05487	6.9
93.07046	11.6
95.04955	2.5
95.08610	19.8
97.02885	8.2
97.06509	2.7
99.04459	1.3
99.08100	1.3
100.92037	1.2
101.05994	1.6
104.07137	1.8
105.07034	22.0
107.04966	1.9
107.08593	9.9
109.02881	6.0
109.10156	11.0
110.07177	1.7
111.08075	4.1
111.29042	1.0
115.07585	1.4
116.07087	1.2
119.04917	2.8
119.08587	44.7
120.08109	1.9
121.02879	1.4
121.10167	5.0
123.08054	2.1
123.11734	2.6
124.07603	1.2
125.09602	4.4
127.03919	7.4
128.07088	2.3
129.09212	1.0
131.08519	1.6
133.10133	23.8
135.11681	7.3
136.06145	1.5
137.05952	1.9
137.09608	1.9
137.13235	3.9
145.04956	12.7
145.06117	1.6
145.06450	1.4
145.10208	1.5
147.04398	2.8
147.11690	9.5
149.13268	4.0
151.03928	1.1
151.11174	1.3
154.05045	1.3
160.07555	1.6
163.06087	5.2
163.07217	1.2
163.14838	2.3
165.16385	3.4
175.03918	3.7
175.07582	1.0
175.14828	88.1
178.05034	1.8
185.16521	1.3
193.15887	100.0
202.08900	1.2
202.10759	2.5
205.08609	1.8
207.06493	7.6
208.06757	1.7
211.16939	33.3
229.17944	5.7
246.07468	1.1
247.37280	1.1
357.89435	1.1
382.45502	1.2
405.11078	1.1
408.16910	1.4
440.26999	1.1
546.66913	1.2
570.21893	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	570.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01846	1.8
55.05504	3.3
61.02917	2.5
67.05506	5.5
69.03430	8.3
69.07057	9.4
69.31161	18.7
70.06594	27.0
71.04984	3.4
72.08154	4.2
72.08553	1.8
73.02916	2.1
79.05492	5.9
81.03413	7.8
81.07052	16.8
82.06579	3.2
83.04997	3.8
83.08586	2.3
84.04505	4.6
84.08125	5.1
85.02902	18.4
85.06546	5.7
86.06045	2.6
86.09683	3.5
91.05482	8.3
93.07050	8.3
95.04942	3.8
95.08607	19.9
97.02901	5.9
97.06554	6.1
97.10169	3.4
98.20705	3.6
98.42374	2.2
99.04464	4.9
99.08063	2.9
105.03445	2.2
105.07027	7.6
107.08593	11.7
109.02877	8.5
109.06483	3.7
109.10158	28.1
110.07174	2.7
111.08073	3.9
112.07590	2.2
113.95023	2.0
116.07146	2.2
119.04964	5.3
119.08579	44.7
120.08106	4.4
121.02906	2.2
121.10145	12.7
123.08054	4.0
123.11672	5.5
125.09648	7.6
127.03933	7.0
127.07538	2.7
128.07069	10.1
129.10252	3.2
133.10139	26.0
134.42274	1.8
135.11697	14.4
136.03952	2.2
136.06375	1.9
136.07567	6.9
137.09627	9.2
137.13280	2.6
138.05411	2.4
141.09081	4.3
142.08583	3.5
145.04930	6.7
147.04419	7.4
147.11679	3.5
149.13200	3.0
151.03893	2.7
151.14828	2.1
153.12817	2.3
154.04929	2.3
160.07613	3.1
163.07495	2.6
165.16393	7.0
167.07076	2.3
175.03954	4.5
175.14827	44.0
177.05403	1.9
178.04941	2.7
178.08638	2.8
193.15877	100.0
200.07025	5.9
206.04478	2.2
207.06567	8.3
211.16994	14.7
218.08171	4.9
229.17990	29.6
246.07516	2.1
247.09633	1.9
273.11111	2.7
409.13959	5.0
428.02982	2.1
492.21790	2.6
570.22211	3.7
570.31396	4.5
571.16351	8.7
571.24329	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	570.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
62.17663	1.3
67.05500	3.3
69.03424	3.7
69.07063	1.9
70.06599	4.4
71.53123	1.6
79.05477	5.0
81.03418	4.0
81.05807	1.3
81.07062	6.0
82.06587	3.7
83.04973	1.8
84.08134	2.1
85.02898	3.1
86.09695	2.5
89.03934	2.2
91.05473	6.4
93.07050	5.4
94.06565	4.7
95.04961	1.9
95.07339	3.0
95.08575	2.7
96.08144	12.8
97.02922	1.6
97.06519	1.5
105.07043	2.8
106.06540	2.0
107.04961	2.9
107.08599	3.2
108.08123	11.9
109.02895	3.6
109.06541	1.6
109.10210	3.0
110.09677	13.5
116.05000	6.0
119.04982	1.4
119.08546	1.8
120.04500	1.4
120.08068	7.3
120.98086	1.2
121.02845	1.3
121.06457	1.6
122.06013	8.5
123.11728	1.4
124.07587	29.0
125.09612	1.8
127.03942	2.0
128.07089	3.5
133.10103	2.0
134.05983	1.6
136.07565	10.9
138.09137	15.1
138.85022	1.2
144.04456	18.9
145.04910	1.4
146.06078	1.7
146.38858	1.2
147.04359	2.0
148.07571	3.8
149.05972	1.7
152.07074	5.7
154.08727	2.1
160.03978	1.7
162.05540	8.4
163.07430	1.3
164.07126	1.6
166.04932	1.2
166.08641	25.6
172.03937	72.2
178.04951	2.4
182.08189	1.6
184.07332	7.4
190.04994	38.1
198.07669	3.1
204.06560	95.5
206.04524	1.8
207.06718	1.7
212.09137	2.4
214.10675	4.9
223.08521	3.6
224.09253	1.9
225.10226	2.7
235.08589	1.8
236.09430	2.9
237.10266	5.2
238.11043	1.9
249.10281	1.6
251.08224	8.4
251.11848	4.2
252.09085	1.6
253.09718	5.8
254.17424	2.0
255.13753	1.8
263.08124	1.4
264.09039	5.7
265.06955	1.5
265.09729	12.3
266.10550	1.7
267.11258	2.9
279.07687	12.6
279.11304	6.3
280.08612	3.4
281.09271	3.7
281.12900	1.6
282.10132	1.6
283.10684	1.4
292.08472	4.3
293.09238	11.5
294.09961	5.3
295.10703	1.8
297.09073	2.1
297.12302	14.0
299.10147	1.9
301.11926	2.3
307.10791	4.9
309.12402	5.7
310.09409	2.6
311.10287	2.8
313.11786	3.4
320.07996	2.1
321.08566	1.4
323.10425	2.7
325.11826	68.8
326.12366	1.8
335.10257	3.2
338.08957	12.9
339.13583	1.4
341.11349	13.9
343.12991	12.4
350.14398	1.6
353.11298	36.9
357.14401	10.9
358.11462	1.8
373.13910	14.2
385.13962	13.4
408.12173	2.1
452.17337	1.5
458.92035	1.2
462.20035	3.3
474.16626	1.5
478.19684	3.6
488.18115	2.6
506.19257	41.5
507.19571	2.7
510.21555	1.3
538.21857	100.0
539.21753	1.8
570.22125	2.4
570.37793	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47830	0.6
61.76947	0.7
70.06567	1.4
71.51515	1.3
78.53117	0.7
93.52099	0.6
99.04412	0.7
115.05459	1.2
117.05696	0.9
117.07012	1.2
118.06548	16.8
130.06546	1.8
132.08096	6.2
142.06487	0.9
143.07312	1.8
144.08086	12.4
144.09207	0.8
146.06012	58.4
159.09195	4.2
160.07654	0.8
170.05972	4.1
188.07074	100.0
189.07368	1.9
205.09731	42.7
206.10030	1.4
206.49622	0.9
313.00458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01875	3.8
55.05515	3.0
57.03411	1.4
61.02931	1.8
61.16574	1.3
62.46408	1.2
65.03946	2.2
67.01858	1.9
67.05495	7.2
68.99783	3.1
69.03434	6.0
69.07071	3.1
70.06589	3.4
70.72569	3.8
71.04997	2.1
71.89303	1.3
73.02917	1.3
79.05486	4.9
81.03408	6.2
81.07072	10.2
81.27013	1.2
82.12299	1.3
83.04980	2.2
83.08625	1.8
83.70374	1.2
84.04498	1.3
85.02908	13.3
87.00830	4.0
91.05489	7.0
93.03410	2.5
93.07043	12.4
95.04980	6.3
95.08600	5.0
97.02885	4.8
97.06555	1.7
99.08097	1.7
103.03915	1.8
103.05466	2.2
105.03394	3.2
105.07027	5.9
107.04949	3.7
107.08604	9.3
109.02876	5.5
109.06506	2.2
109.10152	9.3
111.04443	3.8
115.05442	2.4
117.07018	2.8
119.04955	2.3
119.08596	3.8
120.08083	1.9
121.02858	6.3
121.06518	3.7
121.10101	2.2
123.04401	4.9
123.11704	2.8
127.03903	5.7
129.01839	4.1
129.07014	1.5
131.04950	5.8
131.08525	2.8
133.02858	2.1
133.06497	2.5
133.10126	3.0
135.04428	7.2
135.11682	8.0
137.05971	3.4
139.03906	5.4
141.06964	3.0
143.04898	1.3
143.08603	1.4
145.06474	4.8
145.10115	3.2
147.04405	5.1
147.07967	1.7
147.11732	3.4
149.02328	4.9
149.05943	6.6
151.03914	9.7
157.10118	2.1
159.04411	12.0
159.11703	2.2
161.05998	3.7
163.03882	12.1
163.07501	2.8
165.05560	3.0
167.03400	4.6
169.06474	1.9
173.06007	8.2
175.03938	15.3
175.07533	2.3
177.05470	30.6
179.03462	1.8
181.04962	18.5
187.03915	15.2
187.07524	3.0
189.01865	1.7
189.05536	2.0
191.07008	9.3
193.04964	39.5
195.06493	2.0
197.05998	2.8
201.05458	19.6
203.07010	4.1
205.04977	40.8
207.06572	2.9
211.03889	2.3
211.05901	2.1
213.05565	1.5
215.07060	5.8
215.10583	1.8
217.04987	6.1
217.08516	2.1
219.06519	34.7
221.04422	8.3
221.08087	3.0
223.06007	62.7
225.05450	13.6
229.05029	12.5
231.02855	1.6
231.06448	3.5
233.08023	6.6
235.06047	4.9
235.09970	1.4
243.06509	25.0
245.04530	2.2
245.08179	7.0
247.06029	75.0
248.06285	1.8
253.04968	5.5
259.05966	2.8
261.07587	7.0
263.09079	9.5
269.08279	1.7
271.06012	31.7
277.07089	1.9
285.10980	1.3
285.14774	3.9
287.09088	5.2
289.07095	66.6
303.15906	5.4
303.23282	1.8
305.10352	1.8
307.08148	2.7
311.09174	3.0
315.16025	1.5
321.16965	2.3
327.16016	6.7
329.10181	6.0
345.16937	14.8
351.07376	2.5
351.15897	4.4
356.17526	1.3
363.07565	1.6
363.18015	4.2
369.16989	10.1
375.06830	2.9
387.18124	2.5
393.08173	23.7
393.17035	3.9
411.09250	100.0
411.17178	7.4
412.09351	1.8
429.10214	8.7
429.19165	1.6
433.11481	3.1
515.19043	7.0
533.20038	5.8
551.21320	2.3
569.20471	2.0
569.28979	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	569.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01868	1.3
55.05491	1.1
57.03413	0.7
57.79766	0.4
61.02921	0.9
67.01862	1.6
67.05498	1.9
68.99799	1.0
69.03439	3.2
69.07048	1.6
69.99378	1.8
70.06596	1.0
70.83121	0.4
71.04978	1.1
73.02891	0.7
79.05508	2.4
81.03423	4.7
81.07057	3.5
83.04979	1.1
84.08137	0.5
85.02905	5.9
86.09707	0.5
87.00838	2.8
91.03981	0.4
91.05496	2.0
93.03387	0.6
93.07050	4.8
95.04945	2.0
95.08594	1.9
97.02895	2.9
98.21479	0.8
99.04448	1.6
103.05457	0.6
105.01857	1.4
105.03356	0.6
105.07033	1.5
107.04956	1.5
107.08585	2.8
109.02877	3.9
109.06535	0.5
109.10160	3.6
111.04427	0.4
117.01821	0.6
117.06998	0.6
119.04977	0.5
119.08562	1.5
120.08154	0.4
121.02878	1.9
121.06485	1.2
121.10131	0.8
123.11694	4.0
127.03929	3.6
127.11156	0.5
131.04947	0.7
131.08562	0.4
133.10143	1.3
135.04433	2.9
135.08040	0.6
135.11691	4.3
137.05939	0.7
139.03903	7.1
143.08588	0.6
145.04938	1.4
145.10123	0.5
147.02888	0.4
147.04401	1.2
147.11714	0.5
149.02319	0.4
149.05997	0.6
149.13165	0.4
151.03871	1.8
151.07619	0.5
153.05460	0.8
153.12753	0.4
157.10062	0.6
159.02878	1.4
159.04378	1.2
159.11693	1.1
161.05930	0.6
163.03908	32.3
165.05449	0.9
169.04982	1.0
173.05965	1.0
175.03926	1.2
175.07658	0.5
175.11130	0.5
177.05490	3.4
177.12814	0.4
179.07074	1.9
181.04956	100.0
182.05312	1.3
187.03891	1.7
191.07039	0.9
193.04883	2.3
193.08607	0.8
195.06512	1.4
201.05493	1.6
203.06970	2.5
205.04984	3.1
207.06508	0.9
211.20856	0.4
217.08600	0.4
219.06590	3.1
221.08086	21.2
223.06055	6.5
223.09660	0.6
225.05470	0.7
229.05002	0.9
233.08211	0.7
235.09651	0.9
239.09126	7.0
243.06532	1.5
245.08138	0.6
247.06010	6.1
247.09679	4.1
253.05099	0.4
259.06137	0.4
261.14880	0.8
263.09033	0.6
271.06009	1.8
279.15979	0.5
285.14911	0.8
289.07108	6.4
303.15903	32.6
304.16263	1.1
321.16928	7.5
327.16013	0.5
329.10333	0.7
345.17044	1.3
351.15823	0.6
358.76218	0.4
369.17130	0.8
393.08124	2.2
405.11237	0.4
411.09235	7.2
411.17844	0.8
429.10220	1.1
433.11029	0.4
446.42715	0.4
537.20526	0.4
564.57458	0.4
569.20435	0.5
569.29053	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	569.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69241	0.6
70.06573	1.6
71.52344	0.8
80.19051	0.5
85.02914	0.9
85.06507	0.5
91.05482	1.0
105.01803	0.6
110.07159	0.7
115.05465	1.4
117.07018	1.2
118.06541	16.6
127.03953	0.6
130.06537	2.1
132.08102	5.1
142.06505	1.6
143.07277	1.6
144.08084	12.8
146.06009	61.5
147.06319	0.7
158.22285	0.6
159.09164	5.0
160.07657	0.8
170.06012	4.0
182.82782	0.6
188.07069	100.0
189.07425	1.6
194.42560	0.6
205.09726	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	569.1996
Annotation	Bistratamide B
Peak:m/z	Relative Intensity
51.49118	0.4
54.98031	0.4
55.05508	0.6
56.96553	1.0
57.07066	0.4
60.40066	0.4
67.05499	1.1
69.03413	1.7
69.07074	0.8
69.39554	1.0
69.39951	3.1
70.06585	3.5
71.04984	0.8
72.08159	1.1
79.05495	1.1
81.03410	1.4
81.07055	1.7
84.04491	0.6
84.08150	1.2
85.02896	1.7
86.09692	1.2
87.00854	0.5
91.05485	1.0
93.07035	0.9
94.06628	0.4
95.04961	0.9
95.08610	1.3
97.02877	1.2
99.04436	0.9
105.07023	0.8
107.04947	0.8
107.08595	0.9
109.02876	1.3
109.06518	0.6
110.01909	0.4
118.98557	0.4
119.08618	0.5
120.08123	0.8
121.02892	0.5
124.07616	0.7
127.03931	1.4
129.07045	0.6
129.10258	0.7
131.08528	0.5
133.02892	0.5
135.04401	0.9
135.11786	0.5
136.07568	0.7
145.10112	0.6
147.04326	1.1
151.39946	0.4
159.03259	0.7
178.08675	0.9
207.06584	0.6
211.11009	0.4
239.02312	0.8
253.12413	0.6
258.34177	0.5
271.13348	1.0
273.14810	1.0
281.07135	0.5
285.12354	0.8
291.05463	0.6
291.15588	0.4
303.04880	0.5
303.19473	0.4
305.06815	0.8
323.08014	5.7
341.09189	1.1
341.19458	0.5
346.09839	0.6
371.11575	0.7
389.12701	2.1
407.14218	10.2
425.14917	1.2
436.11920	0.4
462.31332	0.5
569.19873	100.0
570.20477	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	568.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.0
57.07080	9.8
57.07300	1.9
59.92411	1.5
67.05489	7.2
69.07073	4.8
69.84328	10.0
70.06573	6.5
71.08637	4.6
72.85676	1.5
79.05494	7.3
81.07058	11.4
81.93040	1.9
83.08622	3.1
85.10173	3.1
87.04545	1.6
88.07619	8.2
91.05480	12.1
92.67504	1.5
93.07052	15.5
95.04964	9.5
95.08607	10.8
102.09183	9.1
105.07018	18.5
106.07861	1.9
107.08619	13.8
109.06510	2.5
109.10165	7.6
117.07005	8.5
119.08579	29.1
120.09361	3.2
121.10159	9.7
123.08073	4.5
123.11705	1.8
128.06248	2.3
129.07002	3.6
130.07803	2.6
131.08543	12.2
132.09387	4.1
133.10112	18.4
134.10883	2.8
135.08015	1.7
135.11703	5.6
137.09627	1.9
138.10460	3.4
138.43335	1.8
142.07825	3.8
143.08566	9.9
144.09334	4.1
145.10118	25.5
147.11670	6.7
149.09525	2.0
155.08568	3.7
156.09349	6.1
157.10139	16.4
158.10909	3.3
159.11728	12.6
161.09642	2.1
161.13277	2.4
164.04520	1.9
168.09245	2.3
168.45589	1.9
169.10133	6.9
170.10858	4.4
171.11690	8.4
173.13254	12.6
175.14841	9.0
179.08607	2.2
181.10165	3.3
183.11679	8.9
185.13295	10.5
186.14098	2.6
187.14844	7.0
191.14233	2.2
193.10175	2.7
195.11719	4.7
196.12543	2.8
197.13329	10.0
199.14755	4.9
201.16414	2.1
207.11691	2.5
208.12582	1.7
209.13310	10.2
211.14842	6.8
213.16463	2.1
222.13835	1.6
223.14807	5.8
225.16394	4.5
226.16937	1.8
237.16225	2.6
239.17989	2.0
249.16626	1.9
251.17889	2.8
257.74271	1.6
263.17978	1.9
265.19495	1.7
283.26398	13.3
284.29501	23.8
311.29434	20.6
312.32706	7.9
323.23709	3.1
338.26083	17.3
430.32379	6.3
476.36539	7.2
568.43427	13.0
568.56622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23145	4.0
53.03930	6.2
55.05512	7.1
58.78642	4.6
67.05503	27.5
69.03417	8.0
69.07069	28.2
70.06584	14.1
71.52318	7.0
71.52711	7.4
72.08147	5.7
79.05493	22.0
81.03407	15.2
81.07059	29.1
84.08128	5.7
85.02906	20.7
86.09689	9.1
87.00833	6.2
91.05463	15.9
93.07034	24.5
95.04996	5.2
95.08614	39.5
97.02911	8.7
105.07033	23.6
107.08583	27.6
109.02874	7.5
109.06480	8.2
109.10167	30.8
109.39468	4.1
115.21270	5.3
119.08591	9.4
121.02867	4.1
121.10141	13.1
124.05116	4.2
125.83763	4.2
127.03906	17.3
129.06973	6.0
133.10110	12.1
135.04359	5.9
137.05948	4.6
141.07011	7.2
145.10123	6.2
147.08066	4.9
150.09145	11.5
157.06462	5.3
159.02980	5.5
159.04335	11.3
165.05486	88.9
165.06866	5.3
167.07022	4.4
173.06050	5.6
177.05501	13.2
184.07310	8.6
185.05991	11.2
189.05508	65.5
191.07036	14.7
193.08530	8.0
197.05952	12.0
202.90874	5.4
203.07014	63.1
205.04976	5.8
205.08592	6.6
213.29372	4.4
215.07089	7.5
217.08524	25.1
229.08624	25.2
253.12209	38.1
271.13425	7.1
285.14853	100.0
285.24255	7.0
313.80524	5.4
471.18417	6.0
501.17685	8.4
568.28137	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	568.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01870	1.9
55.05510	6.1
57.03427	1.5
57.59059	1.0
61.02923	1.3
61.21162	1.0
65.03907	1.2
66.92229	1.1
67.05490	2.0
69.03424	8.8
69.07060	1.1
69.38974	3.0
69.39395	7.6
70.06581	3.9
71.04985	1.9
78.47777	1.1
79.05489	3.7
81.03413	5.6
81.07055	4.3
82.06572	3.1
83.04984	17.7
84.08142	1.9
85.02898	8.1
85.06536	1.2
86.09711	2.2
87.00820	3.1
89.03927	2.1
91.05472	3.7
93.07048	2.5
94.06517	1.3
95.04944	2.1
95.08604	3.7
96.08128	2.2
97.02888	4.8
97.06524	1.6
99.04469	3.3
103.05498	1.4
105.03419	1.7
105.07020	4.4
107.08604	3.5
108.08122	1.3
109.02877	9.0
109.10192	2.5
117.68341	1.1
119.04934	3.4
119.08583	2.9
120.08083	2.6
121.06544	2.1
121.10133	2.1
123.06529	1.1
123.11739	1.1
124.99886	1.3
125.02273	1.2
127.03919	42.5
128.07091	7.5
129.03319	1.2
131.04893	2.0
131.08591	1.6
133.02866	1.4
133.10135	1.8
134.06013	1.5
135.11676	1.2
136.07571	2.6
137.05989	1.9
138.09105	2.6
141.06960	2.0
145.02855	6.6
145.04938	2.3
145.10086	2.3
147.04404	4.5
148.07582	1.9
149.02414	1.5
149.05997	2.8
151.03868	2.2
151.07492	1.2
152.07111	1.1
155.08563	1.9
157.02852	6.4
159.07996	1.4
161.05946	1.2
163.03857	1.7
163.07643	1.2
165.05473	1.5
166.08701	1.4
167.07063	2.7
169.06410	1.3
171.04436	2.1
173.02348	28.7
174.03130	5.6
174.06665	1.3
175.03905	6.7
176.07088	2.2
179.03358	2.4
181.04958	4.8
182.05365	1.2
184.07314	1.4
185.02386	5.8
187.03862	1.4
187.07556	1.9
191.07118	2.8
195.34363	1.1
197.05975	2.9
199.03880	11.2
201.01826	51.5
201.09109	1.3
202.00690	1.9
202.02599	46.8
203.03394	47.9
207.06560	4.6
208.06900	1.2
211.07547	4.1
213.03862	5.7
215.03374	4.5
215.07034	4.3
225.05466	2.6
229.04951	4.6
229.08597	2.9
235.08684	1.4
237.10217	1.3
239.07053	3.3
241.05069	1.4
243.06535	82.8
244.07063	1.5
247.06158	1.7
249.10182	3.8
249.15782	1.3
251.11909	2.5
253.12282	1.4
257.08060	7.6
265.09778	4.7
267.06512	4.1
269.08701	1.3
271.05997	1.6
277.09900	2.0
278.10513	1.8
279.11292	2.2
285.07578	100.0
286.04700	1.3
286.07785	2.6
293.11215	4.5
301.07175	3.8
303.08621	92.3
304.08868	3.1
306.10056	1.5
307.10739	1.2
309.12219	1.5
319.10809	1.4
321.12335	1.7
327.13492	2.1
337.11432	1.9
339.13483	5.3
350.14456	1.9
351.08536	2.3
369.09720	2.9
393.09409	5.8
397.13791	4.3
411.10733	15.7
492.21182	1.8
497.10947	14.3
515.11865	3.8
518.18988	1.4
524.24164	6.3
550.21808	30.6
568.22827	13.3
568.31104	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	567.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.6
56.05010	1.7
57.02293	0.6
57.03421	0.6
60.05616	2.3
69.03395	2.0
69.46719	2.0
69.47155	2.4
70.06564	2.1
71.04977	0.8
72.08130	0.7
79.05472	0.8
81.03388	1.9
83.06065	1.7
84.08132	0.9
85.02863	2.5
85.03326	0.6
85.06503	0.6
86.09653	1.7
91.05458	1.4
95.04955	0.8
95.06081	0.9
97.02845	1.0
97.07652	0.6
105.03343	2.6
105.05746	1.2
106.06534	1.4
107.32796	0.6
109.02880	1.5
110.73006	0.7
111.05560	7.9
113.07108	2.3
120.04458	9.3
120.08124	0.6
123.05528	1.0
126.06622	6.7
127.03876	1.1
127.07382	0.9
127.33406	0.5
132.04453	22.7
134.06007	9.4
137.04663	1.7
137.05859	0.6
140.08163	1.3
145.03964	0.8
145.05035	0.7
146.02353	0.7
147.04369	0.6
151.06158	8.3
168.08833	1.4
170.05544	0.6
173.28546	0.7
175.03922	1.4
181.38083	0.5
185.07112	0.7
187.07301	0.6
187.08778	0.7
189.09050	0.7
202.09753	15.1
207.06558	1.5
213.08974	1.2
214.09480	1.1
216.11298	3.8
227.09116	0.7
230.07124	0.8
230.09251	11.7
231.07780	3.5
231.12381	1.3
232.10797	4.7
242.09154	3.7
246.08842	0.9
255.13843	1.6
256.14136	2.5
257.10367	6.8
259.11899	87.0
260.09985	0.8
260.12485	0.7
273.08658	1.1
273.11511	0.6
273.14777	0.9
274.15268	1.3
277.12936	15.9
284.11450	6.2
295.15930	0.6
301.14139	3.1
302.12469	42.7
315.15814	2.0
316.16257	4.4
319.13968	8.4
324.30682	0.6
334.17368	1.2
349.15201	1.7
352.18423	1.3
361.16217	0.8
379.16077	8.4
388.70810	0.6
391.17151	0.7
403.16058	1.4
421.17374	10.7
428.15912	1.0
439.18243	23.1
445.18304	1.4
446.16736	1.6
463.19379	10.2
473.86578	0.6
481.20422	100.0
482.20407	2.1
525.22308	0.7
567.24084	66.9
568.24524	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	566.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03176	0.9
53.03936	2.1
55.01863	1.7
55.05510	3.8
57.03447	3.6
57.68357	0.4
59.04967	0.6
60.04519	0.5
61.19593	0.5
65.03936	1.1
67.05512	6.4
69.03429	3.4
69.07071	2.9
70.06589	6.2
70.87452	1.7
71.04989	2.2
72.08144	1.2
77.03895	0.5
79.05498	7.5
81.03416	12.8
81.07063	6.4
83.04966	2.4
83.08631	4.3
84.08147	1.1
85.02908	3.5
85.06525	0.7
86.09711	1.6
87.00829	0.6
89.04022	0.5
91.04956	0.9
91.05482	8.0
92.05788	0.9
93.07046	7.3
95.04967	5.2
95.08595	4.6
97.02891	2.1
97.06537	2.7
97.10170	2.9
99.04436	0.9
99.08144	0.7
103.05451	0.9
105.01898	0.7
105.03415	1.3
105.07039	5.3
107.04963	7.3
107.08592	4.0
108.08138	0.8
109.02863	2.5
109.06509	6.7
109.10140	3.1
111.04474	1.0
111.08064	1.3
115.07536	0.5
116.07150	0.7
117.07011	2.3
119.04963	4.1
119.08617	3.6
120.05255	1.1
120.08112	1.4
121.06503	6.7
121.10143	4.8
123.08045	1.6
123.11724	1.0
125.06019	0.7
125.09626	2.9
127.03922	2.4
129.07018	1.6
131.04936	1.2
131.08569	4.4
133.02800	0.7
133.06480	1.5
133.10124	2.1
134.06003	0.7
135.04477	0.8
135.08015	2.7
135.11694	1.1
136.07579	1.2
137.05949	3.1
137.09641	1.1
142.07707	0.5
143.08556	0.9
145.05028	0.6
145.06459	1.6
145.10146	1.5
146.05948	0.8
147.04413	3.8
147.08063	1.3
147.11690	2.5
148.04706	1.1
149.06003	1.0
149.09624	2.0
151.03905	0.9
153.01808	0.5
155.08533	0.7
157.10077	2.0
159.08080	0.8
159.11757	1.3
160.11040	0.6
161.06035	1.1
161.09569	0.9
163.03883	0.8
163.11209	1.3
167.07042	1.9
167.08287	0.6
169.10110	0.6
171.04469	0.8
171.08043	0.7
171.11746	0.8
173.06078	0.6
173.09592	0.7
173.13254	2.0
175.03935	4.5
175.07625	0.8
175.11191	1.8
176.04279	1.9
177.05406	1.2
178.04976	1.5
179.07037	1.2
181.04944	1.0
181.08641	0.6
185.09412	0.5
185.11676	0.8
189.05446	0.8
189.11232	1.7
191.10635	0.6
191.14316	1.7
193.04979	1.3
193.12251	2.4
201.05327	0.6
202.08772	0.7
205.08618	0.6
206.04544	0.8
207.04680	0.6
207.06497	8.8
208.06834	5.6
215.51222	0.5
218.08060	0.6
219.13766	8.1
224.10355	1.0
228.06563	1.9
229.07246	1.0
233.15356	1.1
234.23610	0.6
239.05898	0.7
240.06538	7.1
242.04489	7.2
242.11293	0.8
243.05093	1.2
248.09236	1.7
255.05232	0.9
256.06064	12.3
257.06848	11.1
258.07370	0.9
259.15469	6.9
260.05377	0.6
267.05295	1.3
267.15869	7.3
270.03952	3.9
271.04523	1.0
272.05588	11.5
273.14929	1.2
274.03882	0.5
274.07108	3.3
283.09656	1.0
284.05588	2.3
285.06302	11.8
286.06830	1.7
288.05029	10.7
289.05502	1.2
293.17514	5.5
302.06558	1.5
303.07364	11.9
304.07632	1.2
306.09604	1.2
318.09726	100.0
319.09988	7.9
319.13382	0.6
327.20001	0.6
332.07620	0.9
349.21545	1.0
367.22653	3.4
385.23761	5.8
403.24759	2.1
441.26047	1.1
451.26944	1.9
454.26971	0.6
459.27390	15.0
477.28503	17.3
478.28851	0.6
495.29459	2.9
522.16052	1.1
534.18768	5.1
535.18958	0.7
566.14716	10.4
566.21539	8.9
567.14630	1.3
567.22705	1.0
567.35175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
53.28658	0.4
55.01870	2.0
55.05508	1.8
57.03438	3.6
59.04998	2.8
61.02922	4.3
67.05497	1.7
69.03430	11.9
69.07063	4.5
69.86246	1.7
69.86662	0.9
70.06587	1.6
71.04996	2.4
73.02917	1.7
79.05494	2.1
81.03416	5.2
81.07049	5.1
83.04983	3.8
83.08590	1.2
84.08149	0.5
85.02905	48.3
85.06530	0.9
86.09681	0.5
86.95701	0.4
87.04464	7.3
91.03946	2.1
91.05472	3.0
93.07046	11.3
93.97870	0.4
95.04959	1.7
95.08620	6.1
95.95302	0.4
97.02306	0.8
97.02898	14.1
97.03519	0.9
97.06523	2.8
98.20766	0.8
99.04433	3.2
99.07581	0.4
101.06007	2.1
105.03395	0.7
105.07029	7.9
107.04941	0.5
107.08594	11.9
109.02877	5.6
109.06499	4.7
109.10146	1.8
110.07149	0.6
111.08064	2.9
113.05994	1.3
114.51052	0.4
115.03955	0.9
116.07069	0.8
117.05494	1.3
117.07024	0.7
119.04995	0.5
119.08580	8.3
120.08093	0.8
121.06545	1.0
121.10143	8.3
123.04434	0.8
123.08070	6.5
123.11714	0.8
125.09634	0.6
127.03922	12.0
127.07548	0.8
129.06995	0.5
131.08546	1.4
133.06505	1.0
133.10130	6.1
135.08118	1.0
135.11668	0.7
136.07529	0.4
137.05951	1.2
137.09604	2.6
139.11179	15.4
141.09068	0.7
143.08571	1.5
145.04955	16.6
145.10118	1.6
147.08046	1.8
147.11681	7.9
149.09599	3.1
151.07536	4.3
151.11179	12.9
156.09322	1.3
159.11664	2.0
161.09612	1.7
161.11134	0.5
161.13260	10.8
163.06020	7.5
163.11185	1.0
165.09096	1.6
165.12787	2.3
171.11676	3.8
174.10388	1.4
177.12703	2.9
178.04993	0.5
179.14313	1.4
189.12733	15.1
191.14265	0.6
193.19698	0.5
205.12050	0.4
206.04517	0.7
207.06525	0.7
207.13800	51.6
225.14851	100.0
226.15230	0.7
227.43637	0.4
243.15898	4.2
266.17419	0.5
271.05966	3.2
272.06384	3.6
283.06082	0.8
284.06500	1.1
287.30637	0.5
289.09219	0.8
301.11871	0.5
313.07138	1.1
314.07425	1.1
325.11374	3.8
333.17142	1.0
337.07278	0.4
351.18106	1.3
369.19125	5.2
387.20111	14.1
434.12042	0.8
491.61584	0.5
566.28040	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	566.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34180	1.2
53.60929	1.4
55.01863	3.7
55.05496	2.2
57.07066	1.6
67.05494	2.9
69.03411	1.4
70.06561	1.9
71.07970	2.5
75.00016	1.5
80.40746	1.1
81.03413	3.2
81.07057	1.8
81.90045	1.2
85.02894	5.5
85.06556	1.5
91.05459	2.5
97.03001	1.2
105.07019	1.8
107.04978	2.0
109.02933	1.5
109.10133	3.6
117.06976	1.4
123.11731	1.4
127.03866	1.3
131.04907	2.0
131.76839	1.3
133.02841	4.1
135.04431	4.7
145.06577	1.8
145.10121	2.8
147.04404	5.6
147.08014	3.3
151.03909	1.7
157.10028	1.7
159.04451	1.8
161.05959	1.2
167.60222	1.2
171.08072	4.4
173.05969	3.5
173.09619	23.8
184.99428	1.2
185.09634	8.9
187.11174	3.9
189.09097	68.5
190.06430	1.4
194.08195	3.6
195.79300	1.2
201.09097	29.6
201.10953	1.5
203.10617	2.9
204.06406	1.3
213.09064	13.0
215.10771	9.0
216.06509	1.4
219.10120	1.9
227.10669	2.5
227.14275	5.9
229.08385	1.5
229.12172	1.6
231.10112	13.2
233.11720	2.0
237.12737	3.1
240.11516	1.8
243.10110	11.1
249.06841	1.5
249.11238	3.2
255.10127	3.1
255.13806	45.0
261.11264	12.3
269.15283	2.1
273.14853	22.6
279.12289	4.4
291.11447	67.0
297.14978	6.1
300.15991	3.5
309.12488	15.5
315.15897	32.1
315.19360	2.6
316.16348	1.6
333.12622	3.3
351.09982	0.9
351.13541	66.8
369.14633	100.0
370.14719	2.7
498.98364	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
55.05509	4.9
56.05037	3.9
56.50984	1.7
60.04493	2.9
61.02917	2.9
67.05494	6.4
69.03436	11.5
69.07059	7.7
70.06593	21.1
71.01376	2.0
71.04986	4.7
71.52577	2.6
72.08146	4.5
74.54493	1.7
74.87124	1.9
79.05489	3.9
81.03448	4.0
81.07045	6.7
82.06581	2.3
83.04961	3.4
83.08592	3.5
84.04528	3.6
84.08131	6.0
85.02432	2.8
85.02902	28.4
85.06535	3.3
86.06052	3.4
86.09692	8.1
91.05468	8.7
93.07038	6.1
95.04987	2.4
95.08601	6.7
95.71922	1.8
97.02902	10.7
97.06520	3.0
98.06030	2.4
99.04440	2.3
105.07029	11.1
107.08583	13.8
108.08080	3.3
109.02889	4.9
109.06490	3.8
109.10140	7.2
110.07117	2.4
110.09653	5.2
111.08046	2.3
112.07610	3.6
116.07077	4.4
119.04916	4.5
119.08586	18.0
119.12265	1.8
120.08164	2.3
121.02842	2.5
121.06509	2.6
121.10182	4.4
121.74091	1.9
122.06064	1.9
123.08088	2.0
123.11707	2.9
125.09606	3.2
127.03905	8.9
128.07045	2.4
128.10721	3.8
129.10258	4.7
131.08559	7.5
133.06458	4.3
133.10112	3.3
134.09692	2.6
135.08044	3.0
135.11699	4.0
136.07578	5.0
136.11209	10.9
139.03908	2.0
145.04941	4.9
145.10094	7.9
147.04408	4.7
147.08035	2.9
147.11681	15.8
149.07010	1.9
149.13217	3.0
150.12746	5.1
151.07504	2.4
151.11177	5.2
152.14372	2.6
156.09253	3.1
159.07996	1.9
162.88310	1.8
163.14859	2.4
165.12628	2.5
166.15926	5.1
168.13841	4.8
171.11679	3.6
173.13185	2.5
175.03908	3.5
176.14362	5.0
177.12805	2.3
178.05052	3.3
189.12733	68.9
191.14267	6.6
194.15421	16.4
200.09161	2.0
203.10361	2.5
206.04475	3.9
207.04843	2.0
207.06517	12.5
207.13817	11.7
209.15334	10.5
224.16351	5.9
237.86395	1.9
238.42267	2.2
242.17505	100.0
243.17787	2.1
351.17862	2.4
360.12805	1.8
404.23093	2.4
546.92072	2.3
566.19006	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	566.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.2
54.36589	1.6
55.01865	6.2
55.05511	9.2
57.03418	3.3
57.07060	2.0
61.02939	2.7
67.05508	8.4
68.99788	3.2
69.03432	24.4
69.07055	5.4
70.06577	9.2
71.04993	5.8
71.53335	3.3
72.08160	3.2
73.02916	5.0
75.80688	1.6
77.03897	3.9
79.05481	5.8
80.05000	5.9
81.03424	23.8
81.07053	11.3
83.01322	1.6
83.04980	79.7
84.08144	4.7
85.02906	34.6
85.06541	2.8
86.09698	3.8
86.84929	1.7
87.00835	11.3
91.05470	11.3
92.05846	2.0
93.07034	7.7
95.04957	5.1
95.08594	6.7
97.02879	13.5
97.06472	3.9
97.10168	1.5
99.04451	9.9
105.01866	5.8
105.03385	5.4
105.07025	7.7
107.04943	8.9
107.08578	7.2
108.04485	12.2
108.08105	2.5
109.02881	19.5
109.06503	3.6
109.10136	6.3
111.08049	2.6
115.03871	1.9
118.06529	2.8
119.04963	3.3
119.08572	7.5
121.02893	2.5
121.06498	3.3
121.10136	6.6
123.04394	2.6
123.08062	4.3
125.09586	4.1
127.03923	24.6
129.01869	3.0
129.07004	1.9
130.06531	1.9
131.04895	3.4
131.08557	7.1
132.05614	2.1
133.02864	34.2
133.06497	2.6
133.10118	6.7
134.06030	4.8
135.04428	24.6
135.07985	2.4
135.11658	2.1
136.07581	1.9
137.05981	2.4
137.09621	3.7
139.07668	2.0
139.11194	2.2
145.02910	1.9
145.04962	7.4
145.06461	2.6
145.10156	2.4
146.05997	9.4
147.04344	9.6
147.06915	1.8
147.08063	4.2
147.11626	2.0
149.05980	4.7
149.09602	4.2
150.05464	2.5
151.03867	11.3
153.01811	2.9
155.08624	1.9
156.08003	1.8
157.08896	3.0
159.02892	7.1
159.08043	6.8
160.23978	2.2
161.05994	4.1
161.09618	5.7
162.05525	2.1
163.11169	2.8
164.07042	2.9
165.09108	2.0
167.07025	5.9
170.09633	2.2
171.08086	4.2
172.11208	44.1
173.09608	2.7
174.09286	1.8
175.03862	6.8
175.07495	5.6
177.05455	3.0
177.09099	11.6
178.05022	7.6
179.06978	1.9
181.08713	3.0
182.09569	1.9
183.06786	8.1
184.07422	2.8
185.09644	3.0
187.07527	3.8
188.10677	5.2
190.12277	1.9
191.07042	2.8
196.11345	2.9
198.09186	6.7
198.73634	1.9
200.10709	29.9
201.09232	2.0
201.11165	2.4
203.10672	10.2
207.06502	11.3
208.06926	3.0
209.08235	4.0
212.10684	2.9
213.03738	2.2
216.10208	28.8
218.11763	100.0
224.10681	2.1
226.12076	2.5
226.16029	2.5
227.14342	1.9
229.08673	2.3
231.04955	3.1
239.07753	2.0
246.11240	4.5
247.16933	4.6
251.08310	2.3
252.13708	1.9
253.09720	1.8
254.15512	4.6
255.13777	8.3
265.17953	27.0
270.14899	5.1
273.14862	84.6
274.15195	2.5
279.07330	2.1
281.09186	2.1
282.14822	3.8
283.18973	13.8
291.15906	19.5
295.10767	3.8
300.15939	37.2
301.19885	3.2
303.04550	3.9
317.06580	12.5
318.06854	21.0
318.13785	2.0
318.17014	50.1
347.12140	2.1
359.11160	2.5
368.09924	2.5
369.10782	12.6
400.12756	2.3
402.21689	2.3
464.15173	8.4
464.46381	2.0
534.18616	3.2
548.21088	9.4
566.21619	25.0
566.29535	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	566.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
65.03926	0.9
66.84402	0.4
67.05515	0.5
68.28998	0.3
69.03412	0.8
69.07072	5.3
71.53161	0.4
71.53522	0.4
72.00870	2.2
79.05499	0.6
81.03403	1.0
81.07046	1.6
85.02897	1.3
93.03417	0.9
95.08576	0.6
97.02853	0.5
98.70436	0.4
105.01839	0.5
109.02856	0.8
111.11701	1.3
121.02891	0.8
123.04427	15.3
123.11671	1.0
127.03918	1.3
131.01286	1.0
137.05957	1.0
139.03871	0.4
143.27695	0.5
149.02336	23.7
163.03923	2.0
164.04692	3.9
167.03406	41.8
168.03821	0.5
175.03941	0.5
176.03432	1.5
177.04221	4.6
177.05573	0.6
190.04993	1.6
191.07077	0.9
194.04491	100.0
195.04846	1.1
208.06047	8.2
217.08592	0.5
222.07449	0.4
236.09215	0.5
236.37744	0.5
250.10732	0.5
262.10727	1.6
273.14847	2.8
293.52939	0.4
318.17001	26.1
319.17358	0.7
566.30103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64297	0.4
55.01867	1.3
55.05511	2.6
57.03434	1.8
59.04975	0.6
60.04524	0.4
65.03944	1.2
66.18487	0.4
67.05504	4.2
69.03443	1.9
69.07063	1.4
70.06583	1.9
70.06918	0.3
71.04994	0.7
71.08684	0.9
79.05494	5.4
81.03413	8.0
81.03861	0.6
81.07063	3.7
82.06597	0.6
83.04974	1.4
83.08622	1.8
84.04496	0.5
84.08152	0.6
85.02904	1.1
85.06517	0.6
86.09722	0.6
91.05486	6.8
92.05794	1.0
93.05750	0.6
93.07043	4.2
94.06564	2.5
95.04967	3.7
95.08603	2.6
96.08115	0.5
97.02909	0.9
97.06548	1.5
97.10175	1.3
99.04527	0.5
103.05477	0.5
105.03375	0.5
105.07025	3.3
106.06556	0.8
107.04947	3.9
107.07344	0.5
107.08600	2.3
108.04482	0.6
108.08138	3.6
109.02885	0.9
109.06516	4.5
109.10152	2.1
110.06055	0.5
110.09710	0.6
111.08079	0.5
115.05476	0.5
117.05737	0.6
117.07020	1.4
118.06538	1.9
119.04945	3.8
119.08601	1.8
120.05264	1.2
120.08115	1.8
121.06503	2.8
121.10141	2.5
122.06053	1.8
122.09640	0.5
123.04496	0.5
123.08071	1.4
123.11732	0.9
124.07595	1.6
125.06010	0.5
125.09655	1.8
127.03926	0.9
128.07109	0.5
129.07014	1.0
130.06543	0.6
131.04929	0.5
131.07367	0.8
131.08586	2.0
132.08072	2.7
133.02803	0.8
133.06494	1.3
133.10141	1.3
134.06068	0.7
135.04451	0.8
135.08070	2.0
135.11682	0.9
136.03949	0.5
136.07576	6.7
137.06027	1.3
137.09679	0.5
138.09175	0.5
139.11151	1.0
144.08043	0.9
145.04994	0.7
145.06500	1.3
145.10144	1.2
146.06009	3.7
146.09636	0.5
147.04417	3.2
147.06834	0.7
147.08035	1.0
147.11716	0.9
148.04814	0.8
148.07585	0.7
149.09639	0.8
150.05505	2.6
150.09174	1.2
152.07121	1.4
154.04977	3.1
155.08495	0.5
157.08910	0.4
157.10168	1.2
158.06009	0.6
158.09718	0.5
159.06822	1.0
159.11705	0.5
160.03964	1.3
160.07518	2.8
161.05960	0.7
161.09668	0.6
162.09180	1.3
163.06158	0.5
163.11177	0.9
164.07059	2.5
164.10762	1.2
166.08615	3.0
167.07120	1.7
167.08508	0.5
168.07637	0.4
170.08453	0.7
171.11739	0.6
172.07596	1.9
173.13197	0.5
174.05527	0.9
174.09196	1.0
175.03920	4.7
175.07590	0.5
175.11191	0.9
176.04243	2.8
176.07167	1.3
177.05499	0.7
178.04988	1.1
178.08707	0.9
180.10201	1.8
181.04898	0.8
184.07565	0.5
185.04634	0.5
185.07114	1.3
186.05540	1.7
186.07840	0.8
187.06369	1.4
187.08760	0.8
188.07095	2.8
189.11311	0.5
190.05084	0.8
190.08698	0.7
191.14342	1.0
192.06609	1.7
193.12239	1.7
194.08170	1.0
196.07549	0.5
196.09770	1.3
197.11720	0.5
197.13365	0.7
198.07765	0.9
198.09369	0.7
198.12144	0.5
199.08664	2.4
200.07091	1.0
202.08670	3.4
204.06609	1.4
205.07318	0.8
206.08185	1.7
207.06522	11.2
208.06853	6.5
208.09799	0.6
209.10519	0.8
211.08652	0.9
212.07292	0.5
213.06636	1.6
213.10298	0.9
214.05054	0.7
215.08247	0.6
218.04539	1.5
218.08214	1.7
219.13779	4.0
220.09694	2.5
222.11366	0.7
225.06584	0.9
226.07423	1.1
227.08099	4.3
228.06667	0.7
228.08952	0.5
229.07394	2.6
229.09569	0.7
230.08228	0.8
231.07663	1.4
232.06110	1.1
233.06924	1.2
234.07565	2.9
239.08183	1.0
240.09001	0.7
241.06119	0.5
241.09836	2.1
242.04590	1.0
243.07660	1.2
246.07687	1.2
247.08614	0.5
248.09187	16.7
249.09933	2.2
250.07343	0.5
250.10828	1.1
251.08305	1.0
253.06169	0.7
255.07689	1.4
255.13799	0.8
256.06140	0.5
257.06836	8.5
257.09222	0.9
259.10922	2.0
259.15506	3.2
264.09100	0.5
265.06207	0.8
267.07712	2.2
267.15985	3.1
269.09277	1.5
271.05814	2.5
272.08084	1.8
273.08868	0.9
273.12167	0.7
273.14926	0.8
274.07050	2.0
275.07968	1.3
275.13965	0.7
276.08740	3.1
277.05917	1.2
278.06598	6.3
279.07617	3.5
280.08899	0.6
280.11816	2.4
281.09189	1.3
285.06274	9.1
287.10303	1.8
288.05096	1.3
292.08273	0.8
293.09003	3.1
293.17520	3.0
295.07285	0.6
300.11304	0.5
300.16180	0.5
301.11819	4.3
302.06561	1.1
303.07349	2.0
303.10471	2.1
305.11584	0.9
306.09686	14.1
307.07047	0.9
309.08746	0.9
318.09714	39.1
319.10071	0.8
319.13345	0.6
321.08813	0.5
323.10287	0.7
325.12146	0.6
327.13611	0.7
332.13583	0.5
338.09131	0.9
339.09671	0.7
341.11710	0.5
342.08606	0.4
342.12476	0.9
344.14294	0.7
349.22009	0.5
352.11005	0.6
353.11966	0.6
354.08514	0.5
354.12582	1.1
355.13043	0.9
356.10162	0.7
356.14185	0.9
358.15814	0.6
366.12521	0.9
367.10504	0.9
367.22787	1.7
368.10193	1.2
368.14111	1.3
369.11438	1.7
370.11731	1.9
371.12823	1.1
372.13452	1.5
381.10773	1.9
382.11972	1.5
383.12646	1.1
384.13513	1.8
385.23651	3.0
386.15283	0.9
396.13715	2.8
397.14560	0.8
398.11407	1.3
400.12967	1.6
402.14325	0.9
403.13953	0.5
403.24942	1.6
404.16815	0.5
411.12430	0.5
412.13016	0.8
413.13797	0.9
414.14719	2.1
418.13901	0.8
424.12866	0.6
428.12363	1.6
430.13989	0.7
432.15463	1.0
440.12415	0.8
441.13123	0.8
441.26212	0.5
442.14099	3.0
444.15744	1.2
446.12933	0.9
451.26941	0.6
456.16229	2.5
457.12646	1.0
458.12964	0.7
459.27328	7.5
459.33109	0.7
469.12567	0.9
472.15433	0.8
474.16898	3.2
477.28525	8.9
484.15262	1.6
488.18274	1.1
495.29456	1.6
502.16071	7.3
506.19254	2.8
516.17676	1.4
519.16272	2.1
522.16333	1.1
534.18732	43.1
535.19061	1.1
548.20074	1.2
566.21417	100.0
567.21912	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	566.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.2
63.32050	0.2
69.03396	0.9
69.28482	1.4
69.28909	0.5
70.06572	0.4
81.03385	0.8
81.07034	0.4
85.02859	0.7
87.00800	0.3
91.05453	0.3
91.90821	0.2
98.20775	0.3
109.02837	0.6
121.10159	0.4
127.03873	0.7
175.03947	0.2
175.95526	0.2
177.54474	0.2
196.91777	0.2
198.23398	0.2
201.07800	0.3
207.06564	0.3
214.04962	0.5
228.06538	1.5
229.07262	1.0
239.03598	0.4
239.05708	1.7
240.06560	8.1
242.04504	7.4
243.05191	0.5
245.03320	0.3
255.05244	0.7
256.06055	13.0
257.06824	15.1
258.07513	0.3
259.04742	0.8
260.05469	1.5
267.05200	1.8
268.05557	0.2
269.06732	0.3
270.03995	4.4
271.04633	1.1
272.05533	11.3
273.05930	0.3
273.14966	0.5
274.07071	3.9
284.05518	2.2
285.06317	12.1
286.06992	1.1
287.07941	0.4
288.02063	0.4
288.05060	6.3
288.08261	0.4
289.05627	0.4
302.06583	1.6
303.07364	15.0
316.08298	0.4
318.09720	100.0
319.09988	1.9
360.10770	0.2
480.15112	0.7
522.16089	4.1
566.15021	17.3
567.15637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68246	9.3
53.03936	11.9
55.05508	38.7
57.07082	18.6
58.47254	8.4
61.24922	10.3
67.05505	59.5
69.03414	11.3
69.07081	23.7
71.08635	13.9
71.52545	8.8
71.53040	11.9
75.31067	9.5
79.05499	54.4
81.03423	24.8
81.07046	58.6
83.04974	9.0
83.08621	10.5
85.06591	8.8
91.05478	56.7
92.90688	9.9
93.07043	100.0
95.04966	48.6
95.08612	90.2
97.70868	9.9
105.07049	78.0
107.04939	9.5
107.08584	81.9
109.06565	12.1
109.10168	58.8
117.07050	20.6
119.08587	90.0
121.10146	63.2
123.04425	27.2
123.08073	9.1
123.11713	28.0
129.06975	19.4
131.08580	33.8
133.06625	8.7
133.10132	63.7
135.08159	10.2
135.11690	44.6
137.13269	17.8
143.08566	33.5
145.10132	67.2
147.08026	16.2
147.11700	32.8
149.09689	14.7
149.13277	17.4
149.87228	8.6
154.02867	9.8
155.08511	10.5
157.10147	33.2
159.11691	52.2
160.88202	10.3
161.09656	19.1
161.13220	12.8
163.11258	15.2
163.14841	15.4
168.09334	10.2
169.10139	29.8
171.11705	33.3
173.09602	32.0
173.13300	31.0
175.14868	20.7
177.12711	9.2
179.08597	8.9
180.62183	12.0
183.11623	11.1
185.13312	18.8
187.14839	13.5
189.16434	29.4
195.11760	14.5
199.14867	21.4
201.16460	71.3
203.14342	9.1
203.18100	10.5
209.13318	20.1
213.16451	17.2
217.15944	10.1
221.13304	11.5
223.14778	11.4
227.17940	11.2
229.19228	10.6
235.13217	49.5
257.22714	12.8
295.24219	24.9
309.16962	18.8
313.24979	30.4
313.27740	28.8
363.26883	86.6
374.22784	9.9
381.27875	95.2
512.97052	11.4
547.39441	32.2
565.40125	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67920	0.8
50.75815	0.7
53.71707	0.7
54.80954	0.9
57.03397	3.1
61.02884	0.9
69.03413	1.1
69.56470	3.0
69.56889	2.0
69.85938	0.6
73.02912	5.9
73.36238	0.7
81.03366	1.4
85.02887	1.7
109.02839	1.0
119.04894	2.2
121.02032	0.9
121.02859	10.9
145.02834	1.3
163.03888	1.7
165.01807	5.0
167.03351	1.2
175.03816	0.8
177.01770	1.2
183.02831	2.1
189.01831	0.8
191.03424	1.0
195.02917	1.3
213.05392	1.7
215.03299	1.0
217.04950	2.7
243.02924	1.0
243.06462	1.7
255.06432	2.4
256.07275	3.7
259.05978	1.5
261.03955	1.8
267.06583	4.9
270.05212	1.2
271.06021	6.8
281.08084	3.0
283.05997	72.4
284.06772	28.5
284.09991	1.0
285.07443	2.6
295.06012	13.6
295.09399	1.4
297.04205	1.3
297.07565	11.1
305.08234	1.1
307.06052	1.2
308.06784	2.6
309.04056	1.2
309.07562	12.1
311.05469	1.6
313.07043	100.0
314.07425	1.3
317.06561	1.1
321.07648	1.8
323.05579	1.8
323.09122	17.4
325.07028	2.5
327.08621	1.4
328.12228	0.7
333.07501	1.3
337.07037	29.6
343.08002	4.1
349.07114	4.3
351.08658	5.2
355.08057	1.4
361.07077	3.5
367.08136	16.7
379.08139	11.5
388.77405	0.8
397.09216	21.5
415.10217	29.1
433.11298	69.0
434.11768	1.4
445.11356	3.5
555.19073	0.9
565.15472	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1549
Annotation	Isovitexin 7-O-xyloside
Peak:m/z	Relative Intensity
50.01879	0.6
53.46962	0.7
57.03439	4.2
57.24352	0.7
61.02898	1.4
68.99773	0.9
69.03407	0.9
69.72292	3.8
70.06589	0.6
73.02926	5.9
75.32723	0.6
77.01999	0.7
81.03411	0.8
85.02866	2.3
91.32635	0.6
97.02870	1.2
98.20832	1.0
105.03327	1.1
109.02837	0.9
119.04939	1.8
121.02139	0.9
121.02870	9.2
140.38591	0.8
145.02788	2.1
149.02319	0.9
149.72977	0.7
153.01831	0.8
163.03935	1.8
165.01843	4.7
165.05460	0.9
167.03351	1.4
177.01822	1.2
177.05338	0.9
181.80299	0.8
183.02829	2.0
187.03789	0.9
195.02864	1.6
205.04901	1.0
209.36893	0.9
213.05495	1.6
217.04970	2.0
233.04575	0.8
243.02904	2.1
243.06473	2.0
255.06509	2.6
256.07339	3.6
259.05945	1.6
261.03922	1.4
267.06580	3.5
270.05185	1.5
271.05957	7.3
279.06693	0.9
281.08102	3.2
283.06000	75.4
284.06790	26.5
285.07489	2.0
295.06067	12.4
295.09436	1.5
297.07553	8.3
305.08044	1.7
307.06033	1.2
308.06775	3.2
309.07523	13.6
311.05502	2.4
311.08972	1.0
313.07053	100.0
314.07217	1.5
317.06696	1.4
321.07550	1.4
323.05533	1.8
323.09067	14.2
325.07013	1.7
327.08926	0.8
333.07513	1.8
337.07040	28.6
343.08276	3.6
349.07144	6.1
351.08566	4.3
355.08173	1.5
361.07089	3.1
367.08163	17.1
379.08078	12.5
397.09216	22.5
415.10211	31.7
433.11307	69.5
434.11899	1.3
445.11536	2.5
565.15521	36.9
566.16083	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1185
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03950	2.0
53.69920	0.2
55.01874	1.8
57.03443	1.3
61.02924	1.1
65.03933	0.2
68.99792	1.1
69.03427	6.8
69.30009	0.9
69.30434	0.5
70.06575	0.4
71.01354	0.2
71.04985	0.8
71.91842	0.1
73.02920	1.8
79.05487	0.2
81.03417	8.5
83.01324	0.3
83.05001	0.2
84.08141	0.1
85.02903	12.1
87.00822	5.8
87.04427	0.2
91.03953	0.5
91.05481	0.2
92.02630	1.0
93.03397	0.6
95.08575	0.2
97.02890	4.3
97.03518	0.2
99.04446	2.6
100.44862	0.1
101.02394	0.2
105.01865	2.9
109.02877	7.5
109.65411	0.1
111.00773	0.2
112.50115	0.1
115.03936	0.2
117.01860	1.2
117.07068	0.2
121.02869	1.1
121.10123	0.2
126.03143	0.2
127.03911	9.6
129.01822	1.0
137.02335	0.2
137.06026	0.2
139.03889	0.8
145.03908	0.3
145.04965	3.0
145.10075	0.2
147.02888	0.6
151.03888	0.6
153.00572	0.3
153.01820	6.0
159.02884	4.4
163.03937	0.3
165.01863	0.6
175.03926	0.3
177.05444	0.3
179.03372	0.7
187.03923	0.2
197.04482	0.3
201.05470	0.6
203.03444	0.4
207.06512	0.4
213.03990	0.4
217.04919	0.5
218.05708	0.5
228.04121	1.2
229.04958	2.7
231.02890	0.2
231.04903	1.3
245.04512	1.0
246.05186	1.6
256.03690	0.3
257.04437	2.3
260.03156	0.2
261.07486	0.3
271.06079	0.3
273.03949	1.5
274.04715	3.7
283.06006	0.8
284.03220	0.4
284.06772	0.5
285.03906	4.0
288.06177	0.2
297.07520	0.2
299.09134	0.2
300.07709	0.2
301.03641	0.2
302.04205	11.0
303.04749	0.2
313.07056	1.3
317.06543	100.0
318.06906	2.0
332.50266	0.2
337.06989	0.3
341.06824	0.2
359.07672	0.4
397.09225	0.2
415.10077	0.2
433.11481	0.9
514.23572	0.2
565.14990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.8
55.01860	10.4
55.05508	27.1
57.03434	21.5
61.02908	7.7
66.00895	5.5
67.05183	6.1
67.05511	74.2
69.03416	17.9
69.07070	33.6
70.06596	27.8
71.04987	10.8
71.53517	7.1
73.80985	5.4
76.37174	5.2
77.66160	4.7
79.05493	45.0
81.03417	36.5
81.07054	80.7
83.04976	14.1
83.08600	17.6
85.02885	20.5
86.09681	9.0
91.03969	6.1
91.05485	46.0
93.07046	69.3
95.04958	18.2
95.08608	37.1
97.02869	8.5
97.06506	16.8
97.10158	9.0
98.09808	6.3
105.03349	9.5
105.07027	36.5
107.04960	14.0
107.08565	29.7
107.52755	5.7
109.02882	11.3
109.06480	10.8
109.10149	23.9
111.04404	8.3
111.08078	10.7
117.07007	22.3
119.08604	30.3
121.10127	24.4
125.09628	11.7
127.03933	9.2
131.08542	17.9
133.10110	36.2
135.11668	20.8
136.06123	6.5
137.09637	6.3
140.46304	5.6
143.08627	10.5
145.10127	17.5
147.11678	8.6
149.09630	9.6
149.13277	15.6
152.63577	6.5
157.10115	9.2
159.11687	21.7
161.13263	5.8
163.11191	18.1
167.06982	7.0
175.03912	11.4
177.12721	28.4
179.14308	7.9
181.12303	6.5
187.14830	5.9
192.02917	5.6
193.12181	12.7
193.41728	5.2
195.13710	11.7
207.06537	6.3
251.16432	8.3
255.15990	54.9
257.19061	7.4
269.17499	100.0
275.20053	22.5
303.12390	5.8
316.15518	15.3
349.23782	38.9
367.24777	16.4
383.60666	5.6
400.42755	5.6
537.54944	5.6
564.36133	32.0
565.20044	6.6
565.28558	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	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.8
53.46453	2.7
55.01862	11.5
55.05508	21.9
55.70648	2.8
57.03443	29.8
57.07076	3.3
61.02934	5.7
62.06781	3.3
67.05180	4.9
67.05508	66.8
68.47879	2.8
69.03423	10.3
69.07074	28.7
70.06593	14.4
70.28084	10.0
71.01379	3.4
71.05000	8.0
73.02930	3.4
79.05493	59.9
81.03420	29.6
81.07055	78.3
83.04987	18.3
83.08612	19.3
84.08151	5.1
85.02912	20.1
85.06534	6.0
91.05490	45.8
93.07046	74.8
95.04987	18.1
95.08615	41.9
97.02896	10.5
97.06538	29.3
97.10177	11.4
99.04443	4.3
99.08080	5.1
99.17281	3.0
105.03394	3.6
105.07036	32.6
107.04964	11.3
107.08591	41.7
109.02877	8.0
109.06512	7.3
109.10171	22.7
111.08083	7.6
112.95095	2.7
117.07030	18.5
117.07729	3.5
119.08589	26.4
121.02847	3.3
121.06496	6.4
121.10159	23.6
123.08083	7.0
123.11709	5.1
127.03931	7.6
129.06993	6.7
131.04926	2.9
131.08559	21.6
133.10139	25.6
135.08017	4.6
135.11703	23.9
137.05960	6.0
137.09554	4.2
139.11182	3.1
145.10133	19.7
147.11694	14.9
149.09598	10.9
149.13263	22.0
151.11208	5.0
155.08510	4.0
157.10110	10.1
159.11726	28.8
161.13214	6.5
163.11160	11.5
167.07057	4.6
171.11696	5.0
173.13300	11.2
175.03929	5.5
175.11205	4.7
177.12746	24.5
179.14297	5.9
181.12280	8.7
193.12306	5.6
195.13782	9.3
227.12868	7.3
229.14337	3.0
239.17839	5.7
247.20454	3.8
251.16470	4.0
255.15909	48.4
257.19000	10.8
267.15921	8.2
269.17468	100.0
275.20068	32.9
281.24789	4.7
283.15314	3.7
301.16367	3.8
349.23727	66.8
354.08646	3.0
367.24759	18.1
389.18182	3.1
511.28619	5.0
564.34802	7.9
565.19574	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	564.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80419	6.3
53.03939	12.7
55.01865	15.6
55.05495	32.0
57.03429	23.8
64.80147	6.5
67.05505	87.4
69.03410	19.5
69.07074	44.8
69.45964	52.9
70.06579	27.6
71.04980	14.2
79.05495	68.0
81.03415	46.0
81.07063	93.3
83.04969	16.5
83.08604	21.3
85.00417	5.7
85.02895	28.3
85.06547	12.3
87.28835	7.0
91.05482	57.8
93.07043	60.4
95.04955	22.4
95.08602	48.3
97.02892	12.2
97.06534	18.7
97.10158	10.9
99.08107	8.3
105.03401	11.9
105.07038	52.7
107.04960	11.5
107.08588	58.2
109.02879	12.6
109.06473	16.4
109.10146	25.3
111.08070	13.5
117.07006	20.8
119.08569	31.5
121.06502	7.4
121.10136	29.5
123.11730	11.1
125.09526	8.6
127.03934	10.2
129.07062	8.1
131.08559	21.7
133.10133	17.7
134.06013	13.0
135.11685	23.3
137.09669	9.2
143.08566	8.1
145.10167	20.5
147.11676	14.3
149.09634	16.8
149.13266	25.4
153.12794	8.2
159.11681	34.7
163.11229	11.3
165.12808	8.1
175.03877	14.9
177.12746	28.4
179.14262	9.0
181.12178	9.2
187.07458	9.8
193.12233	11.7
197.11626	8.1
197.13400	8.5
211.13246	11.0
215.10686	9.9
229.14345	12.9
255.15987	35.5
267.15973	11.7
269.17474	100.0
275.20062	16.5
285.16989	8.4
299.05902	7.1
303.12344	9.9
317.06766	10.2
341.17514	7.7
349.23788	36.5
367.24789	16.7
417.82800	8.2
543.23260	7.2
564.18286	7.7
564.35388	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	564.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.6
55.01876	8.9
55.05502	18.6
59.94511	5.6
67.05512	39.3
67.50904	5.8
69.03429	21.5
69.07063	28.4
70.06592	21.5
71.52633	9.3
72.00867	44.0
79.05492	29.1
81.03407	32.6
81.07054	41.3
83.04998	7.9
83.08636	9.7
85.02898	36.2
85.06532	7.5
85.15020	5.8
86.09699	11.4
87.00822	10.8
89.96465	5.6
91.05483	41.8
93.07035	34.0
93.17561	6.2
95.04978	21.3
95.08615	51.0
97.02884	13.5
97.06528	8.8
103.05498	7.3
105.01825	8.2
105.03390	8.8
105.07049	30.1
107.04987	17.7
107.08615	35.8
109.02886	20.8
109.06506	11.6
109.10154	46.3
119.04951	6.8
119.08596	23.0
121.06480	7.7
121.10165	24.1
123.04431	7.3
123.11702	7.5
125.09588	8.3
127.03904	17.5
131.04930	11.9
131.08559	10.2
133.02846	19.3
133.06517	13.0
133.10161	14.4
135.04424	37.5
137.09607	11.6
145.04984	8.1
145.06517	11.1
145.10086	8.2
147.04439	18.0
147.11685	13.6
151.03859	16.2
151.07503	7.1
156.92717	6.4
157.10139	7.3
159.02951	7.1
159.04393	11.2
159.08044	9.2
161.05951	9.0
165.09102	39.6
166.09479	13.4
167.03416	23.3
167.07117	13.5
169.06531	10.8
170.05919	6.4
170.07301	16.1
171.08173	7.2
173.06055	7.2
175.03963	8.7
175.76395	7.7
177.05528	7.4
178.04996	62.2
183.08130	7.3
184.07463	9.4
185.06056	18.2
190.04999	15.8
194.04544	20.9
196.36601	6.2
197.06033	13.5
202.04973	44.8
204.06517	10.8
207.06523	9.5
211.07443	6.9
211.11343	11.4
216.06636	38.2
218.08231	6.3
225.12688	12.0
230.08075	42.2
231.08585	7.0
242.08072	33.1
253.12294	60.0
267.15973	13.0
280.13177	8.5
298.14377	100.0
301.06274	12.3
316.08243	52.8
316.15479	9.0
317.09888	9.1
340.30533	6.9
384.01544	8.5
402.14944	8.1
475.26987	10.8
493.27890	10.4
564.25122	8.1
564.35077	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	563.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83893	4.7
55.05504	18.7
57.03416	5.9
57.07071	19.6
57.07346	3.5
59.04976	5.3
67.05520	27.2
69.03438	22.9
69.07066	18.6
69.74654	7.4
69.75051	26.8
70.06565	7.9
71.01357	3.9
71.05000	7.2
71.48871	3.7
72.47935	4.2
73.06550	6.9
79.05484	25.0
81.03400	8.0
81.07066	60.2
83.04967	12.1
83.08616	9.4
85.02943	5.4
85.06536	10.8
86.09737	4.2
91.05478	31.3
91.78236	4.5
93.07049	44.2
95.04987	11.4
95.08609	44.2
97.06502	7.7
97.10173	4.6
98.20852	5.9
105.07034	57.6
107.08588	50.2
109.06534	16.4
109.10171	26.7
111.08091	10.6
117.07011	11.5
119.08591	54.0
121.06542	5.4
121.10171	34.7
123.08070	17.8
125.09676	4.1
127.07548	9.1
128.06183	5.6
129.07024	10.2
130.04903	5.9
131.08568	49.9
131.56262	4.1
133.10146	50.5
135.08104	8.5
135.11708	13.3
137.09637	7.6
137.13202	5.1
141.07034	6.1
142.07797	7.6
143.08540	35.0
144.23181	4.6
145.08560	7.5
145.10130	97.8
147.08040	6.2
147.11726	61.2
149.09605	5.0
149.13261	11.5
151.11165	16.7
153.09210	5.0
155.08575	20.2
156.09334	6.3
157.10120	32.0
159.11728	32.0
161.09605	5.6
161.13220	22.8
163.11229	8.3
163.14888	5.4
167.08609	6.8
169.10123	26.8
171.11700	34.3
173.13304	30.2
175.11172	9.4
177.12820	7.0
179.08614	4.9
181.10126	12.4
183.11655	21.8
185.13309	21.5
187.14862	17.1
189.12755	21.3
189.16595	5.2
193.10188	10.0
193.12190	3.8
195.11690	26.0
197.13300	27.9
198.13971	4.9
199.14857	22.8
203.14409	11.6
207.11729	10.1
209.13269	15.1
211.14836	16.7
213.16415	11.7
215.14246	5.7
221.13350	13.4
223.14780	26.2
225.16438	9.7
227.14275	7.0
229.15994	5.8
235.14853	6.4
237.16417	32.9
239.14426	5.4
239.17868	15.4
241.19652	11.0
249.16420	19.3
251.17998	8.3
265.19748	10.2
267.17517	5.8
267.21115	7.8
277.19467	7.3
279.21152	4.9
283.20596	7.8
293.22656	10.3
309.22110	15.8
311.23697	21.5
321.22354	6.9
325.25259	7.3
327.23190	6.7
335.23651	16.2
337.10751	5.2
337.17828	5.0
339.23221	15.0
348.26157	15.5
353.24701	24.7
357.24301	22.9
365.28372	6.3
366.27338	6.4
368.54868	4.5
371.25687	7.9
381.27637	5.2
385.27356	10.6
389.28247	5.9
395.25562	9.3
399.28964	100.0
401.26709	24.6
402.95386	4.6
407.29480	12.5
413.26633	6.5
422.29706	24.8
425.30453	22.9
443.31573	53.1
449.30756	6.2
467.31641	12.4
485.32614	19.0
503.33682	83.4
504.33926	5.5
563.30347	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	563.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.9
55.01874	12.5
55.05495	7.0
56.05028	2.2
57.03431	3.8
57.07063	2.1
67.01825	1.8
67.05500	6.1
68.99785	2.8
69.03083	2.9
69.03430	44.1
69.07045	5.6
70.06590	14.2
71.04993	10.3
71.53371	2.8
71.53729	2.0
71.54087	1.8
72.08141	2.6
74.06086	2.1
79.05491	3.2
81.03413	35.0
81.07082	2.4
82.06568	2.9
83.04986	3.0
84.08133	7.6
85.02900	25.4
85.06528	7.7
86.09708	4.8
87.00806	6.1
88.12170	1.8
89.53186	2.0
91.05482	9.2
93.07037	3.8
95.04956	7.9
95.08591	2.7
97.02882	11.9
99.04443	19.1
105.03391	5.6
105.07015	5.4
107.04930	8.2
107.08609	4.9
109.02870	18.8
109.06515	3.3
109.10097	2.5
110.07162	2.5
111.04443	5.4
112.07582	2.6
115.03958	2.5
117.07022	2.9
119.04946	5.6
119.08531	4.1
120.08102	3.2
121.02859	6.6
121.06515	3.4
121.10160	2.2
123.04424	3.6
127.03918	22.3
128.06216	2.8
128.07062	10.5
131.08580	3.0
133.06470	3.3
133.10118	2.8
135.04393	21.0
135.08069	2.6
136.07504	2.4
142.07776	2.3
143.08539	6.5
145.04991	4.6
145.06450	2.9
145.10100	7.0
147.04376	15.1
147.07997	5.3
149.05948	3.6
151.03847	2.1
151.06093	1.9
155.08569	2.9
157.10120	3.1
159.03110	2.2
159.04433	7.4
159.08116	4.2
159.11771	2.0
161.05956	6.4
161.09615	4.0
162.09122	2.1
163.03929	4.4
163.07443	2.9
165.01863	7.0
167.07057	3.3
169.10141	2.9
171.08038	7.0
172.08786	2.7
173.05954	7.4
173.09607	11.1
175.03949	4.7
175.07484	4.2
177.01866	3.3
177.05476	9.2
183.02884	5.2
183.08070	3.5
185.09653	11.2
187.06039	2.9
187.07542	18.5
187.11150	6.9
189.05434	6.4
189.09084	20.2
191.03362	7.4
191.14374	1.9
195.02904	4.0
195.07912	3.0
197.09662	3.4
199.07530	4.8
199.11128	3.3
200.08330	3.9
201.05400	6.9
201.07275	3.1
201.09103	45.8
203.03387	4.6
203.10634	5.2
205.08554	4.5
207.06467	8.9
207.10078	3.4
211.07533	4.6
212.08298	2.2
213.03874	9.4
213.05791	2.5
213.09097	31.7
213.12569	2.4
215.07112	2.6
215.10640	17.7
217.04924	4.5
217.08568	3.7
219.02872	19.1
219.10069	4.2
225.09030	5.4
227.10709	12.1
227.14288	8.6
229.08569	7.1
231.04958	8.2
231.10143	13.5
233.11600	2.4
237.12689	6.1
239.07060	3.3
239.10793	2.1
240.11523	10.8
241.08742	2.8
241.12210	2.2
243.10173	33.0
245.04414	10.0
245.11670	6.5
247.09793	9.9
249.11217	3.9
251.10802	2.3
251.14268	3.3
253.12363	2.8
255.06485	3.3
255.10330	10.3
255.13809	100.0
257.08044	4.2
257.15265	4.4
259.09692	3.0
261.04001	3.4
261.11234	55.9
263.05487	17.3
265.08878	2.1
267.10141	3.7
267.13693	2.4
269.11688	2.2
269.15393	7.4
271.13153	2.9
273.07776	3.9
273.11493	2.7
273.14841	47.3
275.09222	2.8
281.06439	3.9
281.11661	4.2
285.07526	4.4
285.14771	2.6
295.13269	2.7
297.07672	7.0
297.11536	2.7
297.14801	40.0
299.13034	2.6
299.16422	5.4
313.14313	5.4
315.15891	93.1
317.17310	3.9
321.10904	2.6
327.15894	3.3
329.06573	8.7
331.15442	4.3
333.17032	25.5
334.28723	2.4
337.10556	2.6
337.14517	2.5
339.08560	11.8
339.15833	2.6
345.16928	2.9
357.16901	3.4
359.14667	2.3
365.10318	5.6
375.76364	2.5
383.11087	12.6
401.12384	13.1
407.09543	2.1
423.18143	10.5
441.18930	11.6
459.19986	15.0
477.21106	2.5
485.17990	2.7
501.21198	3.4
518.74420	2.2
519.21991	5.4
527.19385	9.4
545.20349	22.0
563.21313	45.3
563.30103	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	563.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53048	1.7
53.03942	5.2
55.01883	10.1
55.05502	4.3
57.03432	5.8
61.02929	6.1
64.89842	1.7
65.03969	2.3
67.05499	7.8
68.99795	7.6
69.03429	25.1
69.07068	7.3
70.06601	4.7
70.28928	4.9
70.29332	4.2
71.01345	4.0
71.05003	7.7
73.02905	2.5
79.05486	5.7
81.03420	25.6
81.07058	6.8
83.04965	4.1
85.02907	33.8
85.06535	3.8
86.06065	21.5
87.00833	13.2
91.05474	11.2
93.07062	7.4
94.16142	2.0
95.04983	4.7
95.08605	8.2
97.02872	12.7
97.06551	3.0
99.04473	7.0
105.01869	7.3
105.03389	5.6
105.07027	9.2
107.04987	4.0
107.08608	6.7
109.02209	3.3
109.02892	23.2
109.06586	2.4
109.10165	4.4
111.04433	2.8
113.02361	4.0
117.07030	4.6
119.04926	4.4
119.08615	5.8
121.02900	2.1
121.06486	2.7
121.10130	3.8
123.08067	3.4
125.05950	1.8
127.03928	40.0
128.06253	2.9
129.01849	6.1
129.07005	3.9
131.08615	3.5
133.06502	3.8
133.10184	4.0
135.04437	8.3
135.08046	4.1
135.11745	2.2
137.02351	2.1
137.05984	3.4
141.06984	2.6
143.08554	4.3
145.04948	7.9
145.06514	3.4
145.10159	5.5
147.04459	5.8
147.08084	3.3
149.05977	3.6
151.03929	5.0
155.08583	3.0
157.06506	2.4
157.10159	6.1
159.02902	5.8
159.04495	3.2
159.08049	3.3
159.11649	2.5
161.06116	2.3
163.07607	2.4
165.09105	3.6
167.03391	2.6
167.07056	4.3
167.08528	2.3
171.08047	6.3
171.11644	2.9
173.05986	5.1
173.09676	2.8
175.03943	19.2
175.07469	4.3
177.05516	5.7
177.09125	2.5
183.08003	2.7
185.09637	9.9
187.07597	6.9
189.03900	2.5
189.05443	2.5
189.09117	9.7
191.07011	2.7
193.10190	3.8
195.08192	3.7
195.11848	2.6
197.09550	3.7
198.06853	2.7
199.07533	6.9
199.11234	6.7
201.05510	4.1
201.09128	18.2
207.06561	9.0
208.06851	2.6
209.09659	3.7
211.07550	8.7
211.11211	3.3
212.08354	4.6
213.05580	5.5
213.09120	36.9
215.10670	6.6
217.08688	3.7
223.07697	3.9
223.11191	4.2
225.05293	2.7
225.09085	9.4
226.09814	3.2
227.07079	2.7
227.10744	17.6
227.14404	13.1
229.08606	9.1
231.04913	5.5
231.10187	4.0
237.09077	5.7
237.12694	9.7
239.07095	6.2
239.10721	4.6
240.11511	10.3
241.08580	4.9
241.12373	6.1
243.10263	9.5
243.13580	2.8
245.11790	4.1
247.09676	3.1
249.09074	2.2
251.07021	2.1
251.10681	6.6
253.08528	11.5
253.12296	8.1
255.06544	5.1
255.10220	19.3
255.13818	100.0
261.11295	6.5
265.08624	3.2
265.12094	2.5
267.10321	9.5
267.13812	8.8
269.11771	6.4
269.15369	12.6
271.09763	4.9
273.15060	2.4
277.12231	3.5
279.10168	7.7
279.13770	6.1
281.08243	3.2
281.11670	4.7
283.09467	3.9
285.11337	6.4
285.14859	7.1
286.04681	4.1
287.05609	4.4
287.16263	2.8
289.10626	5.0
293.11954	4.5
293.15115	3.1
295.09973	4.4
295.13358	8.1
297.11929	15.6
297.14908	31.8
299.12747	2.6
300.18750	2.3
307.09595	2.4
309.14734	5.1
311.12964	3.5
311.16422	2.6
313.14325	13.6
314.04214	7.6
315.08505	6.1
315.12643	3.1
315.15930	63.0
321.11383	3.5
321.15060	6.7
325.10861	4.4
327.15921	9.5
329.06558	27.3
329.13971	3.0
331.15347	3.1
335.16400	4.1
337.14456	4.0
339.12146	5.2
339.15884	15.6
345.17343	10.2
353.17636	4.0
355.11508	3.0
355.15393	5.0
357.13269	3.7
357.16995	13.2
363.16074	6.3
367.11810	3.2
373.16431	7.0
381.17151	11.8
383.11041	2.8
395.18182	2.8
399.18289	10.6
401.12549	15.3
405.17111	6.0
417.19052	22.9
423.17929	16.2
441.19214	22.5
459.20197	2.5
489.13922	4.5
527.19189	6.2
545.20154	5.6
563.16815	5.0
563.24475	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01862	1.0
55.05515	0.6
57.03418	0.9
61.02922	0.6
66.02482	0.3
67.05494	0.4
68.99776	1.5
69.03423	5.7
70.00668	0.7
70.01039	1.3
70.06574	0.9
71.04970	0.9
71.64130	0.3
72.08150	0.4
73.02899	0.9
79.05491	0.5
79.89384	0.3
81.03409	4.3
81.07057	0.8
84.08117	0.3
85.02903	8.1
85.06521	0.6
86.09698	0.4
87.00815	1.4
87.04464	0.8
91.03951	0.6
91.05451	0.6
93.07041	0.3
95.04928	0.6
97.02886	3.1
98.21408	0.4
99.04459	1.6
105.01852	0.6
105.03376	0.6
107.04959	1.0
109.02885	4.1
111.00797	0.9
111.04405	0.5
111.09184	1.2
115.03912	1.9
118.14109	0.3
119.04921	0.7
119.08659	0.3
121.02860	5.9
121.06483	0.4
121.30429	0.3
125.02374	0.3
127.02975	0.4
127.03915	7.8
128.92676	0.3
129.01825	0.3
129.07010	0.3
131.08607	0.4
133.02846	0.7
135.04401	0.5
135.08009	0.3
137.02353	1.5
143.08545	0.6
145.04959	4.1
145.06114	0.5
145.06512	0.5
145.10049	0.4
147.04385	1.3
147.08122	0.4
153.01840	4.6
153.09099	0.3
157.06464	0.8
157.10144	1.0
159.02901	0.8
159.04272	0.4
159.08121	0.4
161.06001	0.7
165.01834	1.9
167.08414	0.3
169.10054	0.5
171.04395	0.8
171.07996	0.7
173.09613	0.8
175.03897	0.4
175.07579	0.6
177.05466	0.5
183.02893	0.8
183.08127	0.4
185.05966	1.1
185.09613	2.1
187.06010	0.6
187.07532	0.6
189.05373	0.4
189.09071	1.4
195.08177	0.5
197.05977	0.5
197.09666	0.4
199.07536	0.7
199.11238	0.7
201.09076	1.7
207.06586	0.4
209.09596	0.4
211.07533	0.7
212.08258	0.6
213.03882	0.9
213.05766	1.5
213.09106	6.7
213.12529	0.5
214.06279	0.4
215.10664	2.2
217.08566	0.6
221.09554	0.4
225.09059	1.1
225.12715	0.4
227.10680	2.5
227.14206	2.3
228.98883	0.3
231.04800	0.7
231.06769	0.6
231.10182	0.5
237.12819	1.3
239.10690	0.5
240.11482	2.2
241.04985	1.6
241.08855	0.4
241.12210	0.3
243.06496	0.4
243.10175	1.3
245.11723	0.7
251.10678	0.4
253.08513	0.4
253.12248	0.7
255.10207	2.7
255.13799	16.8
257.15289	0.5
258.05191	1.3
259.08185	1.0
261.11160	1.6
265.12036	0.4
267.10175	0.4
267.13852	0.5
269.04413	0.5
269.12018	0.5
269.15341	1.5
273.14844	2.2
279.10168	0.8
285.11353	0.4
285.14938	0.8
287.05487	100.0
288.05807	3.5
297.11163	1.1
297.14774	6.9
299.09244	0.3
299.12662	0.5
299.16214	0.4
301.14456	0.4
305.11658	0.5
309.11282	0.6
311.12714	0.5
313.14279	1.1
315.15881	14.2
317.91968	0.4
325.11084	0.4
327.15945	0.9
329.06680	0.6
331.15497	0.4
337.10757	0.6
339.12186	0.9
339.16061	1.0
345.16858	1.3
353.13498	0.5
357.13110	0.4
357.16910	1.5
363.16013	0.8
373.16650	0.5
381.17032	0.5
399.18042	0.4
401.12979	0.8
402.97696	0.3
405.16879	0.9
417.19113	1.0
423.18063	2.6
441.19073	3.6
459.20169	0.9
527.19427	0.6
545.19910	1.0
563.21503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1756
Annotation	Chrysin 7-rutinoside
Peak:m/z	Relative Intensity
53.03934	0.1
55.01858	0.1
55.05501	0.2
57.03426	0.2
58.48563	0.1
67.01521	0.1
67.01862	0.7
67.05493	0.1
68.99433	0.1
68.99756	0.5
69.03420	0.3
69.07065	0.1
69.09209	0.1
69.22222	0.7
70.06590	0.2
71.04998	0.7
72.08156	0.1
75.04486	0.1
76.97543	0.1
79.05489	0.2
81.03407	0.3
81.07044	0.2
83.04961	0.2
85.02903	1.6
86.09732	0.1
91.01841	0.1
91.05478	0.2
93.07013	0.2
95.04960	0.2
95.08593	0.2
97.02898	0.2
99.04417	0.1
103.05455	0.8
105.03384	0.5
105.05232	0.1
105.07022	0.2
107.04961	0.1
107.08605	0.2
109.02868	0.2
109.10148	0.1
110.07189	0.1
111.00750	0.1
111.04398	0.1
116.77897	0.1
117.07005	0.1
117.51546	0.1
119.04958	0.2
119.08569	0.2
121.10132	0.1
123.08071	0.1
125.23547	0.1
127.03906	0.3
129.01814	0.1
129.03360	0.7
129.05484	0.4
129.06970	0.1
131.08554	0.1
133.10141	0.2
137.05843	0.1
141.06943	0.1
145.10114	0.2
147.04419	0.8
147.06512	0.1
149.07431	0.1
153.01823	3.6
153.06943	0.1
159.11713	0.1
160.07603	0.1
167.07024	0.2
169.06444	0.1
171.02928	0.5
171.04305	0.1
175.03841	0.1
177.05444	0.2
178.05032	0.1
181.04945	0.1
187.07477	0.3
197.06033	0.1
197.09618	0.1
206.04489	0.2
207.06485	0.2
209.05942	0.4
213.05472	0.3
225.05515	0.1
231.06499	0.3
253.05086	0.1
255.06508	100.0
256.06888	1.3
261.12781	0.2
270.05127	0.1
271.06006	5.0
272.06363	0.1
285.07532	0.5
297.07541	0.1
297.12387	0.2
315.13248	0.3
329.06570	0.3
383.11353	0.2
401.12436	0.2
417.11761	0.3
553.34851	0.1
563.17133	0.1
566.64380	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	563.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.01865	5.7
55.05490	4.3
55.52597	2.2
57.03432	11.6
61.02927	3.3
67.05494	4.8
68.99788	5.3
69.03426	66.8
69.07072	3.2
70.06578	7.8
71.01351	2.3
71.04993	41.9
71.53303	3.1
72.04519	5.4
72.08149	3.1
73.02916	2.3
78.89297	2.2
79.05475	8.8
81.03415	10.4
81.07043	6.5
83.04977	6.0
85.02901	63.1
87.04452	3.7
90.33385	1.9
91.05470	9.9
93.07017	3.7
95.04967	11.3
95.08578	4.8
97.02885	10.0
99.04407	5.2
103.03922	3.2
105.07022	5.6
107.04948	27.2
107.08574	3.1
109.02847	15.7
109.06535	2.5
109.10150	3.1
111.04432	15.7
115.05462	3.0
119.04925	16.9
121.02852	16.1
121.06483	7.5
121.10142	4.1
123.04375	8.5
123.11697	2.4
125.06004	4.1
127.03886	6.2
129.05472	10.6
129.06970	2.3
131.04938	5.0
133.02861	3.2
133.06482	6.4
134.06027	7.1
135.04410	44.9
137.06006	4.8
141.01791	2.7
145.04881	2.4
145.06435	4.2
147.04402	47.0
147.06352	3.0
149.02361	6.3
149.05931	3.9
151.03873	6.6
151.07484	2.3
152.07056	2.7
153.01828	13.9
157.06459	2.5
159.04411	6.3
159.11699	2.6
161.05931	4.4
163.03914	16.0
165.01828	47.2
171.08037	2.8
173.05960	5.5
173.09528	3.3
175.00305	2.6
175.03915	7.5
177.01816	37.7
177.05461	8.0
179.03401	6.1
181.04916	3.0
183.02905	31.0
187.03928	7.2
187.07524	5.5
189.01814	13.8
189.05449	7.6
191.03383	45.7
193.04964	5.5
195.02863	25.5
195.06560	4.5
196.06863	3.5
201.01834	3.6
201.05547	6.4
203.03380	27.3
205.01352	5.0
205.04913	4.6
206.04478	4.1
207.02858	21.7
207.06514	4.6
209.04483	6.9
213.05452	5.3
215.03363	9.0
215.06932	3.1
217.01328	3.6
217.04909	13.8
219.02876	100.0
221.04475	15.8
223.02376	3.8
225.03934	5.1
227.03334	4.9
229.04881	11.6
231.02876	44.3
233.04437	15.2
235.02301	2.3
235.05942	3.5
237.03853	3.6
241.04953	4.7
243.02890	13.5
243.06499	3.1
245.04427	48.3
249.03914	19.0
255.02774	2.8
255.06499	21.8
257.04379	18.4
261.03912	63.0
263.05496	54.9
263.07632	1.5
269.04437	8.2
271.06000	5.2
273.03851	11.8
273.07544	9.0
275.05524	8.6
279.05017	7.2
281.06522	7.0
283.05963	8.5
285.03903	19.2
285.07553	39.3
287.05515	10.8
291.04922	5.6
293.06558	3.1
297.07635	40.7
303.04990	10.9
305.06378	3.0
309.07486	9.9
311.05490	12.7
315.05026	2.8
321.06052	5.5
327.04999	5.3
327.08527	8.6
329.06537	24.6
339.08682	64.2
341.06586	4.9
345.05783	4.1
347.07510	10.4
351.08640	28.1
353.47885	2.4
359.07471	2.7
363.08105	12.0
365.10217	20.5
369.09674	3.3
371.07602	6.4
374.81296	2.3
377.08752	3.3
381.09732	26.0
383.11215	44.4
389.08423	13.2
393.09564	8.9
395.11020	4.6
399.10754	18.6
401.12256	26.0
405.09592	4.9
407.09863	28.1
411.10648	5.2
413.12119	9.7
417.11816	43.8
423.10660	4.3
425.10825	18.4
429.11780	10.4
431.11053	7.0
441.11612	5.6
449.12183	8.6
459.12784	11.7
461.12149	6.8
467.13077	6.8
479.12912	4.0
491.13336	4.6
509.14554	5.9
527.15540	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	563.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.01865	5.7
55.05490	4.3
55.52597	2.2
57.03432	11.6
61.02927	3.3
67.05494	4.8
68.99788	5.3
69.03426	66.8
69.07072	3.2
70.06578	7.8
71.01351	2.3
71.04993	41.9
71.53303	3.1
72.04519	5.4
72.08149	3.1
73.02916	2.3
78.89297	2.2
79.05475	8.8
81.03415	10.4
81.07043	6.5
83.04977	6.0
85.02901	63.1
87.04452	3.7
90.33385	1.9
91.05470	9.9
93.07017	3.7
95.04967	11.3
95.08578	4.8
97.02885	10.0
99.04407	5.2
103.03922	3.2
105.07022	5.6
107.04948	27.2
107.08574	3.1
109.02847	15.7
109.06535	2.5
109.10150	3.1
111.04432	15.7
115.05462	3.0
119.04925	16.9
121.02852	16.1
121.06483	7.5
121.10142	4.1
123.04375	8.5
123.11697	2.4
125.06004	4.1
127.03886	6.2
129.05472	10.6
129.06970	2.3
131.04938	5.0
133.02861	3.2
133.06482	6.4
134.06027	7.1
135.04410	44.9
137.06006	4.8
141.01791	2.7
145.04881	2.4
145.06435	4.2
147.04402	47.0
147.06352	3.0
149.02361	6.3
149.05931	3.9
151.03873	6.6
151.07484	2.3
152.07056	2.7
153.01828	13.9
157.06459	2.5
159.04411	6.3
159.11699	2.6
161.05931	4.4
163.03914	16.0
165.01828	47.2
171.08037	2.8
173.05960	5.5
173.09528	3.3
175.00305	2.6
175.03915	7.5
177.01816	37.7
177.05461	8.0
179.03401	6.1
181.04916	3.0
183.02905	31.0
187.03928	7.2
187.07524	5.5
189.01814	13.8
189.05449	7.6
191.03383	45.7
193.04964	5.5
195.02863	25.5
195.06560	4.5
196.06863	3.5
201.01834	3.6
201.05547	6.4
203.03380	27.3
205.01352	5.0
205.04913	4.6
206.04478	4.1
207.02858	21.7
207.06514	4.6
209.04483	6.9
213.05452	5.3
215.03363	9.0
215.06932	3.1
217.01328	3.6
217.04909	13.8
219.02876	100.0
221.04475	15.8
223.02376	3.8
225.03934	5.1
227.03334	4.9
229.04881	11.6
231.02876	44.3
233.04437	15.2
235.02301	2.3
235.05942	3.5
237.03853	3.6
241.04953	4.7
243.02890	13.5
243.06499	3.1
245.04427	48.3
249.03914	19.0
255.02774	2.8
255.06499	21.8
257.04379	18.4
261.03912	63.0
263.05496	54.9
263.07632	1.5
269.04437	8.2
271.06000	5.2
273.03851	11.8
273.07544	9.0
275.05524	8.6
279.05017	7.2
281.06522	7.0
283.05963	8.5
285.03903	19.2
285.07553	39.3
287.05515	10.8
291.04922	5.6
293.06558	3.1
297.07635	40.7
303.04990	10.9
305.06378	3.0
309.07486	9.9
311.05490	12.7
315.05026	2.8
321.06052	5.5
327.04999	5.3
327.08527	8.6
329.06537	24.6
339.08682	64.2
341.06586	4.9
345.05783	4.1
347.07510	10.4
351.08640	28.1
353.47885	2.4
359.07471	2.7
363.08105	12.0
365.10217	20.5
369.09674	3.3
371.07602	6.4
374.81296	2.3
377.08752	3.3
381.09732	26.0
383.11215	44.4
389.08423	13.2
393.09564	8.9
395.11020	4.6
399.10754	18.6
401.12256	26.0
405.09592	4.9
407.09863	28.1
411.10648	5.2
413.12119	9.7
417.11816	43.8
423.10660	4.3
425.10825	18.4
429.11780	10.4
431.11053	7.0
441.11612	5.6
449.12183	8.6
459.12784	11.7
461.12149	6.8
467.13077	6.8
479.12912	4.0
491.13336	4.6
509.14554	5.9
527.15540	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	563.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	40.0
58.94682	1.0
59.85416	1.0
63.15026	1.2
69.03409	3.4
70.06601	7.1
71.04977	1.4
71.52057	1.3
71.95245	3.4
72.08147	2.8
72.96037	1.6
74.97600	3.1
81.03413	2.4
81.07067	1.2
84.08148	1.6
84.96020	4.4
85.02907	9.2
86.09659	1.1
87.04438	1.2
89.03892	1.6
91.05462	3.1
97.02873	3.8
97.96787	1.2
98.97584	100.0
99.04496	1.5
105.03408	6.7
109.02857	1.6
110.97552	16.5
116.07079	5.2
116.98621	88.1
117.03345	1.2
117.07452	1.4
119.01855	1.3
119.04934	2.5
121.02856	1.4
127.03891	3.8
128.98604	30.1
131.00146	4.6
134.99660	52.9
137.05984	1.5
140.00212	3.8
142.96568	1.3
143.00151	4.7
145.01753	1.3
145.02751	1.9
145.04948	2.2
146.99657	28.5
147.04375	8.0
148.04781	1.2
149.01195	4.4
150.99197	1.2
152.00136	1.3
153.00706	7.0
153.01738	1.3
158.01241	4.0
158.99658	37.8
159.03256	1.4
160.07414	1.2
160.97566	2.5
161.01244	6.3
161.02931	2.1
162.99132	1.1
165.00758	4.8
167.07033	1.7
170.01331	1.5
170.99648	18.7
173.01155	2.9
175.03957	1.3
177.00717	83.7
177.05490	4.9
178.98634	4.0
179.02226	3.3
189.00706	49.5
189.04301	10.0
190.98639	1.3
191.02220	2.9
193.00171	1.6
193.01752	1.2
195.01747	9.0
196.99585	1.9
197.01207	5.1
197.04819	2.1
200.02321	8.3
200.03966	1.5
201.00598	5.1
201.04338	1.2
202.98610	3.7
203.02301	3.4
203.05946	2.6
206.99837	1.5
207.01779	29.9
207.05368	4.6
211.06502	1.5
212.02289	4.2
213.04181	1.4
215.02327	4.2
215.05908	2.8
219.01775	21.2
220.99681	16.1
221.03238	2.3
221.06923	2.1
223.02858	2.5
225.02921	1.3
227.04277	1.4
230.03337	4.4
231.01807	2.2
232.99693	3.1
235.10120	4.0
237.02831	26.6
239.00705	3.4
241.03809	4.1
244.01265	1.6
249.02853	6.0
250.82779	1.1
251.00961	5.2
251.05841	1.4
253.11136	46.5
255.03889	12.0
260.04575	1.8
261.02795	2.9
263.00745	5.1
267.00327	1.7
271.12180	53.1
276.12680	3.8
279.03891	35.0
279.08887	9.2
281.02011	2.9
289.13248	1.5
294.13708	2.4
295.12225	4.0
297.05228	5.5
297.10086	43.0
313.13214	3.5
315.11139	43.1
320.06549	2.7
320.11554	3.7
321.05066	1.7
321.09940	4.6
323.02899	26.3
323.06479	1.3
323.10077	2.5
338.12564	2.0
339.07159	2.4
339.11166	42.2
341.03873	7.6
353.07516	2.6
357.12253	19.5
364.05853	2.2
367.09045	2.2
369.12433	8.9
375.13312	2.4
380.13782	4.5
381.12540	1.5
383.05301	1.5
395.02496	1.6
399.13187	2.5
441.05676	2.7
459.15588	5.3
465.03778	1.5
477.16156	1.4
545.09723	1.0
547.46509	1.4
563.20813	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	563.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.1
55.05489	0.3
62.29863	0.1
67.05472	0.4
69.03412	0.5
69.07058	0.2
69.35139	1.2
70.06561	0.2
71.04932	0.1
72.08132	0.2
74.06441	0.1
79.05480	0.3
79.05914	0.1
81.03391	0.5
81.07078	0.7
83.04979	0.2
85.02876	0.4
85.06512	0.2
91.05479	1.0
93.07005	0.6
95.04929	0.2
95.08575	0.6
95.09109	0.2
97.02871	0.2
98.21510	0.3
99.04424	0.2
100.86530	0.1
102.30692	0.1
105.06995	0.3
107.04935	0.3
107.08587	0.3
109.02845	0.4
109.10126	0.5
109.19045	0.1
115.05509	0.1
119.04921	0.6
119.08579	0.3
121.06489	0.2
121.10117	0.3
123.04425	0.2
123.11682	0.7
125.05983	0.2
127.03886	0.4
131.08533	0.2
133.06451	0.9
133.10077	0.3
134.07257	0.3
135.04413	1.1
137.05917	0.2
137.09673	0.1
145.06400	0.2
145.10121	0.3
147.04398	1.3
147.11693	0.3
151.03902	0.2
157.10089	0.2
159.04402	0.1
161.05974	0.5
167.07051	0.3
168.00519	1.5
174.06775	0.3
175.03906	5.9
182.07227	0.2
183.77475	0.2
185.05978	0.2
185.13280	0.2
186.01633	1.4
189.05522	0.4
194.04474	0.3
201.05418	0.2
203.07028	0.3
207.02979	0.2
207.06549	0.3
209.05986	1.1
213.05476	0.2
217.08655	0.2
226.06384	0.2
227.06886	0.2
229.04887	0.3
233.11748	0.3
241.08487	0.2
242.05782	0.2
247.92404	0.1
248.06642	0.3
254.05765	0.3
255.06580	0.2
257.04407	1.2
271.05975	0.4
272.06717	0.7
273.06259	0.2
283.06107	0.2
285.04398	0.9
285.07120	1.0
288.08759	0.3
297.14859	1.7
299.05423	0.8
300.06271	61.7
301.06625	1.2
314.04089	0.3
315.08606	100.0
316.08948	2.3
326.64017	0.1
401.14310	0.2
477.13995	0.5
517.43713	0.1
527.34174	0.2
562.35443	0.2
563.13416	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.1
65.80271	5.1
67.05490	19.0
69.03418	6.1
69.07047	17.4
69.19033	53.3
71.04962	6.4
73.10597	5.0
79.05477	18.2
81.07052	51.4
85.06535	5.3
89.36041	5.5
91.05476	13.7
93.07034	13.6
95.08601	13.7
97.06521	5.6
99.04455	16.2
105.07028	12.3
107.08585	15.7
109.06536	24.0
109.07193	4.8
109.10142	6.4
111.04354	5.2
119.08556	15.0
121.10155	9.0
131.08551	8.6
133.10092	23.4
135.08061	8.2
135.11632	9.5
143.08522	7.4
145.10104	8.2
147.04442	13.0
147.11668	7.8
149.09583	9.6
157.10138	6.8
159.04350	7.5
159.11647	8.2
161.13318	5.2
163.11133	6.6
171.11568	6.8
173.13205	5.3
175.03902	63.6
176.04204	21.3
183.11772	7.1
185.13264	6.7
187.03946	6.7
188.04279	5.2
211.94135	5.0
223.14804	5.5
229.08522	12.9
230.08978	9.2
231.73071	4.7
233.04416	7.4
238.31705	4.7
242.42500	5.8
247.09625	29.8
248.09993	21.1
293.18973	6.2
353.11011	5.7
369.23865	5.9
395.25726	7.1
413.26874	100.0
429.20721	5.5
515.85779	5.6
544.36981	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	562.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.6
55.05515	20.7
56.89857	2.7
57.03441	20.5
67.05507	35.8
69.03429	6.1
69.07061	13.4
70.06594	6.0
71.04984	4.7
71.51659	3.3
71.52028	4.0
79.05491	36.3
81.03418	91.8
81.07065	41.7
83.04984	16.6
83.08623	22.7
85.02909	15.3
85.06541	3.8
89.15446	2.6
91.05480	37.7
93.07043	30.0
95.04971	38.0
95.08617	18.8
97.02901	5.5
97.06521	7.9
97.10174	9.8
99.04489	4.7
105.07040	31.4
106.07383	3.2
107.04978	11.8
107.08584	16.3
109.06503	5.5
109.10161	14.4
111.08079	10.1
117.07037	5.2
119.07791	5.2
119.08561	27.8
121.06504	12.8
121.10116	15.6
123.08038	6.2
125.09636	5.4
129.07007	17.1
131.08560	15.8
133.06531	5.7
133.10124	12.0
135.11710	3.8
137.09592	3.1
143.08543	4.3
145.06519	7.4
145.10147	11.2
147.08031	6.3
147.11710	11.8
149.09636	7.9
157.10115	16.3
159.08099	2.9
159.11771	3.5
161.13326	3.8
163.11238	6.1
165.12810	5.2
171.02966	3.0
173.09526	3.2
173.11865	3.3
175.11157	11.5
185.13252	3.6
187.03822	3.2
191.10576	4.5
193.12259	34.7
205.04944	5.2
209.11707	5.1
211.13264	24.8
227.12747	6.7
229.14404	9.7
267.15924	100.0
283.15436	11.3
285.16992	21.4
301.16418	6.1
367.22797	10.4
385.23669	10.7
398.27762	5.6
400.51743	3.5
431.40695	3.2
433.25735	6.0
442.30374	6.6
459.27350	51.2
462.22028	3.1
477.28506	43.7
509.26968	6.1
562.17108	4.2
562.37311	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	562.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.6
55.05515	20.7
56.89857	2.7
57.03441	20.5
67.05507	35.8
69.03429	6.1
69.07061	13.4
70.06594	6.0
71.04984	4.7
71.51659	3.3
71.52028	4.0
79.05491	36.3
81.03418	91.8
81.07065	41.7
83.04984	16.6
83.08623	22.7
85.02909	15.3
85.06541	3.8
89.15446	2.6
91.05480	37.7
93.07043	30.0
95.04971	38.0
95.08617	18.8
97.02901	5.5
97.06521	7.9
97.10174	9.8
99.04489	4.7
105.07040	31.4
106.07383	3.2
107.04978	11.8
107.08584	16.3
109.06503	5.5
109.10161	14.4
111.08079	10.1
117.07037	5.2
119.07791	5.2
119.08561	27.8
121.06504	12.8
121.10116	15.6
123.08038	6.2
125.09636	5.4
129.07007	17.1
131.08560	15.8
133.06531	5.7
133.10124	12.0
135.11710	3.8
137.09592	3.1
143.08543	4.3
145.06519	7.4
145.10147	11.2
147.08031	6.3
147.11710	11.8
149.09636	7.9
157.10115	16.3
159.08099	2.9
159.11771	3.5
161.13326	3.8
163.11238	6.1
165.12810	5.2
171.02966	3.0
173.09526	3.2
173.11865	3.3
175.11157	11.5
185.13252	3.6
187.03822	3.2
191.10576	4.5
193.12259	34.7
205.04944	5.2
209.11707	5.1
211.13264	24.8
227.12747	6.7
229.14404	9.7
267.15924	100.0
283.15436	11.3
285.16992	21.4
301.16418	6.1
367.22797	10.4
385.23669	10.7
398.27762	5.6
400.51743	3.5
431.40695	3.2
433.25735	6.0
442.30374	6.6
459.27350	51.2
462.22028	3.1
477.28506	43.7
509.26968	6.1
562.17108	4.2
562.37311	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	562.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.3
55.01879	6.8
55.05519	24.1
57.03428	10.1
64.30447	3.0
65.03935	3.3
67.05511	32.3
69.03418	12.4
69.07079	25.4
69.07427	3.9
70.06586	4.4
70.77979	8.9
71.04984	4.2
79.05496	28.0
81.03416	29.3
81.07058	30.7
83.04974	11.7
83.08614	20.3
85.02911	8.6
91.05492	25.9
93.07054	25.3
94.54726	3.2
95.04973	19.9
95.06081	13.0
95.08604	11.9
97.02905	14.5
97.06532	6.3
97.10178	18.0
105.07036	18.3
107.04938	7.5
107.08612	14.9
109.06504	4.0
109.10182	14.6
111.04496	3.0
111.08087	3.4
115.05440	3.7
117.07021	11.0
118.87528	2.7
119.08578	20.2
121.06465	3.8
121.10143	13.0
123.08060	4.1
125.09631	12.8
129.06989	8.7
131.08559	11.3
133.06447	3.6
133.10120	10.1
135.08022	5.2
135.11713	4.1
137.09644	3.9
143.08580	4.1
145.06482	3.4
145.10149	10.8
147.08041	7.6
147.11659	7.3
149.09692	6.8
150.14536	3.0
155.08565	3.1
157.10124	6.4
163.11186	7.2
175.11203	6.3
178.09773	3.7
189.11185	5.1
191.10661	5.3
193.12245	15.7
209.11690	4.2
211.13229	5.4
223.13280	18.6
227.12766	6.0
229.14311	6.4
267.15924	22.0
273.18436	8.0
283.12579	3.7
283.15332	15.5
285.16916	17.5
291.19547	87.9
347.22079	3.4
365.23260	100.0
367.22665	3.6
385.23923	4.2
459.27560	8.7
477.28229	11.7
509.27322	4.7
527.28937	3.1
562.37140	6.3
580.32770	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	562.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01859	7.9
55.05524	12.2
57.03427	8.7
57.07061	2.1
58.06596	3.3
61.02921	3.7
67.05508	50.3
69.03436	6.5
69.07063	15.2
70.06611	2.3
71.04988	5.9
71.52975	4.0
72.45301	2.1
79.05494	28.6
81.03397	11.4
81.06595	3.6
81.07053	47.7
83.04973	13.8
83.08607	10.0
85.02893	5.9
85.06537	5.6
91.05484	44.3
93.07049	31.0
95.04980	12.3
95.08609	13.9
97.02889	2.3
97.06529	6.5
98.34962	2.2
99.04470	2.6
99.13326	2.2
105.07029	36.9
107.04947	10.4
107.08604	27.3
109.06522	7.7
109.10167	49.4
110.10440	1.9
111.04433	3.2
111.08076	5.6
116.98679	2.1
117.07008	6.2
119.08572	13.7
121.06536	5.2
121.10184	10.6
123.08070	2.7
123.11697	9.2
125.09635	3.9
127.07538	2.3
129.05486	2.4
129.06996	3.3
131.08556	12.5
133.06479	5.2
133.10132	61.9
135.08058	3.9
135.11636	3.3
137.09683	2.1
143.08560	2.6
145.10095	8.5
146.98270	2.0
147.08006	3.3
147.11682	5.0
149.09604	8.4
151.11189	32.5
157.10088	4.4
159.08052	3.5
159.11678	2.6
161.09669	4.5
163.11099	2.4
165.12627	2.6
169.12210	3.8
171.11664	2.9
175.03831	2.7
175.11183	5.1
177.09081	3.4
193.12257	5.3
211.13171	3.4
229.14343	3.3
245.19031	4.3
253.11684	5.2
253.14349	100.0
255.17436	2.7
263.20007	4.1
267.15906	5.2
269.13760	3.5
271.15414	12.3
273.18503	13.3
285.17007	4.1
291.19550	15.9
347.22134	6.0
365.23227	83.2
366.23575	2.6
383.24188	3.4
459.27316	2.9
477.28180	7.1
562.17670	2.4
562.36194	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	562.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
55.05511	3.8
60.04531	2.9
61.19735	1.5
63.86942	1.4
67.05492	4.7
69.03426	5.5
69.07059	2.7
70.06602	9.2
70.63891	1.3
71.04992	2.3
72.08153	24.8
77.03922	1.9
79.05473	4.7
81.03415	9.8
81.07047	5.5
83.04949	1.6
84.08138	2.5
85.02901	7.1
85.06520	1.8
86.06065	45.8
86.09708	4.1
89.96846	1.4
91.05479	21.4
93.07039	7.2
95.04958	5.3
95.08594	4.6
97.02894	5.1
97.06526	4.2
103.05467	1.4
105.03387	100.0
105.07017	5.1
107.04950	2.3
107.08571	3.9
109.02876	5.3
109.06535	1.4
110.36457	1.5
111.04432	1.8
116.10699	3.1
119.04934	30.4
119.08581	3.3
120.08079	2.4
121.02892	2.1
121.10162	2.9
123.08064	2.1
127.03897	5.6
131.08513	3.2
133.10095	2.2
134.05980	2.6
135.04407	2.0
135.11688	2.3
137.05969	2.8
143.08476	1.4
147.04387	25.6
147.11749	2.7
149.09636	1.9
151.03908	2.5
157.03957	2.6
162.09116	1.8
163.07440	1.6
165.09138	1.6
167.07051	1.7
173.13281	1.9
175.03905	48.1
176.10698	13.1
176.99641	1.4
178.04958	2.8
179.06978	3.8
193.12308	2.0
194.11766	72.7
195.06606	1.6
198.11229	2.0
206.04436	7.1
207.06529	87.4
214.17906	1.5
216.12326	2.8
222.07674	2.1
229.14326	1.9
255.06560	5.7
259.04822	2.9
260.05554	1.7
261.18417	1.9
271.06021	4.8
274.07181	3.6
287.05420	2.8
288.05289	2.9
289.05637	2.2
302.06641	7.0
303.07388	3.3
314.13812	2.6
351.10687	5.6
354.09985	1.6
369.11761	11.8
382.10110	3.2
400.14069	20.1
464.21219	2.2
544.24829	1.9
562.18530	2.9
562.34222	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	562.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.7
53.03746	0.4
53.03949	4.3
55.05492	0.7
57.03409	0.7
61.02918	0.6
65.03937	1.6
67.05507	3.2
69.03416	1.5
69.07066	0.4
70.06589	1.1
70.07188	1.2
71.05000	0.6
72.29803	0.4
77.03941	1.2
79.05498	5.6
81.03407	1.5
81.07050	1.2
83.04984	1.6
85.02903	2.8
91.05492	1.0
93.03405	2.3
93.07035	0.8
95.04968	16.5
97.02875	0.9
98.20731	0.4
105.03391	100.0
105.07029	1.0
106.03701	1.1
107.08617	0.5
109.02908	0.8
111.04430	4.5
117.07071	0.4
121.02863	2.6
121.10185	0.6
123.04414	4.8
127.03891	1.3
132.00995	0.5
133.09116	0.5
133.10075	0.4
135.11688	0.4
139.03918	4.9
145.05000	0.6
147.11668	0.5
165.01820	2.0
182.68269	0.4
183.02902	1.6
206.04559	0.6
243.06525	2.9
255.06708	0.4
261.07578	50.6
262.07883	1.1
272.06702	1.3
274.07074	1.4
285.06689	0.9
300.06198	2.9
302.06650	0.9
315.08633	8.6
315.11862	0.4
365.10233	5.8
400.14011	3.7
476.19659	2.1
562.23218	1.4
562.32324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15814	1.3
53.03929	5.6
55.05512	22.7
57.03427	3.9
57.07060	3.4
59.04984	1.7
59.57708	1.4
62.42860	1.5
63.26035	1.6
65.03936	4.0
66.92227	1.6
67.05504	95.4
69.03405	4.8
69.07067	22.1
70.92857	1.3
71.04608	2.9
71.04990	57.4
71.08619	3.8
71.18192	3.7
71.18524	1.7
79.05494	61.4
80.05788	1.7
81.03410	3.3
81.07054	100.0
83.04980	9.9
83.08611	12.3
85.06535	8.4
91.05477	56.5
91.65089	1.9
93.07037	68.7
94.07327	1.6
95.04943	11.4
95.08601	38.8
97.06538	10.5
97.10158	3.9
99.08064	5.0
105.07030	31.4
107.04939	2.0
107.08587	38.0
109.06514	3.8
109.10150	17.7
111.08062	4.1
117.06999	10.4
119.08589	13.2
121.10155	24.0
123.11706	25.5
124.44651	1.4
125.09624	4.4
130.75940	1.7
131.08589	17.6
133.10121	33.1
135.11671	20.3
143.08563	3.1
145.10103	8.2
147.11668	7.1
149.09586	2.0
149.13261	11.8
151.11185	14.0
157.10054	2.8
159.11681	14.2
161.13223	6.2
165.12680	1.8
171.11703	2.0
173.13286	3.8
175.03973	1.7
175.14861	2.6
177.12709	4.5
183.13802	19.5
184.56784	1.5
190.77101	1.4
194.07317	1.9
195.13788	6.4
201.14867	1.8
209.11462	1.7
213.14807	2.0
227.16371	1.8
242.69220	1.6
261.22095	6.2
269.17426	2.4
275.20187	2.6
283.19083	3.9
285.16791	2.9
293.21060	9.4
335.25485	2.0
361.27252	2.5
363.25037	4.3
517.38843	28.2
518.39868	1.7
529.38708	11.9
561.25250	7.6
561.41693	76.3
562.41583	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	40.5
57.07047	10.7
59.04987	13.4
67.05492	48.3
68.01592	7.6
69.03425	20.2
69.07047	23.7
70.06592	19.4
70.34618	25.4
71.04989	24.7
72.81541	8.1
79.05477	34.1
81.03406	22.9
81.07064	50.1
83.04962	15.2
83.08630	12.6
85.02918	14.1
85.06519	8.6
91.05478	50.2
93.07061	46.1
95.04958	18.5
95.08582	41.6
97.02919	11.3
97.06497	14.7
97.10175	9.7
97.55689	8.5
99.04448	14.0
105.03443	8.9
105.07030	72.9
107.04961	20.4
107.08597	53.2
109.06509	11.7
109.10162	40.0
111.08075	14.2
117.07004	20.8
119.08569	50.7
121.02849	8.7
121.06493	11.5
121.10150	43.2
123.08076	20.0
123.11739	12.2
128.06180	9.7
129.07028	15.0
131.08568	52.6
133.10114	38.2
135.11707	19.4
139.07556	10.9
142.07777	10.0
143.08565	31.0
143.71022	8.7
145.06502	9.7
145.10129	85.2
147.11693	70.8
149.09613	13.3
151.11185	19.0
155.08549	18.7
157.10144	47.9
159.11714	26.3
161.13237	30.1
163.11140	14.0
169.10156	25.3
171.11670	36.9
173.13261	31.7
175.11226	17.4
181.10133	12.9
183.11700	22.4
185.13263	30.6
187.14833	26.7
189.12721	25.1
193.10100	11.9
193.12189	8.8
195.11827	19.2
197.13228	32.4
199.14867	16.5
209.13303	22.8
209.22885	9.1
211.14859	20.0
213.16496	10.6
215.10455	8.4
219.13611	10.1
221.13284	13.9
223.14839	35.6
225.16258	15.1
237.16347	18.4
239.17851	11.1
247.14847	10.6
249.16376	14.3
255.17487	11.3
267.15945	10.0
271.05936	11.3
297.18350	14.1
309.22046	23.7
339.23029	10.2
341.20969	20.2
351.23230	11.9
355.22446	24.8
363.27029	10.1
365.24402	12.9
381.27847	25.4
383.25867	18.5
397.27448	60.3
399.25348	15.3
423.28854	28.5
425.26459	9.5
441.30032	100.0
465.30096	17.6
483.31015	17.9
501.32071	70.9
537.84143	8.4
561.35950	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01865	1.2
55.05511	3.8
57.03430	1.5
57.07064	1.1
59.04992	1.0
65.03933	1.3
67.05505	10.4
69.06790	0.4
69.07067	4.2
71.04990	0.7
71.08630	0.7
71.25682	0.9
73.36289	0.4
73.71779	0.5
79.05492	6.5
81.03418	3.5
81.07063	9.8
83.04977	1.1
83.08627	2.2
85.02905	0.7
85.06544	1.0
91.05479	14.0
93.07046	6.4
95.04967	1.3
95.08609	6.8
97.06521	1.7
97.10150	1.6
98.98470	3.0
99.04445	0.6
99.08101	1.2
103.05453	0.8
105.07035	4.5
107.04939	1.2
107.08584	3.8
109.02884	0.5
109.06485	0.8
109.10165	3.5
111.08071	0.9
115.05481	0.6
117.07026	1.9
119.04963	3.7
119.08551	2.8
121.06480	0.7
121.10141	3.7
123.08070	0.5
123.11687	1.2
125.09597	1.3
129.07047	0.7
131.04922	1.1
131.08551	2.0
133.06482	0.9
133.10170	2.4
135.11691	2.1
137.09605	0.8
139.11130	0.7
143.08575	1.3
145.06483	0.6
145.10118	1.8
147.03235	1.0
147.04410	16.0
147.08098	0.5
147.11690	1.9
149.09607	0.9
149.13223	0.9
151.11147	0.6
154.99913	0.5
155.01036	3.2
155.08537	0.5
157.10109	0.8
159.04422	0.9
159.11717	1.3
161.13240	1.0
163.03816	0.7
163.11197	1.2
163.14717	0.7
169.10048	0.5
169.50047	0.4
171.11719	0.5
173.09650	0.8
173.11794	0.8
173.13179	0.6
175.03906	100.0
175.14801	0.7
176.04250	0.9
177.05469	0.8
179.14406	0.7
183.11624	0.6
185.13245	0.5
187.03859	3.5
189.05446	4.2
193.12271	0.6
199.03941	1.1
201.05444	0.8
211.13176	0.6
213.05356	0.6
216.06580	1.0
226.06424	0.6
227.12706	0.9
229.08644	2.2
231.10153	7.3
241.08571	2.3
243.10193	1.9
245.08054	1.3
245.13751	1.0
247.09732	2.3
259.09647	0.9
263.23837	0.9
267.15894	0.5
275.20013	0.7
277.21606	1.6
293.21024	0.5
313.14331	2.4
315.23358	0.6
337.27292	3.9
351.25729	0.7
365.48926	0.5
451.32059	0.6
469.33334	1.0
525.35474	0.5
543.36713	4.7
561.17224	2.6
561.24933	4.5
561.38104	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	561.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01232	1.3
55.01460	3.2
55.01872	6.3
55.05511	1.9
56.17054	1.3
57.03430	2.7
60.04522	2.4
61.02948	1.3
65.03946	1.7
67.05502	3.5
69.03426	6.5
69.07059	4.0
70.06590	26.7
70.46415	4.1
70.46773	1.6
71.06922	2.4
72.08149	8.1
73.02911	3.3
79.05488	4.9
81.03418	9.8
81.04532	3.9
81.07062	1.6
83.04959	2.2
83.06113	1.7
84.04505	4.1
84.08130	8.6
85.02899	15.2
86.06043	1.6
86.09691	14.8
87.05525	1.4
91.05489	5.7
93.03398	4.2
94.09298	1.4
95.01342	3.6
95.04986	4.7
95.08584	1.5
95.88670	1.5
97.02889	12.7
97.06514	1.7
98.06049	1.5
99.04493	1.5
103.03935	3.6
103.05470	4.0
105.03386	3.9
105.07030	4.5
107.04948	35.4
107.05630	2.6
109.02885	19.4
109.06503	2.3
110.07184	2.0
111.04436	2.4
112.07577	2.6
115.05447	4.2
116.07075	2.4
116.07903	1.5
117.07020	3.1
119.04951	11.9
120.08096	2.2
121.02866	30.9
121.06468	10.8
123.04440	8.9
127.03909	4.6
127.05037	2.0
127.08656	1.6
129.06982	3.1
129.10245	4.4
131.04935	6.4
133.02870	5.0
133.06476	11.9
135.00784	2.4
135.04399	27.6
141.00546	1.4
145.02795	3.2
145.06490	9.6
147.04410	30.7
147.07997	2.8
149.02348	4.5
149.05949	2.5
151.03899	8.4
153.01828	3.6
157.06477	3.5
159.04416	10.7
161.02327	3.8
161.05963	13.9
163.03893	9.1
165.01837	12.2
165.05484	1.6
169.06526	2.0
171.04425	4.0
171.07990	1.8
173.05959	17.1
175.03896	8.6
175.07506	3.4
177.01826	18.4
177.05453	9.7
178.05080	6.8
178.06366	1.5
179.03435	2.9
181.04996	2.3
181.06438	2.1
183.02940	9.5
185.06009	5.6
187.03952	10.9
187.07501	3.4
189.01833	22.5
189.05466	8.6
191.03412	12.1
193.04961	2.8
195.02899	36.4
197.06003	7.1
199.03949	2.4
201.01878	7.0
201.05461	27.8
201.07217	2.3
201.12367	1.7
203.03400	22.6
203.06894	3.5
205.01358	3.8
205.04944	4.8
206.04475	7.3
207.02885	18.7
207.06444	3.8
209.04463	2.8
213.05423	6.4
215.03363	22.2
215.06856	1.8
217.01457	3.4
217.04979	7.2
219.02879	29.2
221.00801	6.6
221.04349	8.9
223.02348	6.4
225.05472	4.4
227.03337	11.3
229.01396	2.7
229.04953	37.1
231.02884	77.0
231.06622	5.5
233.04396	7.9
235.02428	2.6
237.03758	2.1
239.03424	3.0
239.07004	1.7
241.01395	3.7
241.04935	6.1
243.02885	51.5
243.06465	9.9
244.03368	2.0
245.04453	8.4
247.06070	3.2
249.03966	36.1
253.05058	8.2
255.02878	14.6
255.05269	1.8
255.06552	1.8
257.04462	33.9
258.05154	1.6
259.02417	7.6
259.06024	1.7
261.03925	33.1
261.06470	2.6
267.02914	5.7
267.06412	2.6
269.04453	18.3
271.02313	4.2
271.06033	12.9
273.03918	46.7
275.05624	3.4
279.05069	2.6
281.04428	6.9
283.02679	2.8
283.06042	5.0
285.03940	100.0
286.04401	3.0
287.05551	5.0
289.03354	3.3
291.04950	27.7
293.04703	2.1
295.06036	4.2
297.03922	27.3
297.07556	22.3
299.05444	18.6
303.05099	5.3
309.03412	9.8
309.07013	6.3
311.05499	4.3
313.07074	3.8
315.04971	15.1
317.06421	2.2
321.06812	1.9
323.05426	3.4
325.05948	2.3
327.04968	80.3
328.05603	1.5
339.04932	15.4
339.08316	2.0
345.06058	20.6
351.05130	1.7
351.08661	28.4
357.06027	18.8
363.07098	74.2
369.05997	12.7
375.07111	8.6
381.09625	11.3
387.06958	16.8
393.08899	22.3
405.08408	59.0
409.09052	4.1
411.10675	16.1
417.09634	12.5
423.09232	26.6
427.10138	5.7
429.11853	63.7
429.22250	4.2
441.10269	46.7
447.10800	38.7
459.10962	8.5
465.11835	14.3
471.10803	1.8
477.11856	12.1
483.12854	27.9
489.11566	8.2
495.12872	33.4
507.12860	17.4
517.80072	1.7
525.13965	25.8
543.14905	29.9
561.16125	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	561.149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96304	3.0
56.96563	42.9
56.96843	2.6
57.03439	1.8
69.03403	1.9
70.06589	3.0
71.52093	3.8
73.02901	4.2
78.73120	2.1
84.96031	4.8
85.02897	8.8
86.17746	2.5
86.89929	2.0
97.02853	6.2
97.95194	1.7
97.99198	2.7
98.97581	87.9
101.53140	1.8
105.03370	7.9
110.97569	16.7
115.00732	2.6
116.07152	1.8
116.98612	84.8
119.01868	4.8
119.04923	5.0
127.03937	3.8
128.61501	1.9
128.98593	28.8
131.00128	3.1
133.01703	3.3
134.99649	58.6
140.00169	5.1
140.98587	2.6
143.00119	2.1
143.01869	3.1
145.02748	2.0
146.99638	29.3
147.04456	12.4
149.01157	3.9
153.00706	6.5
158.01215	1.9
158.98466	3.6
158.99667	39.2
160.97588	2.3
161.01202	5.5
161.03014	3.2
163.02715	2.2
164.11037	1.9
165.00700	6.1
170.99635	19.0
171.03334	3.4
173.01308	2.2
177.00714	100.0
177.05490	5.9
178.05745	2.6
178.98589	5.2
185.01212	2.2
188.99017	3.9
189.00705	51.3
189.02422	4.4
189.04237	2.9
191.03918	3.3
195.01779	10.2
196.99664	2.7
199.04416	2.2
199.06348	2.5
200.02284	8.3
201.00725	6.3
202.98651	4.0
207.01775	28.2
212.02235	4.6
219.01659	19.4
220.99698	17.6
225.02760	2.6
225.08017	3.0
229.07407	1.9
232.99786	3.4
233.08630	3.6
237.02747	27.9
239.00673	4.3
243.01778	2.8
243.09018	3.2
244.01086	2.2
245.04996	4.9
247.08582	2.3
249.02711	3.2
249.08038	3.3
251.00717	2.5
251.04260	2.2
251.09514	31.0
253.07542	2.7
255.03813	13.5
259.06415	7.3
260.04388	2.3
261.02780	6.0
263.00760	4.8
267.09064	4.5
269.10638	24.8
271.06055	3.9
273.04736	3.5
277.07483	53.9
279.03775	37.5
287.11572	18.5
293.10675	8.0
295.08533	90.7
295.11871	4.9
296.08917	2.5
297.04984	7.2
300.09009	2.4
301.65033	2.9
303.44443	2.1
305.12686	2.9
311.11566	7.9
313.09579	90.4
314.09952	2.0
318.10159	7.1
321.04764	4.0
323.02893	22.8
331.10663	25.3
337.09601	72.4
341.04028	5.4
355.10626	49.7
363.54666	2.2
367.10666	17.3
373.11862	4.2
378.12198	6.0
381.06894	4.2
385.11710	14.4
389.09991	2.9
397.11649	5.0
399.08362	2.6
413.14633	2.0
457.13818	20.2
475.14896	27.2
512.89063	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	560.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
57.07074	6.3
58.06589	1.4
62.06093	4.1
67.05508	0.7
69.07023	0.4
71.08635	3.3
79.05495	0.6
81.07021	0.6
85.10178	1.7
93.07080	0.3
93.37095	0.3
95.08650	0.4
105.07031	0.5
106.40121	0.4
107.02711	0.4
118.11844	0.4
122.75468	0.4
143.96968	0.4
152.99413	0.4
209.16034	0.4
212.23732	3.9
230.24791	100.0
231.25133	0.7
267.15460	0.4
288.30380	0.4
383.04492	0.4
391.16769	0.4
442.12027	0.5
560.35846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69961	2.4
53.43954	2.5
55.05503	8.3
55.54898	2.7
56.05020	2.3
60.04532	49.2
67.05492	10.4
69.07052	9.0
71.04980	4.5
71.52282	2.9
79.05486	8.0
80.05063	3.1
81.03400	9.3
81.07065	14.0
85.06551	3.4
91.05513	3.3
93.07027	9.4
94.06554	7.1
95.04932	3.9
95.08603	16.9
97.06500	5.8
99.08096	3.7
105.07027	6.4
107.08612	2.7
109.10152	3.8
110.09645	2.9
111.08071	4.6
111.11726	2.6
122.09678	12.1
123.08092	17.1
128.10716	12.5
140.10710	79.4
141.09087	7.2
158.11783	7.5
176.12825	9.5
196.72879	2.5
223.27203	2.4
268.60104	2.5
279.60614	2.7
309.91861	2.4
384.38345	6.9
409.65018	3.1
484.85147	2.7
506.45267	6.9
524.39856	3.4
524.46802	39.8
542.47803	100.0
543.48505	4.3
560.48755	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	560.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01871	0.6
55.05510	4.1
57.07079	18.3
61.02893	0.4
65.03922	0.5
67.05518	0.4
69.03407	1.2
69.56946	2.3
70.06576	0.5
71.04979	0.4
73.06538	1.0
81.03420	1.7
81.07042	0.5
85.02919	3.1
87.00812	1.4
91.05483	1.1
93.07045	0.7
97.02885	1.6
99.04440	0.8
105.01860	0.8
105.03378	0.6
107.08604	0.5
109.02876	1.1
109.10118	0.4
111.04475	0.5
119.04898	0.7
119.08599	0.8
121.02855	2.3
121.10072	0.4
127.03903	2.2
134.95508	0.4
145.04941	1.1
147.04453	0.8
149.02347	100.0
150.02676	1.2
159.02879	0.7
161.05984	1.3
167.03419	1.7
175.03926	1.4
175.07552	3.9
176.04239	0.5
190.04962	0.6
203.05176	0.2
203.07031	7.7
205.08612	8.3
207.06564	1.4
208.06909	1.2
221.08096	1.0
223.09662	0.7
260.04025	0.4
277.14359	35.9
278.14685	0.6
289.17996	0.5
295.15460	2.5
316.02783	0.6
363.21545	0.7
363.74377	0.4
414.09933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
53.94500	0.5
55.01875	1.0
55.05505	1.2
56.05017	0.6
57.03426	2.0
58.79363	0.4
59.04975	0.5
61.02916	1.7
67.05505	2.2
68.05029	0.5
69.03432	5.8
69.07085	0.7
69.21567	4.5
70.06595	17.6
71.04987	0.9
72.08147	1.6
73.02921	1.3
74.06057	0.6
79.05489	0.9
81.03425	2.6
81.07053	0.7
82.06582	5.8
83.04951	0.6
84.04504	0.9
84.08136	2.7
84.47247	0.4
85.02904	8.4
85.06528	0.5
86.09726	3.3
87.04455	1.4
90.05523	0.5
91.05455	1.4
93.07038	1.2
95.08620	1.0
97.02892	3.8
97.06551	0.6
98.21496	1.2
99.04453	1.2
103.03902	0.5
105.03381	0.9
105.07035	0.9
107.08585	0.9
108.08112	0.5
109.02876	2.6
112.07587	0.5
116.07128	2.2
119.04909	0.9
120.08121	1.1
121.02902	0.8
121.10113	0.5
122.06059	0.8
124.07588	0.9
127.03924	3.2
128.07088	16.7
129.07387	0.5
130.07718	0.5
130.08653	1.1
130.53349	0.5
131.08604	0.7
133.10150	0.5
134.04623	6.8
134.05777	0.8
134.05971	0.7
136.07674	0.6
142.08548	1.0
145.04991	0.8
147.04433	1.3
148.07600	0.6
152.05678	1.5
154.08676	0.5
158.07210	0.6
160.07594	1.2
161.07921	0.7
165.02330	5.3
167.02628	0.9
168.06575	0.6
175.03917	1.2
175.09830	1.4
181.05351	1.1
182.04965	100.0
183.05148	0.8
184.07677	0.5
185.08252	0.9
186.07603	0.7
188.09175	1.1
190.03064	0.9
194.04932	3.4
200.09332	1.6
201.07852	0.6
205.05423	3.3
206.04697	0.7
207.06479	2.2
208.06796	1.3
213.12505	0.6
216.04703	1.9
219.06975	1.7
221.08446	0.9
224.06042	0.8
231.04739	0.9
231.06987	12.6
248.09662	28.3
264.08563	0.6
266.10706	63.0
267.10947	1.3
274.12842	2.7
287.05499	2.9
295.06027	0.6
314.09042	1.1
332.13318	3.1
344.10336	0.6
380.13736	0.8
398.15015	9.2
428.16000	50.9
429.16370	1.5
453.38989	0.6
498.17645	0.9
542.16522	0.8
560.19983	30.5
560.30267	6.9
561.20325	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.9
55.01865	6.0
55.05509	40.2
57.03424	8.4
57.74176	6.2
60.05611	5.6
67.05507	100.0
69.03426	7.7
69.07066	43.0
71.04984	8.4
71.08627	6.4
71.53570	9.3
74.80058	5.4
76.36204	5.9
79.05491	69.1
81.03411	9.7
81.07057	96.5
83.04975	9.0
83.08607	23.0
87.30710	5.7
91.05475	55.5
93.07043	71.0
95.04957	10.4
95.08605	49.8
97.02879	7.0
97.06557	7.1
97.10155	18.1
105.07019	47.7
107.04973	11.4
107.08585	27.5
109.10155	21.3
117.07017	19.7
119.08581	39.3
121.06494	11.2
121.10132	23.2
123.81449	5.6
125.09620	7.8
129.07002	20.6
131.08568	43.6
133.06462	8.6
133.10133	23.5
135.08012	9.3
135.11671	13.3
143.08554	32.1
145.10094	34.4
147.11646	11.3
149.13242	13.4
151.11194	8.1
155.08594	14.7
157.10123	20.2
159.11681	22.7
168.09427	8.9
169.10132	19.0
171.11722	18.1
181.10120	12.2
183.11693	17.3
185.13286	12.7
195.11737	6.3
197.13255	8.5
199.14838	11.4
211.14641	7.8
223.13266	10.3
237.16389	6.8
239.17834	6.6
270.32480	5.9
273.18396	9.1
291.19568	48.7
294.90875	6.2
323.62112	6.2
340.96869	6.7
388.68793	5.9
431.33441	10.0
439.35812	7.1
449.34064	19.9
467.35165	14.7
485.36215	8.3
523.37567	16.1
529.38721	14.3
541.39166	79.9
559.37402	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.6
55.01857	7.5
55.05509	28.7
57.03421	12.3
63.91959	3.5
65.03919	6.1
67.05506	100.0
69.07069	20.7
69.72186	19.1
69.72601	8.4
76.09759	4.4
79.05022	4.9
79.05493	93.3
81.03409	11.1
81.07056	91.2
83.04971	8.5
83.08609	23.2
89.79310	4.1
91.05475	74.9
93.06477	7.1
93.07040	90.6
95.04958	21.1
95.08604	67.6
97.06525	10.5
97.10228	5.5
98.21449	9.5
105.07032	53.7
107.04958	13.1
107.08597	39.4
107.46706	4.6
109.06513	9.6
109.10156	27.3
111.08034	3.8
117.06984	18.1
119.08581	35.2
121.06523	6.9
121.10133	19.6
123.08077	8.7
123.11742	9.2
129.07001	20.5
131.08562	17.7
133.10133	27.1
135.11685	18.2
143.08583	16.3
145.10120	19.1
147.11670	38.8
149.13196	10.4
157.10179	7.0
159.11639	9.6
161.09576	10.1
161.13260	17.2
171.11679	21.8
173.13295	6.4
189.12750	11.6
189.81071	3.9
207.13823	24.9
227.12889	5.0
256.26279	5.2
261.22217	6.6
273.18542	6.1
279.15994	7.1
281.17508	36.0
291.19476	7.9
317.24677	4.5
334.15735	4.5
335.25797	35.1
407.54016	4.8
436.23007	4.5
459.09232	5.5
530.80762	4.3
541.39075	60.4
559.36182	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60004	3.9
52.28224	5.0
52.40179	4.1
53.03939	10.3
55.05510	26.8
57.03435	10.8
57.07048	7.0
57.40127	4.1
67.05505	100.0
67.89266	4.6
69.07060	26.6
71.04984	6.3
71.52980	5.8
79.05485	95.5
81.03401	4.9
81.07049	80.2
83.04974	11.3
83.08640	11.9
91.05475	72.1
91.11315	3.9
93.07039	94.4
94.76659	4.2
95.04964	20.7
95.08603	64.8
97.06510	5.7
102.09212	4.6
105.07032	54.2
106.25217	4.4
107.04932	8.1
107.08594	38.8
109.06499	4.5
109.10149	19.7
117.06995	12.2
119.08564	26.0
121.06467	6.0
121.10149	20.3
123.08067	5.8
128.06157	7.1
129.06999	17.4
131.08572	21.1
131.19934	4.9
133.10112	20.6
135.11717	21.2
143.08568	16.6
145.10120	18.3
147.11699	42.5
149.13246	9.2
159.11719	9.0
161.13271	18.9
171.11653	30.4
173.13184	9.0
183.11708	5.7
185.13162	6.9
187.14838	5.5
189.12746	7.8
201.87424	5.5
207.13869	19.8
256.26346	8.9
257.26782	9.4
261.22183	16.4
279.15823	10.6
281.17450	66.1
335.25815	26.0
507.04156	5.3
541.38763	72.5
559.39789	10.0
559.43719	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	559.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.0
55.01874	9.4
55.05513	15.3
57.03431	4.7
57.07062	3.7
61.62982	2.2
65.03949	2.2
67.05508	24.5
69.03429	7.0
69.07063	15.0
70.09747	9.5
71.01347	4.0
71.04993	3.3
79.05067	2.8
79.05499	33.2
81.03428	21.7
81.07068	22.1
83.04990	6.2
83.08610	7.7
85.02908	3.3
85.06523	3.9
91.05479	33.7
93.07046	26.6
95.01331	95.0
95.04969	26.7
95.08607	16.3
97.02892	4.6
97.06519	3.8
97.10163	6.9
99.04484	1.8
103.05460	8.8
105.07034	79.8
107.04938	9.5
107.08588	28.7
109.06522	10.9
109.10164	10.7
111.08081	6.1
115.05450	5.7
117.07026	17.4
119.04950	3.0
119.08582	52.1
119.09373	4.3
121.02901	2.8
121.06511	8.2
121.10129	19.6
123.08066	5.3
123.11727	4.4
125.09608	4.6
128.06223	6.5
129.07047	10.7
130.07796	3.2
131.04956	8.2
131.08578	26.0
133.06482	29.8
133.10132	30.9
135.08064	5.5
135.11717	7.3
137.09642	2.9
141.07005	5.5
142.07762	6.5
143.08562	14.9
144.09256	2.4
145.02823	3.1
145.06477	16.2
145.10123	45.9
147.08070	10.4
147.11697	22.4
149.06006	6.2
149.09595	5.4
149.13225	3.2
151.07494	2.8
153.09154	2.2
155.08566	9.0
156.09291	2.6
157.10135	18.7
159.04413	3.1
159.08067	6.4
159.11707	20.5
161.05986	100.0
161.09605	5.3
161.13243	10.9
163.07571	4.1
165.06956	3.6
165.09116	3.4
166.07686	3.0
167.08565	4.0
168.09341	2.8
169.10161	9.9
170.10941	3.2
171.07991	4.4
171.11670	14.3
173.06017	4.1
173.09621	9.9
173.13245	22.1
175.07558	16.9
175.11209	5.3
175.14709	2.5
177.05460	4.2
177.09023	3.0
181.10114	6.8
182.10895	2.7
183.08138	3.9
183.11729	8.2
184.08838	2.3
185.06039	3.7
185.09604	7.1
185.13261	6.1
186.10339	2.5
187.07550	7.3
187.11174	5.4
187.14868	14.9
189.05482	6.3
189.09103	5.6
189.11018	2.2
189.12819	2.6
191.10652	5.5
193.10213	5.2
193.12206	3.8
194.10954	3.9
195.11746	6.9
197.09615	5.5
197.13287	11.5
198.06735	2.3
199.07484	4.7
199.11189	4.8
199.14848	3.4
201.05498	5.3
201.09029	13.5
201.12756	5.5
203.10651	3.7
203.14314	7.6
205.04964	18.2
205.12257	2.4
207.06503	2.8
207.11740	5.5
209.09677	2.3
209.13266	6.3
211.11176	5.0
211.13126	4.5
211.14841	5.8
212.08339	2.6
213.05539	2.4
213.09041	4.8
213.12766	4.4
215.10715	6.7
215.14316	6.0
217.12215	2.0
219.06548	7.9
219.11771	2.2
219.13795	3.6
220.12360	2.4
221.09708	2.5
221.13359	2.7
223.11165	3.1
225.09085	5.8
225.12595	2.7
227.10741	6.1
229.12224	4.2
229.15971	3.2
231.13705	2.5
233.13300	2.5
233.15379	7.2
235.11168	2.9
236.11896	2.5
237.12834	4.3
237.16408	3.0
239.14241	3.6
241.12201	3.1
247.16968	2.4
249.12782	5.4
251.14392	3.7
253.12173	3.8
255.13954	3.9
257.15289	2.7
263.14395	3.4
265.12302	3.0
265.15848	3.3
267.13577	3.6
269.15500	4.6
275.20020	8.8
277.12387	2.4
277.15933	2.5
278.16498	2.5
279.13895	3.4
281.15460	2.4
281.19009	3.1
291.13699	4.7
293.15268	4.8
299.19913	2.6
301.12369	3.9
305.15186	2.4
305.19101	2.1
307.13333	2.4
307.16830	2.6
309.14975	3.0
309.18369	4.2
317.15210	3.2
323.19962	4.3
325.14304	3.4
327.19815	2.9
333.14774	5.8
333.18457	4.8
335.16409	4.7
335.20074	7.9
337.14203	2.5
351.19659	4.3
353.17267	3.1
353.21252	4.3
361.14145	3.5
361.18207	3.7
375.19556	7.3
377.21127	11.4
379.19232	11.1
393.20477	13.4
395.22208	9.9
397.20193	4.5
403.19043	10.6
421.20123	10.5
439.21164	24.2
499.23193	8.4
541.34998	7.9
559.25159	9.1
559.35852	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	558.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46838	3.6
55.01851	4.1
55.05502	12.8
57.03423	8.2
57.07077	26.8
60.40422	3.7
67.05500	26.6
69.07062	12.8
69.44171	3.4
71.04936	3.5
71.08622	20.2
71.18193	7.1
79.05494	16.7
81.03407	46.5
81.07056	22.7
83.04980	15.5
83.08607	23.9
85.02906	16.2
85.10180	6.2
91.05511	21.1
93.07040	10.1
95.04964	15.8
95.08611	18.3
97.10162	6.8
105.07035	14.0
107.08630	4.8
109.10136	8.9
111.08076	6.3
119.08566	10.2
121.10161	7.6
125.02821	4.6
129.07022	7.8
131.08554	4.8
133.10191	5.7
137.19798	3.6
139.38423	3.5
147.11647	9.8
149.09627	6.8
157.10101	9.8
175.11188	9.2
193.12282	31.8
211.13272	65.5
264.27817	3.9
265.46481	3.7
267.15805	8.2
285.16974	46.7
313.27335	72.4
397.87766	4.5
505.39398	7.0
523.39978	100.0
524.40466	4.3
558.53516	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	559.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01874	0.8
55.05496	1.1
60.04515	0.7
64.64046	0.4
65.03936	0.7
67.05479	0.5
69.03425	2.9
70.06588	3.8
70.57061	1.1
70.57433	0.9
71.04993	0.8
72.08151	1.4
77.03919	0.5
79.05470	1.3
81.03413	5.9
82.06577	4.0
83.04978	0.6
83.06892	0.7
84.08153	2.4
85.02906	3.0
85.07632	0.4
86.09706	4.1
89.03891	0.8
89.70927	0.5
91.05479	16.8
93.07030	0.7
95.04948	0.7
95.08592	0.5
97.02861	0.8
99.04448	0.9
100.07619	0.9
103.05454	1.8
105.03395	1.8
105.07094	1.1
107.04939	0.9
107.08613	0.6
109.02884	3.5
115.05443	2.5
115.83731	0.4
117.05753	1.5
117.07014	1.1
119.04936	27.5
120.05323	0.5
120.08095	1.3
121.02863	1.5
121.06559	0.8
121.10131	1.0
122.06004	0.6
123.08052	0.5
127.03890	2.1
128.07080	21.2
129.07430	4.8
129.10219	0.6
130.52771	0.4
131.04907	1.5
131.08582	0.4
132.02055	0.7
132.08096	3.2
133.05197	0.9
133.06480	0.8
133.10109	0.6
134.05997	1.9
135.04364	0.6
142.06485	0.5
143.07323	0.6
145.02855	0.7
145.06494	2.2
145.10068	0.5
146.06026	6.5
147.04408	24.6
147.06779	0.8
148.07564	24.9
155.06053	0.6
157.03966	2.1
159.06784	0.4
160.07573	82.9
161.07887	0.8
163.03912	0.5
164.04703	1.0
167.07056	4.5
170.05992	1.7
172.07535	1.1
173.05936	2.3
175.03906	52.4
176.04427	0.9
179.06993	2.1
184.07631	1.5
186.05502	3.0
188.09193	0.7
190.08632	1.5
191.06976	0.6
191.11784	26.5
192.04213	1.0
192.12170	0.6
201.05324	0.4
202.08627	1.0
205.08630	1.6
206.04466	0.6
207.06522	100.0
208.06894	1.8
212.07126	1.2
214.08636	0.7
219.06523	1.9
221.08084	0.5
233.12927	0.5
238.08609	0.9
245.08263	0.8
295.06186	0.4
308.09167	0.5
315.16470	0.6
322.12952	0.5
324.12289	3.8
332.13412	1.9
333.13675	1.1
335.09061	0.6
348.12405	0.5
350.14575	0.9
351.10800	4.6
351.14590	1.1
351.66772	0.5
353.17191	3.2
353.21213	0.8
366.13397	8.5
369.11746	5.9
371.22733	0.6
390.12921	0.5
397.17484	1.2
408.14319	0.8
498.17719	0.6
510.17462	0.6
515.24817	0.7
524.15356	0.6
528.18701	1.2
542.16302	2.5
559.22644	44.3
559.29492	4.3
560.23181	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.1
55.01876	2.7
55.05305	0.9
55.05513	9.6
55.16619	0.9
56.05027	4.1
57.03426	2.3
57.07072	3.9
57.85642	0.9
60.04032	1.2
60.04534	39.2
65.03931	1.3
66.53313	0.8
67.05506	31.3
68.05847	1.0
69.03413	0.9
69.07068	12.5
70.06586	2.7
71.04982	3.2
71.53640	1.2
79.05065	1.7
79.05495	21.2
80.05006	2.4
81.03418	5.8
81.07057	28.8
82.06580	2.6
82.07375	1.0
83.04977	4.0
83.08610	5.7
85.02914	1.4
85.06559	2.7
91.05486	17.1
93.07043	26.6
93.07631	1.3
94.06564	3.7
94.07392	1.3
95.01339	1.8
95.04971	6.0
95.07340	1.7
95.08607	21.8
95.45799	0.8
96.08141	2.8
97.06530	5.9
97.10167	3.1
98.06043	0.8
100.03976	2.2
105.07032	13.3
106.06552	1.0
106.07345	1.6
107.04962	5.1
107.08591	13.3
108.08092	1.2
108.08890	1.3
109.06515	2.1
109.10157	8.6
111.08082	1.5
112.07597	1.6
117.07002	7.1
119.08588	11.4
120.08882	1.0
121.06493	2.4
121.10140	12.1
122.09589	1.5
123.08084	2.2
123.11720	3.3
129.06950	1.5
131.04955	1.3
131.08569	9.4
133.06476	1.3
133.10123	8.6
135.11687	19.9
137.09657	1.1
137.13193	1.2
143.08549	1.9
145.06476	1.3
145.10130	11.8
146.10512	1.1
147.11665	5.3
148.11122	1.2
149.09598	1.1
149.13281	2.0
153.12727	1.5
155.08536	2.2
157.10126	2.0
159.11685	3.9
161.05975	2.8
161.13261	3.2
163.11174	6.0
169.10109	1.7
171.10008	0.9
171.11647	1.6
173.09601	5.2
173.13255	2.2
181.10057	1.2
181.10654	1.1
181.12241	9.1
182.10355	1.0
187.14792	1.8
189.16264	0.9
191.10681	4.1
196.12093	1.0
199.13254	7.4
208.13438	1.2
209.11710	7.2
217.14301	0.9
226.14421	5.1
227.12659	4.3
231.21097	1.1
232.13547	1.1
243.21024	2.8
244.06068	1.7
244.15472	3.6
248.23727	1.7
250.14433	2.5
260.23709	18.9
260.26212	1.2
261.22119	3.5
262.16449	1.7
268.15475	3.9
272.05469	1.1
275.20010	1.3
276.20410	1.6
276.23196	0.9
278.24753	13.8
282.83490	0.8
286.16486	3.4
286.22171	1.0
296.25925	5.8
304.17194	1.2
336.25308	1.0
354.17984	1.0
356.32007	1.2
362.14532	0.9
394.20978	0.9
456.34604	1.2
466.33887	1.5
468.34451	2.3
486.35684	4.7
492.37067	0.9
504.36765	11.0
522.37866	33.1
540.38934	100.0
541.39178	2.6
558.22742	1.4
558.40277	13.0
559.36279	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.01868	17.7
55.05515	14.1
57.03428	5.8
57.07069	5.0
59.04984	1.9
65.03935	3.4
67.05502	22.5
68.99778	3.1
69.03429	31.2
69.07071	30.0
70.06596	8.4
71.04992	6.8
73.02907	3.8
74.20911	1.5
76.63324	1.4
79.05490	26.2
81.03418	30.9
81.07056	96.1
82.06578	2.6
82.07375	1.7
82.90488	1.3
83.04979	12.1
83.08622	8.9
84.08135	2.0
85.02905	40.3
85.06541	36.3
86.09706	2.8
87.00832	9.8
91.05481	20.3
93.06476	3.0
93.07043	37.5
95.04978	22.8
95.08606	52.5
97.02892	16.4
97.06528	11.4
97.10159	5.7
99.04443	9.8
99.08110	7.0
105.01866	16.3
105.03387	5.7
105.07034	26.1
107.04948	6.3
107.08590	30.0
108.08987	1.5
109.02866	19.3
109.06516	10.0
109.10152	31.2
110.06017	2.1
111.08078	100.0
111.11702	2.7
115.03905	1.7
117.07042	4.8
119.04930	4.2
119.08569	15.1
121.02885	2.7
121.06517	7.5
121.10140	25.0
123.04427	2.9
123.08036	4.3
123.11710	24.7
125.05993	4.5
125.09629	22.4
127.03905	32.7
127.07552	3.0
128.06233	1.8
128.07103	1.7
129.01845	1.5
129.06982	3.7
131.04926	2.3
131.08553	11.0
133.02869	1.8
133.06493	5.1
133.10130	9.4
134.05997	1.5
135.04448	4.4
135.08052	4.2
135.11679	16.1
137.05971	8.5
137.09615	2.7
137.13275	18.1
139.11183	7.4
141.07051	2.4
142.07716	1.8
143.07059	3.1
143.08583	5.8
145.04904	9.9
145.06488	4.7
145.10120	21.4
147.04422	4.5
147.08078	4.0
147.11647	8.5
149.05974	3.0
149.09598	4.5
149.13229	14.4
151.03912	4.9
151.07564	3.9
151.11227	1.8
153.09045	1.7
153.12744	3.8
155.07106	1.7
155.08545	1.9
155.14313	1.9
156.06607	4.2
157.06569	2.6
157.10130	3.7
159.02882	4.7
159.08014	3.7
159.11682	14.6
161.06024	2.1
161.09608	3.3
161.13257	6.9
163.03937	2.9
163.07573	3.1
163.11160	15.9
163.14836	5.5
165.12764	2.6
167.07069	2.4
167.14340	2.5
169.08850	1.9
169.10182	6.2
171.08122	1.4
173.09631	10.9
175.03886	2.1
175.07471	2.5
175.11191	2.2
177.05437	1.9
177.12677	1.7
177.16382	4.4
179.14265	3.1
181.10172	2.4
183.11650	1.5
185.09583	1.9
185.13350	2.0
187.07547	1.6
187.11189	19.0
189.05389	1.6
189.09013	1.6
189.12837	2.3
189.16225	1.8
191.10638	10.3
191.17944	4.3
195.08075	1.6
195.11786	1.8
197.09633	3.2
197.13110	1.7
199.11093	1.8
201.09091	1.9
201.16452	1.6
203.18011	2.9
205.12247	8.4
207.06511	3.7
208.07028	1.9
209.21144	1.4
211.14769	1.6
213.03827	2.4
215.10631	16.0
217.08624	2.2
217.19749	1.9
228.06471	2.6
231.04967	6.5
231.10083	2.2
233.11629	10.8
235.20593	18.4
249.06070	3.1
251.12767	6.5
256.14127	2.1
257.11786	1.6
269.11719	3.5
271.06033	3.7
273.14957	2.4
273.25729	2.0
274.14969	1.5
283.05984	11.8
287.12906	2.1
291.26819	63.1
292.16330	2.7
293.08176	1.7
293.13922	1.6
295.06110	1.8
309.20578	1.7
309.24527	2.1
309.27887	6.4
325.10849	2.6
331.11615	2.0
335.15045	1.8
353.10165	17.3
359.14880	3.0
377.15918	5.6
395.17184	7.9
539.20764	2.3
539.32513	1.8
557.23572	6.6
557.33252	2.2
580.16882	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	557.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.4
57.07074	26.7
59.04974	5.5
64.52738	2.9
65.03903	2.6
67.05498	9.3
69.03429	6.6
69.16924	2.9
69.50026	21.4
79.05486	10.4
81.03438	14.0
81.07058	5.7
83.04980	4.9
85.06540	7.7
91.05479	16.8
93.07032	11.2
95.01326	62.3
95.04980	27.3
95.08595	5.1
95.16296	2.7
103.05480	5.0
105.07034	44.5
107.04935	5.6
107.08612	7.4
109.06506	4.9
109.10144	4.9
115.05397	3.4
117.07027	4.1
119.08582	17.3
121.02821	3.0
121.06469	5.7
121.10159	5.0
128.06219	6.8
129.07002	10.8
131.04906	4.8
131.08554	12.9
133.06474	30.4
133.10130	13.0
142.07813	5.2
143.08548	22.4
145.06490	7.7
145.10110	15.0
147.08055	6.8
147.11667	9.3
149.05980	4.9
155.08517	13.1
156.09384	3.6
157.10165	13.6
159.04555	2.9
159.08099	3.6
159.11702	8.1
161.05981	100.0
161.09644	5.1
161.13239	5.3
163.07619	5.7
165.07138	3.3
167.08542	7.9
169.06519	3.7
169.10132	14.3
171.08044	13.7
171.11784	13.2
173.09584	6.6
175.07538	11.9
179.08530	5.4
181.10144	11.8
183.11743	15.2
185.09621	7.3
185.13254	10.4
187.07536	6.2
187.11201	6.9
189.05490	5.5
189.12758	5.7
191.03403	6.1
193.10132	4.7
195.08148	4.3
195.11642	4.2
197.09657	8.7
197.13283	6.5
199.11188	3.8
199.14760	2.8
201.09087	7.1
201.12723	3.4
203.06990	3.5
203.43141	2.8
205.04922	8.7
205.10248	6.0
207.11745	11.1
209.09569	9.0
209.13321	6.4
211.07455	3.0
211.11234	5.8
213.09073	6.3
213.12724	5.3
215.10762	5.1
217.10136	3.1
219.06335	4.3
219.11707	6.6
221.09724	4.7
221.13211	5.8
223.11220	4.5
225.09116	3.6
225.12854	5.5
227.10567	5.1
227.14296	3.4
231.14072	3.7
235.11176	4.7
237.09160	3.5
237.12708	9.3
239.10652	6.9
245.15335	3.9
247.11084	4.9
249.12662	4.4
253.12190	5.4
257.11942	3.1
259.11102	3.6
263.10883	3.1
263.14142	4.0
265.12131	5.6
267.13821	3.7
273.12888	3.6
277.12244	3.8
287.14218	4.1
289.12375	3.2
290.12616	2.4
291.13751	4.7
293.11749	9.7
293.15201	4.5
305.15451	3.8
307.16852	3.4
309.18585	3.6
317.15338	4.8
319.16907	6.1
331.13193	5.2
331.16638	3.6
333.14746	7.8
333.18414	7.2
335.16290	20.2
337.14551	4.1
345.18179	3.6
351.19864	3.7
353.17438	24.6
361.14386	11.7
373.18161	4.7
375.19562	8.6
377.17456	9.7
379.15402	12.8
391.19058	5.3
393.20615	20.8
395.18668	24.7
397.16388	5.6
401.17136	4.2
409.19901	4.5
411.21545	7.4
419.18387	5.2
437.19461	12.4
455.20621	20.5
473.21555	3.7
498.09619	3.0
557.27386	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01874	5.6
55.05492	3.0
57.06794	1.9
57.07075	35.9
59.05001	6.3
65.03915	2.2
67.05505	10.4
69.03411	4.1
69.07055	3.1
69.51548	8.0
79.05486	12.1
81.03410	10.4
81.07050	6.9
83.04975	1.9
83.08622	1.9
85.02859	0.9
85.06528	3.4
86.76658	1.1
91.05485	16.1
93.07048	10.4
95.01327	64.9
95.04968	33.8
95.08591	4.1
97.06519	1.8
98.21463	1.9
103.05463	6.3
105.04522	1.0
105.07027	51.3
107.04949	4.4
107.08599	4.9
109.06476	7.0
109.10136	3.5
112.08035	1.0
115.04693	1.0
115.05448	4.6
116.06110	1.0
117.07022	7.3
119.04908	2.2
119.08575	19.2
121.02879	1.9
121.06496	8.0
121.10136	3.9
123.04408	2.4
123.08046	2.7
125.05960	1.1
128.06227	6.3
128.07007	1.0
129.07002	8.7
130.07724	1.9
131.04909	3.1
131.08572	14.3
133.06490	34.6
133.10114	7.9
135.04382	1.6
135.08008	3.1
135.11664	1.9
137.06010	1.7
141.07001	5.4
142.07776	5.7
143.08556	23.6
144.09241	1.3
145.02797	2.4
145.06465	7.7
145.10129	18.8
147.04332	1.3
147.08037	8.9
147.11693	9.3
149.06013	3.0
149.09579	2.4
151.07506	1.4
153.06973	1.9
154.07768	2.3
155.08557	13.6
156.09315	4.8
157.06491	3.3
157.10121	15.4
158.07214	1.2
159.04388	2.4
159.08066	6.9
159.11659	8.2
161.05978	100.0
161.09543	6.3
161.13297	7.2
163.07545	4.1
163.11214	1.0
165.07022	4.0
166.07817	2.7
167.08562	7.7
168.09348	2.5
169.06439	2.4
169.08696	2.0
169.10092	15.2
170.10883	2.4
171.08040	13.3
171.11694	15.3
173.06015	2.2
173.09619	5.9
173.13257	4.2
175.07571	11.8
175.11148	1.9
177.05450	3.5
177.09068	3.0
178.07791	2.3
179.07213	0.9
179.08522	5.8
180.09253	3.1
181.06413	1.5
181.10097	10.8
182.10904	1.7
183.08047	4.3
183.11714	11.6
185.06018	2.1
185.09561	7.3
185.13309	8.4
187.03918	1.1
187.07613	7.2
187.11240	5.5
187.14819	2.3
189.05409	2.3
189.09122	2.8
189.12683	5.7
190.07716	1.4
191.03406	3.6
191.08684	1.1
191.10587	1.5
192.09306	3.0
193.05038	1.1
193.10156	9.1
194.10867	3.6
195.08020	4.3
195.11670	9.3
196.12427	2.0
197.09595	6.9
197.13232	6.3
199.07513	2.1
199.11182	4.5
199.14807	3.3
201.05417	3.6
201.09027	3.8
201.12700	3.8
203.06972	2.8
203.08699	2.2
203.10628	2.7
203.14398	2.4
204.09274	2.1
205.04979	8.3
205.10118	3.4
205.12231	3.1
206.10881	4.3
207.08136	2.4
207.11700	8.9
208.08884	1.5
209.09636	6.6
209.13206	5.8
210.10333	1.3
211.07555	3.8
211.11183	7.7
211.14824	3.2
213.05446	1.4
213.09128	2.6
213.12663	4.8
213.16348	1.3
215.06863	1.5
215.08760	2.1
215.10760	2.7
215.14355	1.6
216.09335	1.6
217.05022	1.1
217.10123	3.4
217.12186	1.4
218.10938	1.6
219.06367	2.3
219.11696	6.2
219.13538	1.2
220.12390	1.6
221.09633	4.1
221.13240	4.6
222.10405	1.2
223.11171	3.6
223.14848	2.2
225.09041	3.1
225.12738	4.1
225.16428	1.2
227.06952	2.2
227.10640	6.1
227.14310	4.5
229.10315	1.9
229.12157	4.7
229.15729	1.5
230.10822	2.0
231.06448	1.9
231.11661	3.2
231.13837	2.5
232.08876	2.4
233.09619	3.5
233.13210	3.4
235.07457	1.8
235.11246	4.9
235.14973	2.3
236.11880	1.5
237.09077	3.6
237.12714	6.1
237.16406	1.3
239.10609	3.3
239.14270	4.1
241.12215	2.2
243.13821	1.8
245.13246	3.1
245.15453	2.2
246.10396	2.3
247.11140	4.2
248.08424	1.3
248.11812	1.8
249.09140	2.7
249.12636	5.4
249.14680	1.9
250.09801	1.5
251.10704	4.7
251.14302	2.8
253.08553	2.3
253.12320	4.7
253.15704	1.9
255.13802	2.9
257.15366	2.3
259.11182	2.6
259.14941	1.9
261.12723	3.8
261.16379	1.5
263.10706	2.5
263.14273	4.4
264.11319	1.5
265.12256	6.9
265.15738	3.1
266.13016	1.4
267.13800	3.9
269.11713	1.7
269.15375	1.5
271.09641	1.2
271.13367	2.2
272.11926	2.2
273.12601	1.9
273.15201	2.3
275.10718	2.3
275.14276	3.2
277.12534	2.1
277.15817	3.3
279.10196	1.8
279.13791	1.4
279.17444	2.1
281.11697	1.5
281.15326	1.3
283.13275	1.4
287.14218	2.3
289.12146	2.6
289.15894	3.5
291.10110	2.6
291.13739	4.1
291.17072	1.2
293.11664	8.8
293.15277	3.9
295.13162	1.4
295.16742	2.0
297.18430	1.3
301.14792	1.2
301.17792	1.1
303.13596	1.4
305.11990	1.4
305.15344	4.5
307.13333	2.9
307.16867	6.1
309.15100	1.4
309.18622	5.9
315.13699	4.4
315.19989	1.3
317.11810	2.0
317.15149	2.2
319.13611	1.4
319.17001	7.3
321.14960	1.6
323.16385	2.2
325.17789	1.7
331.13126	2.4
331.16864	2.9
333.14807	10.7
333.18475	6.2
335.16409	16.6
337.14209	2.4
347.19901	1.7
349.14148	1.5
349.18002	2.8
351.15857	9.3
351.19595	4.2
353.17487	27.0
355.17081	1.2
357.18472	1.3
359.12604	2.0
359.16617	3.6
361.14249	11.8
365.21188	2.6
367.18747	2.1
367.22714	1.4
369.16852	1.6
373.17841	4.6
375.19611	7.3
377.13937	1.1
377.17566	8.6
379.15341	11.4
391.18884	4.2
393.20596	22.3
395.18533	25.2
397.16495	7.8
401.17557	2.8
409.19913	4.6
411.21561	4.8
413.19458	3.1
419.18463	6.3
427.21375	1.4
437.19571	8.5
455.20618	23.4
557.27368	28.6
558.27802	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29981	8.0
57.07086	37.7
67.05505	25.8
68.63495	8.4
69.32236	72.5
69.32630	14.6
69.33263	7.3
71.68501	9.3
79.05509	17.8
80.85732	7.3
81.03407	25.8
81.07053	23.5
83.08620	9.3
88.26070	8.2
91.05471	25.8
93.07039	16.0
93.49216	7.9
94.78249	7.7
95.01333	82.5
95.04974	100.0
95.08626	14.1
97.36946	8.9
103.05473	10.9
105.03371	23.3
105.07030	54.3
107.08587	24.2
109.06558	12.5
115.05476	10.8
117.07016	16.4
119.08575	31.8
121.06493	10.3
123.08066	11.8
128.06229	10.0
129.07013	19.5
131.08586	23.7
133.06487	31.2
133.10086	11.3
143.08580	23.6
145.06496	11.5
145.10138	30.4
147.08044	17.6
147.11649	11.6
155.08543	15.0
157.10155	22.3
159.11719	19.4
161.06000	52.8
167.08540	11.6
169.10101	21.4
171.11693	11.7
175.07484	11.1
178.58736	8.5
179.08382	8.4
181.10043	11.8
183.08116	14.0
183.11700	23.1
183.70596	9.5
185.09747	11.3
185.13310	13.5
193.10220	13.3
195.11719	11.7
197.09656	11.9
197.13182	9.5
205.10156	11.1
211.11237	13.8
211.14717	10.9
225.16327	8.6
229.12318	12.7
321.18433	11.3
339.19550	8.9
351.15845	9.9
353.17575	12.6
367.19080	18.7
455.20627	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	557.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86946	4.1
51.97421	3.9
55.01868	6.1
55.05510	11.7
57.07076	41.7
59.04986	6.8
67.05511	25.0
69.03432	7.4
69.07049	14.5
70.28870	13.3
70.29274	7.3
76.01331	4.7
79.05498	31.3
81.03410	18.4
81.07056	18.9
83.04968	8.8
83.08630	5.3
85.06532	6.5
91.05502	26.9
93.07045	19.7
95.01335	100.0
95.04973	66.8
95.08600	15.6
103.05459	10.9
105.07036	50.9
107.04971	11.3
107.08595	12.9
109.06496	12.6
115.05481	9.8
117.07023	13.2
117.98987	5.2
119.08578	22.2
120.75114	3.8
121.06497	10.1
121.10167	7.8
123.04365	4.4
128.06221	8.6
129.07001	20.5
131.04935	7.2
131.08534	24.7
133.06508	22.6
133.10139	16.0
135.08031	5.0
137.05968	5.7
140.37929	4.1
143.08540	16.6
145.06470	15.3
145.10107	10.7
147.08035	14.2
147.11734	8.2
151.07416	5.3
155.08568	14.1
156.09372	4.7
157.06519	6.5
157.10071	10.6
159.08075	14.6
159.11624	5.2
161.05995	74.2
163.07527	5.3
165.06952	8.5
167.08560	11.6
169.10127	14.4
171.08015	12.5
171.11656	9.6
173.09599	8.6
175.07591	12.4
175.11177	6.2
179.08603	13.0
181.10110	10.9
183.08015	7.4
183.11728	12.1
185.09631	16.6
185.13211	9.0
187.07491	12.1
189.09096	6.9
189.12903	5.5
192.09447	5.0
193.10091	12.1
195.08023	11.7
195.11736	7.9
197.09590	11.1
197.13264	5.6
199.07565	4.6
201.09056	8.0
201.12697	4.9
207.11749	8.0
209.09621	9.9
209.13289	5.5
211.11180	12.6
213.12733	7.0
217.10199	4.9
221.13222	7.5
223.11198	7.1
224.07755	5.7
225.12614	5.0
241.12250	5.3
247.11163	7.2
249.12787	5.9
272.15063	4.2
277.12140	4.6
279.17606	5.4
345.18533	7.6
347.20004	5.2
361.13989	5.4
373.17752	5.4
393.20468	12.5
409.19983	6.3
419.18481	9.7
437.19504	41.1
455.20505	10.4
557.27271	10.0
557.34808	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.01868	6.0
55.05526	5.0
57.07076	48.4
59.04995	7.0
65.03938	2.5
67.05511	26.0
69.03424	6.3
69.07063	7.4
71.05023	2.6
73.46291	2.1
75.23776	2.6
79.05502	17.5
80.72072	2.0
81.03402	19.9
81.07065	13.8
83.08630	3.2
85.06537	3.8
91.05482	25.5
93.07058	21.5
95.01334	77.1
95.04972	100.0
95.08611	7.7
97.02885	2.7
103.05495	7.1
105.07034	48.7
107.04984	9.2
107.08596	25.2
109.06519	8.1
109.10148	4.7
115.05450	5.1
117.07024	9.8
119.08588	29.8
121.02892	3.7
121.06461	10.6
121.10143	10.7
123.04432	3.4
123.08076	3.6
123.27028	2.1
128.06233	10.2
129.07011	16.8
130.07802	2.4
131.04951	5.1
131.08566	28.8
133.06514	16.2
133.10133	14.6
135.08058	5.4
135.11700	4.5
137.05975	4.6
141.07039	9.8
142.07784	10.8
143.08557	28.4
144.09357	3.1
145.02869	7.2
145.06490	11.7
145.10126	29.3
147.08063	9.0
147.11693	12.4
149.09641	7.2
152.06242	2.4
153.07059	3.6
154.07719	3.5
155.08545	18.8
156.09383	7.3
157.06482	4.6
157.10130	25.4
159.08073	14.3
159.11716	20.9
161.05983	50.8
161.07275	3.5
161.09651	5.3
161.13260	9.8
163.03967	2.9
163.07550	5.3
165.07010	7.6
166.07788	4.3
167.08572	12.8
168.09323	6.5
169.06480	4.3
169.10126	28.0
170.10863	5.1
171.08083	14.7
171.11674	19.5
172.08763	2.4
173.09645	9.6
173.13252	12.9
175.07568	10.3
175.11198	2.9
177.05464	3.6
177.09151	2.5
178.07813	5.4
179.08586	8.7
180.09326	4.1
181.10114	16.9
182.10889	5.7
183.08150	6.9
183.11697	25.2
185.09708	10.9
185.13242	14.6
187.07562	7.2
187.11230	8.9
187.14841	4.1
189.05478	3.6
189.09135	3.0
191.03369	12.1
191.08600	2.4
191.10680	3.4
192.09351	3.8
193.10086	10.4
195.08080	6.9
195.11816	11.9
196.08762	2.8
196.12488	5.3
197.09622	9.2
197.13298	11.3
199.07506	5.6
199.11214	6.2
199.14821	7.3
201.09126	12.6
201.12746	7.5
203.06976	3.3
203.08667	3.0
203.10492	2.3
204.09273	4.1
205.04982	10.0
205.10205	3.3
206.10942	6.5
207.11740	8.2
209.09637	4.7
209.13275	9.6
211.11243	9.0
211.14815	5.8
213.09142	6.6
213.12749	5.3
215.10631	3.4
215.14352	9.5
215.18042	4.8
218.10956	3.4
219.08131	2.7
219.11737	8.6
220.12570	2.6
221.09792	4.5
221.13322	9.6
223.07654	2.4
223.11279	7.3
223.14842	3.2
225.09167	4.6
225.12773	6.8
225.16412	6.4
227.10759	4.3
227.14375	4.4
229.10240	3.2
229.12231	7.5
231.11612	5.0
231.13747	3.7
232.08852	2.5
233.09758	4.6
233.13400	5.3
234.10431	2.8
235.07471	2.2
235.11160	7.2
235.14946	5.2
237.09033	2.7
237.12820	8.0
239.14319	4.0
241.12357	4.1
243.13927	3.2
243.17444	10.3
245.13345	5.2
247.11218	6.2
247.14981	3.9
248.12010	3.2
249.12749	6.2
251.10727	4.5
251.14267	4.8
253.08574	3.1
253.12321	5.2
253.16037	3.3
255.13895	4.4
261.12772	6.0
263.10709	5.5
263.14230	4.8
265.12427	3.4
267.10028	2.4
267.13882	3.0
273.12543	3.3
275.14304	2.5
277.15952	4.4
279.13940	3.3
279.17468	3.6
281.11835	2.4
281.15271	3.2
285.18445	2.3
291.13803	2.6
293.18994	5.6
295.16861	3.6
303.17267	3.3
305.15396	3.6
307.13449	3.8
307.16684	3.1
309.18561	2.9
321.18420	12.9
323.16577	3.9
323.20117	4.2
333.14810	5.9
335.16525	6.6
339.19534	3.9
349.18015	7.5
351.15842	3.9
351.19540	3.3
353.17651	5.8
361.14209	3.3
367.18985	22.4
379.15372	4.7
393.20511	5.0
395.18521	7.4
401.17502	3.6
409.20239	4.5
411.21793	4.5
427.21191	4.8
437.19821	3.9
455.14371	2.7
455.20770	45.7
557.27594	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	557.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	23.4
59.04958	9.8
62.88419	8.2
67.05482	17.4
67.06390	9.6
68.69653	9.0
71.18715	12.4
79.05479	17.3
85.06557	15.6
87.48019	9.8
91.05466	29.6
95.01334	96.3
95.04983	50.0
95.08553	12.3
101.96873	10.2
103.05479	10.6
105.07019	59.5
117.06982	13.6
119.08604	12.2
121.06518	9.6
129.06931	15.1
131.08575	16.3
133.06493	15.1
141.06975	14.0
143.08536	18.0
145.06493	11.5
145.10138	16.2
147.07997	12.3
157.10164	12.2
161.05986	100.0
165.06992	18.4
166.07724	15.8
171.08089	13.0
175.07471	20.7
179.08461	11.5
183.08032	13.9
183.11618	12.1
187.07466	16.3
193.10066	13.6
197.09616	11.8
205.04849	11.2
206.10782	11.7
207.11583	11.6
209.09673	16.3
211.11180	11.3
223.11057	11.3
239.14680	9.7
419.18515	13.7
437.19748	55.4
455.20453	17.1
518.56519	10.9
557.27014	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.1
53.39822	2.3
55.01861	5.4
55.05508	8.1
57.03423	4.9
57.07067	3.1
67.05508	18.3
69.03431	24.4
69.07069	16.7
70.06589	9.4
70.27447	2.5
70.27782	9.3
71.04998	8.2
73.02924	4.7
77.03922	3.3
79.05477	15.7
81.03420	24.0
81.07056	36.8
82.07357	2.7
83.04969	8.6
83.08585	3.5
84.08168	3.7
85.02900	29.5
85.06547	9.6
86.09666	2.8
87.00842	3.9
91.05496	16.5
93.07051	20.1
95.04960	17.3
95.08600	20.9
97.02898	17.9
97.06526	11.9
97.10175	2.7
99.04453	8.6
99.08150	3.7
100.37866	2.4
103.05505	2.7
105.03390	9.0
105.07037	28.0
106.07418	2.4
107.04966	11.3
107.08580	21.4
109.02873	18.2
109.06545	14.3
109.10153	13.4
111.04433	3.0
115.05433	3.5
116.00768	2.4
117.07008	7.2
119.04937	5.7
119.08565	13.5
121.02837	3.0
121.06507	11.4
121.10155	9.7
123.04427	4.5
123.08036	4.4
123.11713	9.7
125.05991	4.6
125.09631	3.5
127.03915	26.2
127.07573	3.7
128.06273	3.3
129.06964	3.4
129.09193	3.6
131.08551	13.2
133.02850	27.1
133.06483	7.2
133.10138	6.0
135.04407	21.8
135.08026	4.7
135.11737	4.7
137.05984	10.9
137.09573	3.2
139.07545	2.9
139.11145	4.4
141.07019	3.9
143.08551	7.6
145.04974	5.1
145.06500	7.8
145.10121	28.9
147.04395	6.8
147.08014	5.5
147.11697	7.1
149.06001	5.5
149.09566	2.6
149.13313	3.2
151.03915	14.5
151.07574	4.1
154.07738	3.1
155.08545	3.2
157.10146	3.6
159.08046	13.2
159.11655	14.6
161.06012	3.8
161.09613	10.4
161.13268	4.1
162.05513	15.7
163.03877	2.7
163.05843	2.6
163.07599	3.1
163.11182	31.0
165.05498	4.3
169.06404	3.4
169.10133	6.0
171.08078	5.3
173.09639	15.4
175.07590	7.0
177.09048	11.8
179.08591	2.4
181.04932	2.5
185.09637	6.4
187.07518	3.8
187.11154	26.4
189.09108	4.6
189.12767	2.7
191.10678	11.3
197.09642	4.0
199.07600	2.7
199.11223	3.1
199.99280	2.4
201.09198	3.5
203.10666	9.9
205.12296	8.4
207.06558	5.6
213.12708	4.2
215.10680	23.9
217.08536	4.1
233.11722	22.0
251.12784	11.4
255.13841	24.4
271.06058	9.3
273.14853	100.0
273.17847	5.6
291.15948	32.1
309.27661	3.1
316.65933	2.6
328.82172	3.1
331.15353	3.3
349.16623	3.5
359.14999	7.1
377.15594	14.2
395.16895	16.8
411.13635	3.5
417.19086	5.6
435.20261	5.1
507.19232	2.9
539.21198	5.9
557.21820	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	556.9649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13264	0.3
52.46912	0.3
56.96562	5.0
67.01218	0.3
67.47645	0.3
69.81860	1.6
71.95242	1.0
82.96385	0.3
98.97578	51.4
99.97904	0.5
116.98618	47.5
127.63998	0.3
130.93274	0.7
134.99652	25.4
140.00200	1.4
153.00734	3.9
154.93324	0.5
158.01247	1.7
168.85330	0.4
172.94318	2.0
190.95409	4.0
197.95242	0.5
208.96439	1.4
214.95346	2.2
230.93370	0.4
232.96465	8.2
248.94359	0.7
250.97499	5.5
256.96396	15.0
258.99792	0.8
266.95520	0.7
272.94470	0.6
274.97501	100.0
275.97833	1.0
276.98080	0.4
277.00748	1.9
290.95569	2.1
292.98544	78.3
293.98907	0.8
297.99124	6.1
301.01102	0.5
308.96671	0.4
310.99500	0.8
314.95444	1.0
316.00116	3.6
316.98944	1.5
318.98834	0.5
332.96719	1.8
335.88547	0.4
348.94543	0.6
359.00067	0.4
390.95496	0.7
398.97556	3.3
401.00763	0.4
406.93469	0.5
414.95325	26.4
415.95728	0.6
416.98636	9.2
432.96426	48.2
433.96674	0.7
435.00040	2.0
440.00223	1.1
450.97446	9.2
455.98035	5.8
456.97141	0.8
457.96530	0.4
472.94464	1.4
473.98993	1.0
474.97986	0.5
514.96661	1.8
532.98328	0.4
556.96533	13.3
557.96338	0.9
574.97443	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	10.2
55.15227	1.8
55.54509	1.8
57.03432	7.4
57.07078	41.4
58.06587	2.3
67.05511	14.2
69.07071	9.5
70.06595	10.6
71.04991	2.5
71.08637	25.6
71.52723	2.4
72.08131	2.2
73.02914	2.6
73.14715	2.1
79.05495	19.7
81.07059	21.8
83.04990	2.1
83.08617	9.2
84.08151	3.6
85.10191	11.6
86.00056	1.9
88.07616	2.2
89.06027	7.9
91.05492	6.6
93.07044	22.0
95.04969	3.6
95.08613	31.2
97.02896	3.1
97.06560	2.5
97.10162	3.5
104.10755	4.8
105.07049	2.6
107.04958	7.2
107.08600	15.2
109.10165	5.9
117.07075	3.9
119.08578	5.0
121.06507	2.1
121.10149	8.2
125.06028	2.3
132.10197	6.4
133.08604	3.9
133.10153	2.8
135.11685	23.7
140.38647	2.0
145.10144	13.2
146.11760	5.4
163.11180	28.6
173.29654	1.8
174.31229	2.3
181.12244	4.5
205.20447	1.9
227.12773	41.2
256.26382	7.1
257.24728	3.6
272.25900	3.4
283.15387	31.9
283.26334	52.5
300.29004	23.5
311.29471	3.2
313.27365	49.4
313.30753	3.5
430.64337	2.0
521.38409	32.6
556.52991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.4
57.07094	3.3
67.05501	7.5
69.07054	2.2
71.54070	4.2
81.07045	14.7
85.06532	6.8
85.10181	2.4
89.06026	7.4
93.07040	6.2
95.08591	8.0
103.09558	2.5
104.10722	9.0
107.08609	2.8
109.10164	3.6
110.98370	2.0
121.10142	10.0
133.08614	3.5
135.11678	3.0
149.13243	2.7
175.03894	19.1
203.03410	10.7
218.02106	17.2
229.05054	2.3
231.02882	100.0
232.03488	2.4
233.04425	73.1
299.09149	19.5
311.29398	2.5
317.10202	45.2
342.21729	2.5
354.13773	3.5
556.52618	6.3
557.32294	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	556.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01880	0.4
55.05505	0.7
56.05030	0.6
57.03448	0.4
67.04262	0.4
67.05506	0.5
69.03417	1.3
69.07046	0.4
69.59324	1.7
70.06596	4.0
71.05003	0.5
72.08160	0.8
74.06085	0.8
74.37189	0.3
79.05501	0.9
81.03414	1.0
81.07049	0.9
82.06582	12.2
83.04964	0.4
84.04510	0.4
84.08144	1.0
85.02901	1.7
85.06545	0.4
86.09686	1.0
91.05484	2.4
93.07035	0.8
95.04972	0.9
95.06123	0.3
95.08613	0.6
97.02905	0.7
97.06506	0.3
99.04473	0.3
100.07631	3.4
103.05463	0.6
105.07033	4.1
106.04197	0.2
107.04926	0.4
107.08589	1.1
109.02892	0.9
109.06516	1.2
109.10096	0.4
110.07142	0.3
111.04489	0.3
112.07610	0.4
114.36547	0.2
116.07090	0.4
117.07024	0.8
119.04922	0.3
119.08581	5.0
121.06608	0.3
121.10139	0.9
123.08102	0.6
123.11720	0.7
124.07626	0.3
127.03941	0.7
128.07080	100.0
129.07468	0.6
131.04994	0.3
131.08582	0.4
133.06490	0.4
133.10184	0.4
136.07579	0.5
137.06046	1.3
142.08638	1.9
145.10107	0.6
147.04416	0.7
147.11685	4.0
149.05946	0.5
149.09634	0.5
153.05595	0.3
163.03902	0.4
163.11172	0.3
167.07050	0.7
168.06596	0.6
170.08221	0.3
175.03896	0.4
177.05525	0.6
178.08727	0.3
186.07541	0.4
188.09178	3.0
189.09117	0.4
189.12741	0.5
191.07002	0.4
206.08147	1.1
207.06528	0.6
207.13857	0.8
209.08064	0.5
225.07626	0.5
226.93184	0.3
230.10063	0.3
233.11719	0.4
235.09773	0.5
241.72325	0.3
244.11858	0.3
257.62094	0.3
291.09854	0.3
296.11450	0.4
304.13995	1.8
305.70892	0.3
314.12341	0.9
332.09528	0.4
332.13403	5.7
350.14450	50.8
351.14816	0.8
394.18433	0.5
556.27307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.5
55.01846	4.8
55.05511	7.9
57.02346	4.0
67.05511	16.2
69.03434	17.7
69.07075	16.0
70.06595	100.0
77.03889	3.3
79.05502	14.3
81.03411	16.8
81.07050	24.3
83.05020	3.7
83.08613	7.3
84.04514	5.0
84.08149	4.2
85.02898	17.8
86.09693	3.3
91.05483	13.9
93.07038	15.1
94.96727	3.1
95.04980	19.0
95.08609	21.0
95.25076	3.3
97.02880	9.8
97.06529	5.5
99.04459	4.8
105.01915	3.2
105.03397	8.4
105.07020	19.1
107.04950	5.5
107.08608	10.7
109.02866	13.7
109.06510	8.1
109.10151	13.5
112.07608	13.9
117.06982	4.2
119.04884	3.7
119.08582	15.9
120.08115	3.3
121.02839	3.2
121.06483	4.6
121.10138	7.0
122.09698	4.6
123.08033	3.8
123.11749	4.1
127.03919	11.3
128.06181	4.5
129.07028	4.0
130.08945	2.5
131.04927	4.0
131.08556	9.8
131.14688	2.8
133.02850	25.7
133.06462	6.5
133.10110	7.6
134.06020	3.2
135.04411	10.1
135.08034	3.2
135.11694	5.2
136.07506	4.5
143.08563	4.9
144.05669	3.3
145.06506	8.7
145.10123	10.0
147.04366	4.9
147.08084	8.9
147.11694	6.1
149.05984	4.0
151.03928	20.9
151.07500	3.7
157.10155	5.0
159.08044	6.1
161.06036	4.6
162.05515	8.4
163.11223	5.6
163.14832	3.4
169.10182	4.7
171.08081	9.2
173.09662	11.5
175.03951	3.8
175.07622	8.6
175.46231	3.4
185.09537	6.0
187.07643	4.6
187.11218	7.7
199.07558	10.4
213.09114	11.6
215.10567	7.7
233.11766	5.1
238.10791	4.5
255.11430	3.6
255.13808	81.1
271.13394	3.7
273.14862	7.1
274.12976	5.6
292.13956	10.5
308.26581	3.4
309.17938	3.2
334.19427	3.9
336.12817	27.3
381.17160	4.5
399.18030	10.2
417.19193	10.6
494.56467	3.2
534.29028	3.1
556.20856	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	556.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.8
55.01875	3.3
55.05505	6.0
67.05505	11.5
69.03412	7.1
69.07061	6.7
69.79848	5.0
69.80252	11.0
70.06578	9.3
71.05013	2.6
74.03340	2.3
77.03932	4.6
79.05494	9.0
81.03407	16.8
81.07066	13.6
83.04956	3.0
84.04491	2.7
84.08156	3.8
85.02878	5.8
91.05482	11.7
93.07028	6.6
95.04959	7.3
95.08599	12.5
97.02877	4.1
99.04457	4.5
105.03397	4.7
105.07020	9.4
107.04943	7.3
107.08566	4.7
109.02856	8.7
109.06509	3.7
109.10147	9.4
117.07036	2.4
119.04950	3.2
119.08591	6.9
121.02851	2.9
121.06542	5.0
121.10117	5.7
123.11726	3.7
127.03918	5.0
129.07037	3.0
131.08589	4.6
133.02849	28.2
133.06470	5.9
133.10095	4.1
135.04384	15.9
135.11702	2.3
143.08452	2.9
145.06474	6.0
145.10124	6.6
147.04402	6.1
147.08041	3.9
149.05959	4.6
151.03900	22.8
155.08504	2.6
157.06534	4.6
157.10115	3.3
159.04442	3.3
159.08063	6.9
159.11626	3.4
163.03931	3.2
169.10081	2.9
171.07996	14.8
173.09651	3.5
175.03951	3.2
185.05905	3.2
185.09605	3.0
187.07608	3.3
187.11078	3.6
189.05478	5.7
199.07503	3.4
213.09167	4.4
213.12735	13.9
215.10742	5.3
220.06967	2.7
227.14136	4.5
253.08398	2.8
253.12123	2.9
255.13800	100.0
256.14069	3.5
273.14905	20.1
289.14566	3.3
308.03177	3.0
377.16110	2.4
399.17923	8.8
417.19122	11.3
435.20047	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	556.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01880	0.4
55.05505	0.7
56.05030	0.6
57.03448	0.4
67.04262	0.4
67.05506	0.5
69.03417	1.3
69.07046	0.4
69.59324	1.7
70.06596	4.0
71.05003	0.5
72.08160	0.8
74.06085	0.8
74.37189	0.3
79.05501	0.9
81.03414	1.0
81.07049	0.9
82.06582	12.2
83.04964	0.4
84.04510	0.4
84.08144	1.0
85.02901	1.7
85.06545	0.4
86.09686	1.0
91.05484	2.4
93.07035	0.8
95.04972	0.9
95.06123	0.3
95.08613	0.6
97.02905	0.7
97.06506	0.3
99.04473	0.3
100.07631	3.4
103.05463	0.6
105.07033	4.1
106.04197	0.2
107.04926	0.4
107.08589	1.1
109.02892	0.9
109.06516	1.2
109.10096	0.4
110.07142	0.3
111.04489	0.3
112.07610	0.4
114.36547	0.2
116.07090	0.4
117.07024	0.8
119.04922	0.3
119.08581	5.0
121.06608	0.3
121.10139	0.9
123.08102	0.6
123.11720	0.7
124.07626	0.3
127.03941	0.7
128.07080	100.0
129.07468	0.6
131.04994	0.3
131.08582	0.4
133.06490	0.4
133.10184	0.4
136.07579	0.5
137.06046	1.3
142.08638	1.9
145.10107	0.6
147.04416	0.7
147.11685	4.0
149.05946	0.5
149.09634	0.5
153.05595	0.3
163.03902	0.4
163.11172	0.3
167.07050	0.7
168.06596	0.6
170.08221	0.3
175.03896	0.4
177.05525	0.6
178.08727	0.3
186.07541	0.4
188.09178	3.0
189.09117	0.4
189.12741	0.5
191.07002	0.4
206.08147	1.1
207.06528	0.6
207.13857	0.8
209.08064	0.5
225.07626	0.5
226.93184	0.3
230.10063	0.3
233.11719	0.4
235.09773	0.5
241.72325	0.3
244.11858	0.3
257.62094	0.3
291.09854	0.3
296.11450	0.4
304.13995	1.8
305.70892	0.3
314.12341	0.9
332.09528	0.4
332.13403	5.7
350.14450	50.8
351.14816	0.8
394.18433	0.5
556.27307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35576	0.7
51.02380	1.0
51.31188	0.7
53.03936	3.5
55.01859	2.6
55.05502	1.8
57.03428	1.6
57.07056	1.1
65.28526	0.7
67.05502	5.1
67.58814	0.8
69.03426	8.1
69.07064	6.5
70.06583	3.4
70.33681	1.5
70.34086	1.7
71.04992	2.8
73.02901	1.7
77.03916	3.4
79.05491	4.7
80.31735	0.7
81.02984	1.2
81.03419	11.8
81.07060	7.8
83.04961	2.2
85.02904	11.5
85.06534	1.4
87.00846	3.8
90.22958	0.8
91.05495	5.2
93.07053	4.9
95.01323	1.0
95.04956	3.1
95.08601	6.3
97.02890	7.2
97.06538	2.6
97.10162	0.7
98.20709	0.7
99.04453	3.5
99.54829	0.8
100.22383	0.7
103.05443	1.1
105.01850	2.3
105.03379	3.5
105.07020	5.8
107.04968	5.2
107.08611	4.2
109.02872	6.0
109.06503	2.6
109.10160	6.8
115.05457	1.1
117.07018	1.8
118.50121	0.8
119.04925	1.1
119.08598	4.2
121.02862	0.8
121.06488	2.5
121.10150	5.6
123.04435	1.1
123.11695	3.8
127.03919	8.9
128.06232	1.7
129.06999	2.0
131.08569	4.7
133.02850	39.3
133.06493	5.5
133.10098	3.5
135.04401	12.0
135.08058	1.2
135.11665	0.9
137.05951	0.9
139.11200	1.9
141.06975	1.2
142.07814	1.2
143.08536	2.6
144.05676	2.1
145.04935	3.0
145.06480	6.2
145.10143	2.6
147.04411	6.7
147.08057	6.6
147.11729	1.0
149.05949	3.8
149.09576	0.7
151.03908	22.0
151.07498	1.7
153.06941	1.0
157.06482	4.3
157.10043	0.9
158.07266	1.2
159.02908	2.3
159.08051	8.6
159.11699	0.8
161.05984	2.9
161.09636	5.1
163.07526	0.9
165.06961	0.9
167.06947	0.9
167.08424	1.1
168.16116	0.7
169.07623	0.9
169.10034	1.1
171.08035	8.7
173.05963	3.3
173.09634	9.2
173.64159	0.8
175.07547	5.4
177.05432	1.1
177.09134	7.4
183.08057	2.0
183.11586	0.8
185.09619	9.7
187.07545	9.5
187.11130	2.4
189.05487	1.0
189.09109	2.5
191.06975	1.7
193.04961	0.8
195.08090	1.5
197.09544	1.6
199.07550	9.7
199.11133	1.5
201.09116	0.9
203.10658	6.7
207.06557	1.4
209.09737	0.8
211.11098	2.4
213.09128	10.7
213.12598	4.0
215.10678	3.4
217.08568	1.3
220.08853	0.9
227.10706	1.5
227.14272	5.6
237.12708	1.9
255.13802	100.0
256.14142	2.2
273.14844	75.7
274.15268	1.6
291.15903	68.1
292.16196	1.6
297.14825	1.8
313.49268	0.8
315.15790	1.0
331.70453	0.8
336.12738	1.0
339.15656	0.8
363.16138	1.4
381.16968	2.6
399.17975	9.8
417.19052	12.5
478.38614	1.0
497.58542	0.8
521.20532	0.8
556.31824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05517	1.7
67.05499	2.1
69.03427	2.5
69.07064	1.7
69.74538	1.8
69.74927	1.9
70.06597	2.4
79.05516	1.7
81.03411	1.5
81.07054	2.8
85.02889	2.5
85.06549	1.0
87.00823	0.6
91.05477	2.0
93.07071	1.4
95.04979	2.0
95.08609	1.8
95.55982	0.8
97.02892	1.5
97.06548	0.9
98.20901	1.1
103.45039	0.8
105.03408	1.0
105.04374	0.7
105.07030	2.0
107.08617	1.9
109.02895	1.5
119.08633	1.0
120.39225	0.7
121.06498	1.1
127.03915	2.4
129.10323	0.7
131.08546	0.9
135.04404	2.4
142.07770	1.5
143.08585	1.4
145.06532	1.2
145.10112	2.0
147.04422	3.2
157.10132	2.8
159.04416	1.2
159.08046	1.2
163.11111	1.5
171.04391	1.7
171.08051	2.5
172.08861	2.7
173.05927	0.9
173.09641	1.8
177.05489	1.2
185.09608	8.8
187.07555	1.4
187.11212	2.0
189.09125	7.2
195.08086	1.4
198.06848	1.3
199.11235	1.3
201.05460	1.1
201.09120	12.2
207.06581	1.2
207.10222	0.9
212.08391	2.3
213.09114	24.2
215.10684	1.6
217.08655	0.9
222.10513	1.6
225.09090	1.5
227.10715	6.2
227.14259	8.3
231.10231	1.3
233.11714	1.0
237.12718	8.7
240.11517	5.8
241.11865	0.9
243.10301	1.3
245.11903	1.4
247.09702	3.0
249.11176	1.6
255.10298	3.4
255.13812	94.9
256.14166	2.0
269.15308	5.2
271.12766	0.7
273.11557	1.2
273.14828	6.4
297.14859	17.3
299.12643	1.0
312.49942	0.8
315.15915	100.0
316.16269	2.6
333.16959	4.1
394.21619	0.7
411.87451	0.7
438.29816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.5
55.01865	5.3
55.05515	6.6
55.51915	1.7
57.03430	4.2
61.02914	3.9
62.91995	1.8
67.05503	17.1
68.99786	2.4
69.03434	17.0
69.07059	7.0
69.32093	3.3
69.32417	15.6
69.97198	1.7
70.06587	7.9
71.04998	5.4
73.02914	5.5
79.05482	10.6
79.78409	1.5
81.03428	18.6
81.07059	20.0
83.08568	1.6
85.02908	37.3
87.00815	19.7
91.03962	1.9
91.05467	9.9
93.07044	7.5
95.04952	8.3
95.08614	25.1
97.02887	23.4
97.06545	1.9
99.04459	7.5
99.10000	1.9
105.01844	12.9
105.07030	16.7
107.04949	5.6
107.08598	6.6
109.02885	21.6
109.06523	3.0
109.09473	3.0
109.10162	38.1
111.11730	1.9
115.05463	2.7
117.07007	8.2
119.04969	3.0
119.08573	5.6
121.02905	2.6
121.06514	2.9
121.10134	11.0
122.09671	2.9
123.04360	2.6
123.08119	1.7
123.11718	17.9
127.03915	30.0
129.26215	1.6
131.08548	3.5
132.04483	2.4
133.02855	10.8
133.06488	8.7
133.10117	3.7
135.04408	4.2
135.11696	2.6
143.08565	2.2
145.04964	11.1
145.06528	4.0
145.10112	5.3
147.04395	4.1
147.08081	1.8
149.05943	2.3
151.03906	100.0
153.73865	1.7
155.08466	1.7
157.10117	1.8
159.02887	5.7
159.04414	3.2
159.08072	4.4
161.09557	2.5
163.03937	4.2
163.11226	1.8
165.05482	6.3
171.08025	4.0
173.09633	2.3
175.03889	20.9
175.07555	1.8
177.05515	12.1
178.05035	3.8
179.07092	1.8
185.09656	2.5
187.07530	2.2
187.11191	2.2
189.05467	40.5
189.09099	10.1
191.07030	6.8
203.07059	7.2
206.04478	7.8
215.10661	2.9
217.08606	12.5
231.04916	4.3
231.10210	4.5
255.13788	19.9
272.06155	1.9
273.14859	86.8
285.14926	3.3
291.15985	3.1
295.13205	2.4
315.15894	2.5
345.14688	1.9
363.15945	5.8
380.58737	1.8
381.17105	2.8
485.18210	2.7
503.19189	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	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	14.5
54.08490	4.9
55.01864	6.4
55.05496	12.1
61.02930	11.3
67.05505	39.9
69.03426	39.2
69.07056	21.0
70.06596	68.2
71.04996	9.5
71.51884	5.1
71.52274	6.3
73.02895	5.3
79.05507	23.5
81.03410	45.5
81.07056	45.9
83.04981	9.5
84.04501	5.8
84.08106	5.6
85.02900	63.7
85.06547	10.6
86.09703	7.6
87.00838	18.7
91.05450	25.0
93.07056	25.0
95.04963	29.2
95.08597	29.1
97.02894	33.9
97.06514	6.5
99.04461	21.2
105.01862	20.3
105.03397	12.2
105.07038	32.5
107.04956	9.4
107.08592	20.4
109.02898	38.3
109.06489	13.2
109.10159	46.7
109.60870	5.1
112.07590	9.9
117.07011	10.1
119.04918	6.2
119.08574	14.6
121.06483	8.7
121.10152	17.6
123.08092	9.3
123.11686	25.8
125.09647	16.1
127.03909	48.9
128.07057	5.4
129.01863	6.1
129.07002	5.8
131.08537	11.7
133.02855	10.8
133.06429	7.9
133.10126	10.6
135.04457	7.6
135.08078	7.9
135.11754	7.2
137.05984	11.9
143.08585	8.0
145.04973	28.2
145.06439	10.2
145.10104	24.0
147.04434	8.3
147.08070	6.7
149.05983	7.9
149.13374	4.8
151.03902	100.0
151.07533	11.6
151.36917	4.9
157.06482	6.4
159.02867	14.4
159.11694	10.3
161.09595	7.7
161.13136	5.0
163.11218	6.2
165.05510	9.2
171.08130	6.8
173.09596	10.2
175.03908	11.8
175.07570	7.3
177.05450	10.3
179.07071	5.7
185.09604	6.8
187.07480	7.3
187.11220	10.7
189.03917	4.9
189.05473	18.8
189.09158	14.0
191.06958	7.2
205.12413	5.4
206.04498	8.1
207.06580	6.8
215.10744	9.7
217.08559	14.8
231.10132	6.5
233.11760	12.2
249.18588	7.7
255.13824	15.6
273.14856	79.8
285.14819	6.9
337.08347	5.0
363.15677	5.4
474.92300	5.1
488.82935	5.4
556.24048	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	556.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
55.01868	7.4
55.05518	4.4
57.03409	5.3
59.93373	2.2
61.02914	2.5
66.99657	2.2
67.05495	13.1
69.03435	20.9
69.07066	7.6
69.85646	7.9
69.86053	4.6
70.06606	14.5
71.05000	5.5
72.08158	3.6
73.02904	4.8
79.05509	14.2
81.03423	24.5
81.07059	35.6
83.04963	4.9
84.08138	3.9
84.49496	2.2
85.02904	39.5
86.09708	4.0
87.00821	16.2
91.05480	11.0
93.07047	16.4
95.04951	10.2
95.08602	17.8
97.02892	28.0
97.10135	2.9
98.98450	3.2
99.04449	11.2
105.01860	13.0
105.03406	3.2
105.07027	19.5
107.04948	6.7
107.08601	15.2
109.02872	23.1
109.06512	5.2
109.10165	34.6
111.08128	4.8
115.05438	3.9
117.07012	5.8
119.04926	2.8
119.08565	8.3
121.06502	5.1
121.10141	10.0
123.04407	3.2
123.11714	16.4
124.07595	3.3
125.06026	4.8
127.03914	39.4
128.04190	2.6
129.06970	3.3
131.08578	5.6
133.02843	9.0
133.06482	5.1
133.10094	5.6
135.04436	7.3
135.11719	4.8
137.05972	4.3
145.04991	12.3
145.06502	5.4
145.10103	11.0
147.04410	4.8
147.07997	6.8
147.11670	2.8
149.06059	3.3
149.09622	2.7
151.03911	100.0
157.10165	3.1
159.02895	7.5
159.08067	4.2
159.11655	5.9
161.09621	2.5
162.05504	2.7
163.03935	3.7
163.11180	7.8
165.05489	7.3
167.07062	3.2
171.08072	4.9
173.05940	2.4
173.09612	7.0
175.03935	8.6
175.07492	4.5
177.05467	6.1
178.04854	2.7
185.09642	3.3
187.11166	5.2
189.05469	16.6
189.08965	4.1
191.07010	10.6
197.09563	3.2
199.07486	3.8
201.09082	2.9
203.07062	5.7
213.09129	6.8
215.07040	4.7
215.10681	7.4
217.08609	10.9
229.08791	2.5
231.05046	7.5
231.10175	4.9
233.11707	4.7
243.17488	2.8
255.13815	23.6
273.14822	65.0
278.01172	3.0
285.14844	5.9
315.15988	6.6
363.15820	4.3
467.16830	3.7
485.78326	2.6
503.18744	7.3
539.21942	3.1
556.25208	3.4
580.81860	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	21.0
57.03428	4.4
57.07066	13.7
60.82809	3.0
65.03960	3.1
67.05505	53.3
67.42342	3.1
68.48862	2.8
69.07069	37.8
71.08629	6.2
71.53966	2.9
72.08147	7.9
79.05494	36.3
80.24390	3.4
81.07055	91.3
83.04973	3.3
83.08642	15.3
89.06013	3.6
91.05479	25.2
93.07041	49.6
95.04954	6.2
95.07993	4.1
95.08609	85.7
97.10148	8.6
98.98479	3.6
100.98731	2.7
105.07024	36.3
107.08604	36.2
108.22637	2.8
109.06493	4.3
109.10166	56.0
111.11733	3.7
113.09699	3.1
115.03917	4.5
117.07027	12.1
119.08590	32.4
121.10146	37.4
123.04428	3.5
123.11697	26.1
127.03925	7.5
131.08572	13.8
133.10143	31.8
134.00082	3.6
135.11697	24.6
137.13248	9.3
142.49879	2.9
143.08531	5.3
145.10092	26.5
147.11690	24.8
149.09579	3.0
149.13263	19.5
151.14793	6.2
157.10135	8.5
159.11720	20.6
161.13245	15.1
163.14809	12.8
171.11739	7.2
173.13243	16.9
175.14857	9.1
177.16408	7.1
183.11685	3.2
187.14862	9.3
189.16370	11.1
191.18016	7.6
201.16391	9.3
202.16684	4.1
203.17824	4.5
205.19489	4.2
215.17896	3.9
217.19571	5.2
229.19563	4.5
231.20993	4.7
257.18945	3.3
257.22693	4.2
335.21982	3.1
349.24014	3.1
363.25317	5.9
377.26923	8.0
391.28433	5.8
405.29980	7.6
417.29932	8.5
431.31522	7.0
445.33093	5.8
459.35199	3.2
465.92596	3.2
473.36423	4.7
537.43353	3.7
555.36560	8.0
555.44183	100.0
556.44397	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	555.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.8
55.01867	12.5
55.05507	18.4
56.40524	1.8
57.03422	6.2
57.07057	5.8
59.04987	2.6
61.02914	6.0
65.03945	4.9
67.05503	32.6
69.03425	48.2
69.07066	58.6
69.34433	19.4
70.06590	11.7
71.04975	8.0
72.08146	2.8
73.02923	6.2
77.60910	2.0
79.05490	22.8
81.03418	39.1
81.07053	100.0
81.07534	4.8
83.04966	9.1
83.08614	11.1
84.08132	3.3
85.02905	49.8
85.03432	2.5
85.06550	25.6
86.09685	5.1
87.00825	19.4
91.05481	28.1
93.07037	43.3
93.07625	2.1
95.04964	30.6
95.08604	60.1
96.08154	2.7
97.02885	23.8
97.06506	14.0
97.10150	4.8
99.04456	16.3
99.08093	6.2
100.11248	4.8
101.06032	2.0
103.05449	3.8
105.01849	13.9
105.03385	5.9
105.07024	33.0
106.63765	2.1
107.04935	3.2
107.08595	48.8
109.02873	28.6
109.06517	12.8
109.10145	47.1
111.04433	5.0
111.08073	23.8
111.11710	7.0
115.03914	5.2
115.05428	2.9
117.01867	2.3
117.07009	6.7
117.12968	2.0
119.04892	4.6
119.08578	25.5
121.02854	6.0
121.06509	6.1
121.10143	29.1
123.04394	6.9
123.08080	7.0
123.11707	32.4
124.07607	3.4
125.09631	43.2
125.13223	3.8
126.09160	6.2
127.03910	42.6
127.11246	2.5
129.01851	3.7
129.06992	2.9
131.04868	2.0
131.08551	10.4
133.02885	4.0
133.06493	3.1
133.10129	25.9
135.04436	5.1
135.08029	5.1
135.11682	21.5
136.07599	2.7
137.05920	3.2
137.09584	14.4
137.13252	13.3
139.11162	19.9
141.06935	2.5
143.08527	4.5
145.04953	11.7
145.06468	2.6
145.10115	14.2
147.02879	2.9
147.04424	7.6
147.08025	2.6
147.11684	18.0
149.09616	3.9
149.13222	14.1
151.03845	4.1
151.11171	37.1
151.14804	2.7
153.12755	12.7
157.10072	5.1
159.02919	8.5
159.08052	3.5
159.11656	13.0
161.09618	5.5
161.13225	8.7
162.05481	26.3
163.03886	6.6
163.07486	3.0
163.11166	7.5
163.14835	6.0
165.12769	26.7
167.14265	3.6
169.10054	2.6
169.12221	4.9
171.07967	2.5
171.11691	3.3
173.05833	2.3
173.09669	3.5
173.13255	9.8
175.03876	3.4
175.14792	7.2
177.12781	3.4
177.16393	6.0
179.14322	5.5
185.09637	2.2
187.11140	3.9
187.14777	4.0
189.09113	2.3
189.12747	3.6
189.16370	7.1
191.06941	2.2
191.14336	2.5
191.17903	6.4
193.15875	2.6
195.02814	2.3
201.09166	4.4
201.16354	4.6
203.10658	2.8
203.17921	3.1
207.06566	8.2
207.17479	5.7
210.14876	3.4
213.03954	5.4
213.09055	3.3
213.12770	3.8
215.17940	9.5
219.17525	2.6
229.19492	2.7
231.04958	8.9
231.10159	3.7
233.19017	16.7
245.22597	3.1
249.06392	1.9
249.18533	3.5
255.13829	9.8
256.51804	2.1
269.22800	2.5
271.05890	2.1
271.24213	8.6
273.14868	2.0
289.14371	3.3
289.25253	43.6
295.05963	2.7
307.26266	18.9
315.15924	5.7
319.83563	2.2
365.21097	2.3
393.22678	2.9
415.28009	3.5
436.14276	3.0
519.28949	3.5
522.57520	2.2
537.30701	3.9
538.17029	4.6
555.19867	6.4
555.25305	4.1
555.31586	9.6
555.40088	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	555.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.1
55.01854	8.9
55.05509	22.1
57.03418	7.5
57.07064	5.4
59.04995	2.8
61.02907	3.0
65.03943	3.0
67.05505	25.8
68.99786	5.0
69.03425	41.8
69.06682	2.9
69.07067	87.0
69.89647	5.0
69.90041	5.4
70.06568	8.4
71.04980	9.2
73.02903	6.5
79.05486	19.7
81.03414	40.6
81.07055	100.0
82.39409	1.8
82.78490	1.9
83.04945	9.6
83.08614	9.8
85.02904	65.5
85.06546	10.3
86.09698	2.9
87.00823	26.3
91.03942	2.7
91.05476	21.8
93.07043	55.6
95.04967	11.5
95.08606	57.4
97.02891	19.5
97.06541	13.5
97.10151	6.7
99.04465	16.9
99.08082	4.4
103.03921	2.2
105.01867	16.1
105.03381	3.1
105.07034	35.7
107.04948	5.5
107.08591	51.3
109.02879	33.3
109.06516	12.7
109.09395	2.6
109.10153	44.5
111.04404	2.8
111.08083	16.4
111.11716	20.3
113.20708	2.3
114.68797	2.3
115.03831	2.2
115.05376	3.2
116.70609	1.9
117.01844	4.8
117.07013	4.5
119.04929	5.0
119.08587	19.7
120.08856	2.3
121.06467	4.3
121.10135	31.2
123.04424	3.1
123.08050	5.3
123.11707	44.9
125.05980	2.1
125.09624	4.6
127.03922	56.4
127.11172	2.8
129.01848	3.4
129.06947	2.8
131.08556	7.8
133.06468	2.8
133.10109	25.4
135.04385	3.0
135.08063	4.1
135.11667	15.7
137.06007	2.5
137.09607	3.6
137.13231	8.4
139.11182	36.3
143.08492	4.3
145.04985	14.8
145.05984	1.7
145.06464	1.8
145.10106	10.6
147.04361	2.6
147.08107	3.4
147.11681	15.7
149.09564	3.8
149.13254	16.8
151.03889	3.2
151.11180	55.3
151.14822	4.3
153.12721	4.6
157.10104	4.0
159.02899	14.5
159.11644	12.1
161.09634	2.7
161.13251	9.5
162.05521	6.0
163.03951	10.3
163.11168	5.5
163.14804	9.4
165.12741	17.2
167.07011	3.7
167.14464	2.7
169.10080	3.0
169.12231	9.0
171.11598	2.9
173.09615	2.4
173.13242	6.4
175.07555	2.8
175.11238	3.6
175.14813	10.5
177.12761	3.5
177.16382	7.5
181.04883	4.5
181.12352	2.1
187.14812	8.5
189.16425	4.8
191.17993	3.6
193.15933	3.5
201.16362	5.8
203.17972	3.8
205.15797	4.7
207.06520	3.7
207.17416	4.2
213.03888	4.6
215.17944	6.2
219.17203	2.3
229.19527	2.5
231.04961	12.0
233.18985	2.5
245.22673	4.1
249.18494	3.1
271.24301	18.2
273.14761	6.1
277.25256	7.5
288.20615	2.2
289.25262	54.1
307.23077	3.6
307.26349	49.3
397.27396	5.1
400.89993	1.9
415.94302	2.5
501.28339	4.6
519.29535	4.2
537.30408	5.4
555.32324	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	555.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72139	1.8
51.78468	1.4
53.03940	9.5
55.01877	10.4
55.05510	13.7
57.03429	6.7
57.07066	4.8
59.04955	2.3
61.02919	6.1
65.03912	3.1
67.05508	24.3
68.99778	6.0
69.03088	3.1
69.03431	46.4
69.07066	44.2
70.06578	8.0
70.98104	2.0
70.98473	3.9
71.04993	11.8
72.08141	4.1
73.02919	8.2
79.05491	20.7
81.03419	44.2
81.07055	100.0
82.06561	1.9
83.01356	2.3
83.04987	5.4
83.08641	10.3
84.08131	4.0
85.02905	66.5
85.06544	7.6
86.09694	2.8
87.00832	25.8
91.03901	2.2
91.05471	22.9
93.07043	42.9
95.04976	12.0
95.07990	2.8
95.08608	54.8
97.02895	25.4
97.06527	9.6
99.04465	18.4
99.08082	3.1
103.03959	2.6
105.01862	19.9
105.03385	6.3
105.07027	55.8
107.04968	4.2
107.08594	39.2
109.02874	41.6
109.06509	12.1
109.10157	41.4
109.10802	1.0
111.04436	2.1
111.08092	7.5
111.11743	8.8
115.03901	3.3
117.01847	3.5
117.07041	5.6
119.04931	3.1
119.08570	28.8
120.08109	2.7
121.02850	1.8
121.06493	3.8
121.10134	38.5
123.08071	6.0
123.11698	55.4
125.09625	3.2
127.03917	53.6
128.07076	2.7
129.01854	4.2
129.07019	3.4
129.62912	1.6
131.08575	7.3
133.06494	2.4
133.10104	14.9
135.08078	3.7
135.11703	18.1
137.06013	2.8
137.09558	2.8
137.13229	10.6
139.07506	2.2
139.11169	13.6
142.07849	2.3
143.08592	4.0
145.04955	12.8
145.10112	9.7
147.02884	3.9
147.04399	5.3
147.08054	2.6
147.11687	37.1
149.09576	4.2
149.13245	13.5
151.03914	3.6
151.07541	2.0
151.11182	31.0
151.14926	2.1
153.12766	12.8
157.10164	4.0
159.02899	15.9
159.07997	2.1
159.11684	10.0
161.09627	2.0
161.13327	8.3
162.05499	4.7
163.03946	9.3
163.11172	3.7
163.14835	6.2
165.12750	75.5
167.03419	5.2
167.08580	2.1
167.14253	2.1
169.10072	3.6
169.12221	5.1
173.09622	2.2
173.13300	4.7
175.03983	2.8
175.14833	5.3
177.12730	2.9
177.16396	4.0
179.14340	2.2
181.04915	2.1
181.12134	2.3
183.13835	8.1
185.09673	1.7
187.14795	2.9
189.16354	3.7
191.14137	1.9
195.08089	2.0
195.17331	2.2
197.13229	2.0
201.16360	4.6
203.17940	3.5
205.15962	1.8
207.06488	7.7
207.13768	2.3
207.17422	2.8
213.03938	3.8
213.12758	4.4
215.10696	1.8
215.18050	4.8
218.11969	2.4
219.13979	2.0
229.19594	1.8
231.05016	6.9
245.22693	2.8
255.13875	3.1
259.24094	2.1
271.13412	5.1
271.24243	11.4
273.14807	2.9
277.25220	9.6
289.14462	7.4
289.25214	24.7
307.26312	30.3
393.09430	4.1
413.17606	2.0
415.28906	1.9
462.56735	2.1
493.20926	2.6
501.28159	3.5
537.30707	3.5
555.32190	11.4
558.89471	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	555.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32002	1.8
53.03934	3.0
55.01855	6.6
55.05510	5.3
57.06794	5.2
57.07074	100.0
63.17929	2.7
65.03937	4.6
67.05503	28.5
69.03415	4.0
69.07058	4.3
69.38964	18.5
71.04974	2.6
74.19504	2.1
79.05483	17.1
80.18092	1.9
81.03411	17.0
81.07045	10.9
83.04970	4.1
83.08605	2.5
85.06538	10.6
91.05476	19.8
93.07040	18.4
95.01331	52.3
95.04964	69.7
95.08601	10.1
97.06534	3.5
99.00836	3.7
103.05450	3.7
105.07039	27.9
107.04939	7.0
107.08607	7.3
109.02872	2.4
109.06511	6.2
109.10137	7.7
114.73041	2.2
115.05457	5.9
117.07004	11.1
119.04944	2.6
119.08582	17.6
121.02895	2.5
121.06485	12.8
121.10099	4.4
123.04443	4.2
123.08102	3.4
128.06209	8.1
129.06985	9.1
131.04921	5.3
131.08556	17.5
131.97101	2.3
133.06465	13.1
133.10149	5.4
135.08043	5.1
135.11671	3.1
136.84621	2.4
137.05978	4.0
139.57822	2.2
141.06967	6.2
142.07719	5.3
143.08534	15.0
145.06427	11.1
145.10130	15.7
147.04373	2.7
147.08072	14.4
147.11696	4.3
149.05972	22.1
149.09619	3.5
153.06960	3.9
154.07733	4.0
155.08546	11.0
156.09351	5.2
157.06508	5.5
157.10124	14.8
159.04399	2.4
159.08049	10.2
159.11656	12.7
161.05983	31.4
161.09615	4.3
163.07478	3.8
165.07005	7.8
165.09082	3.8
166.07721	5.6
167.07033	7.7
167.08566	5.8
168.09337	3.6
169.06418	4.3
169.10107	11.7
171.08060	8.9
171.11673	9.8
173.05794	2.9
173.09602	6.5
173.13231	2.5
175.07564	10.1
175.11136	3.5
177.05377	2.5
178.07770	5.3
179.08545	7.8
180.09348	3.6
181.10156	10.9
183.08058	5.7
183.11673	9.6
184.08786	2.4
185.09605	9.8
185.13208	6.0
187.07545	10.2
187.11192	13.0
189.07077	2.7
189.09055	4.0
191.03317	3.4
191.08597	2.5
192.09320	5.1
193.08527	4.3
193.10139	10.8
194.10973	2.3
195.08104	7.3
195.11705	8.6
197.09648	8.9
197.13318	6.8
199.11197	6.6
201.05545	2.8
201.09087	6.2
203.08759	2.8
206.10866	4.2
207.11755	7.4
207.13794	2.8
209.09607	6.8
209.13237	5.9
211.07491	3.4
211.11179	7.7
211.14667	3.5
213.09094	6.2
213.12761	3.7
215.10692	8.2
215.14285	3.5
217.10089	5.0
218.10956	2.8
219.11699	7.5
221.09595	3.9
221.13184	4.3
223.11162	8.9
225.09169	4.4
225.12746	5.4
227.10672	8.0
229.10016	3.0
229.12206	5.3
231.11775	4.8
233.09534	3.5
233.13232	2.8
235.11121	7.2
237.12727	6.2
239.10640	4.9
239.14337	3.2
241.12239	4.0
247.11200	7.2
249.09160	3.2
249.12672	7.3
249.16289	2.7
251.10706	3.0
251.14430	3.8
255.13850	4.3
259.11169	4.2
260.03619	2.4
261.12753	5.4
263.10751	2.7
263.14316	3.3
265.12238	5.7
265.15854	3.9
267.14005	3.2
273.12750	3.4
275.14322	5.2
277.12387	3.8
289.12259	3.2
291.13562	2.9
293.15320	6.4
311.12839	2.5
311.16797	2.6
319.13058	2.6
321.14777	2.9
329.11719	3.3
343.16785	3.0
345.18451	2.7
347.16327	3.0
361.18076	6.3
371.16260	5.0
373.17953	2.7
389.17871	10.7
391.18942	7.0
395.15045	3.4
407.18396	15.1
409.20071	2.8
411.14417	8.8
417.16791	6.2
425.19510	5.6
435.18085	41.0
453.19080	27.7
518.92505	2.4
555.25671	6.0
555.35986	6.8
560.81793	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	555.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01872	6.3
57.03421	1.9
59.04996	1.5
60.54528	1.2
67.05492	3.8
69.03428	7.6
69.07058	2.6
70.06594	10.5
71.04995	2.8
71.06902	1.3
71.52149	1.8
72.08156	2.5
73.02911	2.2
79.05475	3.9
81.03421	15.3
81.07041	4.4
82.06580	2.1
83.04973	2.2
84.04491	2.2
84.08141	3.9
85.02894	10.0
86.09697	4.3
89.76712	1.2
91.05469	5.6
93.07047	4.1
94.06548	1.5
95.04962	1.3
95.08609	3.0
96.18013	1.2
97.02882	4.1
97.06506	2.3
98.06062	5.3
99.04446	3.0
105.03362	1.8
106.06539	1.2
107.08595	7.1
108.04492	6.8
108.09624	1.6
109.02876	15.2
109.10183	1.9
110.07142	1.4
111.04442	1.4
112.47094	1.2
116.44108	1.3
119.04929	3.0
119.08535	1.6
120.08113	2.8
121.08681	1.1
121.10136	2.9
122.06013	5.6
123.04417	1.8
123.07986	1.6
123.11673	1.3
124.07585	1.5
126.09126	3.6
127.03915	16.9
128.07066	4.6
129.10292	1.8
131.05005	1.3
131.08517	2.1
133.10089	1.6
135.04349	2.6
135.08096	7.5
135.08972	1.5
135.11670	3.3
136.07584	3.6
137.05934	1.6
138.05466	1.9
140.07053	4.2
142.08498	1.4
145.04932	2.1
146.06049	2.0
147.04361	3.0
147.11765	1.7
150.05498	4.3
150.09050	1.9
151.03941	2.9
152.07042	1.7
159.07925	1.6
160.07542	3.6
162.05521	1.6
163.03960	1.4
163.05879	1.2
163.08655	3.1
164.58347	1.3
167.06967	2.3
168.06540	6.6
174.09135	3.5
175.03879	2.8
176.10715	1.4
177.10204	7.4
178.08635	74.5
181.04903	1.4
184.07579	1.9
188.07091	4.2
191.08231	2.0
198.09175	1.4
201.10402	2.4
202.08604	9.7
204.10100	2.4
205.09735	13.0
206.08110	16.2
207.06529	5.4
213.08792	1.4
216.10271	1.7
219.07800	1.4
219.11319	11.6
226.08534	1.6
229.09837	6.4
230.08113	5.2
243.11308	1.9
244.09615	2.9
245.13066	1.3
247.10796	50.4
253.21562	2.0
261.12399	2.8
262.10791	1.7
265.11832	26.3
271.10840	3.8
272.09155	3.1
289.11813	27.4
289.14798	2.4
294.09753	2.9
307.12885	48.5
317.11191	1.7
331.12772	2.2
337.13977	2.6
349.13885	27.3
373.14020	8.8
391.14975	26.2
397.13892	2.5
409.16071	10.2
415.14954	18.8
433.16052	100.0
434.16098	2.3
451.17123	87.0
452.17801	1.5
469.18484	6.7
555.21838	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	555.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77417	3.0
51.61621	1.9
53.03944	4.7
57.03424	3.5
64.60115	2.4
67.05514	3.3
68.99791	2.9
69.03415	8.5
69.07053	3.0
70.06584	15.6
70.58903	8.3
72.08145	5.5
78.32609	2.4
79.05473	2.6
80.78487	2.5
81.03403	9.8
81.07046	3.1
83.04958	2.4
84.08145	6.3
85.02901	13.5
86.09698	5.1
91.05449	4.5
93.07016	3.4
95.04947	9.6
95.52966	2.4
97.02866	8.6
105.03389	100.0
105.07018	3.7
107.04938	2.8
109.02854	9.3
119.04935	4.4
121.02866	15.9
121.10125	3.1
123.04381	2.9
127.03907	7.2
133.08522	2.4
135.04420	3.1
138.60867	2.4
147.04347	5.8
149.02309	4.8
151.03888	5.7
153.01831	3.1
163.03860	2.9
165.01811	13.9
167.03406	2.7
169.01199	2.5
173.05940	3.2
175.03914	3.1
177.01816	21.0
177.05449	3.8
180.57759	2.6
183.02867	5.8
189.01816	6.3
189.05605	2.4
191.03346	13.1
195.02879	28.3
201.01794	4.4
207.02881	5.6
207.06531	5.5
215.03432	3.9
216.96968	2.9
219.02953	13.9
221.04451	3.2
231.02913	12.0
231.06503	6.0
233.10379	2.8
243.02979	6.5
243.06512	17.0
249.03925	7.1
255.02943	2.8
255.03429	3.2
255.06505	43.2
256.24799	2.7
261.03952	6.3
267.06531	8.5
269.08014	3.3
273.07639	20.1
279.06564	4.0
281.04605	4.3
283.05933	3.1
285.04010	3.1
285.07523	4.0
293.07895	2.8
297.07562	40.2
309.07562	33.9
321.07474	17.1
333.07687	3.8
339.08582	21.7
351.08521	15.2
357.09729	8.3
363.08490	7.9
369.09668	3.0
375.09256	5.0
381.09897	3.1
387.10452	7.3
399.10489	3.1
405.09561	10.4
417.10413	3.1
423.10864	3.5
435.10815	5.8
451.17307	2.4
453.11871	5.1
483.12793	2.9
518.00092	2.7
555.17938	5.3
555.28229	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	554.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
65.03956	0.7
67.05512	1.7
69.07073	5.1
69.54349	2.0
74.35980	0.4
79.05487	1.1
81.07057	7.2
83.08617	0.4
85.06528	0.6
91.05485	3.1
93.07045	2.8
95.08594	2.3
97.10177	0.4
97.22065	0.3
105.07014	0.4
107.08601	1.8
109.10145	1.6
119.04958	1.0
119.08698	0.4
121.10149	4.3
123.11757	0.7
129.06973	0.4
131.04944	0.8
135.11708	1.0
140.33643	0.4
145.10168	0.5
147.04408	8.4
149.13266	1.8
155.08598	0.6
159.04420	3.6
163.03908	2.4
173.06010	1.9
175.03911	99.4
176.04332	1.6
177.05486	0.4
187.03940	4.7
187.07489	1.9
189.05463	0.9
201.05475	3.7
201.09093	0.5
203.07025	1.6
205.19531	0.8
216.06526	0.8
229.08601	27.7
230.08926	0.5
247.09666	100.0
248.09975	2.6
265.10690	2.0
499.30267	0.4
539.51105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99628	1.6
55.01857	1.4
55.05492	4.6
61.02916	1.7
65.03932	2.8
67.05499	17.7
69.03409	4.6
69.07049	4.0
70.06584	7.6
71.04990	2.3
71.52360	2.1
79.05494	2.6
81.03416	4.4
81.07059	3.3
82.94572	1.6
84.08140	5.0
85.02875	5.6
85.06542	11.9
86.09718	1.7
91.05474	5.0
93.07039	3.7
95.08619	2.4
97.02906	1.7
97.06570	2.0
97.61909	1.3
99.04462	1.9
103.05457	1.7
105.07017	3.8
106.02898	3.1
107.08611	2.4
109.02858	5.3
109.10154	3.0
110.09664	3.8
114.05533	1.6
119.04926	3.7
119.08543	1.6
120.08089	4.7
121.10112	3.1
124.03915	8.7
127.03873	3.5
133.06479	1.7
135.62375	1.6
136.06119	1.8
136.07579	2.0
138.09114	13.6
145.93274	1.4
147.04402	7.2
151.03792	1.9
152.07083	3.0
159.04393	4.6
162.05550	5.9
163.03911	4.5
175.03908	83.9
176.04349	1.8
177.05461	6.8
181.04982	2.9
187.03931	18.0
187.07513	2.9
189.05449	6.9
189.09015	2.0
199.03894	3.9
201.05495	3.4
203.03363	4.4
203.06985	2.9
207.06506	4.7
213.05443	2.0
213.09044	1.8
215.07040	2.6
226.06271	3.6
229.08595	24.3
231.10114	10.5
241.08574	14.0
243.10164	22.4
245.08118	2.2
247.09651	97.1
248.09917	3.0
253.08585	1.8
255.10162	3.9
259.09576	2.5
268.08176	6.9
271.05920	2.3
287.05444	11.2
288.06223	2.5
295.13303	8.0
306.13330	6.2
313.14304	33.9
331.15387	100.0
332.15747	2.5
349.16580	8.1
356.18582	3.2
367.12823	2.9
392.17035	2.8
536.20142	1.9
554.23590	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	553.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.7
55.01857	3.7
55.05509	11.8
57.07076	22.6
59.59407	2.5
67.05505	26.4
69.03423	5.9
69.07069	15.8
71.04981	7.2
79.05501	20.6
81.03430	3.5
81.07062	45.1
83.04989	19.3
83.08615	6.3
85.06554	14.2
91.04981	2.9
91.05489	32.3
93.06478	4.5
93.07046	49.9
95.04966	40.9
95.08603	46.1
97.06529	8.5
97.10180	4.5
101.06034	3.0
103.05454	3.8
103.07568	2.6
105.07034	48.9
107.08597	56.2
109.06507	16.2
109.10165	26.9
111.08064	3.8
115.05489	2.6
117.06982	13.1
119.08587	59.5
121.06522	9.8
121.10148	54.3
123.08071	9.5
123.11680	16.3
128.06238	6.4
129.07030	13.7
131.08569	32.3
133.06483	2.7
133.10127	46.2
135.08057	8.3
135.11696	34.8
137.09697	3.3
137.13283	7.1
138.21712	3.6
139.07567	9.0
141.06990	4.3
141.09100	3.1
142.07785	8.8
143.08571	31.6
144.09344	3.0
145.10136	37.8
147.08076	10.5
147.11696	21.4
149.09641	3.2
149.13281	7.1
151.07530	3.1
153.09105	7.2
155.08525	14.1
156.09355	5.9
157.10123	26.7
159.08067	4.7
159.11684	30.8
161.09619	8.1
161.13266	16.7
163.11198	4.6
163.14864	6.5
165.07082	3.6
167.08569	6.4
169.10124	18.0
170.10986	5.1
171.11697	21.8
173.09526	4.8
173.13260	37.4
175.11250	6.2
175.14833	19.2
177.16374	23.9
181.10162	7.9
183.11743	16.9
185.09668	3.5
185.13281	19.1
187.11220	8.5
187.14842	24.1
189.12718	5.7
189.16368	24.1
191.10670	3.2
191.17998	4.2
195.11707	5.5
197.13258	15.0
199.11136	3.5
199.14838	18.7
201.12764	9.7
201.16379	22.4
203.14223	4.1
203.18051	7.4
205.12303	8.5
205.15874	3.1
207.11858	3.0
209.13274	8.3
211.14861	11.5
213.12807	8.8
213.16396	7.0
215.14415	6.3
215.17984	6.5
216.81259	2.8
217.15811	6.0
221.13335	3.3
223.14876	8.9
225.16394	7.0
227.14330	6.3
227.17993	9.7
229.15877	5.3
229.19501	8.2
229.25879	2.4
231.13832	5.6
233.15500	3.3
235.14751	6.0
237.16531	2.9
239.18059	4.6
241.19595	4.7
243.13982	3.6
243.21059	3.1
245.15379	5.4
247.16936	7.1
251.17905	4.4
253.19409	3.9
255.21126	3.6
262.81509	2.8
271.20602	5.7
279.21063	6.5
293.22720	5.6
295.24271	8.5
297.18500	8.6
311.23599	3.7
319.24210	6.4
337.25269	7.3
375.26563	2.8
405.31729	5.3
415.29980	9.9
423.32544	14.9
433.31082	50.6
434.31537	4.2
439.31909	3.3
451.32056	52.9
452.31918	2.8
477.33618	3.3
517.36835	4.0
535.37994	22.0
536.38531	3.0
553.38892	100.0
554.39374	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	553.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61616	2.9
53.03944	4.5
55.01860	4.9
55.05510	16.6
57.07078	25.3
65.03947	5.2
66.57211	2.8
67.05507	31.0
69.07065	16.3
71.04985	9.0
75.99508	2.8
79.05502	29.7
81.03418	5.1
81.07056	45.8
82.40408	2.7
83.04977	33.3
83.08618	7.1
85.06531	11.6
91.05487	37.6
91.33732	3.1
93.07043	48.7
95.04967	76.0
95.08611	56.8
97.02885	5.8
97.06532	8.5
99.08114	3.3
105.07032	59.4
107.08595	71.7
109.06474	17.2
109.10146	32.3
111.08093	8.4
117.07008	17.1
119.08587	71.5
121.06518	10.8
121.10162	53.8
123.08044	8.4
123.11721	16.8
125.06013	4.2
127.07520	4.8
128.06226	5.0
129.06993	10.9
130.07780	4.6
131.08569	33.1
133.10133	49.2
135.08055	10.4
135.11699	49.1
137.09671	4.8
137.13295	6.0
137.25673	3.6
139.07565	5.3
141.06990	7.6
142.07793	9.6
143.08571	29.3
144.09424	4.0
145.10132	44.5
147.08055	6.6
147.11702	35.8
149.09654	5.8
149.13274	9.0
150.62607	2.9
153.09117	6.3
155.08548	17.8
156.09293	8.0
157.10123	29.8
158.10857	5.1
159.08054	8.0
159.11687	34.6
161.09598	10.5
161.13283	19.0
163.11182	7.7
163.14828	9.4
164.09404	2.9
165.07054	5.0
165.12750	3.4
166.07709	3.4
167.08627	4.4
168.09259	3.6
169.10164	17.7
170.10963	5.0
171.11700	23.0
173.13266	37.8
175.11223	7.6
175.14844	21.4
177.12810	6.6
177.16393	14.9
179.08463	3.2
179.10715	3.0
181.10056	6.9
182.10976	3.1
183.11679	17.4
185.13231	21.1
185.83142	3.0
187.11200	8.5
187.14809	31.4
189.16315	23.9
191.17918	3.8
193.10194	6.4
195.11696	14.5
197.13266	19.8
199.14827	19.8
201.12701	7.3
201.16402	23.5
203.14436	4.9
203.18016	8.7
205.12213	8.2
207.11676	5.3
209.13281	11.5
211.14854	14.4
213.12759	8.4
213.16415	11.0
215.14362	7.0
215.18008	8.7
217.15852	3.2
219.13808	4.2
221.13235	6.5
223.14859	10.6
225.16409	10.9
227.14348	7.8
227.17928	8.9
229.12321	3.6
229.15935	6.2
229.19431	4.3
231.13773	5.6
233.13254	3.3
235.14882	6.1
237.16400	5.2
239.14302	4.2
239.17932	6.3
241.19516	6.8
243.13913	5.6
245.15451	8.3
247.16977	5.6
249.16417	5.7
253.19492	6.9
255.21184	5.5
261.14709	5.9
263.18091	3.9
269.18811	3.6
271.20572	5.0
277.15753	3.5
277.19052	3.9
279.17728	5.4
279.20895	6.1
283.24179	3.3
293.22620	7.4
295.24170	12.1
297.18390	10.8
297.21927	3.4
311.23495	3.8
315.19766	4.5
319.24237	8.7
334.88745	3.3
337.25317	6.8
359.75159	3.5
393.27786	3.5
405.31540	4.2
407.29953	3.4
413.53250	3.6
415.29877	15.0
423.32693	7.5
433.31061	67.8
451.26370	5.0
451.32080	57.0
517.36316	5.6
535.37653	32.0
553.27905	16.1
553.38721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2252
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
51.21076	0.3
52.92590	0.3
55.01820	0.3
55.93376	0.3
57.03386	0.3
67.05498	0.3
69.03408	0.6
69.07050	0.3
69.24599	3.0
69.41246	0.3
70.06596	1.9
72.08091	0.4
79.05486	0.4
81.03392	0.7
81.07018	0.7
83.04971	0.3
85.02885	0.8
86.09697	1.7
91.05457	0.4
93.07039	0.5
95.04961	0.4
97.02843	0.6
97.06567	0.3
109.02832	0.7
110.07142	0.9
121.10114	0.3
127.03877	0.5
133.02858	0.3
141.93570	0.3
151.03944	0.4
171.30670	0.3
206.04410	0.7
207.06500	0.6
217.04582	0.4
229.08452	0.5
241.13560	0.3
244.10733	0.5
269.12805	0.6
287.13882	0.6
288.09656	0.5
331.14767	0.4
338.79019	0.3
355.15057	0.4
373.16251	4.8
391.17255	59.1
392.17535	1.7
409.17111	0.5
442.22025	0.4
467.18735	0.7
468.04303	0.4
483.28983	0.4
553.22559	100.0
554.23053	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1343
Annotation	Luteolin 7-(6''-p-benzoyglucoside)
Peak:m/z	Relative Intensity
50.01598	0.1
51.02386	0.3
53.00294	0.1
53.03942	1.0
53.58850	0.1
54.22992	0.1
55.01868	0.3
57.03436	0.2
62.31270	0.1
65.03954	0.2
66.44884	0.1
67.05496	0.3
68.99787	0.9
69.03431	2.0
69.07067	0.2
70.06588	0.4
71.04985	0.4
73.02928	0.1
77.03925	0.3
79.05486	1.1
81.03417	4.5
81.07053	0.4
83.05000	0.1
84.04498	0.2
84.08146	0.2
85.02902	1.9
85.06549	0.1
86.09712	0.2
87.00842	0.1
89.06005	0.1
91.05483	0.4
93.07049	0.3
95.04970	2.0
95.08620	0.4
96.92142	0.1
97.02888	3.2
97.06528	0.2
99.04460	0.7
105.03388	28.9
105.04540	0.7
105.07038	0.3
106.03742	0.2
107.04968	0.6
107.08559	0.2
109.02877	3.1
109.10118	0.1
111.00815	1.0
111.04459	0.2
111.08077	0.1
111.33930	0.1
117.07040	0.1
119.04968	0.2
119.08588	0.2
121.02863	6.7
121.06535	0.1
121.10128	0.3
123.04420	1.9
125.02356	0.1
127.03915	3.9
129.06929	0.1
131.04890	0.2
133.02838	0.8
133.06488	0.1
133.10130	0.2
135.04428	0.2
137.02327	1.3
137.05988	0.2
141.06950	0.1
143.97066	0.1
145.04984	0.9
145.06483	0.3
145.10098	0.1
147.04401	1.2
147.07990	0.1
149.05911	0.1
151.03917	0.3
153.01825	4.7
157.06476	0.7
159.08099	0.2
161.05994	0.3
161.09593	0.1
162.09215	0.1
165.01831	2.2
169.06541	0.2
171.02910	0.2
171.04430	0.4
175.03891	0.3
175.07611	0.1
177.08968	0.1
181.04913	0.1
183.02899	1.0
185.05965	0.7
189.05463	0.3
197.05887	0.1
199.03893	0.1
201.05441	0.3
201.09096	0.1
203.03362	0.1
203.07057	0.3
207.06552	0.3
213.05473	1.8
217.04897	0.1
218.05765	0.2
219.06543	0.2
229.08528	0.1
231.06546	0.9
241.04936	1.5
243.06435	0.2
245.04437	0.2
247.09612	0.1
249.07590	6.4
258.05234	1.3
259.05994	0.5
267.08643	0.7
269.04578	0.2
272.05020	0.3
275.15900	0.1
287.05484	100.0
288.05807	1.8
289.05630	0.1
304.08182	0.3
305.08365	0.5
329.06479	0.3
431.72086	0.1
553.23120	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79178	4.0
55.05500	21.6
57.07071	11.9
58.03072	3.6
60.05151	4.3
65.03954	8.2
67.05511	46.0
69.07079	25.6
79.05498	20.1
80.57119	4.6
81.07072	34.3
83.08633	6.5
85.06549	21.4
91.05476	23.6
93.07043	43.6
95.04967	5.6
95.08617	40.7
105.07039	24.3
107.08600	45.6
109.10162	31.7
119.08585	23.8
121.06516	4.6
121.10155	31.3
123.04446	5.1
123.11714	26.4
128.40227	4.2
129.70773	3.8
131.02496	4.1
131.04939	9.2
131.08574	11.9
133.10138	20.3
135.04449	21.1
135.08051	10.0
135.11674	22.3
143.08566	7.9
145.10121	13.8
147.04428	25.5
147.08080	13.2
147.11693	14.0
149.05930	5.3
149.13283	21.4
155.08589	5.8
157.10129	8.4
158.10757	4.0
159.04433	10.6
159.11679	13.9
161.06006	10.6
161.09589	6.4
161.13242	5.7
163.03937	6.0
166.19292	4.2
171.08060	7.9
173.05991	5.4
173.09615	4.7
173.13335	7.4
175.03923	100.0
175.07571	14.6
175.14815	10.4
177.05470	10.1
185.09586	5.6
185.13287	4.4
187.03900	36.8
187.07562	12.2
189.05499	12.7
189.09146	41.7
189.16382	6.9
199.03992	12.0
199.07568	10.0
201.05489	9.0
201.09123	20.2
203.10670	6.7
203.17966	17.8
205.19519	15.5
207.10146	21.6
213.09094	7.5
215.10634	7.8
219.10245	6.2
225.09087	6.4
226.06299	14.4
227.10672	9.1
229.08673	35.1
229.19537	14.1
229.59903	4.8
231.10213	6.8
240.11343	4.9
241.08589	31.9
241.12213	12.2
243.10152	19.2
247.09691	59.1
255.10175	7.3
255.13802	22.2
257.19141	6.2
259.09656	17.0
273.14807	42.3
291.16013	25.8
295.13290	13.6
313.14352	39.7
313.17767	8.3
331.15515	26.0
355.62653	4.3
379.22614	6.3
433.27145	7.8
499.32001	17.3
507.34448	4.5
517.33270	25.1
522.06873	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	552.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33211	0.2
53.03928	0.2
67.05494	0.2
68.89954	0.3
70.06566	0.2
75.90078	0.2
79.05473	0.6
80.04980	0.5
82.06542	0.4
91.05460	0.6
93.07040	1.6
94.06574	2.1
95.04937	0.4
95.07349	1.8
96.07592	0.3
96.08134	4.6
97.06474	0.3
103.05426	0.3
106.22839	0.2
107.07323	0.2
108.04450	0.3
108.07440	0.3
108.08114	4.0
109.08853	0.4
110.06006	0.2
110.09676	6.5
120.04474	3.6
120.08109	4.2
122.05965	1.0
122.09608	0.7
124.07548	0.9
132.08026	0.4
136.07571	3.1
137.08353	0.3
138.09132	9.1
146.05968	0.8
148.07578	2.0
150.05452	0.4
150.09100	0.8
152.07050	1.5
152.10641	0.7
159.06749	0.2
160.07521	0.4
162.09164	0.4
164.07060	0.7
166.08643	8.1
168.10144	0.2
170.08301	0.3
174.05560	0.3
176.10657	0.4
180.06683	0.2
180.10199	0.5
182.09561	0.2
182.11754	0.6
183.09114	0.3
184.09920	0.3
184.51721	0.2
192.06570	0.4
194.08180	1.3
195.09142	0.3
196.09825	0.6
197.10756	1.1
198.11461	0.3
202.08408	0.2
204.06528	0.3
206.07990	0.2
208.09706	0.3
209.10745	0.9
210.11505	0.3
211.08646	0.6
211.12227	0.8
212.09386	1.1
213.10201	0.7
215.11932	0.3
218.08104	0.3
221.10728	0.7
222.07925	0.2
222.11607	0.4
223.08636	1.4
223.12265	1.4
224.09442	1.4
225.10194	3.5
226.10941	0.5
227.11743	1.2
233.10687	0.6
234.11444	0.3
235.08653	1.8
235.12335	0.4
236.09416	1.1
237.10208	8.0
238.10962	2.0
239.08173	2.1
239.11783	3.8
240.12662	0.3
241.09720	0.9
245.12863	0.3
248.09372	1.4
249.10223	6.6
250.07249	0.3
250.11032	2.4
251.08133	4.4
251.11789	6.7
252.08923	0.9
252.12558	1.7
253.09718	6.0
253.13316	0.6
254.10451	0.8
255.11258	0.7
259.14224	0.4
261.10251	3.3
262.11005	1.0
263.08179	0.9
263.11774	3.0
264.08817	0.6
265.09717	9.4
265.12811	0.4
266.10434	2.3
266.14050	0.4
267.11301	6.1
267.68124	0.3
268.11975	0.9
269.09253	0.8
269.12842	0.9
271.10794	2.3
273.12399	0.5
274.07211	0.3
275.08072	0.4
276.08896	0.5
277.09695	2.2
278.06876	0.5
278.10449	4.4
279.07663	4.8
279.11267	10.1
280.08823	0.4
280.11969	2.2
281.09186	2.9
281.12817	1.7
282.10184	1.0
282.13068	0.3
283.10782	7.4
283.14108	0.3
284.11548	0.3
285.12360	0.9
287.14005	1.2
289.09708	6.2
289.12930	0.4
290.10431	1.0
291.08255	0.4
291.11292	2.1
292.08463	0.2
292.11911	0.3
293.09210	1.7
293.12817	4.2
294.10019	5.3
294.13382	0.7
295.10815	4.8
295.14191	0.6
296.11600	2.9
297.08719	0.6
297.12305	1.2
298.09436	0.7
299.10278	2.2
304.08252	0.4
305.08969	0.4
306.09793	1.3
307.10800	2.5
308.11649	0.8
309.08823	0.5
309.12222	2.9
310.13058	0.5
310.99185	0.3
311.10217	6.9
311.13867	1.9
312.11075	3.6
312.14590	0.2
313.11774	1.8
314.12665	1.6
317.09253	1.2
321.08621	0.6
321.12375	0.9
323.10205	1.0
323.13919	1.4
324.11032	2.4
325.11829	1.4
326.12646	5.7
327.13367	9.0
328.14069	0.5
330.16089	0.3
335.10260	7.6
336.10733	0.6
337.08176	0.3
337.11905	0.9
338.12875	0.3
339.13385	52.1
340.10449	2.5
340.13925	0.8
352.10504	0.9
353.11337	1.0
354.12045	4.1
355.12866	14.8
356.12878	0.3
358.15576	0.4
367.12881	32.0
368.13412	0.8
371.12299	0.6
371.16574	0.3
374.14862	0.4
376.16516	0.3
386.14859	0.8
387.15503	1.3
399.15555	0.6
400.16522	0.4
414.18231	0.4
436.18594	0.3
444.19336	0.4
447.18015	0.4
451.21280	1.1
452.21616	0.5
460.18671	1.9
464.17599	0.3
470.16913	0.3
474.20480	0.3
479.20718	2.3
488.18179	12.5
492.21298	5.5
502.19644	0.5
505.18298	0.3
520.20795	100.0
521.21069	2.7
538.22003	0.5
552.23383	7.5
553.24103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62965	0.2
53.03927	0.3
55.05478	0.3
56.06808	0.2
61.11645	0.2
65.03893	0.2
67.05457	0.6
69.03371	0.6
69.03715	0.2
69.07035	0.4
70.06547	0.8
70.97461	0.6
71.04955	0.4
79.05470	1.1
80.04984	0.3
81.03374	0.5
81.05740	0.2
81.07040	1.1
82.06532	0.5
83.04977	0.3
84.04440	0.2
84.08127	0.3
85.02855	0.8
85.06522	0.2
86.09678	0.4
91.05480	1.2
93.05720	0.3
93.07041	1.9
94.06561	2.3
95.04919	0.6
95.07339	1.4
95.07837	0.2
95.08560	0.6
96.08127	2.9
97.02872	0.4
105.03366	0.5
105.06992	0.4
106.06514	0.5
107.04932	0.6
107.07330	0.2
107.08545	0.7
108.08117	3.3
109.02837	0.3
109.06458	0.6
109.08914	0.3
109.10111	0.7
110.09676	5.1
111.04409	0.3
115.03790	0.3
118.06499	0.4
119.07239	0.2
120.04460	2.1
120.07281	0.3
120.08101	4.4
121.02805	0.7
121.06449	0.5
121.10090	0.5
122.05986	1.0
122.09632	0.9
123.06773	0.7
124.07594	1.9
127.03884	0.7
132.08049	0.3
133.10089	0.2
134.05957	0.6
135.04390	0.3
135.11649	0.6
136.07573	4.7
137.05978	0.3
138.09129	8.2
145.10072	0.3
146.06012	2.0
147.04388	0.6
147.07944	0.4
148.07568	1.8
149.02242	0.3
150.05457	0.5
150.09076	1.0
151.03783	0.2
151.06287	0.5
152.07054	1.8
152.10643	0.9
154.04933	0.3
160.07552	0.4
162.05434	0.4
162.09113	0.4
164.07115	1.5
166.08632	9.0
167.03348	0.4
168.08194	0.2
168.10141	0.3
172.03867	0.8
174.31543	0.2
176.10648	0.5
177.07811	0.6
178.08598	0.4
180.06552	0.3
180.10126	0.8
182.11748	0.7
184.07382	0.3
184.09909	0.5
185.10695	0.3
188.07080	0.3
190.04922	0.3
192.06421	0.3
192.10132	0.7
194.08116	1.4
196.09700	1.0
197.10699	0.8
198.11401	0.3
199.12306	0.3
204.06543	1.1
206.08192	0.3
207.06483	0.4
209.10747	0.8
210.11490	0.6
211.08620	0.5
211.12238	0.7
212.09450	1.1
213.10240	0.6
221.10728	0.3
222.07588	0.3
222.11336	0.3
223.08621	1.6
223.12271	1.0
224.09428	0.9
225.10245	3.1
226.10910	0.7
227.08124	0.2
227.11717	1.0
229.15849	0.3
233.10786	0.3
235.08730	1.1
235.12224	0.3
236.09267	1.5
237.10234	7.3
238.10951	1.3
239.08177	1.1
239.11768	3.1
241.09712	0.9
245.12927	0.4
248.09366	1.1
249.10211	4.5
250.10985	1.6
251.08133	3.1
251.11775	4.2
252.08897	0.9
252.12538	1.0
253.07141	0.3
253.09723	4.6
253.13324	0.5
254.10561	0.7
255.11214	0.9
255.13715	0.3
256.12006	0.3
257.12738	0.3
259.14221	0.3
261.10214	1.4
262.10956	0.7
263.08157	0.8
263.11761	1.9
264.08932	0.5
265.09720	7.9
265.12793	0.4
266.10400	1.7
267.11246	4.0
268.12033	0.3
269.09244	0.7
269.12839	0.7
269.17468	0.3
270.09958	0.3
271.10791	2.5
271.13416	0.6
273.12289	0.3
277.09692	2.2
277.12674	0.3
278.07196	0.4
278.10461	2.7
279.07657	3.7
279.11261	8.2
280.08548	0.5
280.11978	1.7
281.09186	2.3
281.12839	1.5
282.09949	1.0
283.10782	6.4
283.13956	0.5
284.11438	0.3
285.12280	0.9
286.13086	0.3
286.17868	1.1
287.13889	3.1
289.09689	3.9
290.10315	0.2
291.11151	1.3
293.09158	2.3
293.12836	3.1
294.09973	4.3
294.13202	0.2
295.10757	2.9
295.13943	0.5
296.11423	1.8
297.08725	0.7
297.12332	1.6
298.09421	0.6
299.10226	1.9
299.13644	0.5
306.09836	0.8
307.10776	1.7
308.11423	1.0
309.08807	0.4
309.12329	2.5
310.13144	0.4
311.10349	6.4
311.13892	1.3
312.11032	2.6
313.11795	2.3
314.12552	1.8
315.13297	0.5
316.14594	0.4
317.09070	0.4
319.07156	0.2
319.10706	0.4
321.12280	0.4
323.10193	0.9
323.13959	0.9
324.11090	1.8
325.11832	2.5
326.12637	4.1
327.13370	8.0
328.14157	0.7
335.10263	4.9
336.10785	0.4
337.08023	0.3
337.11844	1.2
339.13376	40.4
340.10458	1.8
340.14023	0.8
341.10968	0.3
341.14810	0.4
343.16574	0.3
344.17645	0.3
346.15378	0.3
349.11389	0.4
352.10577	0.8
353.11136	1.1
354.12057	2.1
355.12854	8.2
356.13708	0.4
357.14584	0.6
367.12869	12.8
368.13245	0.4
369.14532	0.5
371.11942	1.8
371.16412	1.2
372.12985	0.3
374.14981	0.5
376.16394	0.4
385.13843	0.7
386.14661	2.4
387.15485	3.1
388.16318	0.3
399.15497	5.3
400.16489	0.3
408.19244	0.4
415.14987	0.3
418.17783	0.6
432.19269	0.4
436.18585	0.3
446.16589	0.3
451.20993	0.8
452.21780	0.8
460.18805	0.9
464.17719	0.6
470.16986	0.4
474.20322	0.4
479.20367	2.2
484.05353	0.2
488.18085	3.3
492.21243	3.4
502.19528	0.8
520.20789	29.5
521.21191	0.8
524.23840	0.9
534.22467	0.7
552.23389	100.0
553.23743	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	552.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71867	0.2
53.03936	0.3
61.02884	0.3
67.05475	0.8
69.03405	1.1
69.07046	0.6
70.06561	0.8
70.11751	0.6
70.12150	0.5
79.05472	0.8
81.03386	1.0
81.07040	1.1
83.04910	0.3
83.08633	0.3
85.02917	1.3
86.09713	1.8
87.00815	0.4
91.05453	0.6
93.07023	1.0
95.04951	0.5
95.08582	0.4
95.93005	0.3
97.02876	0.7
98.09630	0.2
99.04421	0.3
99.12149	0.2
104.10709	0.3
105.07043	0.5
107.08574	0.7
109.02855	0.9
109.06522	0.4
109.10129	0.8
119.08558	0.4
121.02836	0.3
124.99960	0.7
127.03878	1.0
131.61331	0.3
132.89156	0.2
133.10109	0.3
136.12032	0.2
142.06517	0.4
143.54987	0.3
145.04935	0.4
145.10063	0.4
156.08080	0.3
159.02896	0.4
160.07591	0.3
163.03879	0.4
164.04237	0.3
167.07045	0.3
178.21916	0.3
181.04964	0.9
182.05316	0.5
184.07353	3.1
187.77762	0.3
198.12770	1.4
205.05013	0.3
206.08061	0.3
223.06033	0.5
234.07762	0.3
241.03624	0.4
242.04512	0.5
243.05295	1.8
244.06032	0.7
246.03914	1.4
248.06261	0.5
258.04111	0.3
258.07730	1.2
260.05652	1.7
261.06296	0.8
262.07135	0.5
271.04843	1.2
272.05807	1.2
274.03421	0.6
274.06787	0.3
276.08658	0.3
286.06992	1.4
288.04916	1.8
289.05801	43.4
290.06277	0.9
302.06647	0.5
303.07324	1.0
304.08145	100.0
305.08353	2.7
354.39752	0.3
361.43365	0.3
371.71332	0.3
412.09549	0.3
466.13412	2.5
508.14511	1.8
534.12268	0.6
552.13403	16.5
552.33124	0.5
553.13751	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.0
57.07064	10.2
63.85813	7.4
67.05490	28.5
68.47849	8.2
69.07050	19.6
71.53411	11.1
79.05473	29.4
81.07046	38.4
83.08595	11.6
91.05485	40.8
93.07049	58.0
95.08595	41.3
103.05502	8.5
105.07034	78.3
107.08585	55.6
109.10140	42.4
115.05379	7.9
117.07047	20.4
119.08595	100.0
121.10107	41.1
123.11689	17.9
129.06978	12.4
130.07808	8.6
131.08539	31.1
133.10129	55.0
135.11658	31.7
136.47540	7.6
142.07813	15.0
143.08565	13.9
145.10146	64.0
147.11665	20.4
149.13264	9.8
156.09354	10.0
157.10149	34.6
159.11664	33.6
161.13388	9.9
167.08714	8.8
169.10080	20.2
171.11652	18.8
173.13275	22.9
175.14827	25.3
183.11633	17.7
185.13223	9.8
187.14891	15.3
195.11674	12.0
197.13214	11.7
199.14844	14.6
201.16476	9.0
209.13245	10.4
211.14865	17.4
224.03712	8.1
551.42584	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01863	1.2
55.05506	0.9
57.03418	0.7
61.02930	0.5
61.70646	0.4
64.51250	0.3
67.01848	1.7
67.05499	2.4
68.99776	1.2
69.03431	3.7
69.07073	1.7
70.06602	0.7
70.08549	1.7
71.01335	0.4
71.04981	0.7
73.02940	0.8
79.05479	1.3
81.03415	4.1
81.07056	5.3
83.04984	0.4
83.08588	0.3
85.02906	5.4
86.09684	1.0
87.00828	1.9
89.83534	0.4
91.05481	3.5
93.03398	0.3
93.07043	3.9
95.04958	1.7
95.08614	1.7
96.01377	0.4
97.02898	2.1
97.06532	0.7
99.04444	1.4
105.01859	1.2
105.03484	0.4
105.07024	1.3
107.04956	1.1
107.08611	3.5
109.02891	2.5
109.06496	0.6
109.10174	2.7
111.04409	0.5
117.01829	0.5
117.07021	0.4
119.04927	0.4
119.08578	0.8
121.02889	1.7
121.06494	1.1
121.10119	1.2
123.04422	0.4
123.11716	5.5
124.99989	0.4
125.99716	0.3
127.03925	3.9
129.01851	0.5
131.04912	0.8
131.08540	0.7
133.10117	0.6
135.04433	2.4
135.11697	3.6
137.05977	1.0
139.03906	5.2
145.02867	0.6
145.04939	0.9
145.06532	0.4
145.10146	0.9
147.04395	0.8
147.08040	0.5
147.11641	0.6
151.03935	0.5
157.10074	0.7
159.02885	1.7
159.04292	0.5
159.11681	0.7
161.05998	0.6
161.09572	0.5
163.03915	29.4
163.11174	0.4
165.05508	0.6
167.03326	0.4
167.07018	1.5
169.04999	0.7
171.11639	0.4
173.05939	0.4
175.03918	1.0
177.05489	1.3
179.07089	0.7
181.04962	100.0
182.05309	1.1
184.07388	1.6
187.03984	0.7
191.07083	0.6
193.05011	1.8
195.06569	1.1
201.05455	0.8
205.04962	2.8
205.08510	0.5
207.06531	0.9
209.08032	0.5
219.06490	1.1
221.08084	4.6
223.06032	4.0
223.09590	0.8
229.05031	0.6
229.08617	0.5
233.08119	0.4
235.09660	1.5
239.09229	0.9
243.06487	0.7
247.06059	2.1
247.09738	2.4
257.15396	0.4
271.06027	1.7
283.06110	2.2
284.06717	1.1
289.07007	1.9
295.06052	1.5
297.07544	0.8
303.15921	21.8
304.16281	0.5
313.07043	3.6
334.76367	0.4
337.06958	0.7
361.06824	0.4
379.08084	0.6
393.08197	0.8
403.10583	0.4
411.09244	1.6
415.10483	1.0
419.09955	0.6
429.10199	1.6
447.13849	0.6
477.14868	0.6
515.13068	0.6
533.14508	1.1
551.17792	5.4
551.27222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1893
Annotation	Rel-5-hydroxy-7,4'-dimethoxy-2''S-(2,4,5-trimethoxy-E-styryl)-tetrahydrofuro[4''R,5''R:2,3]flavanonol
Peak:m/z	Relative Intensity
56.96566	1.1
66.55263	0.5
67.05477	0.7
69.03443	1.2
69.07069	0.7
70.02075	1.3
70.02462	1.5
70.06612	0.7
72.61127	0.5
79.05545	0.8
81.03426	1.2
81.07043	1.3
85.02953	0.5
93.07043	1.3
97.13246	0.6
99.71938	0.6
105.03434	0.7
105.07034	1.2
107.08619	0.7
109.02866	0.6
109.06519	0.6
117.68193	0.6
119.04924	0.7
135.03223	0.5
137.05992	0.8
147.04399	0.7
167.07068	1.0
174.09366	0.6
181.04968	1.1
207.06464	1.4
259.07886	0.8
272.05585	0.7
273.05875	1.3
287.07718	3.2
288.08221	4.1
302.10294	5.6
303.10626	10.0
306.00226	0.6
323.08041	1.6
371.11450	0.9
389.13309	14.3
407.13702	3.2
465.15369	1.0
551.18866	100.0
552.19159	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	551.1031
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03946	1.7
55.01867	1.8
57.03442	1.0
61.02921	0.9
65.03923	0.2
67.01865	0.2
67.05483	0.4
68.99792	1.4
69.03429	6.7
69.07054	0.2
69.31494	0.3
69.31904	1.2
69.83325	0.2
70.06546	0.7
71.01314	0.2
71.04997	1.0
72.08125	0.3
72.65424	0.2
73.02918	1.5
73.60889	0.2
77.26766	0.2
79.05461	0.5
81.03416	8.9
81.07016	0.4
83.01332	0.4
83.04932	0.3
84.08115	0.5
85.02903	12.5
86.09685	0.3
87.00827	5.8
87.04426	0.2
88.94337	0.2
91.03930	0.4
91.05434	0.5
93.03374	0.4
93.07025	0.3
95.04953	0.4
95.08569	0.3
97.02313	0.3
97.02887	4.2
99.03857	0.2
99.04450	3.0
102.58201	0.2
103.03870	0.2
105.01196	0.2
105.01859	3.2
105.06979	0.2
107.04940	0.4
107.08580	0.3
109.02874	7.6
109.10149	0.2
110.05885	0.2
111.00812	0.9
117.01859	1.1
119.04939	0.2
120.08110	0.3
121.02865	1.1
123.04388	0.3
127.03912	10.5
128.04271	0.2
129.01801	0.7
131.04878	0.2
131.08400	0.2
135.04358	0.2
137.02336	3.2
137.05952	0.4
145.04953	3.2
145.06087	0.3
145.06548	0.2
147.02824	0.7
148.08430	0.2
149.02287	0.6
153.01833	3.8
155.04785	0.3
158.07841	0.2
159.01566	0.2
159.02892	4.0
161.05894	0.3
163.03841	0.6
165.01825	1.8
166.02612	0.3
173.05933	0.3
177.03944	0.3
177.05402	0.3
183.02907	0.5
183.04402	0.2
187.03867	0.2
191.03427	0.3
191.06833	0.2
195.02910	0.3
201.05476	1.6
207.02898	0.2
207.06488	0.4
213.03841	0.3
219.06390	0.3
229.04948	4.2
231.04984	0.9
239.03433	0.3
247.06032	0.7
257.04431	3.1
257.14685	0.2
267.19568	0.6
274.04657	0.6
274.97223	0.2
284.14078	0.2
285.03973	1.0
285.20737	0.2
287.08813	0.3
303.04971	100.0
304.05289	1.8
345.05920	0.5
371.14758	1.0
389.15787	0.6
436.93860	0.2
533.19824	0.2
551.20978	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	550.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.6
60.88250	2.0
63.86496	1.9
67.05504	6.2
67.57957	2.0
69.07057	2.6
69.30609	18.0
69.31013	3.6
81.07043	4.5
85.06522	3.4
91.05458	3.8
93.07071	3.1
95.08607	7.3
98.21495	3.3
105.07027	7.0
107.08534	3.1
109.10159	8.1
111.38086	2.3
119.08593	5.7
121.10122	4.3
123.11763	2.7
130.69957	1.9
133.10152	5.0
147.04456	3.4
147.11697	12.4
158.41988	2.4
170.71652	2.2
175.03896	34.8
177.05496	4.6
181.29948	2.4
187.03937	10.1
189.05414	4.2
203.17966	100.0
226.06247	2.7
227.89844	2.1
229.08524	9.2
231.10184	3.3
241.08585	8.6
243.10263	8.4
247.09644	22.8
259.09595	2.5
295.13248	4.4
313.14307	16.2
331.15405	13.1
397.92981	2.4
550.42468	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	550.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24829	6.1
53.03952	6.0
55.05513	7.9
57.07073	13.0
67.05501	28.2
69.07060	15.5
69.95735	27.6
79.05489	10.2
81.07045	18.8
83.08617	6.0
91.05492	12.9
93.07051	13.4
95.08611	21.7
105.07027	24.8
107.08596	12.5
109.10165	17.1
119.08595	27.6
121.10151	8.4
123.11659	8.6
133.10153	18.8
135.11740	9.3
145.10158	8.3
145.16023	6.3
147.04445	8.0
147.11688	27.0
175.03905	70.0
177.05435	9.9
187.03880	18.8
192.85965	5.5
199.03969	8.2
203.17949	100.0
226.06206	11.9
227.12675	7.0
229.08591	12.9
243.10268	11.6
247.09698	15.0
252.09615	5.8
267.60541	6.0
313.14490	10.7
325.80286	5.9
351.99335	7.0
550.41473	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	550.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45608	0.1
59.62514	0.1
65.03932	0.1
67.05471	0.3
67.64709	0.1
69.03411	0.1
70.06577	0.2
79.05449	0.4
80.04975	0.3
81.03397	0.2
81.05753	0.2
81.07029	0.3
82.06575	0.1
84.08115	0.1
84.75932	0.1
85.02877	0.2
88.87963	0.1
91.05473	0.9
92.05779	0.2
93.05793	0.5
93.07044	0.9
94.06562	1.3
95.04927	0.2
95.07347	0.8
95.08592	0.1
96.08124	1.8
97.06501	0.2
98.21599	0.2
103.05460	0.2
105.05750	0.2
105.06998	0.2
106.06520	0.2
106.07283	0.1
107.07298	0.2
107.08540	0.1
108.08112	5.4
109.08870	0.1
110.09679	3.5
117.07030	0.1
118.06493	0.2
119.04937	0.5
119.08525	0.2
120.04428	0.4
120.05242	0.2
120.08105	2.6
120.08920	0.1
121.06535	0.1
121.10117	0.2
122.06049	0.6
122.09662	0.8
123.06770	0.2
124.07581	0.5
127.03860	0.1
132.08070	0.2
133.10031	0.1
134.06024	0.1
134.09557	0.1
135.06763	0.2
136.07573	4.9
137.08295	0.2
138.09132	4.0
139.26750	0.1
144.08057	0.2
145.10091	0.1
146.06039	0.1
147.04355	0.4
148.04739	0.2
148.07553	0.9
150.05296	0.1
150.09111	1.0
151.06203	0.1
152.07085	0.5
152.10664	0.3
154.04922	0.1
157.04030	0.1
160.07588	0.1
162.05452	0.1
163.11191	0.5
164.07132	0.4
164.11478	0.3
166.08636	3.7
167.07219	0.1
168.10121	0.2
173.92822	0.1
174.09105	0.1
175.03912	0.9
176.04295	0.4
176.10646	0.2
178.08640	0.1
180.10136	0.2
182.09743	0.1
182.11722	0.2
189.12759	0.1
192.06583	0.1
194.08183	0.3
196.09807	0.1
197.10719	0.3
199.08771	0.1
204.10228	0.2
206.08270	0.2
207.06509	1.7
207.09096	0.3
208.06845	1.0
208.09909	0.3
209.07059	0.1
209.10690	0.7
210.11516	0.1
211.08638	0.3
211.12238	0.2
212.09419	0.1
213.10190	0.1
219.09175	0.2
220.09854	0.4
221.07126	0.1
221.10703	0.6
222.07819	0.6
222.11511	0.3
223.08672	0.9
223.12207	0.8
224.09454	0.8
225.06703	0.1
225.10231	1.4
226.10915	0.2
227.11707	0.1
229.66460	0.1
233.10716	0.2
234.07858	0.2
234.11345	0.2
235.08656	3.1
235.12187	0.2
236.07306	0.1
236.09415	2.1
237.10210	8.8
238.10974	1.0
239.08102	0.2
239.11758	1.3
240.12447	0.2
241.09648	0.3
247.08647	0.7
248.09422	2.3
249.10217	15.8
250.07312	0.2
250.10963	2.5
251.08154	1.4
251.11783	3.8
252.08871	0.6
252.12567	0.8
253.09709	2.9
253.13263	0.3
254.10399	0.3
255.11288	0.3
259.04697	0.1
259.08749	0.2
260.09595	0.2
261.10229	2.1
262.07391	0.2
262.10980	0.5
263.08154	2.0
263.11771	1.5
264.08957	2.2
264.12027	0.2
265.09711	13.9
266.10443	2.3
267.11264	5.0
267.19440	0.2
268.11914	0.3
269.09222	1.0
275.08163	0.5
276.08936	2.5
277.09714	9.3
278.10486	4.5
279.07736	1.1
279.11224	6.5
280.08475	0.4
280.12015	3.4
281.09180	2.1
281.12787	1.4
282.10056	0.5
282.12924	0.1
283.10809	0.8
284.11380	0.1
285.12305	0.1
285.20648	0.2
286.13425	0.2
287.04358	0.2
287.07825	0.1
289.09616	0.7
291.07654	1.0
291.11264	2.4
292.08426	0.8
292.12039	2.9
293.09183	4.4
293.12820	4.9
294.09946	2.2
294.13495	0.5
295.07297	0.3
295.10757	2.1
295.14322	0.5
296.08209	0.2
296.11563	0.6
297.08698	0.9
297.12344	1.1
298.12970	0.2
299.10217	0.2
299.13885	0.2
300.14853	0.1
302.06653	1.2
302.12778	0.1
303.07556	0.2
304.08438	1.1
305.09183	1.9
306.09998	2.6
307.10751	3.3
308.07898	1.2
308.11493	0.6
309.08679	2.3
309.12320	3.6
310.09439	0.8
310.13132	0.4
311.10226	1.7
311.13913	0.6
312.11099	1.7
312.14734	0.2
313.11835	0.6
313.15338	0.2
314.12903	0.7
314.16324	0.2
315.13766	0.6
316.14435	0.3
319.07474	0.1
319.10745	4.3
320.11398	0.2
321.08780	0.2
321.12347	1.2
322.09476	0.6
323.10272	2.0
323.14020	0.2
324.11050	2.3
324.13977	0.1
325.11816	3.7
325.15305	0.2
326.12692	1.2
327.09714	0.1
327.13434	1.7
328.10800	0.2
328.14362	1.2
329.11636	0.2
329.15201	0.7
330.12491	0.1
330.16003	0.6
332.07883	0.5
332.17569	0.2
333.08643	0.8
335.10248	0.6
337.11810	6.8
338.12610	0.9
339.13382	9.2
340.10461	0.2
340.14243	1.0
341.11819	0.6
341.14914	0.8
342.12244	0.8
342.15994	0.9
343.13083	0.5
343.16479	0.2
344.13831	0.3
344.17719	0.5
345.14606	0.2
347.10220	1.0
350.09036	0.2
351.09750	1.9
351.13589	0.2
352.10620	0.3
352.14322	0.4
353.11292	1.2
353.15091	0.6
354.12189	0.7
354.16104	0.3
355.12943	1.6
355.16754	0.2
356.09976	0.1
356.13885	1.3
356.17645	0.2
357.14694	0.7
358.11963	0.1
358.15485	0.7
358.19296	0.2
359.16333	0.2
360.16968	0.3
365.11310	5.0
366.12140	0.5
366.16119	0.1
367.12854	0.4
368.09894	0.2
368.13968	0.5
369.10431	0.8
369.14819	0.9
370.11612	1.8
370.15594	1.0
371.12357	0.5
371.16312	0.2
372.13174	0.3
372.17081	0.9
373.13922	0.2
373.18121	0.2
374.14838	0.5
374.18774	0.2
380.13800	0.2
382.11551	3.6
382.15390	0.2
383.12326	1.1
383.16516	0.2
384.13162	1.3
384.17249	0.4
385.13925	4.7
386.14807	0.7
386.18817	0.3
387.15628	0.2
388.16858	0.6
389.17044	0.2
390.18265	0.2
396.13257	0.2
397.13937	13.5
398.14670	1.5
399.15509	0.3
400.16782	0.9
401.17447	0.3
402.13724	0.9
402.18347	0.5
412.16608	0.3
414.14304	0.4
414.18817	0.2
415.15244	0.2
416.15912	1.4
418.17535	2.8
419.18079	0.2
426.14487	0.2
428.16064	0.3
429.16782	0.3
430.13791	0.7
430.17969	0.5
431.18851	0.4
432.19403	1.2
433.20087	0.9
434.16843	0.5
440.16406	0.1
442.17752	0.2
444.14685	0.7
445.16068	0.2
446.16168	0.5
446.22128	0.1
447.17917	0.1
448.18594	0.2
449.19519	0.2
456.15311	0.1
458.17169	0.3
459.17960	0.3
460.19144	0.7
462.20584	1.4
463.20743	0.1
472.18542	0.4
474.21231	0.6
475.17282	0.2
476.17865	0.2
477.18890	1.5
478.19690	1.2
486.16367	0.2
490.19775	2.6
491.20212	0.3
500.18179	0.2
504.17303	0.1
505.21716	0.1
506.22836	0.3
514.88031	0.1
518.19226	6.8
519.19843	0.5
520.20721	0.1
522.22339	2.7
523.23157	0.1
532.20837	0.3
535.19269	0.3
536.20013	0.5
550.21808	100.0
551.22284	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	550.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01871	0.5
55.05506	0.4
57.03434	0.3
57.99815	0.3
62.64032	0.4
65.03931	1.2
67.05503	0.5
68.99771	0.3
69.03423	1.7
70.06593	3.7
70.89237	0.7
71.04996	0.5
72.08158	0.9
73.02908	0.7
77.03904	0.5
79.05473	0.7
81.03420	5.4
81.07037	0.5
83.04996	0.5
84.04475	0.3
84.08139	0.8
85.02907	2.5
86.06060	0.9
86.09744	0.4
87.08408	0.4
89.03934	0.3
91.05482	21.3
93.07010	0.7
95.04960	1.1
97.02907	1.1
98.06024	0.3
99.04451	0.6
103.05466	0.8
105.03381	0.7
105.07033	0.7
107.04977	1.8
107.08545	0.5
109.02872	2.0
109.06521	0.4
109.10130	0.4
111.04485	0.3
116.07098	0.9
119.04942	29.2
120.04494	1.5
120.05266	0.4
120.08121	0.6
121.02831	0.6
121.06470	0.6
123.04434	3.8
123.08072	0.4
127.03930	1.7
128.07065	0.4
129.03339	0.5
129.10211	0.3
132.02054	1.3
133.02879	0.4
133.06482	0.3
133.10110	0.4
135.04439	0.4
136.05193	0.5
136.07579	8.4
137.05937	0.7
145.02859	0.9
145.04974	0.7
147.04408	25.0
149.02376	0.8
151.03941	0.3
157.03969	2.9
158.08179	0.3
162.03171	0.3
163.03944	0.5
164.04668	0.9
164.07089	0.3
165.05487	6.0
166.04990	2.4
167.07010	0.8
175.03909	43.0
176.04320	0.6
178.04926	0.4
178.08711	0.3
179.07031	2.5
182.08116	8.4
182.09465	0.3
183.06816	0.5
192.04224	0.7
198.11234	1.7
206.04501	1.2
207.06529	100.0
208.06874	1.9
214.12424	0.5
224.09109	0.7
225.07632	0.7
231.04913	0.4
272.09125	0.4
284.14941	2.6
290.10287	0.5
297.18204	0.3
302.06589	1.3
303.05084	0.8
351.10754	6.9
354.43976	0.3
356.68347	0.3
360.16635	0.5
369.11951	3.9
388.23242	2.7
430.31128	0.3
436.21658	0.5
512.71936	0.3
514.30267	0.4
516.20294	0.3
532.23004	0.6
550.17346	0.7
550.28149	1.2
578.69196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01862	1.1
55.05501	0.7
57.02617	0.7
61.02919	0.7
65.03929	0.7
69.03431	3.3
70.06594	6.9
71.04992	0.8
71.18591	1.3
71.18948	0.6
72.08134	1.4
73.02927	0.9
77.03934	0.7
79.05452	0.8
81.03416	5.7
81.07051	1.2
84.08140	0.6
85.02911	5.2
86.09681	1.0
87.00808	0.9
89.03893	0.6
91.05482	21.1
95.04950	2.0
97.02873	1.8
99.04444	1.2
101.05924	0.6
103.05465	1.4
105.03378	1.7
105.07022	1.8
107.04943	2.2
109.02883	4.0
109.10135	0.7
115.05474	0.7
116.07072	2.6
119.04945	32.9
120.04453	1.9
120.08107	1.6
121.02878	1.3
121.06528	0.7
123.04423	3.2
127.03911	2.6
131.04968	0.9
132.02069	0.9
133.02856	0.7
136.07576	6.7
137.05959	1.3
138.41219	0.6
145.02901	1.1
145.04897	1.3
147.03235	1.4
147.04417	27.8
157.03963	2.6
164.04680	0.9
165.05487	5.7
166.04985	2.9
167.07059	0.8
175.03912	48.4
177.05406	1.1
178.04967	1.6
179.07010	2.9
182.08139	9.8
199.08728	0.9
206.04482	2.1
207.06529	100.0
208.06810	2.2
224.09149	0.8
225.10068	0.8
226.10590	1.4
242.10320	1.1
254.10069	1.0
256.11591	1.1
257.12869	1.3
258.13177	1.3
259.04831	0.7
272.06381	1.6
287.05545	5.2
288.05881	6.0
290.10162	0.7
296.11295	1.4
302.06738	1.6
313.11929	1.2
314.12109	3.3
315.12988	1.4
342.11972	1.2
343.12393	2.6
351.10779	5.6
369.11761	4.4
374.14142	0.7
388.23395	1.4
413.57535	0.6
490.15369	4.3
518.14850	5.7
550.17358	9.7
550.30298	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.101
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69501	1.0
70.69859	0.5
77.82011	0.4
79.71311	0.4
80.00413	0.4
108.03247	0.5
120.25308	0.4
135.55470	0.4
240.04655	0.4
241.03348	0.4
242.02661	0.4
243.03442	1.8
253.07442	0.5
258.05737	0.9
268.04269	1.1
270.02304	0.7
270.07605	0.5
271.02982	7.2
282.02280	0.5
285.04361	0.6
286.05334	3.3
299.02490	11.1
300.02911	0.5
309.06317	0.8
312.03275	0.7
314.04810	35.3
315.05069	0.8
319.12534	0.4
327.02005	3.6
342.04294	17.2
343.04660	0.6
355.01303	1.0
359.00891	2.7
367.20111	0.5
370.03793	91.6
371.04111	2.4
388.04849	100.0
389.05270	2.8
516.69446	0.5
550.10156	18.3
551.10449	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95725	0.1
55.05505	0.1
69.03415	0.2
70.65157	0.3
70.65501	0.2
79.05437	0.2
81.00577	0.1
85.02898	0.2
91.05439	0.2
93.07014	0.2
95.08584	0.2
105.06956	0.1
107.04939	0.2
109.02832	0.2
111.08140	0.1
119.04856	0.1
127.03844	0.1
147.01166	0.1
162.47438	0.1
175.03926	0.2
178.04910	0.3
196.24278	0.2
207.06477	0.3
208.06793	0.1
212.06960	0.1
216.06567	0.2
226.04785	0.1
227.05846	0.2
228.06549	0.3
229.07211	0.2
230.04471	0.3
230.08104	0.6
231.08943	0.2
240.06425	0.5
241.07390	0.6
242.05641	0.4
242.08022	0.3
243.05325	0.2
244.06026	3.0
245.15456	0.1
256.06003	0.2
257.06894	1.1
258.07608	6.6
259.08362	1.8
269.06827	2.1
270.07648	1.1
272.05524	5.6
273.06271	0.4
286.03885	0.2
286.07074	7.1
287.07864	35.7
288.08215	1.0
289.05789	1.5
302.10208	100.0
303.10535	1.8
357.67294	0.2
370.12939	0.3
388.13907	0.5
464.09412	0.2
464.15546	2.4
506.16647	2.4
532.14178	0.6
550.15497	14.1
551.15662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22712	3.2
53.03936	16.6
55.01867	5.1
55.05500	16.9
57.07050	6.2
65.03918	4.3
67.05499	43.5
69.03416	15.7
69.07065	32.5
70.74044	7.8
71.05003	4.5
74.32259	3.9
79.05485	33.4
81.03414	56.2
81.06590	5.7
81.07056	100.0
83.04976	9.1
83.08625	7.1
87.65932	3.9
90.11284	3.2
91.05488	43.6
93.07041	51.9
95.04967	26.2
95.08595	55.4
97.06526	6.5
105.07027	61.9
107.04929	3.7
107.08581	58.9
109.06522	28.7
109.10157	39.3
117.06999	20.9
119.08573	77.6
121.06518	5.2
121.10136	64.5
123.08012	6.6
123.11726	22.5
125.09579	4.0
128.06233	6.5
129.06995	13.7
129.97600	4.5
131.08574	43.5
133.10149	48.0
135.08041	17.2
135.11674	34.1
137.09593	8.1
137.13264	6.7
142.07846	8.3
143.08542	23.3
145.10124	47.4
147.08029	7.8
147.11681	31.1
149.09578	14.7
149.13249	9.9
151.11159	30.8
155.08524	11.0
157.10135	31.6
159.11691	39.9
161.09656	24.1
161.13211	18.3
163.11157	14.1
163.14853	6.4
167.08493	3.8
169.10110	9.9
169.12271	5.0
171.08122	4.7
171.11674	18.2
173.09647	10.6
173.13257	27.3
175.03902	4.4
175.11191	9.6
175.14810	12.1
177.12791	12.5
177.16400	8.0
179.14352	4.2
179.23415	3.4
181.10098	8.1
183.11674	11.0
185.09512	4.1
185.13261	19.3
187.14799	15.4
189.12811	8.5
189.16338	22.3
191.10641	3.9
193.12248	9.7
195.11703	7.0
197.13191	8.5
199.11023	6.3
199.14774	19.1
200.15591	23.7
201.12762	10.1
201.16412	24.8
203.14270	4.7
203.17975	5.0
209.13245	8.3
211.14880	5.4
213.16301	9.8
215.14343	3.9
215.17940	36.1
217.15846	4.3
221.13425	5.5
223.14827	4.6
225.16364	4.8
227.14290	11.7
227.17908	7.3
229.19569	6.5
231.17569	5.1
241.15904	6.6
245.15427	5.0
249.16515	4.4
255.17535	7.0
255.21141	6.4
273.22116	12.3
293.19257	6.1
295.24210	5.4
319.24023	7.2
321.25446	6.5
321.86771	3.8
337.25165	12.5
345.25839	8.5
363.26831	67.4
381.27890	93.0
405.20688	5.1
505.36731	5.8
521.25336	5.1
531.38422	8.4
549.25635	24.6
549.39850	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29965	1.8
50.44916	1.8
55.01874	4.6
55.05500	4.7
67.05498	3.5
69.03416	8.4
69.97488	8.7
70.06606	11.9
71.04986	2.1
72.08156	6.6
79.05474	3.4
79.06729	2.1
81.03425	4.3
81.07026	2.6
84.08127	4.1
85.02890	14.8
85.06517	2.7
86.09717	4.2
86.24602	2.1
91.05494	5.4
93.06988	3.4
95.04974	3.3
97.02865	6.1
99.04456	2.6
102.05468	2.5
105.03388	2.5
105.06998	3.1
107.08614	3.2
109.02866	3.4
119.04963	2.8
119.08582	3.0
120.08138	4.0
121.10078	2.8
123.08055	2.5
127.03925	8.6
129.10240	3.0
130.05014	2.1
131.08481	3.1
133.10178	4.0
135.04355	3.1
135.08116	3.0
136.17949	2.0
143.08542	4.2
145.04877	2.1
145.06432	2.5
145.10150	2.8
147.04430	6.2
147.11684	2.3
150.05486	3.6
159.04504	2.5
161.05997	2.7
163.11230	4.7
167.07028	4.2
173.05768	2.5
175.03906	4.0
177.05437	4.5
185.09622	4.2
187.07600	4.0
189.09102	16.4
189.12743	4.6
191.14268	2.6
201.05444	4.8
201.09044	11.0
203.07216	2.1
207.06480	7.8
207.13805	20.7
213.09134	18.6
217.08597	3.2
227.10666	5.7
227.14294	5.6
231.10135	4.7
245.11774	2.5
255.13802	55.6
256.14221	3.6
261.11252	4.3
269.15314	5.2
273.11810	3.0
273.14847	24.4
277.10580	3.3
297.14868	7.0
302.06573	9.7
315.15897	100.0
316.16113	5.1
333.16983	16.5
351.18036	19.0
369.19052	3.5
472.15814	2.1
549.24750	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	549.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
57.70354	0.5
65.03920	1.4
67.05484	1.2
69.03428	3.6
69.07068	1.1
70.06576	1.1
70.88535	1.3
71.04979	0.9
71.66832	0.5
77.03892	0.9
79.05486	2.5
81.03413	4.1
81.07055	4.4
83.04967	1.2
85.02910	3.2
91.05480	20.7
93.07053	4.9
94.06544	0.8
95.04955	4.7
95.07343	0.8
95.08574	1.3
96.02444	0.6
96.08114	2.0
97.02898	1.5
97.06528	0.8
103.05431	1.4
105.03409	1.2
105.07033	4.1
107.04955	1.3
107.08577	5.8
108.08102	3.6
109.02872	1.6
109.06519	1.0
109.10153	1.0
110.09678	1.5
111.20566	0.6
117.07024	1.5
119.04942	25.5
119.08605	2.9
120.08077	2.5
120.50764	0.6
121.06504	1.3
121.10154	6.4
123.04427	1.1
127.03873	1.6
129.06905	0.9
130.07787	1.6
132.02071	1.2
133.10101	1.2
135.04390	0.7
135.07971	0.6
135.11702	4.1
136.07567	3.9
137.05977	2.4
138.09143	2.6
145.10149	7.1
147.04410	22.5
147.11662	0.7
148.07593	1.5
149.02365	0.9
150.08949	0.8
151.03841	1.0
152.59160	0.6
157.03966	2.5
160.07523	0.6
163.03902	1.5
163.11179	30.9
164.04610	1.0
164.07068	0.8
166.08614	2.3
167.07082	1.8
173.09586	0.6
175.03908	45.5
176.04323	0.7
178.04918	0.8
179.03430	1.0
179.07018	2.1
193.04912	1.0
207.06525	100.0
208.06898	1.4
222.07846	0.8
222.38254	0.7
225.10172	0.7
235.08630	2.1
236.09401	1.6
237.10187	7.0
238.11119	0.8
239.11736	1.6
242.08113	1.0
247.08597	0.7
248.09340	1.2
249.10234	11.7
250.10925	2.0
251.11751	2.9
253.09724	2.0
261.10202	2.1
263.08307	1.2
263.11676	1.2
264.08939	1.8
265.09735	12.3
266.10464	2.1
267.08542	0.7
267.11215	4.0
276.08948	2.0
277.07013	0.9
277.09769	7.2
278.10455	3.8
279.11246	4.9
280.12033	2.1
281.09219	0.9
283.10822	0.8
291.07819	1.0
291.11227	2.0
292.12061	1.7
293.09125	2.3
293.12823	3.6
294.09982	1.9
295.10751	1.9
295.13989	0.7
301.07025	1.9
301.14389	1.2
302.06522	3.7
304.08359	0.9
305.09335	1.1
306.09982	2.2
307.10672	2.7
308.07867	1.1
309.08673	2.6
309.12326	2.8
311.10272	1.5
312.11148	1.0
314.12640	0.9
319.10803	4.2
321.12314	1.1
323.10144	1.5
324.11017	1.6
325.11844	2.9
326.12717	1.1
327.13376	1.0
328.14505	1.3
337.11832	4.9
339.13455	6.4
340.14041	0.9
341.31390	0.7
351.10550	3.6
353.11316	0.9
355.12668	0.8
357.14243	1.1
365.11313	3.7
367.12701	0.8
369.11316	3.3
370.11426	1.5
370.15613	1.4
382.11539	3.3
385.13977	4.1
388.16580	0.9
397.13928	10.8
398.14780	1.3
416.15823	1.6
418.17581	3.3
432.19482	1.0
462.20282	1.0
477.18832	2.0
490.19574	2.9
517.18146	2.6
518.19189	5.1
522.22235	2.6
524.12067	0.6
549.19879	1.9
549.32477	1.0
550.21844	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
53.38638	0.5
55.01840	0.6
55.05505	1.0
57.03418	0.8
61.81749	0.5
65.03918	1.4
67.05498	1.1
69.03429	2.6
69.07055	1.3
69.25633	5.5
70.06570	1.1
71.04972	0.9
72.87572	0.6
74.21576	0.5
77.03938	0.7
79.05482	2.4
81.03415	4.3
81.07059	5.1
83.04961	1.2
85.02881	2.2
91.05482	21.4
93.06583	0.4
93.07050	5.9
94.06567	0.9
95.04961	4.9
95.07344	0.7
95.08611	1.6
96.08115	1.2
96.76589	0.5
96.77299	0.5
97.02877	1.1
98.21548	1.2
99.04426	0.8
103.05419	1.5
105.03374	1.5
105.07029	5.3
107.04949	0.9
107.08599	5.5
108.08120	4.2
109.02847	3.0
109.06506	1.0
109.10137	0.6
110.09655	2.7
115.05431	0.7
116.17793	0.5
117.07007	2.2
119.04941	31.0
119.08589	3.0
120.08089	1.7
121.02826	0.5
121.06498	1.8
121.10154	6.1
122.09605	0.6
123.08018	0.6
123.11705	0.5
124.07557	0.7
127.03882	1.2
130.07776	1.7
132.02042	0.7
133.10141	1.3
135.04411	1.2
135.08049	0.9
135.11711	3.9
136.07582	4.6
137.05972	2.9
138.09123	2.4
145.02856	0.8
145.06479	0.8
145.10149	8.7
147.04416	24.8
147.07927	0.5
148.07568	1.4
149.02350	1.5
157.03966	1.9
157.06494	0.5
159.07982	0.5
160.07581	0.6
163.03957	0.7
163.11186	32.4
164.04686	0.9
164.11458	0.5
166.08612	0.9
167.07071	1.8
168.35071	0.5
175.03917	45.3
176.04410	1.1
177.05388	0.9
178.04913	1.0
179.07048	1.7
181.12230	0.6
182.11765	0.7
192.04175	1.4
193.04898	0.9
207.06532	99.8
208.06781	1.4
223.08560	1.2
224.09256	0.7
225.07730	0.5
225.10213	1.3
235.08699	2.5
236.09468	1.4
237.10245	7.4
238.11075	0.8
239.11784	1.1
248.09506	1.9
249.10231	13.5
250.10994	1.8
251.08067	1.3
251.11827	2.3
252.09161	0.7
253.09865	2.5
253.12199	0.7
255.11359	0.6
261.10226	1.4
263.08191	1.3
263.11789	0.8
264.08969	1.9
265.09714	11.5
266.10501	2.2
267.11258	3.7
269.09256	0.8
276.08975	2.2
277.09735	8.0
278.10544	3.5
279.08044	1.3
279.11288	5.7
280.09183	0.7
280.12021	3.0
281.09189	1.7
281.12775	1.7
282.10086	0.6
283.10757	0.8
285.07529	0.6
291.07794	0.8
291.11346	2.3
292.08875	0.7
292.12079	1.8
293.09238	1.6
293.12860	4.1
294.09946	1.7
294.13010	0.6
295.10699	1.5
297.08945	0.5
297.12341	0.9
301.07211	1.9
301.14410	1.1
302.06592	3.4
304.08527	1.2
305.09225	0.8
306.09918	1.9
307.10861	2.6
308.08057	1.3
309.08740	2.7
309.12390	2.3
311.10144	1.5
314.13181	0.7
319.10748	4.0
321.12366	0.9
322.09573	1.1
323.10275	1.6
324.11078	1.9
325.11755	2.2
326.12775	0.7
327.13440	1.9
328.14627	1.1
337.11923	5.1
338.12619	1.0
339.13434	6.3
341.11383	0.8
342.12323	0.6
342.15912	0.8
347.10254	0.9
351.10638	4.0
353.11169	1.2
355.13013	1.6
356.14014	0.8
357.14682	0.8
358.15695	0.7
365.11450	4.6
369.11575	4.1
370.11591	2.1
370.15662	0.9
372.17120	0.6
382.11633	2.9
383.12289	0.7
384.13516	1.1
385.14050	4.3
388.16879	1.0
397.13892	10.5
398.15118	0.9
402.14313	0.8
416.16171	1.1
418.17407	2.6
432.19281	0.8
444.15814	0.6
460.18774	0.7
462.19980	0.9
477.19232	0.9
490.19812	2.6
517.18286	3.2
518.19196	6.6
522.22278	2.4
549.20374	3.7
550.21844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1237
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03953	1.5
55.01867	1.3
55.05499	0.4
57.03437	1.1
61.02932	1.2
61.03181	0.2
65.03928	0.2
67.05491	0.7
68.99782	0.4
69.03428	5.3
69.07062	0.5
69.72395	1.1
70.03738	0.2
70.06594	1.1
71.01351	0.2
71.04974	0.8
73.02906	1.2
79.05478	0.8
81.03418	7.1
81.07079	1.1
83.04963	0.3
85.02906	7.6
86.09696	0.4
87.00823	4.0
91.03948	0.4
91.05441	1.1
93.07028	1.0
95.04965	0.5
95.08582	0.8
97.02885	3.2
97.06474	0.3
99.04452	1.8
103.05526	0.3
105.01855	2.2
105.03410	0.5
105.07011	1.1
107.04957	1.2
107.08585	0.5
109.02879	5.7
109.10127	0.4
117.01860	0.6
119.04942	0.5
119.08546	0.7
121.02859	2.1
121.06496	0.3
121.10149	0.6
123.08072	0.4
123.11721	0.3
123.95161	0.2
124.01566	0.4
127.03912	6.8
129.01865	0.8
129.06960	0.3
131.08569	0.6
133.02809	0.8
133.06505	0.3
133.10089	0.5
135.04448	0.5
135.07961	0.2
136.07574	0.3
137.05960	1.6
143.08478	0.2
145.04945	2.0
145.10164	0.6
147.02899	0.6
147.04381	0.7
147.11696	0.4
151.03867	1.1
159.02896	3.0
163.03885	0.3
163.11131	0.4
166.64993	0.2
167.03429	2.3
167.07059	0.9
173.13188	0.3
175.03917	0.5
175.07527	0.2
177.05513	0.6
178.04881	0.5
179.03374	0.9
181.04889	0.3
184.05247	0.2
193.04984	0.3
197.04485	0.5
199.07466	0.4
207.06525	1.5
211.07535	0.2
213.03831	0.4
217.08620	0.4
227.07114	0.7
231.04921	0.6
255.06554	0.4
255.13791	0.7
256.14120	0.7
257.04510	0.6
258.05215	5.3
272.06708	0.4
273.07666	0.4
283.14352	0.3
286.04691	4.4
300.15918	0.4
301.07053	100.0
302.07465	1.4
345.36752	0.2
357.13467	0.3
370.03772	0.3
388.04846	0.3
454.55338	0.3
483.74289	0.2
517.18207	1.1
549.20477	1.1
557.11951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1243
Annotation	Pratensein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.79714	0.1
53.03939	0.3
55.01860	0.3
55.05501	0.2
65.03925	0.3
67.05489	0.4
68.99770	0.3
69.03414	0.7
69.07045	0.2
70.00806	0.4
70.01203	0.3
70.06583	0.5
71.04992	0.2
72.08162	0.2
72.68302	0.2
77.03918	0.2
79.05472	0.3
81.03432	1.4
81.07037	0.6
83.04976	0.4
84.08134	0.3
85.02886	0.6
86.09702	0.2
87.00816	0.2
91.05473	0.9
93.07033	0.5
95.04934	0.5
95.08595	0.4
97.02892	0.4
98.21410	0.2
99.04459	0.3
102.71940	0.1
105.03356	0.4
105.07003	0.5
107.04943	0.5
107.08568	0.6
109.02872	2.0
109.06506	0.2
109.10128	0.3
119.04942	1.2
119.08611	0.4
120.05690	0.2
121.02831	0.8
121.06503	0.2
121.10151	0.4
123.04330	0.2
123.08080	0.2
125.05928	0.2
127.03896	1.0
131.08534	0.2
132.05573	0.2
133.02846	0.7
133.06480	0.3
133.10149	0.3
135.04376	0.4
137.05980	1.4
138.09126	0.2
145.02846	0.3
145.06473	0.2
147.04410	1.6
151.03915	0.5
157.10089	0.2
160.05217	0.3
161.05925	0.3
162.05469	0.3
163.11130	0.6
167.07007	0.8
168.00528	0.7
175.03897	1.6
177.05399	0.2
181.04860	0.2
184.05127	0.2
186.01608	0.7
193.04968	1.6
195.02861	0.2
195.04382	1.0
207.06531	3.1
208.06863	0.5
213.05421	0.4
225.18951	0.2
234.05170	0.4
240.04172	0.7
249.02156	0.3
253.12299	1.2
257.04410	0.2
258.05212	1.4
270.04990	0.2
271.06067	0.4
271.13272	0.6
283.10718	0.2
285.03912	0.5
285.46353	0.2
286.04715	59.7
287.05103	1.6
300.02573	0.7
300.05826	0.3
301.07056	100.0
302.07391	1.9
387.10410	0.5
415.17239	0.2
463.11963	0.5
549.11865	1.1
549.18445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1241
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03941	0.3
55.01908	0.2
65.03950	0.2
67.05531	0.3
69.03441	0.5
69.38383	1.4
69.38789	0.3
70.06606	0.6
72.08176	0.3
81.03454	0.6
81.07080	0.3
84.08173	0.2
85.02914	1.0
86.09740	0.3
89.46879	0.2
91.05505	0.5
93.07066	0.2
95.05002	0.7
95.08609	0.2
97.02915	0.2
99.04501	0.3
101.64914	0.2
102.23833	0.2
105.03394	8.7
105.07043	0.3
106.03712	2.2
107.08643	0.4
109.02874	1.2
109.06544	0.2
109.10174	0.2
116.07137	0.3
117.07008	0.2
119.05006	0.4
119.08575	0.2
119.39391	0.2
121.02877	0.5
121.10144	0.2
127.03931	0.6
131.08592	0.3
137.05983	2.3
147.04440	0.3
149.06046	0.2
151.03909	0.4
153.01881	0.7
162.05473	0.2
163.03946	0.8
163.11186	0.4
167.07089	0.6
175.04002	0.4
177.05495	0.3
181.04967	0.3
182.72238	0.2
193.04991	0.5
207.06572	0.6
224.10732	2.4
225.11032	2.8
229.04941	0.3
243.12122	0.4
253.04906	0.3
258.05237	12.4
266.55072	0.2
273.04041	0.3
285.03970	0.2
286.04727	35.2
287.05142	0.6
297.03879	1.7
301.07065	100.0
302.07333	1.8
315.01471	0.3
315.05014	4.5
351.19839	0.2
357.12994	0.4
387.14902	0.2
463.12283	1.6
505.13116	0.3
549.12299	3.1
549.19623	0.7
551.01178	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57991	6.1
55.01874	7.6
55.05505	14.6
57.07053	14.2
65.82664	6.0
65.86750	5.9
67.05522	41.2
68.05881	7.3
69.07064	24.2
70.71810	15.8
79.05500	27.8
81.03397	20.9
81.07051	83.9
83.04973	6.6
83.08611	8.8
90.48164	6.2
91.05469	22.3
93.07052	30.1
94.07346	8.8
95.04952	25.4
95.08602	40.0
97.10204	7.7
97.59362	5.5
105.07040	27.9
107.04944	6.0
107.08578	21.2
109.06497	16.4
109.10129	18.8
117.06995	9.6
119.08589	31.9
121.10125	26.0
122.10411	6.0
123.04417	10.5
123.11755	7.6
129.06950	12.2
131.08559	13.9
132.06036	5.9
133.10141	23.9
135.11714	13.2
143.08604	8.3
145.10126	19.1
147.11674	12.1
147.40137	6.0
149.09596	7.5
157.10068	20.0
159.11690	19.3
161.13287	10.4
163.11159	6.7
171.11644	11.4
173.13304	11.8
175.14789	7.0
185.13284	8.8
187.14780	7.9
189.16339	8.1
201.16554	8.1
235.13298	20.1
304.74765	6.9
363.26773	9.5
364.85611	7.2
381.28061	34.4
399.28973	100.0
530.38562	9.4
534.20996	6.6
548.32800	6.0
548.40308	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.4
55.01878	5.8
55.05518	22.1
55.82644	2.8
57.03442	14.9
57.19433	2.5
59.04973	2.8
61.02906	4.1
62.82574	3.0
63.77744	2.7
63.79002	2.7
65.03956	3.1
67.05506	66.3
69.07070	23.3
71.04980	8.2
71.53419	5.8
73.89717	2.6
79.05493	50.7
79.46899	2.8
81.03405	7.8
81.06595	4.1
81.07061	59.3
83.04970	7.7
83.08621	13.6
85.02898	10.0
85.06557	6.4
91.05479	42.1
93.07041	60.9
95.04964	8.5
95.08607	35.9
97.02847	6.5
97.06520	9.7
97.10162	9.2
99.08104	5.0
105.07043	32.8
107.08593	36.5
109.06525	6.6
109.10143	36.7
111.08054	4.9
117.07004	14.5
119.08578	35.3
121.10146	25.7
123.11700	7.9
125.09624	10.7
129.07024	4.3
131.08563	18.2
133.10106	25.7
135.11659	21.4
137.09554	2.8
143.08551	7.6
145.10144	12.1
147.11674	20.7
149.13283	10.5
151.11223	4.6
157.10114	8.9
159.11697	16.2
161.13280	13.9
163.14848	5.3
165.42987	3.4
171.11725	9.8
173.11765	6.2
173.13269	8.4
175.14886	7.1
179.14421	4.6
184.07462	4.2
185.13234	9.4
189.11272	5.4
189.12778	3.2
199.14848	5.9
227.12816	4.5
229.14363	15.6
231.21042	3.9
241.19479	16.4
259.20618	31.1
269.17529	5.7
277.21616	40.7
351.21143	6.4
351.25305	100.0
352.25027	3.4
513.30176	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.05514	28.1
57.03438	24.7
57.83985	5.4
61.02923	8.5
62.59974	5.1
65.64268	5.2
67.05511	55.8
69.03443	4.7
69.07055	20.4
70.06587	15.2
70.98336	12.0
71.04995	7.0
73.94967	4.9
79.05501	40.2
81.03408	5.0
81.07064	55.1
83.04999	7.2
83.08607	10.7
85.02899	9.6
85.06520	5.2
91.05489	41.9
93.07041	80.6
95.04976	10.7
95.08617	46.3
97.02911	7.7
97.06538	5.3
105.07024	34.9
107.08601	49.0
109.10146	20.3
117.07009	14.5
119.08571	33.4
121.10146	39.3
125.09628	6.0
131.08583	15.8
133.10126	30.3
135.11685	27.5
143.08568	7.8
145.10092	16.2
147.11673	20.4
149.13240	21.4
159.11716	23.5
161.13239	15.6
163.14828	7.1
173.13277	11.7
173.45937	5.2
177.12828	5.8
185.13177	6.7
187.14870	9.0
192.29710	4.7
198.86502	5.9
201.16325	6.0
216.99513	4.5
219.17604	6.3
221.18985	5.4
229.14265	7.8
241.19508	13.5
258.88763	5.1
259.20602	42.2
264.91495	6.5
269.17395	16.1
277.21671	34.4
285.63748	5.8
289.74231	4.8
315.29977	5.0
333.24042	6.2
351.25327	100.0
513.30194	8.6
548.23553	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	548.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92152	0.5
53.44697	0.5
55.01845	2.3
55.05482	1.9
57.07044	1.4
59.04993	1.1
67.05471	2.0
67.07124	0.6
69.03414	0.9
69.07051	0.7
69.18895	4.7
69.19303	0.9
70.06561	1.3
71.04967	0.6
76.05838	0.5
79.05486	0.7
81.03391	0.6
81.07037	0.7
84.46870	0.6
85.02874	2.0
85.06557	2.6
86.09678	0.9
91.05445	1.7
93.07024	1.1
95.08598	0.7
97.02881	0.5
97.06480	0.6
105.07035	0.9
109.02933	1.0
117.06996	0.7
119.04912	2.1
119.08575	1.0
121.06490	0.8
131.04900	0.9
135.04408	3.1
142.07765	0.9
143.08524	2.0
145.06487	0.9
145.10130	0.9
147.04379	3.0
147.08051	0.9
149.05949	1.2
155.08517	0.6
157.06424	0.9
157.10115	2.3
157.50925	0.6
159.04396	1.6
159.07954	0.6
161.05908	1.3
161.09648	0.9
167.07181	0.6
167.08559	1.2
171.04408	2.0
171.08031	3.3
172.08783	2.0
173.05943	2.1
173.09598	2.9
175.03885	2.0
175.07535	1.3
177.05409	2.6
177.08949	0.5
179.03380	0.9
179.10841	0.5
181.10194	0.7
183.08075	0.7
185.05972	0.6
185.09622	7.3
186.06674	0.7
187.03918	0.6
187.07573	3.6
189.05446	1.1
189.09103	15.4
194.10947	0.7
195.08037	1.0
197.09647	0.9
198.06700	1.8
199.07559	1.6
199.11183	1.0
201.05397	1.6
201.09108	17.2
202.08827	0.6
203.06958	1.3
203.10574	1.1
207.06563	2.6
207.10083	1.0
208.06924	0.6
208.08850	0.8
209.13043	0.6
211.07733	0.6
211.74484	0.6
212.08266	1.1
212.11992	0.9
213.09102	26.6
213.12624	2.0
213.16170	0.5
214.09435	0.6
215.10663	1.1
217.08586	5.7
219.10106	3.8
222.10564	0.8
225.09094	1.7
227.10735	6.8
227.14267	8.5
229.12109	1.1
231.10146	3.9
233.11720	0.7
237.12714	7.5
239.85548	0.5
240.11502	3.5
241.08638	1.2
241.15955	0.7
243.10283	2.4
245.11795	2.9
247.09682	4.8
249.11165	1.6
251.14326	1.4
253.12410	0.7
255.10298	2.6
255.13794	81.6
256.14172	2.2
257.08197	0.6
259.09692	6.0
261.11206	6.2
269.15479	3.1
271.06027	1.0
273.11609	1.7
273.14844	34.4
279.12296	2.1
285.11148	0.7
297.14841	11.8
303.05164	0.6
311.05719	0.8
315.15897	100.0
316.16183	2.7
333.16971	26.9
334.17343	0.8
387.10825	0.6
549.20978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.27
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31474	0.9
61.04090	0.9
68.93474	1.1
70.06573	1.0
73.03452	0.9
79.60671	0.8
92.26858	0.9
97.20517	1.0
104.10263	0.9
104.54544	1.0
109.39359	1.1
118.98541	1.0
139.38916	0.9
151.74081	0.9
157.10152	2.0
171.04454	1.9
171.07924	1.2
185.09634	3.4
189.09119	3.7
191.71504	1.0
201.09109	6.7
212.08182	1.5
213.09088	24.5
213.11029	1.9
225.09103	1.1
227.10776	5.6
227.14305	9.1
229.12373	1.0
231.10280	1.5
237.12691	4.7
240.11447	3.0
241.15764	0.9
255.10298	3.9
255.13788	58.0
256.13934	1.8
269.15454	3.6
273.14813	5.5
287.05582	2.9
290.51065	1.1
297.14740	6.4
315.15884	100.0
316.16199	2.0
333.16971	4.4
333.78452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92152	0.5
53.44697	0.5
55.01845	2.3
55.05482	1.9
57.07044	1.4
59.04993	1.1
67.05471	2.0
67.07124	0.6
69.03414	0.9
69.07051	0.7
69.18895	4.7
69.19303	0.9
70.06561	1.3
71.04967	0.6
76.05838	0.5
79.05486	0.7
81.03391	0.6
81.07037	0.7
84.46870	0.6
85.02874	2.0
85.06557	2.6
86.09678	0.9
91.05445	1.7
93.07024	1.1
95.08598	0.7
97.02881	0.5
97.06480	0.6
105.07035	0.9
109.02933	1.0
117.06996	0.7
119.04912	2.1
119.08575	1.0
121.06490	0.8
131.04900	0.9
135.04408	3.1
142.07765	0.9
143.08524	2.0
145.06487	0.9
145.10130	0.9
147.04379	3.0
147.08051	0.9
149.05949	1.2
155.08517	0.6
157.06424	0.9
157.10115	2.3
157.50925	0.6
159.04396	1.6
159.07954	0.6
161.05908	1.3
161.09648	0.9
167.07181	0.6
167.08559	1.2
171.04408	2.0
171.08031	3.3
172.08783	2.0
173.05943	2.1
173.09598	2.9
175.03885	2.0
175.07535	1.3
177.05409	2.6
177.08949	0.5
179.03380	0.9
179.10841	0.5
181.10194	0.7
183.08075	0.7
185.05972	0.6
185.09622	7.3
186.06674	0.7
187.03918	0.6
187.07573	3.6
189.05446	1.1
189.09103	15.4
194.10947	0.7
195.08037	1.0
197.09647	0.9
198.06700	1.8
199.07559	1.6
199.11183	1.0
201.05397	1.6
201.09108	17.2
202.08827	0.6
203.06958	1.3
203.10574	1.1
207.06563	2.6
207.10083	1.0
208.06924	0.6
208.08850	0.8
209.13043	0.6
211.07733	0.6
211.74484	0.6
212.08266	1.1
212.11992	0.9
213.09102	26.6
213.12624	2.0
213.16170	0.5
214.09435	0.6
215.10663	1.1
217.08586	5.7
219.10106	3.8
222.10564	0.8
225.09094	1.7
227.10735	6.8
227.14267	8.5
229.12109	1.1
231.10146	3.9
233.11720	0.7
237.12714	7.5
239.85548	0.5
240.11502	3.5
241.08638	1.2
241.15955	0.7
243.10283	2.4
245.11795	2.9
247.09682	4.8
249.11165	1.6
251.14326	1.4
253.12410	0.7
255.10298	2.6
255.13794	81.6
256.14172	2.2
257.08197	0.6
259.09692	6.0
261.11206	6.2
269.15479	3.1
271.06027	1.0
273.11609	1.7
273.14844	34.4
279.12296	2.1
285.11148	0.7
297.14841	11.8
303.05164	0.6
311.05719	0.8
315.15897	100.0
316.16183	2.7
333.16971	26.9
334.17343	0.8
387.10825	0.6
549.20978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
53.03937	2.5
55.01876	1.1
55.05514	3.2
56.78931	0.6
57.03425	0.8
58.06594	5.7
60.06797	0.7
65.03925	1.4
67.05495	2.0
67.94561	0.6
69.03429	3.8
69.07056	1.0
70.06585	5.4
71.04999	0.6
72.08173	1.0
77.03925	2.0
79.05489	1.4
81.03424	4.9
81.07048	2.6
81.35745	0.7
83.04971	1.2
83.08603	0.9
84.08159	1.0
85.02898	2.7
85.06533	0.7
86.09706	1.8
91.05479	17.7
93.07051	1.2
95.04958	4.1
95.08611	1.2
97.02859	1.8
99.04440	1.0
100.11276	3.4
105.03390	82.9
105.07028	1.7
106.03702	0.8
106.62837	0.7
107.04942	1.6
107.08582	1.3
109.02876	3.1
109.10143	1.1
111.04426	1.6
112.07613	1.0
116.07111	0.8
119.04943	28.2
119.08525	1.5
120.08083	1.0
120.70960	0.7
121.10159	1.1
124.07527	1.0
127.03913	3.0
131.04921	1.1
132.02083	1.5
133.02856	1.3
134.06032	1.0
137.05994	1.5
145.06474	0.7
145.10146	0.8
147.04411	26.4
147.11681	0.7
149.02353	2.7
151.03857	0.9
154.08511	0.8
155.07008	0.8
157.03941	1.9
159.11569	0.7
162.05453	1.1
162.09131	10.2
163.07524	13.0
164.04700	0.8
167.03401	2.7
173.09644	1.0
175.03909	46.0
177.05511	0.8
178.04936	0.9
179.06999	2.0
180.10196	63.5
182.15439	3.0
187.11147	0.7
192.04134	0.9
207.06529	100.0
208.06877	1.7
209.16438	1.1
210.14931	3.4
212.10707	0.9
225.07593	0.8
231.02820	1.1
255.13875	2.2
271.06088	1.0
271.13382	3.5
272.06500	0.8
288.08615	1.0
288.86136	0.6
301.07153	0.8
313.50345	0.7
315.15933	1.0
351.10803	6.6
365.69235	0.7
369.11804	12.3
386.12402	1.0
453.83936	0.7
462.13455	0.8
512.36322	0.8
530.35675	0.6
539.37616	1.1
547.34058	1.2
548.20172	1.3
548.34601	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	548.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03593	0.3
53.03941	2.3
55.05505	0.7
62.77227	0.3
67.05497	0.8
69.03424	1.3
69.07063	0.7
70.06596	2.2
71.04999	0.4
72.08162	0.7
75.41615	0.4
76.67677	0.4
77.03934	0.6
81.03438	2.2
81.07030	0.7
83.04972	0.4
84.08147	0.8
85.02905	2.0
85.06534	0.4
86.09708	0.9
90.05508	0.6
91.05463	1.2
91.06045	0.3
93.07035	1.1
93.53133	0.3
95.04971	3.7
95.08603	1.3
97.02900	1.4
97.06527	0.6
99.04443	1.2
100.11240	0.5
103.07054	0.4
105.03391	100.0
106.03722	0.6
107.08604	0.6
109.02885	1.5
109.10135	0.6
116.07079	1.5
117.13760	0.5
119.04952	0.9
119.08584	0.9
120.04422	0.4
121.06517	0.4
121.10180	0.6
123.04436	0.4
127.03907	2.0
129.67061	0.4
133.02771	0.5
133.10138	0.7
135.04457	0.8
135.36292	0.4
137.05978	0.8
145.10147	0.5
147.04385	0.9
147.07954	0.4
153.01776	0.4
162.05453	0.6
167.07039	0.4
173.13379	0.5
175.03995	0.9
175.07716	0.5
176.07083	2.2
178.05046	1.9
182.15340	0.6
193.04980	0.8
206.04480	0.6
207.06583	1.3
214.08821	0.7
220.11777	1.0
224.10706	47.4
229.64000	0.6
237.12442	0.4
242.11758	4.3
258.05167	2.7
268.03375	0.4
286.04727	10.4
300.15970	1.3
301.07068	26.1
314.82336	0.4
548.18585	0.9
549.12347	0.9
549.20007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56872	0.1
53.03881	0.1
55.01801	0.2
55.05432	0.2
57.03363	0.2
65.03873	0.2
67.05405	0.4
69.06979	0.2
70.06486	0.6
70.75130	0.3
79.05394	0.4
80.04920	0.2
81.03305	0.6
81.06940	0.6
81.07365	0.2
83.04882	0.2
85.02823	0.2
86.09647	0.2
91.05358	0.7
93.05661	0.6
93.06168	0.2
93.06958	0.3
94.06445	1.2
95.04860	0.3
95.08461	0.4
97.02802	0.2
100.07508	0.3
105.03244	0.2
105.06908	0.5
106.06455	0.3
107.04856	0.3
107.07231	0.4
107.08508	0.3
108.07980	5.4
108.08770	0.4
108.18617	0.2
109.02785	0.3
109.06416	0.3
109.10114	0.3
116.98777	0.1
118.06429	0.2
119.08533	0.2
120.07970	0.5
121.06376	0.5
121.10007	0.2
122.05888	0.6
122.09526	0.5
122.10331	0.2
128.06972	0.2
131.07214	0.2
131.08459	0.2
132.08015	0.2
133.10074	0.2
134.05884	0.3
135.04330	0.3
135.06772	0.7
136.07574	9.6
136.08534	0.5
138.09015	0.3
145.06406	0.2
145.09976	0.2
146.05884	0.2
147.04314	0.2
148.07404	0.4
150.09151	0.7
152.06931	0.5
156.08040	0.2
159.07919	0.2
160.07394	0.2
162.05388	0.5
163.06129	0.4
163.07404	0.2
164.07089	1.6
166.08534	0.3
167.06958	0.2
173.09581	0.2
174.08974	0.5
175.11096	0.3
178.04915	0.3
178.08426	0.5
180.10091	0.2
182.09529	0.2
184.07381	0.2
194.08075	0.2
196.09618	0.2
199.08560	0.2
200.06732	0.1
200.51091	0.2
202.08524	0.3
204.10123	0.4
206.08287	0.2
207.09081	0.4
208.09842	0.2
209.10567	0.4
211.08466	0.4
212.09328	0.2
219.09036	0.5
219.13925	0.2
220.09904	0.7
221.10571	0.6
222.07657	0.6
222.11401	0.2
223.08626	0.9
225.10133	0.3
233.06964	0.2
234.07657	0.3
235.08644	3.1
236.09447	2.2
237.10234	5.1
238.10820	0.4
239.08086	0.3
247.06335	0.2
247.08678	2.3
248.09460	4.1
249.10233	8.4
250.10963	1.3
251.08139	1.2
251.11806	1.3
252.08800	0.5
253.09557	0.3
255.13634	0.2
259.15280	0.3
261.10205	1.3
262.07248	0.2
262.10870	0.5
263.08029	2.6
263.11597	1.4
264.08905	4.0
265.09723	6.2
266.10541	2.0
267.11105	0.4
267.15796	0.3
269.08945	0.2
273.10117	0.3
275.08047	1.0
275.11319	0.3
276.05820	0.3
276.08929	5.6
277.09723	10.7
278.10474	3.4
279.07562	0.9
279.11136	3.5
280.11911	0.7
281.09317	0.4
281.12692	0.6
282.09985	0.2
285.12576	0.3
286.13428	0.3
287.07843	0.2
288.08969	0.2
289.09714	1.3
290.10367	0.4
291.07541	1.2
291.11136	2.9
292.08295	1.5
292.11774	0.4
293.09076	2.9
293.12714	2.2
293.16473	0.2
293.17505	0.2
294.10025	1.1
295.10767	0.5
296.11911	0.2
297.12497	0.5
298.13196	0.6
299.14215	0.3
300.15085	0.4
301.07022	0.3
303.07571	0.6
303.10962	0.2
304.05368	0.2
304.08475	2.2
305.09171	4.1
306.09998	1.3
307.07214	0.3
307.10751	4.3
308.11526	0.5
309.08560	0.5
309.12241	1.1
310.09750	0.3
310.13217	0.5
311.10437	1.3
311.13928	0.2
312.11209	0.7
312.14902	0.5
312.23083	0.3
313.11984	0.7
314.12762	0.6
314.16449	0.3
315.13541	0.4
316.14545	0.2
319.10757	14.9
320.07977	0.3
320.11356	0.8
321.08856	0.3
321.12344	1.6
322.09451	0.4
322.13284	0.2
323.10303	0.7
324.11273	0.9
324.14838	0.3
325.08444	0.2
325.12042	2.1
326.09488	0.3
326.12958	4.6
326.16479	0.3
327.10754	0.2
327.13730	1.8
328.11420	0.2
328.14484	2.7
329.15314	0.3
330.15854	0.4
332.07874	1.4
333.08780	1.6
335.10260	1.8
336.11078	0.2
337.08112	0.5
337.11813	1.1
338.09686	0.2
338.12900	2.5
339.09888	1.2
339.13593	1.5
340.10696	1.3
340.14346	2.6
340.22733	0.9
341.11511	2.3
341.15237	0.7
342.12198	1.4
342.15964	2.0
343.13104	0.5
343.16751	0.2
344.14078	0.3
344.17526	0.4
347.10254	3.4
350.08823	0.2
350.12790	0.6
351.09787	2.7
351.13568	0.3
352.10571	1.0
352.14407	1.6
353.11465	4.0
353.15292	0.4
354.12326	8.2
354.16071	1.0
355.13147	3.6
355.17239	0.3
356.13953	4.8
356.17627	0.2
357.14743	0.7
358.11774	0.2
358.15530	1.1
363.09528	0.3
364.14035	0.3
365.11325	7.2
366.12317	3.2
366.16229	0.2
367.09235	0.2
367.13199	2.4
368.14066	6.6
369.10791	0.7
369.14938	1.7
370.11713	0.6
370.15594	4.5
371.12125	0.2
371.16431	0.7
372.13174	0.4
372.17050	1.3
378.12442	0.4
379.13010	0.6
380.09967	0.3
380.14099	2.1
381.10706	1.9
381.14874	0.5
382.11688	5.5
382.15665	1.8
383.12402	2.7
383.16306	0.3
384.13300	4.4
384.17200	0.6
385.14066	0.6
385.23450	0.2
386.14914	2.1
386.18842	0.4
386.22699	1.2
388.16586	0.2
392.13898	0.5
394.11444	1.4
395.12701	1.4
396.13431	7.7
397.14362	2.0
398.15079	6.3
399.16068	1.4
400.16867	3.5
401.17303	0.6
402.14264	0.5
406.11694	0.2
407.12640	0.2
408.13556	1.8
409.14560	1.2
410.10391	2.7
410.15094	1.8
411.11456	1.4
411.16080	0.6
412.11798	1.6
412.16638	1.4
413.13486	0.3
414.13559	2.2
414.18332	1.2
416.19717	0.6
420.13397	0.3
421.14621	0.2
422.10788	0.3
423.12100	0.5
424.12756	3.3
425.13751	0.6
426.14297	3.9
426.19180	0.3
427.15588	1.0
428.11841	1.1
428.16077	2.5
429.16989	0.9
430.12820	0.7
430.17981	0.4
436.13028	0.4
437.13620	0.3
438.10641	0.7
438.15372	0.3
439.15063	0.5
440.16522	2.5
442.13202	2.2
443.14600	0.2
444.20065	2.4
445.16385	0.3
452.12357	2.7
453.13123	0.3
454.13605	1.0
455.14584	0.4
456.10947	1.9
457.16425	0.5
458.17172	0.7
459.27164	0.5
460.18842	1.1
466.14023	0.3
468.16092	0.3
470.12546	2.5
471.14276	0.5
472.19046	2.6
473.15594	0.4
474.16751	0.2
477.28357	0.4
480.15253	0.3
483.14432	0.2
484.14523	0.2
485.15714	0.3
486.16739	1.6
488.18149	3.8
489.18594	0.2
498.16550	2.2
501.15179	0.4
502.19659	0.2
504.21390	0.8
516.17657	100.0
517.17920	2.5
548.20300	58.0
549.20709	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	548.1916
Annotation	Cyclorocaglamide
Peak:m/z	Relative Intensity
50.74098	0.3
54.56491	0.4
67.05489	0.6
69.07022	0.5
69.49100	0.9
69.49517	1.6
74.56441	0.4
75.07130	0.3
79.05470	0.6
79.61971	0.3
80.05025	0.8
81.07008	1.1
89.97832	0.3
89.99401	0.4
91.05436	0.9
93.07069	0.6
95.04941	0.4
98.20724	0.4
101.54750	0.3
103.05421	0.7
107.04941	0.4
108.04440	0.8
121.06435	0.7
131.04866	0.7
135.04382	0.4
136.03905	1.3
147.04347	0.4
149.05864	0.5
161.06053	0.5
161.17917	0.4
167.06989	0.7
177.05432	0.6
190.09885	0.4
191.07019	0.5
192.07796	0.5
201.05533	2.1
214.04930	0.9
226.05026	1.1
227.05518	0.4
239.05806	0.8
239.09477	0.4
240.06468	1.2
240.10204	0.4
242.04477	5.4
244.06070	1.1
246.08971	0.4
252.06635	1.2
253.07304	0.4
254.04384	1.7
254.08374	0.5
254.11685	0.6
255.05299	2.7
259.04712	0.6
264.06479	0.6
264.10187	0.8
266.04333	0.4
266.08234	0.5
267.05289	7.7
267.08441	0.5
268.06018	3.4
268.09381	0.6
272.05508	0.6
277.07281	0.4
278.08130	1.5
280.06061	10.8
280.09247	0.8
281.03531	0.4
281.06808	1.4
282.04025	0.4
282.07697	0.7
282.11148	0.7
283.04813	1.3
284.05490	3.7
292.06491	0.5
292.09641	4.4
293.06927	0.6
294.07590	2.2
295.05017	0.7
295.08270	2.4
296.05618	1.5
296.09155	1.5
297.06226	0.6
298.07037	0.6
306.07819	1.8
308.05496	3.5
308.09198	1.5
309.06372	1.0
310.07211	4.3
310.10696	54.7
311.11069	1.2
320.09119	1.2
321.09732	0.4
322.07104	0.8
322.10742	1.5
323.07809	1.2
324.08658	2.1
325.09354	0.7
336.12296	0.8
338.10220	51.8
339.10599	1.4
340.11813	1.7
366.09366	0.4
395.69162	0.4
500.13211	2.3
518.14313	0.4
518.18207	0.4
530.18475	2.8
533.17169	0.5
548.19128	100.0
549.19403	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	547.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97609	4.1
53.03927	6.9
54.42806	4.4
55.01852	6.2
55.05517	37.7
57.03426	10.4
57.07059	13.2
67.05174	7.2
67.05505	82.4
68.05772	4.4
69.07072	31.1
71.08640	6.9
71.52843	5.4
79.05493	48.0
81.03416	32.2
81.06598	5.3
81.07058	100.0
83.04961	8.3
83.08619	27.2
91.05489	30.9
93.07047	55.2
95.04959	19.5
95.08612	59.4
97.06506	9.7
97.10153	15.9
105.07039	41.3
107.04945	10.1
107.08582	44.5
109.06503	7.3
109.10150	28.6
110.53181	4.2
117.07032	10.0
119.08559	32.8
121.06487	7.5
121.10151	27.4
123.11704	9.7
125.09599	9.3
129.07008	5.2
131.08554	20.2
131.31934	4.6
133.10193	22.2
135.11684	9.5
145.10133	20.7
147.11638	12.2
149.09651	9.3
149.13261	12.9
157.10077	10.6
159.11726	8.0
161.13228	9.2
163.14824	7.1
165.16426	5.0
168.43207	4.6
171.11734	5.6
173.13255	9.1
175.14790	6.8
177.12723	5.9
186.92711	4.4
189.11224	9.4
193.12241	21.8
223.14984	6.2
227.12717	14.9
249.14919	4.9
261.22177	5.6
267.15982	31.7
275.20166	6.4
287.23779	7.8
303.26678	12.8
335.25897	7.5
337.27399	23.8
437.34073	9.1
455.35046	24.3
473.36191	12.9
529.38861	80.4
547.40106	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.9
51.74681	0.8
53.03941	4.6
55.01871	1.3
55.05505	1.0
56.05016	1.4
57.03431	1.5
60.04525	1.0
65.03963	1.0
66.30141	0.9
66.98299	0.7
67.05493	2.9
68.99783	1.8
69.03416	3.1
70.06591	19.6
71.04990	0.9
71.53009	1.2
71.89139	0.8
72.08135	1.7
76.02222	1.4
77.03912	1.8
79.05489	2.1
81.03410	3.1
81.07051	2.8
84.04512	0.9
84.08131	2.7
85.02899	9.0
86.09708	3.0
87.00806	1.0
91.05485	3.0
93.07039	3.0
95.04966	13.6
95.08591	0.8
97.02882	2.1
97.06577	0.9
99.04460	1.5
103.05510	1.3
105.03391	100.0
105.07038	2.8
106.03686	0.9
107.04996	1.5
109.02882	3.0
109.06549	1.1
109.10090	1.2
110.07153	0.9
112.07620	1.3
112.08759	0.8
116.07111	2.0
117.05506	1.4
117.07055	1.1
119.04954	1.5
119.08553	1.7
120.08109	2.4
121.02849	4.4
121.06515	3.7
121.10132	1.1
122.06017	1.0
123.05555	2.7
127.03896	2.4
128.07108	2.0
129.06950	0.9
129.10271	1.2
131.08571	0.8
133.06494	1.7
135.04404	1.6
136.07561	1.6
137.06006	1.7
141.07010	1.1
144.71530	0.8
145.02844	0.9
145.06523	1.0
147.04420	3.5
149.05908	1.7
151.03931	1.8
154.04994	0.8
159.08005	0.8
159.11642	0.9
161.06015	2.8
167.07077	1.0
171.07999	1.7
173.06010	1.9
173.11748	0.9
174.09088	1.1
175.03882	1.6
175.07576	1.3
177.05496	2.7
178.05029	1.7
179.04860	1.5
179.07144	1.2
181.04944	0.8
181.06529	0.9
187.03902	0.8
187.07549	1.0
189.09099	1.4
191.03355	0.8
197.05949	0.8
199.07605	1.6
201.01953	1.2
201.05418	2.6
201.09073	1.2
203.07024	2.3
205.04947	1.6
205.08626	1.3
206.04478	1.9
207.06544	1.6
209.61125	0.8
213.12523	0.8
215.03401	1.3
215.07024	1.4
217.04984	6.8
219.06479	1.4
220.32024	0.8
223.13437	0.9
223.75978	0.8
227.06993	1.1
229.04878	6.8
231.06444	1.4
235.06044	2.9
239.07048	1.1
243.06667	1.9
245.08156	1.8
247.06030	5.1
251.07053	1.1
253.05049	0.8
255.13800	2.9
259.05917	1.4
267.06552	2.9
269.08029	1.3
271.06100	5.7
272.06329	1.8
273.14786	1.0
276.10104	1.8
279.06512	1.2
283.06198	1.0
285.07648	0.8
287.09348	1.0
288.05173	2.0
295.06049	3.4
295.09674	6.3
297.15009	0.8
307.09641	8.8
308.09415	1.1
313.06888	4.4
315.15881	2.0
321.11386	1.4
324.12332	3.0
325.10828	1.0
342.13342	6.9
345.11325	2.3
349.10669	7.9
354.13507	0.9
355.10138	1.0
361.10638	2.0
366.13342	9.1
373.10687	8.2
386.12427	2.4
390.13120	1.1
391.11752	7.9
408.14420	2.5
444.16675	1.3
450.15408	1.3
468.16428	9.1
469.14746	1.1
477.21286	1.1
486.10330	1.2
486.17590	26.2
512.15411	4.2
530.16528	40.2
531.16797	1.1
548.17273	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	547.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.9
55.01860	9.1
55.05262	4.9
55.05511	46.3
57.03426	13.7
57.07067	6.5
65.03940	7.2
67.05505	85.1
69.03424	5.1
69.07066	38.1
69.16199	2.9
69.16557	3.6
71.04993	4.3
71.08613	5.0
71.53491	3.9
72.04510	7.3
73.21770	2.9
79.05491	50.7
81.03420	51.3
81.07055	98.4
82.07321	2.9
82.91209	2.6
83.04968	7.0
83.08627	41.1
85.06546	4.3
85.10181	4.3
91.05488	43.0
93.07041	46.3
94.07346	3.2
94.47426	2.6
95.04974	39.1
95.08605	66.1
96.08926	3.4
97.06528	10.7
97.10175	20.0
99.08103	3.4
105.07029	29.9
107.04958	14.5
107.08591	29.0
109.06532	7.4
109.10155	28.6
111.08092	11.2
111.11746	4.1
117.07025	11.1
119.08600	28.1
121.06496	12.9
121.10152	23.5
123.08102	7.3
123.11729	14.6
125.09636	12.5
129.06992	8.7
131.08566	17.3
133.10109	15.7
135.08054	3.9
135.11711	13.6
136.12128	3.2
143.08556	5.6
145.10143	14.2
147.11702	15.3
149.09613	5.4
149.13220	6.6
151.15005	3.4
157.10115	6.7
159.11742	8.5
161.13226	6.4
163.11195	6.5
163.14813	4.9
173.13202	2.8
175.09503	2.4
175.11259	8.8
175.14807	5.2
177.12724	4.6
177.16409	3.1
179.14276	2.8
189.11263	8.5
189.16327	3.0
193.12270	31.2
205.12183	4.3
211.13292	8.7
221.82661	2.7
227.12828	15.0
245.22641	5.5
263.23801	10.9
267.15927	44.9
289.21680	7.1
301.25192	3.4
303.26868	14.0
337.27426	40.9
437.34378	8.1
455.35168	20.3
473.36630	14.9
529.38904	78.9
530.39606	6.5
547.39899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.6
53.73609	0.4
55.05471	1.2
55.96831	0.4
57.03401	0.5
57.29667	0.4
57.42073	0.5
62.02164	0.4
67.05456	1.4
68.99788	0.7
69.03391	0.8
69.07043	1.1
70.06570	1.0
71.04958	0.7
79.05443	1.7
81.03417	2.7
81.07041	2.3
83.04956	0.9
84.04431	0.7
84.08093	0.5
85.02898	2.4
85.06532	0.5
91.05437	1.8
93.06990	1.7
95.04914	1.9
95.08564	1.9
97.02885	0.5
97.06522	0.5
97.10130	0.8
105.06975	1.7
107.08534	2.0
109.02852	0.7
109.10110	1.2
117.06992	0.8
119.04949	1.1
119.08540	1.5
121.02850	3.5
121.06477	0.7
121.10091	1.2
124.01514	0.7
127.03894	1.1
131.08531	1.4
133.10075	0.9
135.11667	0.7
137.05997	0.6
143.08534	0.6
145.02791	0.5
145.06538	0.5
145.10060	1.3
159.07927	0.4
163.03905	2.5
163.11147	0.8
165.01892	0.5
173.09601	0.6
175.03889	0.6
175.11035	0.4
181.04897	0.5
187.03857	0.9
195.02885	1.1
213.05539	0.9
227.12630	0.5
229.04958	0.6
242.05745	9.0
253.04910	2.9
256.07318	1.4
267.15961	1.2
267.76691	0.5
268.07242	0.6
268.16367	0.9
268.27725	0.6
270.05255	3.6
271.05844	0.9
273.03888	1.8
283.06015	5.4
283.15204	0.8
284.06808	5.9
284.15823	0.6
285.03931	4.2
285.07526	1.6
295.05972	1.1
297.04019	3.7
299.05643	3.7
309.03882	0.7
309.07437	0.7
311.05560	2.6
313.07059	100.0
314.07498	2.7
315.04968	11.4
325.10699	20.4
353.10190	20.1
385.12820	70.8
386.13168	2.1
475.12506	2.3
476.27191	1.5
503.26181	1.3
515.16199	0.6
547.18115	30.0
547.25317	2.5
547.34967	1.8
548.18439	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.2
55.01870	0.2
57.03415	0.1
58.28699	0.1
62.01280	0.1
67.01856	0.3
67.05490	0.2
68.99808	0.3
69.03415	0.5
69.07049	0.1
70.06588	0.3
72.34863	0.1
79.05488	0.3
81.03409	0.6
81.07076	0.3
83.04974	0.1
84.08138	0.1
85.02901	0.8
86.09686	0.2
87.04446	0.2
91.05478	0.8
92.05785	0.1
93.07041	0.8
94.07365	0.2
95.04950	0.2
95.08601	0.2
97.02877	0.4
98.20638	0.2
98.95396	0.1
99.04494	0.1
105.03376	0.2
105.07043	0.3
107.04913	0.2
107.08630	0.2
109.02853	0.3
109.10226	0.1
115.03912	0.2
119.04939	1.4
121.02881	0.6
121.06551	0.1
121.10136	0.6
127.03950	0.6
129.07008	0.1
131.08525	0.2
145.02820	0.6
145.04938	0.4
145.10120	0.2
147.04369	0.2
153.01834	4.2
159.11716	0.2
163.03932	0.3
167.07076	0.2
171.02902	0.7
174.09134	0.5
175.09512	0.2
177.67197	0.1
187.09650	0.1
200.10754	0.2
203.07103	0.2
207.06532	0.3
218.11700	0.8
219.12086	0.6
225.05554	0.5
229.04964	0.3
242.05853	0.1
242.08138	0.2
243.06464	0.2
247.06125	0.2
259.08148	0.2
271.06012	100.0
272.06351	2.4
284.06750	0.2
285.07364	0.2
298.20221	0.1
299.09137	1.2
313.07132	0.3
352.09433	0.4
367.11780	2.0
380.16946	0.3
381.17279	0.3
523.09534	0.1
528.25684	0.2
529.26239	2.2
547.14325	1.6
547.27319	0.4
547.34808	0.3
562.52161	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	546.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63678	1.5
53.03937	3.8
55.01873	2.7
55.05510	9.2
56.05018	4.9
57.03438	1.6
57.07080	3.8
60.04524	72.4
62.01989	1.6
67.05501	12.8
69.03418	1.7
69.07074	11.8
69.20901	10.2
69.21317	6.9
70.06590	3.5
71.05003	9.9
71.08633	3.1
72.04509	2.5
74.06062	4.0
79.05495	12.8
80.05005	3.6
81.03409	13.2
81.07053	17.1
83.08599	3.6
85.02897	2.4
85.06539	4.5
88.07640	1.8
90.05542	1.9
91.05466	2.3
93.07056	11.6
94.06561	8.8
95.04967	5.3
95.08603	22.3
96.08117	2.5
97.06517	7.1
97.10171	2.2
98.06049	4.0
98.09684	2.4
99.08089	4.7
105.07038	6.9
110.09668	4.6
111.08099	5.3
112.11258	1.9
122.09681	14.4
123.08061	25.3
125.45971	1.5
128.10724	13.9
140.10701	99.8
141.09105	11.4
141.11038	2.0
158.11743	12.3
158.12813	1.6
176.12866	12.8
194.13905	2.6
202.14742	1.5
213.03967	2.0
271.78799	1.7
361.43356	1.6
370.36789	5.8
386.19061	1.7
419.51694	1.6
453.35583	2.2
492.44232	7.3
510.45160	38.5
526.25159	2.0
528.46234	100.0
546.47418	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	546.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
53.97895	2.1
55.01870	2.9
55.05510	11.8
56.05830	2.2
57.03439	2.8
58.66202	1.9
64.86771	2.1
67.05514	18.2
67.59769	2.1
68.05820	3.9
69.07059	7.9
71.05005	3.0
71.52854	3.3
79.05497	24.2
80.05844	3.8
81.03429	4.6
81.07056	58.6
82.07404	3.7
83.04971	4.0
83.08629	8.2
91.05492	17.1
93.07046	16.5
94.07391	2.6
95.04983	7.1
95.08606	21.1
96.08926	2.6
97.06531	4.2
97.10177	6.4
105.07021	10.5
107.04986	2.4
107.08587	18.4
108.08955	2.3
109.06526	22.9
109.10185	11.1
110.10493	2.2
111.08127	2.0
115.47855	2.0
117.07034	3.5
119.08583	13.6
119.43343	1.9
120.08877	2.8
121.06503	3.9
121.10149	10.1
123.08090	3.7
123.11736	5.6
125.09684	3.1
129.07005	2.9
131.08600	10.0
132.08884	2.5
133.10109	17.1
134.10446	2.4
135.08043	7.4
135.11710	5.9
143.08621	2.5
145.10159	12.1
147.11710	8.9
155.08542	3.3
157.10104	8.0
159.11713	11.3
160.12106	3.1
161.09689	2.9
161.13347	4.4
163.11195	4.3
167.08545	2.3
169.10091	2.4
171.11722	6.7
173.13274	6.8
175.03841	2.2
177.12807	3.2
183.11685	2.9
185.13319	6.2
187.14832	5.1
189.12726	3.3
197.13371	3.7
199.14830	3.3
209.13341	2.6
211.14732	3.3
213.16470	3.6
215.14349	2.8
245.18964	3.1
289.21686	8.6
291.01794	2.7
302.25574	3.0
311.23807	2.9
327.23026	2.5
337.25366	2.6
351.26627	5.4
369.27386	3.1
379.26291	12.5
397.27414	100.0
398.27579	2.7
451.32150	4.1
454.33823	3.8
469.32974	2.6
472.35168	2.8
528.37811	19.5
546.30817	3.3
546.38611	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	546.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.0
55.01851	8.2
55.05513	10.3
60.31141	5.2
64.57320	5.8
67.05501	33.9
69.03424	26.4
69.07053	17.6
69.21108	57.4
70.06260	8.2
70.06597	100.0
71.04970	18.3
72.08134	21.9
73.02908	5.0
74.41440	4.8
79.05467	17.6
81.03407	23.5
81.07047	21.1
82.06578	7.3
83.04973	13.7
84.04459	7.4
84.08128	19.7
85.02909	27.1
85.06542	10.2
86.06053	15.2
86.09707	31.9
91.05485	28.8
93.07046	20.3
94.06551	6.9
95.04950	25.4
95.08598	14.8
97.02863	14.9
99.04495	9.1
100.07600	11.6
101.07081	5.6
105.03397	11.1
105.07021	8.4
107.08602	11.9
109.02858	21.6
109.06532	5.7
109.10170	7.0
110.96020	4.8
111.08051	5.6
112.07586	11.7
114.05473	8.3
116.07104	16.4
116.10732	12.8
117.07024	6.1
119.04977	15.3
119.08557	8.7
120.08121	6.7
121.02837	27.5
121.06474	12.6
121.10120	10.5
123.04437	6.8
123.07958	6.9
123.11596	5.4
127.03935	13.2
128.07086	59.3
129.07002	8.8
131.08562	6.5
132.07968	6.2
133.10109	6.6
135.04359	7.1
135.08052	7.8
136.07526	11.7
138.05481	17.2
143.08572	8.5
145.04987	8.4
145.06523	6.5
147.04398	20.6
147.08032	9.0
148.07520	8.9
151.07451	8.0
154.08667	6.9
157.09967	8.8
159.04535	6.2
159.08070	7.4
160.07597	6.5
161.05975	6.8
162.05508	66.4
162.09056	9.3
167.07083	11.3
173.05891	5.6
175.03877	52.3
175.07524	5.6
175.78023	5.6
177.05487	16.6
178.04936	30.6
185.09613	8.4
187.03958	13.0
187.07431	11.6
188.07918	6.7
189.05577	9.5
189.09070	34.1
200.10777	6.2
201.05478	7.9
201.09123	28.2
202.09222	24.8
205.08473	6.4
206.04471	7.8
207.06488	43.7
211.07620	7.9
213.09189	11.3
215.03448	6.9
215.10594	6.3
229.08606	40.3
230.08939	25.9
231.06668	7.0
231.10120	18.9
241.08493	12.3
241.12164	9.1
243.10181	28.2
247.09679	21.2
249.11121	7.6
253.12331	9.9
261.11151	16.5
270.17014	38.9
271.13278	29.3
280.18951	8.8
306.10220	10.4
310.21600	7.0
313.14270	56.8
319.21295	5.8
331.15463	39.7
338.21121	10.0
349.16397	15.0
366.16824	11.3
375.11874	6.7
384.21722	23.6
478.16385	8.0
496.17255	33.3
512.94525	6.5
528.20038	13.7
546.19373	17.5
546.27673	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	546.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
55.01854	0.3
55.05517	0.3
57.03431	0.6
60.04522	0.3
61.02914	0.3
65.03932	1.4
67.05490	0.9
69.03428	3.1
69.07049	0.4
70.06590	1.2
71.04968	0.3
71.53532	0.4
72.08158	0.3
76.03164	0.2
77.03922	0.9
79.05483	0.7
81.03416	3.7
81.07056	1.3
83.00405	0.2
83.04967	0.4
84.04481	0.3
84.08154	0.4
85.02906	1.8
85.06537	0.6
86.09697	0.3
87.45570	0.2
89.03912	0.7
91.05479	21.9
92.66104	0.3
93.07043	0.8
94.06607	0.2
95.04970	1.1
95.08617	1.2
97.02898	1.0
97.06461	0.3
99.04412	0.5
103.05459	0.8
104.04994	0.9
105.03407	1.4
105.07029	0.5
107.04965	0.5
107.08629	0.5
109.02870	1.5
109.10136	0.6
113.34245	0.2
117.03355	0.3
117.06998	0.3
118.04148	0.4
119.04942	30.8
119.08583	0.4
120.05208	0.3
120.08096	0.4
121.02843	0.4
122.05986	0.4
124.07578	0.6
127.03925	1.8
128.07080	0.5
129.03334	0.7
130.06479	0.3
131.08578	0.2
132.02077	1.3
132.04439	4.5
133.02847	0.7
135.04370	0.5
135.08047	0.5
138.09117	0.4
138.11215	0.2
141.09142	0.3
145.02835	1.0
145.10129	0.3
147.04407	26.8
147.11761	0.3
148.04781	0.4
149.02327	1.2
149.09552	0.3
157.03973	3.0
160.03938	0.3
162.09117	0.3
163.03969	0.2
164.04686	0.9
167.07069	0.3
175.03903	47.3
176.04282	0.7
176.07056	0.5
178.04987	71.5
179.05327	0.7
179.07031	2.4
192.04224	0.5
206.04478	1.0
207.06523	100.0
208.06944	1.4
212.86513	0.3
225.07597	0.7
265.62338	0.2
304.10925	0.2
340.10287	3.3
351.10748	6.0
369.11832	4.4
404.16156	0.3
439.27649	0.3
452.18176	0.3
496.16818	0.3
510.18445	0.6
528.19806	2.7
545.32452	1.0
546.28821	1.1
546.33453	0.8
566.52740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01864	5.6
55.05513	32.6
55.61066	1.5
57.03439	10.6
57.07052	2.1
58.06593	2.7
59.04989	2.7
59.20058	1.3
62.57556	1.4
62.85918	1.3
65.03948	3.5
67.05505	70.9
68.87276	1.4
69.03416	3.6
69.07068	20.0
69.73630	3.1
69.74043	6.9
71.04991	4.8
79.05494	45.1
81.03421	25.7
81.07059	72.2
83.04978	7.2
83.08626	19.1
85.02934	3.5
85.06551	4.4
91.05487	37.7
93.07045	48.0
95.04982	20.5
95.08611	41.6
97.06521	7.9
97.10169	20.3
98.20793	1.3
99.08089	2.1
105.07027	33.2
107.04967	6.1
107.08593	30.3
109.06499	7.9
109.10153	29.3
111.08090	6.7
115.05493	1.6
117.07023	17.1
117.68927	1.4
119.04934	2.0
119.08582	32.2
121.06500	6.2
121.10146	18.6
123.08067	5.5
123.11686	7.9
125.09622	13.9
128.06177	2.1
129.07016	9.8
131.04961	1.9
131.08572	26.0
133.06500	2.8
133.10130	20.1
135.08086	6.7
135.11679	12.3
137.09639	3.8
139.11168	1.8
141.06924	3.5
143.08578	8.2
145.10127	17.7
147.08080	4.8
147.11687	15.6
149.09642	5.2
149.13303	7.1
151.11234	1.9
153.09090	1.8
155.08572	4.3
157.10139	12.6
159.08031	2.2
159.11685	12.4
161.09653	3.0
161.13272	9.7
163.11244	4.3
163.14774	3.6
169.10133	4.1
171.11603	8.5
173.09663	2.1
173.13281	11.5
175.11270	5.6
175.14845	3.4
177.12793	3.1
177.16479	1.7
181.10144	3.0
183.11749	4.1
185.13298	4.1
187.11195	2.1
187.14807	5.0
189.11206	13.0
193.12262	13.1
195.11716	2.0
197.13315	3.2
199.14897	2.7
201.16405	3.3
211.13344	4.7
227.12682	10.1
235.17024	2.4
243.21327	2.1
247.17036	2.6
249.14877	1.8
259.20328	1.6
261.18427	1.7
261.22217	10.7
267.15881	14.7
281.21216	2.3
285.22131	3.9
299.23691	2.4
301.21671	3.0
301.25156	19.2
303.23331	2.4
317.24741	3.5
327.23111	1.9
329.21066	2.5
335.25885	12.9
359.25717	2.9
403.25153	2.6
417.31891	3.3
421.25995	4.2
435.27484	2.0
435.32718	6.7
453.33823	15.1
471.34521	10.5
509.35968	1.8
527.29047	3.5
527.37299	51.1
545.38330	100.0
546.38885	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01867	5.9
55.05510	31.1
57.03431	9.2
57.07073	2.6
65.03926	2.6
67.05502	69.1
69.03418	4.5
69.07064	17.5
69.87580	8.2
70.67039	1.2
71.04987	4.1
71.08636	1.6
72.58782	1.3
79.05070	2.6
79.05497	37.4
81.03416	26.2
81.07053	63.8
81.07530	3.3
83.04971	5.8
83.08619	24.0
85.06535	3.1
85.14440	1.5
91.05477	39.6
93.07040	44.7
95.04965	22.6
95.08606	43.0
97.06526	5.5
97.10163	21.0
105.07034	33.1
105.07704	3.1
107.04954	8.9
107.08581	29.5
109.06519	4.8
109.10162	27.2
111.08080	6.5
115.05434	1.8
117.07011	13.3
119.08586	28.5
121.06481	9.5
121.10149	16.0
123.08051	7.1
123.11701	7.5
125.09616	16.0
129.07025	11.3
131.08565	22.5
133.06505	1.9
133.10120	23.9
135.08072	7.6
135.11705	10.1
137.09647	2.7
141.07022	2.5
143.08542	7.8
144.62254	1.4
145.06476	2.5
145.10132	21.6
147.08047	4.1
147.11667	13.7
149.09634	4.7
149.13278	6.0
151.11172	2.4
153.09138	2.0
155.08540	3.5
157.10121	11.4
159.08078	2.1
159.11694	13.7
161.09654	1.8
161.13232	7.2
163.11185	6.0
163.14804	2.4
169.10132	4.4
171.11687	6.5
173.09677	2.2
173.13229	9.5
175.11195	3.3
175.14870	5.0
177.12756	3.1
183.11758	4.2
185.13293	4.8
187.11345	2.1
187.14790	4.1
189.11252	12.0
189.12761	2.7
189.16380	2.6
191.14420	3.0
193.12262	8.1
195.11594	1.9
197.13231	3.1
199.14854	3.6
201.12883	1.5
201.16565	1.8
209.13261	1.7
211.13190	2.3
211.14954	3.0
213.16406	2.0
223.14990	2.4
227.12740	13.4
233.15468	1.7
235.17168	1.6
243.21176	3.5
261.22116	10.0
267.15863	20.7
277.21896	1.6
283.24277	2.1
285.22168	3.9
287.20160	2.5
289.18097	1.6
299.23767	3.4
301.25278	20.4
303.23190	2.3
317.24652	1.9
325.21631	1.9
335.25870	13.8
341.24567	2.2
357.27985	1.7
359.25958	1.9
403.24542	1.5
421.25867	5.4
435.27484	2.9
435.32715	7.3
453.33618	15.4
471.34641	10.8
475.30429	2.2
489.36209	1.7
509.36111	2.6
527.37347	54.2
528.37445	2.3
545.38373	100.0
546.38776	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01866	3.9
55.05513	34.9
57.03441	8.1
57.07069	3.1
59.04974	1.3
59.91423	1.5
62.49621	1.2
63.59360	1.4
65.03923	2.2
67.05505	56.5
69.03426	5.0
69.07065	17.3
69.77715	8.0
71.04971	3.5
71.08121	1.3
71.08607	1.5
78.13023	1.1
79.05491	40.6
81.03416	21.4
81.07054	57.6
83.04989	6.2
83.08610	23.6
85.06522	3.3
91.05476	31.1
93.07039	39.8
95.04970	17.2
95.08604	43.5
97.06530	3.7
97.10172	21.2
105.07029	33.9
105.07700	2.6
107.04936	7.5
107.08584	29.9
109.06538	6.4
109.10156	28.6
111.08073	6.2
115.05454	1.6
117.07014	14.7
119.08575	26.0
121.06507	6.7
121.10129	20.7
123.08083	4.6
123.11697	8.3
125.09607	15.6
129.07022	8.3
131.08574	22.6
133.06502	2.8
133.10130	22.0
135.08075	5.6
135.11681	10.6
137.09566	2.0
137.13298	2.5
139.11194	1.8
141.07004	2.6
142.07745	2.0
143.08556	7.6
145.06552	1.3
145.10129	18.2
147.08044	4.9
147.11690	13.3
149.09627	3.3
149.13263	7.0
155.08553	5.2
157.10114	11.0
159.11682	14.4
161.09669	2.4
161.13245	7.0
163.11160	3.1
163.14804	2.9
165.12779	2.0
167.08533	1.9
167.44991	1.2
169.10138	5.8
171.08058	1.9
171.10286	1.2
171.11659	6.6
173.09622	2.7
173.12004	1.4
173.13239	8.6
175.11269	4.6
175.14830	3.1
181.10168	2.1
182.12436	1.2
183.11690	3.9
185.13261	5.9
187.13330	1.7
187.14799	6.8
189.11270	9.6
189.12721	1.8
189.16376	2.0
193.12239	9.9
195.11696	1.6
197.13272	3.0
199.14915	3.1
201.16458	2.3
205.12285	1.5
208.51579	1.4
209.13379	2.0
213.16505	3.0
223.14932	1.6
225.16574	1.9
227.12769	18.8
233.15594	2.2
243.20964	3.1
247.16876	1.8
249.14851	3.5
249.18724	1.4
253.18132	1.6
261.18436	1.4
261.19586	1.7
261.22122	12.6
261.53326	1.4
267.15878	22.1
281.21393	2.1
285.22107	4.5
287.20169	1.9
293.21170	1.4
295.22653	1.6
299.23755	2.0
301.25229	20.0
303.23056	2.2
317.24710	3.2
327.23361	1.6
335.25787	15.0
359.25818	4.1
403.24731	1.6
407.24130	1.8
417.31125	1.7
421.25919	3.2
435.27325	2.6
435.32675	9.2
453.33643	16.7
463.30478	1.5
471.34720	15.3
481.92081	1.4
489.35583	1.8
491.34888	1.6
509.36273	4.0
527.37329	55.9
528.37360	3.3
545.38361	100.0
546.38672	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	545.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.7
55.01856	6.9
55.05503	11.3
59.04990	5.7
67.05499	10.2
68.99787	8.1
69.03438	27.0
69.07059	6.1
69.20230	41.1
70.06596	42.5
71.04972	7.6
71.06915	4.3
72.08146	12.4
75.86136	3.6
79.05498	5.9
81.03416	35.6
81.07050	9.7
83.04996	5.4
84.01199	4.2
84.08144	6.5
85.02912	31.3
85.06521	10.1
86.09684	18.6
87.00806	9.1
91.05482	20.5
93.07034	5.7
95.04958	18.0
97.02853	10.8
99.04440	10.8
105.03389	6.2
105.07028	8.2
107.04941	8.9
107.08607	5.8
109.02882	20.9
111.04446	8.3
112.07619	3.8
117.06984	5.8
117.49833	5.5
119.04931	13.3
119.08565	8.3
120.08105	4.9
121.02838	6.0
121.06495	5.4
123.04394	12.8
123.07985	5.4
125.02390	6.6
127.03906	18.5
129.06944	4.4
131.08580	5.5
132.08054	4.0
133.06433	4.8
135.04402	7.0
135.08096	4.4
139.03854	4.9
145.06470	5.5
145.10110	4.8
147.04398	16.3
155.08620	4.6
155.61928	4.1
157.10062	4.7
160.07579	25.8
167.08582	8.1
169.08684	3.9
171.08012	6.9
173.09622	11.1
175.03877	13.2
177.05444	5.1
177.10297	10.0
181.06456	6.7
185.09547	10.2
187.07562	7.3
187.11067	6.3
189.05553	6.3
189.09030	9.3
195.08191	5.7
199.07552	6.2
199.11325	4.0
201.05469	6.0
201.09097	17.6
207.06517	32.5
209.09698	5.1
211.07477	6.1
212.08476	5.2
213.03934	23.5
213.09103	39.5
215.10730	23.0
225.05286	5.4
225.09120	8.8
227.10677	22.4
227.14276	9.7
231.10214	5.6
237.09120	7.6
237.12721	6.7
239.10716	12.3
240.11423	11.9
241.08514	6.4
241.12241	6.2
243.10190	28.5
251.10652	15.8
253.08640	4.9
253.12256	13.2
255.10165	32.0
255.13821	100.0
261.11197	23.8
263.06995	8.8
263.10526	9.3
264.07883	5.7
265.08466	7.4
265.12277	7.6
267.10181	13.9
267.13797	8.3
269.08170	4.7
269.11661	9.9
269.15204	11.9
273.14835	8.4
275.09286	9.3
277.12097	5.1
279.07007	3.7
279.10129	26.5
279.13330	6.5
281.11630	16.6
283.09607	5.5
283.13260	5.9
285.11487	7.8
285.14804	6.3
289.91595	4.2
291.09924	10.3
293.11642	14.6
295.09619	15.1
295.12973	5.7
297.11224	19.6
297.14874	41.3
299.12665	7.2
305.11417	5.6
307.09750	5.9
307.13217	9.0
309.07675	10.0
309.11087	13.9
309.14700	11.0
310.07846	7.9
311.08249	9.4
311.12579	10.8
311.16052	5.3
313.14203	7.3
315.15878	45.7
321.11279	7.7
322.08218	7.3
323.12570	4.8
325.10501	8.9
327.15979	23.8
335.16129	5.7
337.10724	52.9
337.14285	7.6
339.08566	5.4
339.12259	22.0
339.15787	5.6
345.16925	14.6
351.12140	5.2
353.13794	7.2
355.11813	14.5
357.13385	11.2
359.15378	6.1
363.15756	18.9
381.16904	13.2
383.11102	5.9
395.18515	6.6
405.17047	16.2
423.13531	5.0
423.18185	57.9
441.19077	70.0
443.12167	8.9
459.20096	4.5
485.17871	6.1
509.17783	5.3
527.19293	24.9
545.20050	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85632	1.4
53.53534	1.4
56.96561	14.9
59.42523	1.4
69.03413	3.3
70.06570	3.7
71.50900	2.7
73.02863	1.6
81.03403	1.6
81.07079	1.6
82.99863	2.4
84.96029	2.4
85.02895	6.4
91.05466	5.1
95.04990	2.7
97.02890	2.6
98.97581	25.9
101.00883	11.4
105.00355	2.2
105.03394	12.4
109.10113	1.8
110.97569	1.8
116.98618	16.9
119.01931	51.8
119.04965	8.1
119.08549	3.0
128.98599	6.4
131.00203	3.2
131.01909	18.5
133.03450	3.4
134.99664	7.9
137.02921	12.0
142.03493	2.1
143.00139	4.8
143.01901	28.3
145.05016	1.8
146.99612	4.0
147.04404	19.3
148.04716	2.0
149.01160	3.3
149.02963	6.0
155.01889	16.7
157.01836	1.5
157.03490	2.3
158.99702	8.1
161.01303	7.0
161.02962	100.0
162.03172	2.3
162.98944	1.6
165.05528	1.7
173.02972	53.1
174.99220	1.6
175.04509	2.2
177.00655	12.4
177.05472	7.3
177.12759	1.8
179.03973	3.9
184.04562	6.3
185.01357	2.9
185.02991	6.2
187.00867	3.4
189.00693	6.4
189.06049	2.0
191.02364	3.0
191.03960	19.9
196.04494	3.2
197.01222	6.1
197.02922	3.8
201.00688	2.6
203.02319	2.9
203.03996	19.1
203.10625	2.8
205.00130	2.4
205.01921	18.9
208.99658	1.6
209.03218	2.3
209.47226	1.9
211.02815	1.9
213.09752	2.6
215.02238	4.4
215.04120	2.6
217.01974	1.9
219.01761	7.7
221.03267	4.1
221.05057	10.6
223.02893	3.1
223.04733	2.1
227.11362	1.9
233.05112	1.9
235.03036	9.9
235.11829	7.5
237.02740	8.0
239.06207	8.4
241.05798	4.1
245.05125	5.0
247.02977	7.4
253.04175	2.5
253.13014	11.9
259.11816	2.8
261.02774	2.2
261.09689	5.9
263.06207	26.9
265.03912	3.6
267.03778	2.1
271.11951	1.9
277.07703	1.8
277.12878	24.5
279.03827	2.9
279.10822	16.6
281.07214	3.4
289.04041	2.9
289.12878	3.2
295.08740	2.4
295.13950	13.2
297.11887	12.4
303.10751	4.4
307.05118	28.3
313.09830	2.8
321.11896	25.4
339.08957	3.7
339.12909	63.0
339.16995	3.7
340.13211	1.8
340.53381	2.2
351.13077	8.2
353.07492	5.0
357.13812	6.6
362.14374	5.3
369.13968	7.5
371.08524	3.8
381.13849	3.5
441.16086	9.1
459.16769	7.2
527.10223	2.0
545.11377	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	544.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	8.4
57.07065	7.2
57.77107	4.3
59.95051	3.3
67.05490	15.9
69.07040	6.5
70.48138	9.1
70.48505	6.4
79.05484	12.1
81.07059	58.0
91.05481	12.3
93.07045	32.5
95.04964	4.3
95.08604	10.0
99.40475	3.7
100.51388	4.1
105.07043	19.7
107.08581	10.8
108.01861	3.5
109.10125	8.3
116.71950	3.8
117.07000	6.3
119.08572	15.6
121.10165	7.0
123.11687	4.7
131.08603	4.1
133.10114	3.9
134.66701	3.7
135.11665	11.1
137.13252	9.5
141.06914	3.5
155.00496	4.0
155.08492	4.3
157.10098	4.3
161.06104	4.0
161.13243	23.8
175.03865	10.3
189.09163	8.5
189.12671	6.4
199.03926	4.7
201.09163	5.5
211.07483	6.4
215.06921	5.0
225.09149	11.1
227.10608	6.0
229.08533	7.5
241.08641	12.8
243.10117	4.1
253.08578	15.5
253.12216	4.6
255.13721	12.2
261.11203	10.6
267.13824	7.0
269.15372	12.4
273.14838	27.1
280.10760	4.7
287.16431	11.8
295.13284	32.6
297.14868	8.2
313.14325	69.9
313.17673	3.6
327.15900	72.6
331.15652	5.8
345.16846	26.6
353.98553	4.2
421.27292	34.9
431.25644	4.9
449.26913	28.0
463.28436	100.0
481.29056	9.0
544.29285	4.5
544.36395	25.8
544.49188	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	544.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.05516	4.8
57.07058	0.5
58.06602	30.7
60.04528	1.5
66.51125	0.3
67.05505	2.6
69.07066	2.0
70.91201	0.4
70.91553	0.7
71.04977	0.6
72.08147	1.1
79.05499	2.9
81.07053	3.9
83.04984	24.4
83.08610	0.8
84.08138	0.4
85.02921	0.4
85.06548	0.7
85.78884	0.4
91.05481	3.0
93.07053	5.1
95.04963	1.1
95.08609	5.1
97.06526	1.3
97.10158	0.5
99.04465	2.3
100.07623	8.0
101.05987	0.6
105.07029	5.8
107.08595	7.4
109.06528	1.5
109.10146	2.0
111.08092	1.0
114.09145	0.6
115.05450	0.4
117.07044	1.5
119.08590	7.8
121.06510	0.4
121.10153	5.6
123.08067	3.1
123.11720	0.6
125.06007	0.4
128.06200	0.5
129.07004	1.1
131.08565	4.1
133.10143	6.1
135.08112	1.6
135.11690	1.5
137.09662	0.5
138.09084	0.4
141.06981	0.5
141.09079	0.5
142.07788	0.7
143.08539	2.6
144.09361	0.4
145.10130	4.7
147.08041	0.5
147.11674	3.1
149.09612	2.1
149.13263	0.9
151.07576	0.4
155.08586	1.0
156.09340	0.6
157.10123	4.0
159.08060	0.7
159.11684	4.4
161.09633	1.8
161.13252	1.7
163.11172	2.1
167.08623	0.6
167.10684	0.3
169.10133	1.8
171.11688	2.7
173.09688	0.9
173.13251	3.4
175.11220	1.1
175.14799	0.4
177.09087	0.6
177.12810	0.4
179.08582	0.3
179.10701	0.8
181.10138	0.7
183.11684	3.0
185.09628	0.4
185.13252	3.3
187.11200	0.6
187.14850	1.5
189.12746	0.6
191.10672	1.0
191.14342	0.6
193.10181	0.4
193.12332	0.6
195.11649	1.0
195.13712	0.3
197.09621	0.4
197.13303	1.8
199.11234	0.6
199.14845	1.6
201.12761	1.0
201.16393	0.3
203.10770	0.4
203.14352	0.8
205.12372	0.3
205.15909	0.5
207.11702	0.7
207.13596	0.4
208.12439	0.4
209.13303	1.4
209.15298	0.6
211.11288	0.3
211.14839	3.0
213.12744	1.0
213.16377	1.0
215.14362	1.1
217.12305	0.5
217.15938	0.8
219.13864	0.6
221.13382	0.7
221.15378	0.7
223.14842	0.8
225.12900	0.4
225.16422	1.2
227.14381	0.7
227.17973	0.8
229.12308	0.4
229.15846	0.4
233.13319	0.3
233.15385	1.6
235.14792	0.6
235.16866	0.4
237.16460	0.4
239.14267	0.6
239.17892	0.7
241.15964	0.6
243.13835	0.4
245.15317	0.7
247.17039	0.8
249.16371	0.7
251.14363	0.4
251.18033	0.6
253.19661	0.4
255.13690	0.4
257.15509	0.3
259.17038	0.4
267.17557	0.5
271.16922	0.7
279.17462	0.4
281.19196	0.3
285.18405	0.6
291.17349	0.4
293.19003	0.4
299.19965	0.4
309.18591	0.4
309.22174	0.5
327.23209	3.4
333.22345	0.4
349.25204	0.3
351.23077	0.9
365.24872	0.5
395.25818	0.7
403.29727	0.3
408.94894	0.3
413.26886	3.5
431.29581	0.7
449.30563	3.3
467.31628	5.1
485.32855	0.6
508.35300	0.4
526.35541	0.9
544.36365	100.0
545.36780	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	544.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38025	0.1
55.05507	0.2
63.14978	0.2
67.05487	0.2
68.99796	0.3
69.03418	0.2
69.51896	0.4
69.52293	1.0
70.06576	0.3
71.05003	0.2
72.08184	0.2
77.03937	0.3
79.05505	0.2
81.03409	0.4
85.02880	0.2
91.05476	0.9
93.05766	0.2
93.07023	0.2
95.04954	0.2
97.06524	0.2
105.03391	0.5
105.07052	0.2
106.06564	0.5
107.04889	0.2
108.08116	0.3
109.02904	0.2
119.04991	0.7
134.06007	6.4
139.07860	0.2
147.04398	0.8
160.07597	0.2
161.04674	0.3
162.05537	0.2
162.09126	0.2
175.03914	1.5
176.07066	100.0
177.07445	1.2
189.09019	0.2
201.09085	0.3
207.06531	4.2
213.09081	0.5
237.12613	0.2
255.13805	1.4
297.15024	0.3
304.14114	0.2
306.12546	0.2
315.15973	1.7
318.12436	0.2
320.13965	0.2
322.11777	0.3
322.15411	0.3
332.10303	0.2
332.13956	0.7
334.11789	0.2
336.13336	0.4
338.14761	0.2
346.11713	0.2
346.15591	0.2
347.12772	0.2
348.13382	0.4
350.15033	0.8
351.10721	0.3
358.15427	0.5
360.13370	1.3
362.15063	0.5
364.12567	0.2
366.14560	0.2
369.11792	0.2
374.15222	1.1
376.16446	0.2
378.14392	0.9
384.13483	0.5
386.15079	0.3
388.12799	1.3
390.14313	0.3
392.16135	0.3
402.14563	1.1
404.16223	0.2
406.13922	0.8
412.12915	0.5
414.14435	0.7
416.12381	0.4
420.15405	0.3
424.14838	0.3
430.13968	1.8
432.15607	0.4
434.13455	0.2
438.16663	0.2
439.17215	0.2
448.15005	1.6
450.16425	0.3
458.13434	0.3
466.15839	0.5
467.17221	0.3
476.14670	0.4
484.17191	1.3
489.17471	0.2
494.15314	0.2
502.18561	0.2
508.17136	2.2
526.18201	14.4
527.18146	0.5
544.19202	3.4
544.27435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.05496	1.4
56.05035	1.0
57.03424	2.7
61.02927	2.9
63.55674	0.9
69.03428	10.6
69.73874	3.6
69.74306	2.7
70.06593	14.1
71.04993	38.6
72.08144	3.5
78.07727	0.9
81.03419	7.9
84.04469	1.1
84.08138	3.7
85.02905	20.9
86.09713	4.6
91.05473	1.6
97.02891	12.1
99.04453	100.0
99.08080	2.3
104.18686	0.9
105.03400	1.1
106.06537	1.0
109.02861	5.5
110.07141	0.9
116.07013	1.1
117.05470	5.9
119.04953	0.9
121.02856	1.0
127.03933	9.3
128.07033	2.0
129.10272	2.8
136.07472	1.9
137.06004	1.3
145.05002	5.6
147.04373	2.3
163.03894	0.9
166.69855	1.0
167.07060	1.0
220.09700	1.4
225.07588	2.6
231.09761	1.1
243.08644	5.8
261.09689	44.5
318.14932	1.3
328.00043	1.0
423.14780	1.6
518.57916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78300	1.0
53.03946	4.5
55.01872	4.5
55.05515	17.2
57.03439	3.0
57.07072	1.6
65.03944	2.7
67.05507	39.3
69.03434	1.7
69.07069	12.3
70.44996	3.8
71.04960	1.7
75.30054	1.2
79.05494	45.3
81.03413	3.7
81.07057	40.6
81.07536	2.4
83.04980	4.6
83.08625	9.5
88.20912	1.1
91.05482	23.9
93.07049	65.3
95.04976	10.7
95.08611	46.4
97.02911	3.3
97.06532	3.2
97.10175	2.4
99.04472	3.3
105.07022	19.4
105.63931	1.1
107.04949	8.2
107.08599	37.9
109.06524	3.9
109.10156	8.7
111.04448	2.6
111.08096	1.5
115.05501	1.1
117.07017	13.3
119.08585	16.6
121.06483	6.6
121.10152	19.8
123.08110	1.1
123.11726	1.6
125.05993	2.6
128.06221	1.1
129.07011	2.7
130.07849	2.2
131.08589	6.7
133.10144	8.9
135.08067	3.0
135.11696	43.5
138.84760	1.1
143.08583	2.0
145.06447	1.3
145.10129	29.6
147.08093	1.4
147.11658	2.0
149.09642	1.8
149.13284	3.2
151.11169	1.3
153.12706	1.3
155.08459	1.5
157.10085	1.1
159.11708	3.5
161.13263	2.5
161.64220	1.1
163.11194	48.1
163.14799	1.1
173.09621	1.3
173.13271	3.0
179.14346	1.6
181.12241	13.2
187.14864	2.7
209.11708	1.3
215.56429	1.2
227.12787	100.0
228.13098	2.6
261.22189	6.5
275.20142	2.5
317.24548	2.1
444.45020	1.2
525.35779	1.4
534.48187	1.3
543.36816	63.9
544.36792	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	543.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90696	5.8
55.05515	33.4
57.07082	12.7
67.05502	73.2
69.03425	36.7
69.07062	28.8
70.06569	9.8
70.08371	21.0
71.04996	13.1
79.05487	42.0
81.03409	15.5
81.07065	70.2
83.04976	25.0
83.08615	17.6
91.05490	55.5
93.07040	68.1
95.04964	33.2
95.08607	65.4
97.06525	14.9
97.10155	17.1
99.04460	11.9
103.05490	6.2
105.07034	93.6
107.04956	18.2
107.08597	63.1
109.06554	32.6
109.10153	37.4
111.08071	21.1
117.07054	31.5
119.08584	100.0
121.06478	9.6
121.10120	44.1
123.08016	31.5
123.11775	8.1
125.09647	22.8
128.06218	13.8
129.06976	18.7
131.08580	53.6
133.06531	11.8
133.10124	81.4
135.08060	15.4
135.11685	24.3
137.09657	8.6
139.07555	12.1
141.06935	12.1
142.07788	7.6
143.08562	53.4
144.09332	6.5
145.10117	87.8
147.07974	8.4
147.11711	39.4
149.09586	16.5
149.13290	16.1
151.11191	13.6
153.09203	7.6
155.07140	8.9
155.08553	24.4
156.09367	10.7
157.10162	49.5
158.10846	7.6
159.08038	12.9
159.11717	41.3
161.09610	40.0
161.13261	24.3
163.11154	14.0
165.09029	7.1
167.08597	11.3
169.10179	29.8
171.08084	8.5
171.11676	34.7
173.09589	9.1
173.11971	6.4
173.13193	30.8
175.07603	6.7
175.11200	11.2
175.14781	6.5
181.08611	8.6
181.10170	14.0
183.11646	31.4
185.09557	7.7
185.13287	28.1
187.11217	11.0
187.14806	20.8
189.12790	12.1
191.10730	12.1
191.14244	7.2
193.10199	14.6
193.12241	11.2
195.11728	19.3
195.33092	6.5
197.13322	35.8
199.11258	8.5
199.14812	19.9
201.12709	12.9
201.16438	10.8
203.14273	7.4
207.11745	14.6
209.13268	18.3
211.14845	18.0
215.14368	14.6
217.19359	9.5
221.13248	13.1
223.14859	22.9
225.16313	10.0
227.17995	8.6
229.16010	8.6
229.19518	6.5
233.15343	37.2
235.14967	10.2
237.16388	12.8
239.14273	7.3
239.17929	17.4
241.15977	9.7
249.16571	8.2
253.19405	8.9
263.18167	7.7
265.16199	8.3
275.20215	11.5
309.22171	7.9
323.20178	11.1
323.23587	29.3
325.21741	12.0
343.22696	62.7
351.23050	20.2
351.26959	8.5
353.24844	10.2
369.24365	13.7
379.26489	7.9
395.29642	31.2
397.27151	9.4
403.24402	8.8
405.28183	9.4
411.25308	26.6
423.28787	20.6
465.29922	36.3
483.31235	38.9
525.34552	7.4
541.50470	8.1
543.35724	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01876	4.2
55.05500	11.3
57.07061	4.0
59.04995	4.1
67.05510	25.2
69.03421	8.2
69.07058	12.5
70.22810	6.1
70.23213	10.5
71.01333	3.6
71.04987	7.8
79.05492	35.5
81.03419	4.1
81.07053	100.0
83.04954	4.7
83.08624	6.3
84.36566	3.3
85.06544	6.3
91.05479	34.1
93.07045	27.7
95.01330	26.2
95.04955	22.3
95.08601	20.2
97.06522	7.0
105.07029	58.7
107.08581	31.3
109.06520	42.8
109.10143	10.2
111.08094	5.9
112.67944	3.5
115.05426	6.3
117.07021	11.4
119.08588	46.5
121.06518	11.1
121.10123	14.8
123.08043	8.5
123.11704	4.1
128.06200	5.0
129.06975	13.3
130.07806	4.7
131.08563	34.1
133.06512	16.6
133.10141	29.8
134.37421	3.3
135.08055	19.5
135.11691	11.3
137.09642	6.4
141.07001	4.6
142.07802	11.0
143.08556	28.2
144.09366	5.0
145.06435	5.8
145.10127	51.4
147.08078	7.0
147.11700	22.6
149.09668	16.8
151.11229	4.4
151.48553	3.4
154.97285	3.3
155.08542	17.5
156.09312	5.2
157.10144	38.9
159.08070	8.2
159.11700	33.3
161.05991	37.9
161.09645	16.5
161.13297	13.5
163.07506	3.7
163.11166	8.3
167.08565	8.0
168.09308	8.0
169.10173	16.5
170.10820	5.0
171.11694	20.4
173.09627	10.9
173.13284	21.8
175.07584	6.6
175.11180	8.5
175.14867	5.2
179.08485	4.1
179.10599	6.7
180.09254	3.8
181.10109	11.4
182.10764	3.7
183.11697	28.0
185.09656	4.5
185.13283	24.5
187.11154	11.3
187.14812	11.4
189.12733	10.7
193.10159	9.0
193.12206	4.3
195.11707	16.0
197.09650	6.5
197.13127	16.0
199.11121	7.2
199.14790	13.3
201.12756	18.0
201.16428	8.6
205.12100	5.1
207.11662	6.9
209.13239	10.4
211.11130	7.5
211.14876	6.1
213.12692	5.5
215.10664	4.2
215.14285	7.1
215.17998	5.5
217.10202	4.5
217.12137	4.6
217.15862	5.2
219.11676	4.6
221.13275	9.8
223.11032	4.8
223.14804	10.1
225.12788	9.1
225.16328	10.2
227.10532	5.5
227.14291	6.4
227.17912	3.7
229.12259	4.1
231.11745	4.8
231.13803	7.6
233.15430	4.6
235.14946	7.9
237.09163	4.4
237.12775	4.2
237.16328	6.7
239.14192	7.0
241.15697	5.0
243.13857	8.9
243.17451	13.3
245.15390	9.8
247.14735	5.9
249.16429	5.6
251.14452	4.7
253.12007	3.5
257.15363	3.8
261.18588	5.8
263.18015	7.0
265.15924	7.7
267.13895	5.0
277.15494	4.7
279.17587	4.6
285.18417	14.5
291.17288	4.6
291.20828	4.0
303.19598	10.1
307.20520	3.5
309.18616	6.5
309.22147	16.3
311.20102	3.7
319.13232	4.0
323.23364	5.4
333.21954	7.8
335.16379	6.8
351.19611	4.3
351.23328	22.8
353.17374	11.4
361.14078	5.2
365.24905	4.2
367.22717	6.1
369.24268	12.9
375.23343	4.9
393.20084	7.3
393.24332	15.7
395.18567	10.8
397.16696	5.0
411.25412	39.5
419.18097	4.1
453.26407	5.8
455.20755	9.2
471.27405	76.3
472.27457	3.9
543.25525	18.5
543.35657	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	543.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	12.1
55.05511	14.2
63.84368	6.3
67.05488	29.3
69.07070	18.3
70.08277	30.6
75.87121	6.3
79.05483	27.7
81.03407	14.5
81.07047	28.9
83.04951	7.3
91.05480	26.9
93.07041	21.0
95.01337	100.0
95.04967	59.3
95.08618	17.9
97.06528	7.9
103.05466	9.4
105.07032	51.5
107.04950	7.4
107.08560	12.4
109.10215	6.4
117.07011	15.4
119.08582	29.7
121.06507	20.7
121.10172	12.5
128.06262	9.8
129.07016	12.5
131.08583	14.8
133.06494	26.0
133.10143	11.6
134.05960	6.5
141.06966	8.3
143.08588	20.0
145.06494	16.0
145.10120	24.7
147.08075	14.6
147.11691	6.6
152.54341	5.8
155.08572	14.7
157.10069	16.0
159.08032	15.9
159.11728	10.2
161.05986	75.8
161.09619	9.0
165.07027	7.3
166.07750	8.0
171.08060	9.2
171.11800	7.9
173.02408	7.0
173.09633	9.1
175.07530	12.5
179.08546	11.7
181.10098	13.7
183.11665	12.1
185.09627	8.3
185.13185	9.4
187.07515	10.5
195.11716	10.4
197.09514	9.9
199.11220	10.5
211.11171	10.0
213.09190	8.3
213.12666	11.1
237.12782	7.2
249.12756	8.0
276.98032	8.1
317.96503	7.2
393.20667	19.7
419.18558	9.9
437.13889	7.0
437.19461	40.9
455.20630	13.7
543.26910	8.0
543.36469	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	14.7
56.43531	5.9
59.04988	8.7
65.03941	7.1
67.05502	38.3
69.03426	7.3
69.07066	13.1
70.48343	12.7
70.48702	13.0
75.02614	5.6
77.48259	6.1
79.05493	29.7
81.03403	22.1
81.07043	28.0
83.08601	6.4
83.16088	6.1
85.02910	6.7
91.05474	33.8
93.07039	35.5
95.01328	67.0
95.04961	100.0
95.08585	14.3
97.06555	6.4
101.42150	5.7
105.07033	45.6
107.04953	11.0
107.08599	29.5
109.06485	15.4
109.10191	7.9
115.05460	6.0
117.06971	12.5
118.58740	5.4
119.08549	34.7
121.06506	12.3
121.10130	18.3
121.33541	6.4
126.85605	5.8
128.06200	10.2
129.06973	17.0
130.07851	6.0
131.08531	36.8
133.06505	14.5
133.10097	16.1
135.08029	12.4
135.11674	8.0
142.07773	8.9
143.08563	27.5
145.06453	7.2
145.10088	30.0
147.08020	10.4
147.11665	13.2
153.06934	7.6
154.07817	7.1
155.08563	19.8
156.09386	8.6
157.10110	27.2
159.08034	9.1
159.11670	22.8
161.05988	40.7
165.07008	8.9
167.08501	9.8
169.10107	22.0
171.08055	11.4
171.11626	17.2
173.09593	9.0
173.13200	14.5
175.07520	16.7
181.10136	16.7
183.11705	22.0
185.13257	10.2
187.11143	7.8
191.03326	6.9
193.10149	6.3
195.08102	8.2
195.11746	15.7
197.13258	20.8
201.09009	10.3
201.12755	7.3
205.04938	10.5
207.11656	7.9
209.09575	10.4
209.13266	6.7
211.11136	7.7
211.14803	7.1
213.09088	10.4
215.14366	7.6
219.11787	8.3
223.11086	7.0
223.14830	6.7
225.12744	16.2
235.11060	10.2
235.14720	9.3
237.12766	10.3
243.17429	10.4
249.12708	6.8
253.12308	7.4
265.12302	6.4
275.19901	10.4
293.19205	7.1
321.18527	12.7
333.15103	7.3
335.16345	7.7
339.19415	6.9
367.18906	21.5
377.17712	6.9
446.60043	6.2
455.20627	45.3
525.35516	11.9
526.11639	6.9
543.25854	14.3
543.36444	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01867	4.1
55.05503	4.2
57.07042	2.1
59.04990	8.0
65.03926	2.3
67.05515	10.6
69.03419	5.6
69.07079	2.9
71.04974	3.5
77.03967	2.0
79.05495	17.6
81.03431	13.2
81.07050	9.8
89.11668	2.0
91.05492	15.3
91.33472	2.3
93.07045	11.0
95.01331	76.7
95.04968	29.7
95.08597	4.2
96.06061	2.0
103.05467	6.9
105.07036	55.9
107.04935	3.4
107.08571	7.9
109.06518	8.9
109.10164	4.0
115.05434	4.4
117.06999	11.7
119.04932	3.1
119.08604	16.5
121.02840	2.7
121.06506	7.6
121.10137	4.9
123.04425	2.8
123.08030	2.3
123.11677	2.2
128.06236	6.5
129.07019	9.9
131.04942	4.2
131.08578	15.7
132.36644	2.2
133.06491	35.3
133.10141	10.2
135.04399	3.1
135.08000	5.0
135.11736	2.2
141.06976	5.3
142.07773	6.8
143.08554	25.5
145.02824	2.8
145.06497	9.2
145.10126	19.6
147.08055	6.9
147.11656	10.8
149.05994	3.3
151.03961	2.4
153.06985	3.7
154.07777	4.2
155.08574	11.3
156.09279	4.2
157.06500	2.8
157.10126	17.7
159.04294	2.5
159.08038	8.1
159.11693	8.5
161.05980	100.0
161.09628	5.1
161.13252	5.5
163.07510	5.3
165.07016	5.3
166.07735	3.1
167.08540	7.6
168.09271	4.2
169.06450	3.6
169.10110	19.3
171.08057	14.2
171.11694	14.1
173.05936	3.0
173.09648	7.1
175.07561	12.6
177.05402	3.1
179.08543	7.1
180.09334	2.3
181.10164	13.6
183.08032	5.3
183.11670	13.4
185.09644	6.5
185.13243	6.7
187.07562	5.5
187.11162	5.6
189.05469	3.7
189.09100	2.8
189.12715	5.8
191.08534	3.2
192.09351	3.1
193.10123	8.0
194.10785	3.2
195.08022	4.6
195.11676	12.3
197.09631	7.2
197.13255	7.7
199.07526	2.5
199.11176	5.5
201.05441	3.4
201.09084	4.2
201.12711	4.4
203.06985	3.0
203.10631	2.4
204.09311	2.5
205.04958	10.0
205.10170	4.5
205.12158	2.6
206.10962	3.1
207.08119	3.5
207.11671	5.4
209.09599	8.9
209.13289	6.8
210.13803	2.6
211.07516	4.8
211.11150	9.2
211.14809	3.5
213.09172	2.9
213.12895	3.7
213.16502	2.4
215.10606	2.9
216.09329	3.0
217.10173	4.9
219.06482	3.4
219.11670	8.9
221.09653	4.1
221.13319	6.4
223.11078	3.2
223.14822	2.7
225.09059	2.5
225.12825	3.8
227.10603	6.5
227.14262	2.5
229.10194	2.8
229.12219	4.7
230.10809	2.6
231.11781	2.9
232.08722	2.8
233.09555	3.8
235.11121	5.6
235.14784	3.7
237.09149	4.3
237.12679	4.9
239.10670	3.8
239.14317	3.7
241.12280	2.5
245.13425	2.5
246.10330	2.8
247.11086	3.3
247.14839	2.6
249.12740	6.3
250.09834	2.8
251.10677	2.8
253.12276	4.6
255.13844	3.5
257.15341	4.2
258.10559	2.5
259.15100	2.3
261.12738	5.5
263.10806	2.8
263.14261	5.2
265.08411	2.1
265.12247	6.3
265.15808	2.5
267.13766	4.3
273.12723	4.6
275.10968	2.6
275.14178	2.5
277.12604	2.4
277.15674	2.8
279.17404	2.8
287.14001	3.0
290.12973	2.2
291.13928	5.6
293.11719	7.0
293.15329	5.3
305.15424	3.2
307.16879	6.4
308.10443	2.1
309.18573	5.8
315.13870	2.5
317.15271	2.9
319.16855	5.7
323.16422	3.0
331.13220	3.9
331.17004	4.5
333.14758	13.5
333.18518	7.6
335.16400	18.1
337.14230	3.2
345.18405	2.8
347.19632	2.4
349.17862	4.7
351.16150	11.8
351.19736	4.4
353.17548	26.2
357.18536	2.8
359.17175	2.8
361.14252	14.9
365.21225	2.9
375.19467	11.1
375.58939	2.5
377.17661	10.5
379.15268	12.6
391.18814	3.0
393.20526	21.9
395.18585	26.4
397.16415	6.9
401.17337	3.7
409.20117	5.2
411.21619	7.5
419.18555	6.0
427.21149	3.0
437.19666	10.6
455.20624	23.8
543.25885	31.7
544.25604	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	543.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80170	0.7
71.51368	1.2
77.38720	0.7
98.97589	1.8
110.97575	0.9
128.98637	0.7
131.80147	0.8
139.00854	1.6
144.10219	2.5
145.00778	2.2
146.99652	0.8
151.00659	1.2
151.34641	0.7
154.01311	1.2
160.01347	1.9
170.99706	1.0
181.01802	1.5
182.05785	1.0
187.01877	1.0
189.00784	1.3
196.02481	1.0
202.09322	1.4
211.02814	0.9
226.09294	2.2
231.01700	0.8
232.03441	2.0
238.03542	0.9
242.07170	1.1
244.10344	0.9
261.02838	1.7
279.03766	1.1
291.04111	1.1
321.05249	0.9
363.06693	4.1
381.07861	11.8
435.14462	1.1
543.13226	100.0
544.13550	3.5
562.42255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
66.08236	0.8
70.06584	0.9
70.27145	0.7
70.76995	1.5
70.77370	1.9
91.05476	1.3
115.05471	1.0
118.06537	18.3
132.08095	5.8
142.06528	2.6
143.07286	3.4
144.08073	12.4
146.06010	63.4
159.09152	6.6
170.06021	4.6
188.07063	100.0
189.07402	2.3
205.09721	36.2
210.36220	0.9
239.50447	0.8
300.02997	1.0
425.58316	1.0
456.02707	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01872	0.8
55.05503	0.7
56.05046	0.8
57.70625	0.5
67.05507	7.3
68.05023	0.8
69.03438	1.9
69.07061	3.1
70.06594	100.0
70.28092	1.0
70.28482	1.5
71.04984	0.6
71.06927	0.7
72.08155	1.6
74.06076	1.6
75.37368	0.5
79.05503	1.4
81.03423	1.9
82.06597	0.7
83.05003	0.8
84.08136	4.5
85.02872	2.8
86.09719	1.5
91.05497	3.8
93.07050	1.1
94.06568	1.8
95.04971	11.0
95.06021	0.5
95.08622	0.6
97.02908	2.0
98.06033	0.5
98.09671	0.6
99.04460	1.0
100.79051	0.5
103.05465	0.8
104.86415	0.5
105.07061	4.6
107.04906	0.8
107.08600	1.1
109.02894	1.8
109.06534	1.3
112.07606	19.3
113.06012	1.1
117.07029	0.9
119.04959	3.2
119.08589	5.8
120.08146	0.7
121.02891	0.9
121.10213	0.9
123.08084	0.8
127.03941	2.2
128.07092	1.3
128.10738	1.5
129.10260	1.3
130.08641	3.1
131.08536	0.9
133.06512	0.8
136.07617	1.8
145.05049	0.5
146.06044	0.7
147.04416	3.4
147.11717	4.5
154.05054	0.9
154.08643	1.3
174.11261	3.0
175.03851	3.7
178.08693	0.7
190.08658	0.6
199.07813	0.6
205.07019	0.5
206.08263	1.0
207.06514	6.8
207.13850	1.6
213.12346	0.9
238.10881	1.6
256.11877	3.4
274.12827	7.2
292.13889	18.0
300.10818	1.5
318.11902	3.8
323.08051	0.8
336.12885	36.8
369.12234	0.7
456.18930	0.7
498.27441	0.8
542.22162	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.4
53.03938	0.6
55.01863	0.4
55.05496	0.6
57.03416	0.4
59.04990	1.4
60.04523	0.4
63.79911	0.3
65.03929	0.7
67.05499	0.6
67.46922	0.3
68.05022	0.9
68.51900	0.3
69.03433	1.7
69.07063	0.8
69.23454	3.1
70.06593	38.5
71.04974	0.6
71.06929	0.4
72.08156	1.8
72.24072	0.3
73.02906	0.5
74.06081	0.4
75.72239	0.3
77.03912	0.5
79.05489	0.6
81.03419	4.3
81.07048	0.9
82.06573	0.6
83.04989	0.6
84.08152	1.9
84.08554	0.3
85.02908	2.1
85.06508	0.4
86.09704	1.2
89.03907	0.4
91.05486	15.2
93.07056	0.3
95.04961	1.2
95.07349	0.3
95.08578	0.6
96.04494	0.5
96.08125	0.7
97.02890	1.2
97.06528	0.4
99.04476	0.8
105.03380	0.6
105.07030	0.5
107.04905	0.4
109.02895	2.0
110.06030	0.3
110.07171	0.6
110.09682	20.6
112.07623	0.7
114.05525	0.8
116.07102	0.8
119.04946	23.6
119.08549	0.7
120.05247	0.6
120.08121	0.4
121.02853	1.0
124.07635	0.4
127.03897	1.4
128.10716	52.9
129.03362	0.3
129.10220	0.4
129.11073	0.7
130.08688	0.5
132.02058	0.7
132.04439	0.5
133.02864	0.4
136.05171	0.3
136.07585	1.4
137.09636	0.4
138.09184	0.3
145.02829	0.7
146.06000	0.6
147.04413	22.2
148.04781	0.4
148.07556	0.6
154.05008	0.3
156.10204	30.8
157.03937	1.9
162.03043	0.3
163.03838	0.5
164.04700	0.8
164.07019	0.6
167.06990	0.5
172.09660	0.4
174.11261	100.0
175.03908	38.0
175.11598	1.0
176.04311	0.9
177.05472	0.7
179.07060	1.7
192.04063	0.7
203.91757	0.3
207.06529	73.8
208.06841	1.1
213.12289	0.8
225.07602	0.5
245.06540	0.3
274.12848	0.6
336.12894	1.3
336.16522	19.5
337.16885	0.5
351.10736	3.9
352.82767	0.3
362.19470	0.4
369.11853	4.2
409.04413	0.3
542.22253	13.2
543.22113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.4
53.03938	0.6
55.01863	0.4
55.05496	0.6
57.03416	0.4
59.04990	1.4
60.04523	0.4
63.79911	0.3
65.03929	0.7
67.05499	0.6
67.46922	0.3
68.05022	0.9
68.51900	0.3
69.03433	1.7
69.07063	0.8
69.23454	3.1
70.06593	38.5
71.04974	0.6
71.06929	0.4
72.08156	1.8
72.24072	0.3
73.02906	0.5
74.06081	0.4
75.72239	0.3
77.03912	0.5
79.05489	0.6
81.03419	4.3
81.07048	0.9
82.06573	0.6
83.04989	0.6
84.08152	1.9
84.08554	0.3
85.02908	2.1
85.06508	0.4
86.09704	1.2
89.03907	0.4
91.05486	15.2
93.07056	0.3
95.04961	1.2
95.07349	0.3
95.08578	0.6
96.04494	0.5
96.08125	0.7
97.02890	1.2
97.06528	0.4
99.04476	0.8
105.03380	0.6
105.07030	0.5
107.04905	0.4
109.02895	2.0
110.06030	0.3
110.07171	0.6
110.09682	20.6
112.07623	0.7
114.05525	0.8
116.07102	0.8
119.04946	23.6
119.08549	0.7
120.05247	0.6
120.08121	0.4
121.02853	1.0
124.07635	0.4
127.03897	1.4
128.10716	52.9
129.03362	0.3
129.10220	0.4
129.11073	0.7
130.08688	0.5
132.02058	0.7
132.04439	0.5
133.02864	0.4
136.05171	0.3
136.07585	1.4
137.09636	0.4
138.09184	0.3
145.02829	0.7
146.06000	0.6
147.04413	22.2
148.04781	0.4
148.07556	0.6
154.05008	0.3
156.10204	30.8
157.03937	1.9
162.03043	0.3
163.03838	0.5
164.04700	0.8
164.07019	0.6
167.06990	0.5
172.09660	0.4
174.11261	100.0
175.03908	38.0
175.11598	1.0
176.04311	0.9
177.05472	0.7
179.07060	1.7
192.04063	0.7
203.91757	0.3
207.06529	73.8
208.06841	1.1
213.12289	0.8
225.07602	0.5
245.06540	0.3
274.12848	0.6
336.12894	1.3
336.16522	19.5
337.16885	0.5
351.10736	3.9
352.82767	0.3
362.19470	0.4
369.11853	4.2
409.04413	0.3
542.22253	13.2
543.22113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.9
55.01880	1.6
55.05520	0.7
57.03441	0.9
59.21908	0.5
60.24876	0.6
61.02930	1.6
62.12463	0.6
65.03959	1.9
67.05515	1.5
69.03423	4.8
69.07079	1.2
69.19740	1.3
69.20144	5.6
70.06585	1.6
71.04999	1.1
72.00893	2.8
73.02926	1.2
78.57282	0.5
79.05524	0.8
81.03416	4.6
81.07056	1.7
83.04993	0.6
83.08640	0.7
84.08124	1.0
85.02907	9.5
86.09715	0.8
87.00832	3.7
93.03411	1.0
93.07059	1.2
95.04962	1.1
95.08589	3.6
97.02902	4.2
99.04462	1.7
105.01876	2.9
105.03394	1.2
105.07024	0.9
105.55783	0.6
107.04984	1.3
109.02886	2.9
109.10121	0.8
111.04456	1.2
120.08052	0.9
121.02855	1.5
121.10118	0.8
123.04427	18.7
127.03931	5.5
128.07056	3.5
131.01299	1.5
131.05037	0.6
136.05171	0.8
137.02359	3.8
145.04994	1.5
146.81271	0.6
147.04358	1.1
149.02339	47.5
151.03902	13.4
151.07506	1.1
159.02907	1.5
161.02237	0.7
163.03877	2.6
164.04674	4.6
167.03401	84.4
168.03754	0.7
175.03914	1.7
176.03419	3.0
177.04185	5.8
177.05527	1.1
179.03430	1.2
182.04514	2.8
189.05478	3.6
191.03285	1.1
193.04959	0.8
194.04486	100.0
195.04865	1.0
203.69855	0.6
205.08566	0.7
207.06540	6.8
225.07561	1.9
231.05022	0.9
231.10156	15.4
249.11215	44.5
257.04468	0.6
260.05502	0.9
267.12238	4.8
276.12326	4.9
294.13342	78.3
295.13654	0.8
315.07648	0.7
336.14545	0.7
542.20447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.0
55.01870	3.6
55.05515	27.6
55.54669	1.7
57.03439	3.6
57.07072	10.1
58.06591	2.4
58.07412	2.4
65.03939	6.1
67.05505	80.1
69.03427	2.2
69.07069	22.8
69.18289	24.4
70.06589	7.4
71.04980	4.2
71.08629	5.4
75.96600	2.0
79.05489	95.8
81.03427	7.6
81.07055	66.4
83.04995	9.8
83.08621	11.5
85.06540	2.6
85.10203	2.5
88.07616	12.7
91.05479	65.4
93.07043	87.0
95.04968	21.8
95.08608	48.9
97.06520	7.7
97.10178	6.1
102.09169	9.9
103.05485	1.9
104.79236	2.0
105.04578	2.7
105.07030	51.0
107.04987	6.0
107.08591	32.4
109.06519	6.1
109.10168	15.1
111.05716	1.9
117.07023	11.2
119.08574	29.4
121.06509	3.8
121.10133	22.2
123.08068	5.9
123.11697	2.7
127.07588	2.8
128.06262	4.9
129.06981	16.5
131.08588	15.0
133.10127	16.3
135.08145	2.0
135.11711	10.4
143.08560	9.9
145.10112	14.3
147.08008	5.1
147.11688	35.5
149.13258	6.0
157.10219	4.7
159.11743	6.9
161.09685	4.5
161.13274	14.2
169.10225	3.8
171.11684	24.5
183.11635	2.9
189.12724	9.6
207.13811	28.4
246.28954	2.5
256.26352	20.8
257.26709	11.2
261.22052	3.3
283.26459	3.8
284.26730	4.4
284.29520	3.0
311.29501	13.8
312.29675	14.7
313.21921	2.1
388.37512	2.1
449.34293	2.8
480.89990	2.3
500.26328	2.2
540.53491	17.4
541.38959	100.0
541.53705	82.0
542.40472	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.8
55.05516	16.9
57.03434	5.1
57.06835	1.7
57.07073	10.8
62.47255	1.5
67.05507	33.6
68.53788	1.6
69.07076	11.7
70.06596	5.6
71.05005	2.0
71.08630	4.5
71.53401	2.6
74.09719	4.9
79.05495	32.4
81.03408	2.4
81.07054	32.8
81.15993	1.5
83.04981	3.8
83.08625	7.2
85.06551	2.0
88.07629	7.9
91.05484	28.6
92.66345	1.7
93.07038	26.8
95.04983	6.6
95.08608	22.8
97.06516	3.5
97.10171	4.1
102.09174	3.5
103.05451	2.2
103.91878	1.7
105.04544	1.7
105.07037	24.0
107.08582	14.7
108.64519	1.4
109.06553	1.9
109.10175	6.7
117.06994	10.0
119.08594	16.5
121.10136	7.6
123.08057	2.5
125.09623	2.2
129.07018	10.6
131.08556	17.0
133.10104	8.2
135.11723	5.3
141.07001	3.2
142.07805	3.7
143.08572	19.0
145.10135	18.5
147.11703	8.6
155.08575	10.4
156.09419	2.4
157.10127	16.2
159.11731	5.0
160.06984	1.3
161.13374	3.2
167.08583	3.9
169.10132	13.7
169.11134	1.2
171.11690	13.4
173.13318	3.7
181.10155	5.6
183.11699	9.9
185.13318	4.5
189.12810	1.7
193.10164	2.6
195.11760	6.2
197.13338	6.1
199.14963	3.3
201.16475	1.5
207.11781	3.0
207.13805	3.7
209.13214	3.5
211.14891	5.7
213.16483	4.4
223.14949	3.8
225.16371	3.8
235.14899	1.8
237.16423	2.5
239.17975	3.5
243.21208	3.3
256.26434	7.1
257.26801	5.1
261.22299	1.9
275.27783	1.8
283.26245	1.7
284.26724	2.0
284.29651	2.7
285.30045	2.4
311.29373	8.2
312.29819	6.1
317.24973	2.2
348.40518	1.6
431.33023	4.4
449.34262	14.5
467.35419	5.5
485.36118	2.4
505.36816	2.3
523.37982	12.9
540.53839	5.3
541.39001	100.0
541.53339	28.5
542.39160	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	541.2798
Annotation	CHEBI:68152
Peak:m/z	Relative Intensity
53.03933	2.5
53.13459	1.6
55.01858	6.1
55.05509	5.2
56.70726	2.1
57.07080	27.9
67.05497	12.1
69.03441	3.1
69.07061	8.1
70.05505	9.4
79.05492	16.5
81.03427	11.9
81.07043	5.9
83.08621	5.3
85.06533	9.5
91.05466	15.6
93.07059	11.6
94.10367	2.5
95.01328	68.4
95.04971	25.1
95.08614	9.7
97.02882	3.2
97.06516	5.1
103.05460	6.2
105.07039	45.7
107.04979	7.1
107.08604	16.0
109.06502	5.4
109.10158	3.0
115.05437	3.6
115.19900	2.0
117.07018	9.2
119.08589	20.7
121.06516	7.9
121.10152	6.1
123.04423	2.6
123.08070	2.3
123.11715	6.3
128.06227	3.4
129.07019	9.4
130.07739	2.9
131.04958	5.4
131.08524	15.4
132.05702	2.7
133.06487	32.3
133.10130	11.0
135.08051	2.9
135.11699	14.6
135.33621	1.9
137.06001	3.6
141.07088	3.1
142.07779	4.6
143.08549	10.8
145.06500	7.9
145.10100	20.3
147.07996	10.7
147.11703	3.4
149.05980	4.6
149.13269	2.5
151.07480	3.1
153.07011	3.4
153.09113	4.1
155.08560	7.2
156.09303	4.1
157.10117	10.6
158.10869	3.2
159.04477	2.6
159.08093	8.5
159.11681	14.4
161.05978	100.0
161.09648	6.2
161.13258	3.5
161.48715	2.2
163.07547	3.7
165.07016	2.9
166.07695	3.7
167.08569	7.3
168.09319	2.9
169.10097	8.6
171.08012	8.9
171.11707	6.8
173.05954	2.6
173.09604	10.1
173.13274	6.5
175.07533	17.6
175.11157	4.1
175.14844	2.6
177.05486	3.4
177.09023	3.1
179.08574	2.9
180.09256	2.1
181.10104	13.5
183.08037	2.9
183.11700	6.3
185.09641	11.2
185.13246	6.6
187.11230	5.1
187.14818	9.2
189.05504	4.9
189.09102	4.4
189.12756	3.8
191.03423	5.5
191.10657	2.5
193.10150	6.0
195.08063	5.4
195.11729	5.5
197.09641	11.6
197.13234	5.4
199.11229	7.2
201.09116	5.0
201.16457	2.6
203.14291	2.6
205.04982	12.4
205.12239	3.7
207.11665	3.7
209.09604	18.6
209.13225	4.8
210.10358	3.0
211.11205	4.7
213.09105	4.5
213.12802	2.9
215.10620	5.3
215.14359	3.6
217.10213	2.9
217.12210	8.8
219.06407	4.1
219.11702	3.0
221.09834	2.5
223.11258	4.2
223.14809	3.9
225.12730	3.4
227.10608	11.0
227.14302	3.5
229.15860	4.3
235.11183	4.5
236.11836	3.3
237.09164	7.3
237.12897	5.3
239.10605	3.2
241.12334	3.6
241.15958	3.2
247.11253	2.8
247.16898	3.6
249.12804	2.9
251.14310	5.8
253.08488	2.9
253.12242	3.3
254.13075	2.4
255.10172	13.7
255.13782	3.6
261.12885	3.0
265.12363	3.5
267.10168	6.1
267.13696	2.4
267.17517	2.7
269.15424	5.8
273.11179	4.0
277.12253	3.2
279.13770	4.4
281.15579	2.9
281.18915	2.7
283.16867	2.4
289.15866	2.1
291.13831	2.7
293.11829	2.5
295.16861	3.5
296.17877	2.4
297.14911	8.5
297.18497	9.4
307.13239	3.4
313.14517	3.8
315.15948	5.0
333.14828	5.3
335.16272	2.7
341.17410	12.7
347.20181	5.4
349.21457	2.5
359.19968	4.5
365.21231	3.1
375.19562	8.4
377.21063	11.4
393.20624	15.0
395.22284	13.9
403.19067	8.4
406.70169	2.5
411.21494	4.2
421.20071	11.2
439.21194	29.6
457.22220	8.3
541.28088	32.5
542.28583	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	541.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	22.8
55.01860	22.1
55.05502	24.1
57.03420	7.7
57.07068	75.1
59.04992	15.3
59.06114	47.6
65.03931	16.7
67.05499	54.5
69.03417	15.3
69.07069	32.0
69.31657	67.3
79.05489	65.7
81.02990	8.3
81.03419	91.3
81.07056	75.4
83.04969	24.0
83.08595	12.1
83.85216	6.9
85.06526	18.8
91.05476	64.0
93.07041	54.3
95.01334	12.3
95.04961	74.3
95.08598	40.0
97.06518	15.0
97.56720	6.8
105.07032	100.0
107.04939	34.6
107.08584	49.5
109.02884	65.6
109.06502	30.1
109.10148	15.7
111.04443	14.7
115.05453	10.5
117.06985	25.2
119.04213	7.2
119.08575	60.3
121.02863	58.1
121.06500	26.3
121.10165	32.1
123.08073	13.0
128.06200	16.3
129.06998	55.4
130.07825	7.2
131.08560	65.5
133.06476	34.6
133.10118	42.7
135.04385	18.4
135.08061	17.7
135.11665	11.3
137.05995	9.8
139.03906	39.3
141.06992	15.4
142.07782	33.9
143.08565	78.3
145.06468	38.6
145.10133	56.5
147.08078	23.7
147.11678	25.4
149.09561	14.7
149.13248	7.1
153.07037	13.9
154.07782	13.7
155.08543	46.7
156.09352	27.7
157.06505	25.7
157.10098	85.1
159.06914	7.4
159.08061	49.7
159.11670	44.3
161.05984	48.1
161.09587	18.5
161.13271	39.9
165.06993	11.5
167.08536	20.3
168.09241	7.7
169.10120	92.2
170.10883	12.3
171.08028	29.6
171.11696	63.2
173.09605	23.5
173.13249	19.1
175.03961	7.6
175.07535	22.9
175.11188	12.7
179.07079	7.4
179.08540	19.5
180.09332	15.6
181.10143	31.2
181.17703	6.3
182.10843	12.6
183.08080	15.5
183.11703	76.2
184.12413	6.9
185.09485	15.2
185.13228	40.3
187.07494	11.7
187.11205	23.8
187.14796	15.5
189.09103	12.3
192.09325	18.0
193.10152	27.1
194.10844	7.4
195.07977	13.7
195.11699	42.4
197.09624	20.4
197.13234	41.1
199.07628	8.2
199.11151	32.4
199.14825	24.0
201.12761	8.7
205.10107	13.3
206.10884	13.4
207.11732	23.1
209.09662	12.1
209.13269	43.1
210.13907	8.8
211.11119	27.6
211.14813	20.5
213.09116	8.8
213.12854	10.8
213.16426	48.6
215.10637	16.7
215.14378	9.6
215.17851	11.5
217.10251	11.8
219.11589	12.8
220.64163	6.8
221.09723	10.2
221.13249	19.4
223.11169	14.5
223.14847	30.8
225.09125	12.1
225.12708	30.6
225.16327	27.3
226.17091	14.0
227.10542	14.6
227.14313	21.8
229.12157	25.2
233.13240	10.6
235.11180	13.0
235.14786	11.0
237.12788	12.4
239.14229	11.6
241.12048	11.1
241.15825	20.9
243.13792	20.4
243.17389	9.8
245.15387	9.9
249.12753	17.6
253.15974	12.0
255.13870	9.0
261.12515	9.5
263.14236	13.0
265.12305	11.9
271.17035	8.5
273.15063	9.1
283.17004	12.4
285.18481	17.2
289.15741	10.8
295.13281	18.0
295.20526	17.5
301.17914	10.5
303.19650	11.7
305.18976	9.6
309.14902	8.9
317.15161	8.3
319.19150	8.3
323.20016	33.0
331.18985	85.4
333.18365	20.5
335.16364	16.4
351.19565	59.1
357.18518	11.2
361.17844	8.8
363.15900	15.8
379.19022	38.3
381.17093	15.9
403.19031	11.6
421.20023	18.0
439.21274	32.3
479.89957	6.6
541.27368	21.7
541.35376	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.8
55.01867	9.7
55.05502	27.8
57.03434	13.0
57.07079	8.2
67.05505	35.9
69.03431	55.9
69.07063	24.0
69.93523	36.8
70.06584	20.3
71.04982	17.6
72.08155	9.5
79.05499	45.7
81.03416	65.0
81.07037	39.4
83.05000	22.9
84.08144	18.8
85.02893	57.9
85.06539	33.6
86.09711	13.3
87.00815	23.1
91.04971	7.7
91.05469	41.3
93.07069	51.0
95.04967	34.8
95.08592	45.4
97.02891	25.0
97.06512	14.8
97.10205	8.4
98.21534	11.5
99.04432	16.4
99.08076	9.7
100.11173	8.9
100.24858	8.5
105.01910	18.2
105.03407	14.9
105.07008	45.5
107.04945	26.3
107.08572	47.7
109.02888	42.6
109.06525	24.2
109.10151	42.5
111.08080	20.6
113.09628	9.9
117.07001	9.7
119.04926	12.1
119.08584	56.2
121.06519	31.0
121.10133	50.3
123.04424	19.8
123.08033	11.8
123.11691	21.9
125.09611	24.0
125.10512	9.4
127.03897	54.0
131.08617	20.1
133.10133	29.4
135.04329	11.2
135.08075	22.8
135.11696	26.6
137.05989	13.5
137.09621	22.5
139.11179	13.6
143.08540	17.1
145.04893	14.2
145.06464	11.1
145.10112	29.9
147.04407	15.0
147.08041	9.8
147.11685	18.5
149.05956	12.0
149.09633	38.0
149.13197	9.8
151.03882	9.6
151.11226	17.7
152.22020	8.5
153.09099	21.2
157.10127	16.3
159.02896	11.5
159.08080	10.6
159.11736	18.7
159.65941	8.3
161.13242	14.9
163.11160	17.3
165.09143	17.4
165.12740	10.0
167.07068	10.6
169.10165	8.0
171.11667	16.2
173.09641	13.5
173.13297	37.9
175.03838	9.9
177.05444	8.8
177.09167	7.5
179.10703	8.9
185.09570	10.1
187.11150	9.0
187.14937	10.5
189.12778	18.6
191.10649	8.3
191.14259	16.8
192.54961	8.8
194.04588	9.0
196.96185	8.5
203.14403	8.6
207.06532	19.2
207.13789	13.9
213.03912	8.5
215.10614	11.6
217.15936	9.0
219.13684	9.0
257.19031	22.7
275.20053	100.0
293.21112	96.5
306.29276	8.2
404.92404	8.3
497.23260	16.5
541.21637	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.9877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98643	0.4
55.93049	0.4
56.96566	6.1
60.55368	0.4
64.80238	0.4
65.86700	0.4
69.53002	2.5
69.75246	0.4
71.95255	0.8
81.39400	0.4
98.97584	60.4
116.98620	54.2
126.00507	0.4
134.99657	28.2
140.00177	1.9
146.15137	0.4
148.64758	0.4
153.00708	4.6
158.01279	1.4
172.94312	2.3
181.98878	0.4
190.95398	3.7
208.96498	1.8
214.95531	1.7
232.96454	7.6
240.98788	0.8
248.94522	0.6
250.97533	7.1
256.96405	14.6
258.99780	6.8
260.99591	0.7
272.94339	0.6
274.97513	100.0
275.97882	2.0
276.97855	0.6
277.00830	12.8
278.01184	0.6
283.00003	0.6
290.95554	1.8
292.98557	81.0
293.98959	1.4
294.98935	0.7
297.99069	6.6
298.97748	1.3
299.97977	0.5
300.02255	1.0
301.01361	0.8
308.96817	0.6
310.99628	0.9
314.95447	0.5
316.00165	4.0
316.98767	3.6
317.46173	0.6
317.98834	0.6
318.98666	0.6
332.96594	1.1
374.97964	1.2
382.99823	0.8
398.97598	18.9
399.97678	0.8
401.01025	3.2
403.23978	0.5
414.95309	0.6
416.98694	56.6
417.99094	2.1
419.02176	0.7
432.96567	0.9
434.99774	13.8
440.00290	5.9
441.00259	0.7
441.99341	0.7
456.96460	2.0
458.01727	0.6
458.99997	0.8
474.97919	0.6
498.98849	1.1
540.98792	15.0
541.98932	1.2
558.98010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.0
55.01873	18.0
55.05493	22.5
57.03423	10.4
61.02924	7.0
65.03964	9.8
66.34358	6.6
67.05500	41.1
69.03423	53.8
69.07062	25.8
69.93576	39.9
69.93945	12.4
70.06580	30.6
71.04983	7.2
73.02912	7.3
77.03956	9.0
79.05489	28.9
81.03410	64.2
81.07053	54.4
83.04979	31.7
84.04467	7.6
84.08148	16.2
85.02896	65.7
85.06535	27.3
85.07675	11.1
86.09695	9.4
87.00819	20.6
91.05480	29.0
93.07064	49.3
95.04959	31.0
95.08607	43.2
97.02880	21.4
97.06558	8.7
98.20825	9.4
99.04419	16.1
105.01868	12.2
105.03394	9.1
105.07025	44.5
107.04950	18.6
107.08591	34.7
109.02888	43.2
109.06502	17.4
109.10164	38.2
110.96275	6.6
111.04438	10.9
111.08074	22.8
113.09624	11.2
117.06990	15.7
119.04999	8.3
119.08555	37.2
121.02856	13.4
121.06497	29.2
121.10114	43.8
123.04425	24.8
123.08096	10.3
123.11698	17.3
125.05988	10.1
125.09626	26.1
127.03913	60.6
127.07597	9.0
129.11723	7.8
131.08554	20.6
133.10118	32.9
135.04448	13.3
135.08041	21.0
135.11691	19.7
137.05963	8.7
137.09610	19.0
143.08582	17.7
145.05003	13.5
145.06493	15.7
145.10135	30.7
147.04376	17.9
147.08040	12.6
147.11679	16.9
149.09625	32.9
149.13327	10.0
153.09140	17.5
155.08646	7.9
157.10126	18.0
159.02898	9.2
159.11603	18.1
161.09616	11.5
161.13278	14.4
163.11137	17.1
165.09077	14.7
167.07094	11.1
167.10658	8.5
171.11647	12.0
173.09659	20.8
173.13263	28.2
175.03891	11.0
175.11226	8.7
177.05350	8.6
179.10645	11.2
187.11133	17.9
187.14758	13.3
189.12695	12.8
191.10710	9.0
191.14372	11.2
201.12717	9.4
205.12135	10.4
207.06589	13.2
207.13719	17.2
219.02715	8.9
229.19576	8.0
257.19000	16.7
272.69073	8.4
275.20096	100.0
293.21106	95.9
401.75854	8.4
497.22998	9.6
541.21191	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.5349
Annotation	C16 Sphinganine
Peak:m/z	Relative Intensity
55.05505	0.8
57.07075	8.0
58.06587	0.5
67.05492	1.3
69.04175	0.3
69.07059	1.5
69.21947	3.4
69.22363	0.7
70.06597	5.6
71.08630	3.9
73.02917	0.9
76.41564	0.4
81.07049	1.9
83.08591	1.0
85.10178	1.8
88.07632	9.2
89.06013	0.8
95.08595	1.6
97.10153	0.4
102.09184	6.8
109.10171	0.6
133.08623	0.6
243.17313	0.3
256.26355	21.1
274.27438	1.6
283.26306	6.8
284.26572	0.8
284.29456	6.9
302.30542	0.6
311.29431	19.8
332.52274	0.4
378.96805	0.4
540.53497	100.0
541.53864	2.3
542.61096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09427	1.1
52.37130	1.3
53.03922	1.8
53.18717	1.1
55.01865	2.7
55.05513	6.9
56.05022	3.0
57.07073	14.1
58.06580	1.9
58.42939	1.2
60.04523	74.3
67.04225	1.6
67.05504	14.3
69.07062	8.1
70.06606	8.1
70.71565	1.9
70.71898	2.4
71.08637	7.3
72.04523	1.6
79.05481	7.1
80.05012	2.9
81.07074	9.3
82.06576	19.1
83.04945	1.8
83.08607	7.2
85.06535	1.6
85.10175	3.2
88.07641	12.9
89.06020	2.1
91.05494	7.2
93.07042	16.5
94.06564	17.8
95.04967	15.0
95.08603	8.9
95.73722	1.3
96.08114	3.8
97.06495	2.2
97.10176	3.1
98.09699	6.3
100.07665	1.5
102.09195	8.0
103.05423	2.0
108.08106	4.0
109.06519	1.8
110.06039	3.3
110.09690	10.1
111.08047	3.9
112.07564	2.1
120.08107	8.9
121.06474	7.1
126.09180	12.1
133.08607	1.7
138.09143	49.9
139.07526	9.1
156.08986	2.5
156.10201	31.9
174.11246	9.1
256.26334	24.0
274.27353	2.0
283.26361	11.7
284.29559	7.8
288.90210	1.6
300.06512	1.2
311.29437	22.8
328.84552	1.3
384.38577	1.9
410.89377	1.3
426.39642	2.3
504.43765	2.5
522.45264	26.4
540.45966	100.0
540.53485	64.6
541.46271	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	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	18.6
55.01872	15.0
57.03425	10.9
61.02924	6.4
63.08246	6.2
67.05500	12.1
69.03436	46.0
69.07074	9.0
69.39096	27.1
69.39521	29.8
71.04979	10.5
73.02928	9.8
81.03419	40.7
81.07050	11.9
85.02908	92.4
87.00412	6.2
87.00838	52.4
88.69875	5.9
91.05480	11.8
97.02355	9.7
97.02893	73.8
97.43676	6.7
99.04446	17.4
100.73963	6.4
103.05487	6.7
105.01868	40.5
107.04932	22.2
109.02885	54.8
109.10145	11.2
127.03927	79.3
129.01859	9.5
133.02863	17.1
145.04953	45.1
147.04408	9.2
151.03891	100.0
159.02863	12.0
165.05481	55.3
179.07018	12.7
189.09157	8.0
193.08575	14.8
201.09039	8.7
224.34950	7.0
231.05052	12.1
246.01842	7.1
257.15329	43.9
262.49478	6.6
270.97806	7.1
275.16541	32.9
278.65692	6.5
365.17371	12.0
407.83127	6.5
442.23724	6.3
443.49014	6.9
469.12305	6.7
487.19244	13.4
505.20792	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	540.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69738	0.4
55.04255	0.5
56.05020	0.5
60.04522	1.2
61.00878	0.3
61.01139	2.1
61.02945	0.4
67.05505	0.6
69.03441	0.8
70.06593	3.1
70.58337	0.7
70.58670	0.7
72.04516	21.6
72.08155	1.3
74.06086	0.6
78.03790	5.6
81.07049	0.6
84.04502	0.8
84.08134	1.0
85.02899	1.5
85.06538	0.5
86.09699	1.4
88.02209	1.8
91.05470	0.5
93.07047	0.7
95.04978	0.9
96.08110	0.4
97.02879	0.8
99.04452	0.5
99.05556	0.5
100.03976	100.0
101.04301	0.7
102.03764	9.1
105.07033	0.6
106.06682	0.4
110.07181	0.8
113.05992	0.6
116.07086	0.6
120.04803	1.7
121.02793	0.4
124.07584	0.6
125.89112	0.4
127.03912	0.6
128.48753	0.4
130.08644	0.4
131.06355	5.1
132.04781	5.6
136.07570	1.0
138.05492	0.7
142.08644	0.7
145.02843	0.6
145.05055	0.4
147.04430	0.5
149.07437	61.5
150.07693	0.8
154.05020	1.0
161.13322	0.4
164.07111	0.5
166.08633	0.5
167.06897	0.4
177.05447	1.8
181.04944	0.4
182.08086	0.5
184.09705	0.8
215.08391	0.7
243.11565	0.5
248.10631	4.3
261.12689	13.7
279.13803	2.6
360.15964	1.0
410.15848	6.4
427.07355	0.4
440.15976	0.4
522.20819	1.8
541.13635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80580	3.5
53.03938	8.4
55.01877	7.5
55.05503	12.8
57.03412	5.4
57.07085	6.5
65.03934	8.8
66.68659	3.8
67.05505	32.5
69.03433	19.9
69.07070	27.2
70.06590	41.2
70.75153	8.7
70.75502	4.0
71.04984	16.2
72.08134	9.7
75.04499	4.0
79.05485	20.0
79.64165	3.1
81.03420	14.5
81.07054	62.5
83.04982	51.0
83.08620	10.3
84.04501	11.0
84.08128	13.4
85.02910	17.1
85.06535	18.4
85.31749	4.6
86.06086	4.9
86.09709	10.0
91.05475	36.5
93.03400	10.6
93.07037	37.7
95.04964	45.1
95.08602	45.8
97.02877	16.1
97.06526	12.0
97.10152	4.2
99.04450	11.8
103.05466	4.0
105.03354	3.9
105.07027	28.8
106.04178	27.8
107.04949	8.4
107.08587	24.7
109.02895	10.2
109.06524	15.6
109.10150	44.0
110.07171	16.5
111.04497	4.3
111.08086	8.4
113.05994	20.5
117.07037	5.4
119.04926	10.7
119.08588	23.8
120.05257	3.7
120.08044	4.5
121.02876	5.9
121.06496	33.9
121.10133	24.7
123.08029	4.8
123.11705	26.4
124.07608	4.7
125.06013	14.1
127.03918	11.3
127.07525	5.6
128.07069	12.2
129.10275	6.2
131.04884	5.1
131.08551	12.1
133.06487	5.6
133.10127	15.4
134.03635	5.3
135.04459	5.6
135.11671	11.5
136.07579	6.8
137.05984	11.1
137.09619	6.5
137.13240	7.5
140.24532	3.7
145.02850	7.2
145.10127	16.1
147.04424	11.7
147.11690	13.1
148.04776	3.8
149.05975	45.7
149.09657	4.9
149.13245	10.4
151.03906	5.6
151.07657	3.5
152.07018	6.4
152.49757	4.2
153.07346	4.2
153.09125	12.8
154.05061	4.7
157.10100	4.2
159.11739	11.4
160.07510	4.2
161.13307	8.5
162.05518	3.9
163.07515	6.3
163.11140	7.9
165.05455	4.0
166.06111	4.9
167.07028	8.2
167.10674	5.7
170.08179	5.8
172.06108	3.9
174.88629	3.9
175.03937	7.1
175.14772	4.3
177.05455	27.3
177.16463	8.4
181.08574	21.3
191.06834	4.4
196.78375	3.7
203.17986	13.8
207.06458	17.2
208.06810	6.9
209.08095	100.0
221.19041	7.2
223.04335	7.7
235.11867	9.5
239.20190	4.9
241.84569	4.0
243.21098	6.9
246.33955	3.7
255.11433	4.8
269.22632	8.4
273.11624	4.2
287.23666	8.3
302.52045	4.2
305.24713	10.5
321.62662	3.8
323.25751	32.7
341.26932	27.7
359.28159	5.2
398.25626	6.2
539.19415	16.9
539.30908	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.8
53.81315	2.7
55.01878	4.7
55.05507	8.1
56.18467	2.9
57.07075	33.8
57.28379	3.1
65.03927	4.8
67.05495	18.3
69.03407	4.0
69.07062	6.7
69.19973	33.0
79.05492	18.4
79.52396	2.7
81.03419	14.0
81.07043	7.6
83.04988	16.9
84.05302	7.0
85.02946	3.1
85.06548	12.8
91.05473	22.5
93.07047	14.6
95.01334	85.2
95.04966	55.5
95.08604	4.9
98.21560	4.4
103.05478	9.1
105.07030	63.2
107.04967	7.2
107.08601	9.8
109.06510	4.0
109.10172	3.8
115.05459	7.3
117.07039	10.5
119.04964	4.2
119.08620	16.8
121.02837	6.3
121.06510	11.6
122.93102	3.1
123.04433	4.5
128.06221	10.1
129.07021	12.4
131.04922	11.9
131.08534	14.4
133.06502	26.3
133.10135	6.2
141.06989	6.0
142.07787	11.6
143.08588	34.2
145.02846	13.7
145.06503	9.9
145.10147	12.6
147.04460	4.5
147.08072	7.3
147.11678	5.1
149.06021	11.0
153.06998	4.1
154.07784	3.7
155.08560	21.0
156.09344	13.7
157.06496	4.5
157.10156	21.1
159.04385	8.9
159.08052	8.3
159.11702	4.7
161.05980	100.0
161.09578	3.8
163.07596	4.8
165.07018	9.4
167.08617	9.7
168.09305	8.2
169.10114	36.9
170.10895	6.1
171.08049	25.2
171.11742	26.0
173.13303	6.4
175.07561	17.3
177.05548	7.0
178.07814	3.9
179.08556	17.8
180.09390	5.2
181.10162	19.0
183.08139	5.2
183.11690	39.9
185.09633	9.0
185.13239	26.5
187.03845	3.8
187.07564	6.3
189.09102	5.7
191.03394	10.3
191.08562	5.7
192.09351	8.0
193.04945	5.2
193.10031	14.3
194.10851	7.6
195.08102	3.7
195.11740	16.4
197.09686	10.1
197.13321	8.9
199.14864	6.0
201.05478	8.1
204.09430	3.3
205.04994	33.7
205.10162	4.4
206.10875	4.4
207.08099	3.9
207.11664	20.8
209.09627	9.6
209.13239	22.4
211.07516	3.3
211.11206	7.0
211.14861	8.1
213.12750	11.3
217.10266	4.1
219.06526	9.0
219.11694	5.7
221.09589	5.3
221.13257	13.3
223.11147	7.1
223.14882	4.9
225.09114	8.3
225.12729	7.5
225.16383	3.3
227.10669	8.3
227.14275	4.9
229.10089	3.4
229.12164	6.7
231.11623	4.4
231.13792	6.5
233.13252	6.1
235.07561	12.0
235.11214	11.8
235.14838	7.3
237.12950	7.6
237.16397	5.4
239.14182	6.4
245.09782	3.5
245.15392	4.3
247.11278	4.3
249.12901	4.2
251.10582	4.5
253.08421	5.8
253.12216	15.2
259.11139	4.5
261.12808	7.4
263.14288	4.8
267.13840	7.2
269.15393	8.0
273.12683	4.7
277.12039	4.2
281.15411	3.6
289.15900	3.5
295.13293	13.7
295.16833	4.8
297.18457	3.9
301.15985	4.8
313.14584	11.8
319.16919	5.8
331.13284	14.3
331.16965	7.1
333.14880	5.9
333.18466	5.0
345.18698	4.5
355.16907	3.5
357.14691	9.6
359.12650	13.6
359.16446	6.7
373.18146	15.5
375.19534	9.1
377.17566	9.9
383.16760	5.6
391.19025	9.8
393.20526	11.2
401.17410	7.9
419.18533	13.0
437.19696	24.0
539.23517	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	539.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01871	7.2
55.05504	4.6
57.06793	2.3
57.07076	43.9
63.20070	1.3
65.03933	2.9
67.01875	1.8
67.05514	17.7
69.03439	7.9
69.07060	5.7
69.51249	10.4
70.56176	1.3
71.08621	8.3
73.02919	5.3
75.18774	1.4
79.05495	19.8
81.03419	14.8
81.07052	14.0
83.04999	2.4
83.08626	6.3
85.02902	3.6
85.06541	2.5
85.10188	5.6
85.44514	1.2
86.99764	1.4
91.05471	20.4
93.07050	11.6
95.01329	68.9
95.04971	32.9
95.08604	9.7
97.02894	4.1
97.06525	1.8
97.10154	1.4
99.04425	2.0
103.05475	9.6
104.31498	1.4
105.07029	56.0
107.04945	6.3
107.08569	5.7
109.02892	8.1
109.06504	4.4
109.10151	6.2
111.04469	7.3
115.05444	6.7
116.06182	1.9
117.07030	10.0
118.40656	1.6
119.04974	3.3
119.08582	17.3
121.02847	3.1
121.06496	9.7
121.10166	4.0
123.04387	2.0
123.08067	1.5
123.11715	2.1
127.03932	4.0
128.06230	7.0
129.06992	9.0
131.04942	5.1
131.08565	12.4
132.05611	1.4
132.99553	2.9
133.06488	25.8
133.10120	5.7
135.08043	4.3
135.11638	1.8
137.13347	1.5
141.06975	6.5
142.07762	6.3
142.98219	1.4
143.08568	16.8
144.05498	1.4
145.02882	4.1
145.06459	8.9
145.10118	18.2
147.04390	2.9
147.08057	11.0
147.11684	3.8
149.06006	3.3
153.06992	2.0
154.07785	3.0
155.08565	12.4
156.09299	9.2
157.06500	3.5
157.10120	14.8
158.07269	2.0
159.04419	2.9
159.08064	9.6
159.11717	10.6
161.05978	100.0
163.07542	3.2
165.07014	5.2
166.07709	2.7
167.08604	7.1
168.09370	3.8
169.06537	2.2
169.10104	12.4
170.10905	6.3
171.08052	14.9
171.11691	15.1
172.08760	2.6
173.05946	2.3
173.09654	5.3
173.13203	3.9
175.07542	13.2
175.11215	1.7
177.05481	3.5
178.07707	1.7
179.08545	9.5
180.09308	3.4
181.06483	2.7
181.10106	7.9
182.07231	1.7
182.10922	2.9
183.08061	4.6
183.11690	20.2
185.09695	7.2
185.13239	12.6
187.07506	5.4
189.05460	3.3
189.09099	4.4
191.00037	3.6
191.03394	8.0
191.08609	2.4
192.09306	4.3
193.05034	2.6
193.10138	8.7
194.10936	4.4
195.08032	3.4
195.11664	9.4
196.12407	1.7
197.09659	5.5
197.13295	5.4
199.11223	4.8
199.14835	3.6
201.05502	3.4
201.09068	3.6
202.07761	2.0
203.06981	3.0
203.08597	2.4
205.04965	17.7
205.10083	4.8
206.10933	4.3
207.08139	1.8
207.11655	12.6
208.08801	2.5
208.12428	3.8
209.01141	1.6
209.09898	8.0
209.11646	3.7
209.13272	6.2
210.10384	1.7
211.07573	2.3
211.11198	9.2
211.14703	3.1
213.09201	3.0
213.12743	10.5
215.08716	2.4
215.10693	1.8
217.10144	2.7
218.11121	1.6
219.06442	3.3
219.11679	4.9
219.13742	1.8
220.12480	3.2
221.09753	3.2
221.13240	7.9
223.11191	3.0
223.14818	5.4
225.09120	3.8
225.12781	5.1
227.10667	4.9
227.14326	4.0
229.10217	2.7
229.12291	3.7
230.10927	2.1
231.11719	2.9
231.13846	3.5
232.08806	1.9
232.12434	2.2
233.09592	3.6
233.13287	3.8
234.10323	1.6
235.07579	3.3
235.11177	5.3
235.14825	6.0
236.11864	2.2
237.08994	1.6
237.12723	3.7
239.14372	3.1
239.18167	1.5
239.23708	8.8
241.12222	1.9
243.13834	2.2
245.09705	2.2
245.13358	3.0
247.11235	6.4
247.14717	2.4
248.11990	1.5
249.09244	1.9
249.12732	7.1
249.16408	3.3
250.13249	1.5
251.10661	2.1
251.14279	3.6
251.17969	3.4
253.08449	1.8
253.12276	3.6
255.13907	2.1
259.11121	2.9
259.14850	2.1
261.12796	1.8
261.16324	1.8
263.10791	2.0
263.14307	2.9
265.12186	4.9
265.15955	3.4
267.13873	4.9
267.17651	1.8
269.15424	4.0
273.12515	1.9
275.14319	2.9
277.12503	2.8
277.15854	4.3
279.17413	2.6
287.14230	2.9
289.12659	1.5
289.15906	2.2
291.10370	2.3
293.15372	3.1
295.13364	4.9
295.16946	2.4
297.14871	1.5
303.13940	2.2
303.17502	2.0
305.15305	3.5
307.16931	7.0
308.17584	7.3
309.11346	1.8
313.14450	3.0
313.27396	5.9
317.11945	1.9
317.15601	1.6
319.16940	1.7
323.16409	1.6
327.17551	2.1
331.13315	3.1
331.16833	3.1
333.14819	5.3
333.18411	2.5
341.17453	2.5
345.18549	5.7
347.20117	2.4
351.15866	3.3
355.16757	2.7
357.18488	2.9
359.12592	4.6
359.16397	3.5
373.17883	11.2
375.19589	10.8
391.19061	11.3
393.20547	10.6
401.17703	9.2
409.19901	2.8
419.18704	13.0
437.19629	25.4
539.26642	14.5
539.39111	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	539.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.01866	10.3
55.05502	11.5
55.05755	3.4
57.03429	2.5
57.07074	71.9
65.03944	3.0
67.05509	28.7
69.03419	7.5
69.07056	9.2
71.08627	12.7
71.53209	5.7
79.05492	29.4
81.03404	14.6
81.07053	26.7
83.04980	10.8
83.08627	11.7
85.02869	3.8
85.06532	15.8
85.10181	7.2
87.76350	2.5
89.06011	7.6
91.05074	2.5
91.05489	28.6
93.07035	27.7
95.01329	100.0
95.04958	25.0
95.08602	21.5
97.02874	8.7
97.06535	7.2
97.10155	4.2
103.05465	5.9
105.07027	54.9
107.04969	5.9
107.08591	18.2
109.02812	3.6
109.06509	6.5
109.10152	12.3
111.04444	15.3
111.08050	3.1
111.11729	3.5
115.05447	7.0
117.06988	16.8
119.08564	19.5
121.06494	7.9
121.10152	14.1
123.08153	4.5
123.11720	5.9
124.86266	2.7
128.06221	12.5
129.07014	10.6
130.07785	3.6
131.08553	20.0
133.06467	21.3
133.08591	4.0
133.10152	7.1
135.08044	8.0
135.11665	7.9
141.06989	6.9
142.07761	9.1
143.08556	24.2
145.02861	3.8
145.06509	17.8
145.10133	22.0
147.07965	6.4
147.11684	5.0
149.09581	3.0
153.07062	3.7
154.07848	3.7
155.08589	10.8
156.09369	7.7
157.06500	6.8
157.10143	14.9
159.04396	3.2
159.08047	7.9
159.11661	7.6
161.05980	71.3
161.09599	3.8
163.07507	5.3
163.11217	8.1
165.06979	8.7
167.08536	9.6
168.09372	3.9
169.06422	5.1
169.10162	15.1
171.07988	9.8
171.11725	11.7
173.09593	5.9
173.13286	3.7
175.07510	13.1
177.05550	2.9
178.07803	3.3
179.08551	12.0
180.09294	4.5
181.10150	10.4
181.12158	3.7
182.10899	4.7
183.08102	4.9
183.11679	15.2
185.05876	3.4
185.09665	10.4
185.13232	9.7
187.07520	12.7
187.11128	5.3
189.09111	6.1
191.03369	4.7
191.08554	3.5
191.10641	5.0
193.10112	7.5
195.07991	7.0
195.11664	10.3
196.08827	3.3
197.09615	9.5
197.13316	4.4
199.07603	4.3
199.11124	4.6
201.09109	4.0
203.06975	3.1
205.04939	6.8
205.10144	4.0
206.10851	4.4
207.08080	3.7
207.11668	3.9
209.09584	9.7
209.11613	47.7
209.13309	5.8
211.07619	3.9
211.11118	7.8
211.14780	3.1
213.09242	3.6
213.12825	3.4
215.10579	3.9
217.12241	4.7
221.13206	12.0
222.10620	2.7
223.11217	4.5
223.14777	6.5
225.09071	4.9
225.12840	4.7
227.10706	6.4
227.12596	13.2
229.12343	3.1
233.09731	4.7
235.11259	3.2
237.12743	4.7
239.14267	3.5
239.23868	4.8
243.14072	3.9
245.13713	4.2
249.12694	7.5
251.14284	5.7
263.30353	3.5
265.12064	3.3
267.13809	9.8
269.15460	5.4
275.14334	2.9
277.12253	4.1
277.15491	3.7
283.15436	18.9
285.14929	3.8
295.13293	6.3
307.16989	4.3
313.14368	16.5
313.27359	11.8
329.19073	3.3
331.15744	4.9
345.18320	4.1
363.19864	2.9
373.17810	7.9
375.19519	5.7
391.18948	8.8
393.20596	11.5
397.20215	2.9
409.20215	5.3
419.18613	6.3
437.19574	65.1
521.38379	12.2
539.26129	8.1
539.39624	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	539.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01852	3.9
55.05510	4.7
57.07074	59.6
61.46367	2.5
61.61623	3.0
65.03930	7.0
67.05502	31.8
69.03424	3.6
69.07071	3.9
69.51604	15.5
69.52016	5.6
75.78555	3.4
79.05475	7.0
81.03405	17.1
81.07030	5.6
85.06544	18.2
91.05468	18.6
93.07018	9.1
95.01328	75.9
95.04969	100.0
95.08578	3.5
95.82305	2.7
97.02856	2.8
97.06544	3.1
103.05435	5.0
105.07047	19.4
107.08585	2.5
109.06503	4.4
115.05469	4.5
117.07012	10.2
119.08564	12.7
121.02908	3.2
121.06497	11.9
121.10053	2.7
123.04405	6.8
128.06200	12.3
129.06990	11.0
131.04893	4.0
131.08551	10.1
133.06488	8.1
133.10094	4.8
141.06979	10.2
142.07753	12.0
143.08559	42.2
145.06456	11.5
145.10130	19.4
146.33157	3.0
147.08043	7.5
147.11641	3.9
149.05972	8.3
152.06174	4.3
153.06929	5.6
154.07788	4.4
154.15883	3.3
155.08514	21.0
156.09326	7.8
157.06548	3.4
157.10106	26.6
159.08084	12.9
159.11700	5.5
161.05943	23.8
161.09592	3.6
161.13252	2.9
163.07535	2.8
165.06924	14.4
166.07764	10.3
167.08565	20.6
168.09329	8.1
169.06458	8.7
169.10103	34.6
170.10867	4.9
171.08054	62.2
171.11652	6.6
172.08727	2.8
173.06088	3.0
173.09593	6.2
175.07547	15.5
178.07764	5.6
179.08543	32.0
180.09329	8.9
181.06558	5.2
181.10112	29.9
182.07236	3.5
182.10953	3.3
183.08118	13.8
183.11646	24.2
184.12468	9.7
185.05984	3.6
185.09641	17.3
185.13248	6.1
187.07570	6.6
187.11171	3.1
189.09023	4.5
190.07822	4.7
191.08528	6.9
192.09296	8.2
193.04967	8.6
193.10127	16.7
194.07207	12.0
194.10895	3.4
195.08008	14.0
195.11624	14.7
196.08833	6.1
197.09639	31.0
197.13193	6.2
199.07401	3.1
199.11125	8.8
199.14824	9.1
200.12079	4.0
201.05443	6.0
201.12752	5.7
203.06946	4.3
203.08664	3.3
203.10464	2.7
205.04895	4.1
205.10091	4.4
207.08086	25.6
207.11685	11.9
208.08850	8.1
209.09615	39.3
209.13245	7.0
211.07610	6.8
211.11185	27.8
211.14674	5.8
212.11995	5.0
212.15608	3.5
213.09105	7.6
213.12732	8.4
219.06445	6.6
219.11699	9.8
220.08870	4.8
221.09639	9.4
221.13235	7.9
222.10442	5.1
223.07536	5.0
223.11176	7.7
223.14818	5.1
224.11891	3.3
225.09154	19.9
225.12714	8.1
227.10664	21.5
227.14281	7.6
228.11455	4.1
229.10278	4.0
229.12276	7.2
231.11610	3.2
231.13715	3.4
232.08743	5.3
233.09584	8.7
233.13101	4.7
234.10306	4.1
235.07556	35.2
235.11076	22.6
237.09048	11.8
237.12662	12.6
239.10670	4.6
239.14278	9.3
241.15895	3.6
245.09668	5.4
245.11739	3.9
246.10356	5.3
247.11156	9.8
248.08379	3.2
248.11829	3.7
249.12735	11.3
251.10567	4.5
251.14240	6.0
252.39468	2.9
253.08615	31.0
253.12244	7.6
255.10072	13.3
255.13969	4.1
259.11087	4.1
260.12119	3.5
261.12973	6.1
263.10632	9.2
265.12091	4.4
267.13873	7.5
269.15417	8.3
271.09686	4.6
273.12686	2.9
275.10962	3.3
275.14355	5.8
277.12329	3.8
277.15857	4.5
279.13791	6.5
279.17593	3.5
281.11752	5.9
285.12354	4.3
285.15121	5.4
287.16705	4.5
289.12265	3.1
289.15955	5.3
291.13757	6.4
293.15491	3.4
295.13287	17.7
295.16556	6.3
297.15100	22.4
297.18326	4.7
298.09787	4.3
299.10715	3.5
302.12576	3.9
303.13910	7.6
305.15286	7.1
306.16174	4.3
307.16803	12.5
308.17578	4.1
313.14331	10.7
315.13632	3.5
319.13382	4.8
331.13257	23.9
331.16656	5.1
333.14719	8.2
334.15445	4.2
337.14407	3.2
341.11563	2.9
345.18466	5.1
349.14420	4.4
351.15918	11.3
352.16562	20.6
359.12802	27.5
363.19540	4.6
373.17902	8.9
375.20032	3.9
377.13550	5.5
391.18860	14.6
393.20627	6.2
401.17319	6.0
409.20023	7.6
419.18503	18.2
437.19565	19.0
539.26331	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	539.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48415	3.3
53.03965	4.8
55.01863	8.3
55.05492	3.9
55.16508	3.5
57.07076	64.0
61.81321	3.4
66.53608	3.2
67.05501	6.4
69.03411	5.6
69.19630	3.1
69.88099	9.4
69.88507	9.7
74.21912	2.9
78.12511	3.1
79.05492	15.9
81.03418	7.1
81.07041	8.0
89.25146	3.7
91.05479	20.5
93.07055	10.5
95.01328	100.0
95.04964	28.3
95.08608	9.3
98.20821	6.6
103.05467	10.7
105.07034	47.2
105.21520	2.9
107.04946	5.8
107.08573	8.5
109.06496	7.5
109.18677	3.5
115.05463	7.9
117.06992	10.4
119.08549	12.9
121.06515	11.8
121.10116	6.7
123.04467	4.2
128.06200	7.6
129.07018	8.5
131.04906	4.3
131.08540	12.9
133.06479	22.6
133.10081	4.1
135.08061	6.2
141.06906	4.3
142.07771	10.6
143.08536	18.5
145.02824	6.1
145.06462	9.5
145.10114	10.6
146.47206	3.8
147.04355	8.2
147.08035	8.9
153.07085	4.6
155.08533	14.1
156.09363	7.8
157.06502	5.1
157.10124	11.8
159.08054	11.5
159.11662	4.1
161.05972	65.9
161.09630	3.3
161.13210	3.9
163.07530	7.4
165.07005	8.9
167.08559	7.8
168.09377	6.2
169.06509	4.4
169.10144	13.2
170.10901	4.4
171.08020	16.4
171.11668	11.1
173.09654	9.0
173.13266	7.1
175.07562	12.8
177.09178	3.8
178.07726	3.3
179.08551	9.0
181.10109	10.4
182.10814	3.4
183.08009	6.6
183.11714	10.8
184.08769	3.5
185.09607	9.1
185.13286	4.5
187.07591	6.5
187.11160	6.5
189.09149	7.1
191.03436	7.3
192.09239	3.2
193.10217	7.4
194.10957	4.4
195.08142	7.0
195.11650	8.3
197.09630	7.5
199.11128	4.8
201.09145	7.0
205.04977	8.3
206.10794	3.7
207.11635	6.7
208.08713	4.5
209.09665	9.7
209.13193	5.4
211.11174	14.4
213.09070	4.6
213.12756	7.9
215.10713	4.9
217.12120	4.0
221.13289	7.7
225.12769	3.5
227.10715	8.0
229.12273	6.0
235.11186	5.2
237.12738	4.6
239.14308	7.0
249.12805	7.2
251.14339	5.8
259.11337	3.2
267.13666	7.9
269.15320	4.1
287.14053	3.6
295.13181	4.4
307.16696	4.8
313.14322	15.3
331.15515	4.7
333.18375	4.0
363.19281	4.3
373.17911	8.1
375.19958	5.4
391.18805	8.0
393.20560	12.5
401.17563	7.0
409.19989	5.7
419.18533	6.7
437.19611	74.9
539.26141	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	538.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.5
55.75265	1.9
57.07056	3.4
67.05480	9.6
69.07057	3.8
71.53632	2.6
71.54065	2.3
71.58057	2.1
78.41666	2.1
79.05492	2.6
81.07049	9.5
83.08601	2.8
85.06535	6.4
91.05441	4.4
93.07029	4.7
95.08595	6.7
105.07026	5.0
107.08591	7.8
109.10149	4.5
119.08575	4.5
123.11721	19.9
133.10132	2.6
135.11702	6.3
147.04390	8.7
147.11633	5.0
159.04387	2.3
163.03880	7.4
175.03918	22.0
177.05466	2.2
187.03929	3.7
188.01039	6.2
190.02544	2.5
193.04984	8.0
202.02522	2.5
203.03300	16.0
203.17946	6.2
215.03415	4.9
216.04028	2.7
217.05141	2.6
218.02080	30.1
222.90533	2.2
224.21461	2.2
230.02083	4.5
231.02881	100.0
231.06427	4.0
232.03282	3.4
233.04445	92.9
245.04529	3.0
256.55435	2.8
259.09671	6.2
273.07434	4.0
277.10825	9.9
299.09106	8.0
317.10153	23.0
379.05301	2.2
435.21411	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	538.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.6
55.05507	7.6
57.07072	4.8
64.88673	1.5
65.03935	3.3
67.05505	19.6
69.07081	9.9
69.73879	10.0
71.08641	2.9
79.05489	11.8
81.07055	20.1
82.97527	1.4
83.08609	2.9
85.06551	9.1
89.03880	2.0
90.31907	1.6
91.05479	10.8
93.07034	17.4
95.04964	4.3
95.08601	21.7
105.07027	14.1
107.08592	20.3
109.06498	2.8
109.10154	15.6
117.07017	3.4
119.04947	6.1
119.08545	11.0
121.10123	10.1
122.82376	1.6
123.11687	9.7
131.04974	1.6
131.08565	4.0
133.10146	10.1
134.34920	1.5
135.04436	1.4
135.08044	5.4
135.11705	10.1
137.06010	1.7
137.13254	1.7
142.85382	1.7
143.08569	1.7
145.10103	3.3
147.04385	20.7
147.11694	8.1
149.13228	8.7
150.87001	1.7
159.04419	2.2
159.11661	5.5
161.13232	3.7
163.03929	16.9
163.14871	2.6
171.11682	1.6
173.13242	4.6
175.03900	22.9
175.14738	1.8
177.01849	3.4
177.05450	8.3
179.03481	1.9
187.03914	3.1
188.01048	2.2
189.05356	2.4
189.16295	3.8
191.03423	6.3
192.04163	2.7
193.04958	29.6
199.07460	2.0
201.01912	3.0
202.02554	2.9
203.03368	16.1
203.17946	13.7
204.04173	1.9
205.04956	4.9
205.19562	4.5
207.02859	2.4
215.03404	7.1
215.07079	2.0
216.04160	6.5
216.07739	2.1
217.04977	4.1
217.08588	2.5
218.02107	32.4
219.06552	1.7
219.32065	1.5
229.04936	3.5
229.19508	7.1
230.02084	5.1
231.02876	77.4
231.06592	5.4
232.03438	3.0
233.04437	100.0
238.06300	1.8
245.04401	6.0
257.08038	3.4
257.19064	2.7
259.09628	19.1
277.10672	30.1
281.17621	1.9
282.17648	2.9
288.43539	1.8
291.08832	2.6
299.09177	6.7
314.27698	1.8
317.10181	22.3
329.10208	2.7
407.21970	2.9
419.21906	2.3
435.21692	37.7
490.13022	1.6
493.29608	2.6
503.27814	11.5
520.40491	4.5
538.32172	2.1
538.40472	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	538.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86739	0.5
53.03928	0.8
55.01873	4.7
55.05506	10.2
56.05028	1.6
57.03440	1.4
57.05815	0.8
58.99577	0.9
60.04529	0.7
65.04005	0.5
67.05499	1.6
68.05006	0.9
69.03429	4.4
69.07057	3.9
70.06587	9.5
71.04988	1.1
71.53121	0.8
72.08154	100.0
73.02924	1.2
73.08491	0.6
74.06078	1.2
79.05497	1.1
81.03424	3.1
81.07059	3.3
82.06551	1.3
83.04957	0.9
83.06091	5.1
84.04498	2.7
84.08151	8.6
85.02898	6.0
86.05573	0.9
86.06055	6.0
86.09705	19.5
87.00830	0.8
88.03989	1.6
91.05460	3.2
93.04530	2.3
93.07042	3.5
95.04971	1.8
95.06096	4.5
95.08606	1.6
97.02905	3.4
98.06085	0.7
99.04446	1.3
102.05601	0.8
105.03413	0.7
105.07052	3.3
107.04970	1.4
107.08603	2.0
108.08174	0.6
109.02876	2.4
109.06547	1.5
109.10122	1.5
110.07162	83.3
111.08109	0.7
113.46943	0.6
114.05528	14.1
115.96885	0.6
116.07092	1.9
119.04932	1.3
119.08624	0.6
120.08095	3.7
121.02861	1.2
121.10128	1.2
122.02679	0.8
123.11694	1.2
124.07590	0.8
125.09632	0.8
126.05531	0.8
127.03907	3.3
128.07066	0.9
129.10239	21.2
131.08580	1.0
132.01152	1.2
133.06509	0.7
133.10149	3.9
136.07593	2.0
137.05968	9.8
145.05008	1.1
146.05977	1.2
146.52237	0.6
147.04454	1.5
151.03928	0.9
151.11186	3.2
152.07066	0.7
153.06625	1.4
154.04988	2.4
156.07684	86.5
160.06161	0.8
160.07526	1.6
161.06001	0.8
162.05513	0.8
162.09132	0.8
164.07053	1.1
165.07185	0.7
166.06201	1.8
167.06985	0.9
170.08160	1.1
171.07669	5.4
175.03918	0.8
179.07016	8.5
180.06601	0.8
197.08080	5.4
207.06554	2.1
213.12363	1.4
224.13908	1.0
242.15013	10.7
244.14403	0.7
251.15079	2.7
254.12143	2.9
259.11856	0.9
269.16083	23.2
270.14453	29.9
271.14908	0.7
272.13287	2.7
352.14532	1.4
355.23288	0.9
364.15457	0.9
368.22940	1.0
376.13718	1.5
383.22855	4.7
425.25089	2.4
503.16968	0.8
520.28760	1.9
538.21747	2.7
538.29913	38.5
539.17175	1.0
539.24274	1.9
539.31110	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01876	1.2
55.02361	0.8
55.05500	1.3
57.03432	1.0
58.40948	0.9
60.04528	1.2
65.03932	2.0
67.05496	4.4
69.03417	3.9
69.07056	2.5
69.56975	1.1
70.06594	9.4
70.19663	0.8
71.53642	1.4
72.08150	1.4
74.88222	0.9
79.05503	6.3
80.05045	1.3
81.03423	5.8
81.07057	5.4
82.06570	3.0
83.04967	1.9
83.10315	0.9
84.04488	2.9
84.08149	2.0
85.02901	5.6
85.06507	1.2
86.09711	2.3
87.00825	1.1
89.03902	1.0
91.05465	6.1
92.04997	1.0
93.05762	1.4
93.07050	11.9
94.06568	13.9
95.04967	4.0
95.07351	9.3
95.08610	4.4
95.25493	0.9
96.08129	21.7
97.02884	3.1
97.06552	4.3
99.04445	2.9
103.05453	3.1
103.33829	0.8
105.01885	1.0
105.03390	1.3
105.07028	4.2
106.06552	1.7
107.04922	1.4
107.07324	0.8
107.08598	2.5
108.08109	17.8
109.02868	4.3
109.06535	1.5
109.08898	1.1
109.10149	2.6
110.07153	1.1
110.09684	36.3
111.29253	0.9
112.07581	2.9
113.05923	0.9
116.04986	3.6
118.06572	1.3
119.04943	1.5
119.08588	2.6
120.04504	5.7
120.08108	26.2
120.08947	1.9
121.02858	1.2
121.06461	1.5
121.10146	2.7
122.06035	5.6
123.08080	1.3
123.11694	1.0
124.07597	8.1
125.05941	1.0
126.05479	2.3
127.03947	4.6
129.07062	1.1
131.08549	1.2
132.08099	1.4
133.06435	1.7
133.10114	1.5
134.06003	2.9
135.04401	1.1
135.11745	2.0
135.84384	0.9
136.07576	10.9
137.05968	1.5
138.05524	6.3
138.09145	55.1
140.07005	1.1
144.04477	7.0
145.04985	1.6
145.10094	2.0
146.06026	5.0
147.04410	2.3
147.11655	1.3
148.03862	1.1
148.07556	7.8
150.05489	2.6
151.03935	1.2
152.07069	1.2
157.10147	1.2
159.11699	1.6
160.03964	2.0
162.05508	5.3
163.11166	1.9
164.07085	2.1
166.05006	5.8
166.08641	100.0
167.03419	1.4
168.03764	1.4
172.03934	38.5
172.07410	1.4
173.09543	1.4
174.05460	1.1
175.03885	1.5
177.12735	0.9
178.04935	1.9
180.06590	1.2
181.05051	1.2
187.11191	1.6
190.04985	18.5
191.05576	1.2
195.09187	2.1
197.10762	1.7
202.08711	1.4
204.06563	12.5
207.06511	4.7
208.06969	1.5
209.10780	3.4
210.11386	1.2
211.08737	1.9
212.09416	3.3
213.10231	1.9
216.06442	1.4
222.07831	1.0
222.11432	2.0
223.08688	2.0
224.09396	4.6
225.10193	6.3
226.10910	1.1
227.11781	3.5
235.08626	2.7
236.09457	3.8
237.10237	19.4
238.11026	3.5
239.08131	3.5
239.11760	4.7
241.09708	3.8
247.08682	1.1
247.14496	1.0
248.09383	0.9
249.10243	3.1
250.07277	2.3
250.10976	1.5
251.08160	3.1
251.11806	10.5
252.08948	2.8
252.12599	1.8
253.09764	10.3
253.12497	1.0
253.13419	1.1
255.11331	2.4
257.06830	1.2
263.11856	3.4
264.08884	1.9
265.09729	26.9
266.10486	3.5
267.11285	2.9
268.08350	1.1
269.12793	1.4
271.10742	3.4
271.13278	1.3
272.12854	5.4
272.23148	1.0
273.12439	6.0
273.14853	1.2
277.09674	1.3
278.06570	9.4
279.11261	11.0
280.08490	3.3
280.11798	1.5
281.09241	3.2
281.12781	2.5
283.10779	6.5
285.12259	3.7
289.09601	1.5
290.08768	1.9
290.13834	1.7
292.08270	1.9
293.09219	29.0
294.09918	4.6
295.10715	2.6
296.11551	1.4
297.12253	6.8
299.10245	1.9
300.10938	1.8
305.24698	1.0
307.10867	4.5
309.12195	4.6
311.10318	5.1
312.11063	4.8
313.11874	7.0
325.11844	21.0
335.10312	9.0
340.10843	2.3
341.11328	30.0
343.12830	2.6
344.13922	1.7
353.11292	29.2
357.14420	3.6
373.13980	8.7
385.13940	7.5
401.88278	0.8
437.19394	1.6
460.18900	5.8
465.18857	8.1
478.19769	10.5
488.18231	14.8
494.31024	2.4
506.19244	59.5
507.19235	1.2
520.20319	1.2
538.21399	2.9
538.33575	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	538.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86034	0.6
50.95036	0.6
52.65631	0.6
53.03965	0.8
55.01860	0.6
55.05487	0.8
65.03931	1.0
67.05494	1.7
69.03437	1.2
69.07069	1.2
70.06592	1.0
71.05001	0.8
75.37885	0.7
77.03936	0.7
78.79569	0.7
79.05488	3.1
80.04993	1.4
81.03410	1.3
81.05805	0.8
81.07059	1.2
82.06573	2.3
85.02882	1.4
86.09669	0.8
89.03934	1.5
91.05489	3.4
93.05776	1.0
93.07049	8.6
94.06033	1.0
94.06569	12.0
95.04974	1.9
95.07355	10.1
95.08607	1.7
96.08129	21.8
97.06519	2.6
103.05465	1.8
105.07018	1.1
106.06543	1.5
107.08574	1.1
108.08117	13.7
109.02841	1.0
109.08878	1.7
109.10086	0.7
110.09679	36.6
116.04980	4.4
118.06558	1.3
120.04475	6.2
120.08103	24.2
121.06552	0.7
122.06041	5.8
124.07592	7.1
127.03850	1.1
132.08058	1.0
133.10135	1.1
134.06006	1.9
136.07570	12.9
138.05515	6.2
138.09135	55.5
144.04437	9.0
145.10120	0.8
146.06001	4.8
147.04424	0.7
148.03883	1.5
148.07571	8.5
149.20642	0.6
150.05495	2.1
150.09111	1.3
152.07143	1.8
160.03938	2.7
162.05493	4.4
164.07083	2.0
166.05019	6.6
166.08636	100.0
167.08957	1.4
172.03938	38.9
174.05519	1.9
176.07184	0.6
178.05022	1.7
180.06476	0.6
188.07040	0.8
190.04982	17.2
192.06572	1.6
195.09157	1.0
196.09811	1.0
197.10701	2.2
198.11552	1.0
199.12257	0.9
204.04713	1.2
204.06555	16.8
207.06517	0.7
207.09140	1.0
208.06329	0.6
209.10753	2.9
211.08626	1.2
211.12340	1.1
212.09462	3.5
213.10182	3.0
216.06598	1.3
218.04552	1.0
221.10715	0.9
222.07779	1.7
222.11522	1.7
223.08650	2.0
223.12192	0.9
224.09419	5.4
225.10211	6.0
226.11000	1.9
227.11761	3.0
233.10347	0.7
235.08662	2.0
235.12350	1.0
236.09399	3.4
237.10208	17.0
237.13858	0.8
237.18542	1.4
238.10846	3.4
239.08150	3.1
239.11821	4.0
240.08847	1.3
241.09660	4.2
245.12889	2.0
247.14482	1.9
249.10234	2.9
250.07265	2.1
250.10962	0.8
251.08142	3.0
251.11774	11.2
252.08902	2.5
252.12531	1.8
253.09726	7.8
253.13310	1.3
255.11298	2.8
260.05521	1.1
261.10165	0.9
263.11807	2.2
264.08969	2.4
265.09705	24.8
266.10626	3.7
267.11279	5.0
268.08405	1.7
269.12711	1.5
271.10843	4.1
271.13443	0.7
273.12396	7.1
278.06598	10.4
278.09607	1.2
279.11246	13.8
279.14044	1.2
280.08408	2.7
280.11865	1.2
281.06427	0.8
281.09384	2.0
281.12811	2.8
283.10715	7.8
285.12250	2.6
289.09625	1.3
291.11188	0.8
292.08212	1.6
293.09183	26.4
294.09958	5.5
295.10693	1.7
296.11621	1.3
297.12350	10.3
299.10294	4.0
299.13663	1.0
300.11008	2.8
307.10852	4.6
309.12335	4.7
311.10217	5.0
312.10938	5.5
313.11816	7.4
323.10144	1.3
325.11804	23.6
327.13171	0.7
335.10236	11.1
340.10574	4.8
341.11325	34.0
343.12854	2.3
347.16266	0.7
353.11331	24.5
357.14435	2.9
367.12946	1.1
373.13867	5.3
385.13901	5.9
406.17715	0.9
418.17667	1.0
432.19186	1.8
436.19147	0.8
437.19492	2.0
438.20502	1.1
444.19272	0.6
460.18857	7.0
462.20380	1.6
465.12836	1.3
465.18979	12.1
478.19653	10.0
488.18176	15.9
492.21335	0.8
506.19229	70.2
507.19363	1.7
520.20465	1.0
538.21545	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	538.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.9
54.44576	0.9
55.05505	1.2
57.03426	1.3
64.65468	0.9
67.05510	1.7
69.03434	5.1
70.06597	9.0
71.04995	1.1
71.52026	1.3
72.08164	3.3
74.06093	1.2
79.05518	1.8
81.03425	3.7
81.07059	3.2
84.04508	2.8
84.08138	1.8
85.02898	5.0
86.06079	1.0
86.09708	2.8
89.68115	0.9
90.69872	1.0
91.05476	12.7
93.07050	2.1
93.82539	0.9
95.04946	1.8
97.02882	1.6
99.04427	1.0
102.05629	0.9
105.03380	1.5
105.07033	2.3
107.08584	1.6
109.02883	3.1
110.07159	2.6
119.04943	21.6
120.08078	1.5
121.02856	1.7
127.03928	3.3
128.07091	3.1
129.10283	1.0
131.05022	0.8
133.10168	1.2
135.04381	1.0
135.13922	0.9
136.07587	2.9
137.05931	2.2
146.06152	0.9
147.04419	18.7
149.02330	1.0
149.09665	1.1
154.05000	2.7
157.03967	1.8
163.11244	1.2
167.07082	1.5
167.10669	1.6
170.05589	4.7
175.03915	35.5
177.05473	1.1
179.07095	2.6
188.03676	1.2
192.06262	1.0
202.08733	1.4
207.06537	100.0
220.11723	1.2
227.16469	1.8
272.13388	1.0
315.07050	1.4
351.10953	1.1
369.11752	4.0
528.92041	1.1
538.21326	1.9
538.29126	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	538.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33667	0.7
51.89547	0.6
53.03925	2.6
55.01862	1.3
55.05490	2.7
57.03430	1.1
60.04541	0.8
61.02918	0.8
65.03931	4.0
67.05498	3.2
69.03423	3.5
69.07047	0.9
70.06590	10.5
70.34010	1.3
70.34378	1.4
71.04972	1.2
72.08154	1.8
73.02912	0.8
74.06057	0.9
77.03900	1.1
79.05494	8.5
80.04997	1.0
81.03421	7.6
81.05777	2.1
81.07039	2.5
82.06575	0.9
83.04970	2.3
84.04485	2.5
84.08125	3.1
85.02908	5.3
86.09713	4.8
91.05482	18.1
92.05000	6.8
93.07036	1.9
94.06558	1.2
95.04955	4.5
95.08588	1.9
96.08132	7.3
97.02882	2.5
97.06488	0.9
99.04455	1.4
103.05424	0.8
105.03392	12.5
105.04547	1.2
105.07015	2.1
106.03722	3.9
106.06551	47.7
107.04945	2.2
107.08614	1.9
108.08118	9.7
109.02871	3.3
109.05269	1.3
109.06502	1.2
110.05995	1.0
110.07154	2.3
119.04940	30.7
119.08561	1.8
120.08109	2.6
121.02866	1.7
121.06440	0.8
121.08418	0.7
122.06030	1.7
123.06792	7.7
124.07588	32.1
126.05513	1.6
127.03953	3.3
128.07056	0.9
129.03349	0.7
131.08604	0.8
133.02811	1.5
133.10126	1.1
134.06010	31.4
135.04480	1.2
135.11693	1.3
136.05060	0.8
136.07590	4.7
138.05511	0.7
145.04947	1.4
147.04411	25.4
148.07545	0.9
151.03925	0.9
152.07062	76.4
153.07549	0.9
157.03955	1.8
167.07031	1.2
170.08122	58.0
175.03906	51.1
176.04306	1.4
177.05452	1.1
178.05013	1.4
179.06996	1.8
181.04883	1.0
186.05482	1.6
189.01624	0.9
192.04137	0.7
193.05014	0.9
195.02856	1.1
196.03171	1.0
196.16972	1.5
201.01923	0.7
202.02097	0.9
204.06583	1.6
206.04498	2.0
206.08105	1.1
207.06528	100.0
208.03224	0.9
208.06837	1.7
214.05708	0.9
219.06509	0.9
219.61038	0.7
225.07405	0.8
231.02786	1.5
232.03242	0.8
235.11816	1.6
236.12241	1.7
237.07854	0.8
244.06296	0.7
252.10043	0.9
254.17577	1.0
262.04361	1.0
267.06445	1.1
267.09082	0.8
268.06894	0.9
269.04800	0.7
272.18524	1.0
280.06854	1.2
280.09726	2.6
286.07822	0.8
290.13989	0.9
294.07907	1.0
298.07977	0.9
308.09247	1.3
309.07300	0.8
310.07800	2.3
312.12308	2.6
314.12317	2.4
321.07556	1.1
322.07867	2.5
322.20016	1.3
332.13422	12.7
334.08051	1.5
340.11850	2.2
340.21005	1.6
346.07736	1.1
351.10672	3.2
352.09116	1.6
358.12698	2.0
358.22031	2.0
364.09064	1.7
369.11868	4.4
376.08875	3.4
376.13239	1.2
382.09998	1.0
388.10941	2.1
406.09973	3.1
418.09912	1.6
424.11215	1.5
436.11127	1.0
438.14795	0.7
442.11789	1.0
446.24841	1.4
454.12048	3.6
460.16217	0.8
478.16534	1.0
502.17117	0.7
520.18121	25.4
521.17883	0.9
538.19086	45.2
538.28973	15.5
539.19318	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
56.05034	7.4
58.15047	0.5
66.33201	0.5
67.05505	2.6
69.07069	1.0
69.52850	4.0
72.65775	0.5
73.68918	0.5
79.05487	2.2
81.07065	3.3
83.08629	0.7
84.04505	100.0
85.02893	3.0
85.04850	1.1
86.06060	2.2
91.05495	1.7
93.07054	3.9
93.96259	0.5
95.08630	1.9
97.06551	0.6
98.20776	1.2
102.05543	83.5
104.07120	1.6
105.07021	1.8
107.08606	2.1
108.82309	0.6
109.10165	1.7
119.08604	1.3
121.10141	2.0
123.08038	0.7
123.11742	0.6
125.09644	0.7
130.04999	16.8
130.05968	0.9
131.08583	1.0
133.10144	0.7
143.08549	0.7
145.10146	1.7
147.11670	0.5
148.06047	34.8
149.13206	1.0
159.11690	0.6
159.81129	0.7
161.13229	1.1
167.05551	0.7
173.13345	1.0
241.08241	1.9
259.09210	1.9
261.22223	3.9
273.18277	0.6
274.57132	0.5
302.24637	0.8
309.21951	0.8
316.26340	1.8
320.11081	0.6
327.23257	5.2
344.25827	2.0
362.26880	2.6
374.39935	0.6
390.26282	7.6
537.35724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.5
53.03949	15.6
55.01875	12.8
55.05517	13.6
57.03433	12.4
57.07063	3.4
61.02933	10.3
65.03946	4.3
67.05505	33.8
68.99786	5.6
69.03432	70.8
69.07066	38.0
70.06577	9.5
71.01341	4.0
71.04990	13.2
71.53210	3.2
72.08129	2.5
73.02904	9.1
75.87941	2.1
79.05490	20.9
81.03423	64.8
81.06593	4.5
81.07057	80.6
83.01318	2.6
83.04968	8.0
83.08604	11.0
84.04486	6.0
84.08144	3.4
85.02907	100.0
85.06544	12.5
86.09707	7.2
87.00836	34.0
87.04453	3.6
91.03912	2.6
91.05476	27.8
93.03376	2.5
93.06489	3.1
93.07045	50.7
95.04990	18.3
95.08607	56.6
97.02888	39.9
97.06526	9.9
97.10165	4.0
99.04447	27.2
99.08072	4.0
103.03905	5.1
105.01866	27.0
105.03390	5.4
105.07034	44.2
107.04956	7.0
107.08595	50.5
108.08087	2.7
109.02881	58.9
109.06501	8.5
109.09468	3.5
109.10159	40.4
111.04426	6.3
111.08065	6.6
111.11727	4.7
115.03915	4.5
115.05489	2.4
115.07597	2.0
117.01850	6.9
117.07037	9.9
119.04952	6.8
119.08580	37.6
120.08112	3.2
121.02841	2.8
121.06494	9.1
121.10154	43.2
123.04465	4.2
123.08057	8.1
123.11710	47.4
125.05959	3.0
125.09619	4.6
127.03917	83.1
128.04253	3.1
129.01802	4.7
129.06961	6.7
130.07787	2.2
131.08589	15.1
133.02812	4.9
133.06451	3.6
133.10120	24.1
135.04379	3.4
135.08038	4.8
135.11687	42.3
136.07628	2.4
137.05966	8.3
137.09642	6.2
137.13246	10.6
139.11133	5.6
141.01813	2.1
141.09114	2.6
143.08549	8.8
144.09305	2.2
145.04944	26.7
145.06490	3.9
145.10136	20.5
147.02892	6.9
147.04337	9.9
147.07979	2.2
147.11674	24.1
149.02327	27.4
149.06018	3.5
149.09586	4.3
149.13275	23.7
151.03906	13.2
151.07549	3.7
151.11186	20.1
151.14778	2.6
153.05449	2.7
153.12743	4.7
155.08571	4.2
157.10117	5.5
159.02902	24.9
159.08047	6.7
159.11700	21.7
161.05966	3.0
161.09656	4.9
161.13263	12.4
163.03928	6.3
163.07562	2.7
163.11067	4.4
163.14830	7.2
165.09029	2.3
165.12723	13.9
167.01996	3.5
167.03407	71.9
167.07036	4.3
167.10599	2.2
168.03746	2.9
169.10094	4.2
171.02872	2.2
171.08061	3.4
171.11694	7.3
173.09605	4.3
173.13301	12.5
175.03900	10.1
175.07607	3.9
175.11250	4.7
175.14841	14.6
175.92885	2.0
177.05493	2.7
177.09071	3.3
177.12772	6.1
177.16403	5.4
179.14311	1.9
181.10129	3.9
183.11636	2.4
183.85706	2.0
185.13187	3.9
187.11125	3.7
187.14806	6.1
189.03931	3.1
189.05482	5.1
189.12729	5.1
189.16412	8.9
191.06947	3.1
191.14178	3.2
193.12338	2.2
193.15950	5.1
193.35503	2.3
197.13190	2.4
199.14737	3.2
201.03896	2.5
201.09079	2.4
201.12651	2.8
201.16386	6.7
203.10571	2.3
203.14314	2.6
203.17992	6.2
205.12277	2.2
207.06541	13.4
213.03952	8.3
213.12758	3.7
213.16486	3.5
215.14325	4.9
215.17946	8.7
217.15897	2.6
217.19618	4.5
225.12721	2.6
227.14404	2.6
227.17986	2.4
229.19453	4.1
231.04913	12.3
243.13562	2.8
243.21033	2.7
245.22652	7.0
253.18015	2.4
253.21651	3.2
254.18372	2.4
255.10211	2.1
255.13879	3.0
269.22610	4.3
271.06049	9.7
271.13284	45.4
271.24503	18.2
272.13684	4.4
273.14597	4.4
287.23703	4.4
289.14389	15.8
289.25244	18.9
300.05972	2.5
301.25085	2.6
331.26416	3.6
379.26123	4.6
397.27127	4.5
415.28262	3.7
501.28476	4.6
519.18628	2.5
519.29742	9.9
537.30737	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	14.5
55.01873	15.8
55.05507	19.1
56.37907	2.2
57.03424	9.1
57.07060	6.4
59.04979	2.9
61.02922	8.7
65.03925	4.2
67.05501	33.4
68.99777	8.5
69.03429	71.1
69.07064	35.3
69.56753	6.7
69.57162	9.8
70.06585	12.1
71.04977	15.4
72.08138	4.6
73.02903	8.6
77.03924	2.8
79.05494	31.6
81.02942	2.8
81.03420	73.8
81.07053	88.3
82.07397	2.9
83.04975	14.0
83.08608	13.2
84.04489	5.7
84.08112	5.6
85.02901	99.7
85.06538	11.3
86.09685	6.8
87.00824	40.9
87.04472	4.1
91.05474	35.7
93.07043	58.8
95.04965	20.8
95.08602	62.6
95.14362	2.4
97.02895	39.7
97.06517	10.9
97.10181	5.0
98.21450	4.3
99.04458	30.3
99.08086	4.3
101.05964	4.8
103.03959	4.8
105.01860	26.7
105.03374	10.0
105.07031	53.5
107.04948	6.8
107.08588	61.0
109.02878	57.9
109.06517	12.8
109.10154	49.6
111.03269	2.3
111.04434	8.5
111.08076	11.1
111.11728	5.3
112.07510	2.6
112.46311	2.3
115.03902	7.7
117.01825	2.8
117.06977	8.9
119.04908	8.2
119.08576	35.2
120.08059	3.3
121.02834	5.9
121.06483	8.0
121.10139	46.2
123.04440	4.7
123.08060	8.1
123.11700	53.2
125.06009	2.9
125.09616	5.8
127.03913	100.0
128.06155	3.1
129.01843	7.7
129.05505	2.8
129.06963	7.6
129.10225	2.9
131.08565	16.5
133.02843	5.0
133.06439	5.2
133.10126	28.1
134.05965	2.9
135.04407	5.5
135.08032	9.2
135.11694	39.7
137.05971	7.6
137.09589	7.1
137.13232	8.8
139.11157	8.1
141.06866	2.5
143.08569	7.9
145.03926	3.0
145.04974	27.5
145.06120	4.4
145.10117	26.2
147.02875	5.6
147.04393	10.4
147.08023	5.8
147.11682	28.1
149.02322	22.8
149.05945	4.3
149.09612	6.3
149.13264	22.5
151.03867	13.1
151.11186	31.3
153.12726	4.0
155.08533	4.6
157.06364	3.5
157.10118	11.1
159.02902	28.3
159.07982	5.5
159.11711	22.6
161.05914	4.5
161.09599	7.6
161.13237	16.2
162.05531	3.3
163.03902	10.6
163.07498	4.9
163.11140	7.3
163.14827	11.2
165.12741	21.1
167.03401	60.9
167.07091	5.4
167.08450	2.8
168.03714	4.1
169.10114	4.9
171.08032	3.1
171.11707	7.0
173.13261	10.6
175.03880	9.0
175.07494	2.9
175.11179	5.3
175.14850	11.4
176.07021	3.3
177.05424	3.2
177.12746	6.5
177.16414	5.1
179.06984	4.6
179.08485	3.3
180.13361	2.4
181.04900	2.9
183.11638	3.8
185.09686	3.0
185.13223	6.8
187.14810	8.9
189.03938	4.5
189.05464	5.5
189.09087	3.8
189.12715	4.4
189.16341	8.9
191.17972	3.8
193.15927	3.8
197.13269	5.0
199.14871	4.8
201.16377	6.8
203.07121	2.7
203.14392	3.4
203.17987	7.3
207.06525	19.1
213.03914	11.7
213.12662	3.4
213.16400	3.9
215.14343	2.9
215.17969	8.0
217.19514	6.9
227.17871	3.7
231.04944	15.3
235.17027	2.5
245.22652	7.9
249.18611	4.3
253.18121	4.1
253.21414	3.7
254.18282	4.9
269.22690	3.3
269.30399	2.4
271.05936	9.1
271.13275	51.7
271.16217	1.9
271.24347	27.4
272.13556	3.4
273.14868	4.8
287.23532	3.7
289.08682	3.0
289.14362	13.7
289.25296	20.7
299.06085	3.3
313.25131	3.1
390.87521	2.5
397.27292	5.7
415.28604	2.8
439.69009	2.6
501.28632	9.4
519.29529	5.1
537.21246	4.2
537.30237	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	537.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
53.71336	1.5
55.01870	4.9
55.05509	16.2
57.07075	7.2
61.02921	4.8
65.03936	3.4
67.05177	2.8
67.05508	40.5
68.99796	6.3
69.03432	17.0
69.07069	36.8
69.21431	10.6
69.21857	6.0
71.04999	4.2
71.08615	1.8
74.89095	1.6
79.05493	17.8
81.03421	27.7
81.07056	94.8
82.07368	2.0
83.04976	6.3
83.08624	13.4
85.02905	17.0
85.06552	5.0
87.00838	5.8
88.43291	1.7
91.05479	15.1
93.07043	33.5
95.04964	17.1
95.08606	100.0
96.09001	2.1
97.02879	9.0
97.06537	8.1
97.10177	8.8
99.04467	5.6
105.01895	1.7
105.03406	1.7
105.07036	26.0
107.04961	3.4
107.08591	37.1
109.02887	20.4
109.06506	5.6
109.10157	66.5
111.04453	6.0
111.08086	2.6
111.11725	5.8
115.05458	1.9
117.07031	5.7
119.08588	25.5
121.06512	7.2
121.10149	31.8
123.04424	5.2
123.08092	5.6
123.11697	37.6
127.03916	18.4
128.06224	1.9
129.01826	8.2
129.07001	2.9
131.08545	10.3
132.08171	1.6
133.06551	2.3
133.10130	17.0
135.08015	3.8
135.11694	21.0
137.05946	4.2
137.09662	2.0
137.13249	25.4
143.08589	5.2
145.06517	3.5
145.10156	11.6
147.02904	6.3
147.08092	2.7
147.11682	11.0
149.13239	12.7
151.11217	3.7
151.14812	3.0
155.08554	3.5
157.10078	9.0
159.08101	6.1
159.11670	13.6
161.09593	1.8
161.13210	9.9
163.11241	2.6
163.14824	6.3
165.09074	2.7
169.10135	6.1
171.08023	2.9
171.11754	3.4
173.09683	3.9
173.13284	7.2
175.11255	2.2
175.14822	3.7
177.16399	5.6
179.14304	2.3
179.17880	2.2
183.11705	3.4
185.13295	1.9
187.14857	4.2
189.12708	2.3
189.16397	3.8
191.14253	1.8
191.17900	2.8
199.14894	1.9
201.12619	2.0
201.16359	2.3
203.17989	2.2
205.19508	2.3
207.17538	2.3
209.13217	2.5
211.14902	2.9
213.04036	2.3
213.12936	1.9
215.14360	1.9
221.18965	1.6
259.24152	2.3
271.24219	4.5
287.23715	4.4
289.25266	29.2
290.08267	3.5
313.25266	2.1
320.26584	2.0
351.26859	2.8
355.26456	2.1
369.27948	6.7
373.27295	2.8
379.26306	12.8
397.27393	25.8
415.28323	8.7
433.29446	6.7
475.30579	2.3
483.27246	2.3
501.28384	6.4
519.29742	10.5
537.20154	7.9
537.30493	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	537.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.2
55.01864	2.5
57.03419	2.2
61.02892	0.9
65.03914	0.9
67.05491	1.6
68.99783	1.8
69.03410	3.3
69.07066	2.0
69.33867	7.2
70.06590	6.4
71.04971	1.3
72.08140	1.9
79.05511	1.8
81.03426	5.9
81.07056	1.8
83.04969	1.2
83.06077	0.9
84.04478	2.8
84.08128	2.2
85.02905	8.7
85.06570	1.0
86.09702	17.7
91.05466	3.2
93.03395	2.6
93.07031	2.1
95.01302	1.4
95.04967	8.8
97.02869	2.9
99.04461	1.4
102.05546	1.6
103.03944	2.3
103.05435	1.3
105.03387	100.0
105.07019	1.7
106.06531	1.7
107.04968	4.4
107.08561	1.9
108.08100	0.9
109.02876	6.8
109.10184	1.1
110.07204	3.9
111.04435	1.3
115.05407	2.0
115.07566	0.9
119.04929	3.8
119.08622	1.0
120.08085	1.8
121.02864	8.9
121.10156	1.1
123.04417	2.1
124.07587	1.1
124.43482	0.8
127.03885	3.5
129.03413	1.2
131.04982	1.9
133.02806	0.8
133.06442	1.9
134.05968	1.3
135.04376	3.8
136.07568	3.6
137.06027	1.3
143.04895	1.0
145.02963	1.2
145.06497	1.6
147.04427	6.5
149.02315	1.3
149.05930	1.1
149.09792	0.9
151.03879	1.5
152.07037	3.7
153.05717	0.9
157.09894	0.9
159.04361	2.6
160.07571	1.0
161.02356	1.8
161.05946	1.5
163.03905	1.3
165.01819	2.4
165.05429	1.1
167.07018	1.4
169.06451	0.8
170.08102	2.8
171.04305	1.2
173.02316	1.2
173.05945	3.0
175.03911	6.7
177.01862	4.9
182.08078	1.6
183.02853	1.1
183.04381	1.0
185.06013	1.0
187.03865	3.0
189.01802	7.8
191.03374	2.7
193.01308	1.3
193.04907	1.8
195.02881	11.1
199.17992	3.5
201.01807	5.2
201.05428	3.4
203.03400	3.6
205.01442	0.9
205.04889	1.0
207.02902	7.5
207.06572	5.2
213.05406	2.0
215.03416	6.5
217.04926	1.8
219.02887	8.8
221.00807	3.5
221.04402	2.1
223.02283	0.9
225.05443	1.3
227.03380	2.4
227.17522	3.3
229.04921	3.4
231.02849	9.3
233.04434	3.1
235.11940	3.4
237.05501	2.3
239.03305	1.7
241.04918	1.5
241.92967	0.9
243.02867	8.1
243.06496	2.7
243.13380	1.5
245.04356	2.6
247.06055	1.0
247.10867	1.0
249.03871	3.9
251.06818	1.2
253.04855	2.9
255.02875	3.4
255.06578	9.5
257.04367	3.2
261.03949	6.6
267.03183	1.4
267.06473	10.6
269.04419	3.3
271.13156	1.1
273.03937	5.2
279.06482	7.4
281.04446	4.8
281.08017	2.3
283.06003	3.5
285.03900	2.9
285.07568	4.0
287.05151	1.6
293.08008	3.6
293.11298	4.8
295.06000	1.0
297.03891	3.7
297.07520	5.1
297.81525	0.8
299.05490	1.6
305.07990	1.1
309.03827	2.6
309.07480	16.4
311.05402	0.9
315.04910	1.6
317.07910	1.8
321.07565	22.4
327.05002	1.7
333.07529	7.4
335.09082	1.7
337.07318	0.9
339.04865	1.2
339.08585	12.0
345.07669	5.1
347.09268	1.1
351.04312	1.3
351.08627	19.7
359.09033	3.0
363.08578	21.8
367.07910	1.2
369.09760	5.7
375.08612	19.7
381.09656	9.1
385.08963	3.1
387.09793	11.5
393.09772	1.9
399.10513	5.5
405.04303	1.2
405.09647	18.0
417.09549	8.7
423.10751	9.6
429.09589	2.6
435.10779	7.2
441.11899	8.3
445.23941	1.1
447.10620	4.3
453.11758	19.5
465.11819	6.9
471.12775	1.0
483.12772	5.1
501.14130	3.9
519.27844	1.0
520.17792	1.6
537.21851	1.2
537.29175	10.2
538.18829	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	536.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01863	2.8
55.05501	4.0
57.03439	2.3
59.04999	2.7
60.04527	3.3
61.02908	3.9
62.12602	1.3
67.05532	7.0
69.03430	14.2
69.07066	7.4
70.06587	15.2
70.14131	6.5
71.04980	4.9
72.08134	3.2
79.05475	6.5
79.56300	1.4
81.03413	8.9
81.07048	12.4
83.04982	10.8
84.04465	2.6
84.08141	51.1
85.02906	19.4
85.06527	2.1
86.06030	1.6
86.09709	20.1
87.00823	4.9
87.04449	5.6
91.05479	14.7
93.07047	19.7
94.01353	1.3
95.04970	12.2
95.08598	8.4
97.02879	5.5
97.06522	4.6
99.04445	3.7
99.08117	2.2
101.10775	1.3
103.05445	3.6
105.01859	6.0
105.03355	2.3
105.07031	17.6
107.08592	22.5
109.02853	6.5
109.06512	2.8
109.10156	11.2
111.08071	2.1
113.06035	10.7
115.03919	2.2
116.07070	3.4
117.06978	2.6
119.02623	1.3
119.04972	2.4
119.08586	10.5
120.08106	100.0
121.02841	1.8
121.10149	12.3
123.08018	1.9
123.11720	3.7
125.09616	3.2
127.03939	11.8
127.07550	2.8
128.07079	1.7
128.10715	5.9
128.36366	1.4
129.10236	41.1
130.08647	8.6
131.07076	10.1
131.08548	4.8
133.04984	2.1
133.10110	7.5
135.04480	1.9
135.08032	1.7
135.11702	2.7
137.06027	1.6
137.24350	1.4
140.07043	2.3
140.54291	1.4
142.07767	2.1
143.10600	1.8
145.04913	4.1
145.10124	5.1
147.04364	3.2
147.11626	15.5
149.09642	5.4
149.13271	11.8
151.11127	2.0
153.09094	2.6
153.52138	1.5
157.10132	2.7
159.11696	4.7
161.09557	1.8
161.13249	1.7
162.09129	3.0
167.06940	2.4
168.06570	5.9
171.10101	1.9
173.13332	1.8
175.03886	2.9
175.14810	3.7
177.12790	2.2
183.13748	2.8
187.14822	2.6
188.07080	1.8
189.16347	2.9
199.14825	4.7
205.15929	1.9
207.06424	7.7
207.13828	2.6
213.12300	2.0
216.13434	3.0
217.09578	1.9
217.15767	8.6
225.14819	5.2
231.05011	2.6
234.14450	12.2
235.16896	11.6
249.06203	2.7
253.17992	4.5
271.06256	1.9
271.13071	1.9
276.16980	5.9
303.17014	6.0
315.43298	1.6
320.00809	1.5
381.21423	7.1
518.29407	2.1
535.31189	1.5
536.22888	2.3
536.30896	34.7
540.42383	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	0.5
65.03906	0.4
67.05453	1.3
69.03397	0.8
69.07023	0.6
70.06551	0.7
70.97734	0.3
70.98081	0.9
71.04963	0.5
71.08432	0.4
79.05447	1.4
81.03368	1.4
81.07059	1.9
83.04954	0.6
83.08598	0.6
85.02878	1.0
86.09694	0.5
91.05424	1.3
93.07002	1.3
94.06546	0.6
95.04899	0.6
95.08558	1.4
97.02840	0.4
97.06483	0.5
105.06983	1.4
106.06525	0.7
106.07287	0.4
107.07333	3.2
107.08543	1.1
108.08068	1.5
109.02779	0.5
109.06410	0.5
109.10113	1.5
111.08036	0.4
119.08530	1.3
120.04471	4.0
120.08063	1.4
121.02882	0.5
121.06555	0.4
121.08835	0.8
121.10088	1.2
122.05964	0.7
122.08887	0.4
122.09663	5.8
123.11658	0.5
127.03859	1.1
131.08533	0.9
133.10063	0.7
135.06732	0.7
135.11642	0.5
136.07545	0.8
136.11159	1.4
137.05907	0.4
137.09528	0.4
144.04398	0.4
145.10068	0.9
146.05949	0.9
146.10326	0.4
147.11592	0.5
148.07516	0.5
150.09132	21.6
152.07025	1.7
157.09979	0.5
159.11638	0.4
164.07123	0.5
164.10680	0.5
165.11409	0.7
166.08589	0.4
167.05557	0.4
176.10614	0.6
185.13152	0.4
188.07060	0.5
193.02237	0.4
194.08073	1.7
197.10725	0.9
203.11803	0.4
209.10664	0.7
211.08560	0.7
211.12227	0.9
212.09283	0.6
213.10262	0.8
221.10674	0.6
223.08612	1.0
223.12292	1.3
224.09456	1.9
225.10208	3.8
226.10988	0.9
227.11789	0.7
229.13318	0.6
233.10699	0.7
235.08594	2.2
235.12192	0.6
236.09489	1.1
237.10233	8.6
238.10950	1.5
239.08087	1.6
239.11743	3.8
241.09708	0.7
241.13065	0.4
247.08881	0.5
248.09496	0.7
249.10225	7.3
250.11037	2.2
251.08165	3.4
251.11778	7.0
252.08952	0.6
252.12442	0.8
253.09674	5.8
254.10481	0.6
255.11349	0.6
261.10196	3.1
262.11060	1.1
263.08228	1.0
263.11765	3.3
264.08884	1.1
265.09708	10.8
266.10342	1.3
267.11224	4.2
268.12003	0.9
269.12894	2.0
270.13040	2.7
271.10873	2.0
271.14465	1.9
273.06274	1.4
277.09677	3.4
278.10471	4.3
279.07675	3.6
279.11255	10.1
280.09079	0.5
280.11932	2.2
281.09262	2.0
281.12784	1.4
282.09750	0.7
283.10730	6.0
285.12421	0.7
288.05814	0.5
288.08676	4.8
289.09708	7.4
291.11267	1.9
293.09222	1.6
293.12836	4.9
294.09964	4.9
294.13455	1.0
295.10880	3.1
295.14093	0.8
296.11514	1.7
297.08792	0.6
297.12265	0.9
299.06323	0.8
299.10226	1.6
306.09891	1.2
307.10727	2.9
308.11563	1.2
309.08994	0.7
309.12241	3.4
311.10193	5.6
311.13858	1.9
312.11050	1.8
313.11832	1.8
314.12668	2.1
317.09296	1.1
321.12231	0.6
323.10388	0.7
323.13812	1.5
324.10941	1.6
325.11707	1.0
326.12662	4.9
327.13361	8.0
328.13980	0.5
335.10220	9.0
337.11844	1.2
339.13376	58.9
340.10315	2.1
340.13852	1.1
352.10492	1.1
354.12094	2.6
355.12891	9.9
367.12869	44.2
368.13492	0.7
370.15179	0.5
374.14462	0.5
374.26978	0.7
387.15466	0.5
399.15201	0.7
435.21655	0.6
444.19153	1.8
463.21072	1.3
472.18689	12.4
473.18488	0.6
476.21725	6.7
504.21274	100.0
505.21494	3.2
522.22278	1.5
536.23901	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	536.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45066	1.1
55.01878	2.8
55.05509	1.5
57.03429	1.8
60.04518	1.7
61.02927	2.0
65.03974	1.4
68.32146	1.1
69.03440	5.9
69.87789	5.2
70.06588	9.8
72.08147	3.3
73.02930	2.2
73.04726	1.3
74.06077	1.8
81.03417	4.1
84.04503	1.5
84.08151	4.7
85.02904	13.7
86.09692	2.5
91.03941	1.3
91.05477	2.4
95.04999	2.2
97.02882	4.5
97.06542	1.3
99.04465	1.4
103.05434	2.0
105.03390	1.1
105.07035	1.3
107.04993	1.1
109.02886	3.3
110.07142	1.9
115.05454	5.6
116.07047	1.6
117.07040	5.7
119.04931	1.8
119.38134	1.1
120.08100	1.1
121.02840	1.1
123.04424	3.3
127.03919	7.2
128.07082	2.2
129.10239	1.6
131.04951	6.7
131.08617	1.2
133.06508	1.2
136.07510	1.1
143.04926	4.0
144.05685	2.9
145.02792	1.2
145.04958	1.7
145.05318	1.7
145.06493	16.0
147.04443	2.8
155.05998	2.2
155.07109	1.8
159.04459	1.8
161.05995	4.4
167.07045	1.8
172.05222	1.9
173.05989	18.2
175.07672	2.1
176.04701	1.7
177.05463	11.7
179.07045	4.5
180.08691	2.9
187.07518	2.5
189.05489	2.4
190.06319	3.2
191.07050	18.2
197.06039	2.7
201.05481	7.5
203.07057	2.0
205.04968	4.3
205.08614	22.9
206.05777	1.8
207.06551	19.9
209.08063	3.5
215.07048	2.7
218.05734	3.3
219.06549	11.7
221.08096	3.2
222.05379	1.5
225.07597	2.2
229.05031	2.6
231.19537	1.3
233.08087	34.6
235.05807	1.2
236.06897	1.7
237.07555	5.6
243.06570	2.4
247.05984	6.4
247.09732	1.7
249.07565	5.6
251.09163	15.6
257.08084	3.9
259.09573	1.7
261.07657	8.0
265.07013	3.2
266.99832	1.3
271.06021	3.1
275.09198	8.4
277.07294	1.9
279.08643	100.0
280.08929	2.1
283.08435	1.2
287.05521	2.1
288.05914	2.0
291.08582	1.8
293.10236	1.8
297.09799	2.6
299.06195	3.3
303.08661	13.4
321.09659	14.9
339.10794	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42728	0.1
69.94277	0.8
75.62269	0.2
98.20811	0.2
113.22559	0.1
151.78508	0.2
161.38965	0.2
184.63930	0.1
200.22220	0.2
214.08521	0.2
216.06583	1.4
217.07286	0.5
227.05798	0.5
228.06656	0.5
230.04501	1.3
232.09648	0.4
242.08063	0.6
243.82117	0.1
244.06079	0.6
245.06844	3.9
258.03696	0.2
260.09131	0.4
270.07574	0.5
273.06311	35.1
274.06641	0.7
287.07874	0.3
288.08655	100.0
289.09012	2.7
334.30850	0.2
367.98032	0.2
450.14142	1.2
492.15063	2.4
518.13086	0.3
536.14001	18.6
537.14313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.0
55.05478	1.6
56.52805	1.2
57.03429	1.7
60.04524	2.2
61.02922	1.6
69.03409	4.8
70.06593	6.4
70.91482	2.9
71.04984	1.6
72.08119	2.1
72.94864	1.3
79.05466	1.8
81.03401	3.0
84.04494	1.8
84.08155	1.8
85.02905	14.9
88.60610	1.2
90.69647	1.3
91.05434	1.7
97.02880	6.6
97.49910	1.3
103.05468	1.8
109.02888	2.8
115.05430	3.2
117.06986	4.6
119.04915	2.6
120.68826	1.3
123.04430	3.5
127.03883	5.5
128.07103	1.6
131.04904	3.5
131.08543	1.6
133.06456	2.7
143.04909	3.7
144.05589	1.7
145.04922	3.7
145.06487	16.0
147.04399	1.7
147.07974	1.6
147.59570	1.6
149.05965	1.8
152.07114	1.2
155.05949	2.7
155.07071	2.8
159.04483	1.5
159.08046	2.0
161.06003	4.3
162.03058	1.3
167.05540	1.4
167.07040	1.6
172.05128	3.8
173.05995	17.2
175.03868	1.4
175.07564	2.6
176.04512	1.9
177.05476	9.4
178.06293	1.7
179.07077	4.6
180.08646	3.5
183.06532	1.8
185.06023	1.6
187.07553	3.1
189.05431	3.4
190.06195	1.7
191.07037	18.8
192.04166	1.7
197.05927	3.0
200.04631	1.7
201.05457	8.0
203.07030	1.6
205.04938	3.6
205.08592	24.5
206.05811	2.0
207.06537	22.3
209.07976	3.1
215.07031	2.8
217.05025	2.3
217.08450	1.6
218.05711	4.5
219.06525	16.8
219.10220	1.8
221.08101	4.0
222.05417	1.7
225.05383	1.3
225.07574	3.6
229.04866	3.9
231.06523	2.2
233.08083	37.8
233.10397	2.3
236.06781	1.5
237.07587	5.4
243.06429	3.1
247.05992	6.1
247.09657	2.8
249.07591	10.7
251.09137	12.8
252.06291	1.9
257.08041	4.6
259.09641	2.3
261.07632	7.5
263.08990	2.0
264.06335	1.3
265.07141	6.7
271.06009	1.9
275.09125	11.5
277.07135	3.4
279.08627	100.0
280.08929	1.9
288.05579	1.8
289.06863	1.6
293.10110	1.4
295.07959	1.8
297.09637	1.5
299.06116	2.7
303.08627	21.1
321.09656	18.0
339.10776	15.5
357.11636	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	536.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45525	0.1
57.03402	0.2
60.62507	0.1
67.05488	0.3
69.03424	0.3
69.07076	0.2
70.06575	0.3
70.66155	0.2
79.05492	0.3
81.03392	0.4
81.07026	0.4
83.05021	0.2
84.08108	0.2
85.02880	0.4
91.05450	0.2
93.07040	0.5
95.08590	0.2
97.02872	0.2
97.06480	0.2
105.07024	0.3
107.08561	0.5
109.02828	0.1
109.10095	0.2
119.08551	0.2
120.08089	0.3
121.10091	0.2
123.04440	0.1
127.03912	0.4
131.08525	0.2
135.11676	0.3
136.07518	0.2
141.47990	0.1
144.39563	0.2
171.86229	0.2
207.28510	0.2
213.04001	0.2
216.06509	1.2
217.07330	0.5
218.08148	0.2
225.04509	0.1
227.05807	0.2
228.06497	0.4
230.04486	1.1
231.05110	0.3
232.09775	0.4
242.08116	0.7
244.05992	0.4
245.06819	3.2
270.07538	0.4
272.05609	0.2
273.06302	28.2
274.06799	1.0
287.07901	0.2
288.08640	100.0
289.08957	2.5
302.06479	1.4
351.09866	0.2
492.14841	0.3
504.17563	0.4
536.13879	5.4
536.20386	0.3
536.30920	0.2
537.14264	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83842	0.1
53.03932	0.1
55.01840	0.1
56.51107	0.1
69.03424	0.8
70.10067	0.6
79.70921	0.1
81.03413	0.8
85.02887	0.6
87.00794	0.4
93.07025	0.2
96.08104	0.1
97.02862	0.5
97.92652	0.1
99.04412	0.1
102.44456	0.1
105.01879	0.1
108.08104	0.2
109.02847	0.5
110.09654	0.3
120.08072	0.2
121.02853	0.1
123.39228	0.1
127.03908	0.6
136.07561	0.3
138.09105	0.3
148.07458	0.2
166.08559	0.5
187.06122	0.1
198.05676	0.2
199.06290	0.2
200.06964	0.1
216.06575	1.6
217.07314	0.5
226.04945	0.2
227.05759	0.3
228.06450	0.2
230.04530	1.7
235.08632	0.2
237.10178	0.3
242.08176	0.2
244.05995	0.6
245.06819	3.2
247.08821	0.1
248.09361	0.2
249.10217	0.4
251.11627	0.2
256.06088	1.2
257.06689	0.3
258.03940	0.5
258.07550	0.3
265.09665	0.4
267.11282	0.2
272.05609	0.2
273.06293	46.7
274.06644	1.1
276.08899	0.3
277.09622	0.4
278.10477	0.2
279.08463	0.1
279.11343	0.3
280.11990	0.1
288.08640	100.0
289.08957	2.6
291.07681	0.1
291.11172	0.2
293.09061	0.2
305.09158	0.2
307.10608	0.3
309.12070	0.1
319.10696	0.6
321.12415	0.1
323.10196	0.2
339.13403	0.5
347.10123	0.2
351.09659	0.5
365.11414	0.6
367.13458	0.1
371.12338	0.2
383.12320	0.3
444.96695	0.1
450.13672	0.2
474.20132	0.2
490.20056	0.2
492.15079	1.8
500.18127	0.2
518.19202	3.1
536.13892	11.5
536.20044	0.5
537.14374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71176	0.1
55.34120	0.1
67.05471	0.2
69.03391	0.3
69.07037	0.1
70.06573	0.2
70.48631	0.2
70.48966	0.1
71.04973	0.1
78.41846	0.1
78.46479	0.1
79.05472	0.2
81.03380	0.4
81.07030	0.3
83.04976	0.1
84.08105	0.1
85.02880	0.3
87.00821	0.2
88.77248	0.1
93.07004	0.2
95.04948	0.1
97.02845	0.2
105.07038	0.2
109.02858	0.2
109.06509	0.1
109.10158	0.1
115.03934	0.1
121.10081	0.2
127.03906	0.1
131.08514	0.1
145.10190	0.1
162.05504	0.1
167.05574	0.2
197.49359	0.1
214.08574	0.1
216.06644	1.0
217.07254	0.6
218.62262	0.1
227.05817	0.3
228.06554	0.4
230.04532	1.3
231.05379	0.1
232.09682	0.4
240.06627	0.2
242.08121	0.6
244.06038	0.3
245.06830	3.4
246.07213	0.2
252.15909	0.2
256.05872	0.2
258.03882	0.1
260.09058	0.3
270.07639	0.7
271.08600	0.2
272.05704	0.3
273.06302	33.4
273.95187	0.1
274.06659	0.7
287.07880	0.3
288.08649	100.0
289.09018	2.7
299.06097	0.4
302.06180	0.2
326.19879	0.1
492.14969	0.4
536.13989	12.8
537.14221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.34
Annotation	Taumycin B
Peak:m/z	Relative Intensity
55.05513	3.3
57.03429	1.4
57.07072	3.3
59.29565	1.5
67.05502	6.3
69.03421	2.4
69.07069	3.5
71.54985	2.2
75.70731	1.5
75.93722	1.5
79.05518	2.3
81.03412	2.1
81.07047	7.2
82.25103	1.4
83.04983	3.8
83.08640	1.4
91.05459	2.7
93.07048	5.4
95.04987	1.4
95.08611	5.7
97.06500	3.4
105.07040	4.0
107.08595	5.4
109.10158	5.2
119.08595	4.7
121.10146	3.4
123.11768	2.6
131.08534	2.4
133.10139	4.3
135.11702	2.2
145.10091	4.0
147.11708	2.4
157.10124	2.3
159.11723	3.0
171.11710	1.6
175.03928	2.5
183.11629	1.6
185.13269	2.2
187.14792	2.0
227.17804	1.7
241.08633	1.5
331.15878	1.5
363.26883	1.9
435.25604	1.6
453.40479	1.6
475.31894	10.6
516.34351	2.8
535.26892	4.6
535.33936	100.0
536.34039	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18951	0.3
53.03936	0.6
55.01844	0.5
55.05494	0.9
57.03435	0.6
67.05481	1.1
69.03423	2.9
69.07042	1.4
69.42412	1.3
69.42831	1.8
70.06568	1.3
71.04974	0.6
72.08135	0.7
73.02911	0.5
79.05491	0.4
81.03414	2.3
81.07066	2.5
83.04967	0.8
83.08614	0.5
84.04495	0.9
84.08114	0.6
85.02900	4.0
85.06532	0.7
86.09683	0.6
87.00818	0.9
87.04444	0.4
91.05456	1.2
93.07050	1.8
95.04946	1.4
95.08602	1.7
97.02885	2.1
97.06513	0.7
98.21524	0.8
99.04432	1.0
105.01857	0.6
105.03363	0.6
105.07014	1.6
107.04984	0.4
107.08559	1.7
109.02856	1.5
109.06496	0.4
109.10146	0.9
111.08102	0.4
119.08553	1.4
120.08050	0.7
121.10113	1.4
123.08049	0.5
123.11678	0.9
125.09637	0.4
127.03935	1.9
131.08540	0.6
133.06493	0.8
133.10094	1.1
135.11670	0.8
136.07562	0.5
137.09575	1.3
143.08539	0.5
145.04985	0.6
145.10083	0.8
147.11635	0.9
149.09616	0.4
149.13199	1.0
157.10074	0.4
159.11684	0.9
161.13266	0.5
162.02177	1.2
165.12811	0.4
173.13329	0.5
179.14307	0.5
186.87479	0.4
189.16328	0.5
198.05441	0.6
199.14882	0.5
209.64330	0.4
216.06624	1.4
217.10196	0.4
217.15918	0.7
223.16792	0.4
230.04410	1.9
235.16998	2.5
241.18007	1.1
242.08170	0.5
244.03941	0.5
244.06084	1.2
245.04498	0.5
245.06766	2.2
253.17966	5.2
255.05228	0.7
256.06061	1.7
257.01398	4.1
258.03925	1.8
258.07681	0.6
270.07541	0.8
271.19003	3.0
272.03586	5.5
273.06305	67.3
274.06686	0.8
284.09106	1.5
285.00821	3.2
287.16797	0.5
288.08649	100.0
289.08917	0.9
299.06107	1.1
300.03232	38.0
301.03522	0.5
313.00333	0.9
318.06049	2.5
328.02728	17.2
329.03305	0.5
340.99911	0.9
356.02216	98.6
357.02518	2.0
374.03275	90.5
374.15933	2.0
375.03674	1.9
407.22113	0.6
446.14200	0.5
492.14993	1.2
504.17194	0.5
513.16962	0.4
535.21515	0.4
536.08423	16.0
536.14392	5.2
536.21649	2.6
537.08575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2703
Annotation	GV 150013X
Peak:m/z	Relative Intensity
56.49818	0.3
59.38022	0.3
60.04338	0.3
64.12330	0.3
67.05492	0.4
71.45257	0.4
72.74615	0.3
81.07048	0.3
90.50510	0.3
94.55258	0.3
95.08645	0.3
102.48185	0.3
105.07003	0.3
120.09464	0.3
147.11591	0.4
159.04518	0.3
175.03952	1.0
180.29886	0.3
185.30403	0.4
198.25310	0.3
241.08554	0.3
247.09727	0.7
296.37161	0.4
313.14380	0.6
375.16315	0.4
389.17554	1.0
390.18579	1.2
391.19070	1.8
393.20776	0.5
403.19348	1.1
404.20026	2.5
405.20724	12.5
406.21219	2.2
407.22592	0.4
417.21066	0.6
418.21692	1.2
419.16995	0.3
419.22437	13.4
420.23022	3.2
432.19418	1.0
433.20062	3.9
433.24289	2.7
434.24747	5.4
435.25415	13.7
447.21530	13.6
448.26355	0.9
459.22122	0.3
461.23224	2.0
462.24088	0.3
463.28391	2.0
477.22699	0.7
489.26828	0.4
492.24985	1.0
496.75888	0.4
506.23132	2.1
507.27600	9.0
508.28345	0.4
517.32703	0.5
520.24927	0.5
535.27039	100.0
536.27374	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	535.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
54.59425	0.2
55.05482	0.3
65.03931	0.8
67.05484	0.6
69.07048	0.3
71.53499	0.3
79.05497	0.3
81.07063	0.4
83.62167	0.3
85.72724	0.3
86.67017	0.3
91.05478	1.1
91.16431	0.2
92.04998	2.1
95.04955	0.3
104.04988	1.1
105.07024	0.3
107.08559	0.3
109.10179	0.3
115.05492	0.4
117.05773	1.9
117.06972	0.3
120.04459	11.4
128.06224	0.6
129.07014	1.0
130.06522	4.9
132.04459	5.3
144.04456	0.5
144.08066	0.4
145.06491	0.3
146.06010	5.6
146.07137	0.6
147.08041	0.5
147.28802	0.3
153.06949	0.4
153.63527	0.3
158.06009	31.0
159.06723	0.5
159.08064	1.1
165.07039	0.5
167.08586	0.3
168.08095	0.5
170.06006	1.7
172.07567	0.7
175.03922	0.3
179.08569	0.3
180.08076	1.5
181.06516	0.5
182.05977	0.8
183.06758	1.2
183.08189	0.5
184.07605	0.8
185.09619	0.4
186.05492	3.7
189.07071	0.3
196.07552	2.6
197.09584	0.3
198.09117	0.9
200.07062	6.1
201.07404	0.3
204.08038	0.5
206.09683	0.7
208.07516	3.0
209.09795	0.4
210.09100	2.1
214.08641	0.4
216.08115	0.8
217.08875	0.4
220.07574	0.7
221.08321	0.9
226.08621	1.6
232.09880	0.8
233.08400	0.5
233.10735	1.3
234.09029	1.7
238.08569	0.8
243.09161	0.5
246.09265	0.6
247.08679	1.1
257.08041	0.3
258.09109	2.3
260.07025	0.7
260.09525	0.7
261.10233	11.0
263.08124	1.0
268.11066	0.4
270.09122	0.6
271.08618	3.9
272.07059	0.8
272.09509	0.6
275.09323	0.5
279.10278	0.9
282.12671	0.3
284.10748	0.4
287.05380	0.8
289.09695	100.0
290.09860	1.0
290.11816	1.1
291.10492	0.3
292.11044	0.4
293.11868	0.5
294.12680	0.9
296.10791	0.7
297.11417	0.3
298.12177	0.4
305.11856	0.4
306.12344	0.5
308.10648	1.2
310.12289	1.6
311.12833	0.4
312.10266	0.5
312.13852	0.5
313.10812	0.5
314.11749	0.4
318.11475	0.4
320.10657	0.5
321.11313	0.4
322.12170	2.4
323.12726	0.5
324.10297	0.4
324.13913	0.8
326.11725	1.3
326.15390	0.8
327.11722	0.3
328.13242	1.4
330.11304	0.4
330.39209	0.3
333.11530	0.4
334.12048	1.1
335.11807	2.6
336.13730	0.7
338.11691	0.8
338.15332	0.8
340.13324	1.2
342.11111	0.2
342.14868	4.8
346.14383	0.9
348.13797	0.6
350.11688	0.4
351.12375	0.5
352.13144	0.4
353.12781	4.9
354.14902	4.8
362.14053	1.0
366.14838	3.4
367.15591	0.3
368.16345	0.5
372.15906	3.9
384.15915	1.4
390.17084	0.5
434.14648	0.3
449.16333	0.6
467.17032	0.7
471.20990	0.3
481.19189	1.8
489.21405	0.3
499.20190	3.2
517.21399	1.2
535.28638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.3
55.01867	7.2
55.05502	9.1
57.03426	7.7
67.05513	37.2
69.03413	14.6
69.07060	23.8
70.06580	10.1
71.04995	10.1
71.52236	5.0
71.52697	6.2
79.05495	24.9
81.03403	19.6
81.07060	28.7
83.08652	6.6
85.02891	23.0
86.09708	6.8
87.00800	9.5
91.05482	23.3
93.07050	47.1
95.04975	10.6
95.08611	50.8
97.02879	13.3
105.07025	19.9
107.04955	13.3
107.08589	37.1
107.36189	5.5
109.02863	16.8
109.10178	33.4
117.06961	5.5
119.08569	20.2
121.06485	22.2
121.10138	15.9
127.03906	22.6
129.07022	7.7
131.08528	8.7
133.06509	5.7
133.10143	14.3
137.05937	7.6
143.08620	8.4
145.04903	5.5
145.10133	9.8
147.04422	8.6
147.11617	7.9
149.05972	100.0
151.03873	7.6
157.10072	9.2
159.08020	11.6
159.11697	7.6
161.05962	11.0
163.07558	6.4
163.11127	10.3
171.08044	9.8
173.05981	61.5
173.13243	5.3
175.03905	8.0
175.07581	11.1
187.07526	58.3
199.07487	9.3
201.09148	29.0
207.06519	8.5
211.11157	9.9
211.79834	5.3
213.09137	31.9
225.12755	17.5
227.14360	7.5
269.15350	79.4
273.06100	5.9
287.05524	33.0
288.08621	8.8
299.06107	6.9
300.08667	8.6
303.06598	5.8
376.11792	6.2
403.10809	5.6
448.75549	5.5
535.18671	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2145
Annotation	piperaquine
Peak:m/z	Relative Intensity
53.21605	0.3
62.40707	0.3
69.03371	0.4
69.27491	2.3
71.04919	0.3
73.04517	0.3
81.03335	0.8
81.06995	0.7
82.59083	0.3
83.04903	0.4
85.02827	0.9
91.05401	0.4
97.02835	0.4
97.06460	0.3
98.20814	0.7
100.36446	0.3
107.08507	0.4
109.02779	0.6
119.08472	0.7
137.05899	0.4
167.93840	0.3
183.07852	0.3
217.04631	1.0
219.22350	0.3
229.08345	1.7
244.10593	0.5
245.04095	0.7
269.12808	0.6
273.06360	3.2
287.05319	0.6
287.13730	0.8
288.08649	5.2
299.05545	2.0
300.05875	1.9
301.06018	3.3
327.11551	0.4
355.11130	0.6
355.15042	2.7
356.02011	0.7
357.12915	0.4
371.11227	0.7
372.11469	1.0
373.12018	2.6
373.16187	48.2
374.03583	0.4
374.16492	1.2
391.15732	0.7
535.21545	100.0
536.14484	0.5
536.21783	2.7
557.88190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65637	1.4
53.03933	2.3
55.01862	3.9
55.05517	8.8
56.05054	1.5
57.03432	4.0
59.05005	1.9
61.02926	2.7
65.03930	3.7
67.05508	16.8
69.03432	9.9
69.07073	11.0
70.06589	14.3
70.13635	5.8
71.04993	6.7
72.08147	4.6
79.05493	14.9
80.68164	1.5
81.03414	12.4
81.07056	22.0
83.04975	7.1
83.08623	2.0
84.04485	3.9
84.08145	7.3
85.02904	17.3
85.06531	10.3
86.09705	4.5
87.00834	4.5
87.04461	1.9
91.05484	33.3
93.07043	15.2
94.45133	1.5
95.04968	6.4
95.08613	17.4
97.02895	10.1
97.06530	5.3
99.04483	3.9
99.08076	12.1
101.02286	1.4
101.06029	12.5
105.01901	2.8
105.03407	4.3
105.07023	11.0
107.04980	3.3
107.08584	8.0
107.99548	1.6
109.02875	9.8
109.06517	1.7
109.10139	6.2
111.04446	2.2
111.08085	2.5
115.07584	2.4
116.07073	2.8
117.07011	4.5
119.04940	32.1
119.08565	8.0
120.08115	1.5
121.02862	17.3
121.06557	3.0
121.10136	12.3
123.08043	2.9
123.11700	3.5
124.07629	1.6
127.03913	11.2
129.07030	2.1
129.10281	2.3
131.08582	6.9
132.02089	1.8
133.10130	7.7
135.04459	2.1
135.11697	8.1
136.07579	1.8
137.05968	2.8
145.02875	2.7
145.04968	3.3
145.10150	8.1
147.04395	27.7
147.11685	5.4
148.04779	1.8
148.07509	2.6
149.02402	1.8
149.06139	1.5
149.13277	3.0
151.03947	2.3
151.71625	1.6
157.03975	3.1
159.11711	6.2
161.09631	1.8
163.03882	1.6
166.08553	2.0
167.03468	2.0
167.07216	2.5
171.11594	1.7
173.13405	2.4
175.03908	46.6
175.05312	3.1
177.05464	5.6
179.07056	2.2
187.14764	2.4
192.04121	2.2
198.74638	1.6
201.05475	2.6
205.66246	1.6
207.06528	100.0
208.06837	2.7
215.17964	10.7
233.19040	3.9
251.20116	5.7
269.11533	2.5
269.21124	24.8
287.05432	10.7
287.22198	7.0
299.05432	3.6
300.05783	3.9
301.06079	4.8
308.08878	2.5
355.11649	3.2
369.11835	4.1
372.11517	2.2
373.12515	16.8
449.35031	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
65.03926	0.5
67.05515	0.5
68.99782	1.0
69.03407	1.2
69.07031	0.4
69.51871	2.7
70.06585	2.8
72.08157	0.9
78.30831	0.3
79.05495	0.4
81.03428	2.0
81.07059	0.6
83.04926	0.4
84.08142	0.7
85.02917	1.7
86.09711	1.1
91.05488	6.1
96.94031	0.3
97.02867	1.1
105.03372	0.9
105.07011	0.3
107.04917	1.1
109.02872	1.6
110.07176	0.4
111.00811	0.4
119.04955	8.5
120.08109	0.7
121.02126	0.5
121.02875	5.1
127.03934	1.9
129.10265	0.8
133.02815	1.0
135.04419	0.5
136.05162	0.5
136.06146	0.5
137.02324	1.0
137.09721	0.3
145.02864	0.5
145.04941	0.7
147.04414	8.1
151.03825	0.5
153.01846	4.4
157.04021	0.5
159.03047	0.5
165.01843	2.0
165.42577	0.4
167.05725	0.4
167.07088	0.4
175.03903	13.3
176.04507	0.4
177.05521	0.7
179.03404	0.4
179.07059	0.6
183.02850	1.0
185.05905	0.7
200.16443	0.3
203.07030	0.5
207.06531	27.8
208.06813	0.5
213.05428	1.4
231.06621	0.7
241.04967	1.2
258.05252	1.3
259.06027	0.5
287.05496	100.0
288.05798	4.9
351.10840	0.5
369.11810	1.4
386.32153	0.4
449.10803	1.0
535.10754	1.1
535.27417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01870	0.4
55.05503	1.3
57.03439	1.2
67.05509	2.5
69.03412	0.8
69.18282	1.5
69.18709	3.4
70.06593	0.5
71.04980	0.4
79.05504	1.5
81.03426	1.6
81.07056	1.8
83.04982	1.2
85.02904	1.2
85.06572	0.5
88.92482	0.4
91.05471	1.5
93.07034	0.9
95.04985	1.0
95.08612	1.6
95.75312	0.4
97.10148	0.4
105.03397	0.8
105.07040	0.8
107.08579	0.5
109.02940	0.8
109.10179	1.7
110.63105	0.4
117.07054	0.7
119.04926	0.5
119.08601	1.5
121.06478	0.6
121.10165	0.7
127.03953	0.6
133.10127	0.5
135.11679	0.4
137.06006	0.5
143.08557	0.5
145.10172	0.8
147.08046	0.5
147.11708	0.9
157.10190	0.6
159.11758	0.4
167.07088	0.6
173.09639	1.1
184.07425	1.1
185.07632	0.5
206.04593	0.4
206.12662	0.4
222.89032	0.4
244.11205	1.3
258.07507	1.2
259.10046	0.8
273.06424	0.7
286.08618	1.6
287.05536	3.8
287.08698	0.8
288.08871	0.9
291.08850	2.1
312.10211	1.8
328.09824	0.5
329.05972	0.4
338.08258	0.9
346.11765	0.4
360.12308	4.6
361.79700	0.4
365.10403	2.2
386.13968	1.0
387.11688	0.7
389.09592	0.9
392.11514	0.8
401.09131	0.8
402.09979	5.6
403.10516	2.9
404.11649	5.4
405.12308	1.1
412.11792	1.2
415.10687	8.1
415.15665	0.5
416.11523	10.4
417.12704	14.3
418.09396	1.2
419.10419	1.6
427.10837	1.1
428.11835	1.4
429.12381	11.6
430.13452	5.3
431.10150	3.1
431.14346	2.3
432.11053	8.9
432.16928	0.5
433.11880	1.5
441.12506	1.3
442.13116	0.9
443.09390	0.9
443.13919	2.7
444.15100	0.8
445.11969	11.3
446.12619	2.7
447.13376	3.3
453.12186	0.5
454.12988	1.2
455.13962	1.6
456.14804	0.4
457.15955	3.3
459.18277	0.5
460.10214	3.2
461.15063	1.5
467.13742	0.6
469.15738	0.6
473.14844	3.2
475.12936	1.8
485.14856	0.9
487.16495	1.4
499.16473	0.7
503.16241	1.4
505.18030	0.5
517.17786	2.8
518.18042	1.0
535.18677	100.0
536.19061	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	535.108
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.02375	0.2
53.03944	1.6
55.01875	1.6
55.08481	0.1
57.03433	1.1
61.02935	0.9
62.94964	0.1
68.99789	1.1
69.03429	5.8
70.88987	0.3
71.05003	0.7
73.02915	1.5
79.85867	0.1
81.03416	6.4
83.01342	0.3
85.02903	10.4
87.00832	4.3
87.04456	0.2
87.39136	0.1
91.03956	0.4
91.09155	0.1
97.02893	3.4
99.04451	2.3
105.01867	2.8
105.03373	0.2
107.04979	0.2
109.02878	6.5
111.00794	0.6
115.03881	0.2
117.01870	0.9
121.02855	2.2
127.03913	8.6
129.01855	0.9
133.02846	0.4
135.04393	0.2
137.02333	0.6
145.04965	2.9
147.02866	0.6
147.04372	0.3
153.01826	3.0
157.06459	0.4
159.02896	4.0
161.05872	0.2
165.01848	1.3
171.04329	0.2
183.02882	0.7
185.05975	0.4
213.03735	0.2
213.05539	1.2
218.63840	0.1
231.04697	1.0
231.06943	0.2
241.04993	0.6
258.05289	0.9
259.06039	0.2
269.04575	0.2
287.05490	100.0
288.05783	0.7
299.05548	0.2
329.06424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
53.36860	0.2
54.69726	0.3
55.01865	0.8
55.05488	0.3
57.03420	0.9
59.05003	0.3
61.02917	0.8
61.25892	0.3
67.01836	0.3
67.05492	0.8
68.99792	1.2
69.03429	7.3
69.07067	0.3
70.06591	0.6
70.10448	0.8
70.10873	0.5
71.05013	1.4
73.02900	0.8
79.05478	0.7
81.02994	0.4
81.03424	5.4
81.07055	0.6
83.01330	0.6
84.08196	0.3
85.02905	7.2
85.06548	0.4
86.09663	0.3
87.00835	3.0
87.04441	0.4
91.05463	0.7
93.07053	0.7
95.05000	0.3
97.02886	13.0
97.06514	0.3
99.04444	2.4
105.01843	1.4
105.03399	0.5
107.04964	0.7
107.08529	0.3
109.02874	4.0
111.00807	0.7
115.03925	0.8
119.08521	0.4
121.02856	3.2
127.03922	6.0
131.08437	0.3
133.02852	0.6
134.06007	1.8
137.02336	0.9
137.06038	0.3
145.04955	4.4
145.09027	0.3
145.10150	0.3
147.04433	1.3
153.01826	4.2
157.06509	0.4
159.02884	0.8
161.05992	0.3
165.01837	2.6
175.03915	0.5
178.04973	0.3
183.02831	0.8
185.05942	0.4
201.01797	0.4
203.03395	2.6
206.04491	0.4
207.06578	0.7
213.05473	1.3
224.29573	0.3
231.04776	0.4
231.06827	0.4
241.04883	0.9
243.06586	0.3
256.19470	0.3
258.05222	1.4
269.08072	0.8
287.05493	100.0
288.05792	1.9
293.38351	0.3
299.05646	0.4
299.68768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	20.3
57.03430	10.9
57.07068	13.9
59.66014	3.2
60.11574	3.5
61.02913	7.6
67.05508	82.4
69.07071	25.0
69.77592	19.9
71.08622	6.6
72.52650	3.1
79.05502	22.6
81.07056	100.0
83.08623	24.1
85.02902	7.3
86.09727	7.3
91.05475	17.8
93.07034	32.6
94.31208	3.4
95.08611	82.4
97.06525	4.6
97.10170	13.5
98.21516	5.6
104.10747	13.4
105.07027	13.4
107.08592	16.6
109.10155	35.5
111.08060	5.0
111.11720	6.9
113.09630	4.2
119.08611	11.4
121.10152	24.8
123.11710	18.9
124.99998	4.1
133.10150	16.9
135.11685	9.7
137.13235	8.8
141.12764	4.9
147.11691	11.1
149.13266	10.5
151.14851	4.5
155.14354	3.3
161.13266	15.0
162.05548	3.5
163.14825	10.6
165.03127	3.4
165.16440	7.1
169.55731	3.0
175.14838	10.5
179.17976	7.4
184.07361	11.9
189.16396	6.2
245.22632	56.4
245.24995	4.6
248.73975	3.5
263.23706	73.2
337.27359	54.1
355.28491	7.0
463.93887	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	534.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.05270	0.7
55.05511	7.5
56.05036	5.0
57.07078	2.8
58.02950	0.4
58.06593	1.0
60.04528	3.8
65.03930	1.6
67.04266	0.6
67.05504	14.2
68.05014	1.4
69.07068	9.6
70.06601	2.2
70.69107	0.7
70.69453	0.4
70.69658	0.3
71.08640	2.3
72.04445	0.4
76.35304	0.4
79.05490	12.9
80.05017	4.4
81.05789	1.8
81.07053	13.0
82.06576	8.4
83.08611	5.6
84.08164	0.7
85.10172	0.7
86.06062	0.5
91.05477	10.5
93.05803	0.7
93.07046	12.2
94.06569	22.2
95.04967	1.8
95.07346	9.6
95.08607	10.0
96.08132	5.6
97.06478	0.9
97.10151	2.3
105.04478	0.6
105.07034	6.4
106.06573	0.5
106.22010	0.4
107.07354	0.6
107.08601	6.1
108.08121	3.1
109.10146	3.8
110.09703	0.8
111.11678	1.1
117.06939	0.4
119.07814	0.6
119.08585	6.8
120.08076	0.5
121.10137	5.5
122.09663	2.8
123.11729	1.3
124.11240	0.5
131.94099	0.4
133.10115	4.0
134.09605	0.7
135.10579	0.6
135.11681	3.3
136.11205	0.7
137.13237	1.0
137.55492	0.4
147.11700	1.3
149.13261	1.0
151.14890	0.5
161.13306	0.8
163.14784	0.9
167.85956	0.4
203.17947	0.4
217.19446	0.4
219.21095	0.5
225.83849	0.4
233.22626	4.2
234.22279	0.6
239.90895	0.5
245.22714	4.1
245.25008	0.6
250.22774	0.8
250.25299	9.6
251.25618	0.6
254.24709	1.1
260.23486	0.5
262.25296	100.0
263.23337	0.6
263.25830	2.0
272.25900	4.5
280.26358	11.0
504.47632	1.9
516.47687	6.7
534.48792	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	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70820	5.0
51.77848	5.3
52.13453	4.4
53.03941	6.8
55.05519	24.8
57.07073	13.5
67.05511	79.7
69.07055	23.5
71.08620	9.1
71.51946	5.4
74.39726	4.6
76.01142	4.8
79.05479	21.6
81.07060	100.0
83.08598	20.8
85.02937	6.3
91.05470	19.0
93.07024	23.2
93.75991	5.9
95.08610	74.6
97.06529	7.3
97.10178	9.7
104.10713	9.5
105.07035	20.6
107.08582	17.2
109.10162	41.7
111.11736	9.6
118.38652	5.4
119.08578	11.4
121.10149	25.5
123.11716	17.4
133.10117	17.5
135.11661	14.1
137.13289	7.5
141.12845	5.2
147.11691	10.2
149.13254	11.3
151.14795	6.5
161.13228	19.2
163.14851	10.9
165.16380	10.6
175.14859	8.8
179.17992	6.3
184.07306	12.4
214.08578	12.8
215.08794	6.5
245.22652	62.0
263.23743	63.4
337.27368	39.9
359.82861	5.2
428.60074	5.2
439.48907	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	534.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95705	12.1
55.05511	24.3
57.07067	26.9
67.05502	45.9
69.07075	19.0
69.52106	54.2
69.52509	33.1
70.06589	12.8
79.05496	33.4
79.61413	10.8
81.03410	38.7
81.07064	68.6
83.08640	17.7
91.05455	38.7
93.07050	52.3
93.07571	12.0
95.04975	14.9
95.08610	42.2
101.56248	12.1
102.09235	13.5
105.07045	26.3
107.08604	22.9
107.43674	10.6
109.10167	15.0
119.08559	18.3
121.10145	26.2
133.10153	14.7
134.10480	13.0
161.13274	19.1
175.03902	23.5
187.03757	15.4
189.09090	13.0
196.81198	13.6
203.14340	31.2
219.17474	72.7
222.37386	11.8
241.08606	27.1
247.09607	20.5
256.26324	81.7
261.11478	15.6
284.47406	13.7
287.05453	14.2
313.14417	19.9
327.15887	24.4
421.27640	20.7
449.26993	24.4
463.28540	20.4
499.30640	41.6
516.37671	23.6
534.45581	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	5.6
55.05497	9.3
56.34697	3.4
57.03427	6.0
65.89305	3.5
67.05494	14.1
69.03427	22.6
69.07069	29.8
69.32925	31.2
70.06578	10.0
71.04984	6.4
79.05502	23.2
81.03407	15.7
81.07069	29.1
83.04980	22.9
84.08121	5.4
84.75310	3.7
85.02904	15.7
85.06546	9.8
86.09694	6.9
89.96638	3.3
91.05470	28.5
93.07039	27.9
94.06598	3.4
95.04977	17.2
95.08617	7.8
97.02892	9.1
97.06533	55.0
99.04456	40.8
105.07018	46.3
107.04956	11.0
107.08610	30.0
109.02852	10.7
109.06505	24.6
109.10161	6.8
111.57275	4.0
115.05476	4.4
117.07018	13.4
119.04918	10.8
119.08566	14.8
121.02795	6.5
121.06528	31.0
121.10141	8.9
125.05999	56.7
127.03915	10.1
127.07520	5.3
128.06186	3.8
131.08575	19.0
133.06496	9.9
133.10117	17.2
135.11667	4.9
137.05988	16.8
137.09639	4.5
141.08952	3.5
143.07030	56.7
143.08595	7.2
144.09253	5.6
145.06494	10.6
145.10132	94.4
146.10590	4.1
147.07997	4.5
147.11719	7.3
148.07616	3.8
149.09554	4.3
150.33484	3.5
151.07492	5.8
154.07733	5.8
155.08553	5.5
157.10089	4.4
158.07266	10.0
159.08124	8.2
159.11690	33.7
161.09647	3.7
163.11171	35.7
167.07089	4.2
169.10143	12.5
172.08820	6.9
173.09630	67.9
175.07794	3.6
175.11238	3.8
177.05562	5.5
177.12753	7.9
181.01305	7.8
182.01804	4.4
187.11200	64.5
189.12729	6.0
191.10687	26.9
194.63593	3.8
197.09636	9.8
205.12251	88.6
207.06555	6.4
209.11711	7.0
215.10667	71.8
233.11728	100.0
251.12816	49.1
269.13840	19.1
275.07483	4.5
285.07486	21.7
286.07843	34.2
287.05359	8.5
294.52335	4.2
295.05414	4.3
298.04178	4.3
299.05420	46.5
300.05844	62.7
311.09387	5.8
312.09454	8.0
316.05295	7.2
341.13907	4.5
353.10291	4.1
354.10455	13.5
372.11508	16.0
373.16263	5.6
377.16010	12.0
395.17041	17.1
400.61880	4.0
413.18158	22.1
502.15958	7.7
516.17633	5.3
534.18048	41.6
535.20746	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	534.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54278	2.9
53.03943	7.0
55.01874	5.7
55.05503	5.4
57.03443	5.4
59.04999	4.3
60.08158	7.6
60.17645	3.5
61.02921	4.1
61.68093	3.2
62.48380	2.7
67.05506	6.1
68.99802	6.3
69.03430	28.3
69.07076	49.5
70.06579	3.8
71.04980	3.9
73.02931	6.0
75.02016	3.2
77.27165	3.0
77.63666	3.4
81.03437	31.7
81.07042	6.9
83.04999	8.2
84.08110	4.3
85.02910	46.9
85.99226	3.1
86.09709	21.2
87.00821	19.4
91.05453	4.4
95.04967	3.4
95.08599	5.0
97.02905	17.4
98.98466	4.9
99.04449	11.8
104.10746	30.7
105.01860	8.7
105.03416	3.7
105.07009	6.2
107.08566	4.5
109.02878	22.2
117.01892	5.5
119.08594	6.6
121.10111	3.8
125.00009	10.2
127.03938	33.6
129.01852	4.8
130.06549	7.4
142.06548	53.5
142.07632	2.7
144.08061	7.2
145.04974	12.7
156.08070	14.4
158.06007	4.6
159.02982	15.9
160.07593	30.1
162.09138	3.5
167.07117	4.3
168.08109	12.5
169.08873	4.1
170.06012	12.5
170.09654	13.4
172.07578	3.9
172.11162	4.3
182.09689	17.3
184.07430	55.0
184.11209	12.3
185.12016	3.7
194.09679	14.2
196.07649	3.9
196.11249	8.3
198.09093	8.2
198.12798	100.0
200.10664	20.8
208.11392	4.8
210.09171	7.4
210.12901	4.6
212.10754	23.3
212.14349	9.1
220.11339	4.6
222.09215	4.6
226.12309	36.4
231.05135	7.9
236.10614	7.0
236.14325	5.5
238.12210	4.5
240.13857	18.8
240.17511	5.3
242.11868	4.0
250.08194	3.7
250.15688	4.9
254.11784	9.2
268.14102	5.5
268.16995	47.9
272.05502	3.8
274.07062	5.4
282.18768	4.3
286.07083	6.1
286.17981	7.6
287.05377	4.6
292.16907	6.8
310.17896	16.5
328.18997	11.9
376.19128	4.0
446.18405	4.6
480.19934	5.0
498.20859	13.0
498.27838	3.6
516.22705	5.9
516.30432	12.1
534.19226	11.9
534.41663	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	534.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.01859	0.7
55.05513	2.5
57.03424	1.1
61.02894	0.5
67.05492	0.7
69.03432	4.0
69.07054	0.5
70.06611	2.6
71.04983	0.9
71.99749	0.5
72.08151	0.7
75.04462	0.9
79.05501	4.8
81.03420	6.2
81.07037	1.5
83.04986	1.0
83.08620	0.7
83.85714	0.5
84.08120	0.6
85.02891	3.2
85.58179	0.6
86.06055	0.7
86.09698	1.4
87.00828	1.0
91.05484	4.8
93.07047	21.4
95.04970	1.7
95.08595	1.0
97.02881	2.1
100.11266	4.5
105.01818	0.5
105.07026	2.9
107.04969	0.7
107.08602	3.7
109.02871	2.6
109.06512	0.7
111.04454	0.7
111.08076	0.9
119.08570	1.3
120.08040	0.8
121.02847	0.5
121.06472	0.8
121.10137	19.6
123.08041	0.8
124.07659	0.5
126.09119	0.5
127.03923	2.3
131.08549	2.1
132.04440	5.4
137.05977	1.0
145.04913	0.9
147.11668	0.6
149.09619	11.3
159.02904	0.5
162.05472	0.6
166.08611	0.6
167.10622	1.6
178.04991	49.7
179.07103	0.6
182.15381	0.9
193.04965	0.7
198.03664	0.6
206.04488	100.0
207.04848	1.2
209.16515	1.5
210.14861	0.8
229.64133	0.7
259.62823	0.5
279.11569	0.5
287.05521	12.3
293.13937	3.1
299.05579	1.9
300.05823	1.4
311.14859	3.4
369.10587	0.8
372.11716	0.8
425.62878	0.5
510.64307	0.5
516.18683	5.8
534.18835	1.4
534.43768	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01885	0.8
55.05490	0.8
56.05015	0.6
57.03435	0.7
59.04987	1.1
60.04505	0.6
60.05656	0.6
62.06076	0.6
62.18599	0.4
65.03931	0.8
67.05485	1.7
69.03433	2.5
69.07071	0.6
70.06592	5.8
70.42159	1.4
71.04967	0.8
72.08131	1.5
74.06094	1.8
79.05490	6.2
81.03416	5.9
81.07056	7.4
83.01350	0.5
83.04980	0.7
84.04501	0.8
84.08123	1.2
85.02895	3.0
86.09708	1.8
86.77406	0.4
91.05486	4.2
93.03397	1.1
93.07043	14.7
94.07366	0.4
95.04942	1.2
95.08594	1.5
97.02906	2.4
97.06491	0.5
98.06068	0.6
99.04441	1.5
101.02367	0.5
105.03368	0.7
105.07028	2.1
106.06542	0.6
107.04944	1.6
107.08579	1.3
109.02883	2.7
110.07183	0.9
111.04430	1.6
115.03903	0.8
116.07093	3.0
119.04942	1.9
119.08569	0.9
120.08113	2.7
121.02858	0.5
121.06475	0.7
121.10144	8.9
123.08047	1.2
124.07568	1.2
125.05989	0.5
127.03934	1.9
128.07043	0.5
129.10216	0.5
131.04936	0.7
131.08533	1.6
132.04446	4.3
133.10159	0.7
135.04459	0.4
136.07582	1.1
137.05954	0.5
143.03352	0.5
144.06519	1.2
145.04971	1.0
145.10112	0.7
147.04427	2.9
147.07945	0.4
148.07523	0.5
149.09621	31.5
150.10008	0.9
160.03932	0.5
162.05547	0.7
162.09042	0.5
163.03946	1.0
167.07048	2.1
167.10681	5.3
168.07365	0.8
168.69792	0.4
175.03889	1.1
178.04994	50.7
179.05338	1.3
189.03880	0.8
190.08571	0.6
206.04483	100.0
207.04799	1.8
207.06572	2.1
209.08070	2.1
210.08418	1.5
213.09122	1.8
215.14287	0.4
233.15297	0.6
270.09753	0.5
286.14273	0.4
287.05475	0.5
293.13882	5.6
311.14862	4.2
372.11172	0.8
472.81183	0.4
473.19281	0.5
498.30017	0.5
516.18622	9.4
516.31201	0.7
522.26117	0.4
534.19391	0.5
534.32800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41173	0.6
53.03932	1.8
55.01857	1.7
55.05493	0.8
58.51958	0.6
62.32164	0.5
67.05488	1.4
69.03421	2.6
69.07066	1.2
69.32347	5.0
70.06586	3.0
72.08141	1.1
78.04704	2.1
79.05492	7.9
79.28445	0.5
80.98204	0.5
81.03404	2.7
81.07046	3.0
83.04955	0.9
84.08144	1.2
85.02901	4.5
85.06533	0.7
86.09682	1.2
89.07147	0.6
90.05562	1.0
91.05474	5.6
93.07065	1.5
95.04980	3.0
95.08595	1.3
97.02867	1.6
97.06500	0.8
98.20795	1.0
99.04424	1.3
103.05471	3.3
104.06240	0.9
105.03366	0.8
105.07035	8.0
106.04195	1.6
107.04950	13.1
107.08548	1.3
109.02888	1.4
109.06482	1.3
109.10189	0.6
115.03925	0.8
115.05476	4.5
116.06258	1.2
117.06992	2.1
118.04149	1.4
119.04942	2.2
119.08568	2.1
121.02845	1.2
121.06493	2.2
121.10178	0.8
122.03696	0.8
123.04436	5.5
123.08118	0.9
124.05235	3.5
124.60730	0.5
125.05979	1.4
127.03906	1.3
128.06213	2.0
129.06999	5.7
129.10252	0.7
130.04179	0.9
131.04919	2.9
131.08524	1.1
132.05688	2.3
133.06482	5.4
133.10083	1.0
135.04410	1.3
137.05974	1.7
141.06929	0.9
144.05669	1.0
145.06474	2.4
147.04398	3.2
147.08043	2.5
149.05981	1.7
151.03888	2.0
151.07571	0.7
152.04654	2.5
153.05464	2.1
155.07069	1.2
156.05693	1.6
157.06516	0.8
159.08076	6.5
159.11700	0.7
160.05157	1.4
160.07535	0.7
161.05966	10.1
162.09142	0.7
163.03978	0.7
163.07547	0.9
165.05441	0.7
167.07037	100.0
168.07344	1.0
169.06380	0.6
171.08061	1.2
172.05176	2.1
173.05983	0.7
175.06047	1.2
175.07545	22.2
176.04715	1.2
177.05453	2.1
177.09203	0.6
178.07828	0.9
179.07031	0.9
181.06639	0.6
181.08456	0.7
184.05141	0.7
187.07538	18.9
187.09204	1.2
189.07010	1.5
189.09077	2.0
190.07782	1.7
191.07021	7.9
191.08577	1.2
193.10150	0.7
195.08261	0.6
199.07529	7.9
201.05431	0.7
202.07817	2.0
203.08562	2.5
204.09470	0.7
205.06654	0.7
205.08485	0.9
205.10207	1.1
206.07283	2.4
207.06485	1.9
207.08115	1.3
209.08075	2.3
209.15585	0.8
215.08565	2.0
217.06602	0.9
217.08559	1.1
218.07285	2.5
219.08014	2.7
220.08752	0.6
220.11629	0.9
221.09703	3.2
221.12137	0.7
229.06464	0.6
231.08057	2.1
232.08755	1.5
233.09496	3.8
234.06750	2.7
235.07571	1.6
243.07973	0.9
246.06709	1.8
247.07581	1.5
248.08351	1.0
249.09122	3.6
250.09843	0.7
251.07111	1.2
259.07513	1.6
260.08316	1.6
261.09030	4.8
262.06216	0.7
263.06976	1.6
265.08640	0.9
266.09180	0.9
271.05966	0.6
273.09027	0.8
274.06268	0.7
277.08618	2.9
278.09283	1.9
279.06595	0.9
279.09952	0.7
281.11749	5.8
289.08585	4.3
290.09290	1.2
291.06705	0.8
291.09955	1.3
293.08575	0.8
293.11676	2.7
294.08923	1.2
299.05365	0.6
302.80115	0.7
306.08792	1.9
307.09589	1.6
309.11243	6.5
310.11945	0.9
311.09183	0.8
321.11240	9.1
322.12036	2.1
325.14438	1.2
326.11511	2.0
341.13794	17.8
342.14346	0.7
348.08420	0.7
348.12698	0.6
353.13858	12.0
371.11090	0.7
371.15143	1.1
397.04636	0.7
511.73657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.05507	0.8
57.03442	0.5
57.07070	0.9
67.05527	0.9
69.03438	2.2
70.04716	1.8
70.06583	1.7
72.08141	0.7
72.43528	0.4
72.85489	0.4
79.05507	0.9
81.03398	1.6
81.07057	1.1
83.04970	0.5
84.04474	0.4
84.08127	0.8
85.02912	1.5
85.06534	0.8
86.09702	0.8
87.00885	0.4
91.05468	0.8
93.07037	1.7
95.04965	0.7
95.08585	1.0
97.02888	0.8
97.06508	0.5
99.04462	0.8
105.03386	2.4
105.07029	1.2
107.04966	1.0
107.08571	1.2
109.02886	1.9
109.10170	0.9
115.05494	0.5
117.07047	0.4
119.04945	0.6
119.08550	0.7
120.08104	1.0
121.02834	0.8
121.06467	0.7
121.10168	1.3
126.44602	0.4
127.03922	1.9
129.06961	0.7
131.08551	0.5
133.10147	0.7
134.06006	0.4
136.07552	0.5
137.06050	0.4
143.08632	0.5
145.04886	0.4
145.10056	0.6
146.05949	0.4
147.04430	1.3
147.11707	0.7
151.03889	0.5
159.11594	0.5
164.07141	0.8
165.01839	1.0
167.07086	0.5
175.03889	0.5
176.07030	0.7
186.09186	1.9
187.09492	1.0
193.04944	0.6
195.02797	0.5
204.10251	1.0
205.10583	1.7
207.06512	1.0
217.05072	0.7
235.06192	0.6
269.07822	2.1
271.06000	0.6
281.08014	0.5
285.07874	0.8
287.05505	8.7
292.53510	0.4
297.04044	0.6
299.05441	4.4
311.09241	0.7
314.00760	0.5
315.05011	0.7
353.10147	0.7
353.13675	4.2
371.10715	6.3
371.14859	3.1
502.16653	0.5
515.16748	0.5
515.24445	2.3
533.19958	100.0
534.20044	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1651
Annotation	Styraxlignolide B
Peak:m/z	Relative Intensity
51.21217	0.5
55.01868	0.5
55.05482	0.6
57.03395	0.7
58.30928	0.5
60.04502	0.6
61.02895	1.1
63.36610	0.6
67.05495	0.9
69.03421	2.7
69.07039	0.8
69.87981	2.7
70.06270	0.5
70.06590	6.7
72.08160	2.6
74.57668	0.5
79.05461	0.9
81.03403	1.3
81.07037	1.1
84.04482	0.9
84.08118	1.4
85.02916	4.3
85.06501	0.5
86.09662	1.7
87.04442	0.6
91.05474	0.9
93.07015	0.8
95.04935	1.0
95.08639	0.7
97.02861	2.1
98.06014	0.7
98.20849	0.6
99.04442	0.7
105.03396	2.6
105.07018	0.9
107.04925	0.7
109.02850	1.1
112.08724	0.7
112.11222	0.7
113.17102	0.5
119.04900	1.8
120.08070	1.3
121.02848	7.7
121.06413	0.7
121.10107	0.7
122.03149	1.5
127.03902	2.0
128.07074	0.9
129.10208	0.6
131.04913	0.6
131.08521	0.9
133.10158	0.6
134.05957	0.6
135.08067	0.8
136.07512	1.3
137.05962	0.8
142.08720	0.6
145.02821	1.5
145.04921	0.8
146.05998	1.1
147.04408	1.4
160.07582	0.5
162.09030	0.7
163.03874	1.4
167.07010	1.0
167.10559	0.6
176.10750	0.9
177.05464	1.1
178.08617	4.9
179.08936	1.9
181.01277	2.6
181.04733	0.5
187.03784	0.8
207.06581	1.2
208.06798	0.8
210.15878	0.6
228.17137	1.0
250.19270	0.5
251.19440	0.5
253.04643	0.6
256.07251	0.7
271.05933	1.4
273.03873	2.7
279.08646	0.7
283.06070	2.7
284.06818	2.7
295.05997	1.1
297.03940	6.8
299.05496	100.0
300.05804	2.0
311.09079	1.3
315.04962	6.9
325.10681	4.7
353.10236	7.3
370.21341	1.9
371.11255	96.7
371.21191	7.1
372.11639	2.1
515.23450	0.6
533.18298	1.1
533.26355	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90113	0.1
55.01848	0.2
55.05495	0.2
59.05011	0.2
60.06805	0.2
61.02914	0.4
67.05509	0.3
68.99800	0.6
69.03427	0.9
69.07072	0.2
69.35723	1.4
71.01367	0.2
79.05467	0.3
81.03406	0.7
81.07043	0.4
84.08148	0.2
85.02910	3.6
91.03963	0.3
91.05478	0.6
92.99764	0.4
93.06995	0.4
95.08577	0.3
96.86906	0.1
97.02887	1.0
97.06530	0.2
99.04449	0.2
103.42977	0.2
105.07021	0.2
107.01349	0.2
107.08574	0.3
109.02882	0.5
109.10135	0.2
117.07042	0.2
119.04959	1.1
119.08572	0.2
121.02888	1.7
127.03926	1.0
131.04906	0.4
133.10143	0.2
145.02855	0.6
145.04961	1.3
145.10144	0.3
147.04388	0.4
147.11530	0.2
163.03928	3.6
167.07036	0.2
178.99808	0.7
181.01329	6.7
187.03917	1.5
197.00841	1.0
199.02412	0.2
229.04881	0.2
231.02797	0.3
245.04443	0.4
253.04996	1.6
255.02757	0.3
269.04428	0.5
271.05811	0.8
273.03946	3.7
283.05817	0.2
285.07770	0.2
285.14905	0.4
295.06219	0.2
297.03958	6.5
298.04367	0.2
298.35242	0.2
299.05496	100.0
300.05847	1.6
308.56186	0.2
311.05664	0.4
311.09155	0.4
315.05014	6.5
315.08691	0.3
316.05438	0.2
325.10660	0.4
325.21649	0.3
353.10251	1.3
371.11160	1.8
533.16370	1.6
546.54755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.3
55.05486	0.3
57.03382	0.2
61.02910	0.2
67.05458	0.5
68.99474	0.1
68.99801	0.3
69.03425	1.2
69.07030	0.2
70.05022	0.1
70.06575	0.3
71.04964	0.3
71.53500	0.3
79.05453	0.4
81.03387	0.5
81.07057	0.7
85.02448	0.2
85.02898	2.3
85.06521	0.1
86.09679	0.2
91.05448	0.5
92.99744	0.4
93.07018	0.3
95.04915	0.3
95.08582	0.3
97.02844	0.7
97.06512	0.2
97.85115	0.2
99.04436	0.2
105.06989	0.4
107.08582	0.3
109.02824	0.4
109.06509	0.2
109.10091	0.2
117.52310	0.2
119.04936	0.8
119.08604	0.3
121.02859	1.7
121.06441	0.3
121.10120	0.2
127.03912	0.9
131.04895	0.3
131.08487	0.2
133.06451	0.2
133.10117	0.2
135.04378	0.2
137.05927	0.2
139.00175	0.2
145.02832	0.5
145.04906	0.3
145.06529	0.1
145.10086	0.2
147.04391	0.2
149.05977	0.2
149.09612	0.2
153.01796	0.2
157.06456	0.1
157.10109	0.2
159.04443	0.2
159.07997	0.2
161.05931	0.2
163.03896	2.0
163.11147	0.2
165.01830	0.3
165.05530	0.2
167.07010	0.3
169.06628	0.1
171.04411	0.2
171.08020	0.2
171.11632	0.2
172.08376	0.2
173.09608	0.2
177.05446	0.2
178.99789	0.4
181.01321	5.8
183.02863	0.2
185.09492	0.5
186.09915	0.3
187.03883	0.7
189.09108	0.4
190.09363	0.5
191.06938	0.2
197.00763	0.5
199.02388	0.2
200.11566	0.2
201.09097	0.7
202.09378	0.6
203.09669	0.2
207.06549	0.4
213.09087	1.1
214.09363	1.4
215.09590	0.8
216.10085	0.2
227.14299	0.3
228.10968	0.3
228.14580	0.6
229.14935	0.3
237.12793	0.3
238.13029	0.5
241.11882	0.3
253.04968	1.1
255.02892	0.3
255.13759	2.5
256.07285	0.3
256.14136	4.7
257.14389	2.8
258.14706	2.1
269.04343	0.4
270.15619	0.2
271.05984	1.7
273.03888	2.6
274.15012	0.3
275.15295	0.2
283.05939	2.2
284.06750	2.2
285.07431	0.2
295.06018	0.6
297.03961	8.0
297.07486	1.1
297.14618	0.3
298.04227	0.2
298.15176	0.7
299.05472	100.0
300.05832	2.6
300.15781	0.5
309.03946	0.2
311.05429	0.4
311.09137	0.7
315.04959	8.8
315.15817	1.4
316.05344	0.3
316.16226	4.2
317.16434	2.6
318.16797	3.8
318.20462	0.1
325.10687	7.4
326.10928	0.4
335.09097	0.3
336.17615	0.2
353.10165	8.1
354.10687	0.2
363.08524	0.4
371.11218	59.2
372.11530	1.7
461.10681	0.7
515.15100	0.2
515.24866	0.2
533.16498	24.7
534.16870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13303	0.6
53.03936	1.8
53.78020	0.7
53.79414	0.7
55.01868	1.5
55.05510	1.6
55.08864	0.6
56.05035	1.2
57.03429	1.0
58.87533	0.7
60.04525	0.8
61.02938	1.1
67.05496	2.0
68.99809	1.0
69.03439	4.1
69.07071	1.3
70.06593	8.6
71.05004	1.0
71.53034	1.4
72.08162	3.8
79.05482	1.6
79.84970	0.6
81.03420	4.4
81.07060	2.7
84.04467	1.3
84.08138	2.6
85.02911	7.4
85.06548	1.0
86.09693	3.2
91.05482	3.4
93.07024	2.9
93.68464	0.7
95.04986	1.9
95.06081	0.8
95.08588	2.5
97.02918	3.5
97.06552	1.7
98.06076	0.9
99.04451	2.0
105.03388	0.8
105.07027	2.4
107.04974	1.5
107.08604	1.3
109.02882	3.1
109.06512	1.2
109.10149	1.2
110.05923	0.7
110.07164	1.5
111.04474	1.0
115.04058	0.8
116.07121	1.2
119.04977	3.6
119.08576	1.4
120.08101	1.6
121.02866	6.3
121.06552	0.9
121.10127	2.2
123.04394	1.1
123.08103	1.0
127.03888	2.9
129.10240	1.6
131.08551	0.7
133.10126	1.2
135.04442	1.6
136.07527	1.0
137.05988	2.1
140.07042	1.0
145.02779	1.2
145.04881	0.7
145.10152	0.7
146.06062	1.2
147.04407	5.4
147.06404	0.7
147.08044	1.4
147.11719	0.7
151.03883	1.2
155.08351	0.7
155.88826	0.7
159.11581	1.1
162.05511	1.2
163.03932	2.3
167.07068	2.6
173.06094	0.7
175.03912	1.8
177.05428	1.6
181.01283	2.3
183.11554	0.7
187.04004	1.2
198.21870	0.7
201.05618	1.1
201.12384	0.7
206.04523	0.9
207.06564	3.8
271.05869	3.3
273.04013	2.3
283.06042	3.1
284.06866	3.0
295.06082	1.1
297.03949	8.7
299.05515	100.0
300.05814	2.1
311.09079	3.9
315.04996	9.1
325.10672	7.7
335.09308	1.0
353.06082	1.0
353.10242	11.5
371.11255	99.4
372.11655	2.5
533.19153	3.0
533.26306	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97597	0.2
57.03415	0.6
61.02893	0.6
63.39713	0.3
67.01833	0.2
67.05459	0.3
67.28407	0.3
68.99792	0.6
69.03425	2.0
69.30497	2.6
71.04987	0.4
73.02916	0.5
81.03387	1.0
85.02900	3.0
87.04424	0.5
91.05451	0.6
92.99751	0.4
93.07022	0.4
95.08582	0.3
97.02887	1.3
99.04408	0.5
105.07021	0.4
109.02890	0.4
119.04954	1.3
119.08554	0.4
121.02867	3.2
127.03857	1.0
145.02861	0.8
145.04961	0.4
153.01799	0.6
163.03902	4.8
165.01820	0.5
166.67995	0.3
167.06989	0.3
177.05487	0.4
178.99713	0.9
181.01314	4.7
183.02881	0.4
187.03908	1.2
191.06985	0.3
197.00819	1.1
207.06454	0.4
217.04913	0.3
231.02774	0.5
234.60123	0.3
235.06175	0.3
245.04463	0.5
247.10320	0.3
253.04938	1.6
255.02957	0.5
255.06480	0.7
256.07312	0.8
261.92407	0.3
269.04443	0.8
271.06067	2.2
273.03937	4.4
283.06003	5.1
284.06808	4.5
285.07611	1.8
295.05991	3.2
295.09137	0.5
297.03964	12.4
297.07434	0.9
298.04510	0.4
299.05496	100.0
300.05841	2.1
308.06735	0.4
309.07529	0.6
311.05563	0.6
311.08972	3.4
313.07077	1.0
315.04971	9.9
316.05225	0.4
323.09167	0.5
325.10718	8.1
326.10947	0.4
327.08755	0.7
335.09082	1.1
337.10681	9.8
353.10187	26.3
354.10513	1.0
355.11990	0.4
370.13116	0.4
371.11237	8.9
372.11783	0.4
393.09555	0.3
515.15613	0.9
533.16547	65.7
534.16876	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	533.1656
Annotation	Styraxlignolide B
Peak:m/z	Relative Intensity
52.38432	0.2
53.03933	0.4
55.01857	0.5
55.05499	0.3
57.03418	0.5
58.76678	0.2
58.90659	0.2
60.52639	0.2
61.02906	0.6
67.05470	0.6
68.99792	0.5
69.03436	2.5
69.07056	0.3
70.06565	0.3
71.04978	0.4
73.02879	0.3
74.09708	0.2
75.68512	0.2
79.05477	0.3
81.03420	1.3
81.07037	1.0
83.04976	0.5
83.08544	0.2
84.08110	0.4
85.02451	0.3
85.02910	3.6
86.09657	0.3
87.04437	0.3
91.05446	0.8
93.07028	0.9
95.04964	1.2
95.08587	0.5
97.02878	1.1
97.06561	0.3
98.21556	0.4
99.04426	0.3
105.06992	0.7
107.04913	0.6
107.08567	0.6
109.02882	1.1
109.10149	0.3
111.04386	0.3
119.04913	0.8
119.08556	0.4
121.02866	4.1
121.10126	0.3
123.04465	0.3
123.11665	0.4
127.03879	1.0
127.11201	0.3
131.08536	0.4
133.02812	1.0
133.06526	0.3
133.10086	0.3
135.04445	0.3
135.11667	0.3
137.05946	0.3
145.02843	0.4
145.04939	0.5
145.06454	0.3
145.10092	0.6
147.04411	0.4
147.08003	0.3
147.11659	0.2
148.05135	0.2
149.07449	0.3
151.03918	0.5
157.06482	0.3
157.10004	0.3
161.05940	0.3
161.09642	0.3
163.03882	1.8
167.07007	0.6
171.07980	0.3
173.05933	0.5
173.13235	0.3
175.03935	0.4
177.05458	0.5
177.09042	0.3
179.03427	0.4
181.01320	1.9
181.06474	0.3
185.05945	0.3
186.09108	0.6
187.03822	0.5
187.09364	0.6
189.05482	0.5
191.07024	0.3
195.59877	0.2
199.14905	0.3
201.05467	1.1
203.03334	0.3
204.10204	1.0
205.10452	0.6
207.06529	0.6
213.05450	0.4
215.07004	0.3
217.04956	0.3
219.06364	0.3
229.04959	0.3
253.04939	0.6
255.06548	1.6
255.13887	0.4
256.07199	0.5
261.12625	0.4
269.04434	0.3
271.05948	2.0
273.03943	2.3
273.14874	1.8
283.05948	2.0
284.06766	2.9
287.05368	0.5
291.15875	0.4
292.07306	0.7
295.05927	1.0
297.03928	6.9
297.07278	0.3
298.04572	0.3
299.05484	100.0
300.05856	2.3
309.07394	0.5
311.05582	0.5
311.09171	1.2
315.04968	6.5
321.07770	0.4
325.06882	0.5
325.10669	5.7
326.10831	0.4
335.09134	2.9
337.07007	2.5
338.07797	1.0
353.10181	22.7
354.10654	0.7
371.11243	83.6
372.11600	2.2
515.24707	0.7
533.16492	21.5
534.17053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1656
Annotation	Styraxlignolide B
Peak:m/z	Relative Intensity
53.12729	0.3
55.05503	0.6
56.85924	0.3
67.05478	0.6
68.99785	0.5
69.03419	0.7
69.07068	0.3
70.06586	0.5
72.08143	0.3
81.03381	0.5
81.07072	0.4
85.02877	0.7
91.05463	0.7
92.99771	0.5
93.07018	0.8
97.02853	0.3
98.21502	0.8
98.36954	0.3
108.48547	0.3
109.02871	0.6
119.04927	1.3
119.08589	0.5
121.02863	1.7
127.03925	0.4
145.02824	0.4
145.06445	0.6
156.07773	0.4
163.03925	3.0
165.01689	0.4
166.97198	0.3
181.01314	3.5
187.03897	1.0
242.05713	1.4
242.08096	0.3
244.06129	0.9
245.06488	0.4
253.04964	0.9
267.15576	0.4
269.04538	0.5
270.05029	1.5
271.05939	1.4
272.05548	0.7
273.03693	3.2
273.06415	0.5
274.06711	0.4
283.05923	2.0
284.06677	0.6
285.07559	10.3
286.07904	0.5
295.05975	0.4
297.03928	11.0
299.05490	100.0
300.05887	1.6
311.05524	0.9
315.04956	11.8
325.06891	0.5
325.10699	9.4
353.10199	9.7
370.12827	0.8
371.11206	49.3
372.11551	1.0
381.64566	0.4
390.74304	0.3
461.10510	0.9
533.16467	17.7
534.16461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
57.03421	0.4
61.02877	0.3
67.05482	0.5
68.29016	0.3
68.99770	0.6
69.03432	1.6
69.07042	0.4
70.06573	0.5
72.08150	0.3
73.02914	0.3
79.05474	0.5
81.03398	0.9
81.07021	0.6
85.02916	2.0
87.00769	0.3
87.04470	0.3
91.05459	0.9
92.99773	0.3
93.07038	0.4
95.08583	0.6
97.02869	0.8
99.04455	0.4
105.07021	0.3
107.08559	0.7
109.02892	0.5
117.83733	0.3
119.04942	1.7
119.08491	0.4
121.02860	2.5
121.10107	0.6
127.03902	0.8
131.04910	0.4
137.06030	0.6
143.28607	0.3
145.02855	0.6
145.04936	0.3
151.03790	0.3
153.01813	0.4
163.03906	4.5
165.01776	0.6
167.07077	0.4
173.09578	0.3
178.99779	1.1
180.99916	0.5
181.01341	5.0
187.03874	1.8
189.05417	0.3
197.00775	1.5
203.60291	0.3
207.06725	0.7
217.05003	0.5
219.06512	0.3
235.05968	0.3
253.05009	1.4
256.07291	0.5
269.04495	0.8
271.05966	2.0
273.03900	4.0
283.06015	3.2
284.06708	2.6
285.07715	0.6
295.05942	2.7
297.03955	11.2
297.07150	0.4
298.04291	0.6
299.05493	100.0
300.05853	2.6
309.07678	0.6
311.05499	0.7
311.09152	2.5
313.07101	0.3
315.04974	9.0
316.05249	0.4
323.09003	0.5
325.10687	6.4
335.09140	0.9
337.10678	2.5
353.10205	13.5
354.10440	0.4
371.11237	11.5
515.15271	0.4
522.40509	0.4
533.16498	56.9
534.16687	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	533.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85370	0.5
53.03939	1.3
53.83702	0.5
55.01865	1.5
55.05509	0.7
57.03433	1.3
61.02909	1.7
65.03922	0.9
66.72197	0.5
67.05508	1.1
68.99783	2.6
69.03413	2.3
69.07058	1.0
70.06573	2.4
70.28941	1.2
70.29337	1.1
73.02924	0.6
79.05469	1.2
81.03407	3.4
81.07042	1.5
82.53487	0.5
83.16074	0.5
84.04514	0.6
85.02905	8.9
86.09712	0.8
87.00819	2.3
91.05482	3.0
93.03421	0.8
93.07030	1.3
95.04962	1.6
95.08565	1.2
97.02901	1.2
97.06532	0.5
99.04449	0.8
103.03894	0.7
105.03397	1.3
105.07018	1.4
107.04955	1.0
107.08606	1.4
109.02853	2.5
109.06521	1.2
115.05429	0.7
117.07052	0.5
119.04938	2.2
119.08559	1.6
121.02858	2.4
121.06495	0.8
121.10138	0.9
123.04427	0.5
123.08015	0.7
127.03898	1.8
129.01831	1.5
131.04929	0.7
131.08575	0.8
132.05713	0.5
133.02876	1.1
133.06488	5.9
133.10141	0.8
135.04416	10.4
137.02322	0.6
137.05984	1.2
141.01833	1.5
143.08507	0.9
145.04993	0.6
145.06519	0.8
145.10158	1.2
147.02972	0.6
147.04399	1.4
147.11659	0.6
149.02299	2.5
149.09613	0.7
151.03984	0.7
153.01810	0.8
159.04417	4.0
161.13367	0.6
163.03917	3.0
165.01830	14.0
166.02534	0.8
167.03398	4.5
167.07132	1.0
171.08075	0.7
173.13243	0.5
177.01822	1.6
177.05518	3.3
179.03421	0.9
181.01260	1.9
181.05035	0.9
183.02895	7.3
187.03902	2.7
189.01727	0.9
190.02634	0.7
191.03397	0.8
195.02829	4.0
197.00662	0.5
201.05553	1.4
205.04984	2.1
207.02791	0.8
207.06532	1.0
213.09012	0.8
215.03421	1.9
233.04463	1.7
242.05685	1.3
243.02916	2.0
243.06396	1.6
253.08627	1.5
255.06517	1.2
255.13889	0.8
256.07294	1.5
261.03989	1.3
266.05746	3.8
266.09167	0.9
269.08115	1.2
270.05164	0.9
270.08777	1.6
271.06064	4.0
273.03946	0.9
280.07303	7.7
281.08090	9.9
282.05313	1.3
283.06033	2.1
284.06787	8.7
285.07571	9.9
291.10269	0.6
293.08102	3.8
294.05222	2.8
294.08881	3.2
295.06293	1.0
295.09601	9.3
297.07550	67.3
298.08331	10.6
299.05508	37.7
299.08704	1.4
304.07147	1.0
308.06821	4.5
309.07565	16.1
309.11203	5.5
311.05560	1.5
311.09122	6.3
312.06271	1.4
315.04965	3.4
319.09607	5.5
321.07623	4.6
322.08350	8.1
323.05655	1.4
323.09103	25.9
325.06931	2.1
325.10672	2.9
327.08618	100.0
328.08981	1.7
332.06967	0.6
333.07382	1.1
335.09116	1.1
337.07123	1.4
337.10678	30.0
338.10962	0.8
341.10010	0.7
347.09137	11.1
349.07114	1.6
350.07907	0.7
351.08621	51.9
352.08978	1.1
353.10046	3.7
363.08514	0.7
365.10184	7.1
371.11163	21.0
375.04044	1.1
375.08621	14.3
378.07260	0.7
381.09613	2.4
393.09665	63.1
394.10120	1.5
411.10718	7.3
429.11765	4.5
435.10919	1.0
453.11792	5.0
471.12723	1.0
479.09595	2.3
497.10809	35.7
498.10422	0.6
515.11902	10.2
533.16711	9.1
533.29761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.3
53.03926	0.7
55.01871	0.6
57.03403	0.9
57.07051	0.9
61.02915	0.9
65.03910	0.3
67.05476	0.5
68.99767	1.2
69.03397	1.1
69.07027	0.6
69.24706	3.3
70.06557	1.1
71.04984	0.3
76.29240	0.3
79.01820	0.8
79.05460	0.7
79.93288	0.3
80.92664	0.4
81.03415	2.7
81.07029	0.5
85.02441	0.4
85.02906	4.6
86.09685	0.5
87.00796	0.6
90.60966	0.3
91.05437	0.9
93.07016	0.7
95.04961	0.8
97.02855	1.0
99.04425	0.5
103.03890	1.4
105.06968	0.6
107.08559	0.5
109.02885	1.8
109.10126	0.4
115.05479	0.4
118.04217	0.3
119.04922	0.4
120.14346	0.3
121.02830	1.4
121.06507	0.5
121.10026	0.3
123.04353	0.4
125.02387	0.5
125.05935	0.8
127.03861	0.9
129.01791	0.7
133.02834	0.7
133.06487	4.7
134.07231	0.9
135.04414	17.4
135.05400	0.6
137.02319	0.5
138.03110	0.6
141.01781	0.9
143.11691	0.3
145.04942	0.3
145.37105	0.3
147.04433	0.6
149.02303	0.6
151.03804	0.3
153.01770	1.5
153.31931	0.3
159.04375	2.4
159.08051	0.4
161.02235	0.3
161.05927	0.4
163.03880	0.7
165.01837	8.1
167.03435	0.4
167.07097	0.6
171.02875	0.6
171.08012	0.5
175.03877	0.8
177.01859	1.0
177.05420	0.7
179.03351	0.7
183.02902	3.3
187.03836	0.6
189.01794	0.7
191.03427	0.9
195.02911	2.1
201.05450	1.1
201.09117	0.3
205.01260	0.5
205.04936	0.5
207.02887	0.5
207.06505	0.8
209.04224	0.5
211.07527	1.0
213.05496	0.4
215.03183	0.5
217.04900	0.8
219.02882	0.8
221.05995	0.4
225.09056	1.0
227.07025	2.8
229.10645	0.5
233.04506	0.5
239.07025	0.5
241.08678	1.2
242.05612	0.6
242.09341	0.6
243.02917	1.0
252.07698	0.5
253.08562	0.5
254.05759	0.8
255.06538	0.8
255.13763	1.1
256.07300	4.1
257.08026	1.2
261.04034	1.5
266.03241	0.4
266.05664	2.2
267.06509	0.8
268.07355	1.8
269.08072	4.6
270.05295	1.0
270.08838	6.8
277.08932	0.5
279.06525	0.3
280.07437	1.6
281.08170	1.9
282.05209	2.1
282.08676	0.8
283.06049	0.4
283.09656	0.3
284.06772	2.5
285.07526	6.1
287.05505	14.0
288.05890	0.4
293.08060	1.2
294.05142	1.6
294.08875	1.1
295.06439	0.4
295.09625	0.8
296.06772	2.1
297.07571	62.4
298.08334	26.1
298.13300	0.5
299.05637	0.6
299.08939	1.3
303.08621	0.6
307.09668	0.4
308.06812	1.3
309.07556	31.1
310.07739	0.7
311.09137	14.3
312.06329	2.7
313.06970	0.8
319.09628	0.7
321.07690	2.2
322.08383	2.0
323.09058	4.4
324.06357	0.3
325.07141	3.5
325.10608	0.6
327.08621	100.0
328.08997	1.1
330.07333	0.6
335.08936	0.9
336.06348	0.6
337.07001	1.9
337.10690	7.7
339.08612	4.7
341.10168	1.5
347.09152	1.9
348.10110	0.4
349.07010	0.5
351.08621	15.9
355.08282	0.8
357.09647	5.4
363.08609	0.7
365.10193	3.0
369.09689	1.5
371.11099	0.3
375.08630	3.5
377.10318	0.6
381.09695	1.1
383.11334	0.4
393.09686	8.7
411.10760	5.3
429.11758	3.1
435.10565	0.6
447.12753	2.6
453.11853	11.9
471.12827	7.6
479.09692	0.9
489.13849	3.9
497.10721	5.9
515.11853	13.8
533.12891	31.3
534.13214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02344	0.7
53.03933	1.1
55.01870	1.7
55.05510	1.6
57.03434	1.4
61.02919	1.9
67.05499	2.5
68.99784	3.1
69.03413	3.3
70.06579	2.9
71.53304	1.3
73.02890	0.9
75.26661	0.8
78.31802	0.7
79.05484	2.2
81.03409	3.6
81.07058	2.3
85.02898	9.0
86.09686	1.0
87.00817	3.4
91.05476	4.5
93.07040	1.4
95.04946	1.8
95.08604	1.4
97.02886	1.5
97.06526	1.5
99.04475	1.7
103.03940	1.3
104.75928	0.7
105.03384	1.4
105.07015	3.3
107.04947	0.9
107.08588	1.9
109.02882	2.7
109.06557	1.0
109.10152	2.0
117.06986	0.9
119.04941	1.8
119.08569	1.5
121.02875	3.0
121.10172	1.5
127.03944	1.9
129.01817	1.3
129.07019	1.2
131.04959	1.2
133.02800	1.0
133.06470	5.9
133.10153	1.0
135.04422	9.0
135.11671	1.1
137.06021	1.4
141.01811	1.3
145.06528	1.2
147.04333	1.0
149.02350	2.7
149.09637	1.0
151.03929	1.4
153.01814	1.1
159.04416	4.1
159.11774	0.8
163.03914	3.7
165.01840	12.0
166.02623	0.9
167.03416	4.2
167.06987	1.7
171.11652	1.0
173.09685	0.9
175.03920	1.2
176.01299	0.8
177.01868	1.2
177.05492	3.5
181.01271	2.7
181.04959	1.5
183.02960	6.5
187.03862	3.1
191.03435	1.3
195.02893	3.6
201.05449	2.4
205.04968	2.4
207.06494	1.7
215.03395	1.9
233.04369	1.1
243.02895	1.1
243.06473	1.9
252.07922	1.5
253.08606	1.3
254.05614	1.1
255.06398	1.4
256.07111	1.5
261.03995	1.7
266.05731	3.4
267.06631	0.8
269.08102	1.0
270.05286	1.9
270.08728	0.9
271.06055	7.8
280.07230	7.4
281.08035	10.4
282.05185	1.0
283.06006	3.2
284.06815	9.0
285.07574	11.6
293.08231	4.2
294.05234	2.6
294.08850	3.6
295.06238	1.5
295.09555	9.7
297.04074	3.3
297.07547	67.3
298.08292	11.9
299.05469	44.9
304.07239	1.3
308.06711	5.2
309.07544	16.7
309.11203	5.0
311.05710	1.4
311.09119	4.9
312.05984	1.2
315.04898	5.1
319.09573	4.8
321.07675	4.2
322.08310	7.7
323.05774	1.9
323.09128	30.6
325.07050	1.5
325.10590	3.8
327.08615	100.0
328.08939	2.0
332.06656	1.1
335.08966	1.1
337.06766	1.9
337.10681	31.1
347.09146	11.9
350.08035	1.3
351.08606	47.7
352.09024	1.0
353.10190	4.1
365.10043	5.9
371.11075	22.6
375.08548	13.9
381.09595	2.6
393.09656	61.5
411.10687	7.0
429.11871	3.3
435.10446	1.1
453.11948	4.4
461.09695	1.0
479.09607	3.2
497.10724	34.4
515.11780	12.0
517.10370	1.0
533.16736	11.3
533.28247	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1294
Annotation	Apigenin 7-methyl ether 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.02387	0.3
53.00308	0.2
53.03937	0.7
55.01873	4.3
55.05513	0.3
57.03434	0.3
57.07050	0.2
59.05005	0.8
60.31749	0.2
65.03929	0.3
67.05486	0.5
67.31169	0.1
68.49068	0.2
68.99773	2.2
69.03428	2.2
69.07059	0.4
70.06577	0.6
71.04995	0.3
71.52838	0.2
73.02903	0.3
79.01858	1.4
79.05489	0.4
81.02991	0.3
81.03417	3.4
81.07056	0.9
85.02915	2.3
87.00842	0.9
91.05474	0.8
92.99753	1.1
93.07065	0.8
95.04954	0.4
95.08597	0.5
97.02373	0.2
97.02903	2.3
97.06530	0.3
99.00806	1.4
99.04459	0.5
103.05483	0.2
105.01864	0.5
105.03399	0.8
105.07025	0.6
107.04970	2.1
107.08572	0.7
109.02867	2.3
109.06521	0.3
109.10141	0.4
110.07103	0.2
111.00841	0.2
115.03949	0.2
117.01862	0.2
119.04921	0.5
119.08566	0.5
121.02872	0.6
121.06513	5.0
121.10151	0.4
123.00829	0.4
123.11662	0.2
123.68732	0.2
127.03922	2.6
129.01857	0.2
131.08543	0.3
133.06488	0.2
133.10117	0.5
135.04390	0.5
135.11685	0.2
137.02338	3.0
137.05937	0.4
141.01836	8.7
145.04987	0.9
145.10098	0.4
147.02870	0.3
147.04401	1.6
147.11703	0.3
151.03949	0.2
155.03380	0.7
155.08502	0.2
157.10129	0.4
159.02872	0.7
162.09108	0.2
163.03871	0.6
165.01837	88.4
166.02162	0.8
167.07062	0.5
169.10214	0.2
173.05952	0.2
173.13251	0.2
175.03873	0.2
176.10727	0.3
177.05432	0.5
179.03439	1.5
183.02893	100.0
184.03259	1.1
189.05563	0.2
191.03400	4.8
191.10658	0.2
206.04507	0.4
207.02869	0.5
207.06500	0.5
231.04903	0.3
231.46419	0.2
243.06482	1.1
251.01865	0.2
271.06082	0.2
279.02567	0.2
283.06061	0.2
285.07571	87.9
286.07932	1.7
299.05545	2.3
315.05045	0.3
327.08652	1.1
337.19022	0.5
359.33627	0.2
371.07162	0.4
371.11166	0.6
395.05960	0.2
447.12613	0.4
482.99698	0.2
515.11316	0.3
532.35760	0.2
533.12469	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	532.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
55.05499	1.3
61.02919	1.2
67.05498	2.5
68.71951	1.1
68.99744	1.2
69.03414	2.3
69.07069	15.2
70.06579	4.1
71.53465	1.9
79.05486	2.2
81.03413	4.3
81.07040	4.1
83.04979	1.1
84.08133	1.3
85.02908	5.9
85.03352	1.2
86.09656	1.7
91.05478	4.6
93.07052	2.1
94.89097	1.1
95.04955	1.2
95.08598	3.2
99.04436	1.3
103.05431	1.4
105.03361	1.5
105.07025	1.4
107.04980	2.1
107.08613	2.1
109.02854	1.4
109.10143	1.9
119.04946	2.7
119.08604	2.5
121.02873	2.8
121.06503	1.5
123.11617	1.1
127.03928	2.4
129.69360	1.3
131.04904	2.1
133.06488	1.2
133.10164	2.2
134.05986	2.7
135.04402	7.2
135.11705	1.7
137.05939	3.9
145.05049	1.3
147.03252	1.9
147.04408	30.6
147.08046	2.7
149.05952	1.5
151.03918	1.8
157.10066	1.6
159.11650	1.4
161.05984	9.9
161.09683	1.8
161.13217	1.4
162.05510	1.6
163.03842	1.6
167.06976	2.4
174.06685	1.2
175.07550	1.7
177.05447	8.0
181.01259	3.6
187.07509	1.4
189.05508	12.0
189.09103	100.0
190.09383	2.1
197.09653	1.3
199.07375	1.4
203.10715	2.2
207.06508	4.5
207.10199	3.0
215.10677	3.7
219.06435	1.6
231.10138	9.2
243.10172	4.6
244.06039	17.9
249.11212	57.0
250.11581	2.8
257.15314	3.9
259.04819	2.1
261.11240	13.9
263.12903	1.5
266.15289	1.7
267.12170	3.3
271.06000	2.1
272.05539	11.1
273.03619	2.0
273.06393	2.8
274.07068	3.7
279.12192	5.6
297.03909	4.6
299.05487	54.8
315.04938	6.6
317.17398	14.6
325.10651	4.3
353.10071	5.2
353.43729	1.2
370.12891	50.1
370.17502	2.9
371.11011	19.4
481.71786	1.3
497.60019	1.3
532.17944	3.7
532.35272	2.2
533.16553	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	532.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63163	0.2
53.03941	1.8
55.05513	0.6
56.05034	0.8
57.03436	0.3
58.06598	0.7
67.05499	0.8
69.03429	1.4
69.07076	0.4
69.32313	0.5
69.32716	2.0
70.06591	2.2
72.08155	1.5
73.02895	0.3
74.06068	0.3
77.03928	0.6
79.05501	0.8
81.03411	1.0
81.07052	0.9
84.08151	2.6
85.02887	1.4
86.09698	0.7
87.00842	0.4
91.05479	1.1
93.07036	0.7
95.04967	3.1
95.08595	0.7
97.02888	1.1
98.09691	0.9
99.04445	0.5
105.03391	100.0
105.07016	1.1
106.03732	0.6
107.04919	0.4
107.08611	0.8
109.02871	1.0
110.06070	0.3
110.09679	6.5
110.10413	0.5
112.11238	0.5
116.07104	0.7
119.04955	0.9
119.08581	0.8
120.08126	0.4
120.09968	0.2
121.02900	0.5
121.06539	0.4
121.10156	0.4
122.06017	0.9
125.14420	0.3
127.03908	1.1
127.12315	0.5
128.07121	0.4
131.08606	0.4
133.10051	0.3
134.06027	4.3
135.04367	0.5
137.05983	0.7
138.08998	0.3
145.06471	0.4
145.10144	0.6
147.04420	0.5
148.07607	1.4
151.03934	0.4
159.11644	0.4
161.09557	0.4
161.10760	0.5
162.09140	54.0
163.09515	0.4
164.25179	0.3
165.01831	0.4
167.07103	0.4
174.09142	5.9
175.03908	0.6
176.10709	8.1
183.02834	0.4
191.11845	1.9
193.04944	0.4
205.13394	0.9
207.06537	1.0
219.14845	1.7
231.14949	5.0
244.06052	0.9
255.13876	1.0
259.40619	0.3
271.05960	0.9
272.05505	0.6
283.06107	0.4
285.07599	0.8
286.07034	0.7
295.05988	0.7
297.04291	0.4
297.07578	1.1
299.05392	2.1
309.07330	0.4
311.09106	3.6
323.09189	0.3
325.10739	0.3
327.08694	0.4
337.18918	0.4
353.10098	2.7
354.21765	16.1
370.12943	2.3
370.21246	32.6
371.11154	0.4
371.21390	0.6
393.09827	0.3
411.10605	0.3
514.24860	0.6
532.17719	0.6
533.15405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	15.4
61.28307	13.9
67.05490	59.4
69.03433	19.8
69.07045	16.1
69.29971	100.0
69.30378	27.1
81.07047	46.5
83.08596	14.8
85.90067	14.1
87.04472	48.8
91.05444	23.0
93.06995	45.7
95.04958	38.2
95.08588	47.3
98.20800	35.9
105.07012	34.6
107.04978	17.6
107.08586	25.6
109.10159	16.3
119.08599	22.7
121.10113	21.9
123.11674	17.5
127.05398	13.2
133.10095	35.4
135.11670	19.3
157.66617	15.0
159.11673	21.7
159.66241	17.4
161.13168	24.8
192.60883	14.2
198.62000	17.9
247.39110	15.1
247.97542	14.2
258.31174	14.1
261.34933	14.2
263.77493	20.4
288.72467	15.0
313.25363	34.5
381.27835	49.3
415.52951	15.7
530.39215	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.5
55.05512	14.9
57.03424	5.5
58.06586	3.5
59.04988	3.1
67.05505	36.7
69.07066	12.5
69.46093	4.9
69.46519	11.6
71.04974	5.0
75.73311	1.8
79.05502	26.5
81.03419	19.2
81.07058	45.9
83.04981	9.4
83.08609	9.2
85.02902	4.4
86.09647	3.0
91.05477	19.4
93.06496	2.3
93.07047	32.7
95.04964	9.4
95.08616	19.9
96.61112	2.2
97.02879	3.4
97.06514	8.8
97.10168	5.0
98.09666	3.4
105.07040	13.0
107.04957	9.6
107.08611	22.7
109.06519	4.8
109.10140	8.1
111.04427	3.3
111.08066	2.4
116.59242	1.9
117.07001	6.8
117.14048	2.3
119.08590	10.4
121.06517	3.9
121.10141	13.9
123.08054	4.5
125.09612	3.8
129.06970	2.8
130.06552	1.9
131.08563	6.7
132.08029	2.4
133.06464	2.8
133.10098	7.0
135.08040	2.7
135.11682	9.2
143.08577	2.5
145.10135	9.8
147.07986	2.6
147.11664	3.9
149.09682	3.2
149.13217	7.8
153.12738	7.7
158.06044	5.7
159.11731	4.1
160.07603	15.9
163.11189	8.6
171.07932	2.2
173.09665	2.9
181.12181	2.7
184.07465	2.2
191.10625	4.0
195.13837	5.4
196.07364	5.3
200.10663	13.8
209.11758	8.7
218.11754	2.3
225.45868	1.9
227.12709	4.9
233.15411	2.6
248.77248	2.1
251.16510	2.5
265.14307	7.2
269.17523	23.2
283.15384	7.4
301.16370	8.6
323.46124	2.1
367.22537	2.7
459.27426	14.6
477.28494	44.2
478.28516	2.9
495.29520	100.0
512.24487	4.7
530.37756	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	530.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01866	8.5
55.05512	39.4
57.03429	18.9
57.07064	4.5
59.04997	2.7
60.78852	2.5
62.61794	2.4
63.39286	2.6
63.83394	2.3
67.05503	100.0
69.07064	20.8
70.93125	6.7
71.04978	6.5
73.02914	6.6
77.03987	2.8
79.05500	41.7
81.03410	17.6
81.07053	76.9
83.04970	10.1
83.08607	23.2
85.02887	10.3
85.06540	4.0
87.04458	11.0
91.05478	25.3
93.07043	46.7
95.04967	6.7
95.08598	25.8
97.06536	10.4
97.10164	13.5
105.07022	12.5
107.08582	35.8
109.06504	5.4
109.10148	45.5
111.08065	8.2
117.07008	8.5
119.08593	13.2
121.06522	3.3
121.10134	11.4
123.08058	3.1
123.11708	4.2
125.09631	20.9
129.05464	7.6
131.08546	10.4
133.10123	17.5
135.11696	15.4
137.09599	3.1
143.10698	3.2
145.10106	5.6
147.11691	5.3
147.29105	2.6
147.37538	3.2
149.13217	14.4
151.11156	2.8
153.12767	5.1
157.10127	3.6
159.11688	10.6
163.11180	8.6
173.11754	18.4
177.12767	3.9
180.24818	2.5
181.12247	5.2
184.60603	2.6
195.13791	20.5
197.30421	2.7
199.13347	12.4
209.11713	8.5
212.04330	3.1
213.14893	5.4
227.12784	9.3
229.14349	53.8
242.55556	2.8
267.15921	3.7
269.17474	63.1
283.15549	2.9
301.16467	12.8
327.29016	2.7
393.26526	3.7
411.27167	5.1
413.11176	3.0
423.27658	13.7
495.29620	15.5
513.30634	16.3
530.39130	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	530.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.7
55.30092	0.6
67.05490	2.0
69.03421	0.9
69.07054	0.9
69.93213	1.7
69.93606	1.1
70.06573	2.8
71.04967	0.8
72.08160	0.8
75.19089	0.6
79.05472	0.7
81.03408	1.5
81.07043	1.7
83.08055	0.6
83.08575	0.6
84.08081	0.9
85.02885	2.8
91.05464	1.2
93.07037	0.7
95.08567	1.3
97.02850	0.8
98.21455	0.6
105.03378	1.9
105.07014	1.3
107.04973	0.8
107.08601	1.0
109.02891	1.0
109.10197	0.7
111.04497	0.6
115.18031	0.6
119.05008	0.7
124.07594	1.7
127.03898	0.8
129.07014	0.7
131.04915	0.7
135.04469	0.7
138.03561	0.6
142.07805	0.8
143.08594	1.0
145.10127	1.1
147.04373	1.4
153.00745	0.7
155.08537	0.9
157.06459	1.1
157.10110	2.1
159.04489	0.8
159.08018	0.9
161.05969	0.6
162.05495	2.5
167.07001	0.7
167.08417	0.7
171.04349	0.8
171.08018	1.8
172.08820	2.1
173.05847	0.8
173.09584	0.9
183.28056	0.6
185.09628	8.3
187.07578	1.2
189.05476	0.8
189.09140	4.6
194.77332	0.6
195.08026	1.4
198.06754	1.1
199.11116	1.5
201.09102	23.2
202.09039	1.1
207.06483	1.0
211.07571	0.7
212.08347	3.0
212.11989	1.4
213.09108	16.6
213.12529	0.8
217.08548	1.1
222.10458	1.4
225.09151	2.3
227.10791	3.8
227.14314	6.4
231.10225	1.7
237.12733	13.3
240.11452	5.9
247.09659	5.4
249.11119	1.5
251.14380	1.3
253.12027	1.0
255.10089	3.0
255.13803	100.0
256.14157	2.7
269.15369	4.3
273.14777	2.0
297.14893	17.9
315.15909	67.4
316.16141	1.6
333.17007	1.7
377.40540	0.7
480.17490	0.9
489.57303	0.7
512.19373	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40790	0.3
53.39667	0.3
55.01854	0.9
55.05485	1.2
61.02899	0.5
63.92244	0.4
67.05472	1.5
68.19439	0.3
69.03394	1.3
70.06577	0.6
71.04955	0.7
71.51966	0.4
79.05466	0.7
81.03378	1.0
81.07040	0.9
83.04978	0.5
85.02907	2.0
85.06530	1.9
91.05437	1.4
93.07039	0.8
95.04919	0.5
95.08595	0.7
97.02864	0.8
99.04404	0.4
105.07008	1.1
107.04942	0.7
107.08597	0.4
109.10146	0.6
112.07609	0.7
119.04885	0.6
119.08559	0.4
121.02820	0.4
127.03864	0.4
131.04912	0.6
135.04375	1.4
137.05948	0.8
143.08589	0.8
144.10181	0.7
145.10078	1.1
147.04396	1.9
147.08026	0.5
147.11673	0.4
155.08466	0.4
157.06442	0.6
157.10083	1.1
158.07233	0.4
159.04399	0.7
161.05934	0.6
162.05473	0.7
171.04384	0.9
171.08015	1.1
171.11693	0.4
172.08670	0.5
173.05917	0.5
173.09631	1.1
175.03856	1.1
177.05461	1.3
177.09070	0.4
183.82625	0.3
185.06114	0.5
185.09590	4.3
189.09102	7.1
195.08070	0.6
198.06665	0.5
199.11194	0.8
201.05643	0.4
201.07295	0.8
201.09081	11.0
203.06950	0.4
207.06535	2.2
207.10168	1.6
209.09631	0.9
212.08299	1.3
213.09091	24.4
214.06187	1.1
214.09383	0.4
217.08401	0.7
225.09026	0.8
226.09673	0.4
227.10707	6.0
227.14250	7.1
229.08571	1.4
231.10178	2.5
237.12773	4.8
240.11510	2.9
241.15933	0.6
243.10205	0.4
245.11716	1.9
247.09628	1.2
249.11253	0.7
251.14348	1.2
255.10248	5.0
255.13788	71.7
256.14117	1.8
267.15851	0.7
269.15350	7.4
273.11328	1.2
273.14844	10.9
287.16333	0.6
297.14844	9.3
315.15887	100.0
316.16364	3.1
333.16986	3.9
362.07785	0.4
369.09854	0.8
455.09747	0.6
476.13464	0.4
530.14020	2.9
531.14215	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01869	0.8
55.05515	0.8
57.03416	1.0
57.07070	0.6
67.05503	1.3
69.03438	4.8
69.07057	2.6
70.06589	0.8
71.04998	0.8
72.08145	0.9
72.89017	0.6
73.02903	1.1
77.03963	0.7
79.05493	1.1
81.03419	3.7
81.07060	1.5
81.78331	0.5
85.02906	10.3
85.06537	1.0
87.00812	3.7
91.05480	1.9
93.07042	1.1
94.13577	0.6
95.04969	1.3
95.08593	2.0
97.02892	3.7
99.04440	2.4
100.85790	0.7
103.05472	0.8
105.01850	2.9
105.03376	1.7
105.07006	1.7
107.04965	1.5
107.13971	0.6
109.02901	3.2
109.06494	0.8
109.10126	0.7
115.89399	0.5
119.04965	0.7
119.08562	1.8
121.06480	0.8
127.03928	6.0
131.04932	2.0
131.08543	1.3
133.02863	7.8
133.06468	2.4
134.09645	0.7
135.04373	3.6
144.10245	1.0
145.04976	1.7
145.06445	3.3
145.10104	1.1
147.04355	2.8
147.08015	4.0
149.05922	0.9
151.03900	19.9
159.02875	1.2
159.04445	0.8
159.07980	1.0
159.11620	0.8
161.05969	0.9
161.09584	0.8
163.03903	2.2
164.04228	1.3
165.05473	14.8
173.05978	2.9
173.09625	2.8
177.05374	1.4
179.07040	1.7
181.04939	6.2
182.05339	3.3
187.11264	0.7
191.07014	1.7
197.09541	1.0
205.08670	4.0
207.06526	1.0
213.09178	0.9
215.10641	6.5
231.04900	0.8
233.11726	100.0
234.12141	1.2
247.11137	0.8
247.13319	3.1
251.12761	5.8
253.83618	0.6
255.13802	2.2
258.07608	0.6
264.13843	1.1
265.14328	4.3
267.15839	0.6
272.05756	0.5
281.13895	1.5
281.88477	0.6
282.14322	2.3
315.15817	3.8
333.46466	0.7
367.11783	0.7
368.11996	0.7
385.99066	0.6
388.05173	0.8
463.15604	0.7
471.40973	0.6
481.16730	1.6
530.14349	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51240	0.7
55.05512	1.2
61.48027	0.9
67.05485	1.6
68.22549	0.7
69.93788	2.3
85.02859	1.3
85.06544	0.9
88.48309	0.8
98.20850	1.5
129.06972	0.8
135.04410	1.9
142.07782	1.0
143.08554	1.8
145.06506	0.9
147.04395	1.5
157.06450	1.3
157.10085	3.4
167.08553	1.1
171.04434	2.1
171.08054	2.7
172.08826	1.8
173.09668	1.6
177.05524	1.2
185.09608	11.1
186.06740	0.8
189.09084	7.5
195.08028	1.4
198.06786	1.6
199.11185	2.7
201.05386	0.7
201.09094	14.9
209.09761	0.9
212.08316	3.2
212.11772	1.1
213.09097	27.0
213.12527	1.4
215.10785	1.5
217.08528	1.2
222.10320	0.9
225.09081	1.7
227.10692	7.8
227.14249	9.7
228.14795	0.9
231.10187	2.7
237.12766	9.7
240.11415	6.6
243.10193	1.8
245.11565	1.8
247.09583	3.7
249.11345	1.1
251.14337	1.4
255.10277	3.6
255.13797	100.0
256.14157	5.2
269.15366	5.2
273.11511	1.8
273.14835	7.1
279.13693	0.8
297.14810	16.1
315.15897	96.4
316.16235	3.0
333.17032	3.5
445.30475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
53.03948	0.4
53.04776	0.2
55.05477	0.2
55.29167	0.2
57.46751	0.2
60.04530	0.2
60.59368	0.2
65.03942	0.5
67.05499	0.3
68.15524	0.2
69.03422	0.7
69.34590	0.2
69.59415	1.4
70.06593	1.4
71.04996	0.2
71.07445	0.2
72.08144	0.4
79.05495	0.3
81.03417	2.1
81.07048	0.3
84.04479	0.3
84.08144	0.3
85.02889	0.6
86.09712	0.5
89.03911	0.3
91.05485	5.6
95.04959	0.5
95.08595	0.2
97.02895	0.2
99.04396	0.2
101.74623	0.2
104.36536	0.2
105.03399	0.6
105.07012	0.2
106.06544	0.5
107.04964	0.5
109.02881	0.6
109.06512	0.2
111.04459	0.2
119.04939	7.9
120.04457	0.5
120.24982	0.2
121.02906	0.2
127.03919	0.5
128.07080	0.5
129.03311	0.2
132.02022	0.3
134.06004	1.8
135.04398	0.4
136.05142	0.3
138.05525	0.5
142.44698	0.2
146.05940	0.2
147.04405	7.0
149.02321	0.3
151.03903	0.2
157.03983	0.8
162.05501	100.0
163.03818	0.3
163.05856	1.4
164.04613	0.3
167.07071	0.4
175.03909	12.5
176.04343	0.2
177.05499	0.4
179.07028	0.7
186.78714	0.2
190.04980	0.2
192.04079	0.4
192.10211	0.3
194.08145	0.6
204.06604	0.2
205.04991	0.4
207.06531	27.7
208.06834	0.8
222.07683	0.3
225.07835	0.2
233.04492	0.2
236.16194	0.2
264.08704	1.5
268.12051	0.2
289.10730	0.4
324.10663	0.5
351.10764	2.4
369.11783	1.4
383.15756	0.2
434.16922	0.2
452.18103	0.7
470.19266	1.0
480.17691	0.9
498.18863	1.0
512.20715	0.9
530.15106	3.1
530.22339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.1
55.05499	0.1
57.35635	0.1
65.03949	0.1
67.97319	0.1
68.99777	0.1
69.03426	0.2
69.90962	0.6
70.06593	0.5
75.74353	0.1
79.05483	0.1
80.80480	0.1
81.03430	0.6
81.07064	0.1
81.28201	0.1
84.08104	0.1
85.02888	0.3
86.09683	0.3
89.03916	0.5
90.58949	0.1
91.05479	1.4
94.06569	0.2
95.04956	0.2
97.02891	0.2
98.20845	0.1
99.04447	0.1
99.20761	0.1
105.03412	0.6
106.03769	0.1
107.04979	0.1
107.08607	0.1
109.02881	0.2
109.10175	0.1
112.07616	0.1
116.04991	0.8
119.04941	2.0
119.08557	0.1
120.04462	1.1
127.03845	0.2
134.05988	0.1
135.04416	0.1
140.07071	0.1
144.03416	0.1
144.04469	0.3
147.04399	2.0
157.03975	0.2
162.05501	100.0
163.05840	1.4
175.03917	3.9
178.04953	0.2
179.07059	0.2
189.09190	0.1
206.04463	0.2
207.06528	9.0
208.06892	0.1
228.63159	0.1
287.10434	0.1
337.07101	0.3
338.07184	0.7
351.10760	0.6
367.11969	0.4
368.12024	1.0
369.11868	0.4
487.16531	0.1
530.17694	0.3
539.21069	0.1
552.17609	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	529.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60093	2.2
52.99299	1.9
53.03941	2.6
55.05510	14.2
57.03434	3.4
57.07079	5.2
65.03006	1.8
65.03941	2.6
67.05502	37.6
69.07067	17.2
69.63676	4.0
69.64085	10.7
70.06613	2.4
71.04979	2.9
71.08681	1.9
71.41872	1.9
79.05488	33.4
81.07056	40.5
83.04963	2.8
83.08607	9.6
85.06530	2.8
91.05475	23.7
93.07041	34.0
95.04947	2.2
95.08598	23.3
97.06570	2.5
97.10148	4.1
102.85261	1.9
105.07018	17.2
107.08613	18.2
109.06523	1.9
109.10165	7.9
111.08097	2.4
117.07008	9.3
119.08601	13.2
121.10133	14.2
129.07007	6.8
131.08572	19.3
133.10130	10.5
135.08047	2.3
135.11702	7.6
143.08580	8.9
145.10124	15.1
147.11710	5.8
149.13246	10.6
155.08510	2.4
157.10155	7.4
159.11700	10.9
161.13274	4.5
169.10141	3.5
171.11755	5.4
173.13254	4.7
175.14870	2.9
183.11702	4.2
185.13327	3.2
187.14841	5.7
192.82680	1.9
195.13831	3.6
197.13382	3.0
199.14848	4.6
201.16380	3.3
209.13284	2.5
211.14893	2.3
255.17220	2.0
272.25934	4.0
276.90839	2.1
283.26437	6.2
284.26700	5.6
289.85425	2.1
411.27502	2.1
419.33093	4.7
437.34003	12.0
455.35123	5.6
511.37851	5.7
529.38916	100.0
529.50311	12.5
530.39001	3.1
546.63513	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	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.9
53.03949	3.4
55.01868	2.2
55.05513	17.5
57.03436	5.4
57.07066	4.0
65.03943	4.6
67.05508	73.2
69.07069	22.8
70.08577	6.4
71.04993	4.7
77.03957	1.6
77.09211	1.3
79.05495	54.3
80.82825	1.1
81.03426	7.0
81.07058	80.8
83.04994	8.1
83.08622	16.1
85.06534	2.6
91.05482	33.8
91.06023	2.4
93.07047	70.1
95.04960	9.4
95.08612	40.8
97.06532	9.9
97.10165	3.4
99.04486	1.4
99.08110	2.9
105.04507	2.9
105.07023	20.1
107.04948	1.6
107.08599	34.1
109.06541	3.2
109.10175	13.3
111.08090	6.2
113.09631	1.6
114.44434	1.5
117.07011	12.1
117.60207	1.5
119.08598	17.2
121.10143	28.8
123.08070	1.5
123.11745	3.6
125.09560	1.3
129.07018	3.6
131.08572	18.9
133.10143	12.2
135.11708	15.6
143.08609	4.2
145.10092	10.0
147.11681	6.6
149.13258	30.9
155.08606	2.0
157.10136	3.4
159.11687	14.4
161.13290	5.4
163.14841	1.6
167.08693	1.4
169.10173	2.7
171.11728	2.7
173.13292	4.9
175.14885	2.3
177.12785	6.1
181.10165	1.8
185.13318	2.2
187.14864	3.1
193.12230	2.6
195.13802	7.9
197.13232	1.9
199.14749	2.0
201.16402	1.8
226.36984	1.5
245.53758	1.5
261.04156	1.3
261.22202	5.7
269.17255	1.4
275.19861	1.6
317.24811	2.0
336.14871	1.6
419.32904	1.3
426.74310	1.4
437.34131	5.1
455.35080	2.3
473.36246	2.3
511.37982	2.8
529.38898	100.0
530.39124	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	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.8
55.01872	2.7
55.05513	16.9
57.03436	4.9
57.07070	4.5
65.03935	3.8
67.05508	61.8
69.03430	3.3
69.07071	21.0
70.01945	6.7
70.06569	1.4
71.04998	3.8
79.05495	55.3
81.03431	4.1
81.07058	71.4
83.04993	5.3
83.08615	9.7
85.06560	3.3
86.13304	1.2
87.04470	1.7
88.07618	1.6
91.05480	32.7
91.06021	2.1
93.07047	60.3
95.04964	9.2
95.08608	33.7
95.09173	2.5
97.06532	8.2
97.10191	3.3
98.20808	1.7
99.08079	2.5
102.09209	1.5
105.04512	1.7
105.07036	22.9
107.04915	1.8
107.08600	39.6
109.06535	3.4
109.10159	12.0
111.08092	4.7
117.07011	14.4
119.08595	15.2
121.06513	1.7
121.10152	29.8
123.08080	3.2
123.11732	3.9
129.07025	3.7
129.97136	1.3
131.08569	18.9
133.10141	13.7
135.08105	1.4
135.11697	15.9
137.13286	2.0
143.08594	4.5
143.44041	1.3
145.10127	13.4
147.11682	7.9
149.13278	22.5
154.32159	1.3
155.08589	3.8
157.10138	8.0
159.11691	16.2
161.09676	2.0
161.13258	6.5
163.14868	3.9
164.26596	1.3
169.10147	3.5
171.11740	4.7
173.13301	6.2
175.11206	1.5
175.14929	1.7
177.12791	4.0
181.10159	1.7
183.11763	2.3
185.13307	3.9
187.14877	3.2
189.16399	2.4
195.13818	5.6
197.13324	2.7
199.14822	2.9
201.16359	2.2
209.13193	2.1
211.14984	2.2
223.14740	1.6
225.12831	2.4
225.16464	1.8
227.14372	6.0
241.15996	3.2
256.26413	13.9
261.22256	3.6
363.26813	11.3
437.34296	4.4
455.35251	1.5
511.37888	2.5
529.38916	100.0
530.39191	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	529.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48709	1.9
52.58071	1.7
53.03948	4.0
55.01863	7.6
55.05516	5.1
55.19112	1.7
57.03427	3.2
59.05001	4.6
65.03931	2.6
67.05503	27.6
69.03414	5.7
69.07066	6.1
70.14988	3.2
70.15399	6.4
71.04990	2.0
78.69043	2.0
79.05493	14.9
81.03419	21.2
81.07057	15.5
82.53599	2.1
83.04967	3.1
83.08609	2.4
91.05469	19.9
93.07042	19.3
94.95498	2.0
95.01328	73.3
95.04964	100.0
95.08607	12.4
95.98722	1.7
97.02893	3.2
97.06548	2.6
103.05437	4.1
105.07029	43.2
107.04948	7.1
107.08593	17.5
109.06519	13.9
109.10145	5.2
115.05432	6.6
117.07033	10.2
119.04905	3.0
119.08573	24.2
121.02853	3.0
121.06506	13.5
121.10160	8.8
123.04465	2.3
123.08076	4.1
123.11685	2.8
128.06216	7.0
129.07011	12.7
130.07777	3.3
131.04918	3.6
131.08556	23.8
133.06506	13.8
133.10162	17.6
135.08046	5.3
135.11667	3.2
137.06027	2.5
137.09613	2.8
141.06999	5.8
142.07744	10.1
143.08562	26.9
144.09348	4.0
145.02843	6.0
145.06490	11.2
145.10123	22.9
147.04437	3.8
147.08032	7.0
147.11668	10.6
149.06056	3.1
149.09604	5.3
152.06194	3.1
153.07043	4.7
154.07791	3.5
155.08522	17.4
156.09332	6.5
157.06512	4.3
157.10109	24.1
158.10820	2.2
159.04378	3.1
159.08063	11.7
159.11673	19.6
161.05977	43.1
161.09593	5.3
161.13292	9.5
163.07486	3.0
163.11172	2.1
165.07001	4.3
166.07681	2.5
167.07271	2.0
167.08546	10.1
168.09373	4.8
169.06479	2.3
169.10120	25.4
170.10838	3.6
171.08081	10.2
171.11696	15.6
172.08821	2.5
173.06030	3.0
173.09657	10.5
173.13226	9.9
175.07518	9.8
175.11183	3.0
179.08583	8.7
180.09213	3.6
181.06517	2.7
181.10071	14.4
182.07184	2.2
182.10852	3.9
183.08072	5.8
183.11674	16.0
185.09650	8.9
185.13275	10.9
187.07576	7.0
187.11198	8.0
187.14862	6.2
189.05438	2.7
189.09120	4.2
189.12762	2.4
191.01866	1.9
191.03351	10.0
191.08554	2.7
192.09328	4.7
193.10141	13.4
193.11757	2.4
194.10974	3.8
195.08101	5.7
195.11668	14.1
196.08737	2.4
196.12595	2.9
197.09653	8.8
197.13210	9.1
199.07591	4.7
199.11171	5.8
199.14786	5.4
201.05414	3.2
201.09151	7.6
201.12723	5.5
203.07019	2.5
203.10587	2.2
205.04965	3.8
205.10210	3.4
206.10910	2.9
207.08081	2.6
207.11702	8.5
209.09669	9.0
209.13246	11.0
210.13963	3.5
211.07600	3.1
211.11179	9.5
211.14867	6.3
213.09100	6.5
213.12730	4.3
215.10745	3.1
215.14389	11.7
215.18018	5.9
217.10081	2.5
218.11009	2.2
219.11751	6.0
221.09650	3.1
221.13280	8.3
223.11195	6.8
223.14796	3.5
225.09215	3.6
225.12730	6.8
225.16406	7.5
227.10710	5.1
227.14386	5.3
229.12241	11.5
230.10875	2.5
232.12352	2.6
233.13315	5.5
234.10298	2.5
235.11176	5.8
235.14772	4.3
237.09116	4.0
237.12782	6.9
239.10727	2.1
239.14232	3.5
241.12337	2.6
241.15903	2.6
243.13838	2.9
243.17426	13.8
245.09715	2.4
247.11137	5.1
249.12828	5.8
251.10635	3.0
251.14326	6.6
253.12262	4.3
253.15901	5.0
255.10062	2.3
255.13953	2.8
257.15512	2.5
261.12708	4.1
263.14417	5.7
265.12064	4.3
267.13846	3.7
271.13272	2.8
271.17184	2.6
273.12613	2.7
275.14319	4.1
277.12317	3.0
277.15744	4.5
279.13882	4.1
279.17371	2.8
281.15353	3.5
287.14035	2.2
289.12289	4.7
289.15649	2.7
291.13754	3.6
292.18195	2.4
293.11710	4.4
293.18991	8.0
295.13321	2.7
295.17062	4.2
299.16470	2.1
303.17398	3.2
305.15421	2.8
305.18826	2.0
307.13309	6.7
307.16882	3.7
309.18683	2.5
311.20120	3.7
321.18427	11.3
323.16623	2.9
323.20126	2.5
331.13171	2.2
331.16910	3.2
333.14798	4.9
333.18448	2.5
335.16498	5.4
339.19550	3.2
349.18015	9.3
351.15717	3.2
351.19617	3.4
353.17419	5.3
361.14285	2.9
365.17447	2.7
367.19055	20.8
373.18127	2.6
375.19580	3.0
377.17465	5.9
379.15295	4.8
393.20633	4.4
395.18729	8.8
397.16373	2.8
401.17419	2.7
409.19919	3.4
411.21585	4.9
427.21094	2.8
437.19891	2.5
455.20554	32.7
529.24438	13.5
529.35303	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	529.2432
Annotation	Satratoxin H
Peak:m/z	Relative Intensity
53.03939	4.7
55.01870	3.7
55.05504	2.4
57.03436	4.9
58.10038	1.9
59.04990	8.5
67.05512	10.8
69.03426	6.4
69.07059	2.7
71.14129	4.3
73.86947	2.0
79.05484	18.2
81.03419	9.9
81.07059	8.6
82.15073	1.9
91.05482	17.0
93.07040	11.4
95.01331	76.0
95.04965	30.6
95.08591	5.2
103.05466	8.8
105.07033	54.5
107.04956	5.2
107.08602	8.7
109.06527	9.9
109.10161	5.1
115.05415	4.5
117.07011	9.8
119.04868	2.6
119.08579	21.3
121.06495	5.8
121.10150	4.4
123.04411	3.1
123.08061	3.4
128.06219	6.2
129.06987	9.7
131.08562	19.9
133.06479	29.4
133.10124	8.1
135.08035	3.2
141.06981	3.7
142.07816	4.5
143.08554	25.8
145.02818	2.8
145.06490	8.8
145.10123	22.4
147.04425	2.7
147.08041	8.1
147.11665	10.5
149.06027	4.4
153.07066	2.4
154.07758	3.1
155.08528	10.5
156.09334	6.7
157.06546	4.1
157.10123	14.3
159.04369	2.7
159.08084	10.0
159.11647	6.3
161.05986	100.0
161.09621	6.1
161.13239	8.6
163.07561	3.6
165.07005	5.9
166.07838	2.6
167.08562	8.4
168.09238	2.8
169.06485	3.1
169.10130	17.4
171.08054	15.6
171.11702	14.8
173.09608	4.4
173.13287	5.2
175.07571	18.0
175.11209	4.3
175.14833	2.3
179.08594	2.5
180.09250	2.1
181.10086	15.7
182.10925	3.1
183.08087	3.3
183.11731	10.2
185.09573	7.2
185.13300	9.0
187.07518	5.0
187.11140	4.7
189.05420	4.0
189.09135	2.8
189.12721	5.5
191.03571	2.3
192.09293	3.7
193.10112	9.7
195.07974	2.8
195.11693	10.6
196.12437	2.7
197.09615	9.5
197.13202	2.9
199.11273	3.4
199.14868	2.9
201.05569	4.6
201.09169	4.2
201.12778	4.1
203.07051	5.5
203.08852	2.4
203.10631	4.1
203.14334	2.2
204.09311	2.7
205.04938	8.7
205.10213	5.2
205.12144	3.0
207.11748	6.7
209.09683	7.0
209.13307	5.2
211.07463	2.5
211.11174	5.3
211.14752	3.6
213.09219	3.2
213.12816	4.9
215.10672	4.8
218.10960	2.2
219.11754	5.1
221.09700	3.7
221.13245	6.4
223.11214	4.4
225.09077	5.1
225.12840	3.3
227.10728	5.7
227.14397	2.4
229.12263	4.0
231.11708	2.6
231.13866	3.0
233.09642	5.3
233.13225	3.1
235.07616	2.7
235.11235	4.5
235.14793	3.1
237.12677	4.2
239.10725	2.7
239.14401	5.3
241.12234	2.3
247.11252	6.1
249.12762	6.3
251.10750	3.5
251.14281	2.8
253.12335	2.3
257.15466	3.2
259.11075	3.0
261.12640	4.8
263.10999	2.2
263.14386	2.9
265.12308	8.1
265.15765	3.2
267.11002	2.3
267.13828	8.8
273.12735	4.2
275.10452	3.1
277.15970	3.1
279.17398	3.0
287.14136	3.2
289.15845	4.2
291.13733	3.6
291.17261	2.4
293.11667	10.2
293.15036	5.0
295.16696	2.9
297.11563	3.4
305.15390	4.1
307.16858	5.2
309.18509	6.3
315.13727	4.7
317.11710	2.7
319.16849	8.2
321.18475	3.2
331.16904	6.0
333.14786	11.7
333.18512	9.2
335.16290	18.0
337.14453	4.3
349.17960	4.5
351.15933	5.7
351.19623	4.6
353.17545	24.5
359.12646	3.8
359.16541	3.9
361.14233	11.8
367.18839	2.9
373.17755	4.7
375.19659	7.3
377.17487	8.4
379.15512	12.3
393.20535	20.8
395.18552	27.2
397.09143	2.2
397.16336	7.0
401.17346	3.6
409.19992	3.8
411.21606	6.3
419.18600	4.1
427.21307	2.4
437.19601	6.9
455.20612	20.3
529.24194	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93381	4.3
50.96005	4.1
51.32867	4.7
55.05506	11.4
57.03427	5.9
61.85825	5.0
67.05493	22.3
69.03414	17.3
69.07062	10.9
69.41757	10.4
69.42160	37.5
70.06593	50.8
71.05012	5.7
71.06934	6.4
72.08159	10.9
74.06064	10.5
79.05494	11.8
81.03410	17.6
81.07059	10.5
83.04980	11.8
84.04514	7.3
84.08134	16.0
85.02898	18.2
85.06534	16.0
85.07677	5.7
86.09701	19.2
91.05499	23.5
93.07037	12.1
95.04951	9.0
95.08599	8.3
97.02911	13.3
99.04462	6.2
105.03451	7.7
105.07017	12.5
107.08562	11.4
109.02901	9.7
110.07130	5.0
112.26168	4.4
118.06898	6.6
119.04907	8.5
119.08546	8.6
120.08088	8.4
121.02876	13.7
123.08051	5.0
127.03902	13.5
129.10237	6.9
133.10136	5.2
135.04385	9.5
137.05974	10.2
145.02779	5.7
145.06546	6.5
145.10051	10.8
147.04405	15.8
149.05975	6.7
149.09651	5.5
153.76015	4.7
159.04396	7.4
160.07591	8.8
161.05991	5.5
162.05490	15.4
163.03886	5.9
163.07549	8.7
164.04253	6.3
167.07092	7.9
175.03906	100.0
177.05484	32.6
187.03894	21.0
187.07550	5.8
189.05478	13.2
203.03386	6.0
205.08377	6.7
207.06538	21.1
229.08647	31.0
231.10219	7.8
241.08638	20.0
243.10185	20.6
247.09682	85.8
248.10193	5.0
259.09760	5.6
262.48203	5.9
313.14536	23.5
331.15399	51.8
334.00665	5.1
373.13855	18.3
434.51706	4.9
480.17371	16.8
494.19644	5.0
499.76602	5.5
512.20300	11.7
529.16205	6.6
529.29144	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	529.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96300	3.9
56.96564	61.4
57.03430	3.8
57.36316	1.6
61.02909	2.8
69.03418	8.9
69.78825	6.0
69.79234	4.1
70.06586	12.3
70.98131	4.1
71.95277	2.4
72.08149	4.3
73.02917	2.4
74.97591	3.4
81.03423	4.0
81.07055	2.0
84.08154	2.6
84.57682	1.6
84.96041	16.5
85.02901	15.0
86.09720	2.3
88.99167	2.8
91.05476	7.6
95.04984	1.7
97.02898	9.2
98.21531	2.0
98.97586	100.0
99.04417	2.2
100.99145	5.5
102.97051	3.7
104.10758	1.8
105.03396	10.4
109.02805	2.4
110.97562	24.4
112.99122	8.2
116.07087	6.4
116.98625	67.7
117.98959	1.9
118.94704	1.8
119.00193	3.5
119.01886	4.3
119.04950	9.5
119.51136	1.9
124.99152	2.7
127.03942	5.7
128.98615	39.1
129.10251	2.9
131.00183	13.9
131.07329	1.8
133.01743	4.7
134.99652	29.8
140.00220	2.7
140.98637	5.5
143.00180	17.9
144.98082	20.6
145.01697	6.1
145.02737	3.2
145.04971	2.4
145.09982	1.9
146.99652	33.4
147.03242	2.8
147.04399	35.5
148.04784	2.0
149.01230	14.2
151.02757	2.8
152.98590	7.3
153.00723	2.5
157.01669	2.5
158.99664	32.4
161.01233	26.0
161.02966	5.7
162.99132	27.4
163.02763	4.1
165.00754	3.8
167.02278	2.2
170.99680	20.2
173.01218	8.9
173.02852	4.2
174.99103	2.5
175.02728	2.6
177.00722	37.8
177.02213	3.1
177.05530	7.2
178.04921	2.0
179.02213	8.1
181.00206	5.3
182.99695	9.6
184.02710	2.3
186.99144	6.4
187.02718	5.1
187.04439	2.9
189.00720	39.6
190.98611	2.4
191.02293	11.8
191.03825	3.3
193.00150	3.2
193.03839	6.4
195.01723	3.4
197.01155	2.0
197.03075	1.9
199.02795	1.9
200.02356	2.1
201.00716	62.7
203.02238	5.7
203.04024	2.9
203.07983	2.3
205.00201	43.0
205.01840	2.1
205.03691	4.1
207.01717	5.1
207.06763	2.3
211.04866	5.6
212.02365	3.1
213.00731	4.9
217.03835	4.9
219.01773	76.1
220.02406	2.0
221.05147	2.6
223.01248	82.9
223.04765	4.0
224.02278	3.5
228.01897	4.1
229.00099	2.9
231.01772	7.0
233.03249	2.4
237.00444	3.7
237.02814	58.6
239.02370	2.2
241.02216	14.1
242.03325	3.7
243.01736	17.6
245.05313	3.8
246.02950	4.6
247.01262	43.0
247.04755	4.0
251.04276	2.9
253.11166	4.8
255.03896	3.8
257.03253	2.2
259.01288	2.5
259.07574	2.3
260.04315	4.1
261.02826	78.7
265.02322	42.9
271.12213	8.0
273.02774	6.9
277.02216	14.9
279.03885	55.7
279.07504	18.4
280.07886	3.2
281.07440	5.3
281.10559	2.0
288.03931	7.9
289.02313	5.0
291.03787	14.5
293.05350	3.7
295.03296	5.3
295.06296	4.9
302.05344	5.6
307.03354	15.7
307.06537	3.9
315.11240	4.1
319.07019	5.5
321.04898	27.5
321.08630	11.1
322.09143	1.9
323.09186	6.1
325.07114	6.1
331.03418	7.7
333.04944	6.5
337.07822	15.2
349.04333	25.1
349.07880	3.0
351.06055	7.1
355.09140	10.6
365.09973	5.6
367.05411	13.2
367.08282	2.6
367.09430	3.9
381.07227	8.9
399.08093	14.8
409.05759	2.0
427.10336	3.2
441.09204	5.3
469.07813	2.6
481.08813	2.5
511.09476	17.4
529.10223	68.0
530.11578	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01859	0.4
55.05507	4.8
57.07071	0.4
58.06598	29.4
59.04996	0.5
60.04527	1.9
67.05493	3.4
69.07056	2.2
69.48015	2.6
69.89264	0.3
72.08142	1.4
79.05486	3.8
81.03408	0.7
81.07050	6.2
83.04977	32.5
83.08608	0.9
84.08145	0.8
85.02889	0.7
91.05479	4.0
93.07034	5.0
95.04950	1.2
95.08611	5.7
96.08173	0.5
97.06528	1.4
97.10155	0.6
98.44932	0.4
99.08093	0.4
100.07619	6.2
103.05443	0.7
105.07024	5.5
107.04929	0.4
107.08589	9.8
109.06512	1.7
109.10148	5.0
111.08070	1.4
114.09164	0.5
115.05487	0.5
116.75411	0.3
117.07013	1.6
119.07803	0.7
119.08585	8.9
121.10155	5.9
123.08071	3.6
123.11713	2.4
125.09609	0.6
129.06995	1.1
130.07889	0.5
131.04996	0.4
131.08556	4.6
133.10133	6.6
135.08073	1.8
135.11673	3.0
137.09601	1.5
139.11249	0.5
141.09045	0.4
142.07805	0.6
143.08597	1.9
144.09303	0.5
145.10121	6.0
147.08064	0.8
147.11685	4.4
149.09607	2.0
149.13248	1.3
151.11171	0.7
155.08554	0.8
156.09273	0.6
157.10132	4.0
159.08061	0.6
159.11685	7.6
161.09534	1.7
161.13235	2.6
163.11171	2.9
163.14832	0.8
169.10159	1.2
171.11681	2.4
173.09686	0.4
173.13281	4.3
175.11176	1.8
175.14806	1.0
177.12753	0.8
179.14334	0.6
181.10149	0.5
183.11690	2.5
185.13292	1.5
187.11031	0.4
187.14807	2.7
189.09117	0.5
189.12738	1.3
189.16379	1.0
191.10664	0.5
191.14296	1.9
195.11714	0.7
197.13240	1.8
199.14850	2.3
201.12764	1.3
201.16393	1.2
203.14316	1.2
205.15936	1.1
207.11592	0.5
209.13266	0.7
211.14789	1.0
213.16396	1.3
215.14316	1.4
217.15883	1.7
225.12741	0.4
225.16446	0.8
227.14375	0.6
227.17932	1.0
231.17470	0.8
235.37268	0.4
237.16566	0.6
241.15793	0.4
245.19121	1.0
251.18062	0.4
253.19560	0.5
263.18002	0.5
271.20688	0.4
281.18970	0.6
283.23953	0.4
301.25159	0.4
309.22162	0.5
310.52988	0.4
311.23602	2.2
329.24841	0.5
335.23749	1.0
349.25412	0.6
353.24646	0.7
379.26071	0.9
395.25894	0.4
397.27277	2.5
433.30890	2.2
451.32074	6.6
510.35709	0.4
528.36853	100.0
529.37347	2.7
545.21661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85849	1.6
55.05512	3.1
57.07070	3.4
62.41242	1.7
65.03926	2.7
67.05240	1.5
67.05514	17.0
69.03413	2.5
69.07066	2.9
69.68861	1.3
70.06576	6.9
71.04997	2.0
71.53291	2.2
85.02892	4.6
85.06538	12.8
91.05470	3.1
95.00648	1.6
95.04957	1.6
97.02911	1.8
99.08147	1.6
100.96977	1.6
105.03351	3.3
109.02911	1.8
119.04855	1.5
127.03894	2.0
131.04968	3.0
147.04411	6.1
157.10068	1.7
159.04465	5.6
163.03896	1.8
173.02315	1.9
175.03914	100.0
177.05394	8.3
187.03888	22.1
187.07481	2.0
189.05530	9.9
199.03880	3.0
201.05431	5.0
201.09093	2.0
203.03357	4.9
203.07056	4.4
213.05510	2.7
217.04901	2.4
217.08470	2.0
226.06314	4.9
229.08598	30.6
231.10226	10.0
241.08554	16.7
243.10193	20.9
245.07930	2.3
247.09679	86.1
253.08537	2.7
255.10172	4.9
259.09723	4.3
265.10745	2.1
271.09882	1.8
295.13205	7.5
313.14334	25.8
319.78998	1.9
331.15393	75.9
332.15604	4.6
349.16440	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	527.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83780	1.3
53.03936	4.6
54.07117	1.5
55.01867	11.9
55.05510	31.5
57.03432	14.4
57.07077	1.5
61.02920	14.9
65.03944	2.2
67.05504	41.1
67.53072	1.6
68.76762	1.4
69.03072	2.9
69.03427	27.6
69.07069	29.6
70.06579	3.7
71.01361	2.4
71.04978	6.3
71.52770	1.6
73.02908	7.6
79.05072	2.4
79.05493	32.2
81.03414	31.3
81.07054	37.0
83.01300	1.6
83.04978	10.9
83.08612	15.7
84.08119	1.9
85.02903	25.3
85.06513	2.4
91.03960	7.6
91.05478	22.4
93.07045	25.8
95.04974	14.7
95.08600	15.3
97.02894	26.1
97.06528	7.9
97.10177	20.1
99.04457	6.6
101.02374	6.1
102.83904	1.7
103.03967	2.6
105.03371	2.0
105.07024	15.5
107.04958	12.9
107.08585	20.5
109.02877	8.1
109.06497	3.8
109.10159	20.0
111.04446	3.0
111.07366	1.4
111.08096	3.9
115.03833	1.8
117.07014	8.6
119.08581	17.7
121.06485	6.6
121.10147	6.8
123.04396	2.8
123.08044	7.0
123.11717	2.9
125.09618	15.4
127.03929	12.6
128.06195	1.8
129.07002	5.3
131.08598	8.7
132.05557	1.6
133.06500	4.8
133.10158	7.1
135.04399	1.8
135.08049	7.2
135.11703	5.4
137.09595	3.9
141.07034	1.7
143.08591	3.6
145.05005	2.0
145.06526	3.6
145.10120	7.4
147.08029	9.2
147.11690	5.7
149.09598	4.0
149.13290	2.2
153.12727	2.1
155.08594	2.0
157.10121	4.5
159.11725	4.5
161.09610	4.1
163.11183	6.4
165.09145	4.9
171.11734	2.9
173.09616	3.3
173.11787	4.1
175.11246	3.2
177.12766	2.1
181.12210	3.1
183.06570	2.2
184.07553	3.0
185.09544	2.3
189.11284	12.1
191.10696	2.2
193.12270	10.5
199.11237	1.9
203.10706	1.7
205.12244	3.3
211.13283	7.4
223.13309	14.3
227.12859	4.6
227.18063	2.5
229.14388	3.2
235.13324	2.0
245.13908	1.8
249.14880	4.8
267.15936	3.3
273.18497	20.0
283.15356	2.0
284.45584	1.5
291.19528	100.0
347.22205	6.5
365.23227	26.8
509.27438	5.5
522.86127	1.7
527.28381	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	527.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.9
55.01864	3.2
55.05501	6.7
57.07056	1.6
67.05510	12.3
69.03426	8.1
69.07067	10.3
69.72948	9.8
70.32357	1.8
71.01350	4.4
71.04946	1.7
73.90607	1.7
79.05488	13.9
79.60143	1.8
81.03415	21.8
81.07060	8.9
83.04964	3.1
83.08602	5.2
85.06523	1.9
91.05490	12.8
93.07043	9.6
95.01315	3.3
95.04959	16.6
95.08598	5.3
97.02901	3.9
98.21416	2.8
99.04433	3.0
105.07028	16.6
105.34838	1.5
107.04941	15.9
107.08578	7.7
109.02887	16.3
109.06519	6.3
109.10141	6.4
111.08016	2.1
115.05447	2.4
117.07010	5.4
119.08604	17.9
121.06490	7.2
121.10124	6.3
123.04404	7.5
125.09597	1.9
128.06223	4.4
129.07039	9.5
131.08591	11.7
133.06450	3.9
133.10110	10.1
135.04425	6.5
135.11687	4.3
137.06017	1.8
141.06967	3.7
142.07758	6.4
143.08557	17.0
145.06491	18.3
145.10124	13.9
147.08017	7.3
147.11703	7.7
149.09515	2.1
151.11180	3.7
155.08508	9.9
156.09361	5.8
157.10132	16.9
159.08032	4.9
159.11664	8.2
161.05968	1.9
161.09624	2.5
161.13260	2.8
163.07471	4.6
165.06964	6.1
166.07758	1.5
167.08560	6.1
168.09331	2.4
169.10106	9.5
170.10884	2.8
171.08060	5.0
171.11714	17.5
173.09625	5.6
173.13280	3.8
175.07553	10.1
178.07819	2.3
179.08548	5.6
180.09332	3.4
181.06509	2.4
181.10002	7.5
182.10890	2.5
183.08057	3.6
183.11676	9.5
185.09587	3.7
185.13245	12.6
187.07607	4.5
187.11168	3.5
189.09088	2.4
189.12669	2.8
192.09297	3.6
193.10152	7.4
194.10896	3.1
195.08028	3.6
195.11676	11.1
197.09631	5.4
197.13255	9.3
198.10463	1.8
199.11172	7.5
199.14775	6.3
201.09016	2.4
204.09337	1.9
205.10083	2.1
206.10849	3.6
207.11665	5.5
208.12399	3.2
209.09546	4.8
209.13255	6.7
210.10440	2.1
211.11174	6.9
211.14835	4.8
213.09119	2.9
213.12766	6.9
213.16376	4.0
216.09302	2.1
217.10089	2.9
218.10912	2.7
219.11618	3.3
220.12492	2.2
221.09665	3.1
221.13210	4.3
223.11115	5.7
223.14856	3.3
224.11858	2.1
225.09099	2.0
225.12737	4.6
225.16216	2.3
227.10753	2.0
227.17928	1.9
231.11743	3.4
233.13206	3.9
235.11137	4.7
235.14745	3.4
237.12692	6.7
237.16397	3.0
239.10478	1.7
239.14340	3.9
239.18004	4.1
241.12164	2.6
241.15820	3.6
245.13153	2.3
247.11121	5.3
248.11792	2.5
249.09007	1.7
249.12813	4.7
249.16599	2.2
250.13564	2.3
251.14391	4.7
252.06790	2.1
253.15707	1.8
258.07620	7.5
261.09097	2.3
261.12793	3.6
262.13428	2.0
263.14307	4.9
265.12173	4.4
265.15643	2.4
267.13763	5.7
269.15433	2.3
270.07547	2.1
273.12875	2.3
277.12469	2.1
277.15854	6.3
279.13773	11.2
279.17154	4.1
281.15561	8.1
286.07059	4.6
291.13721	4.5
291.17148	2.0
293.15378	8.8
293.18863	3.3
294.15955	2.0
295.13254	4.6
295.16907	4.2
299.20035	9.2
305.15369	27.3
305.18698	2.0
307.16931	12.2
309.18481	4.1
317.08459	2.2
319.16849	6.5
319.20514	3.2
321.18506	16.5
323.17023	4.4
323.20044	100.0
324.20334	2.3
336.20810	4.1
337.14221	4.4
337.21646	20.9
339.15903	6.0
347.16254	3.8
347.20032	19.5
349.17905	7.1
351.16119	3.3
361.21616	4.4
365.17233	7.8
365.21176	56.3
366.21524	2.1
367.18881	1.9
389.21130	9.7
407.22171	30.2
419.21057	1.9
425.23175	19.0
427.76819	1.6
467.24200	8.4
485.25958	1.7
527.14801	2.0
527.26434	19.8
528.14856	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	527.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.6
55.01852	10.0
55.05494	20.4
57.03437	8.3
65.03929	9.1
67.05505	57.3
69.03419	33.2
69.07052	28.0
70.06564	10.4
71.04997	13.9
71.53544	14.4
79.05492	42.5
79.23038	7.8
80.86955	6.8
81.03424	37.2
81.07050	51.4
83.04972	23.5
83.08609	15.7
84.08154	11.3
85.02893	24.6
86.09696	8.9
91.05485	63.4
93.07028	43.4
95.04954	36.5
95.08598	28.3
97.02882	22.7
97.06517	12.5
97.10166	9.3
99.04473	55.0
103.05457	14.8
105.03398	12.5
105.07023	66.6
106.46673	7.2
107.04934	26.3
107.08572	35.9
109.02899	10.5
109.06496	19.7
109.10137	28.6
111.04437	26.6
113.45811	7.7
115.05482	15.5
117.07014	34.9
119.04942	20.6
119.08612	36.3
121.02853	8.6
121.06425	17.2
121.10082	18.7
125.02371	66.6
125.05974	22.4
127.03913	25.0
128.06192	31.3
128.25737	8.4
129.06990	30.7
131.04912	18.2
131.08559	25.9
133.06483	28.4
133.10126	18.1
135.04442	9.2
135.08098	18.6
135.11650	9.2
141.06960	21.4
142.07811	20.0
143.08592	75.9
145.06485	27.1
145.10110	41.3
147.04431	13.9
147.08032	17.5
147.11708	19.9
149.06013	10.3
149.09683	10.8
153.05464	20.2
153.07021	8.8
155.08542	30.4
157.06551	9.4
157.10112	37.8
159.08118	17.2
159.11688	13.8
161.06012	11.7
161.09535	10.9
163.07523	13.6
163.11172	17.0
165.07013	17.5
166.07729	7.9
167.08548	19.3
169.06493	9.0
169.10132	30.4
171.08020	74.0
171.11678	20.3
173.05945	8.0
173.09607	18.9
175.07550	11.0
177.05473	10.5
178.07745	11.3
179.08577	24.1
179.10612	7.6
180.09354	12.2
181.10158	18.8
183.08040	20.1
183.11641	22.6
185.09583	19.5
185.13129	13.0
187.11269	13.2
191.06984	11.2
191.08559	9.8
191.10703	9.8
192.07756	9.1
192.09335	14.2
193.10126	24.8
193.12111	7.2
195.08145	13.6
195.11693	17.9
197.09637	24.1
197.13258	14.5
201.12643	10.2
203.08691	8.9
205.10175	18.5
206.10896	13.1
207.11644	29.0
209.09605	17.1
209.11592	9.9
209.13390	10.3
211.07568	15.7
211.11226	11.2
213.08969	9.0
213.12701	22.7
215.08510	9.7
216.09302	10.1
217.10179	12.2
218.10913	10.7
219.11681	17.1
220.08807	11.0
221.09680	13.8
222.10284	11.3
223.05954	12.1
223.11154	26.6
224.61049	8.0
225.09081	11.3
225.12782	17.6
227.10736	8.9
227.12746	15.2
230.10793	9.3
231.11726	18.4
232.12306	7.7
233.09619	16.4
233.13246	7.8
234.10306	16.4
235.07578	8.2
235.11137	27.8
236.11966	9.2
237.09108	8.0
237.12749	16.5
243.11647	11.5
245.09482	10.1
245.13435	11.2
247.11182	10.6
249.12735	11.2
251.14423	13.9
253.12091	9.2
258.10449	15.0
258.14050	8.2
259.11258	16.5
261.12769	15.5
263.10651	15.2
263.14392	10.4
265.16092	10.0
273.12714	18.7
275.14304	8.9
283.15546	9.9
287.10782	13.8
291.13757	16.2
293.15274	10.4
301.12286	18.4
303.13693	14.8
307.20453	10.0
319.13342	13.2
323.16193	11.7
337.18036	11.5
338.18784	10.1
381.16763	10.3
382.17969	14.3
407.14667	17.2
421.19836	8.2
423.21552	27.5
442.19751	10.6
467.20584	32.0
485.21796	7.9
527.22241	100.0
527.35193	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	527.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.1
55.01860	14.0
55.05507	32.1
57.03434	14.9
59.05003	4.9
65.03933	5.8
67.05234	5.5
67.05510	59.1
69.03431	40.3
69.07067	23.6
70.06573	16.1
71.04996	15.4
71.52702	9.2
72.67711	5.7
73.02929	7.3
79.05487	45.8
81.03426	28.5
81.07066	49.4
83.04996	15.9
83.08619	20.3
84.08147	8.7
85.02898	23.1
87.04445	5.4
89.61664	5.8
91.05480	71.1
93.07051	42.3
95.04986	28.8
95.08600	27.7
97.02888	16.3
97.06523	13.3
97.10144	6.7
99.04450	45.8
103.05483	14.6
105.03403	31.6
105.07030	56.7
107.04941	20.4
107.08596	29.0
109.02866	14.6
109.06515	20.9
109.10149	33.3
109.36764	5.3
111.04422	16.8
111.08125	6.4
115.05470	8.3
117.06983	27.9
119.04929	16.4
119.08540	34.2
121.02912	8.4
121.06500	16.5
121.10157	20.0
123.04449	5.6
123.08119	8.7
123.11738	11.5
125.02355	36.4
125.06000	12.7
125.09647	9.0
127.03903	22.8
128.06192	19.1
129.06975	19.2
131.04947	9.3
131.08595	33.9
132.05750	8.6
132.89114	6.5
133.06503	25.6
133.10132	19.1
135.04414	9.4
135.08066	17.2
135.11684	12.5
137.05901	10.0
137.09592	6.1
139.11165	6.8
141.06982	15.4
142.07779	14.6
143.08577	61.8
145.06476	20.7
145.10110	38.4
147.04420	16.2
147.07999	12.1
147.11687	12.7
149.05942	7.8
149.09618	5.7
150.09154	10.3
151.09485	9.7
151.11188	6.7
153.05444	11.6
153.06931	8.4
155.08524	15.6
156.09355	8.8
156.27313	5.5
157.08791	5.4
157.10057	29.2
159.04440	8.4
159.08051	18.7
159.11684	16.7
161.05989	22.8
161.09573	7.8
163.11177	11.3
165.06975	9.0
166.07686	8.1
167.08536	11.9
169.10132	27.0
171.08067	42.3
171.11716	13.9
173.05949	9.6
173.09601	10.3
173.13271	8.2
175.11209	9.5
179.08580	21.2
180.09280	7.2
181.10100	15.6
183.11649	13.4
185.09587	10.1
185.13295	7.8
185.39243	6.9
187.11154	7.5
189.05560	7.5
191.07031	12.2
191.08591	10.8
192.09337	15.7
193.08540	12.2
193.10159	19.8
193.11949	6.3
195.08095	9.2
195.11670	11.9
196.08820	10.1
197.09624	14.2
199.07584	7.1
199.11214	8.0
199.14836	7.0
202.07820	10.4
203.08664	9.7
204.09412	10.2
205.10211	10.8
206.10934	7.2
207.11699	17.0
208.08943	9.3
209.09627	19.5
209.11636	11.3
211.07520	5.8
211.11234	12.1
213.09093	6.6
215.08620	10.8
217.10199	15.2
218.10863	9.4
219.08063	10.5
219.11736	13.4
220.08812	9.1
221.09659	11.3
221.13336	11.4
223.05978	11.2
223.11209	16.6
227.12555	10.4
227.14479	8.7
231.08095	9.2
231.11783	8.6
232.12436	10.6
233.09572	15.7
233.13258	17.3
234.10527	9.7
235.11195	21.4
237.09276	8.8
237.12689	8.4
245.09677	13.4
245.13322	16.9
247.14915	10.9
249.12804	12.7
251.10669	14.4
253.12335	11.7
258.10431	12.7
259.11224	9.7
259.15253	6.9
260.12015	7.4
261.09192	12.3
261.12753	12.8
263.10733	15.9
263.14310	15.4
265.12143	7.2
265.15860	9.0
273.12735	21.6
275.10706	5.5
275.14258	13.7
277.12323	10.4
277.15863	13.6
279.10895	6.5
279.13702	11.9
283.15445	6.4
285.09485	6.4
285.12564	7.7
286.26212	6.5
289.12057	16.0
291.13943	9.2
295.13538	7.0
301.12225	13.1
305.15445	14.2
307.13348	8.3
315.17343	6.1
317.11710	8.7
319.13287	9.3
321.14856	15.9
329.11606	10.8
338.18835	9.1
347.12906	10.2
361.17892	7.4
381.16824	13.9
389.17630	10.1
407.14957	17.7
421.20261	7.7
423.21909	29.8
442.19922	11.7
467.20978	15.5
527.22534	100.0
527.29370	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	527.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69207	0.5
53.03927	1.5
55.01861	0.5
55.05505	0.8
56.52443	0.5
57.03429	0.5
65.02212	0.5
65.03934	1.3
67.05518	1.2
69.03446	2.6
69.07058	0.6
70.06600	5.0
71.04975	0.9
71.53115	0.5
72.08141	1.1
73.02923	0.5
74.06066	2.1
81.03412	6.9
81.07032	1.7
83.04994	0.9
84.08143	1.3
85.02898	3.0
86.09683	1.0
89.03963	0.6
91.05479	19.2
93.07016	1.4
95.04963	1.1
95.08585	1.6
97.02895	1.9
99.04452	1.6
103.05466	1.0
105.03370	1.1
105.07051	1.0
107.05006	0.5
107.08589	0.9
108.08132	0.6
109.02889	2.5
110.07162	0.5
119.04940	30.2
119.08601	1.1
121.02893	1.0
127.03915	2.9
129.03397	0.8
129.10246	0.8
132.02048	1.5
133.02849	0.7
133.10126	0.5
135.04370	0.9
136.05145	0.6
136.07562	2.3
137.09615	0.8
138.09161	0.6
141.09055	2.4
145.04868	0.5
147.04410	25.0
149.02328	1.1
157.03995	2.6
157.10120	0.7
164.04689	0.7
164.07072	1.6
175.03909	44.0
176.04297	1.1
179.07018	2.0
192.04237	1.0
206.08087	1.0
207.06529	100.0
208.06850	1.4
217.08568	0.8
219.10129	0.7
225.07593	0.8
299.22394	0.5
351.10770	7.2
365.20926	0.5
369.11749	3.6
491.14102	1.2
527.20667	1.4
527.27686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69207	0.5
53.03927	1.5
55.01861	0.5
55.05505	0.8
56.52443	0.5
57.03429	0.5
65.02212	0.5
65.03934	1.3
67.05518	1.2
69.03446	2.6
69.07058	0.6
70.06600	5.0
71.04975	0.9
71.53115	0.5
72.08141	1.1
73.02923	0.5
74.06066	2.1
81.03412	6.9
81.07032	1.7
83.04994	0.9
84.08143	1.3
85.02898	3.0
86.09683	1.0
89.03963	0.6
91.05479	19.2
93.07016	1.4
95.04963	1.1
95.08585	1.6
97.02895	1.9
99.04452	1.6
103.05466	1.0
105.03370	1.1
105.07051	1.0
107.05006	0.5
107.08589	0.9
108.08132	0.6
109.02889	2.5
110.07162	0.5
119.04940	30.2
119.08601	1.1
121.02893	1.0
127.03915	2.9
129.03397	0.8
129.10246	0.8
132.02048	1.5
133.02849	0.7
133.10126	0.5
135.04370	0.9
136.05145	0.6
136.07562	2.3
137.09615	0.8
138.09161	0.6
141.09055	2.4
145.04868	0.5
147.04410	25.0
149.02328	1.1
157.03995	2.6
157.10120	0.7
164.04689	0.7
164.07072	1.6
175.03909	44.0
176.04297	1.1
179.07018	2.0
192.04237	1.0
206.08087	1.0
207.06529	100.0
208.06850	1.4
217.08568	0.8
219.10129	0.7
225.07593	0.8
299.22394	0.5
351.10770	7.2
365.20926	0.5
369.11749	3.6
491.14102	1.2
527.20667	1.4
527.27686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96300	0.7
56.96564	11.1
57.03424	1.3
69.03421	1.6
69.79339	0.8
69.79740	2.8
69.95635	0.5
70.06574	1.9
72.08154	0.6
73.02916	0.7
77.76821	0.5
81.03416	0.9
84.08149	0.9
84.96033	7.5
85.02895	2.7
91.05432	0.9
94.51274	0.6
97.02879	2.0
97.96828	0.8
98.97581	47.0
102.97047	0.8
110.97548	6.4
112.99123	3.9
116.07074	1.9
116.98621	21.0
117.13418	0.7
119.01923	1.9
119.04919	1.2
120.07494	0.6
124.99122	1.3
127.03886	0.9
128.98602	7.9
131.00171	4.5
131.01913	0.7
134.99666	6.1
135.03368	1.0
140.00166	1.3
140.98587	2.4
143.00151	6.8
143.01878	1.0
144.10164	0.7
144.98083	2.5
146.99663	4.9
147.04401	2.1
149.01183	2.1
152.98618	4.0
153.00661	0.9
155.00148	1.3
157.03490	0.6
157.98920	0.9
158.99648	11.1
161.01219	8.1
161.02786	0.9
162.99129	2.6
170.99632	7.3
173.01257	4.8
173.02731	1.1
177.00710	10.2
177.04205	1.0
179.02301	0.9
182.99600	1.3
184.04932	0.9
184.55002	0.8
185.01176	0.8
189.00713	5.0
189.06165	0.6
191.02284	3.0
193.05437	0.8
197.01250	0.7
201.00731	5.0
201.04373	1.5
201.06087	0.9
203.05374	0.8
205.00198	0.8
205.03893	1.1
207.01877	0.7
214.11090	0.6
218.06885	0.8
219.01759	18.8
219.05359	1.7
221.04884	1.1
237.02806	25.7
238.03392	0.7
242.03392	1.0
243.01822	1.5
245.04790	0.8
255.03885	1.9
260.04300	0.7
261.02832	2.5
261.06479	11.5
261.09164	0.7
263.28708	0.6
274.08261	1.1
274.58304	0.9
279.07504	100.0
280.07932	1.4
297.08588	20.9
302.09048	4.3
303.07507	13.1
311.78201	0.6
317.05438	0.9
320.10217	1.6
321.08539	76.0
322.08960	1.3
335.06555	1.3
335.10089	10.0
339.09549	3.7
344.10165	4.5
347.06403	11.7
353.07547	1.2
363.09601	40.4
364.09662	1.1
365.07370	21.1
367.09012	0.7
375.09567	5.7
383.08548	1.1
388.09003	1.8
395.08633	0.7
407.08698	1.5
527.14996	5.7
528.14673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01854	0.9
55.05511	3.5
56.05021	2.1
57.03462	0.6
57.07064	2.6
58.02942	0.6
60.04527	52.3
65.03934	0.9
67.04227	0.8
67.05507	7.8
69.07075	3.6
70.02950	0.6
70.06590	1.0
71.03274	1.2
71.08629	1.1
72.04514	1.5
79.05501	5.0
80.05002	2.0
81.07065	7.5
82.06581	14.0
83.04990	1.2
83.08614	3.2
85.06536	1.0
85.10180	0.8
89.06022	2.2
90.05530	0.5
91.05481	4.1
93.07048	9.9
94.06566	13.0
94.07133	1.0
95.04968	10.1
95.08617	4.5
96.08121	2.2
97.06525	1.4
97.10165	1.2
98.09684	3.2
99.08086	0.7
101.74168	0.5
103.05473	1.8
108.08097	3.0
109.06464	1.0
110.06052	3.3
110.09690	8.1
111.08088	2.4
111.11800	0.5
112.07623	1.1
120.08109	5.9
121.06511	4.8
126.09147	8.3
128.10681	0.7
133.08611	1.5
138.09140	37.9
139.07521	4.8
144.10188	0.9
146.54959	0.4
150.43648	0.5
156.10194	23.2
163.14951	0.5
174.11259	7.6
327.20267	0.9
364.36038	1.0
370.36932	2.0
375.40475	0.5
412.37671	0.9
472.41397	0.7
478.42337	0.7
490.42667	1.9
508.43640	22.9
526.44672	100.0
527.45319	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	526.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46933	1.6
54.83421	2.2
55.05307	1.5
55.05506	15.3
57.03435	12.4
57.03667	2.6
57.07064	3.5
59.04996	4.3
59.92059	1.7
65.03927	3.2
67.05504	100.0
68.37351	1.8
69.07080	15.5
69.36297	11.9
69.36720	7.3
71.04994	3.7
79.00949	2.1
79.05495	9.9
81.06593	2.6
81.07058	37.7
83.01049	1.6
83.08620	13.5
85.06515	2.6
89.06049	10.6
91.05473	8.8
93.07037	8.6
95.05007	2.2
95.08604	27.6
97.06522	2.5
97.10194	3.0
105.07021	2.4
107.08593	4.9
109.10156	76.5
111.08066	5.6
119.08563	7.8
121.10141	4.1
123.11736	5.0
133.08565	6.0
133.10072	3.3
135.11671	2.5
137.09590	3.0
140.78777	2.0
143.79630	1.8
147.11598	3.0
149.13330	2.4
155.10709	3.9
161.13315	2.4
172.31635	1.9
173.11728	24.5
177.11433	2.1
191.98109	1.9
195.90976	2.1
221.43275	2.0
229.14348	92.5
245.22589	2.3
263.23660	3.6
327.19992	5.3
337.27347	66.8
337.98276	1.9
478.98608	2.0
491.37225	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01866	1.6
55.05507	5.4
56.05033	2.1
57.07061	2.9
60.04528	65.7
65.03915	0.9
67.04221	0.9
67.05190	0.9
67.05508	11.9
68.07378	0.8
69.07067	4.5
69.35065	7.0
70.06592	0.9
71.08631	1.0
72.04517	1.1
79.05486	6.3
80.05011	2.0
81.03422	2.1
81.07059	10.6
82.06585	14.4
83.04984	2.5
83.08613	3.8
85.02897	1.0
85.06540	1.3
89.06015	2.7
90.05562	1.0
91.05492	5.8
93.07045	10.8
94.06569	15.1
95.04975	12.5
95.08629	5.4
96.08115	3.0
97.06535	2.1
97.10146	1.9
98.09691	5.5
103.05468	3.0
104.72663	0.7
108.08108	3.6
109.06515	2.3
110.06036	3.5
110.09676	8.6
111.08072	3.1
112.07638	1.2
120.08104	7.8
120.27257	0.7
121.06537	4.6
124.07563	1.2
126.09161	8.5
133.08641	1.5
138.09137	40.9
139.07518	7.1
144.10207	1.2
148.83560	0.9
156.10210	25.5
170.52249	0.9
174.11270	8.6
223.09842	0.9
364.36145	1.0
370.36938	1.6
412.37936	1.3
460.41528	1.3
490.42996	1.5
508.43597	26.2
526.44690	100.0
527.44922	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	526.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	18.2
71.53839	4.0
79.05505	4.4
79.50932	3.5
81.07044	22.4
84.75793	3.4
85.06535	9.5
89.06041	20.1
93.07047	9.3
95.08591	7.2
119.90293	3.4
121.10126	10.0
131.04921	4.3
133.08594	15.3
149.13217	4.8
173.02341	8.5
175.03957	4.9
198.72743	3.7
199.03911	5.5
201.01836	14.4
203.03389	100.0
227.07077	4.7
269.08124	33.4
287.09167	47.3
304.44717	3.8
314.67480	3.5
327.20224	8.1
371.82742	4.2
481.83820	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	526.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07116	0.6
53.03948	0.9
54.20416	0.5
55.01867	0.6
55.05511	0.8
56.05037	20.4
57.03440	0.8
60.04536	1.4
61.02904	0.6
61.45582	0.6
62.06088	2.6
67.05501	2.3
69.03427	3.7
69.07062	1.3
69.43125	2.8
69.43542	1.9
70.06592	17.8
71.04983	1.3
72.04519	1.2
72.08157	2.0
73.14874	0.6
74.06079	100.0
79.05491	2.7
81.03419	2.4
81.07041	3.4
84.04506	1.1
84.08154	2.2
85.02906	4.6
86.03212	0.7
86.09711	1.3
89.03975	0.7
91.05502	3.5
93.07037	4.9
95.04964	2.2
95.08601	3.1
97.02882	2.6
98.06066	1.3
99.04469	1.5
105.03403	2.6
105.07024	2.2
106.06564	0.9
107.04951	1.9
107.08575	3.8
109.02911	3.1
109.06453	0.7
109.10153	3.4
110.07166	1.0
111.08026	0.7
112.07618	3.3
115.05458	0.8
116.07111	1.6
116.47832	0.6
117.05803	0.7
119.04947	1.7
119.08557	0.8
120.04463	0.8
120.08086	1.3
121.02889	1.3
121.10139	1.2
122.06023	0.7
123.03477	0.6
123.04434	2.0
123.11711	1.0
124.07596	2.4
127.03916	2.6
128.07083	1.0
130.08627	0.9
131.08542	0.9
132.08089	1.1
133.02864	1.5
133.10168	3.0
134.06058	0.9
135.04411	16.1
135.11676	3.3
136.03928	2.2
137.05951	1.4
140.07076	1.8
145.02838	1.8
145.04893	0.7
146.06013	1.3
147.04399	4.1
147.08086	0.9
149.05989	2.2
150.09177	0.8
151.03975	1.2
151.07553	0.8
152.07054	0.8
154.05005	4.3
154.44566	0.7
160.07538	3.7
161.06009	1.0
162.05502	2.4
163.03905	19.3
163.07579	0.9
165.05530	1.0
171.08047	1.1
173.13222	0.7
175.03873	4.1
175.07533	1.8
176.07089	1.7
177.05447	3.5
178.04948	0.6
178.08638	3.6
188.03932	0.6
188.07057	10.2
189.09111	1.8
194.08142	2.1
201.09103	0.9
202.08533	1.1
203.07095	0.9
204.06590	1.0
206.08124	82.2
207.06517	5.3
207.08488	2.2
208.09679	1.3
220.09712	1.2
222.07582	1.4
224.09169	12.4
232.13268	1.3
233.11679	1.0
245.15338	1.1
246.11232	6.7
257.15335	1.1
260.12921	3.3
267.13770	0.7
274.12897	0.9
278.13873	7.0
280.08084	1.3
285.14890	3.7
310.08121	0.8
328.19086	13.7
342.88132	0.7
346.20111	25.7
346.24380	1.5
364.08847	0.7
364.16687	1.1
364.21182	17.6
365.21091	0.7
373.60620	0.7
508.25363	3.6
526.18811	0.9
526.26184	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	526.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35056	1.4
55.05507	4.4
57.03442	1.8
59.05007	3.9
67.05502	5.3
67.11099	1.5
69.03431	31.8
69.07057	3.3
69.77667	3.8
69.78076	5.8
70.06586	4.4
71.05031	3.2
73.01845	1.5
79.05504	2.0
81.03419	4.1
81.07054	7.1
83.04990	3.0
83.08630	2.2
84.04461	2.0
84.08164	2.5
85.02897	9.0
91.05483	3.4
93.07027	3.4
95.04910	1.8
95.08598	5.2
97.02869	3.7
105.03395	4.3
105.07027	3.8
106.41737	1.7
107.08616	3.1
109.02885	3.8
109.06532	1.4
109.10168	3.3
110.06087	1.8
111.08069	1.6
118.06541	1.5
119.08562	3.2
121.06477	2.3
121.10182	2.3
123.08047	2.2
123.11745	1.8
125.09635	2.4
127.03934	3.9
131.04939	4.2
137.09601	2.5
138.05516	1.8
145.10155	2.2
147.04420	3.6
157.10127	1.8
159.04413	22.0
163.73796	1.8
169.60646	1.9
175.03912	39.2
176.05307	1.6
187.03903	30.6
187.07561	1.7
189.01945	2.6
189.05457	3.2
199.03880	8.2
199.07562	11.7
201.05505	3.0
203.03447	3.8
213.05582	3.5
215.03372	2.3
215.07024	7.2
227.07079	2.2
229.08601	7.9
239.07013	2.5
241.08565	41.1
243.10182	2.3
245.08095	3.6
253.08688	2.1
257.08170	6.9
259.09744	5.1
260.16806	1.7
261.18314	2.3
262.18591	2.3
269.08167	3.0
269.11905	2.2
271.09698	5.0
277.17731	3.8
278.18195	6.8
287.03519	3.7
288.04034	4.5
289.05261	3.7
293.11670	2.7
311.12900	12.5
318.04431	3.1
319.05051	1.5
324.38519	1.5
328.68658	1.4
329.13831	100.0
347.14755	8.5
364.08548	7.0
482.24554	12.7
500.92386	1.8
526.15521	3.9
526.23389	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.05525	1.3
65.03941	1.2
67.05505	4.0
67.50016	1.1
69.03418	3.6
69.07065	3.5
70.06593	18.4
71.52953	1.4
71.53341	1.7
74.06079	1.3
76.17508	1.2
79.05490	2.6
81.03416	2.2
81.07052	4.2
82.06571	3.8
83.04953	2.0
84.08144	1.6
85.02898	2.6
86.09731	2.9
91.05469	3.8
93.07027	5.6
94.06583	8.6
95.04963	2.8
95.07344	3.8
95.08627	3.6
96.07565	1.6
96.08135	18.0
97.02888	2.2
97.06509	1.8
99.04481	1.3
105.03418	5.9
105.06992	1.9
106.06548	2.7
107.08581	2.2
108.04462	5.7
108.08134	12.7
109.02865	1.9
109.10123	2.1
110.06030	1.5
110.09678	16.2
112.07590	2.9
116.04980	10.4
120.04454	1.6
120.08089	13.4
121.02863	2.3
121.10130	1.7
122.06011	9.5
123.11739	1.6
124.07594	54.8
124.08504	3.0
127.03925	1.8
128.07092	7.2
133.10130	1.9
134.05981	2.9
136.07562	11.9
138.05547	1.7
138.09149	18.9
144.04434	14.5
146.06010	13.9
148.07564	6.3
150.05391	1.7
152.07054	8.7
160.03954	6.0
162.05516	5.7
162.35524	1.4
166.08638	45.2
168.06540	6.1
172.03931	47.6
174.05540	7.7
176.07123	1.5
178.04959	1.7
188.07195	1.4
190.04985	79.5
191.05414	1.2
204.06560	43.1
206.08156	5.8
207.06526	2.9
225.10213	2.2
235.08725	1.6
236.09431	3.5
237.10179	1.4
239.11865	1.6
251.11769	4.3
252.09016	3.0
253.09654	2.3
255.11345	1.5
264.08884	2.2
266.08157	2.3
267.11279	1.7
274.12830	1.8
279.11285	10.8
281.09293	4.1
287.10287	5.1
295.10715	3.0
296.11551	2.2
297.12320	23.2
299.10184	6.8
307.10727	6.0
313.11795	2.1
323.10239	11.1
325.11829	100.0
326.12164	3.1
329.11270	25.5
329.14978	1.7
336.12839	3.6
341.11389	15.8
343.12897	17.3
357.14377	2.2
364.05188	1.7
373.13907	2.2
448.19040	2.9
452.18170	5.8
476.18289	13.0
494.19235	68.6
495.19473	3.0
508.21585	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	526.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30490	0.9
53.03934	1.1
55.05512	1.1
57.03452	1.0
59.45563	0.9
66.16522	1.1
67.05496	2.8
69.03432	2.2
69.07077	2.3
70.06577	4.3
71.53420	1.8
72.04516	2.3
72.08141	1.5
79.05481	3.6
80.05013	2.2
80.16454	0.9
81.03417	1.8
81.07051	3.6
82.06565	3.7
84.08132	1.1
84.20928	0.9
85.02914	2.2
85.06566	1.6
87.03067	1.0
89.03936	1.4
89.32628	0.9
91.05479	2.8
93.07050	4.1
94.06570	7.2
95.04945	1.1
95.07328	3.7
95.08599	3.5
96.08138	14.0
97.02913	1.5
103.05446	1.3
105.07006	1.1
106.06541	3.0
107.04923	2.1
107.08570	2.4
108.04478	19.7
108.08125	11.7
108.29753	0.9
109.02857	1.9
109.10143	2.9
110.06053	1.0
110.09698	11.1
111.36171	0.9
116.04980	6.6
119.04926	1.4
119.08568	1.2
120.04399	1.3
120.08107	11.6
121.02866	1.7
121.10159	1.2
122.06012	10.2
123.06767	1.0
124.07593	50.8
130.06493	4.7
134.06007	2.0
135.04411	1.0
136.07571	12.6
138.09137	20.5
140.07076	2.6
144.04446	13.0
146.06006	16.9
147.04375	2.9
148.07578	5.8
150.05501	4.0
152.07092	8.4
158.06050	2.8
160.03952	5.2
162.05499	4.6
163.03932	1.2
166.08635	17.9
167.07077	1.1
168.06554	21.0
172.03938	44.6
173.04706	1.0
174.05481	11.3
175.03758	1.2
176.07080	2.0
188.07080	13.2
190.04996	65.7
191.05562	1.5
192.06468	1.5
195.09267	1.3
204.06560	42.7
206.08109	13.7
207.06583	2.3
208.09843	1.1
209.10901	1.0
210.09120	3.1
212.06995	1.3
218.11836	1.0
219.03008	1.5
219.06526	1.0
225.10039	1.0
231.03018	1.5
234.09282	1.1
236.09473	2.7
239.56664	1.2
242.11839	5.0
250.08789	1.1
251.11775	3.2
252.08902	1.5
253.09750	2.1
260.12839	16.7
262.53946	1.0
264.09070	1.8
267.11298	1.9
278.10663	1.5
278.13831	3.7
279.11270	8.9
287.10287	1.4
292.27191	1.1
295.10968	1.6
297.12335	21.0
299.10248	3.7
307.10760	9.8
313.11823	5.8
315.12979	1.1
323.10245	11.2
325.11829	100.0
326.11957	2.2
329.11313	9.5
331.12881	2.4
339.13272	1.6
341.11288	15.3
343.09103	1.7
343.12881	18.4
357.14227	2.1
359.12360	4.0
373.13980	9.6
380.17267	1.4
448.18542	1.6
452.18097	4.0
466.19708	1.3
476.18243	8.5
483.15640	1.2
494.19232	70.2
495.19406	3.5
508.20682	8.4
512.20123	4.0
526.20239	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	526.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.00085	1.1
55.01865	1.8
55.05509	1.8
59.04968	1.1
61.02900	1.4
67.05491	2.8
69.03425	8.2
69.07072	6.5
70.06578	5.3
71.04993	1.4
71.52295	1.7
72.00882	3.5
72.08134	1.7
73.02930	1.4
77.03921	2.8
79.05479	2.7
81.03420	6.1
81.07059	4.7
83.08615	2.6
84.04467	1.3
84.08105	1.7
85.02898	13.7
85.06541	2.4
87.00813	3.8
91.05473	5.0
93.07040	3.0
94.06552	1.1
95.04969	2.9
95.08599	4.5
96.08122	2.6
97.02866	4.8
99.04440	1.9
105.01849	3.3
105.03378	4.7
105.07005	2.7
107.04958	5.9
107.08573	2.1
108.08094	2.2
109.02890	6.5
109.10141	1.9
110.09661	4.1
117.06960	1.2
119.04919	1.2
119.08552	1.3
120.08086	4.1
121.02835	1.7
121.10192	1.0
122.03206	1.1
127.03870	8.3
128.07089	1.6
131.08551	2.7
133.02849	21.9
133.06468	7.5
133.07312	1.2
133.10129	1.4
134.06013	1.7
135.04410	23.9
138.09120	4.9
142.07719	1.1
144.05701	1.3
145.06476	7.1
145.10146	1.4
147.04428	7.7
147.08032	9.8
149.05948	1.2
151.03903	44.9
151.33051	1.3
158.07294	2.2
159.02901	2.5
159.04373	2.2
159.08025	1.7
161.05913	1.5
161.09604	1.9
166.08658	7.2
173.05959	2.3
173.09612	6.8
175.03882	1.3
176.07167	1.3
178.04987	24.8
187.11206	1.5
189.12749	1.5
191.07039	1.3
192.06595	1.5
197.09650	1.4
203.10802	1.3
204.06535	1.4
207.06544	2.3
208.06842	1.7
209.06831	1.3
215.10710	13.3
218.08130	3.3
233.11720	100.0
234.12103	2.4
245.12769	1.6
251.12715	3.4
260.12814	9.0
273.15945	2.4
278.13867	56.5
283.10602	1.4
287.05453	1.3
295.10632	1.4
301.11911	2.3
313.11774	3.9
325.11588	1.3
329.11288	2.7
341.11154	1.4
361.13971	8.9
396.56439	1.2
508.20880	1.7
526.22955	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	526.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
53.56655	0.7
55.01865	2.3
55.05505	1.7
55.71348	0.8
56.05019	1.1
57.07069	0.8
60.04519	2.8
65.03942	1.6
66.70622	0.8
67.05504	6.3
68.05024	1.4
69.03440	6.1
69.07064	2.9
70.06592	24.3
71.04977	1.7
71.53712	1.2
72.04501	1.9
72.08147	2.9
73.02919	2.0
74.06094	1.1
79.05482	2.1
81.03403	9.5
81.07056	3.0
82.06582	1.2
83.04957	1.7
83.06087	1.0
84.04507	1.9
84.08141	6.5
85.02905	7.2
85.06547	1.6
86.06048	1.0
86.09702	2.5
90.05570	1.7
91.05478	24.3
93.07021	1.8
94.06567	16.1
95.04979	5.2
95.08604	2.4
96.04498	11.8
97.02892	4.0
97.06497	1.1
98.06025	1.8
98.09698	1.4
99.04442	3.8
104.07211	0.9
105.01929	0.9
105.03364	1.8
105.07018	2.2
107.04941	2.8
107.08572	2.4
108.08125	0.9
109.02881	6.1
109.10150	1.3
110.06074	0.9
110.07156	1.8
111.04430	1.0
111.08087	0.9
112.07607	18.5
113.06029	1.0
114.05521	1.0
116.07107	1.5
119.04942	28.3
119.08554	2.4
120.08094	2.2
121.02865	2.9
121.06573	1.1
121.10146	1.3
122.05165	1.4
122.06024	19.2
123.04393	1.6
123.08074	1.7
124.07574	2.6
127.03918	5.6
128.07080	5.1
130.08623	1.1
131.08542	2.0
133.10126	3.7
134.06020	1.0
135.04387	1.5
136.06174	19.8
136.07513	2.1
137.05952	2.3
138.05542	1.4
140.07063	47.2
142.08632	2.0
143.08585	1.0
145.02837	1.8
145.04959	2.1
145.10204	1.0
146.05977	1.3
147.04413	27.6
147.06789	1.3
147.07912	1.1
148.07530	1.5
149.02354	1.0
149.05913	1.2
149.09602	1.0
154.05003	6.5
154.33176	0.9
156.10150	1.0
157.03961	1.9
158.08125	44.6
159.02832	1.1
163.03902	4.9
164.07060	1.1
166.08647	1.2
167.06999	1.8
173.13226	1.2
174.11328	1.0
175.03909	46.6
176.07028	1.7
177.05469	2.3
178.05011	1.0
179.07014	2.2
184.09663	2.9
187.55925	0.8
191.14314	1.2
193.12256	1.1
202.10748	5.3
206.08151	1.4
207.06526	100.0
208.06842	1.4
274.12805	1.2
310.13126	0.9
328.13980	2.0
336.12500	1.1
346.12766	3.3
346.19733	0.9
346.88596	1.0
351.10703	4.8
364.08435	1.8
364.19901	7.6
369.11798	5.7
401.51428	0.9
408.16754	2.1
508.18094	3.9
508.31363	1.2
526.17419	2.1
526.29559	3.2
527.15717	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01855	1.9
55.05499	1.5
60.51080	0.8
61.02908	1.7
67.05494	3.3
69.03424	7.1
69.07068	5.9
70.06599	5.4
70.80878	0.9
71.04977	1.1
71.53556	1.3
72.00858	3.3
72.08144	1.2
73.02901	1.2
77.03922	2.3
79.05496	3.6
81.03416	7.9
81.07046	3.4
82.06587	0.9
83.04974	0.9
83.08612	1.7
84.08139	1.8
85.02441	1.2
85.02905	13.7
85.06550	1.6
86.09694	1.7
87.00832	4.9
88.83661	0.7
91.05476	4.5
93.07036	2.5
94.06538	1.8
95.04939	2.9
95.08582	3.9
96.08109	2.8
97.02908	4.6
97.06507	1.2
99.04436	3.3
105.01855	3.0
105.03379	6.9
105.07027	2.0
107.04956	5.2
107.08595	1.4
108.08114	1.4
109.02871	5.7
109.10151	1.6
110.09660	4.1
112.07611	0.9
117.04551	1.0
117.07026	1.0
119.04927	1.1
119.08545	1.4
120.08095	3.3
121.02876	2.5
121.06484	2.0
123.04441	1.5
123.11713	0.8
127.03908	7.9
129.10236	0.9
131.04927	1.1
131.08516	1.4
133.02853	24.3
133.06470	5.1
133.10075	1.2
134.03633	1.3
134.05997	1.1
135.04414	22.9
135.05379	0.8
136.07532	1.1
137.05963	0.9
138.05484	0.9
138.09149	4.9
144.05672	0.9
145.04958	1.7
145.06471	9.6
145.10130	2.1
147.04427	6.5
147.08032	11.7
148.07547	0.8
148.68932	0.8
151.03897	40.7
158.07262	1.1
159.02866	1.4
159.04359	1.6
159.08034	2.2
159.11732	0.9
161.05914	1.2
161.09607	2.7
165.05489	3.1
166.08632	7.1
170.61552	0.7
173.05983	2.7
173.09630	6.1
174.05505	1.0
175.03810	1.8
176.07013	0.8
177.05513	1.4
178.04991	26.1
179.07051	0.8
187.07478	1.1
187.11148	1.8
189.12773	1.7
191.07100	1.0
192.06537	1.8
197.09558	1.0
203.10757	0.8
204.06493	1.4
207.06537	1.1
208.06705	1.0
215.10678	12.0
216.11198	1.0
218.08098	2.8
219.11295	0.8
231.05009	1.0
233.11719	100.0
234.12082	3.1
239.11804	0.8
245.12933	1.2
251.12802	4.1
255.11349	1.2
260.12811	10.3
273.15933	2.0
276.45459	0.7
278.13861	54.4
279.14166	1.8
283.10889	1.0
301.11887	1.9
313.11758	2.9
329.11264	2.8
341.11499	1.1
361.13855	10.9
410.56116	0.8
482.24481	0.9
494.19183	2.4
508.21667	1.8
526.23517	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	525.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.5
55.05507	12.1
57.07081	8.4
67.05501	26.5
68.17123	4.6
69.03426	15.7
69.07072	35.4
69.48527	35.0
70.06590	60.9
71.04987	9.4
72.08141	8.1
74.06091	5.9
76.27235	4.2
79.05521	21.0
81.03417	12.0
81.07059	84.8
83.08605	13.4
84.08146	8.9
85.02901	27.4
85.06544	25.6
86.09705	6.3
91.03970	4.6
91.05493	15.4
93.07038	33.2
94.06596	6.9
95.04985	5.2
95.08610	55.6
96.08150	10.8
97.02892	6.0
97.06538	8.8
97.10143	6.1
98.20768	8.6
99.04456	10.9
99.08086	17.2
105.07047	8.2
107.04964	5.9
107.08585	33.2
108.04485	14.4
108.08104	12.3
109.02889	10.1
109.10152	50.3
110.09671	12.2
111.08076	14.0
115.99682	4.2
116.04963	6.1
119.04950	4.1
119.08583	11.1
120.08106	23.7
121.02853	17.5
121.10156	24.7
122.06004	11.9
123.08067	4.6
123.11710	39.8
124.07580	40.1
125.09669	6.8
127.03912	10.8
128.07077	7.0
130.06543	11.9
133.02806	6.3
133.10100	7.2
133.81459	4.1
134.06030	5.6
135.11711	16.9
136.07571	18.6
137.05893	5.2
137.13264	15.1
138.09134	30.7
141.12677	6.1
144.04428	12.4
145.10130	7.2
146.05989	10.9
147.04422	10.0
147.11687	9.3
148.07594	6.8
149.13280	22.5
152.07127	6.4
162.05565	6.2
163.11229	4.5
163.14803	17.3
166.08661	19.3
167.14365	8.7
168.06613	16.1
172.03969	40.5
174.05537	11.9
175.03867	7.3
176.07126	8.0
177.05585	5.0
177.16383	18.6
188.07076	40.6
190.04994	70.4
191.17862	5.0
199.08748	9.6
204.06525	46.0
206.08186	13.0
207.06503	13.6
210.09152	8.0
217.19424	9.1
218.11659	5.4
227.08194	6.0
242.11797	19.5
251.11719	6.2
260.12790	49.9
260.15424	6.8
263.13977	12.2
273.25803	10.8
278.13898	9.4
279.11191	15.4
279.26758	6.5
291.26855	45.7
297.12381	14.8
307.10730	9.5
309.27826	26.5
313.11743	6.7
323.10428	12.4
325.11862	100.0
327.28867	7.8
329.11685	5.1
341.11285	10.4
343.12881	22.3
373.13989	9.7
494.19312	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	525.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
55.05516	7.5
57.03418	1.3
57.07067	1.7
61.02921	1.0
67.05502	9.8
69.03426	10.4
69.07063	7.5
69.81909	5.4
70.06596	1.6
71.04996	3.1
74.19444	1.1
79.05495	12.7
81.03403	8.3
81.07055	21.7
83.04977	11.1
83.08616	5.4
85.02912	7.6
85.06559	6.7
86.09724	1.3
87.00830	3.5
89.03178	1.3
91.05484	9.3
93.07041	22.2
95.04961	2.6
95.08059	1.4
95.08609	14.8
97.02899	3.6
97.06525	3.3
97.10221	1.5
99.04492	1.4
99.08088	1.3
101.34825	1.0
105.01874	1.4
105.07027	19.4
107.04951	5.7
107.08594	18.9
109.02893	3.7
109.06532	5.6
109.10153	17.8
111.08075	4.1
113.09626	6.0
117.07007	1.4
119.08579	28.5
120.08055	1.1
121.06522	4.3
121.10144	27.3
122.07290	2.7
123.08032	2.7
123.11710	8.3
125.09668	4.9
127.03927	6.0
131.08557	3.8
133.06505	2.1
133.10130	47.5
135.08080	3.7
135.11734	8.6
137.09618	32.3
139.11160	5.6
143.08571	2.2
145.04958	1.4
145.10123	6.0
147.08040	4.3
147.11687	8.9
149.09627	6.1
149.13278	4.7
151.11162	12.8
157.10146	3.7
159.02818	1.0
159.11674	4.5
161.09612	6.4
161.13275	5.8
163.11223	2.2
165.12822	2.5
166.13046	1.1
171.11761	2.0
173.13289	2.1
175.11244	3.1
175.14836	25.0
179.10695	1.1
185.13284	4.8
189.12749	3.0
191.14287	2.4
193.15924	2.5
201.16438	4.9
203.14355	8.6
213.04062	1.1
217.15909	3.5
241.19609	3.8
259.18198	0.9
259.20575	36.0
277.21628	100.0
278.22061	2.4
289.21704	1.7
367.22592	2.0
445.26022	2.3
489.25085	2.8
507.25214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.2
55.01859	6.4
55.05511	10.7
57.03418	4.7
57.07061	5.8
65.03915	2.6
67.05506	22.5
68.99769	2.9
69.03429	35.0
69.07072	8.4
70.06571	6.4
71.04983	4.6
71.53156	1.9
72.08154	2.0
73.02890	5.0
73.29848	1.6
79.05489	10.7
81.02995	2.2
81.03423	26.8
81.07053	27.7
83.04981	9.8
83.08615	2.5
84.08131	3.8
85.02902	33.5
85.06542	70.2
86.09709	2.1
86.10809	1.4
87.00821	12.6
87.04477	1.9
91.05481	11.4
93.07047	14.1
95.04980	10.1
95.08607	25.4
97.02881	13.5
97.06513	2.9
99.04479	9.7
99.08092	67.5
103.05464	1.5
105.01873	7.6
105.03391	1.8
105.07028	27.8
107.04931	4.4
107.08588	18.8
109.02876	21.0
109.06518	13.6
109.10158	13.9
110.98393	1.6
111.04382	2.2
111.08047	4.9
115.29539	1.6
116.32520	1.6
117.07008	2.5
119.04919	2.5
119.08576	26.4
120.08096	2.1
121.02839	6.0
121.06523	3.0
121.09329	2.6
121.10151	36.2
123.08066	8.2
123.11709	9.4
125.05990	3.9
125.09631	15.4
127.03913	26.3
129.01828	2.4
129.07051	2.7
131.08539	7.1
133.06517	2.8
133.10136	19.7
135.08092	2.8
135.11674	6.2
137.05989	2.9
137.09630	10.0
137.13249	4.0
139.11223	7.2
143.08539	5.7
145.04910	5.7
145.10153	9.7
147.02811	1.9
147.07996	3.7
147.11691	35.6
149.09607	3.8
149.13167	3.1
150.05501	2.5
151.11159	4.9
156.09306	2.5
157.10162	7.7
159.02940	9.3
159.08099	1.9
159.11685	10.4
161.09639	3.8
161.13254	6.2
163.03885	2.7
163.11151	2.9
163.14803	1.5
165.09096	9.9
165.12770	18.9
166.09406	3.6
167.03323	2.3
169.10184	1.8
170.10938	4.0
171.11729	7.3
173.09639	1.9
173.13222	7.2
175.07448	1.8
175.11192	4.6
175.14847	5.4
177.12805	2.1
179.14294	14.8
185.13260	12.1
189.12785	2.2
189.16283	1.7
191.14273	2.1
199.14841	11.0
201.16373	14.6
203.14322	6.4
205.46431	1.5
207.06543	2.9
217.15880	3.9
231.04964	4.6
231.17000	1.5
241.19542	7.8
259.20581	100.0
260.20871	2.3
275.07590	2.1
277.18222	1.9
277.21664	9.4
351.20584	1.7
481.23831	6.0
525.26801	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2314
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
53.03957	0.6
55.01876	0.5
55.05513	1.0
57.07062	0.5
67.05505	1.0
67.08602	0.4
69.03424	1.9
69.07083	2.1
70.06588	1.3
70.64734	0.5
70.65063	1.1
71.04987	0.5
79.05475	1.2
81.03411	1.7
81.07063	3.4
82.93011	0.4
83.04989	0.9
83.08630	0.5
84.08165	0.5
85.02912	1.8
85.06541	1.1
86.09692	0.6
87.00823	0.5
89.06026	0.7
91.05480	1.2
93.07037	1.8
95.04970	0.9
95.08599	2.2
97.02905	1.3
99.04445	0.6
105.07031	1.6
107.04913	0.4
107.08581	2.4
109.02883	0.7
109.06480	0.6
109.10160	2.1
111.04478	0.5
111.35931	0.4
119.04940	1.1
119.08591	1.3
120.08139	0.5
121.02885	1.4
121.06535	0.7
121.10170	0.6
123.08130	0.5
123.11732	1.3
127.03991	0.5
131.08575	0.7
132.25752	0.5
133.06497	0.5
133.10159	0.8
135.11696	0.9
145.10141	0.9
147.04437	1.1
147.11699	1.2
149.02383	0.8
149.13258	0.5
159.04462	1.0
159.11693	0.8
167.03412	1.0
171.11749	0.4
175.03929	2.7
187.03940	1.3
201.09105	0.5
207.06557	2.1
208.06950	0.6
241.08725	1.0
243.04851	1.2
245.06351	1.2
259.16739	3.7
261.18292	8.5
271.13303	1.5
277.17758	13.1
287.03699	9.1
287.06650	0.7
289.05273	8.5
329.13879	2.4
332.53580	0.5
364.08176	0.6
421.21899	1.3
439.23114	4.1
463.23062	0.9
481.24142	23.8
482.24606	0.6
507.22141	2.7
525.23102	100.0
526.23431	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	525.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08762	2.0
51.89998	2.1
53.03948	11.7
55.01867	3.6
55.05508	13.8
55.37625	2.3
55.53572	2.1
57.03426	5.7
57.07072	6.7
57.19065	1.8
59.05310	2.3
61.02910	2.9
65.03934	2.8
67.05501	22.9
68.99789	2.8
69.03428	45.5
69.07063	10.7
69.95703	8.1
70.06586	7.5
71.04990	6.0
72.25340	2.4
73.02902	2.9
79.05489	13.8
81.03411	33.5
81.07047	29.0
83.04987	9.5
83.08591	5.4
84.08136	6.7
85.02898	34.3
85.06543	59.8
86.49789	2.4
87.00819	12.1
87.04462	2.4
89.01318	2.1
91.03973	2.6
91.05465	14.7
93.07044	16.1
95.04965	9.5
95.08601	28.8
97.02901	13.1
97.06528	2.6
97.81657	2.4
99.04457	9.5
99.08089	68.7
105.01852	11.1
105.03387	2.6
105.07031	24.6
107.04948	4.0
107.08572	15.7
108.35614	2.4
109.02875	22.8
109.06521	12.9
109.10152	21.5
111.08092	7.2
113.09677	2.0
117.07018	7.3
119.04929	4.5
119.08575	30.2
121.02891	5.0
121.06538	3.3
121.10160	34.3
122.09653	4.4
123.08062	7.4
123.11710	9.6
125.05984	5.3
125.09614	22.6
127.03904	35.4
129.06958	2.7
131.08553	6.4
133.06438	4.2
133.10127	21.7
135.08034	3.8
135.11711	7.6
137.09622	10.3
137.13232	2.9
139.11183	5.6
142.07674	2.9
143.08580	8.5
145.04974	8.9
145.06479	2.4
145.10107	13.6
146.06001	2.9
147.04427	4.7
147.11697	29.9
149.05920	2.6
149.09648	5.5
149.13191	3.1
151.07668	2.4
151.11182	4.9
157.10097	11.7
159.02907	9.4
159.11679	14.3
161.09615	7.7
161.13254	5.5
163.11238	3.6
165.09085	24.1
165.12730	16.4
166.09540	10.7
167.07222	2.3
171.11673	6.4
173.09535	2.6
173.13257	5.8
175.03976	2.9
175.06352	4.2
175.11139	6.1
175.14856	6.5
176.06979	7.3
177.05463	5.2
177.07346	3.3
179.14322	9.8
185.13251	11.1
187.14880	3.9
189.12784	2.6
190.08641	21.6
191.08890	18.5
199.14830	11.8
201.16412	14.1
203.14290	6.2
204.14833	2.6
207.06512	3.1
217.15932	3.4
227.12672	8.0
231.04958	5.3
241.19606	9.2
259.20569	100.0
260.21021	3.5
271.05847	2.7
277.17548	2.4
277.21707	12.8
283.20297	2.8
287.05539	2.9
330.38492	2.3
330.44147	2.2
357.14346	2.6
439.22879	2.9
481.23856	9.0
507.32462	8.0
525.21613	26.1
525.27051	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2305
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
52.04304	1.3
52.30518	1.1
55.05508	3.3
57.03438	1.2
62.82799	1.3
67.05496	5.5
69.03431	2.2
69.07063	5.2
70.06596	6.7
71.04974	2.1
71.53677	1.7
72.08160	2.0
74.53194	1.0
75.09090	1.0
79.05489	4.1
79.71815	1.1
81.03429	3.7
81.07053	8.1
83.05001	1.3
84.04516	1.3
84.08147	3.2
85.02895	3.8
85.06533	1.8
86.09704	5.1
91.05468	3.7
93.07040	6.1
94.96999	1.1
95.04993	1.4
95.08591	6.4
97.02898	2.5
97.06461	1.3
105.07030	4.7
107.08585	4.5
109.02862	2.1
109.06521	1.6
109.10149	6.0
110.06082	1.3
111.08041	1.5
119.04962	1.9
119.08596	4.3
120.08078	6.9
121.02867	4.7
121.06491	1.6
121.10142	3.5
122.06079	1.5
123.11698	3.4
127.03957	1.8
129.10156	1.3
131.08543	3.3
133.10150	2.0
135.07973	1.8
135.11653	2.2
138.09131	2.0
145.10127	2.9
149.05988	1.5
149.13333	2.6
157.10168	2.4
159.11722	1.5
159.62862	1.3
166.08655	2.0
173.05875	1.2
175.03923	1.7
175.07527	1.4
175.14784	1.2
185.13242	1.2
205.19513	1.5
207.06650	2.0
223.20453	1.6
227.87605	1.2
245.06454	1.3
251.99673	1.1
259.16800	3.0
271.04160	1.4
277.17780	5.3
289.05325	3.6
302.59149	1.3
393.18729	1.6
421.22086	3.1
437.17917	8.4
439.16171	1.6
439.23035	4.9
445.22095	2.6
463.23001	11.1
481.24152	28.5
489.21091	13.9
507.22064	42.0
525.23071	100.0
526.23682	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	524.3713
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.49568	0.3
55.05497	0.7
56.05035	1.3
57.03429	0.5
57.07074	3.4
58.06347	0.3
58.06607	1.0
60.08165	16.7
60.35203	0.3
61.23267	0.3
67.05510	0.6
67.06465	0.3
68.42994	0.3
69.07067	0.5
70.12875	0.9
71.07378	6.7
71.08625	2.1
72.08154	0.3
81.07041	0.8
82.31280	0.3
83.08619	0.5
85.10169	0.9
86.09706	49.8
88.15848	0.3
95.08595	1.1
98.98466	3.3
101.19862	0.3
104.10742	99.3
105.11041	0.4
109.10153	0.4
118.18913	0.3
125.00001	27.3
143.01056	0.6
163.01573	0.9
166.02716	0.3
184.07341	100.0
198.12273	0.3
206.94966	0.3
240.09911	0.3
258.10986	1.2
269.51804	0.3
304.51547	0.3
311.03836	0.3
341.30432	1.8
447.28656	0.5
506.36050	8.1
524.37103	31.9
525.36963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31165	2.0
55.05511	14.2
57.03441	15.5
57.07062	7.0
59.04996	5.3
67.05505	100.0
69.07064	11.5
69.24551	4.1
69.24957	18.1
71.05002	4.2
71.08607	3.4
74.09715	5.8
79.05493	24.4
81.03427	11.5
81.07059	33.7
83.08615	9.3
85.06564	3.5
85.10188	2.9
91.05485	16.2
93.07037	21.8
95.04961	4.1
95.08603	27.6
98.20781	3.9
105.07030	9.3
107.08588	11.5
109.10155	64.5
117.06976	2.6
119.08563	10.8
121.10135	7.3
123.11693	5.2
131.08574	8.7
133.10147	5.3
135.11696	5.4
137.09622	3.6
145.10132	5.7
147.11700	3.1
149.13254	4.7
155.10719	2.3
159.11813	3.0
161.13229	3.9
163.14847	3.1
173.11775	20.3
173.13210	4.2
187.14735	2.8
193.12268	3.4
218.51013	2.1
229.14348	63.0
243.20953	3.5
247.49031	2.4
261.22107	9.7
267.15955	5.7
268.16263	5.2
300.08615	2.4
313.27457	3.4
314.27701	7.8
335.25793	60.6
335.29852	3.5
368.70151	2.2
423.42029	2.4
489.35681	32.0
506.39120	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	524.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01872	1.8
55.05529	1.2
56.80234	1.3
57.03446	2.3
58.99564	1.9
60.04514	2.1
67.05505	2.2
69.03413	9.6
69.07077	1.6
70.06596	9.9
71.04973	2.3
71.52606	1.7
72.08141	3.8
74.06079	1.9
76.02225	4.3
76.11829	1.3
79.05482	2.4
80.64027	1.3
81.03411	3.3
81.07048	3.5
82.06583	4.1
82.93030	1.6
83.04977	4.5
83.06080	2.3
84.04502	4.3
84.08144	3.9
85.02002	1.3
85.02907	16.8
86.00657	3.9
86.06089	1.6
86.09708	3.9
88.03997	2.2
91.05492	4.2
93.07050	6.7
95.04963	4.5
95.08601	4.1
95.44147	1.5
97.02883	6.4
97.06526	5.9
99.04491	1.8
101.07093	1.7
105.00092	3.5
105.03348	1.8
105.07020	6.5
107.04970	1.7
107.08588	7.4
109.02856	3.8
109.06506	16.7
110.07169	2.6
111.04467	2.0
111.08075	2.9
115.03907	6.5
117.06979	1.8
119.08557	4.9
120.08109	5.1
121.02894	2.5
121.06503	26.2
121.10143	8.1
122.02732	20.1
123.04447	1.5
123.08071	4.0
125.06004	2.9
127.03922	3.6
128.07092	6.7
129.10210	2.8
131.08588	3.3
132.01154	8.8
135.08012	3.0
135.11700	2.7
136.07578	6.2
137.05948	2.7
137.09625	3.0
139.07538	12.7
145.04875	2.0
145.10118	2.8
147.04381	2.3
147.08043	3.5
147.11707	4.3
149.05989	2.8
149.09631	4.6
149.13174	1.4
154.04924	1.7
157.10114	3.2
159.11696	5.7
161.09660	1.9
163.07504	1.5
163.11179	23.9
165.09184	2.2
165.12778	2.9
167.05638	3.2
167.07036	48.5
172.04379	2.0
172.08946	2.0
177.05472	2.4
177.12698	7.4
178.05014	4.1
181.12206	2.1
183.31613	1.3
185.08083	4.8
187.11198	5.5
190.05276	1.9
193.12228	4.4
205.12247	23.8
206.04611	10.0
223.13272	20.6
241.14325	28.7
344.15170	3.6
345.13608	25.1
362.16302	100.0
363.16708	3.3
391.40414	1.5
391.61224	1.6
506.21271	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	524.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01861	1.0
55.05499	0.7
57.03432	0.7
57.63682	0.4
61.02916	0.5
67.05487	1.5
67.53225	0.3
68.99790	0.5
69.03433	4.9
69.07069	2.4
70.06571	1.2
71.04980	1.2
71.52392	0.4
71.52773	0.4
73.02908	0.9
79.05485	1.3
81.03425	4.6
81.07054	2.5
83.04967	0.7
84.08129	0.9
85.02911	5.8
85.06533	2.2
86.09708	0.6
87.00841	2.6
91.05469	1.5
93.07030	1.3
95.04964	0.8
95.08599	1.5
97.02901	2.3
99.04445	1.8
99.08090	2.3
105.01865	1.5
105.03345	0.4
105.07016	1.4
107.04888	0.5
107.08582	1.1
109.02885	4.3
109.06491	1.2
109.10145	0.8
117.01890	0.5
118.06559	0.4
119.05010	0.5
119.08578	1.4
120.08119	0.6
121.02882	0.4
121.06475	0.5
121.10112	1.1
123.11731	0.6
125.09592	0.9
127.03915	4.4
131.08557	0.9
133.10133	0.9
134.06003	0.8
136.35124	0.4
137.09610	1.1
138.10384	0.8
142.42537	0.4
144.08081	1.5
145.04955	1.0
145.10097	0.7
146.04974	0.7
146.06009	7.1
147.06816	1.1
147.08000	0.4
147.11679	1.3
148.07568	5.3
157.10146	0.6
159.02890	1.7
159.11705	1.2
160.07613	2.1
161.09651	0.5
162.09154	0.5
164.08195	0.4
165.09111	5.8
172.07553	4.1
173.08205	0.5
174.09178	1.4
175.06291	17.7
175.11241	0.5
176.07079	22.9
179.06993	0.4
184.07530	0.5
186.09105	0.4
188.07062	2.4
190.08636	100.0
191.09001	1.8
197.08406	0.9
198.09123	3.0
198.12799	1.0
201.16385	0.7
202.08652	1.5
207.06538	0.4
210.09196	1.2
211.09921	2.8
217.15813	0.5
226.12271	24.0
227.12592	1.0
231.04947	0.6
244.13319	4.9
258.07635	1.4
258.14948	2.8
258.19821	1.2
259.20584	2.2
259.45654	0.4
276.07715	0.7
276.15994	6.1
457.59903	0.4
480.21924	0.7
492.18634	2.1
506.32205	1.2
524.20959	4.7
525.22351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.8
55.05509	58.1
57.03428	27.1
57.07074	59.3
66.93644	6.7
67.05239	6.5
67.05506	73.9
69.07063	25.2
69.95411	5.9
70.02923	37.6
71.08638	38.9
73.55146	7.0
73.81474	6.0
79.05490	35.6
81.03421	95.2
81.03879	11.5
81.07053	74.2
83.08620	53.0
91.05466	33.5
93.07030	32.7
95.04967	30.6
95.08588	51.8
97.10163	49.3
105.07031	28.8
105.75111	7.2
107.08601	42.2
109.10136	24.5
111.08050	8.2
119.08555	23.7
121.10125	27.5
123.11687	11.7
125.09614	29.2
129.07002	16.0
131.08563	17.3
133.10144	14.6
135.11679	17.1
138.55206	7.1
147.11685	8.4
149.13176	9.7
154.76500	6.6
157.10201	10.5
157.70313	7.6
175.01930	7.7
184.07381	7.4
189.11208	27.4
193.12224	74.8
211.13316	12.2
227.12790	28.0
245.13838	31.5
261.22110	30.8
267.15927	100.0
274.94824	7.2
313.27304	95.9
335.22061	6.8
335.25708	32.4
505.39600	47.7
523.24377	12.1
523.40332	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	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
53.79626	4.9
55.05505	17.3
57.03444	26.3
57.07084	52.5
67.05502	37.2
68.21359	6.3
69.07063	20.3
71.08630	35.0
71.53833	11.2
79.05478	24.0
81.03416	100.0
81.07052	50.8
83.04992	6.9
83.08614	27.5
85.02900	6.3
85.10172	21.8
86.09705	15.0
91.05456	28.4
93.07033	23.8
95.04964	31.7
95.08607	41.9
97.06550	7.9
97.10168	12.8
104.10747	33.8
105.07002	29.0
107.08568	10.1
109.06560	7.6
109.10166	25.8
111.08060	8.6
119.08596	23.9
121.10154	17.3
123.11662	9.5
124.99970	8.8
125.44127	5.9
129.07034	13.0
131.08611	16.2
133.10156	7.4
147.11731	15.8
149.09648	6.3
157.10107	15.8
175.11127	11.0
184.07297	26.3
193.12279	72.9
211.13277	25.3
239.23637	6.2
267.15860	77.6
313.27347	64.6
334.27774	5.3
390.93494	5.5
469.26599	5.8
505.39114	47.5
523.39813	53.7
524.37103	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.6
55.05504	12.9
56.50412	3.6
57.03439	18.9
57.07080	37.7
60.89296	4.5
67.05493	23.4
69.07062	13.3
71.08634	33.3
71.53112	4.9
76.70168	3.6
79.05492	17.9
79.57115	4.0
81.03423	91.4
81.07051	23.0
83.08626	29.6
85.10179	20.4
89.06020	6.8
91.05492	13.7
93.07056	7.6
93.93404	3.7
95.04987	24.9
95.08601	32.0
97.10162	6.3
105.07030	18.1
107.04917	5.9
109.10174	10.7
111.08088	6.1
119.08585	17.7
120.79152	4.6
129.07034	6.3
130.80563	4.0
131.08601	10.1
133.10153	4.5
147.11604	5.1
157.10101	12.7
163.11165	3.9
175.11084	5.5
193.12227	52.6
195.11659	3.8
239.23848	9.9
249.14847	5.2
257.24969	5.7
264.68213	4.2
267.15918	93.8
269.99094	3.9
313.27344	100.0
505.38943	56.0
523.39661	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01883	1.5
55.05510	15.8
57.03446	7.5
57.07079	41.9
57.74908	1.4
64.35753	1.5
65.83418	1.4
67.05501	28.1
69.03436	2.3
69.07072	15.3
70.69395	2.9
70.69795	3.3
71.05008	2.0
71.08634	27.6
72.08167	2.3
79.05115	1.9
79.05497	14.8
81.03423	37.0
81.07053	34.0
83.04972	7.1
83.08617	24.4
85.02899	18.3
85.06554	1.7
85.10183	15.0
91.05473	16.6
93.07055	12.2
95.04966	17.2
95.08605	27.8
97.06563	2.3
97.10178	7.3
100.07620	1.4
104.10738	1.8
105.07038	12.5
107.04971	3.7
107.08603	5.7
109.06493	2.9
109.10178	14.1
111.04446	1.7
111.08088	6.1
111.11731	2.6
113.06005	2.2
115.05447	2.0
117.07012	1.5
119.08578	10.2
119.66752	1.3
121.10131	6.7
123.08095	1.4
123.11707	6.1
129.07002	5.9
131.08562	4.9
133.06442	1.8
133.10114	3.4
142.07845	3.0
145.10118	2.9
147.11684	9.6
151.11174	1.5
157.10124	7.3
175.11166	9.2
193.12254	39.9
196.16568	1.5
211.13295	44.8
211.15302	2.3
228.13011	1.8
229.14348	1.7
239.23746	4.8
249.15018	1.4
267.15897	8.1
298.76437	1.7
313.27362	8.0
342.42209	1.4
381.98688	1.6
428.94385	1.6
505.38937	4.9
523.39941	100.0
524.39685	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01868	1.3
55.05514	14.9
57.03442	6.8
57.07079	40.3
59.58440	1.0
62.24976	0.9
65.03941	1.2
67.05508	26.0
68.47566	0.9
69.07069	11.5
69.73642	5.2
71.04982	4.5
71.08635	29.7
72.08164	1.1
74.30624	0.9
74.33113	0.9
79.05493	15.8
80.04221	0.9
81.03419	37.5
81.07062	31.9
83.04982	6.9
83.08627	26.1
85.02906	20.1
85.09726	1.3
85.10189	15.2
86.09718	1.3
91.04919	1.0
91.05482	19.2
93.07056	9.9
95.04976	15.0
95.08613	29.2
97.02897	1.8
97.06547	1.7
97.10174	7.6
98.20774	2.0
99.11732	1.6
104.10746	1.4
105.07040	15.9
107.04965	2.4
107.08619	5.5
109.06505	3.1
109.10165	12.0
111.04433	2.1
111.08099	6.6
113.06049	1.6
117.07027	0.9
119.08595	13.2
121.06447	1.5
121.10144	8.0
123.11712	7.5
125.13246	1.2
128.06284	1.3
129.06992	6.7
131.08574	8.1
133.06491	2.2
133.10139	7.0
137.09663	1.4
137.13303	2.6
142.07890	1.2
145.10120	1.8
147.08049	2.7
147.11711	10.7
149.09610	4.7
157.10135	8.8
163.11142	1.2
165.12720	2.4
175.11203	10.6
184.07401	1.2
192.29973	0.9
193.12250	43.4
211.13306	47.7
239.23729	5.7
249.15051	1.4
267.15942	11.9
313.27365	15.1
340.13040	1.1
505.39066	4.8
523.39966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61861	4.4
53.03964	5.7
55.05507	23.1
55.41339	4.8
57.03436	13.0
57.07075	57.8
65.29842	4.0
67.05171	7.0
67.05507	50.7
68.78321	4.6
69.07056	19.7
70.19569	22.3
71.04980	6.4
71.08630	44.7
76.78374	4.6
79.05510	24.7
81.03424	100.0
81.07059	51.4
83.04968	7.6
83.08623	37.6
85.02910	15.4
85.10194	19.4
86.09708	11.8
91.05462	25.8
93.07042	19.7
95.04971	28.3
95.08615	44.1
97.06562	4.8
97.10166	9.4
104.10754	21.9
105.07023	21.2
107.04965	8.3
107.08577	9.5
109.10146	24.2
111.08102	6.6
111.41714	4.6
119.08580	14.5
121.10145	13.4
123.11705	9.3
129.07005	10.8
131.08585	10.5
133.10115	12.5
140.80264	4.5
145.10072	5.0
147.11717	10.8
157.10176	15.5
158.96181	4.7
170.36429	4.4
172.95207	8.9
175.11217	11.3
184.07391	29.3
185.07738	6.7
193.10606	9.1
193.12242	74.2
203.00320	4.4
211.13280	25.6
239.23790	8.6
267.15918	72.5
313.27393	68.8
359.13190	4.9
360.64706	5.1
387.11963	12.9
407.41876	5.5
505.38962	39.5
523.24567	53.1
523.40222	63.3
524.24896	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55058	2.1
53.03956	3.1
55.01881	2.6
55.05508	10.0
57.03443	14.5
57.07076	35.8
63.60226	2.4
64.44964	2.1
67.05507	19.3
69.07066	6.5
70.99775	4.4
71.08635	24.9
79.05499	12.2
81.03420	75.2
81.07056	24.6
83.04977	5.3
83.08613	21.5
85.10179	9.3
91.05486	16.1
93.07051	8.9
95.04965	20.1
95.08620	27.3
97.10172	5.4
105.07053	11.1
107.04980	4.4
107.08611	3.5
108.50896	2.2
109.06573	3.1
109.10152	8.7
111.08067	5.8
117.86394	2.2
119.08578	11.9
119.30997	1.9
121.06564	3.4
121.10130	5.7
123.11726	3.9
123.95556	1.9
129.07030	8.6
131.08607	7.1
132.79378	2.5
133.10135	3.6
147.11681	5.1
149.09666	3.5
157.10184	8.0
165.12683	2.8
175.11253	5.2
193.12241	39.9
193.13893	3.1
200.98888	2.4
210.14998	2.1
211.13315	2.3
218.27080	2.1
234.78429	2.0
239.23709	6.0
249.14853	4.6
265.96924	2.4
267.15915	97.3
268.16281	2.8
313.27393	100.0
467.39130	2.2
505.38919	49.3
523.39838	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	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07087	16.6
57.07072	46.5
67.05493	28.8
71.08609	29.5
71.52827	29.3
81.03406	38.8
81.07029	34.2
82.26387	16.7
83.08613	38.0
83.31741	17.2
85.10210	19.2
95.08586	32.2
115.13663	19.1
161.93785	19.2
185.53394	17.8
193.12196	40.6
211.13237	43.3
256.12479	18.6
267.15836	46.1
313.27368	25.0
407.41068	20.4
505.39069	25.0
523.39740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.9
65.03920	0.6
65.92522	0.4
67.05472	1.4
69.03413	0.5
69.07027	0.9
69.74358	3.0
70.06555	0.6
79.05447	0.8
81.07031	0.9
83.45102	0.4
91.05425	0.6
93.06992	0.5
94.06533	1.7
95.04935	1.0
95.08578	0.6
96.04473	1.1
97.68323	0.5
105.07002	0.6
108.67226	0.4
110.06011	0.7
111.04411	0.6
112.07571	1.9
119.08669	0.4
122.05968	2.1
136.03882	0.7
140.07054	1.4
150.05484	0.7
152.89906	0.5
166.04950	1.8
168.06549	16.5
175.82664	0.5
186.07610	4.7
201.05530	0.8
214.04985	0.8
226.04990	0.9
228.06326	0.5
231.05252	1.6
238.05075	0.8
240.06432	0.8
241.33380	0.5
242.04492	6.4
242.08229	0.7
244.06061	1.1
250.04820	0.8
252.06464	0.8
254.04526	1.1
254.08141	0.8
254.11983	0.5
255.05299	1.7
256.06042	2.0
259.04703	2.2
260.05539	7.4
264.06573	1.5
266.04471	1.2
266.08044	0.6
267.05283	4.3
268.05997	3.3
268.09567	0.7
270.07574	0.6
272.05463	3.0
273.06152	0.7
278.08182	2.4
279.08795	0.5
280.06052	3.5
281.06781	1.5
282.07645	4.3
282.10641	0.8
283.04761	6.5
284.05524	70.9
285.05878	2.0
292.05951	1.5
292.09659	1.6
294.07574	1.1
295.08380	1.6
296.05545	9.8
296.09174	5.8
297.06259	3.5
297.09525	1.0
298.03656	0.8
298.07092	17.7
299.07291	0.6
306.07681	2.4
307.08551	2.5
308.05786	0.8
308.09113	5.7
309.06277	0.9
309.09637	0.6
310.07092	50.2
310.10742	23.4
311.07745	2.6
311.10873	0.6
320.09412	0.6
322.07080	2.4
322.10693	15.8
322.14584	1.0
323.07889	2.1
324.08667	39.8
325.09390	11.9
338.10233	41.7
339.06732	1.1
339.11002	65.2
340.11786	98.5
341.12125	3.2
353.98779	0.6
371.10150	0.6
523.17108	100.0
524.17188	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	523.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.1
55.01864	11.3
55.05504	30.3
57.03434	11.4
57.07064	14.1
59.04996	4.8
61.02925	5.0
67.05187	4.3
67.05509	46.8
68.99800	5.8
69.03434	48.8
69.07078	39.4
70.06580	11.7
70.07349	4.3
71.04987	6.6
71.51883	5.1
72.08142	5.2
73.02898	4.3
79.05499	27.8
81.03428	30.2
81.07063	99.7
82.07248	3.9
83.04990	19.5
83.08624	20.7
84.08118	4.4
85.02914	43.8
85.06541	15.3
87.00829	15.2
91.05477	33.8
93.07050	44.1
95.04984	21.9
95.08608	100.0
97.02906	25.0
97.06527	15.6
97.10157	17.1
99.04426	16.1
105.03388	10.6
105.07037	48.2
107.04935	7.7
107.08602	55.7
108.08130	4.0
109.02894	21.0
109.06525	15.6
109.10153	68.9
110.09723	5.1
111.04427	8.9
111.08080	17.9
111.11710	8.8
115.03938	8.5
117.07004	11.4
119.04932	4.6
119.08585	29.7
120.08123	4.4
121.06499	11.0
121.10151	38.3
123.04416	6.6
123.08059	11.8
123.11698	34.1
125.09613	9.0
127.03905	16.6
129.06981	10.4
131.04918	4.6
131.08589	20.3
133.06476	5.1
133.10127	26.1
135.08058	11.9
135.11696	27.1
136.07558	7.1
137.05983	10.8
137.09598	18.1
137.13258	15.3
138.09157	5.6
143.08566	7.7
145.06520	5.0
145.10143	24.3
147.04343	7.0
147.07999	6.7
147.11652	18.7
149.05988	4.8
149.09633	9.4
149.13274	21.3
151.03902	8.5
153.09094	6.1
155.08569	6.4
157.10121	10.0
159.02876	5.5
159.08072	5.2
159.11705	12.9
161.09651	11.4
161.13245	10.3
163.07545	5.1
163.11201	8.1
163.14835	10.5
165.05502	6.4
165.09120	6.6
165.12772	6.3
166.08626	11.8
167.03394	4.1
167.07066	5.9
171.11696	9.8
173.09659	8.4
173.13232	9.7
175.07501	4.3
175.11278	5.1
175.14859	5.6
177.09090	4.7
177.16415	7.4
179.10686	5.3
183.11731	5.2
187.14845	4.0
189.03937	4.5
189.05450	5.6
193.12315	4.2
195.08003	4.0
197.13321	5.8
201.03799	4.8
201.16443	4.8
203.17934	4.7
207.06552	6.5
207.10187	7.0
215.10789	4.7
217.12299	4.0
221.18871	4.8
240.20355	5.8
241.15958	4.7
242.08073	19.7
244.63243	3.8
257.18869	5.6
274.07144	7.3
275.20135	6.9
329.28241	5.0
347.29626	4.7
383.29462	10.5
400.10794	4.5
401.30554	16.5
419.24100	4.6
419.31714	7.6
420.68475	4.0
487.30350	11.6
492.17163	5.9
505.31433	15.1
523.21698	22.2
523.28552	5.2
523.33325	8.4
523.40826	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	522.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76637	0.1
55.05503	0.2
56.05038	0.6
57.07084	0.3
58.06356	0.2
58.06622	0.5
60.07848	0.3
60.08161	5.9
67.05500	0.3
69.07062	0.6
70.92043	0.5
71.07378	2.5
72.91617	0.2
81.07059	0.4
83.08639	0.3
86.09705	29.2
88.87344	0.2
93.07019	0.2
97.02175	0.2
98.98457	2.7
102.99013	0.2
104.10739	2.9
121.56461	0.2
125.00002	19.0
166.02657	0.2
166.42343	0.2
184.07336	100.0
185.07648	0.6
235.35889	0.2
281.10434	0.2
339.28842	0.2
382.51871	0.2
410.32578	0.2
504.34418	1.0
522.35461	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.1
56.05024	1.2
57.07061	0.8
58.06594	0.9
60.08162	16.9
61.47196	0.5
62.66069	0.4
64.79261	0.5
66.69371	0.6
67.05508	2.8
68.87300	0.5
69.07062	2.5
71.07378	6.9
71.08594	0.6
71.53202	0.5
79.05474	1.2
81.03409	0.8
81.07052	2.4
83.08619	1.9
86.09705	48.9
91.05503	0.8
93.07031	1.4
95.08595	2.8
97.10168	1.2
98.98477	4.0
104.10741	100.0
105.07067	0.5
105.11078	0.7
107.08607	1.0
109.10148	1.1
121.10132	1.2
125.00001	25.8
125.91273	0.4
135.11702	0.6
154.94087	0.6
163.01582	0.7
172.95238	2.0
181.02629	0.6
184.07336	99.0
185.07709	1.4
190.96278	1.3
246.98901	0.6
251.23767	0.7
258.11139	1.3
308.40707	0.5
316.55038	0.6
325.27524	0.9
339.28870	1.6
410.32513	1.0
504.34512	7.8
522.22235	1.4
522.35529	31.3
523.35364	1.6
548.23956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
55.05274	0.8
55.05517	11.5
57.03441	6.6
57.07061	2.8
61.25992	0.6
67.05508	30.7
69.07072	14.0
70.48313	0.6
71.04985	1.1
71.08634	0.8
71.24985	0.7
71.26351	1.0
73.73652	0.6
79.05133	0.7
79.05499	7.2
80.54922	0.5
81.07061	26.8
83.04983	0.9
83.08623	7.6
85.06538	0.7
86.09709	1.9
86.44246	0.7
88.04002	7.0
91.00363	0.6
91.05480	5.2
93.07050	7.2
95.04967	0.6
95.08613	18.8
97.06522	2.0
97.10162	3.9
98.98486	5.5
105.07034	4.3
106.05023	1.4
107.08591	4.1
109.10152	7.0
111.08069	1.1
119.08622	2.9
121.10134	2.7
123.11658	3.4
125.00011	0.8
130.94385	0.6
133.10159	3.6
133.10976	0.6
135.11688	2.3
137.13211	1.1
142.04942	0.6
147.11711	1.9
149.13194	1.1
151.14842	0.7
161.13300	1.0
163.03935	0.6
163.14803	0.7
173.02162	0.8
175.14796	1.1
184.07314	4.2
185.07713	1.9
228.23274	1.3
263.23627	1.1
337.27383	100.0
338.27716	2.4
350.26932	2.4
522.34192	1.3
544.68408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46372	0.5
55.05514	11.8
57.03443	7.8
57.07061	1.9
60.04515	0.6
64.19638	0.5
65.03935	0.7
67.05505	26.0
68.24928	0.4
69.07069	15.6
69.52521	2.8
69.52927	1.2
71.08610	0.6
74.31832	0.5
79.05494	7.2
81.07055	25.1
82.03697	0.5
82.22193	0.4
83.04984	1.1
83.08619	7.3
88.03991	7.8
91.05481	5.3
93.07047	7.1
93.32598	0.5
95.04980	0.7
95.08608	21.9
96.32330	0.4
97.06515	1.6
97.10173	3.5
98.98476	5.4
105.07021	3.4
106.05022	1.8
107.08601	3.7
109.10157	8.0
110.10457	0.5
111.08075	0.9
119.08591	3.4
121.10158	3.4
123.11721	3.1
125.09597	0.8
133.10153	2.4
135.11707	1.8
137.13255	0.7
140.01085	0.6
145.10170	0.6
147.11670	2.0
155.01047	1.1
161.13281	1.6
163.14807	0.7
173.02119	1.0
175.14789	0.7
184.07335	0.9
186.07974	0.5
191.59319	0.5
219.01949	0.5
228.23241	0.6
263.23682	1.4
309.72546	0.5
337.27365	100.0
338.27762	4.1
350.26721	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01867	1.1
55.05513	1.2
56.05032	0.7
57.03436	1.1
60.04516	1.5
61.02946	0.7
65.03941	1.0
67.05502	1.2
69.03426	4.2
69.07066	1.1
70.06588	12.8
70.10340	1.1
70.10696	2.6
71.04957	1.4
72.08146	5.6
73.02914	0.9
74.06076	1.6
75.57838	0.6
79.05479	2.0
81.03422	4.9
81.07053	2.8
82.06601	0.9
83.04989	1.8
83.06112	0.9
84.04485	2.4
84.08162	3.8
85.02909	3.8
86.09715	7.0
86.61481	0.7
91.05478	15.8
93.07031	1.8
94.06629	0.7
95.04961	1.8
95.08602	1.7
97.02885	2.8
97.06538	1.7
99.04436	1.8
101.06018	1.2
103.05520	0.7
103.24566	0.6
103.73878	0.6
105.03378	2.4
105.07035	1.7
106.03722	0.8
107.04940	1.3
107.08585	1.7
108.04430	0.7
109.02877	3.0
109.06485	2.0
110.07159	1.0
111.04440	1.1
112.07589	1.4
116.07095	1.9
117.07056	0.6
119.04941	25.0
119.08603	2.0
120.08112	6.5
121.02865	2.7
121.06522	1.1
121.10130	1.2
122.34496	0.7
123.04400	2.2
123.08097	1.4
125.05894	0.9
127.03934	3.7
128.07076	2.1
129.05544	1.0
129.10249	1.7
131.08591	1.0
133.10098	0.9
135.04344	1.1
136.07581	2.8
137.05977	3.1
138.09189	0.8
139.07396	0.6
145.02771	0.8
145.04913	1.6
145.10101	0.8
146.06046	1.1
147.04420	26.4
149.02309	1.5
151.11165	1.0
152.07040	2.0
153.01814	1.0
154.04956	5.1
154.08708	1.1
155.07059	0.8
155.08267	0.8
157.03972	1.9
161.09596	0.7
162.05473	1.0
167.07040	2.5
173.13089	0.7
174.09091	1.3
175.03908	38.4
175.14906	1.0
176.04361	1.0
178.04970	3.3
179.07047	2.6
179.10680	2.0
185.16618	0.7
186.09193	1.5
192.04228	0.9
199.01305	0.7
202.08641	1.1
203.10696	1.0
206.04477	5.1
207.06531	100.0
208.06851	2.7
213.12376	2.8
221.11586	3.3
225.07555	0.9
235.10794	1.3
239.12770	4.0
262.10840	1.2
266.30460	0.8
280.08264	1.2
351.10828	1.7
369.11609	4.3
449.68500	0.7
486.30994	0.9
522.19550	1.5
522.28943	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59105	0.1
63.46834	0.1
69.03430	0.4
69.26070	0.6
69.26498	0.3
70.16665	0.1
81.03413	0.5
81.06978	0.1
85.02893	0.5
87.00788	0.3
97.02856	0.2
98.21523	0.2
99.04395	0.1
99.71578	0.1
109.02841	0.3
127.03876	0.3
145.05009	0.1
153.62436	0.1
186.05515	0.2
200.07004	0.4
202.04973	0.1
203.05746	1.4
205.52666	0.1
213.04129	0.2
214.04953	0.7
215.05569	0.1
218.08080	0.2
221.18985	0.1
226.04736	0.1
228.06567	0.9
230.04456	0.4
231.05247	10.6
232.05838	0.4
238.40826	0.1
241.03740	0.1
242.04498	0.5
243.05048	0.1
246.07498	0.4
248.84476	0.1
256.06021	0.9
259.04758	5.4
260.05353	0.1
273.06192	0.3
274.07080	100.0
275.07422	2.3
413.80460	0.1
436.12350	0.2
478.13458	3.3
479.13657	0.2
522.12415	20.5
523.12683	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10876	0.9
53.03931	1.2
55.01874	1.9
55.05515	9.7
57.03436	1.7
57.07079	22.5
65.03967	1.2
67.05505	19.7
69.07073	8.5
69.31145	9.5
71.05006	2.1
71.08634	14.9
79.05495	18.3
81.03379	1.7
81.06586	2.0
81.07059	25.8
83.05004	2.4
83.08629	11.8
85.10181	9.1
91.05482	7.8
93.07045	26.3
95.04960	5.0
95.08612	38.6
97.02885	3.8
97.06519	1.8
97.10166	3.5
99.04459	3.6
99.11751	1.5
105.07030	5.9
107.04974	6.2
107.08593	18.9
109.10165	8.0
111.04449	1.3
117.07039	7.7
119.08578	7.0
121.06508	4.3
121.10138	8.3
123.11703	1.4
125.06001	2.9
126.75732	1.0
129.06918	1.1
131.08588	1.3
133.10069	1.7
135.08020	0.9
135.11693	30.7
143.08586	1.7
145.10133	17.8
153.12727	1.1
157.06693	0.9
163.11191	43.8
164.11430	1.2
181.12218	12.5
209.11803	2.8
227.12788	100.0
239.23766	3.6
283.90146	1.0
284.48923	1.0
313.27298	1.0
437.25940	1.1
521.29053	5.6
521.38391	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01860	3.1
55.05526	10.5
57.07080	26.2
67.05508	19.4
67.52695	1.8
69.07065	8.7
69.89179	7.4
69.89594	4.2
71.08640	12.1
79.05495	16.3
81.07070	23.7
82.15287	1.9
82.29279	1.9
83.08635	12.7
83.10648	1.8
85.10174	7.6
91.05477	6.0
93.07043	28.5
95.04957	7.7
95.08609	40.5
97.02872	3.9
97.06507	3.3
97.10169	2.4
105.07037	7.5
107.04938	5.6
107.08590	17.3
109.10151	8.3
115.95621	2.0
117.07037	8.5
119.08584	6.9
121.06453	3.8
121.10160	8.8
121.76173	1.8
123.11716	3.3
130.07784	2.3
135.11678	29.0
145.10138	20.8
163.11201	41.4
181.12254	9.3
220.86836	1.9
227.12798	100.0
228.13040	2.0
239.23709	3.5
300.37607	2.1
521.38403	67.3
522.38300	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	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.2
53.03939	2.4
53.06745	0.9
55.01863	4.1
55.05513	15.1
55.32172	1.1
57.03439	2.6
57.07074	28.9
58.89649	1.4
59.04965	1.0
65.03944	1.3
67.05505	45.8
69.03421	1.9
69.07063	14.8
71.04982	4.3
71.08631	22.1
71.52055	1.1
71.52455	1.5
77.69792	1.0
79.05492	24.2
81.03417	6.1
81.07058	34.2
83.04983	5.6
83.05413	1.0
83.08614	17.2
85.02907	2.0
85.06538	2.3
85.10184	10.9
91.05461	10.9
93.07043	29.5
95.04987	6.2
95.08607	42.7
97.02904	3.4
97.06522	3.6
97.10176	5.4
99.04450	2.6
99.08084	4.4
105.07019	8.6
107.04959	11.4
107.08592	25.8
108.35751	1.3
109.06523	2.1
109.10147	22.7
109.35416	1.2
111.08072	2.0
113.05979	1.3
117.06998	8.8
118.02735	1.1
119.08591	10.0
121.06511	5.6
121.10154	14.2
123.11674	4.1
125.05990	2.0
129.06982	1.5
130.07832	2.9
131.08539	1.8
133.10120	4.5
135.08055	2.7
135.11688	42.5
135.12724	2.1
137.13300	2.1
138.20901	1.1
139.07501	1.8
143.08531	1.8
145.10132	22.9
153.12761	1.8
157.10095	1.8
159.11731	1.6
163.11180	49.0
165.12752	1.2
173.11714	3.7
181.12206	11.3
191.10687	1.4
195.13734	1.4
209.11734	4.1
227.12779	100.0
228.13113	2.2
233.04503	2.0
239.23711	4.9
265.14386	1.6
265.68707	1.2
275.20059	3.6
293.21118	28.1
294.21375	1.9
297.25162	1.2
421.25900	2.3
521.38855	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01867	2.5
55.05510	7.5
57.03438	4.0
62.16140	2.4
67.05501	11.5
69.03438	11.3
69.07071	11.1
69.85012	12.2
70.06591	2.8
71.04991	3.0
77.03938	5.0
79.05487	12.4
81.03431	16.7
81.07058	22.0
82.80409	2.2
83.04990	3.4
83.08582	2.6
85.02912	11.3
87.00845	3.6
91.05469	11.9
93.07047	10.2
95.04966	8.8
95.08599	15.5
97.02888	5.8
99.04504	3.2
100.11235	5.8
105.03381	4.7
105.07037	18.8
107.04951	4.3
107.08592	9.8
109.02885	12.5
109.06565	3.0
109.10186	14.5
111.04517	2.8
117.07026	5.5
117.14524	2.2
119.04917	2.7
119.08582	10.5
121.06572	5.4
121.10134	6.6
123.11706	5.3
127.03885	6.7
128.06273	3.0
130.90425	2.3
131.04921	2.8
131.08533	6.1
133.02852	43.8
133.06488	7.8
133.10136	6.3
135.04395	12.3
135.11694	2.3
137.05928	3.2
137.72810	2.3
141.05640	2.2
142.07736	2.7
143.08563	5.6
145.06493	9.7
145.10161	8.2
147.04439	8.1
147.08058	10.3
147.11647	3.9
149.06017	5.0
151.03911	31.4
153.01849	7.5
157.06458	4.0
158.11147	3.2
159.08049	8.2
159.11798	4.7
161.05965	3.6
161.09587	4.7
161.13292	3.0
167.07071	2.8
169.07674	2.6
169.10149	2.4
171.08041	11.9
173.06029	6.3
173.09615	13.7
175.07576	6.5
179.85419	2.3
182.28920	2.5
183.08035	4.7
185.09647	10.1
187.07564	5.3
189.09053	3.2
197.09555	2.9
199.07558	9.3
208.08972	3.1
213.09100	9.2
213.12769	3.7
215.10605	6.6
227.14308	4.9
231.05023	3.7
255.13805	100.0
260.03784	4.3
271.39978	2.8
273.07587	11.4
273.14856	7.7
297.14948	3.6
316.02737	3.1
318.04431	3.0
375.34164	2.3
399.18100	8.9
414.10056	12.2
414.14902	2.6
417.19125	6.3
432.10794	4.7
461.90222	2.5
503.14847	9.8
521.20752	7.8
521.32770	3.3
521.40424	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	521.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.05502	2.5
55.46318	1.0
67.05495	3.5
69.03427	3.1
69.07053	3.8
69.30135	10.7
71.04990	1.1
77.03932	5.2
79.05492	3.1
81.03404	7.6
81.07061	7.5
83.04970	1.3
85.02893	3.2
91.05460	2.7
93.07044	4.0
95.04946	3.1
95.08607	4.7
97.02882	2.7
97.06538	1.1
98.21638	1.8
103.05471	1.8
103.64639	1.2
105.03407	2.1
105.07026	4.6
107.04948	2.6
107.08588	3.8
109.02874	4.7
109.06491	1.8
109.10157	4.6
117.07056	1.2
119.08588	2.5
121.06544	2.1
121.10147	6.5
123.11745	1.8
127.03915	3.2
128.06160	1.3
129.06961	1.3
131.08545	3.0
133.02859	27.2
133.06509	3.5
133.10144	1.9
135.04434	13.6
135.11757	1.1
143.08530	2.0
145.06451	4.5
145.10143	3.3
147.04424	5.0
147.08069	3.6
149.05972	2.3
151.03911	19.2
157.06493	4.8
157.10152	2.2
159.08028	4.5
159.11690	1.6
161.05922	2.1
161.13319	1.2
163.11165	1.2
167.07014	1.3
171.08044	13.7
173.09671	3.2
175.07504	2.3
175.11194	1.2
183.08020	1.4
185.09604	5.9
187.07567	2.7
196.87630	1.0
197.13426	1.2
199.07552	4.4
199.11087	1.2
201.37228	1.1
211.11198	2.4
213.09138	3.2
213.12708	8.1
215.10719	1.9
227.14296	3.3
231.69237	1.2
237.12697	2.3
255.13812	100.0
256.14075	1.7
260.03748	1.6
273.14844	12.7
289.09244	1.2
291.35779	1.2
336.56982	1.3
399.18115	6.7
414.10126	7.7
417.19119	6.5
432.11154	4.2
432.72842	1.1
503.15021	2.9
521.15601	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	521.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.1
54.01093	1.2
55.01865	12.2
55.05497	4.3
57.03435	10.0
61.02909	5.8
64.97324	1.4
66.67052	1.5
67.05506	12.5
68.99780	5.8
69.03430	50.7
69.07078	6.5
70.06590	2.1
71.01344	1.5
71.04999	8.3
71.41235	2.8
71.41582	1.3
73.02915	10.0
79.05487	11.2
81.03416	53.8
81.07054	18.8
83.04968	2.6
83.08614	3.1
85.02903	68.7
85.06559	2.8
86.09694	1.5
87.00829	37.2
87.04481	3.1
87.88465	1.3
91.03935	1.9
91.05466	9.0
93.07045	12.3
94.88583	1.7
95.04968	8.5
95.08606	20.2
97.02888	32.1
97.06534	3.6
97.10117	1.6
99.04455	18.4
99.08079	1.9
103.03950	2.3
103.05410	1.9
105.01869	24.7
105.03392	2.5
105.07042	11.3
107.04945	5.2
107.08588	10.6
108.08902	1.4
109.02873	47.4
109.06503	3.8
109.10158	25.8
111.04433	2.0
111.08057	1.5
111.99834	1.4
115.03915	11.0
115.05428	2.1
117.01849	3.7
117.07004	3.7
119.04930	1.6
119.08575	7.0
121.02912	1.7
121.06501	5.1
121.10138	11.8
123.04431	1.5
123.11686	19.4
127.03909	66.6
128.06192	1.9
129.01816	5.1
129.07050	1.9
131.08548	3.5
132.08920	1.4
132.35107	1.7
133.02831	9.1
133.06487	3.7
133.10130	4.8
135.04411	5.6
135.08023	1.6
135.11682	5.3
137.05977	2.5
141.07042	2.0
143.08594	2.6
145.04951	18.8
145.06531	2.4
145.10135	6.2
147.02872	5.5
147.04376	4.0
147.08089	3.7
147.11693	3.8
149.13164	2.5
151.03902	100.0
157.06470	3.2
157.10072	2.0
159.01648	0.9
159.02881	25.2
159.08011	4.4
159.11711	4.6
161.05902	1.8
161.09628	2.7
161.13179	2.1
163.11110	3.0
165.05505	9.2
165.06705	1.7
169.10123	2.8
171.08092	3.4
171.11691	1.6
173.09586	4.3
175.03900	3.5
177.05440	4.3
185.09613	4.0
185.13275	2.2
187.07562	2.3
187.11195	2.8
189.03961	1.8
189.05513	2.9
199.07512	2.2
201.03944	2.0
203.07022	2.3
205.12181	1.9
207.06570	2.0
211.11090	1.6
213.03926	5.5
213.12677	5.3
215.10677	2.2
215.14223	1.5
217.08575	5.5
217.19414	2.1
219.05057	2.0
219.10155	1.5
227.14412	3.8
229.08595	1.9
231.04982	14.6
231.10138	2.5
255.13799	44.1
257.15359	8.6
271.06058	2.6
271.13126	1.7
273.14835	56.2
275.16379	7.3
285.14780	2.0
287.05338	1.8
297.14764	3.9
315.16013	2.2
327.15988	1.9
340.13348	1.4
363.15887	1.8
381.16940	2.6
399.17761	1.9
417.19073	2.9
461.51437	1.4
503.19241	3.8
521.20233	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	521.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.2
55.01872	12.9
55.05505	3.2
55.82245	1.1
57.03436	9.0
59.05000	1.5
61.02929	6.9
65.03947	1.3
67.05502	12.2
68.99783	4.2
69.03429	52.0
69.07055	5.4
70.06599	1.4
70.08086	5.3
70.34196	1.4
71.01360	1.2
71.04987	7.6
73.02612	1.1
73.02921	11.6
79.05491	10.5
81.03419	61.4
81.07048	16.7
83.04976	3.2
85.02905	92.8
85.06538	1.5
86.09724	2.4
87.00823	38.8
87.04467	2.6
91.03946	2.6
91.05469	6.8
93.07035	7.0
95.04962	10.5
95.08607	10.2
97.02892	40.4
97.06510	2.2
98.21449	1.5
99.04454	21.4
103.03945	1.5
105.01869	27.8
105.02579	1.9
105.03372	3.0
105.07034	9.4
107.04980	3.9
107.08587	6.3
108.08917	1.3
109.02876	60.2
109.06499	2.2
109.10155	36.0
111.14007	1.4
115.03945	6.5
117.01847	6.5
117.07022	3.0
119.04937	2.5
119.08574	3.5
119.26390	1.2
121.06501	3.0
121.10151	8.3
123.04442	1.5
123.11695	17.4
127.03914	88.4
129.01826	7.2
129.06953	1.8
131.08574	2.9
133.02881	8.3
133.06464	3.5
133.10135	3.4
135.04379	2.6
135.11621	2.5
137.05969	2.7
142.07729	1.7
145.04961	21.8
145.06465	3.4
145.10135	4.3
147.02887	6.0
147.04428	3.7
147.08043	3.4
151.03899	100.0
157.06464	1.8
157.10136	1.9
159.02904	30.2
159.04153	1.0
159.08127	3.1
161.09657	2.2
165.05487	7.6
165.06821	1.8
169.10181	2.1
171.08076	3.7
171.11761	1.5
173.05986	2.1
173.09633	4.7
175.03918	3.9
175.07481	1.6
177.04037	1.6
177.12752	1.2
179.07129	1.9
185.09628	5.2
187.07568	3.6
187.11185	2.6
189.05527	3.2
191.07074	2.5
191.10606	1.4
195.08011	1.9
195.11774	2.3
197.09598	3.0
199.07581	4.3
201.09177	2.3
203.07011	1.9
204.31189	1.3
205.08636	1.5
207.06564	2.2
211.11174	1.6
213.03925	3.4
213.09088	2.8
213.12753	6.8
215.10660	2.2
217.08551	13.3
219.05002	1.5
227.14343	4.2
231.04958	11.9
231.10147	3.1
233.08183	1.6
237.12717	2.1
247.83868	1.2
253.12480	1.4
255.11075	2.3
255.13780	40.9
257.08264	1.4
257.15277	2.1
271.13492	1.3
273.14880	31.2
279.13766	1.8
285.14908	3.5
297.14758	1.7
315.15933	1.8
317.10800	1.3
381.16928	1.5
395.26480	1.6
417.18967	2.7
521.21033	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	521.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01868	5.2
55.05506	2.0
55.20792	1.2
57.03431	2.4
57.07074	1.7
61.02908	5.0
65.39306	1.3
65.77252	1.3
66.10943	1.3
67.05499	11.3
68.99798	3.7
69.03091	1.7
69.03432	20.9
69.07062	5.6
71.01321	1.8
71.04991	3.2
71.53158	1.9
73.02917	3.4
75.24979	1.3
75.32979	1.4
77.03916	3.2
79.05492	8.1
81.03421	26.1
81.07053	15.6
82.03732	1.8
83.04985	3.7
85.02906	27.4
86.87981	1.5
87.00831	15.5
91.05489	10.6
93.07038	8.9
95.04970	9.5
95.08607	10.6
97.02895	15.6
97.06538	5.1
99.04469	7.6
103.03892	1.4
105.01868	7.2
105.03376	3.4
105.07021	12.5
107.04951	6.9
107.08581	9.0
107.36311	1.5
109.02882	21.5
109.06533	1.5
109.10154	18.0
111.04448	3.5
115.03915	2.1
117.01842	1.6
117.07014	3.7
119.04910	1.7
119.08567	7.5
121.02847	2.8
121.06501	5.5
121.10146	11.8
123.04433	8.0
123.11713	9.8
127.03925	24.4
127.82735	1.2
128.06239	2.3
129.01810	3.0
129.06966	1.3
131.08554	5.4
133.02855	19.9
133.06494	5.9
133.10146	5.4
135.04424	11.6
135.08032	2.6
135.11676	4.2
137.05951	2.8
142.07880	1.4
143.08565	1.6
144.05714	1.7
145.04971	4.8
145.06456	4.0
145.10098	6.7
147.02876	2.5
147.04379	4.2
147.08052	6.9
147.11720	3.1
149.05991	4.4
151.03902	100.0
153.05431	1.6
155.08583	2.3
157.06453	3.4
157.10100	1.7
159.02911	7.2
159.04398	2.8
159.08058	4.7
159.11685	4.2
161.05917	2.4
161.09666	3.4
163.03937	2.4
163.11160	2.7
165.05431	4.1
167.07104	2.4
167.08519	2.0
169.10040	1.6
171.08076	7.1
173.05971	2.8
173.09621	4.7
175.03934	2.7
175.07567	3.8
177.05502	2.3
183.08015	2.2
185.09625	5.1
187.07542	2.4
187.11211	2.5
189.05504	4.0
189.09146	1.8
191.06995	2.7
193.04901	2.7
197.09660	3.4
199.07568	4.0
199.11183	1.6
201.09158	3.3
203.07130	2.2
211.11179	2.9
213.03975	2.0
213.09059	2.1
213.12785	4.7
215.07057	2.8
215.10669	3.1
217.04974	1.4
217.08562	3.9
219.09865	1.3
222.25377	1.4
225.12801	1.9
227.14313	4.1
229.08531	2.9
231.04967	2.6
231.10210	3.3
237.12784	1.5
241.12251	1.8
253.12280	3.2
255.09807	1.5
255.13814	31.8
257.11789	3.7
259.13345	3.1
271.13388	9.6
273.07535	1.4
273.14859	35.1
274.06854	1.5
274.15076	1.6
279.13828	1.9
283.13309	2.5
285.14841	5.2
297.14859	14.4
309.14630	1.7
313.14258	2.2
315.15875	7.7
316.02866	1.4
321.14825	2.2
339.16031	2.1
345.14972	2.3
359.14737	2.9
363.15839	10.9
381.16858	9.2
399.18134	5.4
414.10101	4.6
432.10986	3.4
441.19031	2.2
467.17212	5.1
485.18185	7.1
503.20090	7.3
521.19641	5.7
521.32404	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	521.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.6
55.01859	8.2
55.05501	5.6
57.03428	4.2
61.02934	2.8
67.05508	12.1
68.99797	3.7
69.03435	25.8
69.07059	8.6
69.30898	19.4
71.04984	4.3
73.02905	5.9
77.03889	2.9
79.05484	11.3
81.03414	35.4
81.07054	21.1
83.04972	7.2
85.02909	44.3
86.09673	2.3
87.00837	21.4
91.05474	12.8
93.07050	15.9
95.04963	11.1
95.08621	11.5
97.02882	26.5
97.06516	4.5
99.04446	11.7
105.01869	11.8
105.07023	13.0
107.04951	7.5
107.08567	9.7
108.08961	2.6
109.02882	31.2
109.06497	5.4
109.10159	24.6
115.03915	7.8
115.05417	2.3
117.01883	3.3
117.06998	2.9
119.04933	3.7
119.08589	13.0
121.06492	7.5
121.10120	13.3
123.04420	3.8
123.08070	3.1
123.11722	12.4
125.05965	3.0
127.03918	29.6
128.06224	2.0
129.01797	2.6
131.04910	3.4
131.08540	5.9
133.02869	17.8
133.06470	5.8
133.10112	10.6
135.04405	6.3
135.11659	7.1
137.05960	4.2
142.07729	1.9
145.04930	8.5
145.06456	5.5
145.10143	8.1
147.02882	2.5
147.04399	7.7
147.08006	8.6
147.11661	3.2
149.06010	4.1
149.13203	2.1
151.03908	100.0
153.01744	2.2
155.08508	2.5
157.06439	3.6
157.10112	4.5
159.02905	14.1
159.08064	4.5
159.11705	5.4
161.05917	3.0
161.09616	4.6
163.03906	2.8
163.11183	2.5
165.05492	8.6
165.06847	2.4
171.08061	3.2
173.05995	4.9
173.09653	7.4
175.03859	5.7
175.07558	4.8
175.11235	2.3
181.04929	2.4
181.06416	2.1
185.05865	2.0
185.09570	4.0
187.07639	2.3
187.11217	2.5
189.05429	5.8
189.09138	2.8
191.07051	12.7
191.10614	2.7
193.04927	6.8
199.07463	2.9
201.09106	2.1
203.07040	2.8
213.03915	2.6
213.09094	3.3
213.12801	2.7
215.07047	5.7
215.10732	2.5
217.04997	3.0
217.08611	8.4
227.14369	2.2
229.08586	5.3
231.04889	4.3
231.10124	6.9
255.13817	20.1
267.13800	2.0
271.13318	2.7
272.13565	2.5
273.14871	19.9
274.07025	7.6
279.13736	2.7
285.14841	20.2
287.07590	2.2
295.13321	2.4
297.14783	5.0
312.65628	2.1
313.14291	3.5
313.17810	2.1
315.16010	3.7
321.14719	2.7
345.14941	2.7
363.15723	11.1
381.16855	5.0
436.13464	2.1
467.17252	2.7
485.17844	5.9
503.18912	6.0
521.19250	7.2
521.32172	2.2
522.12262	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	521.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	16.0
55.01857	11.0
55.05502	11.5
57.03424	4.9
61.02919	8.7
67.05508	23.2
68.99776	6.3
69.03433	33.4
69.07054	15.3
71.04990	9.9
76.42322	3.7
79.05509	20.0
81.03421	47.2
81.07054	38.2
82.73323	3.7
83.04961	11.2
83.08637	6.9
84.08123	4.2
85.02904	48.1
85.06539	4.6
86.09664	3.6
87.00830	13.4
91.05456	29.5
93.07037	32.8
93.15521	3.5
95.04968	23.2
95.08584	20.6
97.02903	24.7
97.06516	9.5
98.20754	9.3
99.04436	12.5
105.01875	5.4
105.03389	8.0
105.07042	34.2
107.04935	10.0
107.08583	23.6
109.02876	44.9
109.06480	11.2
109.10163	24.8
111.04421	6.1
111.08029	4.3
115.03903	6.2
117.07001	10.5
119.04905	8.6
119.08556	19.5
120.08128	4.5
121.06488	13.6
121.10162	20.3
123.04443	4.7
123.08038	5.5
123.11689	11.9
125.05994	4.9
125.09609	5.0
126.08545	4.0
127.03914	39.8
128.06216	5.1
129.06923	4.2
131.04883	8.7
131.08548	14.9
133.02849	15.4
133.06421	7.9
133.10114	14.3
135.04384	10.0
135.08020	10.7
135.11671	12.0
137.05992	14.4
137.13206	3.5
139.07597	4.4
141.06984	4.9
142.07684	5.0
143.08539	13.3
145.04945	8.0
145.06503	7.3
145.10144	26.6
147.04370	9.0
147.08037	8.0
147.11711	5.6
149.05910	4.3
149.09659	4.2
149.13251	4.1
151.03906	70.4
153.01808	4.5
153.05412	3.9
157.10149	11.9
159.02902	7.0
159.08086	9.1
159.11656	15.9
161.05960	6.5
161.09618	8.8
162.05606	4.3
163.11215	17.4
165.01770	3.9
165.05539	3.8
165.09077	4.6
171.08025	8.1
171.11778	4.6
173.05959	4.4
173.09613	11.2
173.13184	4.6
175.03899	11.2
175.07515	7.3
175.11177	7.1
177.05489	6.9
183.11650	3.9
185.09592	6.4
187.07724	4.2
187.11185	14.1
189.05460	9.3
189.09120	6.4
191.07071	10.9
191.10625	5.7
193.04764	3.7
197.09576	3.9
199.07484	4.9
201.16492	5.0
203.10672	4.9
205.12242	7.1
207.06551	14.4
211.11198	5.2
213.09114	5.9
213.12563	3.7
215.05667	6.0
215.10617	11.8
216.06065	8.3
227.14355	3.7
229.08527	4.3
229.19284	3.5
230.08022	3.7
231.05109	10.7
243.05144	4.0
244.05621	4.5
251.12988	4.5
253.12300	5.9
255.13850	26.3
255.19525	4.9
256.06030	7.4
256.13400	4.4
257.06735	20.6
258.03958	14.0
258.07184	16.3
259.04266	19.5
267.13589	4.8
272.09259	41.5
273.09601	66.8
273.14847	20.5
274.07080	75.6
285.14801	9.9
286.07098	64.5
287.04492	6.6
287.07440	86.8
297.14999	6.5
313.14301	5.9
358.12866	14.9
359.13150	54.1
363.15900	5.3
399.18015	4.5
477.15619	6.7
477.24304	7.7
503.19183	8.7
521.19110	100.0
522.12329	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51172	0.3
55.01876	0.4
55.05502	0.5
59.64437	0.2
65.03934	1.9
65.61276	0.2
67.05496	1.2
69.03429	0.7
69.07069	2.9
70.06587	0.3
70.19026	1.3
72.08165	0.5
79.05492	0.5
81.03407	0.9
81.07051	2.2
83.04961	0.5
83.08619	0.4
84.08106	0.3
85.02910	0.6
91.05430	0.4
93.03380	1.3
93.07037	0.6
95.04970	0.4
95.08603	1.9
97.02876	0.7
97.10181	0.4
105.03395	0.4
105.07021	0.7
107.04939	1.4
107.08582	0.8
109.02884	0.5
109.06523	0.4
109.10153	3.5
111.04413	0.4
111.67177	0.3
117.07033	0.4
119.08601	0.3
121.02869	1.4
121.06455	0.3
121.10114	0.6
123.04414	0.6
123.11690	0.9
127.03916	0.4
131.01273	2.2
131.08554	0.6
133.02853	0.4
133.06505	0.3
133.10167	0.4
135.04411	0.6
135.08064	0.4
135.11728	0.7
137.02341	2.3
147.04425	0.4
149.02336	33.5
151.03902	8.6
157.10165	0.3
159.08020	0.3
161.05998	0.8
163.03870	3.0
163.07614	0.4
165.05469	1.8
167.03398	78.7
168.03728	0.8
171.08092	0.3
174.85153	0.2
175.03859	0.5
175.07524	0.8
177.05464	1.4
183.68674	0.3
189.05447	1.0
189.09125	0.5
191.07021	9.0
199.07562	0.3
203.07019	1.0
205.08572	1.6
209.08098	3.1
217.08528	2.5
217.12189	0.3
231.13785	3.8
233.04555	0.3
255.13731	0.4
257.04428	0.4
257.61221	0.3
273.14838	100.0
274.15121	1.7
335.41080	0.3
346.01282	0.3
385.11447	0.3
460.20270	0.3
503.19147	0.6
521.19958	0.8
521.27423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.05508	2.2
55.54247	1.0
56.05030	1.2
57.03443	1.2
65.03951	1.7
67.05505	1.7
69.03423	4.6
70.06592	7.6
70.97302	1.4
70.97635	2.1
71.04996	1.3
72.08150	3.0
73.14207	1.1
79.05537	1.0
81.03396	4.8
81.07061	1.3
83.06062	1.0
84.08142	3.6
85.02908	4.3
85.06521	1.0
85.07658	2.1
86.06075	1.2
86.09706	4.1
89.13905	1.1
91.05480	20.6
95.04951	2.3
97.02903	3.2
99.04510	1.2
103.05469	1.0
105.03368	1.6
107.04971	1.7
107.08591	1.3
109.02827	2.2
110.07183	1.8
112.40917	1.0
115.59171	0.9
116.07112	2.0
119.04944	29.9
120.08110	4.2
121.02890	1.2
124.91814	0.9
126.05538	1.1
127.03929	2.4
128.07066	4.5
129.07422	1.2
129.10286	1.4
130.04124	1.1
131.04880	2.9
132.02037	1.1
137.05940	1.3
145.02870	1.7
145.05013	1.3
147.04408	24.5
147.05551	2.0
147.84108	1.1
149.02359	1.6
149.07463	1.3
153.01816	3.4
157.03993	2.4
163.03896	1.4
175.03915	42.9
176.04529	1.2
177.05148	1.0
179.07028	2.6
206.05807	1.3
207.06519	100.0
208.06874	1.7
211.06093	1.1
273.07541	2.1
366.96085	1.0
368.09961	1.0
369.11877	4.2
372.23129	1.0
436.62863	1.1
503.16791	1.6
521.18164	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3397
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
50.09937	0.2
55.05511	1.2
56.05037	1.3
57.03422	0.6
57.07069	0.3
58.06573	1.7
59.07375	0.3
60.08164	16.8
67.05503	3.7
69.07070	1.5
69.43060	1.9
71.07371	6.4
74.90134	0.2
76.24507	0.2
79.05487	1.0
81.07057	3.2
83.08633	0.5
86.09705	52.1
91.05482	0.3
93.07046	0.7
95.08608	2.3
97.10177	0.3
98.98463	3.9
104.10742	96.2
105.07041	0.3
105.11066	0.5
107.08585	0.5
109.10142	0.6
121.10128	0.4
123.11698	0.4
125.00002	29.0
133.10155	0.3
143.01006	0.2
163.01602	0.5
177.54138	0.3
184.07339	100.0
185.07687	0.7
231.21214	0.3
258.10983	1.3
323.25937	0.3
337.27347	1.1
491.71039	0.3
502.32858	9.2
503.32996	0.5
520.33984	25.9
521.34277	0.7
549.11530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58139	0.1
53.12607	0.1
55.05500	0.3
56.05033	0.6
57.03435	0.1
57.07064	0.1
58.06314	0.1
58.06634	0.4
59.07396	0.1
60.08160	6.4
67.05497	0.5
69.07066	0.3
70.06570	0.1
71.07368	2.8
79.05492	0.2
81.07044	0.6
83.08645	0.1
86.09700	32.0
87.10032	0.2
91.05452	0.1
93.07055	0.2
95.08592	0.4
97.10160	0.1
98.98460	2.9
104.10739	3.0
109.10149	0.2
118.12370	0.1
119.08570	0.1
123.11658	0.1
124.99995	22.6
133.10167	0.1
135.13908	0.1
143.00992	0.2
152.02295	0.1
156.95720	0.1
163.01547	0.1
166.02707	0.1
166.08192	0.1
184.07330	100.0
185.07642	0.5
229.68481	0.1
258.10947	0.2
337.27301	0.2
502.32773	0.8
520.34039	1.7
532.79810	0.1
535.13715	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
54.77278	1.9
55.01875	3.1
55.05514	4.4
57.03420	2.9
57.07072	2.0
59.62821	2.1
67.05493	8.3
67.06266	2.3
69.03429	16.0
69.07060	7.2
69.43003	17.8
71.05004	4.6
73.02920	4.2
79.05485	7.9
81.03414	11.5
81.07061	22.7
84.08153	2.5
85.02908	33.6
87.00820	14.0
89.82459	2.0
91.05492	12.7
93.07049	36.2
94.06553	2.8
95.04980	5.2
95.08615	15.5
96.08138	5.5
97.02897	13.7
98.21575	3.8
99.04460	8.0
105.01878	20.3
105.03389	47.2
105.07050	13.9
107.08601	50.5
108.08130	4.7
109.02899	13.5
109.10152	9.9
110.09685	8.7
119.08572	10.1
120.04521	3.0
120.08086	8.5
121.10162	21.6
127.03907	24.4
130.66106	2.1
131.08598	4.1
133.10121	7.4
136.07593	3.2
138.09157	10.3
145.04947	10.5
145.10144	11.3
147.11659	4.8
149.13260	46.3
151.14845	4.0
159.02913	3.7
159.11700	7.7
161.13307	4.4
165.05553	2.5
166.08676	7.9
167.14281	10.5
171.11540	3.0
173.13286	3.6
201.16393	8.2
219.17485	6.4
223.12276	2.9
231.05011	4.8
235.08656	6.2
237.10155	12.6
238.10925	4.3
239.11775	4.0
248.09560	5.0
249.10271	12.5
250.10954	10.8
251.08038	3.7
251.11810	11.1
253.09813	4.5
253.13077	1.9
254.11749	16.3
261.10428	7.3
262.11020	4.3
263.11777	16.4
265.09708	9.6
267.11346	5.8
275.16360	5.0
277.09805	7.3
278.10501	4.9
279.08078	4.2
279.11319	22.4
282.10208	3.0
283.10825	7.6
289.09781	7.5
291.11362	6.9
293.09525	3.6
294.10007	4.3
295.10928	3.7
307.10852	7.0
309.12158	4.1
311.10471	2.9
324.11111	3.2
326.12680	4.0
327.13504	6.5
335.10245	9.5
339.13425	45.1
342.16077	2.7
353.11710	2.5
354.12302	3.4
355.12805	14.9
356.59619	2.2
361.16180	2.7
367.12930	33.3
368.13678	2.5
403.18826	4.6
488.18051	14.7
492.21304	7.6
520.20831	100.0
521.20868	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	520.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01856	1.5
55.05497	1.7
57.03429	1.1
59.04978	1.0
61.02923	1.2
67.01846	0.7
67.05502	5.7
68.99805	1.2
69.03426	5.8
69.07053	2.8
69.72191	1.8
69.72618	2.3
70.06579	1.7
71.04991	3.7
73.02898	0.7
74.06075	1.2
79.05492	5.0
80.04759	0.6
81.03421	4.4
81.06590	1.3
81.07057	23.4
83.04977	0.9
83.08656	0.7
84.04503	0.9
85.02430	1.0
85.02902	10.3
85.06545	4.8
86.09693	1.9
87.00822	4.6
91.05476	5.5
93.07043	14.9
95.04977	2.4
95.08611	10.3
97.02306	0.8
97.02885	4.6
97.06524	1.7
99.04460	2.2
105.01879	3.7
105.03472	1.0
105.07022	11.7
107.04948	0.8
107.08582	13.4
107.87029	0.7
108.08192	0.6
109.02885	4.3
109.06511	1.9
109.10149	6.9
111.08073	2.1
117.07007	2.2
119.04928	2.2
119.08575	9.8
120.05280	0.9
120.08082	5.8
121.02843	0.8
121.10147	7.6
123.08058	2.8
123.11712	2.9
125.09618	0.9
127.03919	6.6
129.01854	0.9
129.06972	1.4
130.05049	1.2
131.08601	4.1
133.10133	10.8
135.08067	1.2
135.11665	3.9
137.09619	5.2
143.08621	1.1
145.02867	1.1
145.04959	2.9
145.10120	11.6
147.04440	0.7
147.11630	3.8
149.09618	1.5
149.13261	3.9
151.11232	3.6
153.01828	4.5
154.02190	1.7
159.02917	1.3
159.11684	9.7
161.13257	7.8
162.02237	0.7
162.05492	0.8
163.11148	3.9
163.14871	1.0
165.12767	1.0
170.07555	0.6
171.02856	0.8
172.44672	0.6
173.13248	3.2
175.14778	1.5
187.14427	0.8
189.16399	2.7
201.16383	13.3
203.17978	0.9
207.06442	1.0
207.17429	4.6
218.11803	1.5
219.17439	10.8
225.18462	6.7
231.04955	2.2
237.18472	1.7
253.12210	1.1
254.12558	1.0
255.19537	1.2
271.06009	63.4
272.06339	100.0
273.06583	5.4
373.17764	2.4
379.41125	0.6
389.18210	1.2
434.11575	1.2
484.29453	0.7
486.34167	0.8
520.11633	3.7
520.25507	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.5
54.35669	5.3
55.01859	4.6
55.05502	10.3
67.05502	14.5
69.03417	9.2
69.07053	9.6
70.33341	13.5
71.04992	18.4
73.83625	5.1
79.05480	16.1
81.03420	10.6
81.07065	60.9
83.05001	6.9
83.08632	10.2
85.02888	27.1
87.00835	6.0
91.05473	25.6
93.07061	25.1
95.04955	6.5
95.08598	17.8
97.02892	12.6
97.06547	10.3
97.10142	5.6
99.04468	6.8
99.08089	14.2
105.01845	11.3
105.07035	63.6
106.83879	6.0
107.08578	33.5
109.02859	8.5
109.06528	9.9
109.10148	20.4
119.08580	29.6
121.10138	20.6
123.11715	15.8
125.09628	49.8
127.03946	11.8
127.07544	5.3
127.11217	9.5
131.08582	13.4
133.10132	100.0
135.11729	11.1
139.11163	6.1
143.10677	96.3
145.04944	7.1
145.10132	22.0
147.11685	36.1
149.13152	8.4
151.11198	9.5
159.11678	20.6
161.13243	45.9
163.11168	5.7
167.14299	9.4
191.17976	6.4
201.16406	23.2
219.17441	72.7
231.04909	5.4
237.18456	19.4
257.06793	17.6
272.09158	42.0
340.50235	5.5
434.14404	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	520.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21241	0.6
53.03949	0.8
55.05510	7.4
57.03437	7.6
57.07062	1.2
60.04530	0.9
60.08151	1.1
65.03944	1.2
67.05505	30.7
67.54059	0.6
68.72990	0.6
69.07068	6.3
69.76251	3.6
71.07376	1.3
79.05490	15.2
81.07055	23.9
81.07533	1.4
83.08613	2.4
85.06516	0.5
86.09718	6.0
87.10029	2.5
88.03989	5.0
91.05471	8.7
93.06487	1.2
93.07043	15.9
94.09906	0.6
95.04965	1.5
95.08607	19.4
97.06548	1.5
97.10147	1.0
98.98460	4.9
104.10752	0.6
105.07017	4.5
106.05016	1.9
107.08597	8.0
109.06511	1.2
109.10157	8.9
113.10713	0.7
116.35027	0.7
117.07045	1.5
119.08587	3.6
121.10123	6.4
123.08054	0.8
123.11695	1.7
124.99991	5.8
126.00327	1.0
131.08559	2.4
133.10114	2.3
135.11674	2.4
145.10059	1.8
146.95827	0.7
147.11702	1.6
149.13257	1.8
159.11722	1.3
161.13284	1.0
163.14777	0.6
163.71602	0.6
173.02086	0.8
173.13246	0.9
184.07336	19.9
185.07690	9.4
186.07797	5.0
231.93169	0.6
261.22241	1.7
335.25793	100.0
336.25989	3.3
348.25238	1.5
361.70264	0.7
419.68069	0.6
520.32953	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	520.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
60.04537	1.2
69.03421	2.5
69.77871	5.1
70.06600	2.0
72.08155	1.4
73.04762	1.4
81.03415	2.9
81.07045	1.3
84.04478	1.1
84.08160	1.3
85.02899	7.6
86.09723	3.2
91.05453	3.4
95.04987	2.3
95.08626	1.3
97.02901	2.7
98.75268	1.2
104.76208	1.1
105.03390	2.0
105.07031	2.2
107.04970	5.9
119.04955	15.3
121.23223	1.1
123.04433	22.2
123.08128	1.4
127.03934	2.0
131.04945	4.4
133.02869	5.7
133.06511	7.6
135.04434	2.4
140.03441	1.2
147.04417	100.0
148.04732	2.4
149.05998	3.5
153.06679	1.6
159.04405	2.3
161.02339	6.0
161.05974	11.7
165.05490	12.6
165.07642	1.4
167.05571	3.8
168.05579	1.2
171.04428	4.5
173.05957	1.3
177.05420	1.3
179.03400	2.6
187.03955	6.5
189.05399	21.3
190.05869	1.1
192.39917	1.2
199.03909	18.8
205.05020	2.4
217.04987	34.0
235.05972	2.2
245.04477	5.9
263.05518	58.3
264.05832	1.7
264.44958	1.0
299.06235	1.9
300.06296	2.1
305.06516	4.5
323.07639	57.8
324.07925	2.4
341.08673	2.7
345.97458	1.8
348.11963	8.7
365.14532	2.2
372.47614	1.3
503.18726	3.5
520.22443	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.0
55.01871	6.9
55.05509	28.7
57.03414	2.8
57.07064	5.4
65.03960	4.2
67.05502	54.8
69.03432	18.2
69.07064	50.9
70.06589	3.4
71.04997	7.4
71.53256	4.9
79.05486	28.4
79.68819	2.4
81.03412	37.7
81.07052	98.1
83.04987	14.0
83.08617	16.8
85.02892	12.1
85.06551	4.5
87.00819	6.7
87.04441	3.4
91.05444	36.1
93.07037	50.9
95.04962	36.2
95.08604	100.0
97.02874	15.9
97.06514	7.0
97.10155	8.9
99.04446	4.7
105.03385	5.5
105.07021	39.9
107.04948	10.1
107.08584	61.9
109.02865	24.0
109.06496	12.9
109.09396	3.3
109.10150	68.9
111.04420	14.9
111.08120	4.9
111.11697	5.9
112.63239	2.6
115.03935	7.0
117.06996	10.5
119.08578	50.4
121.06477	12.1
121.10136	36.4
123.04443	8.3
123.08084	7.6
123.11696	40.1
125.05959	4.5
125.09638	3.3
127.03940	4.5
129.01884	2.7
129.07014	8.6
130.07748	3.0
131.08578	20.2
133.06546	3.6
133.10136	29.7
135.04411	2.6
135.08049	9.8
135.11664	26.0
137.05968	7.9
137.13211	15.0
139.07532	2.4
141.06953	4.7
143.08525	15.2
144.09325	2.6
145.06509	6.7
145.10086	27.1
147.04407	4.3
147.08076	11.3
147.11679	23.9
149.06007	4.9
149.09616	9.5
149.13239	18.0
151.03938	3.1
151.07547	3.2
151.14784	3.2
153.06976	2.6
153.09114	3.6
155.08560	8.7
157.10158	14.0
158.11003	3.2
159.08049	10.1
159.11667	24.0
161.05972	4.0
161.09612	9.7
161.13263	15.1
163.07555	6.5
163.11179	8.8
163.14807	8.9
165.09102	7.5
167.05544	6.3
167.08682	2.8
169.10127	7.8
171.08052	6.4
171.11636	12.9
173.09625	15.5
173.13268	11.6
175.07523	3.7
175.11234	4.4
175.14854	4.8
177.09090	4.8
177.12740	6.2
177.16397	5.8
181.10092	4.7
183.11684	7.8
185.09634	6.1
185.13246	8.2
187.11189	8.2
187.14819	6.6
189.09114	2.6
189.12755	4.2
189.16449	2.7
191.10579	4.1
193.10155	2.6
195.11754	4.4
197.09627	3.2
197.13232	7.2
199.11172	5.9
199.14777	5.3
201.12753	6.1
201.16328	5.7
203.14374	3.1
205.19505	2.8
211.11217	3.7
211.14833	6.5
213.03882	4.0
213.12732	5.9
213.16428	3.2
215.14224	3.8
217.12271	2.6
225.16374	2.7
227.14278	4.5
233.19098	3.8
251.18002	2.8
287.23709	5.3
289.25317	7.0
299.06177	8.1
329.24881	4.1
341.20963	3.2
343.26428	3.9
344.97696	3.2
348.71680	2.9
355.26251	3.5
357.24142	3.3
361.25156	3.2
369.27951	7.3
379.26373	26.4
397.27356	72.0
415.28522	26.3
433.29184	3.6
457.29422	2.7
473.29404	3.5
483.27469	5.2
501.28128	16.8
519.18250	12.9
519.29395	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	519.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55085	0.4
54.88770	0.4
55.05495	0.8
60.51558	0.3
67.05505	2.5
69.07059	0.5
70.01881	1.7
71.41246	0.3
73.04735	0.5
79.05462	0.8
81.07022	1.0
83.04992	3.3
83.08595	0.5
85.06507	1.4
90.07403	0.4
91.05402	0.8
91.05849	0.5
93.07013	0.5
94.24194	0.4
95.04958	0.9
95.08577	0.4
97.10148	0.5
104.04929	0.5
105.06979	0.6
106.06495	0.6
108.04362	0.4
109.10148	1.0
111.50562	0.4
119.08556	0.6
120.04434	1.4
121.10135	0.5
132.04468	2.1
134.05986	1.6
135.08035	0.8
138.32341	0.4
144.08054	0.6
145.10194	0.4
146.05989	0.5
148.03902	1.3
149.04721	2.4
157.66605	0.4
158.06039	0.9
160.03918	1.4
162.05498	1.2
167.05544	0.9
171.11630	0.5
173.11711	0.5
182.81818	0.4
186.09062	0.8
196.07697	0.5
198.05586	0.6
198.09087	0.8
200.07069	1.4
200.10738	0.7
202.04909	0.8
210.05212	0.4
214.04994	1.1
214.08585	2.3
215.09242	0.5
216.06461	0.6
226.04979	1.7
228.06554	1.3
229.14287	0.5
230.02193	0.8
230.04491	16.2
231.04901	0.5
241.07303	0.6
242.08228	0.7
243.05212	0.8
244.06033	8.0
245.06613	0.9
256.06140	1.4
257.06918	2.0
258.03979	15.7
258.07431	1.6
259.04657	1.0
259.08472	0.4
268.06058	1.3
269.06766	0.5
270.03986	3.2
270.07462	0.7
271.04782	2.6
271.08102	0.7
272.05527	7.1
273.06320	69.1
274.06662	2.0
285.06299	1.3
286.07111	2.5
287.07874	14.7
288.08661	50.0
289.08932	1.8
291.19751	0.4
299.06152	1.8
300.05145	0.6
300.08630	1.3
301.39307	0.5
303.07352	0.5
310.07147	0.6
312.08737	0.8
313.09479	0.8
327.10950	3.5
328.08215	1.3
328.11713	1.1
342.13412	0.5
356.11325	2.1
358.12759	0.6
370.13144	0.4
501.22717	0.6
519.17645	100.0
520.17999	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07129	0.5
55.05483	1.5
57.54582	0.4
65.03905	1.6
67.05508	5.0
69.07031	1.5
69.32426	0.5
69.70425	1.6
69.70836	1.5
73.04713	0.6
79.05473	1.3
81.03383	0.7
81.07015	2.3
83.04944	1.8
83.08572	0.6
83.40962	0.5
85.06518	1.4
86.09680	0.5
91.05397	0.7
91.05825	1.0
92.05000	6.7
93.07006	2.3
95.01302	0.8
95.04911	1.1
95.08565	2.0
97.06486	0.6
99.04463	1.2
105.03358	1.3
105.06973	1.6
106.06523	0.6
107.04922	0.8
107.08562	1.5
109.06468	1.2
109.10117	2.5
111.08035	0.7
117.07014	0.6
119.08539	1.8
120.04467	37.3
121.04733	0.6
121.10121	0.9
129.06953	1.0
130.06560	0.6
131.08493	0.8
132.03474	0.7
132.04440	7.5
133.10124	0.7
134.06006	2.8
135.08014	0.6
135.11716	0.7
144.08049	0.6
145.10059	0.8
148.03897	2.7
158.06013	1.2
160.03938	4.1
161.05933	0.7
162.05470	2.7
167.05530	1.2
168.08078	1.0
172.07669	0.5
173.11656	0.7
173.13208	0.5
186.09113	3.6
196.07579	2.6
199.06245	1.1
200.07050	1.6
203.05737	0.6
214.06721	1.1
214.08623	12.3
215.05727	2.2
218.02119	0.9
227.05782	1.2
228.06575	4.8
230.04491	3.7
232.09727	0.9
233.04585	0.7
240.06413	0.6
241.07347	1.8
242.04427	0.8
242.08160	1.7
244.06064	10.0
245.06839	1.1
255.05284	1.5
256.06110	7.2
257.06775	5.0
258.03970	14.4
258.07568	5.3
269.06876	1.2
270.07620	1.8
272.05536	9.3
272.08813	1.0
273.06317	57.0
273.18484	1.0
274.06738	1.0
284.09061	0.8
285.06277	0.7
286.07104	4.6
287.07889	5.7
288.08658	100.0
289.09015	2.1
291.19479	2.2
296.09149	1.6
298.10880	1.0
299.06143	2.0
308.09070	1.3
309.09872	0.8
322.10727	1.1
340.11725	1.3
342.13303	5.5
344.97678	0.9
355.21704	1.2
358.12854	17.9
359.13007	0.6
370.12872	3.5
415.03055	0.6
444.86005	0.7
461.14069	0.6
483.15250	1.0
501.16840	1.0
519.17651	58.5
519.32941	2.9
520.11615	0.6
520.17987	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	519.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.05505	0.6
67.01842	0.2
67.05503	0.7
68.99807	0.6
69.03422	0.8
69.07062	0.5
69.80279	0.2
70.06597	0.3
71.04984	0.4
73.04735	0.3
79.05479	0.4
81.03412	0.9
81.07051	1.0
83.05060	0.2
84.08170	0.3
85.02898	0.9
85.06549	0.4
91.05450	0.6
93.07052	1.4
95.04987	0.5
95.08604	0.9
97.02892	0.7
97.06503	0.3
105.03403	0.4
105.07011	0.7
107.04915	0.3
107.08604	0.5
109.02882	0.9
109.10156	0.6
111.08070	0.5
117.07074	0.3
119.04942	2.6
119.08610	0.8
121.02882	2.5
121.06561	0.3
121.10130	0.5
123.00721	0.3
127.03914	1.1
128.04343	0.3
128.62610	0.2
131.04893	0.4
133.10115	0.7
137.06009	0.7
138.58455	0.2
139.00266	2.1
139.51250	0.2
145.06477	0.3
145.10182	0.4
147.04420	0.4
147.11740	0.5
149.13336	0.3
151.03891	0.4
156.25380	0.3
157.10161	0.4
159.11702	0.3
160.11899	0.3
161.13281	0.3
163.03940	0.3
163.07524	0.2
165.01918	0.3
167.05553	0.5
167.07047	0.2
169.01315	2.0
169.09987	0.2
171.11751	0.2
184.43216	0.2
189.05426	0.3
190.65572	0.2
199.14799	0.2
201.05324	0.3
207.06517	0.3
208.08804	0.2
219.06598	0.3
236.17105	0.3
241.04794	0.3
257.04431	10.6
258.05020	0.4
270.04764	0.2
271.06009	0.4
271.12985	0.3
285.03915	10.2
285.07056	0.5
286.04709	19.1
287.05490	56.4
288.05823	1.2
299.06177	0.8
312.08578	0.4
316.02887	0.3
339.08588	1.0
357.09677	100.0
358.09912	2.6
409.21594	0.2
414.10080	0.9
441.30469	0.2
459.31076	0.4
482.55716	0.3
498.62799	0.3
519.14929	20.0
520.15222	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1136
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03949	0.1
55.01856	0.2
55.05502	0.2
67.01852	0.2
67.05520	0.2
68.99788	0.2
69.03421	0.6
71.04995	0.1
72.08156	0.2
77.85122	0.1
79.05499	0.3
81.03413	0.5
81.07050	0.4
85.02886	0.5
87.00819	0.1
91.05476	0.8
93.07030	0.3
95.08588	0.3
97.02876	0.2
97.06532	0.1
99.04436	0.2
105.03383	0.3
105.07024	0.2
107.04966	0.2
107.08596	0.3
109.02859	0.2
109.10126	0.2
117.06974	0.2
119.04935	1.5
119.08559	0.2
121.02863	0.6
121.10140	0.3
123.11694	0.2
125.05959	0.1
127.03937	0.2
133.02849	0.4
133.10164	0.2
135.04393	0.1
137.05986	0.3
143.95976	0.1
145.02800	0.6
145.04927	0.1
151.03831	0.2
153.01825	4.0
159.08064	0.1
162.05536	0.6
162.09142	0.2
163.03889	0.5
163.05827	0.4
171.02876	0.4
175.07603	0.1
197.56657	0.1
207.06491	0.1
211.07645	0.2
211.11182	0.2
211.53656	0.1
213.09148	0.2
225.05435	0.3
225.12749	0.1
229.04987	0.2
243.06450	0.3
247.06010	0.2
253.12192	1.0
271.05997	100.0
272.06317	2.5
306.18713	0.1
357.20703	0.3
384.27609	0.1
397.16495	0.1
419.05618	0.2
433.11099	1.1
458.90097	0.1
501.10001	0.3
519.11316	2.2
519.19080	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
56.05028	1.7
56.28127	0.5
58.06606	1.8
58.27874	0.5
60.06128	0.5
60.08168	17.0
65.03917	0.5
67.05503	2.6
69.07056	1.1
70.48292	1.5
71.07381	6.4
72.65721	0.5
75.81570	0.4
79.05486	1.9
81.07072	2.3
84.54384	0.5
86.09711	51.7
87.10033	0.8
91.05479	0.8
93.07046	1.8
95.08628	1.5
98.98486	4.7
104.10748	100.0
105.07031	0.7
107.08604	1.1
109.10115	0.7
121.10168	0.8
125.00012	30.3
163.01634	0.9
173.13416	0.5
184.07350	99.7
185.07639	1.1
250.41992	0.5
335.25461	0.8
500.31387	8.1
518.32458	23.9
519.33081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.0
57.03435	1.5
60.08156	7.2
67.05502	16.1
69.07050	3.8
70.76712	3.6
71.07362	4.5
76.02202	1.3
78.50826	1.4
79.05483	10.9
80.95674	1.4
81.07053	18.8
83.08614	2.3
84.26286	1.2
86.09224	2.4
86.09702	33.4
88.59765	1.3
91.05452	6.9
93.07047	12.7
95.04990	1.5
95.08610	17.1
97.06513	2.0
98.98458	2.5
100.54681	1.3
104.10739	3.5
105.07022	5.4
107.08562	9.3
109.10156	13.0
117.06996	2.2
119.08582	4.7
121.10144	10.4
123.11675	4.2
125.00005	20.7
131.08495	3.4
133.10097	4.5
135.11737	8.6
145.10080	4.9
147.11703	2.9
149.13245	5.4
159.11703	4.3
161.13303	1.4
163.14851	2.4
173.13268	4.8
184.07338	100.0
187.14751	2.4
225.44583	1.5
229.19531	9.5
247.20592	21.0
264.00241	1.6
265.21823	1.4
321.24237	5.9
339.25278	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	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11450	0.1
55.05484	0.2
55.28344	0.1
56.05031	0.4
58.06639	0.6
58.69456	0.1
59.07402	0.2
59.23380	0.1
60.08165	6.5
61.84269	0.1
63.84887	0.1
67.05511	0.6
69.07053	0.1
69.21435	0.5
69.21857	0.8
71.07376	3.1
77.81493	0.1
78.97745	0.1
79.05490	0.4
81.07053	0.5
86.09706	32.1
91.05485	0.2
93.07018	0.2
95.08608	0.5
97.79463	0.2
98.98464	3.9
103.10677	0.1
104.10745	3.0
107.08566	0.2
109.10167	0.2
125.00004	23.7
126.00403	0.1
184.07343	100.0
185.07701	0.7
258.10977	0.2
321.03613	0.2
335.25803	0.2
404.91693	0.1
487.50723	0.2
500.31299	0.9
518.32416	1.5
519.32910	0.2
531.16449	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	518.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.4
66.21256	2.0
67.05513	11.6
69.04992	2.2
70.93441	7.4
79.05491	3.4
81.07051	5.7
83.04995	2.6
89.42155	2.5
91.05421	5.8
93.07026	3.7
95.08607	3.1
105.07007	2.3
109.10125	3.6
113.78381	2.5
117.07066	2.4
119.08570	3.8
120.04524	2.7
121.00206	2.3
130.06499	6.4
132.04486	2.6
133.04265	2.3
134.16306	2.5
158.05972	23.6
163.03870	2.9
172.11191	5.5
182.09615	7.4
184.07498	2.7
190.12378	3.1
200.10710	100.0
201.11093	5.4
226.12242	5.7
229.22963	2.6
258.07617	4.7
265.07248	9.7
266.15308	3.5
272.09259	4.8
288.08350	3.9
299.06104	4.0
370.13370	3.9
404.98773	2.4
425.22174	8.0
465.25586	3.9
518.17126	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	517.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	15.0
57.07065	6.8
59.24457	2.8
67.05499	22.5
69.03411	4.6
69.07052	10.2
70.06569	2.8
71.52821	4.2
71.53181	3.6
79.05492	23.4
81.03392	9.6
81.07058	20.2
83.04968	8.3
83.08613	9.6
91.05479	25.3
93.07038	23.2
95.01333	60.7
95.04967	26.4
95.08613	17.6
97.06477	4.4
97.10157	9.3
103.05456	4.0
105.03394	3.6
105.06320	3.3
105.07029	51.8
107.04942	3.3
107.08601	30.1
109.06551	16.0
109.10159	17.3
111.08081	27.9
115.05444	3.8
117.07015	9.4
119.08592	44.6
121.02868	4.3
121.06450	9.5
121.10142	17.3
123.08070	9.5
123.11685	5.5
128.06232	3.7
129.06924	6.4
131.04878	4.3
131.08546	15.7
133.06496	26.3
133.10143	24.2
135.07979	4.2
135.11690	10.5
137.09618	6.7
141.06941	3.8
142.07788	4.3
143.08560	9.4
145.06482	8.0
145.10080	20.4
147.04352	3.3
147.08041	5.5
147.11685	22.4
149.06015	4.0
149.13249	6.7
151.11157	12.0
155.08501	8.3
156.09283	4.6
157.10210	14.5
158.06053	6.3
159.08070	9.6
159.11662	11.9
161.05977	82.3
161.09586	4.4
161.13274	14.0
163.07578	3.8
163.14833	8.7
169.08766	3.6
169.10126	7.3
171.08023	3.9
171.11674	9.6
173.09669	6.2
173.13235	13.1
175.07559	11.4
175.11246	4.6
177.05489	4.1
181.08618	5.2
181.10168	3.9
183.08101	4.2
183.11658	5.1
185.09650	4.0
185.13202	3.8
187.07500	8.9
187.11195	8.1
189.05452	5.9
189.09070	4.1
191.03406	9.0
197.09610	4.6
197.13208	3.6
199.07626	3.4
199.11081	3.9
199.14613	3.3
200.10744	16.8
201.09099	11.1
201.10950	4.4
205.04951	10.2
211.11230	5.0
211.14777	3.2
213.09099	4.4
213.12769	4.3
215.10654	7.0
227.10635	8.1
229.12274	5.3
245.08044	3.2
249.12663	3.2
257.15427	3.3
267.14081	3.6
271.17105	6.2
289.18048	4.6
293.15332	4.0
309.18445	9.4
325.21585	13.4
335.20065	7.6
337.17749	4.2
351.19006	3.6
353.21115	100.0
369.20569	8.8
383.21738	4.4
393.20291	4.3
395.22220	18.8
397.20047	10.0
411.21411	3.9
413.23157	7.3
421.19879	3.4
457.22229	59.5
499.18561	6.2
517.17517	3.4
517.24164	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	517.1707
Annotation	Epimedoside C
Peak:m/z	Relative Intensity
55.01861	0.3
57.36257	0.3
65.15051	0.2
67.05469	0.7
67.85059	0.2
68.99765	0.4
69.03407	0.7
69.07050	0.2
69.26176	2.1
70.06574	0.3
77.03959	0.2
79.01860	1.7
81.03420	0.6
81.07027	0.7
85.02878	0.8
85.06534	0.3
87.64060	0.2
91.05450	0.8
93.07034	0.3
95.04960	0.3
95.08574	0.4
97.02872	0.3
105.03354	0.7
105.07023	0.5
109.02861	0.4
109.06465	0.2
110.82406	0.2
119.04917	0.7
119.08572	0.3
121.02874	3.5
121.10147	0.4
125.09571	0.2
127.03917	0.6
137.02269	0.3
137.05945	0.3
145.02855	0.7
145.10135	0.3
147.04463	0.3
147.11656	0.3
148.82204	0.2
157.06442	0.4
162.09109	0.3
163.03967	0.4
173.05966	0.2
183.02834	0.3
183.34738	0.3
201.05423	1.6
207.06517	0.4
213.05441	3.0
255.06554	0.7
256.07275	0.5
259.05984	1.0
267.92154	0.2
271.05875	0.3
283.06012	50.4
284.06644	4.0
293.07849	0.4
295.05997	0.4
297.07516	3.8
305.08044	0.3
307.06049	0.7
319.09662	3.0
321.07574	1.6
322.08340	2.1
335.09070	0.5
336.06329	0.4
337.10675	11.5
338.11032	0.4
355.11749	100.0
356.12103	2.8
446.51190	0.3
517.17047	21.3
518.17303	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.5
67.05518	8.4
68.43212	3.5
69.07056	8.1
69.40831	30.8
79.05486	9.4
81.07063	75.0
91.05466	10.0
93.07051	62.4
95.08614	8.9
105.07037	9.7
107.08588	8.3
108.99200	3.4
119.08569	14.0
135.11723	9.1
137.13226	11.3
155.08636	3.8
159.04488	5.6
161.13289	22.9
175.03897	4.7
185.09673	9.8
187.03865	4.1
189.09148	10.1
189.12827	4.2
197.05960	4.3
197.09689	8.2
199.03853	6.3
199.07594	4.6
201.05452	5.1
201.09119	4.2
211.07440	6.1
212.08179	4.2
213.09062	10.4
215.06999	6.7
223.07603	5.5
225.09129	19.3
227.10515	7.2
229.08710	8.1
229.12221	6.2
241.08592	13.4
241.12180	6.0
242.08395	3.9
249.12791	4.4
252.11523	4.2
253.08691	25.4
253.12169	8.4
255.13808	15.4
261.11252	15.2
267.13678	7.1
269.15372	17.5
273.14835	41.1
280.11078	6.7
287.16470	11.4
295.13315	41.6
297.14877	4.1
313.14355	96.9
313.17996	6.2
327.12396	5.6
327.15964	77.3
345.16956	22.7
361.89789	4.3
365.20831	4.3
373.22604	4.3
377.24814	5.2
378.31750	3.9
386.77533	4.0
398.54593	5.9
403.26248	6.5
421.27264	44.6
449.26813	27.6
463.28445	100.0
464.28674	7.5
466.70154	3.8
481.29364	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	516.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.1
59.05038	4.5
60.04522	5.5
67.05474	12.5
68.62478	4.5
69.03421	18.2
69.07085	6.1
69.75521	19.6
69.75931	11.0
70.06584	41.6
72.08138	21.3
79.05488	6.4
81.03405	14.0
81.07050	11.7
82.06561	7.6
84.04498	12.7
84.08136	48.0
85.02920	33.2
86.06064	7.7
86.09715	35.7
91.05488	25.0
93.07035	16.8
95.04968	7.2
95.08640	6.6
97.02905	10.6
97.06560	5.5
98.21487	8.6
105.01868	5.0
105.07009	17.8
106.06502	7.0
107.04945	11.6
107.08602	8.3
109.02863	16.2
109.06490	9.4
109.10153	10.4
110.06025	12.6
116.07110	5.6
119.04944	26.2
119.08572	16.5
120.08096	7.0
121.02880	4.5
121.10127	14.0
123.08065	7.6
123.11695	14.3
124.07619	6.8
127.03902	18.7
128.07071	22.0
130.08630	12.2
131.06960	8.7
131.08572	6.5
131.40225	4.3
133.10139	9.6
145.04956	8.7
145.10106	13.0
147.04459	27.1
147.11693	29.2
148.09642	17.5
148.11224	4.7
149.09624	7.5
152.36298	4.0
161.09529	5.4
164.10678	5.6
171.11633	7.1
175.03882	37.0
178.05020	6.3
189.12720	36.8
200.07127	9.5
206.04462	9.8
207.06523	100.0
207.13771	41.4
208.16800	5.9
210.20496	4.6
218.08058	7.2
220.09473	7.5
225.14868	10.4
232.16922	8.4
234.07574	10.1
250.17993	43.5
251.16385	5.0
369.11844	7.1
414.80136	5.5
516.19843	7.0
516.31732	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	516.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68640	2.1
53.03936	2.2
55.05505	6.4
57.03431	2.6
61.02914	2.6
61.63958	1.6
69.03432	9.7
69.07079	3.3
70.06591	21.4
70.12888	7.6
71.05006	2.4
72.08148	7.8
74.06073	2.3
81.03408	6.9
82.06581	2.0
83.04980	100.0
84.04507	2.0
84.08137	7.6
85.02898	16.2
86.09692	14.0
87.00858	1.8
91.05479	3.1
95.04983	3.1
97.02892	6.5
99.04431	3.6
102.05547	1.9
102.50513	1.9
105.03390	2.2
109.02872	4.6
110.07172	2.1
112.07585	1.9
116.07099	3.1
118.06563	3.6
119.04928	2.4
120.08079	2.2
127.03888	9.3
128.07082	5.3
130.06519	3.5
131.07394	2.5
144.08109	3.7
145.04955	3.5
146.06012	48.6
146.07112	3.3
147.04419	5.7
148.07578	2.5
157.08879	2.6
160.07567	2.4
170.09688	2.8
172.11201	59.0
174.05508	2.4
175.03908	4.0
177.05312	2.2
182.09648	4.2
184.11209	5.4
186.12675	2.3
188.10733	2.0
190.12245	2.9
198.09137	8.3
200.10699	56.2
201.05441	1.9
207.06514	9.5
210.09161	4.0
212.10878	2.8
214.12321	2.5
216.10159	5.1
218.11757	56.0
222.09271	2.9
224.14302	4.5
226.16011	2.6
228.10187	4.4
236.12796	48.9
236.15057	3.4
242.11713	2.5
242.15372	2.4
246.11188	2.0
249.06361	1.9
254.15451	11.7
262.93185	1.6
264.12396	5.9
268.09634	6.6
270.14874	8.4
272.16299	2.1
282.14871	13.1
288.15939	4.9
300.16083	12.6
306.16959	5.2
318.16998	46.4
336.18039	27.4
354.19107	83.3
374.10989	3.2
516.24799	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	516.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99883	2.0
55.05504	6.8
59.07973	2.1
61.02916	3.3
63.72343	1.9
69.03427	17.3
70.06591	31.3
70.54289	7.5
71.04978	4.5
72.08135	6.5
75.79243	2.3
79.05533	2.1
81.03401	7.8
83.04982	94.7
84.08133	3.6
85.02533	2.0
85.02910	25.5
85.09572	2.1
86.09712	6.4
91.05485	3.7
97.02897	13.0
99.04414	3.6
109.02898	2.9
112.07574	2.3
116.07117	3.8
118.06561	6.2
119.04972	2.6
119.08482	2.4
126.05482	2.9
126.24989	2.4
127.03905	8.0
128.07053	3.9
129.10214	2.4
130.06485	5.0
131.07310	3.6
141.09026	2.4
143.07355	3.1
143.08607	2.4
144.08113	5.5
145.05077	4.7
146.06004	56.4
157.08850	5.9
158.06062	11.1
159.06783	8.0
160.07581	6.1
162.05476	6.1
167.07301	3.2
168.08099	3.0
170.05943	3.4
170.09648	8.7
171.08025	2.6
172.07605	7.7
172.11203	61.8
182.09660	10.4
183.06805	11.4
184.07512	4.6
184.11189	6.4
186.09122	4.5
186.12752	6.1
188.07074	10.5
188.10703	7.0
190.12259	2.6
196.07468	3.9
196.11220	5.0
197.08318	9.1
197.11893	2.8
198.09152	27.1
199.09949	2.7
200.10707	68.9
204.10170	2.4
207.06554	10.2
209.08495	2.7
210.09198	16.9
211.09933	5.7
212.10626	12.9
212.14091	2.3
214.12224	7.9
216.10204	41.0
218.11774	56.3
222.09151	12.5
224.10768	4.2
224.14375	2.9
226.15927	7.4
228.10194	36.3
229.15527	11.9
230.11742	20.7
234.11162	3.9
236.12727	48.6
236.14697	4.7
242.11829	13.6
246.11287	21.2
248.12811	12.1
252.13985	2.8
254.15405	28.4
260.12723	6.2
264.12033	31.4
270.14877	8.9
272.16718	3.6
278.14056	4.6
282.14886	49.0
288.15866	3.7
300.15930	60.5
318.17004	94.6
336.18048	55.3
354.19104	100.0
498.23816	4.8
506.98560	2.2
516.27631	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	516.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01891	1.3
55.05504	5.4
57.03416	2.1
59.04999	1.4
60.04538	6.8
61.02919	2.5
66.43127	1.2
67.05502	1.9
69.03421	9.5
69.07036	1.3
70.06595	14.7
71.04982	2.1
71.53365	1.9
72.08151	14.0
74.06075	2.3
79.05479	1.4
81.03414	4.7
81.07059	1.2
82.06567	2.3
83.04980	81.8
84.08138	7.9
85.02903	17.0
85.13730	1.1
86.06050	1.7
86.09708	12.6
91.05480	3.0
93.07043	1.7
95.04948	2.8
95.08599	1.3
97.02894	6.8
105.07014	1.5
107.04952	2.2
109.02862	4.0
110.07105	1.5
112.07609	1.8
116.03620	1.3
118.06541	1.6
119.04950	3.7
120.08082	2.5
121.73108	1.2
122.73766	1.5
124.40835	1.2
127.03925	5.8
128.07071	5.7
129.10265	2.5
130.06529	3.5
130.08611	1.4
131.07256	2.7
136.07556	1.4
144.08067	3.2
145.05045	2.4
146.06006	37.3
147.04460	2.2
148.07571	1.9
151.03938	1.4
154.04984	3.6
157.08870	4.0
158.06017	9.9
159.06804	4.8
160.07559	3.4
162.05472	3.7
166.68777	1.4
168.08017	1.8
170.05992	2.8
170.09674	4.5
171.06604	1.4
171.14919	1.7
172.07527	3.6
172.11205	47.8
175.03909	2.8
176.07112	2.2
177.05502	2.1
182.09541	6.3
183.06795	4.9
184.07680	1.6
184.11266	4.8
185.08182	2.2
185.12930	1.5
186.09171	1.3
186.12762	4.4
188.07060	4.7
188.10703	2.9
190.12303	2.3
194.09651	2.1
196.11342	1.5
197.08365	3.6
198.09100	10.7
199.09962	1.6
199.14470	2.2
200.10701	48.2
202.08630	1.9
207.06548	8.2
208.09500	1.4
210.09134	8.2
211.09903	1.9
212.10648	7.7
212.14206	1.3
214.12289	7.2
216.10184	17.4
217.11024	1.2
218.11760	42.0
221.12134	1.2
222.09201	6.3
222.11070	1.5
224.10704	3.1
224.14346	4.3
226.15858	3.9
228.10188	17.1
230.11803	9.0
234.11099	1.5
234.13347	2.0
236.12750	27.1
236.14723	2.3
240.13882	1.5
242.11726	9.5
242.15425	3.0
246.11256	11.3
248.12828	5.0
249.11530	1.8
254.15372	19.2
260.12845	2.2
264.11932	14.7
270.14932	6.8
270.17664	1.3
272.16440	1.8
274.13177	1.3
278.14127	1.6
282.11942	2.3
282.14896	29.6
288.15964	2.1
300.15927	30.3
306.17007	1.2
318.14017	1.2
318.16989	38.0
336.18054	48.7
336.22189	3.0
337.18250	1.5
354.19110	100.0
355.19278	2.6
395.09351	1.2
480.21988	2.1
491.84473	1.3
494.65036	1.4
498.23328	3.7
516.25024	7.3
516.31439	1.8
531.93231	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.6
55.01873	6.6
55.62769	2.7
57.07075	6.2
60.04508	4.5
66.96685	2.8
67.05487	4.9
69.03418	11.4
69.07065	8.0
69.50748	20.2
70.02947	8.6
70.06595	24.1
71.04987	3.2
72.04520	23.0
72.08168	4.5
73.02913	10.3
81.03416	23.4
83.04963	6.4
84.04531	3.5
84.08136	6.1
85.02901	15.8
85.06539	10.2
86.09688	8.5
87.04446	2.7
90.05563	30.1
91.03903	3.1
95.04957	10.5
95.39510	2.5
96.91415	2.5
97.02894	15.0
98.02419	16.5
98.97642	3.1
99.04454	9.5
100.03978	7.8
103.07581	3.4
109.02895	30.7
112.07615	5.7
113.06004	4.4
116.03467	22.0
116.07097	3.9
124.07603	26.0
127.03900	13.5
128.07005	2.6
130.08607	3.3
132.06566	7.9
136.06149	3.3
138.05499	3.3
140.07074	5.6
142.08618	19.9
145.04942	7.6
147.04437	4.8
160.09651	8.3
166.08636	5.4
172.09706	4.2
174.11269	5.2
184.09692	31.9
198.07599	3.3
199.06006	5.4
202.10747	100.0
207.06564	7.0
211.09570	6.3
216.08601	6.3
217.07181	3.5
220.11818	27.7
230.10265	11.5
234.09731	11.2
237.02855	4.2
262.12802	16.6
280.65991	2.4
293.46786	3.2
310.12872	8.7
311.85312	3.3
328.13882	72.7
346.14996	14.2
364.16064	38.2
540.28888	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	516.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
54.29022	1.8
55.01877	3.2
56.99403	1.6
57.03438	1.8
61.02913	1.8
61.58619	1.7
67.05495	5.3
69.03428	8.4
69.07067	6.8
70.06593	7.2
70.65390	3.7
70.65794	3.8
71.04967	2.2
72.08136	2.9
73.02917	1.5
79.05488	5.8
81.03420	10.0
81.07043	3.5
83.04971	2.2
83.08637	1.9
84.04484	2.4
84.08178	2.6
85.02905	15.5
85.06548	2.0
86.09736	3.6
87.00832	7.0
87.04427	1.8
91.05482	5.6
93.07054	6.0
95.04982	3.3
95.08595	3.4
97.02903	10.0
97.06521	2.6
99.04448	6.4
103.48176	1.5
105.01870	5.2
105.03403	3.8
105.07031	4.2
107.04955	4.4
107.08610	5.1
109.02855	9.6
109.06571	2.7
110.07130	2.8
117.07069	2.1
119.04928	3.6
119.08574	3.6
121.02866	2.2
121.06538	2.8
121.10127	2.3
123.08105	1.6
123.11681	2.0
127.03917	13.3
127.07572	2.1
129.07004	1.6
133.02832	13.7
133.06509	3.8
133.10144	1.9
135.04413	4.7
135.11707	1.9
137.05989	2.8
137.09526	1.9
145.04970	7.4
145.06473	5.9
147.04407	7.1
147.08052	4.4
147.11722	2.3
151.03914	36.7
159.02951	3.4
159.08066	2.5
165.05516	3.4
167.06999	2.2
173.09593	4.2
175.04015	4.2
176.07141	2.0
177.05466	3.5
178.05022	3.3
179.42764	1.7
187.11211	1.7
189.12721	3.6
191.07019	7.3
206.04510	5.3
207.06538	6.8
207.13776	2.9
215.10667	10.0
225.14870	6.9
231.04916	1.9
233.11720	100.0
234.12050	3.7
247.05905	1.9
251.12814	30.7
283.06033	7.6
324.74094	1.9
337.10718	3.4
339.30157	1.8
354.10385	5.2
355.11710	21.4
455.19339	2.6
473.20615	3.0
481.16907	3.5
516.24060	3.4
517.18976	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	516.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75264	1.8
53.03938	3.1
53.47446	1.7
55.01854	5.9
55.05502	4.6
57.03432	2.4
60.04505	2.6
61.86772	2.0
65.03908	1.8
66.27235	1.7
67.05496	12.7
69.03434	11.8
69.07058	6.2
70.06584	14.3
70.27654	1.7
71.05010	2.9
71.53162	3.0
72.08159	4.7
79.05489	6.6
81.03417	6.7
81.07059	9.0
82.03722	2.4
83.04974	4.2
84.04504	2.4
84.08133	6.0
85.02902	18.0
85.06543	19.7
86.06052	11.6
86.09709	2.0
87.04476	17.2
91.05490	14.2
93.07043	6.8
95.04961	4.8
95.08598	11.3
96.08118	3.3
97.02886	4.6
98.09689	5.5
99.04458	3.1
105.01886	2.6
105.03391	36.1
105.07011	6.9
106.03733	10.7
107.04945	5.4
107.08585	7.0
108.08136	3.0
109.02865	5.4
109.06531	5.8
109.10158	4.9
116.10746	25.9
117.06993	2.4
119.04930	8.7
119.08577	8.5
120.08091	3.5
121.02875	2.4
121.06523	4.7
121.10122	4.9
124.07615	3.4
127.03918	7.9
128.40190	2.1
131.04892	3.3
131.08557	8.3
133.02861	2.6
134.03812	1.9
134.05997	2.1
135.04428	3.8
137.05975	5.8
137.09599	5.7
142.08661	5.6
143.08546	3.2
145.10133	4.2
147.03276	2.5
147.04414	37.6
147.08006	3.1
147.11736	3.0
147.29626	2.0
149.05977	4.5
149.09622	2.7
159.07925	2.6
161.09698	2.5
162.05518	3.0
162.09138	34.4
163.03914	45.0
163.09467	20.1
173.05971	2.1
173.09680	3.5
175.03876	12.4
176.06979	2.5
177.01848	3.1
177.05499	8.2
189.05450	3.2
191.03389	49.2
191.07042	2.8
192.04147	6.0
193.04971	65.5
201.05437	3.9
203.03439	2.9
204.04211	2.2
205.04970	20.3
207.06490	5.3
215.14253	2.4
217.05002	28.2
217.08485	20.6
218.00201	1.8
218.02130	10.4
218.05565	7.3
219.03113	2.3
219.06158	1.8
221.04497	7.0
229.08607	4.2
231.10242	4.6
231.14969	5.3
232.15231	3.2
233.04453	91.3
233.15398	4.4
234.05130	2.6
235.05995	100.0
251.05440	18.8
254.21130	2.2
259.09656	84.2
263.05469	36.2
266.99734	1.9
271.05911	3.3
277.10696	29.1
280.19016	3.6
283.09796	4.0
298.20047	5.4
301.10699	42.7
311.08047	2.1
314.02927	2.1
316.21246	5.9
319.11676	19.1
336.09406	2.1
340.21304	2.8
348.84601	2.3
354.10034	10.3
355.11606	5.6
358.22357	14.0
392.15356	2.0
402.21170	24.8
430.15613	3.6
498.29324	3.0
516.14874	3.0
516.24036	4.0
516.31567	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.5
67.05428	1.6
69.03416	6.6
69.64802	5.5
69.65209	4.0
70.06570	5.0
72.08165	2.6
75.11025	1.7
79.05462	1.7
79.87070	1.4
81.03396	7.2
81.07046	1.7
84.04484	6.4
84.08147	3.6
85.02895	7.0
86.09699	3.5
91.05487	16.4
93.07030	2.2
95.04963	3.3
96.04525	1.9
97.02917	3.4
105.03409	8.3
105.07053	2.3
107.08593	1.6
109.02850	4.9
117.07024	2.0
119.04944	23.7
119.08575	3.4
123.04456	2.1
127.03897	4.3
128.07048	2.9
145.06453	3.2
147.04419	22.6
147.06758	3.7
147.07990	1.7
149.06010	2.4
162.05507	3.5
162.09090	5.1
163.07593	2.4
167.07030	11.1
173.05931	2.5
175.03915	36.8
175.07570	2.8
176.04607	4.3
176.10732	2.8
180.06494	2.1
184.07408	3.9
190.08661	1.7
191.07057	3.4
194.05760	8.4
205.08624	4.8
207.06534	100.0
208.06531	2.0
209.08064	6.2
210.05894	1.7
215.07111	1.7
219.06477	1.7
222.11162	5.0
232.09660	5.4
233.08047	3.9
250.07043	3.7
250.08276	1.4
250.10785	16.5
250.18152	2.5
268.11707	3.6
268.19131	5.0
271.05966	3.2
314.66000	1.7
337.18970	1.7
351.10751	5.6
369.11990	7.7
371.62695	1.6
383.34641	1.7
394.14676	1.9
412.16052	10.8
430.16956	9.3
516.19879	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	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78315	4.5
53.03965	6.2
55.01892	4.7
55.05518	22.7
57.03438	13.7
61.02922	6.8
67.05511	87.3
69.03426	19.4
69.07071	23.8
71.04995	5.1
71.59578	5.4
79.05068	6.7
79.05498	65.7
81.03423	20.0
81.07063	100.0
83.04973	7.5
83.08601	12.7
85.02911	14.3
85.06546	7.3
91.05483	51.9
93.07061	75.5
95.01339	18.0
95.04976	23.2
95.08616	73.1
97.02896	8.2
97.06557	9.7
97.10160	5.9
99.08100	10.7
105.07042	47.5
107.04980	8.3
107.08624	50.8
109.06536	13.8
109.10159	36.0
111.38850	4.8
113.03958	5.0
117.07023	22.1
119.08604	44.9
121.06519	10.8
121.10157	39.9
123.08144	7.7
123.11706	18.2
128.06294	5.9
129.07028	13.4
131.08566	28.3
131.77141	5.2
133.06488	10.2
133.10117	27.9
133.47333	5.5
135.08102	7.6
135.11714	34.1
137.09592	6.5
139.11252	6.4
143.08582	14.0
144.32289	4.8
145.06532	8.3
145.10110	31.0
147.08072	9.0
147.11734	27.9
149.13268	18.6
155.08577	8.7
157.10124	14.0
159.08112	6.6
159.11728	27.3
161.05978	28.2
161.09685	5.3
161.13284	17.4
163.14864	9.1
169.10190	13.0
171.11755	16.2
173.13263	20.2
175.11244	9.7
175.14873	9.5
177.12706	8.9
179.14284	5.5
183.11696	11.4
185.13176	8.0
187.14801	13.5
189.12840	8.3
193.12198	5.9
197.13313	11.0
207.11824	7.2
227.10535	5.0
243.21088	17.5
248.54266	6.0
261.22104	64.1
279.23288	5.8
301.21744	11.2
303.23267	8.3
335.25797	7.8
345.24384	9.6
351.15817	6.3
353.26923	19.2
358.16553	7.5
363.25659	6.7
369.24283	8.6
387.25479	6.3
405.26318	6.5
419.27750	6.2
443.28195	7.9
497.30899	14.8
515.23126	13.4
515.30713	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.2
55.05505	20.9
57.03425	10.3
57.07074	7.0
61.02927	8.3
65.03931	5.6
67.05502	68.9
69.03408	11.9
69.07072	21.9
71.04977	6.0
73.02895	5.5
74.91242	3.6
79.05496	47.5
81.03410	8.5
81.06590	6.4
81.07055	100.0
82.07352	3.8
83.04969	9.8
83.08624	12.4
85.02874	12.9
85.06533	5.0
91.05475	32.7
93.07039	51.2
95.01330	7.8
95.04955	14.4
95.08607	65.1
97.02879	8.4
97.06542	5.5
99.08080	7.0
105.07046	25.1
107.08569	33.9
109.06499	10.4
109.10153	31.7
113.00010	4.1
117.07012	12.7
119.08579	26.4
121.06549	6.8
121.10110	28.9
123.08060	6.5
123.11692	13.1
125.09602	5.5
129.06972	6.8
131.08551	23.0
133.06512	7.0
133.10121	24.2
135.08023	6.7
135.11691	25.5
137.09689	5.4
143.08559	13.0
145.06456	5.1
145.10143	16.7
147.08128	4.3
147.11662	15.5
148.79771	3.6
149.09590	4.6
149.13251	10.6
151.11142	3.5
157.10138	7.1
159.11734	20.9
161.05968	10.6
161.13248	9.1
163.14825	6.5
171.11674	7.7
173.13249	14.2
175.11311	4.4
177.12700	4.0
177.16318	3.8
185.09599	4.7
187.14798	5.1
195.11646	4.7
200.10701	7.4
235.17035	4.1
243.21135	17.1
261.22119	41.5
284.09326	4.5
285.22220	5.4
301.21634	7.3
303.23260	7.0
312.14899	3.8
335.25803	10.9
345.24149	4.8
353.17181	3.7
353.26941	16.9
369.24216	8.2
377.26773	3.6
387.24997	3.9
405.25955	5.3
411.21820	3.8
419.27853	12.6
443.28107	3.8
455.21674	3.5
459.98724	4.0
461.28867	6.3
497.30908	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	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56047	2.9
53.03950	5.6
55.05510	23.8
57.03426	10.2
57.07058	6.1
60.50623	3.0
67.05507	93.2
69.03419	11.3
69.07059	22.4
70.33517	3.1
70.73186	10.0
71.04962	7.4
76.44415	3.1
79.05069	5.4
79.05491	69.4
81.03405	8.7
81.06595	6.2
81.07055	100.0
83.04999	4.8
83.08607	7.8
85.02898	8.4
85.06530	5.4
91.03960	4.8
91.05483	38.3
93.07042	76.1
95.01333	5.4
95.04949	12.5
95.08607	71.7
97.02890	4.4
97.06499	4.7
97.10181	5.9
99.08096	6.5
99.83367	3.2
105.04478	3.4
105.06393	4.2
105.07034	39.6
107.08585	35.1
109.06499	7.1
109.10159	34.2
110.35329	3.2
112.00977	3.2
117.07014	14.3
119.05042	3.4
119.08589	31.6
121.06480	3.3
121.10136	43.9
123.07159	3.0
123.08063	4.5
123.11677	17.8
129.06967	3.4
131.08560	32.8
133.06483	4.0
133.10141	21.0
135.11682	36.4
137.09578	3.7
137.13226	7.6
139.11179	3.1
141.07007	3.2
143.08551	7.2
145.10135	23.9
147.11673	15.5
149.09581	5.2
149.13275	24.1
155.08546	5.4
157.10141	6.2
159.08017	3.6
159.11685	22.5
161.05983	7.7
161.13290	17.2
163.14833	10.1
168.41798	3.1
169.10091	5.1
171.07976	6.2
171.11749	3.4
173.13275	22.0
175.14828	7.4
177.16333	5.2
185.13220	4.5
187.14781	9.9
201.16362	4.3
233.22609	4.5
243.14082	3.1
243.21072	29.9
261.22137	74.9
279.23376	4.6
289.79892	2.9
290.81073	3.1
303.23157	4.5
335.25833	10.0
336.03503	3.8
345.24173	4.5
351.15826	3.8
353.26941	15.3
461.28806	3.7
497.31039	7.0
515.23187	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01873	4.2
55.05514	19.1
55.53403	2.5
57.03421	9.0
57.07061	6.5
59.05010	2.3
60.25671	2.3
61.02905	8.4
65.03915	4.3
67.05505	77.4
67.17436	2.6
69.03413	9.9
69.07071	20.5
69.53638	13.6
69.54045	5.2
71.04972	6.6
73.02922	3.2
79.05490	58.7
81.03407	7.1
81.07055	100.0
83.04972	3.3
83.08608	11.8
85.02911	11.7
85.06501	4.2
91.05482	34.9
93.06488	4.9
93.07043	65.4
93.73697	2.8
95.04961	11.1
95.08605	74.9
97.02880	8.2
97.06503	6.8
97.10165	5.1
98.21542	2.3
99.08079	6.7
105.07048	23.7
107.04940	4.1
107.08588	41.6
109.02843	4.0
109.06489	6.9
109.10153	42.6
111.08075	3.3
113.09703	2.9
117.07014	10.8
119.08571	20.4
121.10143	41.4
123.08071	3.8
123.11727	19.4
125.09677	3.5
127.03886	4.0
129.07004	3.5
131.08598	19.6
133.10124	19.5
135.08063	5.7
135.11693	29.1
137.09546	2.6
137.13261	7.3
139.11124	3.2
143.08566	4.2
145.05043	2.5
145.10132	17.2
147.08032	2.9
147.11662	15.7
149.09663	3.7
149.13248	22.3
151.07608	3.9
151.11209	4.5
159.11690	15.9
161.13243	9.7
163.14821	13.9
166.53712	2.8
171.11685	4.6
171.40443	2.7
173.13213	17.9
175.14746	4.0
177.12724	2.7
177.16391	4.1
182.76881	2.6
185.82309	3.0
187.14809	9.3
187.87958	2.7
199.14832	3.5
200.10709	3.5
209.13206	3.0
243.21089	21.6
261.22147	82.6
279.23227	4.0
289.21597	2.7
301.21622	2.8
303.23187	5.0
335.25800	31.2
345.24185	4.0
353.26779	10.6
369.23865	5.1
377.26749	2.6
387.25354	4.4
419.27725	6.8
422.82761	2.3
440.25357	2.7
443.27966	3.2
461.29196	3.6
479.30023	3.6
497.30847	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.301
Annotation	fijianolide A
Peak:m/z	Relative Intensity
51.02369	0.6
52.73103	0.2
53.03948	1.9
55.01855	0.3
55.05502	0.2
55.64589	0.2
67.05501	0.4
69.03416	0.8
69.07022	0.3
70.06592	1.2
71.04967	0.2
72.08156	1.1
74.93017	0.2
77.03943	0.9
78.56448	0.2
79.01846	0.2
81.03401	0.7
81.07032	0.4
83.04967	0.3
84.08145	2.8
85.02888	1.1
85.06533	0.3
87.00803	0.4
91.05469	1.3
93.07024	0.3
95.04954	3.3
95.08607	0.3
96.08138	0.3
97.02881	0.5
97.06518	0.2
105.03385	100.0
106.03687	1.2
107.08559	0.3
109.02872	0.8
110.09678	0.4
110.31928	0.2
112.11240	4.5
118.06520	0.4
119.04936	0.5
119.08590	0.3
121.02875	1.1
121.06521	0.3
123.04468	0.3
123.07999	0.2
127.03928	1.0
133.10068	0.3
134.05991	6.4
137.09578	0.3
145.02846	0.3
145.04929	0.2
145.06567	0.3
145.10193	0.2
147.04436	0.5
161.09596	0.3
161.10741	6.9
162.09129	94.2
163.03944	0.2
163.09485	1.5
163.10883	0.4
167.07077	0.3
176.10713	2.9
207.06479	0.4
213.05527	0.5
215.15379	0.3
216.13887	0.4
230.65703	0.2
233.16473	10.6
242.05807	0.3
249.18547	0.3
267.19559	0.4
270.05273	0.5
271.05930	1.3
283.06003	10.2
284.06635	1.7
293.08212	0.3
295.06003	3.9
296.06107	0.3
297.07581	0.3
307.06207	0.3
307.09564	0.4
311.09152	0.3
320.59543	0.2
322.08109	0.2
325.10681	7.1
326.11050	0.7
328.87387	0.3
335.09094	1.2
337.10785	0.3
337.18958	1.6
353.10165	34.2
354.10492	3.5
354.21719	1.0
400.01816	0.2
497.29166	0.4
498.27307	0.4
515.15881	6.8
515.30151	72.7
516.15558	0.9
516.23468	0.4
516.30505	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	515.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.8
53.03935	13.3
55.01874	15.6
55.05507	5.1
57.03435	12.3
57.07061	2.2
61.02920	7.3
65.03945	3.2
67.05506	17.4
68.99780	5.3
69.03432	51.7
69.07082	10.2
70.06607	2.8
71.01335	1.7
71.04992	15.5
71.51874	1.9
71.52269	2.1
73.02916	10.3
77.13259	1.5
79.05495	15.8
81.03419	52.7
81.07059	19.5
83.04975	9.5
84.04488	2.5
84.08156	3.0
85.02908	100.0
85.06536	6.2
87.00830	29.5
88.88769	1.6
91.03954	2.5
91.05478	20.2
93.07050	18.9
95.04980	9.1
95.08604	13.1
97.02884	32.5
97.06536	10.8
99.04455	17.7
99.08044	2.3
101.06052	2.5
101.10732	1.6
105.01877	26.4
105.03381	21.2
105.07030	14.0
107.04951	4.3
107.08592	12.8
109.02881	46.7
109.06520	5.2
109.10152	8.0
111.04447	2.7
111.08103	4.4
113.05981	2.6
115.07571	6.2
117.01852	6.0
117.07031	5.0
119.04948	4.1
119.08586	16.8
121.02882	4.6
121.06474	5.1
121.10115	8.2
123.08080	3.5
123.11700	2.9
124.83040	1.7
125.09636	5.5
127.03921	72.0
128.06180	2.0
129.01822	5.8
129.07053	5.5
129.09099	2.1
131.08603	10.2
133.02802	1.8
133.06453	2.3
133.10112	13.8
135.08031	6.1
135.11707	7.1
137.05981	2.4
137.09610	18.4
139.11201	3.0
143.08536	4.5
145.04971	23.0
145.10114	11.3
147.02922	3.7
147.04433	3.8
147.08029	4.2
147.11716	10.1
149.09644	3.9
149.13222	2.0
149.21887	1.8
151.11208	6.1
151.29420	1.8
153.09122	2.2
155.08565	2.5
157.10162	5.6
159.02888	20.6
159.11723	3.9
161.06065	2.2
161.09642	5.3
161.13239	2.9
162.09161	11.9
163.11211	5.5
171.11610	8.7
173.13387	1.9
175.03938	3.8
175.11206	3.6
177.04063	1.9
177.05511	3.2
177.12741	2.7
178.04982	2.1
179.10606	1.8
181.05023	3.8
181.08684	2.0
181.12195	2.1
185.13255	3.9
189.03986	3.8
189.12746	4.2
195.11830	2.6
199.14864	2.2
201.16176	1.9
203.17883	3.7
206.04562	4.0
207.06561	8.0
213.03879	3.3
213.16353	11.2
231.04916	11.3
231.13879	2.0
231.17386	9.9
249.18472	13.7
249.38861	1.6
255.13885	2.8
265.18015	5.0
267.19559	74.8
268.19846	3.0
283.06207	2.6
291.19525	2.3
294.43738	1.7
295.05884	2.2
335.09064	4.2
337.07187	3.1
353.10199	65.8
353.14526	3.3
354.10245	4.0
471.21616	3.9
515.14862	5.8
515.20953	11.0
515.31525	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	515.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70803	1.3
51.02379	1.6
53.03935	7.5
54.60868	1.2
55.01871	11.6
55.05518	6.8
57.03440	9.3
61.02921	6.9
67.05505	12.1
68.99788	4.0
69.03428	45.0
69.07064	11.2
70.01250	2.7
70.01672	3.4
70.06586	1.3
71.04996	11.6
72.14463	1.2
73.02910	5.9
75.02991	1.3
75.73877	1.1
77.40280	1.2
78.08120	1.1
79.05502	18.6
81.03418	35.5
81.07050	13.5
83.04980	4.9
83.08607	2.5
85.02907	100.0
85.06536	3.8
85.41800	1.4
87.00834	26.6
87.04482	1.5
91.03952	2.4
91.05486	20.6
93.07056	16.3
95.04957	6.9
95.08590	11.3
96.72282	1.5
97.02895	22.4
97.06529	9.9
99.04460	15.2
99.08082	2.8
101.06020	3.6
103.05447	2.4
105.01879	21.3
105.03378	5.8
105.07046	11.2
107.04957	2.4
107.08584	8.9
109.02136	2.5
109.02876	34.6
109.06491	5.0
109.10149	5.2
111.08078	4.2
113.06002	1.6
115.03901	1.7
115.07549	6.7
117.01820	3.3
117.07025	6.0
119.05020	1.9
119.08590	14.7
121.06496	2.6
121.10154	7.1
123.08076	2.6
123.11767	1.9
125.09619	4.6
125.23252	1.2
127.02971	2.9
127.03921	61.5
129.01839	4.8
129.07007	5.0
130.07649	1.3
131.08583	8.8
133.06477	2.8
133.10149	10.1
135.08049	3.7
135.11687	5.6
137.05989	1.8
137.09619	18.0
139.07556	1.5
143.08571	5.4
145.04965	18.3
145.10172	9.3
147.02904	3.7
147.08034	1.7
147.11638	4.9
149.09612	4.1
149.13242	2.2
151.11191	5.4
155.08525	1.7
157.10141	5.2
159.02885	13.4
159.11693	4.8
161.09587	1.9
161.13191	2.6
162.09187	5.9
163.11157	2.4
165.12726	2.5
171.11714	6.6
173.13284	3.6
175.11191	2.6
175.14748	2.0
185.13264	3.1
187.14885	2.3
189.03923	3.3
189.12791	2.7
189.16336	1.9
201.16393	2.2
213.03896	2.8
213.16428	10.7
231.04941	10.9
231.17551	9.6
249.18480	14.9
265.18124	3.5
267.19562	61.0
279.19781	1.7
283.05701	1.8
291.19623	2.1
295.05908	6.8
297.03955	2.5
353.10205	38.3
354.10364	1.7
510.95712	1.3
515.15302	6.2
515.23663	2.8
515.30591	3.3
515.36505	1.9
537.68365	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2277
Annotation	3,7,4'-Trihydroxy-3'-(8''-acetoxy-7''-methyloctyl)-5,6-dimethoxyflavone
Peak:m/z	Relative Intensity
53.03956	7.8
55.01844	9.3
55.05505	9.3
56.58475	7.6
59.04988	10.1
65.03952	8.9
67.05500	22.6
69.03427	13.9
69.07062	15.4
69.72089	41.0
73.01195	6.3
73.39738	6.6
79.05489	34.2
81.03402	16.8
81.07047	29.3
85.02921	11.8
91.05473	33.6
93.07050	22.3
95.01340	100.0
95.04977	48.9
95.08587	22.1
97.02854	8.6
97.06576	7.7
103.05496	7.8
105.07025	61.6
107.04960	11.0
107.08605	15.5
109.06522	8.6
117.07018	15.1
119.08571	25.3
121.06494	12.7
121.10190	14.3
123.04469	7.7
128.06258	22.1
129.07014	28.4
131.04851	7.0
131.08574	17.1
133.06508	23.6
133.10164	13.2
135.08034	10.8
141.07002	15.8
143.08557	25.4
145.06493	18.4
145.10129	24.5
147.04427	9.2
147.08057	10.7
147.11693	14.4
149.05986	9.3
155.08536	13.4
156.09378	10.7
157.10228	17.7
161.06000	75.5
169.10114	9.2
171.08043	20.4
171.11681	12.6
173.09631	10.6
175.07524	17.7
179.08601	8.2
183.11749	16.2
185.09618	13.3
186.09312	8.5
187.07605	13.8
189.09061	12.4
189.12825	9.3
193.10158	8.4
195.11804	10.4
201.05397	7.9
209.13213	7.6
211.11307	8.3
245.06427	10.2
266.08011	8.8
273.06308	9.5
284.09134	13.2
297.60858	7.5
340.15482	11.8
351.15390	9.5
353.10165	72.4
354.10413	9.6
370.60944	6.7
391.19067	7.2
400.31158	7.5
419.18222	8.2
437.19730	37.2
455.20728	16.6
515.13629	43.3
515.24097	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	515.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61122	0.3
53.02903	0.3
53.03944	2.1
55.01875	2.8
55.05513	1.5
57.03436	2.5
57.07058	0.3
59.04974	0.3
61.02928	3.0
65.03918	0.4
67.05181	0.3
67.05508	4.1
68.99793	1.7
69.03429	13.3
69.07068	2.5
70.66303	0.9
71.01352	0.6
71.04993	4.6
73.02920	1.8
79.01846	1.0
79.05067	0.5
79.05490	5.3
80.92476	0.3
81.03421	9.7
81.06596	0.3
81.07050	4.0
83.04985	1.5
83.08605	0.6
84.08118	0.5
85.02905	27.0
85.06531	0.7
86.09660	0.4
87.00832	6.4
87.04463	1.1
91.03910	0.3
91.05483	5.5
93.07050	4.3
95.04967	1.7
95.08608	2.8
97.02311	0.5
97.02892	7.6
97.06538	2.4
98.53825	0.3
98.79586	0.3
99.03863	0.4
99.04456	3.8
99.08076	0.6
101.02391	0.5
101.05996	0.6
103.03922	0.4
103.05456	0.4
105.01195	0.4
105.01867	6.2
105.03392	5.8
105.07027	3.5
107.04948	1.4
107.08581	2.1
109.02880	8.4
109.06512	1.0
109.10155	1.3
111.04416	0.4
111.08064	1.1
112.11235	0.4
115.03931	0.6
115.07540	1.5
117.01817	0.4
117.07000	1.3
119.04965	2.9
119.08594	3.3
121.02870	4.4
121.06480	1.3
121.10139	1.9
123.08042	0.5
123.11696	0.3
125.06031	0.3
125.09622	1.0
127.03919	14.7
127.07547	0.3
128.06210	0.3
129.01830	1.2
129.05461	0.5
129.06992	1.0
129.09100	0.6
131.04936	1.8
131.08548	3.0
133.06523	0.5
133.10100	2.6
134.05980	0.4
135.07982	0.7
135.11673	1.4
136.07518	0.4
137.09610	3.7
139.11147	0.4
141.01790	0.3
142.07716	0.4
143.08522	1.4
145.02870	1.6
145.04964	4.2
145.06259	0.5
145.06462	0.7
145.10126	3.2
147.02910	0.4
147.04399	1.3
147.08047	0.7
147.11681	1.6
149.05933	0.4
149.09590	0.9
149.13242	0.6
151.11198	1.4
153.06975	0.3
153.09097	0.3
157.10139	1.5
159.02893	3.4
159.11655	1.2
160.65384	0.3
161.05983	0.4
161.09596	1.2
161.10760	0.3
161.13216	0.8
162.09146	5.3
162.54668	0.2
163.03877	0.4
163.07544	0.4
163.11177	1.1
164.70435	0.3
165.01819	1.4
169.10098	0.5
171.02846	0.3
171.11668	1.5
173.13260	0.9
175.03918	1.5
175.11174	0.8
175.14813	0.2
179.10632	0.3
183.02870	1.1
183.11609	0.5
185.13191	0.7
187.14790	0.7
189.03941	0.7
189.05478	1.5
189.12776	0.7
189.16348	0.5
193.04965	0.5
193.12143	0.3
203.17981	0.7
207.06537	3.7
207.13791	0.3
211.14880	0.4
213.03720	0.6
213.04385	0.3
213.05566	1.9
213.16356	2.8
217.04941	2.0
231.05032	2.6
231.17430	2.1
233.16499	0.6
241.04922	0.3
242.05679	0.5
249.10199	0.3
249.18507	3.7
255.06477	0.5
259.05948	0.4
265.17981	1.0
267.19562	15.9
270.05307	1.6
271.06027	4.1
276.08743	0.6
277.09540	0.6
283.06009	36.4
284.06570	3.2
291.19492	0.5
292.07230	1.8
293.08072	4.6
295.05994	11.9
296.06378	0.4
297.04022	0.6
297.07410	0.4
307.06192	0.3
307.09607	6.0
308.10278	0.4
309.07642	0.7
311.09177	1.2
319.10541	0.6
319.81702	0.3
320.06863	0.5
321.07779	0.8
322.08313	0.5
325.10715	19.4
326.11017	1.4
335.09137	13.4
336.09525	0.9
337.10669	2.0
353.10184	100.0
354.10474	5.9
356.82187	0.3
357.20541	0.5
365.11261	0.5
368.14041	0.4
375.22009	0.3
377.10089	0.5
395.11276	0.9
396.13721	0.5
461.12503	0.5
471.26639	0.3
479.12769	0.4
497.14417	0.7
498.16092	0.5
515.15454	17.1
515.30737	3.0
516.17407	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	515.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91722	3.7
58.45898	3.3
59.04991	7.8
67.05504	10.1
67.96099	3.4
69.03439	6.5
69.07076	5.0
69.37241	19.8
69.37669	14.8
79.05492	13.5
81.03426	10.5
81.07080	9.6
90.24175	4.6
91.05470	13.4
93.07050	9.4
95.01337	59.5
95.04981	25.5
103.05513	5.2
105.07040	61.1
107.08573	8.0
109.06528	5.1
109.10143	4.2
117.07008	6.9
119.08577	15.5
121.06534	6.4
127.36938	3.9
128.06210	6.5
129.07025	7.3
131.08539	19.2
133.06500	32.1
133.10072	4.3
141.07018	4.9
142.07813	5.3
143.08560	21.5
145.06528	6.2
145.10141	13.5
147.08020	6.7
147.11636	6.3
155.08574	11.3
157.06485	4.5
157.10120	12.6
159.08083	6.6
159.11729	5.0
161.05992	100.0
161.13274	5.8
167.08549	5.9
169.10149	22.3
171.08064	12.2
171.11682	14.1
175.07545	12.1
179.08548	5.2
181.10118	7.2
183.11714	8.7
185.09607	7.5
185.13208	11.8
189.05316	4.3
189.12799	3.8
192.09364	5.6
193.10078	5.4
195.11772	5.0
197.09665	7.1
197.13258	7.3
201.05461	4.7
201.12782	5.1
205.04979	7.4
206.10800	3.9
209.09621	8.5
209.13297	7.0
211.11201	6.7
213.12753	7.9
218.71924	4.5
219.11765	4.1
221.13269	5.3
227.10710	6.3
233.09497	5.4
235.11115	7.0
237.12723	5.5
245.13107	4.8
249.12625	5.0
255.14099	4.0
265.12305	6.5
275.14163	3.9
277.08856	4.1
277.12241	4.5
293.11697	10.0
305.15408	5.3
307.16882	5.4
309.14890	4.0
309.18344	4.6
315.13730	6.5
319.17084	5.9
331.16757	5.3
333.14844	15.6
333.18469	7.2
335.16434	16.2
337.14264	5.9
351.15839	6.1
351.19806	4.1
353.17441	33.0
359.12677	5.2
361.14145	21.2
367.23032	4.5
373.17917	3.8
375.19873	10.2
377.17709	8.1
379.15424	14.1
393.20563	24.5
395.18573	33.6
397.16559	7.3
409.20157	4.5
411.21735	7.5
419.18582	5.7
437.19391	7.7
455.20953	21.1
515.22815	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	515.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.6
53.03933	2.1
55.01863	2.0
55.05499	2.1
57.03433	2.8
57.31145	0.5
61.02925	3.2
65.03928	1.3
67.05505	2.9
69.03432	16.4
69.07057	2.1
69.94114	2.4
71.01340	0.7
71.04987	4.6
72.08127	0.6
73.02905	2.2
77.03946	0.5
79.05500	3.0
81.03423	7.8
81.07063	2.9
83.01379	0.6
83.04623	0.4
83.04995	4.1
84.04462	0.4
84.08148	1.0
85.02907	25.4
85.06523	0.7
85.21410	0.4
87.00824	2.2
87.04450	1.3
89.03930	0.6
91.03967	0.9
91.04910	0.9
91.05483	18.3
92.38220	0.5
93.07041	3.6
95.04988	2.9
95.08610	1.9
97.02896	10.0
97.06519	1.1
99.04441	3.5
99.08123	0.7
101.06028	0.5
105.01871	3.0
105.03391	18.0
105.07025	2.6
107.04944	1.4
107.08589	2.1
109.02891	4.9
109.06494	0.6
109.10159	0.9
111.04451	7.4
113.09763	0.5
115.05421	0.6
115.07603	0.5
117.07014	1.0
119.04945	23.2
119.05797	1.1
119.08574	2.1
121.02879	3.3
121.06477	1.2
121.10141	1.5
123.04443	0.6
123.08045	0.8
125.09595	1.2
127.03918	10.3
129.01860	0.7
129.05492	1.1
129.06931	0.7
131.04915	1.3
131.08563	1.4
132.02032	1.3
133.06474	0.6
133.10126	2.2
134.05977	1.4
135.04419	0.8
135.08055	0.7
135.11731	1.0
137.06061	0.6
137.09598	1.9
143.08575	0.9
145.02856	2.6
145.04948	3.3
145.06462	0.5
145.10138	1.6
147.03221	1.0
147.04417	19.1
147.11662	1.6
149.02351	0.5
149.05965	0.6
149.09621	0.9
151.03915	0.5
157.03960	1.8
157.10124	1.0
159.02876	1.1
159.08069	0.7
161.05998	1.2
161.09558	0.7
161.10765	0.9
162.09142	14.9
163.11169	1.0
164.04715	0.6
167.07101	1.4
173.13281	0.9
175.03915	38.3
176.04433	0.7
179.07030	2.0
189.03929	0.8
189.05443	3.6
189.12776	0.6
191.14421	0.6
207.06532	100.0
208.06915	0.6
213.05612	0.8
213.16405	0.6
217.04973	1.4
231.04947	1.1
231.13799	1.0
231.17499	0.9
233.16489	2.0
249.18486	1.8
250.29475	0.5
265.08755	0.5
267.19571	6.6
271.06030	0.6
279.10138	1.2
283.05960	5.1
284.06650	0.8
291.19492	0.7
292.07309	3.5
293.08072	1.0
295.06100	3.0
299.05579	0.6
307.09631	12.2
311.09103	0.8
325.10690	3.2
335.09146	28.1
353.09991	22.6
354.10565	0.6
515.17084	4.3
515.30499	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	515.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01860	1.6
55.05494	1.5
57.03422	1.8
61.02927	2.4
65.88220	0.5
67.05506	2.4
68.99800	1.1
69.03432	9.2
69.07055	1.6
70.06592	1.0
71.01366	0.5
71.04974	1.6
71.52950	0.6
73.02905	1.9
77.03902	0.4
79.01865	0.9
79.05504	2.4
81.03419	6.4
81.07050	2.7
83.04970	1.0
84.08141	1.2
85.02907	14.6
85.06524	0.5
87.00800	2.4
87.04459	1.5
91.03941	0.6
91.05479	3.7
93.07037	2.3
95.04961	2.1
95.08591	1.8
97.02912	5.5
97.06517	1.3
99.04462	2.7
105.01868	2.1
105.03396	28.3
105.07029	2.0
107.04951	1.3
107.08572	1.9
109.02888	4.9
109.06512	0.9
109.10147	1.1
111.04423	0.8
112.11243	1.0
117.06950	0.6
119.04947	2.4
119.08587	2.5
121.02871	5.3
121.06496	1.1
121.10148	1.8
123.08070	0.8
123.11687	0.5
125.05983	0.7
125.09698	0.6
127.03915	6.4
129.07002	0.6
131.04890	0.6
131.08537	0.7
133.06474	0.7
133.10124	1.6
134.06017	1.9
135.04376	0.8
135.11694	1.0
136.37212	0.5
137.09619	1.0
145.02864	1.4
145.04984	2.8
145.06461	0.9
145.10167	1.1
147.04411	1.6
147.11676	1.1
149.09645	0.6
151.07567	0.7
151.11179	0.7
159.03009	0.8
159.11668	0.6
161.06038	0.6
161.10747	1.1
162.09145	25.7
163.03926	1.5
163.11217	1.1
165.01860	1.1
167.07016	0.7
171.11754	0.7
173.05972	0.7
176.10753	0.8
177.01913	1.2
181.01369	0.9
183.02843	0.7
183.11580	0.6
189.09076	0.6
191.03462	0.6
191.07051	1.0
207.06546	2.1
213.05466	1.9
213.16354	0.6
217.04953	1.0
219.06564	2.4
231.05031	0.7
231.17545	0.9
233.16496	3.1
249.18448	1.2
255.06577	1.0
256.07230	1.6
267.06503	1.7
267.19534	3.5
270.05252	1.5
271.06052	4.5
281.08469	0.6
283.06012	30.0
284.06766	7.2
292.07556	0.8
293.08154	1.2
294.05200	0.8
295.06030	17.4
295.09390	1.0
296.06500	0.7
297.03955	2.6
297.07162	0.6
299.05496	10.6
307.06271	0.8
307.09607	1.3
308.06870	1.6
309.07486	1.7
309.11002	1.1
311.05954	0.7
311.09036	3.0
315.04993	1.3
321.07465	1.2
322.08469	1.6
325.10709	21.4
335.09058	5.6
337.10687	24.1
353.10196	100.0
354.10464	3.4
355.11679	1.1
472.62952	0.5
497.14908	0.7
515.15466	32.2
515.30292	21.0
516.15973	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01862	3.0
55.05506	1.6
57.03422	3.1
61.02917	5.1
65.03943	1.0
67.05499	1.8
68.99775	0.8
69.03426	23.9
69.07079	1.0
69.47564	1.4
69.47969	4.8
70.06590	2.0
71.04993	3.2
72.55286	0.9
73.02913	3.1
79.05486	2.4
81.03420	10.3
81.07052	3.4
83.04960	1.0
84.08105	0.9
85.02905	32.5
85.06520	1.3
85.09499	0.7
86.09711	1.2
87.00838	1.6
87.04462	3.6
91.03929	1.6
91.05480	3.1
93.07031	2.0
95.01240	1.0
95.04961	1.6
95.08614	2.4
97.02892	13.7
97.06563	1.4
98.20838	2.1
99.04453	4.3
105.03397	1.6
105.07022	1.7
107.04942	1.4
107.08575	2.4
109.02869	7.0
109.06496	1.8
109.10149	1.6
111.04436	0.9
117.06994	1.2
119.04954	3.7
119.08575	2.4
121.02862	8.1
121.06514	1.4
121.10159	1.7
125.09659	1.0
127.03917	11.2
131.08539	1.1
133.06459	1.2
133.10115	1.0
135.07983	1.6
135.11671	1.0
137.06055	0.9
137.09712	0.8
145.02838	1.7
145.04945	4.7
147.04399	1.6
147.11621	0.9
149.02322	1.5
156.65555	0.9
163.03896	1.4
165.01877	1.2
167.03378	1.5
167.07001	1.3
171.11691	1.1
173.05919	1.0
175.03839	1.4
177.01801	2.1
177.05446	1.8
188.63046	0.9
189.12737	1.1
191.03462	1.2
191.07054	2.8
207.06540	2.6
219.06555	3.6
249.18498	1.8
255.06465	3.5
256.07257	3.7
267.06512	5.1
267.19370	1.4
271.05975	1.1
283.06018	19.2
284.06793	12.9
294.05234	2.2
295.06091	19.0
295.09515	3.7
296.06403	1.0
297.04019	1.8
299.05496	15.8
307.05957	1.8
308.06775	4.5
309.07477	3.1
309.11212	2.3
311.09119	6.4
315.05026	1.9
321.07666	1.7
322.08334	2.5
325.10757	10.8
335.09280	2.7
337.10681	83.7
338.11130	1.9
353.10187	100.0
354.10605	2.3
355.11795	3.9
515.15430	30.7
515.23462	1.8
516.15558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01862	3.0
55.05506	1.6
57.03422	3.1
61.02917	5.1
65.03943	1.0
67.05499	1.8
68.99775	0.8
69.03426	23.9
69.07079	1.0
69.47564	1.4
69.47969	4.8
70.06590	2.0
71.04993	3.2
72.55286	0.9
73.02913	3.1
79.05486	2.4
81.03420	10.3
81.07052	3.4
83.04960	1.0
84.08105	0.9
85.02905	32.5
85.06520	1.3
85.09499	0.7
86.09711	1.2
87.00838	1.6
87.04462	3.6
91.03929	1.6
91.05480	3.1
93.07031	2.0
95.01240	1.0
95.04961	1.6
95.08614	2.4
97.02892	13.7
97.06563	1.4
98.20838	2.1
99.04453	4.3
105.03397	1.6
105.07022	1.7
107.04942	1.4
107.08575	2.4
109.02869	7.0
109.06496	1.8
109.10149	1.6
111.04436	0.9
117.06994	1.2
119.04954	3.7
119.08575	2.4
121.02862	8.1
121.06514	1.4
121.10159	1.7
125.09659	1.0
127.03917	11.2
131.08539	1.1
133.06459	1.2
133.10115	1.0
135.07983	1.6
135.11671	1.0
137.06055	0.9
137.09712	0.8
145.02838	1.7
145.04945	4.7
147.04399	1.6
147.11621	0.9
149.02322	1.5
156.65555	0.9
163.03896	1.4
165.01877	1.2
167.03378	1.5
167.07001	1.3
171.11691	1.1
173.05919	1.0
175.03839	1.4
177.01801	2.1
177.05446	1.8
188.63046	0.9
189.12737	1.1
191.03462	1.2
191.07054	2.8
207.06540	2.6
219.06555	3.6
249.18498	1.8
255.06465	3.5
256.07257	3.7
267.06512	5.1
267.19370	1.4
271.05975	1.1
283.06018	19.2
284.06793	12.9
294.05234	2.2
295.06091	19.0
295.09515	3.7
296.06403	1.0
297.04019	1.8
299.05496	15.8
307.05957	1.8
308.06775	4.5
309.07477	3.1
309.11212	2.3
311.09119	6.4
315.05026	1.9
321.07666	1.7
322.08334	2.5
325.10757	10.8
335.09280	2.7
337.10681	83.7
338.11130	1.9
353.10187	100.0
354.10605	2.3
355.11795	3.9
515.15430	30.7
515.23462	1.8
516.15558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47311	0.2
53.03909	0.8
55.01836	0.8
55.05477	0.8
57.03438	1.5
61.02929	1.4
67.05457	0.9
68.99778	0.5
69.03431	5.7
69.07064	1.6
71.01317	0.3
71.05002	1.9
73.02883	0.7
79.01820	0.7
79.05498	1.8
81.03419	3.7
81.07077	1.1
83.04955	0.9
83.08569	0.3
85.02909	10.9
87.00844	1.7
87.04443	0.6
89.21129	0.2
91.03965	0.2
91.05469	1.6
93.07063	1.3
95.04945	0.6
95.08584	0.6
97.02883	3.0
97.06474	0.7
99.04485	1.3
103.05467	0.4
105.01817	1.1
105.03401	3.2
105.06977	1.1
107.04922	0.9
107.08566	0.8
109.02874	2.5
109.06516	0.4
109.10078	0.4
109.40520	0.3
111.08054	0.4
111.49270	0.3
115.03872	0.2
115.07526	0.3
117.06956	0.6
119.04943	1.9
119.08542	0.8
121.02864	4.1
121.06483	0.5
121.10118	0.7
125.09606	0.3
127.02985	0.3
127.03911	4.6
129.01845	0.4
129.06934	0.4
131.04929	1.8
131.08562	0.7
133.06506	0.3
133.10124	0.4
135.07988	0.3
135.11674	0.3
136.60368	0.3
137.09573	0.7
140.72845	0.2
142.66489	0.3
145.02840	0.6
145.04970	1.6
145.10069	0.7
147.04364	0.8
147.11673	0.5
149.09558	0.2
151.11143	0.4
153.01817	0.3
157.06409	0.3
157.10086	0.4
159.02859	0.9
159.11673	0.4
161.09575	0.3
162.09158	2.3
163.03940	0.5
163.11206	0.2
165.01822	1.2
171.11668	0.6
175.03941	1.2
175.11189	0.4
181.01357	0.4
183.02834	1.1
187.11133	0.2
187.14792	0.3
189.05417	1.1
189.08910	0.3
189.12802	0.2
193.04915	0.4
193.76929	0.2
207.06573	2.2
213.05534	1.3
213.16338	0.6
217.05011	1.4
231.04976	0.8
231.17429	0.5
241.04953	0.3
242.05812	0.5
249.18460	0.9
255.06558	0.7
256.07294	0.4
259.06104	0.4
267.06601	0.3
267.19547	4.0
270.05283	1.2
271.05997	3.7
283.06009	34.1
284.06656	2.6
291.19370	0.3
292.07364	1.0
293.08102	3.5
295.05997	9.9
297.04037	0.9
297.07278	0.4
299.05493	0.4
305.07684	0.3
307.09589	3.6
311.05737	0.5
311.09164	1.3
320.06833	0.4
321.07498	0.6
322.08411	0.4
323.09116	0.3
325.10706	16.2
326.11020	0.8
335.09131	9.8
336.09634	0.3
337.10626	2.1
353.10190	100.0
354.10492	3.3
377.10349	0.7
395.11374	1.0
461.12561	0.4
497.14017	0.4
515.15527	8.3
515.23352	0.4
515.30811	1.6
516.16089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01868	1.7
55.05515	2.2
56.04241	0.4
57.03423	1.9
61.02911	1.5
67.05511	2.6
68.99783	1.1
69.03429	8.9
69.07062	2.0
70.04883	2.4
70.06582	1.5
71.04984	2.1
72.08135	0.6
73.02903	1.6
79.01855	0.7
79.05490	4.6
81.03429	6.6
81.07062	3.4
83.04972	1.4
84.08177	0.5
85.02908	15.3
85.06532	0.7
87.00814	4.8
87.04481	1.2
91.03952	0.7
91.05486	4.6
93.07046	3.1
95.04958	1.5
95.08604	1.8
97.02896	5.2
97.06526	1.7
99.04464	2.9
99.08121	0.8
105.01890	2.2
105.03394	10.1
105.07005	2.5
107.04980	1.7
107.08611	2.3
108.25549	0.4
109.02879	4.2
109.06498	0.9
109.10146	1.5
112.11234	0.5
115.07563	1.0
117.07005	1.3
119.04969	2.3
119.08590	2.6
120.08092	0.5
120.25252	0.5
121.02888	3.7
121.06542	0.8
121.10129	1.4
125.09644	1.3
127.03931	8.7
129.01860	0.9
129.06987	1.1
131.04997	1.1
131.08556	1.5
132.51740	0.4
133.06499	0.7
133.10143	2.1
134.06017	0.8
135.08081	0.7
135.11737	0.7
137.09627	2.2
143.08578	0.7
145.02892	0.6
145.04941	2.6
145.06514	0.5
145.10161	2.0
147.04404	1.4
147.08040	0.6
147.11713	1.0
149.06021	0.6
149.09608	1.0
156.70877	0.5
157.10139	0.9
159.02902	1.1
159.11629	0.9
161.05960	0.9
161.09654	1.2
162.09157	8.7
163.03967	0.7
163.11137	0.7
165.01831	0.9
167.07184	0.9
167.10777	0.5
171.11626	1.0
173.13268	1.0
175.03833	0.8
178.88911	0.5
181.01329	0.6
185.13228	0.5
189.01822	0.5
189.05475	1.9
199.11333	0.5
202.02641	0.6
207.06511	3.1
213.05502	1.3
213.16409	1.0
217.04974	21.0
231.04985	1.2
231.17484	1.2
233.16519	1.0
235.06006	2.7
237.16110	0.6
242.05797	0.6
247.39070	0.5
249.18512	1.5
259.06281	0.6
265.18039	0.7
267.19589	8.8
270.05109	1.1
271.06006	4.0
283.06006	27.0
284.06619	2.0
291.19495	0.8
293.08142	3.9
295.06021	10.7
297.03952	1.4
299.05450	0.6
307.09708	3.1
311.09180	2.0
325.10733	15.8
326.11057	0.5
335.09143	8.4
337.10773	1.7
353.10199	100.0
354.10516	2.9
395.11304	1.1
515.15393	9.6
515.30341	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	515.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01869	2.0
55.05504	1.7
57.03432	3.7
59.04988	1.0
61.02925	8.0
67.05494	2.1
68.99799	1.1
69.03434	20.1
69.07056	1.3
70.06592	1.4
71.04990	2.3
71.52002	1.5
73.02926	2.1
79.01845	0.9
79.05494	1.7
79.22404	0.8
81.03417	10.4
81.07053	2.4
83.05009	1.4
85.02906	34.0
86.09721	0.9
87.00809	1.0
87.04479	3.5
91.03930	1.8
91.05496	1.7
93.07043	2.9
94.70682	0.8
95.04944	1.5
95.08614	2.4
96.05712	0.8
97.02895	17.5
97.03522	1.1
98.09666	0.8
99.04455	3.4
105.01887	0.8
105.03395	2.5
105.07035	2.9
107.04930	2.0
107.08591	1.7
109.02864	5.2
109.06509	1.5
109.10139	1.6
119.04939	2.7
119.08592	2.0
121.02872	7.3
121.10120	1.0
123.08076	1.1
127.03913	9.3
129.07004	1.0
133.06496	1.1
133.10075	0.8
135.04445	1.4
143.08571	1.0
145.02859	1.9
145.04947	4.5
145.06438	0.9
145.10182	1.8
147.04402	1.9
149.02361	1.4
161.09566	1.0
163.03949	2.5
165.01845	2.2
167.03448	1.5
175.03853	0.9
177.01897	1.3
177.05463	1.1
183.02904	2.0
190.02657	1.4
191.03389	1.3
191.07079	2.5
191.10550	1.1
193.04913	0.9
195.02766	0.9
201.05443	0.9
207.06520	2.5
213.05545	1.4
216.05635	0.9
217.05063	0.8
219.06505	3.6
231.04793	1.0
249.18489	1.2
255.06453	1.7
256.07458	2.6
267.06564	4.7
267.19504	1.5
271.06067	2.1
281.07870	1.0
283.06003	21.5
284.06778	14.0
285.07452	1.2
293.07935	1.0
294.05380	1.5
295.06094	20.2
295.09628	3.7
297.04034	1.5
298.04553	0.9
299.05496	14.7
307.06058	1.2
308.06958	4.2
309.07523	2.3
309.11154	1.8
311.09152	6.2
315.05029	1.3
319.09399	1.5
321.07584	1.9
322.08469	1.4
323.09091	1.0
325.10727	12.2
335.09302	1.0
337.10703	78.4
338.11017	2.3
353.10190	100.0
354.10617	3.7
355.11844	4.1
514.95160	1.1
515.15509	30.4
515.23260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68769	2.3
56.96563	54.2
56.96843	3.8
57.03419	2.2
57.12599	2.0
60.78218	1.8
69.03410	5.3
69.54020	3.2
69.54430	12.1
70.06564	5.9
73.02882	2.2
74.97558	2.4
78.30938	1.7
78.54298	1.9
81.03381	3.6
84.95615	1.8
84.96033	17.0
85.02913	11.2
87.04398	2.3
91.05444	2.6
97.02854	3.6
98.97582	100.0
100.99143	20.0
105.03361	2.2
110.97559	39.7
112.99104	7.4
116.98618	49.2
119.00117	6.9
119.01866	5.1
124.99118	4.8
126.97026	3.4
127.03883	4.0
128.97699	3.2
128.98602	50.4
131.00125	8.3
134.99655	11.4
140.00159	4.0
140.98561	9.8
143.00165	21.2
144.10172	3.4
144.98047	11.1
145.01672	5.1
145.03477	3.5
145.04865	3.3
146.99641	33.5
147.04346	6.3
149.01190	9.5
152.98534	7.8
152.99608	3.0
154.96489	3.2
155.01759	2.8
157.03349	2.3
158.99663	46.0
161.01219	26.1
161.02943	3.5
162.99165	10.7
163.02705	3.9
165.00757	12.4
170.99644	36.3
172.97594	17.0
173.01219	5.4
173.02861	3.7
177.00711	31.0
179.02185	6.2
179.57304	2.2
182.99573	13.6
183.01807	2.2
185.01138	6.8
185.02837	2.0
187.02744	4.4
188.99045	2.4
189.00714	39.4
190.98639	44.8
191.02213	3.6
191.03909	4.0
192.45338	2.1
193.03671	3.1
195.01759	3.1
197.01132	2.4
197.02922	2.2
201.00717	67.0
203.02289	10.0
203.03929	2.7
205.03812	3.2
207.01619	6.2
207.03381	2.7
207.06442	2.7
208.99690	57.0
213.00569	5.4
214.98624	16.2
219.01752	70.7
221.03259	3.4
223.04791	5.2
227.00656	9.0
231.01649	8.6
232.99658	46.2
233.03181	11.3
237.02815	53.2
238.03096	2.1
242.03432	2.7
243.01793	22.1
244.99570	2.9
245.02921	2.4
245.05011	6.3
247.04713	6.9
251.00732	27.8
251.03363	2.8
251.04295	2.6
255.03891	3.8
260.46884	2.2
261.02820	63.4
263.00690	17.0
263.03442	2.6
263.04010	2.2
273.02707	6.2
274.02209	4.9
275.00739	1.9
279.03888	46.8
281.01688	2.5
281.06992	4.3
291.03787	14.8
293.01639	15.3
293.04953	3.4
302.05142	3.1
307.06830	4.9
309.04666	2.5
317.01797	22.5
321.04919	36.6
321.08594	4.3
323.06369	3.0
333.04718	7.4
335.02652	34.9
335.06552	7.3
351.06189	11.5
353.03827	45.2
353.07593	7.4
365.07468	5.9
367.09052	14.4
368.11850	2.0
381.07083	17.7
395.04660	2.7
399.08093	23.5
455.10196	3.7
497.07654	11.6
515.08887	71.0
515.20190	3.4
516.09167	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	514.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44395	0.8
53.03929	1.0
55.01872	24.7
55.05507	4.1
57.03426	1.6
57.07063	2.4
58.86721	0.7
59.04994	5.5
61.02919	1.6
67.05482	2.7
69.03441	4.3
69.07069	3.9
70.06579	2.9
71.04993	1.0
71.41596	0.9
71.53266	1.0
73.02950	0.9
79.05489	3.7
81.03416	4.4
81.07035	2.6
83.01335	0.9
83.04963	1.4
84.04501	2.2
84.08131	0.9
85.02912	10.6
85.06543	4.5
91.03938	1.1
91.05475	3.9
93.07009	3.1
95.04929	1.5
95.08613	2.4
97.02914	4.6
97.06498	1.0
102.05530	0.7
103.05448	1.3
105.03377	2.5
105.07012	4.3
107.04949	2.2
107.08588	2.1
109.02866	2.0
109.06517	1.0
114.34563	0.7
117.07014	1.7
119.04955	2.0
119.08620	4.4
121.02847	1.3
121.06461	1.6
121.10131	1.0
123.04428	1.3
123.07973	0.8
127.03907	2.9
129.07014	1.2
131.08563	2.1
133.06500	2.3
133.10126	4.3
135.04410	16.4
137.05942	1.7
143.08568	1.0
145.04926	2.1
145.06430	0.9
145.10074	4.0
147.04417	4.1
147.08037	1.9
147.16766	0.9
149.05994	5.5
153.93759	0.8
155.08542	2.5
158.07185	0.8
159.04356	1.9
159.08031	1.6
159.11671	2.2
161.05974	7.2
161.09624	2.4
163.03906	2.4
163.07539	3.4
165.05489	1.2
171.08057	0.9
173.05960	2.1
173.09567	5.2
175.03885	1.1
175.07539	11.0
177.05441	13.0
177.09100	3.0
179.06998	2.3
181.04974	4.8
183.08017	1.9
187.11136	1.9
189.05521	6.5
189.09082	12.2
191.07071	2.6
191.10677	13.3
195.06535	1.1
201.05479	2.2
201.09091	21.1
203.07057	4.7
203.10655	3.7
205.04973	3.9
207.06445	1.1
210.14984	0.9
211.07541	0.8
213.09100	1.4
215.10713	4.5
217.08617	2.5
219.10152	93.4
220.10489	1.2
231.10150	3.9
233.04353	1.4
233.11743	8.3
243.10152	7.8
245.11618	0.9
249.11206	5.5
251.13100	1.0
261.11215	100.0
262.11481	1.7
269.15573	1.0
279.12268	90.1
280.12430	1.3
283.05905	1.7
299.16467	1.1
317.17450	26.8
318.17722	1.1
325.10709	2.5
335.09247	1.3
337.18271	1.0
353.10147	16.7
353.53162	0.9
461.22147	1.2
484.79181	0.9
498.10376	1.1
514.13019	4.8
515.15363	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	514.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49766	2.2
53.03934	8.8
55.01859	7.5
55.05507	3.7
57.03424	8.0
59.05003	2.5
61.02919	4.5
67.05492	4.8
68.99783	5.1
69.03082	2.9
69.03432	38.6
69.07071	27.3
70.06596	36.0
71.04979	8.0
71.51865	2.5
71.52238	2.0
72.08162	10.8
73.02905	6.4
79.05473	4.8
81.03420	51.5
81.07036	5.7
82.06560	2.7
82.07449	1.9
83.04982	9.9
84.04469	2.9
84.08148	16.8
85.02908	63.4
85.06517	3.6
86.09715	10.6
87.00837	19.1
87.04462	3.4
91.05463	7.9
93.07043	5.4
95.04956	6.1
95.08612	4.0
96.08092	2.1
97.02892	54.4
97.06509	2.9
98.06024	2.8
99.04462	22.1
103.03957	3.4
105.01864	21.7
105.06995	3.8
107.04957	4.1
107.08574	4.0
109.02132	4.9
109.02882	100.0
109.06520	2.2
110.77991	2.1
111.04425	7.6
114.05571	2.8
116.07158	2.6
119.04948	3.8
119.08569	3.4
120.08091	8.0
121.02795	2.5
121.10111	2.7
123.04379	3.8
125.02351	3.0
125.09567	2.2
127.03920	93.7
128.07069	7.8
129.01830	8.1
129.05486	4.3
130.06564	3.1
135.08086	2.9
136.06180	2.1
136.07550	2.3
137.05896	3.0
137.09584	2.8
139.03889	2.4
141.01810	8.5
145.04955	30.1
146.05934	3.4
147.02859	9.0
147.04401	5.6
151.03853	3.0
153.09094	3.4
158.06146	2.6
159.02904	7.1
159.08041	4.5
159.97807	2.1
163.07570	2.8
167.06998	3.2
169.13364	2.5
175.03949	4.1
177.05467	5.3
177.09087	5.4
184.07394	3.7
188.07074	2.7
193.04958	3.4
200.84467	2.2
206.08170	2.7
207.06479	8.6
208.56905	2.6
213.03960	19.4
230.11752	2.5
231.05037	28.6
235.05910	3.0
242.11824	5.8
249.06133	11.9
260.12753	4.5
266.13745	2.6
273.06143	5.7
273.14914	2.8
291.07089	5.6
316.15430	3.2
334.16504	4.6
339.07169	10.0
352.17490	6.6
357.08240	26.0
375.09222	40.0
393.10184	9.6
443.15726	2.6
501.82523	2.7
514.19336	4.2
514.30280	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	514.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49766	2.2
53.03934	8.8
55.01859	7.5
55.05507	3.7
57.03424	8.0
59.05003	2.5
61.02919	4.5
67.05492	4.8
68.99783	5.1
69.03082	2.9
69.03432	38.6
69.07071	27.3
70.06596	36.0
71.04979	8.0
71.51865	2.5
71.52238	2.0
72.08162	10.8
73.02905	6.4
79.05473	4.8
81.03420	51.5
81.07036	5.7
82.06560	2.7
82.07449	1.9
83.04982	9.9
84.04469	2.9
84.08148	16.8
85.02908	63.4
85.06517	3.6
86.09715	10.6
87.00837	19.1
87.04462	3.4
91.05463	7.9
93.07043	5.4
95.04956	6.1
95.08612	4.0
96.08092	2.1
97.02892	54.4
97.06509	2.9
98.06024	2.8
99.04462	22.1
103.03957	3.4
105.01864	21.7
105.06995	3.8
107.04957	4.1
107.08574	4.0
109.02132	4.9
109.02882	100.0
109.06520	2.2
110.77991	2.1
111.04425	7.6
114.05571	2.8
116.07158	2.6
119.04948	3.8
119.08569	3.4
120.08091	8.0
121.02795	2.5
121.10111	2.7
123.04379	3.8
125.02351	3.0
125.09567	2.2
127.03920	93.7
128.07069	7.8
129.01830	8.1
129.05486	4.3
130.06564	3.1
135.08086	2.9
136.06180	2.1
136.07550	2.3
137.05896	3.0
137.09584	2.8
139.03889	2.4
141.01810	8.5
145.04955	30.1
146.05934	3.4
147.02859	9.0
147.04401	5.6
151.03853	3.0
153.09094	3.4
158.06146	2.6
159.02904	7.1
159.08041	4.5
159.97807	2.1
163.07570	2.8
167.06998	3.2
169.13364	2.5
175.03949	4.1
177.05467	5.3
177.09087	5.4
184.07394	3.7
188.07074	2.7
193.04958	3.4
200.84467	2.2
206.08170	2.7
207.06479	8.6
208.56905	2.6
213.03960	19.4
230.11752	2.5
231.05037	28.6
235.05910	3.0
242.11824	5.8
249.06133	11.9
260.12753	4.5
266.13745	2.6
273.06143	5.7
273.14914	2.8
291.07089	5.6
316.15430	3.2
334.16504	4.6
339.07169	10.0
352.17490	6.6
357.08240	26.0
375.09222	40.0
393.10184	9.6
443.15726	2.6
501.82523	2.7
514.19336	4.2
514.30280	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	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
55.01875	5.8
55.05517	19.7
57.03432	17.7
61.02915	23.6
67.05503	44.3
69.03418	10.0
69.07057	14.2
70.06574	7.6
71.04995	4.4
71.53238	5.3
73.02931	9.7
75.25484	3.7
79.05499	40.9
81.03416	12.5
81.07051	49.8
83.04977	6.9
83.08614	8.4
85.02896	17.7
85.06571	4.2
91.03946	8.4
91.05476	45.8
92.05820	4.0
93.07045	51.0
95.04961	10.3
95.08601	38.8
97.02885	18.6
97.06519	6.3
97.10178	4.6
99.04453	5.6
99.08099	6.0
105.07026	44.9
107.08566	25.2
109.06550	5.8
109.10157	15.8
111.08101	6.5
117.07018	17.6
119.08592	42.5
121.10134	26.7
125.09608	5.2
127.03922	5.1
129.05524	7.7
129.07040	6.8
130.05257	4.2
131.08551	24.4
133.06503	6.2
133.10139	35.7
135.11736	23.7
141.07019	4.4
143.08556	13.7
145.10124	25.3
147.11699	32.8
149.13243	11.7
155.08595	5.7
157.10106	16.2
159.11705	21.7
161.13269	24.6
163.14861	5.0
169.10217	7.2
171.11659	10.1
173.13261	15.6
175.14864	10.8
183.11678	3.9
185.13324	11.6
241.19478	23.9
259.20566	50.6
275.20081	9.9
277.21280	8.6
310.70706	4.8
349.23676	7.2
351.25275	100.0
352.25842	5.8
367.22751	7.5
375.39877	4.1
403.24899	6.9
441.26071	5.7
459.27295	6.6
495.29608	11.4
513.29565	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.9
55.01873	10.8
55.05518	36.7
57.03437	30.8
57.07083	3.4
61.02937	21.1
65.03963	2.9
67.05507	100.0
69.03434	30.5
69.07070	34.1
70.06584	4.4
70.28200	8.4
71.01338	2.4
71.04990	11.8
71.08624	7.3
71.09030	2.7
73.02908	8.8
73.51093	2.2
79.05499	68.8
81.03425	29.1
81.07061	95.4
83.04986	12.0
83.08630	22.8
85.02910	28.2
85.06548	4.5
91.03964	10.8
91.04919	3.5
91.05483	51.8
93.07048	77.6
95.04982	17.2
95.08613	63.1
97.02892	34.8
97.06538	15.1
97.10186	12.7
99.04459	8.9
99.08110	10.0
101.02381	8.4
101.06027	2.7
103.03949	7.6
105.04493	3.4
105.07035	46.6
107.04958	6.9
107.08602	54.0
109.02859	11.7
109.06524	7.1
109.10163	40.7
111.08105	7.2
113.09631	3.0
115.03946	3.8
117.07002	17.0
119.08585	33.3
121.06525	3.4
121.10155	35.1
123.08115	7.2
123.11722	8.6
125.09653	4.5
127.03938	15.7
129.05482	5.8
129.07005	8.5
131.08560	17.1
133.10135	30.6
135.08052	6.9
135.11693	32.0
137.09637	5.1
139.11140	4.5
143.08577	11.4
145.05008	3.0
145.10120	13.9
146.05688	2.5
147.08009	3.6
147.11707	22.9
149.06032	3.2
149.09647	5.6
149.13260	14.7
151.11197	9.9
155.36137	2.6
157.10139	6.0
159.11713	14.6
161.13225	15.1
163.11217	6.8
163.14842	3.4
165.12828	4.2
171.08078	2.6
171.11723	9.4
173.11765	6.8
173.13297	10.7
175.14859	5.5
177.12791	3.0
179.14330	20.3
183.06464	5.4
185.13307	6.7
187.14842	4.3
189.11256	2.9
189.12750	2.6
195.13762	2.4
199.11047	2.7
199.14925	4.9
201.07646	4.9
207.13828	4.1
213.16362	4.4
227.12820	3.1
229.14340	7.9
231.21176	6.2
235.14986	2.8
240.01494	2.5
241.14371	2.5
241.19557	9.0
259.20612	31.2
277.21643	47.0
333.24313	8.3
348.30054	2.7
351.25327	51.3
379.24786	5.0
423.27667	4.2
444.45074	2.8
477.28641	2.9
513.16620	5.0
513.30414	8.7
513.50751	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	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.1
55.01869	9.8
55.05510	32.7
57.03191	3.7
57.03439	45.8
59.04999	3.7
61.02923	18.0
65.60626	2.7
67.05508	83.3
67.80138	2.5
69.03442	26.4
69.07084	20.3
69.07399	3.9
70.16930	8.9
71.01361	4.1
71.04994	22.1
71.12278	3.0
72.08131	3.3
73.02909	14.7
73.04092	2.8
74.09718	7.9
75.04486	3.1
79.05493	75.1
81.03422	36.3
81.06599	5.0
81.07062	100.0
83.04971	14.5
83.08621	16.8
84.65973	2.6
85.02902	38.9
85.06527	8.0
87.04456	4.1
91.03943	11.8
91.05476	59.0
93.06481	6.0
93.07041	89.3
95.01325	13.1
95.04977	22.3
95.08609	65.7
97.02892	35.6
97.06526	12.0
97.10149	8.3
99.04462	13.6
99.08055	7.2
101.02377	10.3
103.03941	6.8
105.07034	52.1
107.04924	5.9
107.08593	57.5
109.02862	11.8
109.06519	11.1
109.10171	30.3
110.60461	3.3
111.08075	9.1
117.07024	23.5
119.08583	47.5
121.06525	5.6
121.10143	45.4
123.08094	7.3
123.11675	5.9
125.09592	5.7
127.03917	25.0
128.06171	3.9
129.05444	12.6
129.06970	11.4
131.08583	33.7
133.10127	35.0
135.11684	29.1
137.09608	7.1
139.11214	5.0
143.08543	14.7
145.06512	3.4
145.10130	24.4
147.11687	27.6
149.09665	5.1
149.13220	22.9
151.11206	3.7
157.10138	12.7
159.11676	20.8
161.13248	14.7
163.11188	4.8
163.14833	8.5
169.10107	4.5
171.11713	13.0
173.11845	3.7
173.13269	9.8
175.14809	7.2
177.12761	4.9
183.06561	3.9
183.11670	5.3
185.13217	8.1
187.11200	3.5
187.14870	8.2
199.14899	5.7
201.16357	4.0
205.15744	5.4
229.14372	4.7
241.19556	12.4
259.20544	35.1
269.17612	4.2
275.20425	4.4
277.21664	37.7
293.21301	4.5
309.14880	3.1
333.24307	7.5
351.25314	61.4
356.55585	3.3
472.94846	3.1
478.43677	3.2
485.13995	3.4
495.29422	3.6
513.16040	3.8
513.30493	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	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.01861	5.6
55.05509	14.9
57.03433	8.5
57.07089	4.9
61.02926	15.9
66.82784	2.6
67.05511	40.8
69.03420	14.3
69.07056	10.0
70.91757	7.9
71.04997	3.0
73.02919	5.5
79.05497	38.2
81.03420	9.4
81.07057	37.5
83.04971	5.8
83.08618	6.0
85.02895	18.5
85.06554	4.9
91.03938	4.9
91.05480	29.6
93.07047	56.5
95.04958	9.7
95.08620	28.1
97.02882	13.3
97.06535	4.0
97.10146	3.3
103.05487	3.9
105.03389	12.1
105.07037	38.5
107.04993	3.2
107.08581	28.6
109.02866	3.8
109.10143	13.8
117.06998	10.9
119.08598	34.9
121.10135	29.9
127.03913	3.6
128.06223	3.1
129.07040	5.7
131.08574	15.9
133.10139	32.3
135.08044	3.6
135.11707	27.6
137.09586	4.3
141.06944	4.2
143.08562	10.9
145.10144	19.2
147.04454	3.6
147.11674	28.0
149.09581	4.8
149.13292	20.5
157.10120	11.0
159.11668	14.0
161.13242	21.8
163.14833	5.6
170.06015	4.2
171.11670	8.5
173.13260	11.5
175.14777	9.2
177.12708	7.1
185.13219	7.1
195.13762	3.5
199.14819	3.6
200.00398	3.4
200.06975	3.5
213.16479	5.3
229.19357	3.5
231.21082	5.8
241.19521	17.3
244.06035	5.3
259.20590	46.2
272.05472	6.8
277.21655	8.9
333.24139	4.6
338.19318	4.3
349.23843	5.2
351.25308	100.0
352.25497	3.7
367.22452	4.0
423.23376	4.0
459.26974	4.9
477.28760	6.2
480.09250	4.9
495.11920	13.2
495.29648	7.1
496.11960	4.5
513.13263	13.1
514.13489	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	513.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.8
55.01861	5.6
55.05493	11.0
56.41293	2.7
57.03428	10.3
61.02914	12.2
67.05506	28.4
69.03416	10.4
69.07053	11.2
70.14478	6.8
70.14868	8.7
79.05496	29.7
81.03413	6.2
81.07054	31.9
83.04960	4.2
83.08604	4.0
85.02916	13.8
89.97009	2.8
91.03947	7.2
91.05486	22.0
93.07042	37.8
95.04935	4.0
95.08605	24.0
97.02885	11.1
97.06531	3.4
97.10201	3.4
100.64549	2.6
105.07039	29.1
107.08592	31.3
109.06489	4.0
109.10161	13.8
109.18105	2.6
117.06997	7.7
119.08593	29.5
121.10165	21.1
123.07993	5.7
123.11683	3.3
127.03876	5.6
129.07016	5.3
131.08553	14.4
133.10129	19.9
135.08060	3.1
135.11717	21.5
143.08537	6.4
145.10092	17.1
147.11693	27.2
149.13249	15.6
157.10161	7.3
159.11671	12.8
161.13275	21.8
163.14824	5.4
169.10114	3.5
171.11693	7.9
173.13239	11.6
175.14830	9.8
179.14378	3.5
183.11694	4.0
185.13257	6.9
187.14732	3.9
199.14847	3.4
207.78215	3.0
241.19527	19.2
259.20599	44.2
277.21567	9.3
288.58182	2.9
333.24246	6.5
349.23859	4.4
351.21155	6.3
351.25287	100.0
351.29626	4.8
367.22537	3.7
441.26413	6.2
495.29333	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	513.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01867	4.8
55.05498	4.3
57.02742	2.5
57.03444	3.5
57.07076	4.9
59.37536	1.9
65.03931	2.7
67.05511	16.9
69.03421	4.2
69.07067	6.5
69.49107	4.2
69.49512	13.5
79.05498	15.6
81.03423	7.5
81.07076	10.9
83.04972	2.6
83.08601	3.1
84.08147	50.1
91.05486	15.5
93.07040	14.1
95.01330	69.0
95.04965	27.8
95.08628	10.1
97.02876	2.7
97.06523	3.9
103.05458	7.4
105.07034	55.2
107.08593	20.6
109.06502	2.6
109.10134	5.9
112.74287	1.9
115.05447	5.6
117.07021	9.5
119.08586	19.6
121.02850	3.0
121.06496	7.7
121.10146	9.4
123.11692	5.0
125.09624	2.6
128.06230	3.9
129.06969	10.0
129.62747	2.2
131.04913	2.8
131.08546	16.1
133.06490	33.0
133.10103	10.4
135.08043	5.9
135.11714	14.1
137.06012	4.4
137.09653	2.4
137.13304	3.6
142.07767	4.1
143.08562	9.3
145.02852	2.9
145.06477	8.1
145.10107	22.3
147.04425	3.2
147.08018	7.0
147.11687	4.3
149.06010	6.5
149.13255	3.7
153.07033	2.6
153.09079	3.2
155.08571	6.5
157.06488	2.4
157.10153	11.3
158.05989	3.7
159.08029	6.9
159.11729	11.3
161.04640	5.3
161.05988	100.0
161.09627	5.5
161.13159	4.9
162.06491	2.2
163.07599	3.7
165.07080	3.7
165.08981	3.3
167.07259	3.0
167.08601	4.5
169.10094	7.2
170.10886	2.6
171.08051	8.7
171.11610	5.1
173.09650	13.7
173.13290	6.9
175.07530	18.3
175.14877	2.7
179.08553	3.4
181.08676	2.3
181.10144	6.8
183.08089	5.1
183.11600	5.5
185.09636	9.0
187.07574	4.8
187.11255	3.4
187.14818	7.8
189.05547	2.4
189.09064	3.5
191.03333	2.7
193.10074	5.5
195.08061	2.2
197.09639	6.7
197.13283	6.1
199.11209	5.0
199.14890	2.6
200.10684	13.8
201.05528	2.6
201.09131	3.5
201.12807	2.7
201.16396	3.5
205.05003	12.1
209.09564	14.4
209.13289	2.4
211.07570	3.5
211.11151	6.2
211.14856	2.7
213.09123	3.1
213.12695	4.3
215.10693	6.8
215.14288	7.1
219.06500	5.2
221.09682	3.2
221.13332	3.3
221.15359	3.3
223.11154	4.6
223.14795	2.5
225.09052	3.9
225.12706	4.0
227.10696	7.5
229.12236	3.3
229.15823	5.6
237.09099	2.5
241.12323	3.8
243.13808	2.7
245.15517	3.0
251.10475	2.6
251.14351	3.0
252.11389	2.3
253.12250	6.5
253.15872	2.7
255.10214	6.1
255.13641	3.0
263.14258	2.8
263.63599	2.1
265.12027	2.6
267.10309	6.4
269.15356	4.2
275.10721	2.3
279.13687	3.9
281.18613	2.1
293.11340	2.4
295.16861	4.4
296.17743	3.4
297.18488	6.8
315.16220	2.8
322.31061	5.7
333.14844	4.1
341.17484	9.6
347.19910	3.1
349.22031	3.9
359.13318	2.7
359.20117	2.9
361.14111	3.0
375.19690	6.5
377.20987	8.9
384.35013	2.6
393.20554	15.0
395.22183	10.9
403.18961	7.3
411.21887	4.0
421.20062	9.0
439.21240	24.8
448.88736	2.5
456.37778	2.1
513.24664	19.7
513.40625	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	513.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01876	7.5
55.05513	3.9
57.03438	2.7
59.04997	3.1
64.08316	1.6
67.05523	3.9
69.03423	8.9
69.07066	5.1
70.06604	15.1
70.21442	2.3
70.21835	4.3
71.04977	3.4
72.08147	2.9
79.05495	3.0
81.03427	9.6
81.07054	2.8
82.06566	2.0
83.04987	2.4
84.04518	2.3
84.08140	23.9
85.02910	14.0
85.06555	4.1
85.08490	3.2
86.06079	1.8
86.09708	5.7
87.00809	2.8
91.05482	6.4
93.07050	2.7
95.04951	3.7
97.02893	7.0
99.04471	2.0
105.03371	17.7
105.07037	3.9
107.08601	1.9
109.02890	9.8
119.04954	2.7
119.08572	5.0
120.08929	2.7
123.49002	1.5
125.10731	1.5
126.09155	3.3
127.03914	12.4
128.07089	2.2
131.04898	2.3
133.10162	1.7
135.04419	9.6
136.07581	2.2
143.08554	3.3
145.04990	4.0
145.10143	2.4
147.04420	5.1
147.08052	3.8
147.11697	1.7
149.05981	1.5
159.03015	1.7
159.04413	3.2
159.08109	1.8
161.05988	2.2
162.09119	13.7
165.05544	1.5
167.07024	1.6
171.04424	1.7
171.08101	3.5
173.05991	3.6
173.09544	2.1
175.03949	2.9
175.07593	2.0
177.05470	7.5
178.08615	2.6
179.03416	1.5
185.09639	4.1
187.07544	5.8
189.05475	2.7
189.09125	18.4
201.05444	3.6
201.09106	24.2
203.10611	2.1
213.03894	2.4
213.09108	18.3
213.12746	2.0
215.10681	3.0
217.08601	4.3
219.10103	4.2
220.09904	1.6
227.10620	4.5
227.14305	5.0
231.10208	5.0
233.11713	4.7
237.12759	3.6
240.11464	4.5
243.10091	7.8
245.11885	5.0
247.09850	5.5
249.11302	3.9
255.10904	2.8
255.13800	58.4
259.09720	4.4
261.11273	8.1
269.15344	3.9
273.14880	43.5
273.17807	2.3
279.12479	2.0
297.14929	9.3
301.11938	2.0
306.15359	1.8
315.15909	100.0
316.16275	2.9
317.17496	2.6
333.16919	23.5
333.20279	2.3
351.18109	18.3
375.09503	1.8
427.20850	3.7
433.16132	3.7
451.17505	3.1
459.20218	2.9
477.21240	4.1
513.15533	20.9
513.22662	2.7
513.29120	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01860	2.2
55.05502	2.5
57.03415	1.6
60.04510	2.9
61.02920	1.3
66.53822	0.6
67.05488	3.0
69.03431	7.1
69.07064	1.3
70.06586	5.6
71.04994	1.7
71.53024	1.0
72.08149	0.9
73.02908	0.6
77.03941	0.8
79.05492	1.5
81.03402	4.1
81.07038	3.0
83.04974	1.7
84.04488	2.0
84.08138	6.0
85.02911	8.3
85.06529	2.7
86.09691	2.0
91.05467	2.5
93.07035	3.9
95.04963	2.7
95.08601	1.8
96.08155	0.7
97.02888	4.1
97.06503	0.8
99.04445	1.6
103.05450	0.8
105.07025	5.7
107.04919	1.0
107.08575	1.5
108.04215	0.6
109.02893	3.9
109.06497	2.6
109.10112	1.1
110.07132	0.7
111.08053	0.7
117.03403	1.1
117.07034	1.6
119.04938	1.0
119.08584	2.8
120.08086	1.0
121.02836	1.4
121.06499	2.0
123.04362	0.7
123.08044	1.4
124.07555	1.6
127.03906	3.2
128.06213	0.8
129.06978	1.2
129.10233	1.0
131.04944	0.9
131.08556	1.3
133.06508	1.1
133.10123	2.0
135.04411	2.5
135.08000	0.8
135.11823	0.7
136.07552	0.8
137.05908	0.9
137.09634	1.1
138.09178	0.7
142.07713	1.3
143.08536	1.7
145.02940	0.7
145.06467	1.7
145.10143	1.9
146.06004	2.0
147.04425	5.9
147.08044	1.8
147.11693	1.4
148.07512	1.0
149.07881	0.8
157.10098	3.2
159.04359	0.8
159.08025	1.4
159.11739	0.8
161.09605	2.9
163.11252	0.9
171.04375	1.0
171.08072	1.7
172.08804	2.2
173.06013	1.7
173.09613	2.2
175.03870	1.0
175.07475	0.9
175.11121	1.5
177.05457	2.4
185.09628	5.7
187.07622	1.7
187.11035	1.7
189.05463	2.2
189.09096	14.6
195.08041	1.1
198.06706	1.1
199.11226	1.1
201.09091	7.7
203.10696	3.2
205.12276	1.2
207.06522	2.8
207.10146	1.3
211.07422	0.9
212.08347	1.4
213.09116	19.5
213.12492	2.0
215.10701	4.8
217.08664	0.9
219.13869	0.7
225.09085	1.4
226.09714	1.0
227.10829	4.1
227.14258	8.3
229.12230	1.6
231.10136	5.4
237.12711	5.3
240.11436	3.0
243.10181	1.4
245.11717	1.2
247.09602	1.5
247.13310	7.2
249.11205	3.7
251.14418	1.1
255.10335	3.9
255.13788	60.5
256.14114	1.8
257.07925	0.9
261.11288	0.7
265.14276	1.0
269.15384	4.0
273.11520	1.8
273.14890	5.1
275.12839	0.8
297.11728	0.8
297.14871	11.6
315.15897	100.0
316.16223	3.1
333.16922	1.1
349.27957	0.8
350.28317	1.0
351.28394	1.1
357.16989	0.7
391.17319	1.2
409.17300	1.3
427.18173	0.9
440.42676	0.7
469.21112	1.1
495.18170	0.9
513.19214	4.7
513.33978	1.5
514.19775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01860	2.2
55.05502	2.5
57.03415	1.6
60.04510	2.9
61.02920	1.3
66.53822	0.6
67.05488	3.0
69.03431	7.1
69.07064	1.3
70.06586	5.6
71.04994	1.7
71.53024	1.0
72.08149	0.9
73.02908	0.6
77.03941	0.8
79.05492	1.5
81.03402	4.1
81.07038	3.0
83.04974	1.7
84.04488	2.0
84.08138	6.0
85.02911	8.3
85.06529	2.7
86.09691	2.0
91.05467	2.5
93.07035	3.9
95.04963	2.7
95.08601	1.8
96.08155	0.7
97.02888	4.1
97.06503	0.8
99.04445	1.6
103.05450	0.8
105.07025	5.7
107.04919	1.0
107.08575	1.5
108.04215	0.6
109.02893	3.9
109.06497	2.6
109.10112	1.1
110.07132	0.7
111.08053	0.7
117.03403	1.1
117.07034	1.6
119.04938	1.0
119.08584	2.8
120.08086	1.0
121.02836	1.4
121.06499	2.0
123.04362	0.7
123.08044	1.4
124.07555	1.6
127.03906	3.2
128.06213	0.8
129.06978	1.2
129.10233	1.0
131.04944	0.9
131.08556	1.3
133.06508	1.1
133.10123	2.0
135.04411	2.5
135.08000	0.8
135.11823	0.7
136.07552	0.8
137.05908	0.9
137.09634	1.1
138.09178	0.7
142.07713	1.3
143.08536	1.7
145.02940	0.7
145.06467	1.7
145.10143	1.9
146.06004	2.0
147.04425	5.9
147.08044	1.8
147.11693	1.4
148.07512	1.0
149.07881	0.8
157.10098	3.2
159.04359	0.8
159.08025	1.4
159.11739	0.8
161.09605	2.9
163.11252	0.9
171.04375	1.0
171.08072	1.7
172.08804	2.2
173.06013	1.7
173.09613	2.2
175.03870	1.0
175.07475	0.9
175.11121	1.5
177.05457	2.4
185.09628	5.7
187.07622	1.7
187.11035	1.7
189.05463	2.2
189.09096	14.6
195.08041	1.1
198.06706	1.1
199.11226	1.1
201.09091	7.7
203.10696	3.2
205.12276	1.2
207.06522	2.8
207.10146	1.3
211.07422	0.9
212.08347	1.4
213.09116	19.5
213.12492	2.0
215.10701	4.8
217.08664	0.9
219.13869	0.7
225.09085	1.4
226.09714	1.0
227.10829	4.1
227.14258	8.3
229.12230	1.6
231.10136	5.4
237.12711	5.3
240.11436	3.0
243.10181	1.4
245.11717	1.2
247.09602	1.5
247.13310	7.2
249.11205	3.7
251.14418	1.1
255.10335	3.9
255.13788	60.5
256.14114	1.8
257.07925	0.9
261.11288	0.7
265.14276	1.0
269.15384	4.0
273.11520	1.8
273.14890	5.1
275.12839	0.8
297.11728	0.8
297.14871	11.6
315.15897	100.0
316.16223	3.1
333.16922	1.1
349.27957	0.8
350.28317	1.0
351.28394	1.1
357.16989	0.7
391.17319	1.2
409.17300	1.3
427.18173	0.9
440.42676	0.7
469.21112	1.1
495.18170	0.9
513.19214	4.7
513.33978	1.5
514.19775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82364	2.3
60.66476	2.3
63.08459	2.6
70.06586	5.7
71.06432	5.4
71.17313	2.1
77.82425	2.2
78.13596	2.3
84.08170	3.2
87.56610	2.2
115.37749	2.1
118.06545	19.7
120.74357	2.3
130.06560	2.7
132.08119	5.1
144.08095	10.3
146.06007	53.7
159.09175	8.7
165.00926	2.4
165.51108	2.2
170.06061	4.8
188.07065	100.0
189.07300	2.5
205.09718	39.0
209.58458	2.6
298.04819	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05483	0.3
69.03379	1.1
70.06590	2.7
71.04967	0.6
72.08110	0.5
77.40053	0.2
79.74429	0.2
81.03365	1.0
81.04512	0.4
83.04972	0.3
83.78602	0.3
84.04464	0.3
84.08098	0.6
85.02931	1.4
86.09711	0.5
91.05459	0.4
93.06956	0.3
95.04910	0.4
97.02850	0.6
99.04404	0.5
106.02903	0.3
109.02853	0.6
110.07158	0.7
116.07003	0.6
120.08076	0.3
121.06458	0.6
122.05986	0.3
124.03883	0.9
127.03838	0.9
127.04941	0.3
129.10234	0.5
131.04912	0.4
135.11642	0.4
136.06158	0.5
136.07509	0.6
137.06015	0.4
147.03015	0.3
147.04350	0.4
149.05870	0.3
164.07014	0.4
167.07068	1.3
168.07289	0.4
175.08641	0.7
177.05412	0.7
178.44237	0.3
187.08719	0.3
188.09407	0.4
197.12962	0.3
199.08618	1.1
199.12085	0.3
200.09445	3.7
201.08678	0.3
201.10257	4.5
202.10936	0.7
210.08470	0.4
213.10251	4.2
214.10989	3.5
215.11789	16.4
216.12468	1.0
217.09642	0.5
218.10521	0.3
219.11284	7.4
225.13904	0.6
226.10989	1.0
227.09045	0.5
227.11737	0.5
228.09177	1.0
228.12589	2.4
229.13260	0.3
230.14308	0.3
231.11275	2.2
232.11900	0.5
233.12732	0.5
241.09645	1.8
241.13336	3.7
242.10486	9.7
242.14139	0.5
243.11304	1.8
245.09174	0.6
253.13425	0.4
254.10423	0.9
255.11122	0.5
256.12024	3.1
259.10840	3.2
259.13748	0.4
260.11542	4.0
261.12350	0.6
269.12888	3.9
270.13596	0.5
271.14474	0.6
272.11502	0.7
274.13104	0.9
277.11823	3.2
278.12366	0.4
279.47687	0.3
282.09915	0.7
283.21887	0.3
287.13928	2.2
288.14655	0.6
289.15338	0.8
297.12311	5.6
300.11050	2.6
305.14859	0.3
315.13376	17.8
333.14438	23.1
351.15497	100.0
352.15738	1.3
405.65118	0.3
469.20764	0.3
513.20795	23.1
514.20825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01871	1.8
55.05513	6.4
55.66584	0.7
56.05025	2.6
57.03427	0.7
57.07076	14.2
58.06587	1.4
60.04526	63.6
65.03928	1.0
67.04238	1.0
67.05505	13.7
68.05038	0.6
69.07070	6.2
69.87341	2.2
69.87757	2.0
70.02957	1.1
70.06596	10.2
71.05011	1.0
71.08635	7.5
72.04506	2.2
73.02922	1.4
79.05489	6.8
80.05019	2.3
81.07054	12.1
82.06580	15.5
83.04988	1.5
83.08615	7.1
85.02878	0.8
85.06549	1.3
85.10164	3.0
88.02229	0.8
88.07631	14.0
90.05521	1.0
91.05495	4.8
93.07049	14.9
94.06565	15.2
94.07129	1.3
95.04971	12.4
95.08614	9.2
96.08125	3.3
97.06538	1.4
97.10181	2.2
98.09706	4.3
98.20815	1.5
102.09182	8.7
103.05463	2.6
108.08106	3.6
109.06525	2.4
109.10112	1.2
110.06046	3.3
110.09682	10.0
111.08087	3.2
112.07614	2.2
113.05943	0.9
120.08102	8.5
121.06480	4.6
126.09145	8.3
133.08577	0.9
138.09140	42.7
139.07527	6.2
144.10199	1.4
156.10205	27.7
174.11237	8.5
189.65067	0.8
228.23282	1.8
244.98717	0.8
256.26358	32.0
257.26843	0.8
274.27386	3.0
283.26324	36.9
311.29501	2.2
350.34195	1.1
356.35172	2.0
398.36316	1.4
458.40216	0.9
476.40997	1.9
494.42087	26.8
495.42133	2.0
512.42944	100.0
512.50378	86.6
513.43268	6.8
513.50665	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	512.337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78446	4.0
54.61719	3.7
55.05513	9.8
57.07071	12.2
57.63444	3.9
58.06599	26.6
59.66055	3.3
62.13421	3.7
67.05518	7.3
69.07060	8.1
70.06581	13.8
71.03003	4.7
71.03349	9.0
71.08622	7.6
81.07038	11.3
83.04982	41.3
83.08620	4.7
83.59605	4.7
88.07616	13.3
89.06023	18.1
90.36000	4.0
91.05463	4.1
92.31470	4.3
93.07037	18.5
95.04943	4.3
95.08614	9.7
95.63126	4.6
100.07586	5.3
102.09164	12.7
105.07011	19.1
107.08626	6.7
108.84546	3.7
109.10112	4.1
119.08572	13.4
121.10127	8.4
123.08076	6.6
123.11697	4.4
124.68251	3.9
131.08635	5.3
133.08624	6.0
133.10162	7.9
147.08011	7.3
149.09572	4.1
159.11725	6.0
161.13263	23.0
175.03906	18.6
185.13280	4.1
187.03911	6.2
189.12714	7.5
228.23405	5.3
229.08601	7.9
230.13777	4.7
241.08574	9.1
247.09618	25.8
256.26358	33.3
259.09778	5.5
261.14771	15.6
283.26306	39.6
311.16428	4.8
313.14276	8.0
331.15439	5.9
342.63934	4.3
355.03113	4.3
383.21985	6.0
435.32660	11.3
449.26965	9.4
453.33408	7.9
464.07092	4.4
512.37781	100.0
512.50226	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3737
Annotation	Daphmacrine
Peak:m/z	Relative Intensity
50.92906	0.5
53.03965	0.4
55.01867	0.5
55.05513	4.9
57.07077	2.0
58.06602	25.6
60.04511	1.8
67.05508	2.2
69.03413	0.6
69.07053	2.2
69.84135	2.5
70.06570	1.7
70.10432	0.4
71.08620	0.9
72.08157	1.0
79.05474	1.4
79.65051	0.4
81.07060	4.1
82.34166	0.4
83.04984	35.2
83.08630	1.5
84.05328	0.5
84.08173	0.5
85.02907	0.7
85.06558	0.5
85.10168	0.7
88.07634	1.8
89.06030	2.4
89.76727	0.4
91.05478	1.8
93.07047	3.7
95.04986	1.2
95.08608	7.2
97.06543	0.7
97.10160	0.6
100.07618	6.4
102.09184	1.8
105.07040	3.2
107.08590	3.5
109.06519	1.5
109.10156	3.3
111.04393	0.6
114.09143	1.3
117.07008	0.7
119.08575	3.6
121.10148	4.4
123.08067	7.6
123.11662	2.1
125.09660	0.5
127.11198	0.6
129.06987	0.8
131.08574	2.2
133.08600	1.3
133.10130	3.0
135.11678	1.3
137.09608	1.0
141.09180	0.6
143.08583	1.8
145.10141	3.1
147.11690	1.9
149.09604	3.6
149.13258	0.7
151.11200	0.9
157.10127	1.6
159.11719	3.2
161.09636	0.6
161.13275	2.6
163.14885	0.6
165.12787	0.7
167.10776	0.6
169.10141	0.8
171.11703	1.9
173.13284	1.6
175.11151	0.5
175.14883	0.9
177.11209	0.6
177.12784	0.6
183.11708	1.2
185.13306	1.8
187.11172	0.5
187.14825	1.6
189.12819	0.8
189.16406	0.6
191.14322	0.6
195.11777	0.9
197.13347	0.7
199.14868	1.5
201.12801	0.7
201.16438	0.7
203.14427	0.7
211.14799	1.0
213.16429	1.3
215.17938	0.4
225.16359	1.0
227.17976	1.3
228.23299	0.6
235.14633	0.4
239.17879	0.8
245.19060	0.7
251.17889	0.6
255.17534	0.5
256.26389	5.3
271.20612	1.0
274.27100	0.5
283.26306	6.5
295.24362	0.5
297.22168	0.4
311.23730	1.7
311.29657	0.8
313.25381	2.1
327.20251	0.8
337.25143	2.2
340.29095	0.5
379.26501	0.6
381.27826	1.9
395.29141	0.6
435.32614	9.9
452.35400	0.5
453.33685	7.6
494.36246	0.7
512.37378	100.0
512.48999	12.3
513.37720	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	512.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65032	2.6
55.05506	2.6
57.07063	13.0
65.03494	2.7
67.05502	6.1
70.06246	2.9
70.06589	15.9
71.08607	6.6
71.53179	3.5
81.07060	6.9
85.10212	3.2
88.07632	16.2
89.06026	4.2
93.07043	4.9
95.08604	3.6
102.09176	8.2
105.07027	4.2
109.10155	4.0
121.10162	3.1
133.10228	2.8
148.11977	2.4
150.49666	2.4
161.13269	3.0
175.03958	7.5
179.03462	2.8
217.03871	2.5
228.23264	6.2
234.97426	2.6
241.08696	4.2
243.10272	2.9
247.09708	4.8
256.26355	40.3
259.09769	3.2
274.27408	3.9
283.26257	44.4
295.13339	6.6
311.29651	5.2
313.14386	9.1
329.17535	2.8
331.15436	3.8
361.18115	3.0
379.18890	5.5
418.41809	2.5
494.35782	2.9
512.37421	19.2
512.50397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.0
55.01873	12.9
55.05514	17.1
57.03446	10.9
61.02928	28.4
65.03944	2.1
67.05505	35.8
69.03424	14.1
69.07072	25.6
71.04994	4.4
71.53472	2.4
73.02915	14.2
76.36707	1.6
76.69023	1.9
79.05494	30.8
81.02993	2.1
81.03424	25.9
81.06598	3.0
81.07058	52.2
83.04990	8.6
83.08597	6.7
85.02906	27.3
85.06522	2.5
90.38902	1.8
91.03968	11.8
91.05482	42.5
93.07046	29.0
94.07346	1.9
95.01315	8.1
95.04955	9.9
95.08617	28.2
97.02889	19.9
97.06538	21.7
97.10156	5.5
98.08645	1.6
99.04431	6.3
101.02386	3.3
105.07033	68.7
107.04954	18.2
107.08597	17.1
109.02873	5.6
109.06520	5.2
109.10174	11.4
111.08056	3.5
117.07021	14.2
119.08584	38.3
121.06506	5.0
121.10133	8.3
123.04401	2.5
123.08083	3.9
123.11722	1.7
125.09603	3.6
127.03929	13.2
129.07048	3.1
131.08565	19.5
133.10136	42.6
135.08095	4.4
135.11674	7.8
136.39334	1.9
137.09605	3.3
137.76295	2.0
139.07562	2.3
141.06889	2.4
143.08537	6.4
145.04941	4.8
145.06483	2.8
145.10133	18.4
147.11711	16.9
149.09622	6.5
149.13219	5.7
151.11203	3.4
155.08459	2.7
157.10124	4.0
159.11685	13.3
161.13245	5.9
163.11197	3.8
171.11621	3.3
173.13219	2.7
175.11264	2.4
177.12785	6.0
179.14282	16.2
181.12228	3.3
183.06563	5.5
183.11681	3.1
187.11154	3.8
191.90750	2.1
193.12274	2.8
197.13286	3.5
239.17937	4.6
244.76006	1.9
247.20360	2.6
257.18982	7.3
275.20065	100.0
293.21127	3.3
349.23737	42.9
377.23434	2.5
391.24530	2.5
457.25555	2.6
493.27695	4.1
511.28683	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	511.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24141	2.6
54.75241	2.6
55.01870	4.4
55.05515	4.7
57.03434	6.6
57.07076	4.9
65.03963	3.2
67.05504	30.0
69.03432	7.6
69.51402	6.1
69.51807	13.8
79.05485	10.2
81.03417	15.3
81.07041	5.1
85.06535	5.5
91.05476	18.4
93.07067	6.8
95.01328	86.6
95.04968	100.0
97.02904	2.6
97.06523	3.0
98.21616	4.5
103.05488	3.2
105.07018	25.0
107.04974	4.6
107.08597	4.6
109.06519	3.1
115.05469	5.3
117.07029	9.7
118.49564	2.8
119.08585	13.4
121.06535	10.3
123.04463	6.1
128.06219	15.9
129.07031	9.8
130.07768	4.7
131.04903	3.7
131.08549	11.6
133.06496	9.2
133.10156	4.8
135.08049	3.4
141.06976	9.0
142.07765	16.0
143.08571	52.1
145.06490	12.3
145.10095	17.3
147.04405	2.8
147.08034	8.7
147.11723	5.2
149.05997	7.7
153.07024	4.1
153.72044	2.8
155.08543	15.1
156.09393	4.6
157.06470	6.7
157.10123	23.8
159.08072	12.3
159.11713	5.2
161.05972	35.1
161.09641	3.0
165.06952	14.4
166.07817	11.7
167.08577	17.9
168.09372	6.9
169.06580	3.2
169.10117	27.1
170.42371	2.8
171.08051	63.2
171.11690	10.5
173.05870	5.1
173.09616	5.8
175.07547	17.4
178.55330	2.7
179.08580	18.3
180.09335	3.1
181.10110	24.4
183.08083	12.4
183.11671	21.9
184.12473	8.5
185.09634	10.6
185.13249	11.5
187.07558	3.3
187.11264	3.8
189.09166	6.0
190.07718	3.1
191.08553	7.4
192.09328	7.5
193.04968	7.4
193.10100	16.1
193.27145	2.7
194.07271	6.9
194.10930	3.3
195.08000	15.3
195.11664	9.7
196.08832	5.0
197.09608	19.5
197.13263	5.1
199.07597	3.0
199.11153	4.0
199.14899	6.6
201.05495	8.2
201.12756	4.7
203.08595	3.9
205.04973	5.7
205.10173	6.5
206.10950	6.5
207.08096	11.1
207.11687	12.0
208.08768	5.9
209.09637	33.6
209.13231	7.0
210.10312	3.4
211.07611	7.0
211.11188	21.0
211.14833	5.3
212.11847	4.4
213.09113	6.6
213.12756	9.5
215.10760	3.1
217.10085	5.6
219.06401	5.5
219.11702	5.4
221.09695	4.0
221.13249	4.2
222.10352	4.8
223.07547	5.8
223.11223	7.9
223.14934	7.6
225.09106	14.3
225.12724	7.2
227.10748	14.9
227.14450	3.4
228.11557	3.6
229.12212	7.9
232.08817	5.2
233.09621	7.6
235.07582	19.6
235.11189	12.0
235.14687	3.1
236.11829	3.9
237.09129	11.1
237.12756	13.6
245.09564	4.6
246.10324	6.7
247.11189	6.3
249.09138	4.1
249.12749	8.9
251.14304	5.4
253.08623	16.6
253.12234	6.0
255.10127	5.8
259.11197	4.8
259.15179	2.7
261.12747	4.5
263.10651	10.0
263.14343	3.3
265.12296	4.9
267.13873	4.7
268.93610	3.1
269.15527	6.8
273.12610	4.8
275.14459	5.0
277.12289	5.8
279.13773	7.4
279.17233	4.3
285.12555	4.3
287.13998	4.6
293.15500	3.3
295.13321	10.1
297.15057	16.8
297.18082	4.0
298.10056	4.0
299.10645	3.2
303.13690	6.7
305.15326	6.4
306.16113	3.7
307.16852	17.8
308.17596	9.6
313.14731	4.0
323.16495	4.2
329.15549	3.5
331.13367	19.3
333.14844	10.6
341.11777	5.2
349.14371	3.5
350.56177	3.9
351.15747	14.7
352.16751	22.6
355.17020	3.5
359.12784	25.5
360.99026	3.2
363.19479	4.0
373.17963	12.0
375.19699	4.6
377.13791	3.8
391.18997	11.5
393.20709	9.1
401.17517	7.6
409.20026	8.0
419.18552	9.0
437.19650	13.4
496.05777	3.3
511.22964	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	511.2176
Annotation	Lactoside B
Peak:m/z	Relative Intensity
51.16629	3.9
51.80666	4.2
55.05514	9.1
57.07078	4.2
62.61045	4.1
67.05514	26.2
69.03423	8.0
69.07069	7.9
70.06603	10.4
71.53698	6.6
72.08127	5.4
81.03401	9.9
81.07050	8.9
84.08128	5.8
85.02910	9.3
85.06544	16.7
86.09704	4.4
91.05484	13.4
93.07050	10.7
95.04935	7.5
95.08615	7.5
97.02879	5.5
109.02905	9.4
109.10139	7.3
113.53484	3.8
119.04938	10.7
119.08557	5.4
121.10108	6.3
125.09618	6.9
125.92171	4.4
127.03949	6.2
133.06488	4.9
137.05943	4.7
145.10159	6.1
147.04420	15.2
159.04411	7.2
163.03868	5.2
167.07077	6.5
173.09636	5.1
175.03900	100.0
175.69119	5.7
176.04530	4.4
176.56741	4.4
177.05501	11.6
187.03923	20.2
189.05516	7.3
201.05405	5.4
207.06549	15.1
229.08737	21.2
231.10251	9.5
241.08621	14.6
243.10207	15.5
247.09666	75.7
253.08582	4.6
259.09808	7.0
313.14371	20.9
331.15411	38.6
511.16254	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	510.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.9
57.03428	5.5
57.07077	49.6
60.08154	7.3
67.05491	17.4
69.07069	9.9
71.08629	31.7
71.53574	6.0
77.14610	4.0
81.07075	20.5
83.08610	22.1
85.02872	8.5
85.10167	23.0
86.09710	11.5
95.08622	29.7
97.10228	5.2
101.42073	4.1
104.10753	22.6
109.10131	14.1
113.05992	5.9
117.32713	4.1
123.11641	6.4
127.03907	4.6
172.31844	4.8
184.07394	25.0
234.46111	4.4
239.23656	56.2
245.69542	4.7
257.24719	7.4
291.95587	6.0
313.27371	100.0
331.28387	13.6
383.27783	8.6
387.15735	5.4
401.28870	12.0
510.35553	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	510.3546
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.37340	0.3
55.05502	0.8
56.05031	1.0
57.03437	0.6
57.07074	5.4
58.06601	1.2
60.08162	16.4
67.00282	0.3
67.05495	1.1
69.07058	1.0
69.68066	1.9
71.07372	5.6
71.08630	3.4
81.07051	1.2
83.08614	1.0
85.10170	1.7
86.09703	50.2
91.05464	0.4
95.08591	1.8
97.10162	0.6
98.98466	3.2
104.10739	100.0
105.11069	0.7
107.04955	0.5
109.10159	0.8
116.76035	0.3
118.96954	0.3
119.04910	0.4
125.00002	25.5
143.01056	0.4
163.03905	1.3
175.03865	0.3
184.07335	98.3
185.07623	0.4
197.84143	0.3
201.51050	0.3
239.23735	1.5
258.11066	1.1
259.80164	0.3
313.27338	4.9
327.28873	1.4
492.27957	0.6
492.34546	8.0
510.35544	29.8
511.35675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40550	0.6
53.03958	1.7
55.01858	1.4
55.05518	3.5
56.05028	3.8
57.03441	2.2
57.07076	0.7
60.04527	100.0
61.02936	1.8
61.04860	0.9
62.16509	0.7
65.03943	0.6
66.92849	0.6
67.05505	12.2
67.05844	1.2
68.00145	0.6
68.05042	0.6
69.03420	6.9
69.07071	2.4
69.98891	2.3
69.99303	1.2
70.06590	3.3
71.04990	2.1
72.04514	3.7
73.02915	1.1
74.06085	3.3
79.05496	9.6
80.05024	1.7
81.03412	4.8
81.07052	12.8
82.06577	1.9
82.07417	0.7
83.04971	1.5
83.08620	1.3
84.04517	1.8
84.08132	0.9
85.02905	13.6
85.06532	0.6
86.06068	2.7
86.09747	0.7
87.04487	0.8
90.05559	1.0
91.05485	8.0
93.07047	12.6
93.07562	1.0
94.06574	2.6
95.04980	2.3
95.08617	10.4
96.08147	1.7
97.02902	5.2
97.06538	1.2
99.04504	1.9
99.08109	1.1
100.07619	0.9
102.05542	1.5
104.07121	2.2
105.07029	5.2
107.04971	1.2
107.08579	6.4
109.02902	1.9
109.10160	5.8
110.07168	0.7
111.04458	0.7
111.08127	1.0
112.07609	1.7
116.07113	1.5
117.07062	1.5
119.08579	5.9
120.08131	1.5
121.06487	0.8
121.10135	9.7
122.06000	1.0
123.04472	2.2
123.08119	1.3
123.11720	1.6
125.09631	1.1
127.03921	3.1
129.07031	1.4
131.08600	2.8
133.10133	3.6
133.69875	0.6
134.09630	0.8
135.11716	2.7
136.07562	4.0
136.11226	0.9
140.07039	0.7
142.99445	0.7
143.08517	0.8
145.04973	1.1
145.10144	1.6
147.04440	1.1
147.11755	2.9
149.09641	1.9
149.13345	1.9
159.11693	0.9
161.13280	1.7
165.05508	3.1
166.04968	1.0
173.13223	0.8
182.08115	5.1
188.09213	1.6
206.10298	1.6
207.06528	1.0
209.15388	1.6
224.11336	2.4
258.22253	1.6
276.23264	2.7
294.24323	4.5
312.25290	8.5
315.35541	0.7
330.26373	31.0
331.26608	1.1
348.27432	83.0
349.27835	2.9
369.81177	0.8
372.27405	1.1
390.28366	2.3
426.28583	0.7
438.28568	1.5
456.29642	2.7
474.30658	2.3
492.31772	6.3
510.32776	47.8
511.15884	1.1
511.33075	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15274	0.3
53.03948	1.0
55.01879	1.2
55.05507	3.1
56.05035	3.7
57.03196	0.5
57.03431	2.2
57.07085	0.5
58.06607	0.7
60.04526	100.0
61.02927	1.5
61.07882	0.3
65.03930	0.4
67.05502	12.2
68.05029	0.6
69.03433	6.7
69.07063	2.6
70.06581	2.9
70.21781	0.9
70.22171	0.8
71.04996	1.5
72.04514	3.3
72.08157	0.5
73.02914	0.6
74.06078	4.0
79.05491	10.2
80.05011	1.9
81.03413	3.7
81.07056	15.2
82.06583	1.9
83.04990	1.2
83.08633	1.6
84.04507	1.4
84.08154	1.7
85.02905	12.9
85.03427	0.5
85.06530	2.1
86.06065	2.7
86.09721	0.5
87.04482	1.1
90.05567	1.2
91.03964	0.5
91.05477	7.4
93.07047	9.2
94.06570	2.0
94.30547	0.4
94.31158	0.4
95.04946	2.5
95.08606	11.2
96.04478	0.4
96.08146	1.9
97.02887	4.2
97.06543	1.6
97.10155	0.6
98.06075	1.3
98.20827	0.4
99.04464	1.7
99.08112	0.9
100.07673	0.6
102.05547	1.2
104.07096	2.4
105.07024	5.4
107.08598	5.6
108.08134	0.8
109.02883	2.6
109.06536	1.1
109.10166	4.5
110.06070	0.7
110.09675	0.8
111.08081	0.7
112.07615	1.5
113.09620	0.4
114.09209	0.4
115.05544	0.4
116.07101	1.1
117.07020	2.0
119.08589	4.7
120.08114	1.5
121.06523	1.2
121.10151	5.6
122.06034	0.6
122.09653	0.4
123.08052	1.0
123.11718	1.6
124.07610	0.7
125.09635	0.6
126.09121	0.8
127.03902	2.7
129.07047	1.1
129.10341	0.4
130.08707	0.4
131.08534	2.9
133.10110	3.5
134.09659	0.9
134.10599	0.4
135.08119	1.0
135.11691	3.2
137.09669	0.6
138.05531	0.5
140.10753	0.7
142.05005	0.6
142.08629	0.8
143.08575	1.0
145.05006	0.9
145.10127	1.9
147.11700	3.0
147.12746	0.6
149.05956	0.4
149.09612	0.4
149.13286	1.3
151.11180	0.4
157.10071	0.8
159.11731	1.4
161.09650	0.4
161.13268	1.9
163.14745	0.5
166.08627	0.6
170.08128	0.4
171.11760	0.7
173.13295	0.9
175.04047	0.4
175.14859	0.5
178.05011	0.5
185.13147	0.5
188.09285	1.3
192.06673	0.5
199.14703	0.6
203.18001	0.9
206.04605	1.0
206.10316	1.5
209.15370	0.8
217.19582	0.5
224.11359	2.1
227.16429	0.6
244.13274	0.5
258.22223	0.6
259.20776	0.6
270.24292	0.6
276.23196	4.2
294.24307	5.0
312.25327	8.0
313.25650	0.6
330.26367	26.5
331.26904	1.0
348.27432	80.7
349.27737	3.7
372.27802	0.8
390.28647	1.5
420.27478	0.4
426.28516	0.6
426.37906	0.4
438.28500	1.2
455.71585	0.4
456.29468	2.7
474.30560	1.5
492.31812	4.5
510.32806	45.7
511.17969	0.6
511.33182	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	510.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01871	3.6
55.05507	4.1
57.03430	2.7
57.07073	3.4
61.02935	1.5
67.05504	4.5
68.99790	0.6
69.03429	6.9
69.07069	14.8
70.06581	2.0
71.04990	3.6
71.08628	5.2
71.53264	0.9
73.02925	4.7
73.79369	0.5
74.81734	0.5
79.05497	3.3
81.03419	7.5
81.07053	17.7
83.04977	2.8
83.08618	4.4
85.02902	27.9
85.06540	4.3
85.10169	2.5
87.00821	5.9
91.05481	2.6
93.07059	4.1
95.04965	1.3
95.08605	6.8
97.02885	6.7
97.06523	2.0
97.10164	1.1
99.04455	7.6
99.08070	0.9
101.02382	7.7
105.01859	4.2
105.03374	0.9
105.07026	7.8
107.08588	7.9
109.02879	6.0
109.06493	4.0
109.10142	1.7
110.07152	0.6
111.08083	1.5
113.06009	2.0
115.07586	1.3
117.01904	0.6
119.08557	4.9
121.06567	0.8
121.10141	9.9
123.08084	4.8
123.11703	24.5
123.12600	1.4
127.03925	7.2
127.07539	7.4
131.04921	1.2
131.08525	1.1
133.10088	0.7
137.09599	0.8
137.13206	1.5
139.07567	0.6
141.09090	2.9
145.04918	3.1
145.10158	1.1
147.11681	28.0
149.13184	1.0
155.14310	6.2
157.61942	0.6
159.02901	2.3
165.12744	21.1
166.13100	0.7
167.06996	1.1
175.03882	0.9
178.08055	0.6
183.13803	86.8
184.14066	1.2
201.14854	100.0
202.15227	2.6
218.11794	1.4
227.16417	1.9
231.04997	1.5
271.06155	0.6
272.05447	0.8
327.10007	0.5
331.65103	0.6
510.19998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24900	5.4
53.03931	13.9
55.01870	8.3
55.05508	18.8
57.03426	14.4
60.04517	7.4
61.02919	5.9
63.61489	5.7
65.03930	6.6
67.05499	46.3
69.03432	60.5
69.07072	18.6
70.06594	42.9
70.25536	5.6
71.04982	24.6
71.52084	7.5
72.08147	25.5
73.02914	7.5
74.06076	9.2
79.05500	59.9
80.91864	5.6
81.03418	58.5
81.07058	98.4
83.05008	44.2
83.08619	16.9
84.04522	7.8
84.08128	15.8
85.02914	41.2
85.06547	18.4
86.06078	7.4
86.09710	26.8
91.05483	40.8
93.07047	83.5
95.04971	20.2
95.08598	41.6
97.02902	34.5
97.06543	27.7
97.74813	4.8
98.06030	12.9
99.04489	26.9
99.08100	11.9
101.02354	7.2
105.01879	6.5
105.07024	37.7
106.07381	5.4
107.04979	11.3
107.08580	26.4
109.02876	41.5
109.06513	19.4
109.24264	5.3
111.04444	24.3
111.08090	10.7
116.07082	8.9
117.05509	15.7
117.07014	22.6
119.04936	8.3
119.08555	21.3
120.08119	36.2
121.02920	6.3
121.06505	18.4
121.10111	13.5
123.04422	8.7
123.08118	6.6
127.03907	49.2
129.06897	7.7
131.08578	22.3
133.06480	5.8
133.10130	21.4
135.08064	16.4
135.11690	26.7
136.07610	13.5
137.05965	7.6
143.08571	13.7
144.06493	6.8
145.05019	7.0
145.06532	5.7
145.10133	12.7
147.04401	11.7
147.11664	15.9
149.09589	8.8
149.13290	14.2
151.03896	7.0
157.10132	7.5
159.11662	39.3
161.13206	7.0
165.12849	11.5
173.09290	6.9
173.13268	8.1
174.05598	7.5
175.03860	9.0
175.11119	11.3
177.05452	6.9
177.12717	36.2
179.14291	8.0
181.04956	7.1
189.12717	9.3
193.12167	13.0
195.13800	28.5
202.08708	8.5
205.11900	5.9
207.06700	7.0
207.13698	7.6
211.13388	6.7
225.14824	8.1
261.12445	8.4
267.12286	16.6
285.14893	11.9
303.15820	21.1
311.10345	14.1
321.16946	100.0
329.11295	19.6
329.15179	16.0
339.17966	23.7
347.07605	12.6
347.12195	14.3
347.16431	8.6
467.06406	7.3
473.15662	10.4
509.17215	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	509.163
Annotation	Eurostoside
Peak:m/z	Relative Intensity
53.03940	0.8
55.01847	0.6
55.05504	0.4
56.05017	0.4
60.04526	0.6
61.02921	0.5
61.69136	0.4
67.02029	0.4
67.05499	1.0
69.03423	1.9
69.25767	0.4
70.06606	1.6
71.04980	1.1
71.52036	0.6
72.08141	0.8
79.05471	0.6
81.03410	1.5
81.07044	1.8
83.04971	0.6
84.08135	0.9
85.02915	3.3
85.06556	0.6
86.09689	0.5
91.05499	0.8
93.07034	1.1
95.04971	1.0
95.08602	0.6
97.02898	1.5
99.04464	2.9
105.03374	0.9
105.07028	1.3
107.08616	1.0
109.02867	1.8
109.06469	0.6
109.10123	0.6
114.75357	0.4
116.07095	0.5
119.04953	0.6
119.08582	0.8
120.08131	1.1
121.02876	0.8
121.10098	0.5
125.09566	0.4
127.03939	1.9
130.06430	0.4
135.04491	0.6
136.07590	0.5
147.04378	1.0
149.09653	0.9
159.11667	0.6
173.13177	0.5
175.03970	0.6
176.06993	0.5
199.03732	0.6
207.06573	1.6
216.10046	0.5
225.14928	0.7
226.15271	0.6
231.09967	0.6
243.02667	25.0
244.03474	5.4
244.09645	0.7
261.03616	0.5
262.10715	1.0
287.05222	0.9
288.05579	0.5
289.03418	0.5
301.03397	0.7
329.09793	0.9
332.05161	2.1
346.10123	3.7
347.07538	4.9
347.11118	35.2
509.16312	100.0
510.16739	3.0
527.34302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.6
55.05508	6.4
57.03433	6.2
61.02917	5.1
67.05499	11.3
69.03429	45.8
69.07066	9.1
69.78397	12.3
69.78808	6.9
70.06582	7.8
71.04971	6.4
73.02914	4.6
77.66292	3.5
79.05486	7.9
81.03414	26.6
81.07065	24.0
83.04955	4.0
84.08130	3.8
85.02386	5.2
85.02905	100.0
87.00822	46.6
93.07056	9.9
93.53907	3.1
95.04960	7.5
95.08605	72.5
97.02887	41.2
97.06570	4.3
97.10177	4.1
98.20766	7.6
99.04456	15.1
100.45830	3.2
102.39574	3.6
102.65404	3.5
105.01862	96.1
105.07027	21.4
107.08581	12.9
109.02883	31.1
109.06526	5.1
109.10191	3.5
111.77884	3.5
113.06010	6.8
119.08594	9.4
121.10124	4.9
125.09603	4.7
127.03918	78.1
133.10074	5.6
135.11653	6.1
145.04958	38.9
146.59853	3.2
147.11681	13.4
151.07562	6.9
151.11148	3.6
159.02884	9.4
161.13205	6.6
177.12662	4.2
189.12740	15.1
195.13786	6.8
207.06551	9.1
207.13789	76.5
213.03903	7.8
225.14816	20.0
231.05011	32.1
249.06107	12.3
443.18204	3.4
455.19089	5.3
482.02997	3.5
492.51630	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	508.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.4
55.01870	4.6
55.05503	4.9
56.05049	2.7
56.07327	1.9
57.03444	5.0
59.04996	3.5
60.04517	7.0
61.02917	4.8
62.20770	1.9
65.22184	2.1
67.05509	7.3
67.60903	1.9
69.03434	23.0
69.07066	8.7
70.06596	11.9
70.83270	3.9
71.04987	6.0
73.02907	4.2
74.06069	10.7
79.05498	6.1
79.63828	1.8
81.03432	21.2
81.07070	7.9
83.04971	5.5
83.08621	2.6
84.04504	3.1
84.08137	4.1
85.02909	44.7
85.06539	3.0
86.09713	7.0
87.00824	15.4
87.04465	2.2
91.05476	8.2
93.07053	9.4
95.04962	3.9
95.08632	11.7
97.02898	22.6
97.06529	4.3
99.04449	16.8
101.06033	2.8
105.01875	19.6
105.03418	3.1
105.07040	9.7
107.08607	14.1
109.02884	38.3
109.06503	5.6
109.10123	4.5
111.08131	4.2
115.07581	2.8
115.31725	1.9
116.07111	2.8
119.08587	11.4
120.08109	4.7
121.02856	2.3
121.06497	4.6
121.10152	7.6
123.08083	13.0
123.11701	3.2
124.07592	2.5
124.35213	2.3
127.03926	41.6
129.01854	2.5
129.10260	2.8
130.06506	11.0
131.08580	2.7
133.06473	2.9
133.10136	3.6
134.70213	2.2
135.04379	2.1
135.11673	2.4
137.06017	2.4
137.09636	4.6
139.11192	3.7
140.07051	5.1
141.01788	2.1
145.04965	19.0
145.10144	3.1
146.05957	2.5
147.02913	2.5
147.11710	6.8
149.09656	3.8
151.07544	2.9
151.11166	7.4
158.06055	5.8
159.02921	10.7
161.13286	9.5
162.05450	4.5
165.05663	2.9
165.09125	3.0
165.12796	4.0
167.07079	2.3
178.05013	7.8
179.14317	4.4
181.12244	7.2
188.07072	37.8
189.12747	11.5
197.15378	7.6
199.13274	2.3
200.07101	3.4
206.04373	10.5
206.08273	4.3
207.06635	2.8
207.13809	33.0
210.09166	24.5
212.07135	17.0
213.04015	3.9
225.14847	71.9
231.05026	12.8
242.11768	100.0
243.12134	5.4
243.15871	8.3
244.93770	2.2
249.06049	5.7
260.12848	54.6
310.23834	3.5
311.14972	5.1
323.10214	2.6
328.19077	2.4
346.25980	4.8
347.07516	3.1
356.57251	2.4
437.18051	6.4
455.19022	3.8
464.19467	3.8
473.20065	14.7
508.18259	12.8
508.31433	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	508.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	1.4
58.06593	1.6
67.99881	0.6
69.83273	2.4
70.06560	0.9
72.64233	0.6
77.62004	0.6
82.25327	0.6
84.08135	0.7
85.02890	0.7
88.68771	0.6
89.33024	0.7
98.92535	0.6
98.97588	2.3
100.11250	3.2
103.36001	0.6
111.49660	0.7
116.00299	0.6
116.98603	0.9
123.25942	0.6
128.98607	0.9
131.00215	0.7
144.10193	3.3
158.99544	0.7
160.14009	0.7
166.08405	100.0
167.08748	1.3
182.05710	0.8
184.08209	1.0
188.14478	0.7
190.03581	0.6
200.07802	0.8
201.00766	0.6
202.09245	8.3
213.47058	0.8
219.01852	1.2
220.63269	0.8
226.09244	40.0
227.09340	2.1
237.02831	1.9
238.09245	3.6
242.07063	1.8
243.01994	1.0
244.10295	17.2
256.10297	2.0
267.12024	0.8
268.10309	1.0
280.10492	0.8
286.11334	5.6
328.12323	1.3
342.22305	0.7
448.20255	1.0
508.14496	0.7
509.12720	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.2
55.01855	6.4
55.05511	11.3
57.03421	7.9
60.04519	3.1
61.02916	5.4
67.05508	21.4
69.03424	45.0
69.07044	8.1
70.06593	29.5
71.01349	1.9
71.04975	10.4
71.06927	2.0
71.52776	4.2
72.08147	12.7
73.02898	5.2
74.06062	2.6
79.05493	17.0
80.58397	2.2
81.03416	37.0
81.07056	31.4
83.04972	8.2
83.08613	2.7
84.04507	4.7
84.08132	7.8
85.02904	100.0
85.06506	2.7
85.52815	2.5
86.09692	9.7
87.00307	4.3
87.00825	54.3
91.05456	9.2
93.07050	12.6
94.06563	3.1
95.04972	11.0
95.08604	74.3
97.02886	36.8
97.06516	6.9
97.10140	5.4
99.04456	16.7
105.01865	75.9
105.03339	2.7
105.07022	25.3
107.04951	2.9
107.08597	11.8
109.02880	30.5
109.06494	6.5
111.08054	6.1
112.07655	2.6
113.05983	7.4
116.07060	4.6
119.08571	10.8
120.08086	7.1
121.02851	2.6
121.10140	7.9
122.02684	2.8
123.08066	8.2
124.07646	2.8
125.05844	2.9
125.09651	5.0
127.03918	83.1
129.10237	4.3
131.08548	4.7
133.06493	2.5
133.10109	9.0
136.07547	5.7
137.05981	3.5
137.09586	2.6
140.07079	2.7
142.08643	5.4
145.02840	2.4
145.04956	31.5
145.10103	3.2
147.08011	4.7
147.11700	13.9
149.09541	3.5
151.03964	2.2
151.07520	8.8
151.11162	7.0
153.03439	2.1
154.05023	2.5
154.08607	4.1
159.02858	10.5
159.11656	2.9
161.13216	7.8
166.08633	2.9
171.11707	3.0
177.12723	6.5
189.12730	16.1
199.59891	2.5
206.04457	4.5
207.06563	4.4
207.13797	59.7
213.03935	8.3
225.14833	17.5
231.04993	28.4
249.06091	10.3
328.15622	3.3
366.10489	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	507.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60936	1.3
53.03936	3.3
55.01859	1.8
55.05268	2.3
55.05510	24.6
57.03436	5.4
57.07072	14.4
59.04993	3.6
65.03936	2.8
67.05505	100.0
69.07068	18.6
70.90324	3.5
71.04989	4.8
71.08648	8.3
79.05071	2.9
79.05493	31.8
81.03410	5.7
81.07056	71.4
83.04977	2.7
83.08620	17.8
85.06524	4.1
85.10179	3.5
91.05486	20.6
93.07041	40.6
95.04961	5.3
95.08608	45.9
97.06526	5.0
97.10180	15.9
99.08119	2.8
105.07030	18.4
107.08591	27.4
109.06510	2.9
109.10158	58.3
111.08080	4.0
117.07035	8.5
119.08575	16.9
121.10143	16.2
123.08052	2.9
123.11706	11.6
125.09631	9.8
127.68095	1.3
131.08559	13.9
133.10121	15.1
135.11676	13.7
137.09631	4.2
137.13257	4.1
143.08524	2.9
145.10101	10.9
147.11684	9.7
149.13280	11.5
151.11105	1.7
152.98540	1.2
155.10661	2.0
159.11665	10.9
161.13278	8.3
163.14819	5.3
171.11620	2.5
173.11749	15.3
173.13264	7.1
175.14726	1.6
177.12912	2.3
185.13219	2.9
186.02454	1.3
187.14859	5.7
189.11226	6.8
195.13924	2.1
199.14874	2.3
211.99983	1.4
227.12810	11.0
229.14340	29.4
231.15794	1.7
238.88284	1.3
239.23715	2.6
243.21115	4.1
261.22153	24.0
279.23126	2.4
289.21573	1.6
299.23596	1.6
310.53317	1.4
317.24649	3.6
335.25818	20.9
345.99362	1.7
353.27219	1.5
379.29819	2.5
397.31003	7.9
404.79446	1.4
415.32242	8.0
433.33087	6.6
471.34680	3.5
489.35776	37.6
507.23709	3.2
507.39667	22.7
508.30258	3.9
514.47168	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54245	3.1
55.05502	15.2
57.07076	40.7
67.05505	65.0
69.07069	21.6
69.32983	26.1
71.04974	4.9
71.08625	34.6
79.05488	26.8
81.07056	69.8
83.04968	6.1
83.08621	22.3
85.10201	13.9
91.05470	10.9
93.07045	41.7
95.08609	39.1
97.06561	6.6
97.10175	9.0
105.07052	6.1
107.08570	20.9
109.10164	22.6
111.08092	6.1
117.07026	4.2
121.10133	14.2
123.11682	7.5
131.08527	6.2
133.10139	8.5
135.11694	9.2
140.18393	3.9
149.13275	24.4
158.88570	3.7
159.11714	10.2
177.12834	4.9
182.09889	3.7
195.13829	8.4
239.23682	12.3
349.05002	3.8
492.77432	4.2
507.40466	100.0
508.40814	7.8
524.83789	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	507.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49847	1.3
55.05500	3.5
57.03427	4.1
57.07078	11.3
67.05500	7.7
69.07055	4.7
71.08642	8.7
71.53757	2.5
79.05494	2.4
81.03423	3.1
81.07044	7.6
83.01089	2.2
83.08623	4.8
85.10174	5.7
91.05476	2.9
93.07046	3.7
95.04993	1.6
95.08607	8.5
101.87957	1.1
103.11423	1.3
105.07031	1.8
107.08575	3.5
109.10176	4.6
121.10094	1.3
127.03699	2.9
131.08615	2.2
135.11684	1.6
149.13292	1.4
155.06682	2.8
171.06244	2.5
176.99310	2.3
195.00291	44.6
195.02075	2.4
242.09074	2.5
243.12004	2.4
313.27408	12.8
327.15643	10.2
332.62820	1.2
371.14664	4.7
421.21881	5.6
489.26230	6.5
507.26862	72.3
507.32974	100.0
507.39804	3.8
508.26660	2.7
508.33545	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	507.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01873	3.6
55.05511	25.3
57.03423	6.6
57.07082	15.4
65.03931	3.7
67.05508	100.0
69.03439	2.0
69.07076	18.2
70.06100	7.7
71.04981	5.2
71.08625	9.2
77.32944	1.8
79.05495	34.5
81.03413	3.1
81.07059	75.2
83.04971	5.8
83.08614	20.2
85.06527	5.7
85.10172	6.1
91.05486	18.3
93.06481	3.5
93.07047	44.8
95.04990	4.2
95.08608	52.8
97.06533	3.7
97.10171	17.2
98.21425	2.1
99.08109	2.2
105.07030	17.1
107.08600	26.1
109.10161	58.7
111.08051	3.9
117.07033	8.0
119.08572	19.3
121.10138	20.0
123.11684	7.9
125.09634	10.0
131.08577	13.9
133.10156	13.4
135.08080	2.7
135.11691	13.2
137.09596	2.6
137.13254	3.7
143.08556	3.3
145.10138	9.3
147.11668	10.9
149.13274	13.7
151.14795	2.4
153.09058	4.0
157.10143	2.7
159.11710	9.1
161.13266	6.1
163.14828	4.2
166.94997	1.7
171.11656	3.1
173.11746	13.3
173.13249	6.5
177.12634	2.7
185.13301	3.1
187.14850	4.1
189.11310	9.2
195.13716	3.0
197.13107	2.2
213.26738	2.0
227.12788	11.5
229.14333	34.1
231.48650	1.9
234.23265	1.9
239.23706	2.9
243.21065	2.9
247.09618	2.5
249.18297	2.5
259.20541	3.8
261.22147	23.1
279.23148	2.7
314.01434	1.8
317.24878	3.0
335.25836	17.2
336.35083	2.0
351.25409	2.4
379.29889	2.7
384.32483	2.1
397.30930	9.0
415.32062	9.6
433.33054	7.9
471.34796	2.9
489.35742	44.2
507.25186	2.3
507.36871	25.1
507.39429	22.6
508.30426	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	506.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.05508	21.0
57.03429	6.2
57.07065	7.0
67.05512	25.3
69.03435	19.4
69.07069	26.0
70.06570	3.9
70.64375	4.1
70.73090	10.9
71.04980	17.1
76.45747	4.4
79.05491	12.1
81.03419	19.0
81.07056	35.5
83.08612	16.9
85.02911	45.3
85.06549	50.8
87.00832	22.5
91.05472	10.5
93.07025	26.9
95.04961	4.7
95.08611	41.1
97.02884	12.2
97.06538	6.3
97.10172	10.6
99.04433	9.3
99.08078	13.3
105.01868	14.6
105.07027	7.0
107.08583	38.5
109.02867	14.4
109.10161	43.9
111.08092	7.6
111.11710	4.8
113.09663	4.3
119.08582	7.4
121.10149	45.8
123.11700	37.3
123.56938	3.9
125.09634	5.1
127.03914	18.9
129.01845	4.6
135.11679	26.1
137.13254	9.5
137.70340	3.7
145.04930	13.0
149.13249	33.7
158.41801	3.9
159.02902	5.7
163.14815	10.3
165.16344	4.0
167.14355	17.3
177.16344	5.8
179.17984	8.9
198.89256	3.8
205.19537	52.4
223.20572	85.6
241.21626	100.0
291.19473	5.8
365.23322	7.2
365.79877	3.6
421.96866	4.4
450.08966	4.2
506.19760	5.8
506.34540	8.3
507.21671	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	506.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	11.0
55.01854	11.6
55.05487	19.3
67.05502	54.1
69.03411	38.7
69.07047	41.2
70.06587	24.5
71.08628	13.0
71.52808	17.2
79.05478	36.4
81.03407	52.6
81.07066	100.0
83.04959	22.5
83.08605	26.5
84.08124	14.0
85.02897	87.5
85.06550	18.2
86.09700	12.4
87.00820	25.3
91.05477	26.0
93.07045	44.2
95.04965	30.5
95.08612	92.9
97.02882	35.3
97.06528	20.9
97.10160	23.4
99.04437	15.1
105.01864	32.5
105.07003	25.5
107.08591	66.7
109.02869	34.9
109.10145	74.6
113.09615	77.4
119.08598	18.5
120.08069	18.7
120.08864	12.4
121.10154	61.1
123.11684	48.4
125.09612	22.1
127.03923	56.5
131.08459	17.6
133.10095	18.8
135.08109	12.5
135.11676	42.4
137.13275	18.6
145.04921	22.0
145.10097	16.3
149.13254	42.0
159.02919	22.4
159.08043	12.9
180.38625	11.5
191.99899	10.9
205.19576	61.4
223.20532	31.1
241.21623	30.4
242.08279	13.1
244.05907	13.7
250.17442	11.6
257.15445	17.0
257.92459	12.6
257.99731	11.7
258.15518	16.2
274.06848	12.6
404.49109	12.2
488.16821	15.1
506.17862	15.3
506.32715	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01853	0.7
55.05518	1.2
56.05016	0.9
57.03446	1.2
60.04514	3.2
61.02919	0.9
65.71432	0.7
67.05499	2.5
68.05018	2.0
69.03424	2.6
69.07064	1.4
69.33527	1.4
69.33926	5.7
70.06593	26.1
71.04974	1.3
72.08153	2.9
73.02930	1.1
73.06557	1.1
79.05489	1.0
81.03419	3.4
81.07043	1.4
82.06580	1.9
83.04964	0.8
84.04492	1.4
84.08127	2.2
85.02901	8.2
86.09698	2.2
87.04459	3.3
89.06028	100.0
90.06374	1.0
91.05448	1.3
91.07504	0.8
93.07017	2.1
94.80510	0.7
95.04970	2.6
95.08629	1.3
97.02868	4.2
99.04459	1.1
105.07027	1.7
107.07088	2.7
107.08607	2.2
108.04485	0.9
109.02893	2.9
112.07597	3.6
114.05522	3.2
117.07078	0.7
119.07311	1.1
119.08592	1.6
120.08105	1.8
121.02905	1.2
121.10117	0.9
122.09615	0.8
123.08107	0.9
124.07553	0.9
127.03929	2.9
128.07066	6.1
129.10257	1.3
130.08595	1.5
131.07106	1.3
131.08510	0.9
132.04433	0.8
133.06493	2.2
133.08603	59.8
133.10219	1.7
135.11653	1.1
136.07608	1.6
138.09135	0.9
139.07426	0.8
143.04880	1.1
145.04903	1.1
147.04443	1.5
149.06018	0.9
150.12778	1.6
151.09666	0.9
153.12775	1.3
156.07681	0.7
159.11757	1.2
163.11227	0.7
175.07527	0.9
175.11171	1.1
175.89526	0.7
176.14371	3.2
177.05652	1.2
177.11229	19.6
177.12677	1.0
187.11131	5.2
194.15385	5.7
195.12270	1.0
205.08395	0.9
205.12253	1.1
207.06578	1.3
212.34026	0.7
221.13884	3.2
223.13222	0.9
239.14845	4.8
240.16010	2.6
249.07681	1.6
273.07690	1.0
274.12982	1.1
283.17490	3.8
292.13852	1.7
308.14737	1.4
309.09656	0.8
315.13394	1.3
326.16019	2.7
327.20126	77.6
328.20322	1.7
336.12866	5.4
344.15421	2.9
345.06482	0.9
351.18152	0.8
506.20795	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01418	0.1
53.03941	0.2
55.01870	0.2
61.02946	0.2
67.05502	0.3
68.99787	0.2
69.03431	1.2
69.07079	0.2
70.06593	0.2
70.88448	0.3
81.03422	1.0
81.07066	0.3
82.17345	0.1
85.02911	1.1
85.06597	0.1
87.00835	0.4
91.05485	0.2
93.07039	0.2
95.04944	0.2
95.08572	0.1
97.02896	0.5
99.04449	0.3
107.08624	0.3
109.02895	0.8
109.10162	1.0
110.09666	0.2
119.08582	0.2
120.08144	0.2
121.10187	0.2
123.08105	0.2
127.03936	0.8
127.11194	0.2
133.10089	0.2
139.46422	0.1
145.04956	0.2
159.02957	0.1
165.09100	0.2
166.08638	0.6
169.05290	0.2
188.07082	0.2
201.01041	0.1
207.16653	0.1
212.07120	0.4
214.04985	1.3
215.05771	0.4
223.16873	0.3
225.04213	0.3
226.04970	0.3
229.03749	0.7
240.06531	0.5
242.04494	3.4
243.05280	45.9
244.05647	0.8
257.03238	0.4
258.07626	100.0
259.07959	1.5
310.07895	0.3
340.09393	0.2
344.11472	0.4
353.11215	0.3
368.08310	0.2
410.09763	0.2
420.12918	0.6
462.13876	1.2
506.12842	11.2
507.13358	0.2
523.25671	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.3
55.01866	17.1
55.05510	9.3
56.05032	5.0
57.03423	16.0
60.04513	15.5
61.02919	9.6
67.05487	9.4
69.03429	46.6
69.07066	10.0
70.06591	76.4
71.04991	13.1
71.53376	5.0
72.08141	21.8
73.02895	11.5
74.06075	6.2
79.05484	13.0
81.03423	48.7
81.07058	17.9
82.06582	8.7
83.04974	32.9
83.08615	5.2
84.04494	12.5
84.08122	21.6
85.02896	100.0
86.06049	4.8
86.09689	12.6
87.00835	42.9
87.04458	4.6
91.05474	18.1
93.07036	16.8
94.06557	4.9
95.04965	28.7
95.08585	6.9
97.02885	61.0
98.05998	5.4
99.04469	26.7
105.01867	43.9
105.03388	12.4
105.07027	16.8
107.04931	9.1
107.08572	15.3
108.08064	5.1
109.02876	48.4
109.06498	17.2
109.10156	5.7
111.04443	10.6
112.07603	10.0
112.08697	6.6
115.03919	6.0
116.07072	17.7
117.01904	7.9
117.06970	4.9
118.93513	4.3
119.04926	13.3
119.08574	5.9
120.01135	5.2
120.08118	12.3
121.02856	18.3
121.06479	29.0
121.10122	13.8
124.03994	4.9
124.07591	7.6
127.03918	90.3
128.07079	13.3
129.10207	13.2
132.04419	6.9
133.10136	9.7
133.99364	4.2
135.08051	10.1
136.03973	4.9
136.07571	9.4
137.05992	10.8
138.05522	6.3
138.09126	11.4
139.07526	9.1
140.07120	5.7
145.04945	49.8
145.10130	5.2
147.04364	11.3
151.03893	10.9
154.04927	10.9
154.08627	5.4
159.02895	23.8
159.11670	9.3
162.05421	4.9
163.07481	5.5
163.11200	5.8
164.07072	6.1
167.07054	12.6
167.10577	6.9
175.03874	13.6
176.04099	6.2
176.06947	5.9
177.05548	5.1
177.12761	5.4
178.04970	4.1
179.07336	5.3
187.11227	9.4
193.12230	13.7
204.06964	4.8
205.05225	7.2
205.12280	28.7
207.06549	18.6
208.06808	10.7
213.03795	5.6
222.07967	13.6
223.13249	51.5
231.04980	20.2
240.10844	6.4
240.15901	5.9
241.14374	22.4
258.11215	20.1
326.23364	5.6
344.14850	8.4
470.18460	5.7
474.16171	5.7
506.17480	6.0
506.23111	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	506.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47906	0.1
53.03938	0.3
55.01865	0.2
55.05484	0.2
57.03432	0.3
61.02889	0.1
67.05489	0.2
67.38318	0.1
69.03422	1.5
69.07042	0.2
70.01916	0.5
70.06575	0.4
72.76781	0.1
73.02910	0.3
73.52692	0.1
77.62135	0.1
81.03415	1.4
81.07038	0.2
85.02907	1.3
87.00821	0.6
91.05483	0.2
93.07029	0.3
95.04941	0.2
95.08606	0.3
95.84901	0.1
97.02896	0.7
97.06544	0.1
98.21432	0.2
99.04439	0.6
100.14043	0.1
105.01852	0.2
105.03397	0.1
105.07030	0.2
107.08586	0.1
109.02888	0.9
109.10172	0.2
119.08600	0.2
125.12730	0.1
127.03918	1.4
128.07005	0.1
143.08701	0.2
145.04927	0.4
159.02890	0.2
159.07956	0.1
163.92937	0.1
165.09131	0.3
187.06227	1.1
188.07004	0.2
198.05490	0.6
202.04863	0.2
212.07135	0.2
214.05006	0.4
215.05760	8.6
216.06372	0.3
225.04254	0.2
226.04980	0.7
230.08110	0.6
240.06647	0.2
242.11751	0.2
243.05267	6.1
244.05566	0.2
257.06842	0.1
258.07605	100.0
259.07956	1.5
265.10278	0.1
302.10226	0.2
326.10248	0.3
334.54300	0.1
420.12857	0.4
452.06424	0.1
462.13870	3.0
506.12839	14.5
507.13113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
55.05491	0.1
67.05464	0.1
68.31647	0.1
69.03440	0.5
69.45250	0.8
70.06583	0.2
71.04979	0.1
81.03407	0.6
81.07047	0.3
83.04969	0.1
85.02929	0.7
85.06539	0.1
86.09684	0.1
87.00823	0.3
91.05472	0.1
95.08601	0.2
97.02892	0.3
97.06529	4.3
99.04427	0.1
105.07024	0.2
109.02853	0.3
119.08595	0.2
121.10124	0.1
127.03924	0.4
134.05939	0.1
145.04964	0.2
145.10147	0.1
147.11664	0.1
160.07455	0.1
165.09129	0.1
178.04951	0.1
184.07581	0.2
188.07030	0.4
190.04924	0.1
202.08595	0.2
209.74710	0.1
212.07077	0.8
214.04968	0.6
215.05612	0.2
216.06604	0.4
223.16957	1.3
228.06531	0.2
229.03688	0.4
230.08118	0.1
240.06517	0.7
242.04489	2.4
243.05269	36.9
244.05730	0.7
256.06073	0.2
257.03159	0.4
257.06870	0.6
258.07614	100.0
259.07959	2.2
300.08786	0.1
384.73364	0.1
420.12854	1.7
462.14017	1.4
488.11865	0.3
506.12872	13.8
507.13104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01862	1.8
55.05513	13.1
57.03423	1.2
57.07077	43.5
57.81090	0.8
61.25319	0.8
65.03934	1.4
67.05506	31.9
69.03422	1.2
69.06740	0.9
69.07072	13.2
69.21878	6.3
69.22289	2.2
71.04980	2.0
71.08241	1.8
71.08633	33.9
79.05493	13.3
81.03419	91.5
81.07057	31.2
83.04968	3.3
83.08620	29.5
85.06528	1.7
85.09721	1.4
85.10186	15.6
91.05484	19.2
93.07049	7.7
95.04968	26.4
95.08610	29.0
96.08934	1.1
97.02884	3.6
97.10169	8.3
99.11739	1.0
103.05498	0.9
105.07026	14.1
107.04250	1.2
107.04938	5.8
107.08595	3.7
109.06527	2.5
109.10152	14.7
109.35915	1.1
111.04440	1.2
111.08086	8.4
111.11713	2.2
111.87498	0.7
115.05441	1.7
117.07046	1.6
119.08594	11.1
121.06509	2.8
121.10132	4.7
123.08077	1.3
123.11676	6.1
129.07014	11.0
131.08569	9.7
133.06483	3.3
133.10141	4.7
137.09634	1.4
137.13278	2.3
142.07797	3.0
145.10052	1.0
147.08034	3.3
147.11684	6.4
149.09612	5.1
151.14835	1.5
157.10120	8.9
165.12836	2.0
175.11205	9.8
185.13298	1.0
193.12244	37.7
205.12276	0.9
213.12737	0.9
221.22714	1.4
225.33275	0.8
239.23677	10.3
249.14856	5.9
251.80707	0.8
267.95084	0.8
270.92935	0.8
377.12842	1.3
404.40155	1.0
457.70459	0.9
505.38895	100.0
506.39172	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	505.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03939	4.9
53.69537	0.6
55.01864	2.0
55.05509	14.2
57.03424	2.1
57.07074	46.9
65.03937	2.0
67.05505	37.2
69.03420	1.6
69.07069	12.0
70.21388	2.8
70.21736	0.6
71.04977	2.1
71.08632	36.5
79.05490	17.4
81.03416	100.0
81.07053	33.5
82.03754	0.7
83.04958	4.4
83.08617	32.8
85.06548	1.7
85.10181	19.5
91.05478	20.1
91.06023	1.3
93.07040	10.4
95.04964	24.5
95.08603	35.5
97.02910	2.2
97.06554	1.3
97.10169	11.5
99.08100	1.3
99.11735	1.7
103.05455	0.9
105.07026	14.8
107.04944	5.1
107.08601	6.1
109.06522	3.0
109.10156	18.0
111.04468	1.1
111.08081	9.1
111.11721	0.8
113.13279	0.7
115.05483	1.6
117.07016	1.7
119.04965	1.2
119.08572	11.9
121.06513	2.9
121.10149	7.2
122.67385	0.7
123.04401	1.4
123.08074	2.4
123.11686	7.0
125.09635	2.5
125.13284	1.4
126.60938	0.7
128.06218	0.9
129.07025	10.3
131.08586	8.2
133.06470	4.2
133.10139	5.0
135.11699	2.0
137.09616	1.7
137.13271	2.8
142.07799	2.8
145.10158	2.5
147.07076	0.7
147.08037	3.7
147.11674	7.4
149.09595	4.0
149.13300	1.0
151.14836	1.0
157.10123	11.0
161.13275	0.7
165.12762	2.1
165.16458	0.9
175.11185	9.2
176.11595	0.8
179.14423	1.0
185.13303	1.1
189.11240	1.7
193.12236	55.3
194.12665	1.1
195.00282	1.2
213.12798	1.3
215.53229	0.6
221.22667	1.3
227.12979	2.2
229.14316	1.3
231.13857	1.4
239.23697	10.8
249.14911	7.1
259.20526	1.3
277.21631	1.2
333.24371	0.8
505.38962	95.0
506.39420	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3522
Annotation	Sublateriol A
Peak:m/z	Relative Intensity
53.03938	4.7
55.01841	2.5
55.05510	15.6
57.07072	4.3
59.04978	2.5
67.05495	20.5
68.05923	2.2
69.03426	5.1
69.07063	19.4
70.06570	3.1
70.78101	4.9
71.04988	4.9
79.05488	19.3
81.03405	7.5
81.07051	28.1
83.04957	6.4
83.08620	18.4
85.02921	3.8
85.06497	4.9
91.05448	17.2
93.07037	34.9
95.04956	8.1
95.08607	39.3
97.02899	3.1
97.06513	4.8
97.10162	7.2
99.04457	24.2
99.08067	7.9
103.05469	3.9
105.07013	31.5
107.04946	4.8
107.08586	53.9
109.02869	4.4
109.06504	6.7
109.09478	3.0
109.10153	39.5
110.10488	2.6
111.08073	16.2
113.05998	2.3
113.09627	7.9
117.06999	6.1
119.08569	57.2
121.06488	7.1
121.10136	36.2
123.08061	8.4
123.11707	16.9
125.09615	18.5
127.07507	2.8
127.11105	2.2
128.06233	2.2
129.06993	2.3
131.08569	10.7
133.06487	4.2
133.09116	4.3
133.10117	72.6
135.08017	5.8
135.11703	18.6
137.05905	3.5
137.09598	8.4
137.13272	13.6
139.07501	3.8
139.11162	2.2
141.09062	3.4
142.07751	4.4
143.08507	7.0
145.10114	18.8
147.08011	3.6
147.11679	48.6
149.09630	11.5
149.13216	10.4
151.07486	4.7
151.11154	6.9
151.14862	2.2
153.09094	21.8
155.08539	2.4
155.10652	26.0
157.10165	14.8
157.12213	9.8
159.08022	4.0
159.11679	19.9
160.87405	2.4
161.09634	8.2
161.13287	9.9
163.11183	8.7
163.14783	4.4
165.09119	24.7
165.12720	7.7
167.10675	2.6
169.08604	3.6
169.10066	3.2
171.11684	11.0
173.09592	6.4
173.13251	14.7
175.07521	2.8
175.11168	39.0
175.14786	8.2
177.09059	3.0
177.12741	5.5
179.10640	3.1
179.14313	5.9
183.11610	4.5
185.09673	2.8
185.13216	6.7
187.11028	3.8
187.14809	10.0
189.09068	4.6
189.12695	7.7
189.16396	4.8
191.14183	3.3
193.04947	3.2
193.10587	1.8
193.12245	13.5
193.15923	3.1
197.13251	3.8
197.15286	2.6
199.11157	2.9
199.14828	5.6
201.12840	3.0
201.16367	2.7
203.14322	4.6
205.12251	4.6
207.13777	4.4
209.13295	3.2
211.14871	2.5
213.12575	3.3
213.16335	4.3
215.14281	5.1
217.15862	3.4
223.14838	2.7
225.11176	3.5
225.16444	4.3
227.17938	3.3
229.15971	5.0
231.17534	2.9
233.15254	2.7
235.16864	3.9
242.08096	10.6
243.08366	13.7
243.17427	3.3
243.21005	3.4
253.19553	2.5
257.15335	2.3
258.07498	3.4
259.16840	3.3
267.20950	2.7
271.20493	10.5
281.18732	2.5
281.22580	3.5
285.22086	7.5
287.07895	3.2
299.23679	10.0
303.23169	7.4
309.22159	11.8
317.24771	15.1
319.26218	2.6
327.23178	34.1
345.24216	100.0
363.25119	13.4
365.23270	6.0
395.29990	2.6
413.12741	2.4
423.32666	5.1
427.31949	3.1
436.85623	2.2
441.33786	4.8
445.33179	5.6
451.31934	9.4
469.26715	2.7
469.33154	38.5
470.33765	2.3
487.34317	30.4
505.16760	7.6
505.34552	6.0
506.17340	3.4
506.23990	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.5
55.01863	8.2
55.05504	12.3
57.03436	4.4
57.07070	6.7
59.05014	2.7
65.87761	2.2
67.05511	25.5
67.12900	2.7
69.03422	17.4
69.07069	34.5
70.06584	8.2
71.04985	13.9
73.02946	3.7
79.05493	14.1
81.03407	14.0
81.07053	78.1
83.04987	4.7
83.08625	10.9
85.02904	36.7
85.06541	32.3
86.09666	4.2
87.00820	10.0
91.05443	16.5
93.07033	40.2
95.04967	6.3
95.08601	59.4
97.02895	11.2
97.06528	16.5
97.10139	5.2
99.04434	7.6
99.08086	5.5
105.01887	7.4
105.07027	35.0
105.81506	2.6
107.04957	5.3
107.08591	57.7
109.02884	9.9
109.06519	8.0
109.10148	49.9
111.08081	26.8
113.96426	2.8
115.95293	2.4
116.10745	3.0
117.06984	4.1
119.04915	4.9
119.08577	29.7
120.32584	2.4
121.06551	3.2
121.10136	44.7
123.08088	5.9
123.11698	54.3
124.07624	3.8
125.09650	4.8
127.03925	17.8
128.07083	3.3
131.08569	7.0
133.10132	24.9
135.08096	2.9
135.11694	33.2
137.05974	4.6
137.13300	6.2
139.11205	11.0
143.08554	5.0
145.04924	5.5
145.10129	8.5
147.04439	4.4
147.11679	20.8
149.13255	21.9
151.11192	10.7
153.12709	4.7
157.10161	5.8
159.11667	7.7
161.13237	9.4
163.14824	15.2
165.12769	9.6
165.16364	2.8
167.14299	3.5
171.04633	3.1
171.11652	3.1
173.13316	4.8
175.04057	2.9
175.14815	9.8
177.05576	3.0
177.12819	2.9
177.16405	5.4
181.04852	3.9
181.12218	4.0
186.79671	2.5
189.16331	4.8
191.17928	41.1
199.14867	3.6
203.17947	21.0
207.17299	3.0
209.19025	25.3
213.16388	2.7
215.17950	3.6
221.19006	22.3
227.20047	37.9
239.16394	2.9
239.20010	23.3
257.21109	100.0
257.23883	4.8
258.21432	3.2
261.36108	3.1
271.24164	6.6
277.25409	4.1
286.89697	2.7
289.25113	14.3
292.11569	3.3
307.26297	47.9
325.27289	4.7
327.11234	3.0
343.10013	12.2
474.18658	5.1
505.16473	7.3
508.93967	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	505.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.5
55.01867	7.2
55.05510	17.0
57.03431	5.9
57.07077	7.9
65.03943	3.0
67.05509	33.0
69.03445	16.9
69.07070	43.3
69.17979	19.9
69.18404	9.7
70.06591	14.3
71.04987	12.2
72.08151	6.1
73.02883	3.1
74.25429	2.6
79.05495	19.7
81.03400	11.9
81.06593	5.4
81.07055	100.0
81.35822	2.6
83.04964	10.5
83.08598	8.3
84.08155	4.0
85.02908	18.6
85.06557	12.8
86.09734	6.5
87.00806	3.9
91.05465	18.0
93.07051	48.9
95.04964	11.5
95.08005	3.3
95.08608	65.0
97.02885	6.9
97.06535	16.3
97.10153	7.0
99.04444	8.8
99.08060	5.4
105.03395	4.9
105.07029	31.0
107.04935	6.0
107.08600	45.6
109.02872	6.6
109.06531	13.7
109.10155	37.1
111.08087	32.1
111.11705	5.9
113.06030	2.6
116.10771	4.3
117.06979	4.1
119.04938	7.2
119.08580	29.9
120.08105	3.9
121.06482	6.7
121.10136	34.4
123.08044	6.4
123.11704	74.8
125.05956	2.5
125.09636	8.2
127.03895	11.6
128.07126	3.1
131.08580	9.1
133.10136	24.3
135.08038	4.0
135.11694	20.0
136.07521	3.8
137.05974	7.7
137.09625	4.2
137.13232	9.0
139.11165	11.4
142.33304	2.6
145.04962	5.4
145.10133	14.8
147.04453	6.9
147.11722	21.8
149.09650	5.6
149.13264	11.4
151.03873	5.2
151.11205	21.2
153.12790	5.9
157.10149	6.5
159.08000	4.3
159.11710	8.9
161.13251	8.0
162.05505	3.2
163.03903	5.2
163.11183	4.3
163.14822	11.2
164.04248	2.7
167.07066	3.7
169.12291	6.0
173.13208	4.1
175.03865	4.7
175.14842	7.8
177.16438	6.2
179.07010	5.0
179.14333	4.5
180.07382	3.2
181.04939	2.5
189.16418	9.2
191.17999	4.7
193.15863	3.8
201.16351	4.6
203.17957	7.9
205.12340	3.4
207.06496	6.8
207.17348	4.7
215.18016	4.0
239.16455	2.9
239.19974	4.2
242.66699	2.7
245.22729	4.1
257.21191	4.8
271.05981	6.1
271.24179	7.5
277.25299	7.5
283.05881	3.8
289.25299	26.8
307.26312	77.5
308.26810	2.8
325.27237	6.6
326.06726	4.6
337.41196	2.8
337.62387	2.5
341.11108	2.9
342.09650	3.3
343.10291	5.0
343.23050	5.2
505.16348	11.5
506.17444	3.5
529.20880	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	505.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	13.2
57.07077	28.5
67.05516	23.5
69.07059	9.6
69.32661	34.0
71.08624	21.1
71.92908	3.3
79.05475	13.2
81.03423	49.8
81.07046	21.8
83.08614	16.4
85.10203	6.3
86.52005	3.7
91.05477	17.0
93.07030	14.3
95.04965	12.4
95.08602	23.4
97.10183	6.3
98.20689	3.4
105.07012	11.3
107.08587	3.9
109.10172	17.3
109.47708	3.4
117.06969	3.7
117.59276	3.8
119.08591	13.0
121.10146	5.9
123.11726	3.8
129.06999	4.1
131.08615	7.1
131.19804	3.1
133.10112	8.6
147.08064	4.1
147.11673	5.7
149.09634	4.5
157.10161	6.9
157.11960	3.6
159.11552	3.6
159.60675	4.0
175.03822	4.3
175.11171	7.9
176.47015	3.7
193.12239	21.6
239.23576	9.8
249.14810	4.2
353.13431	4.2
369.11023	23.1
383.22256	3.6
395.95953	4.3
505.23480	100.0
505.32620	6.6
505.39102	56.1
514.83472	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49087	1.3
53.03943	2.0
55.05506	5.2
57.07081	12.4
61.58952	1.3
65.03917	1.9
67.05505	14.3
67.57439	1.4
69.07058	6.2
69.63348	10.3
71.08646	9.7
78.50030	1.4
79.05505	5.2
79.91888	1.4
81.03418	26.9
81.07060	11.0
83.04991	1.9
83.08630	9.3
85.10168	5.7
91.05496	8.8
93.07055	5.2
95.04975	7.2
95.08624	12.0
97.02849	1.6
97.10159	3.0
99.08035	1.4
105.07066	8.1
105.18351	1.5
107.04961	2.9
107.08577	2.9
109.06516	2.0
109.10182	7.3
109.62602	1.4
111.08051	3.1
119.08596	6.1
121.10114	2.5
123.11710	3.3
129.07034	3.0
131.08595	4.1
133.10161	3.1
137.13289	2.3
147.08084	1.9
147.11739	2.6
157.10124	2.8
162.53087	1.5
175.11246	1.7
193.12253	14.7
220.89397	1.4
239.23790	3.9
369.11246	7.6
399.85849	1.6
415.86572	1.7
428.92023	1.3
505.23541	100.0
505.38998	32.7
506.23792	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46995	1.1
53.03942	5.6
55.01876	4.9
55.05510	5.5
56.96551	1.6
57.03445	1.8
57.07064	1.8
59.05013	1.4
61.02926	3.6
61.95570	1.4
65.03960	2.1
67.05505	12.0
68.99798	4.4
69.03437	16.8
69.07073	12.6
71.04986	2.9
71.53345	1.6
73.02904	2.3
76.27532	1.2
77.03934	6.6
79.05481	11.9
81.03427	24.7
81.07065	17.0
83.04993	4.7
83.08624	2.6
85.02919	15.1
85.06503	2.1
86.09697	1.6
87.00825	5.9
91.05466	15.8
93.07038	9.5
95.04979	12.1
95.08605	17.6
97.02897	11.5
97.06546	1.8
97.69614	1.3
99.04459	3.4
103.03960	3.0
103.05511	2.0
105.03397	3.0
105.07029	13.2
105.07624	1.5
107.04954	13.1
107.08636	7.5
108.30043	1.3
109.02874	21.3
109.03490	1.6
109.06514	2.9
109.10158	15.9
111.04454	3.2
115.03934	2.2
115.05459	1.7
117.07011	4.3
119.04980	2.5
119.08614	8.4
121.02828	1.5
121.06497	7.6
121.10155	8.2
123.04459	4.3
123.07278	1.4
123.08092	4.5
123.11731	8.1
127.03917	12.9
128.06244	2.0
129.01875	3.8
129.07005	3.7
131.04951	2.2
131.08598	7.3
133.02863	40.7
133.03819	2.8
133.06485	14.6
133.10092	8.1
135.04420	30.0
135.08067	3.3
135.11699	4.7
137.06012	2.6
143.08601	3.8
144.05667	1.6
145.04958	2.2
145.06512	9.5
145.10097	8.2
147.02983	1.6
147.04436	9.9
147.08047	12.6
147.11696	4.3
149.06027	8.9
149.09663	2.3
149.13268	1.9
151.03911	100.0
155.08574	2.0
157.06493	2.1
157.10199	2.3
158.07344	4.2
159.04475	2.2
159.08037	12.5
159.11716	3.0
161.06056	6.0
161.09662	6.2
163.03900	2.7
163.07581	2.2
165.05551	6.9
165.06802	1.4
165.09154	4.4
165.12784	1.3
171.08102	4.0
171.11707	2.6
173.06012	3.0
173.09642	8.8
175.03972	5.4
175.07510	7.2
175.11259	3.8
177.05466	3.6
177.09151	3.3
177.12794	2.0
179.08676	1.7
183.08060	3.0
185.09718	3.2
187.07597	5.3
187.11195	1.8
189.09094	22.7
191.07013	9.3
193.08675	2.3
197.09665	2.7
199.07616	5.8
199.11221	2.1
201.09137	21.0
201.12834	2.0
203.06998	2.3
209.09679	2.7
213.09158	2.1
213.12772	2.6
215.10733	2.3
215.14381	5.8
219.10188	2.6
227.14471	1.7
229.12386	1.7
230.30908	1.3
231.13745	1.8
239.10945	1.8
241.12387	2.6
241.16048	1.5
255.13857	7.2
257.15372	53.5
259.13327	2.5
269.15369	2.8
273.14740	2.0
275.16495	2.3
281.15405	1.6
285.14948	3.9
297.14893	6.5
299.16556	4.0
300.09277	1.7
313.14621	1.8
315.16022	8.3
317.17563	2.6
323.16434	2.6
327.15958	3.2
333.17075	2.6
337.18057	2.4
341.17578	2.1
345.17084	3.4
347.16345	3.9
350.12616	3.8
350.63159	5.0
365.17517	19.4
370.64294	1.7
383.18625	14.1
401.19479	7.5
419.20590	1.5
443.20496	6.9
469.18686	5.7
484.60117	1.5
487.19687	18.7
487.34357	1.9
505.20749	68.1
506.21362	2.0
523.21783	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	505.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05506	2.0
57.28141	1.0
57.72559	1.0
67.05496	2.0
69.03435	6.2
69.07066	1.2
70.06593	7.9
71.05009	1.4
72.08144	3.5
75.93857	1.0
79.05479	1.3
81.03407	5.8
81.07049	2.4
83.04976	2.3
84.08148	2.7
85.02911	5.9
85.06518	1.3
86.09712	2.8
86.30054	1.2
91.05482	24.7
93.07039	1.4
95.04975	4.5
95.08603	2.7
97.02905	3.0
99.04461	2.3
101.06010	1.5
103.05463	1.7
105.07021	1.5
107.04996	1.2
107.08593	2.3
109.02883	4.5
109.06452	1.1
111.08071	1.7
113.05988	1.5
115.03819	1.2
116.07101	1.2
119.04943	35.1
119.08578	3.1
119.57872	1.0
120.08095	1.0
127.03915	3.9
130.04150	1.0
132.02081	1.7
133.10132	3.9
137.06044	2.0
142.86578	1.0
145.02942	1.6
145.04994	1.9
147.04422	28.5
149.02415	1.4
151.03900	1.3
151.11156	1.0
157.03972	2.2
163.03853	1.4
166.07307	2.8
167.07140	1.3
168.06642	1.0
168.37180	1.1
175.03903	48.9
175.14818	3.5
176.04640	2.0
177.05292	2.4
179.07022	2.9
181.04936	1.0
190.20515	0.9
206.05809	1.7
207.06526	100.0
208.06897	1.9
224.06749	1.4
225.07399	1.9
319.39169	1.2
325.13077	1.3
366.91693	1.3
369.11844	5.6
445.16006	1.3
473.16141	2.3
487.19159	2.2
505.11063	1.5
505.17749	3.9
505.23465	2.5
505.34409	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.8
57.07060	5.8
60.43401	3.0
61.16954	3.0
64.99667	3.1
67.05500	21.1
69.07060	7.2
69.70573	3.2
69.74772	17.8
75.85670	3.9
77.12343	3.8
81.03410	5.0
81.07066	7.6
85.06533	8.4
91.05461	8.1
95.08598	3.9
105.07082	4.0
114.85309	4.3
117.43201	3.6
131.04955	7.7
147.04390	12.3
155.58969	3.5
159.04434	7.1
163.03877	4.6
175.03903	100.0
177.05463	10.4
187.03888	28.5
189.05527	12.1
199.03928	6.5
203.03325	4.1
203.06990	4.9
226.06245	4.4
229.08580	27.6
231.10143	4.6
241.08662	28.8
243.10048	22.4
245.08167	6.1
247.09673	54.3
255.10072	6.7
259.09680	7.1
295.13287	12.2
313.14316	38.8
331.15240	12.9
346.73489	3.9
504.32855	5.3
505.23593	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	505.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
53.47013	1.0
54.45223	0.9
54.47884	0.9
55.01871	1.8
55.05511	2.7
57.03424	1.1
58.66933	0.9
61.02903	1.0
67.05505	2.2
67.32851	0.9
69.03427	4.6
69.07060	4.8
70.06593	7.5
70.67883	2.5
70.68224	1.5
71.04987	1.5
72.08157	2.2
79.05479	3.3
81.03414	3.9
81.07057	9.4
83.04964	1.7
84.04528	1.6
84.08138	2.2
85.02908	6.6
85.06544	3.5
86.09711	3.6
91.05482	23.4
93.07056	5.9
95.04951	2.3
95.08628	5.6
97.02892	3.1
97.06514	2.4
99.04458	2.1
99.08072	1.4
105.01881	1.2
105.03393	1.9
105.07024	4.1
107.04955	1.6
107.08588	4.5
109.02887	2.0
109.10138	5.4
110.07140	3.4
111.08099	7.0
119.04111	2.3
119.04937	28.7
119.08591	4.3
120.08181	1.4
121.02874	1.6
121.06514	1.6
121.10142	4.0
123.08097	1.3
123.11692	6.0
125.09624	1.7
127.03915	4.3
128.07069	1.7
128.81590	1.1
131.08537	1.5
133.10156	2.0
135.11749	1.4
137.05939	1.7
138.09064	1.1
145.02863	1.3
145.10107	1.9
147.04416	28.0
147.05544	2.2
147.11684	1.1
149.02455	1.1
149.06055	1.6
149.13321	1.7
151.11234	1.8
153.09210	1.2
157.03972	2.2
159.11775	1.1
161.09590	1.5
162.05507	1.4
163.03824	1.4
163.14832	1.2
166.05147	1.2
169.12270	1.4
175.03903	50.3
175.14888	1.4
177.05359	1.8
179.07037	2.7
181.05005	1.3
203.17931	1.4
207.06525	100.0
208.06697	1.2
221.18860	1.3
257.12927	1.1
289.25351	1.4
294.44308	1.0
307.26328	4.4
347.07211	1.0
351.10736	1.5
369.11703	4.9
506.24631	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.8
53.03945	13.4
53.93540	0.4
55.01859	1.8
55.05497	1.3
60.79245	0.4
65.03949	0.6
67.05502	10.0
69.07065	13.2
69.29510	4.0
71.05016	0.5
72.08141	0.9
77.03951	1.1
79.05488	4.9
79.68618	0.4
81.03415	41.6
81.06586	0.8
81.07053	10.4
83.04978	5.0
84.08136	1.6
91.05470	2.5
93.07031	2.2
95.04372	0.8
95.04965	13.5
95.08607	1.1
104.04925	0.4
105.03387	86.7
105.07008	3.2
106.03736	0.8
107.08575	1.6
107.32496	0.4
109.06506	1.8
109.10145	1.4
110.09665	0.7
110.10454	0.5
112.11227	2.4
118.06532	0.4
118.10471	0.4
122.06015	0.6
123.08053	0.7
123.11670	0.8
131.08574	0.4
131.57898	0.4
133.10120	1.6
134.06017	7.1
151.11171	12.7
153.99930	0.4
155.11784	0.7
161.10745	11.9
162.09134	100.0
163.09474	1.3
170.25456	0.4
175.12302	5.2
176.10707	8.4
176.12120	0.8
177.55948	0.4
207.18611	0.5
208.16992	1.2
231.15070	0.8
233.16476	53.0
234.16695	1.2
279.24316	0.6
336.20688	62.6
337.21094	2.7
354.21744	31.5
355.21909	0.9
382.28442	7.2
383.26855	3.2
387.06381	0.4
504.32263	9.8
505.25058	0.8
505.32498	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.0
55.01860	4.9
55.05515	9.0
57.07072	5.7
67.05488	18.4
68.37669	5.6
69.03413	16.8
69.07058	15.0
70.06571	5.4
70.12890	26.4
70.59170	5.3
71.04976	13.8
79.05481	19.1
81.03417	8.8
81.07056	73.9
83.08601	12.5
85.02907	30.7
87.00814	13.4
91.05485	18.7
93.07035	26.5
95.04962	7.2
95.08585	24.8
97.02872	8.5
105.01862	11.1
105.07024	26.0
107.08604	39.5
109.02841	10.2
109.06431	7.7
109.10133	23.5
115.05370	5.5
117.98543	5.0
119.08578	38.6
121.10139	12.9
123.08036	10.1
123.11655	15.0
125.09566	10.6
127.03907	12.5
129.07004	6.6
131.08536	16.1
133.10083	19.1
135.11681	47.1
137.06032	5.8
142.07750	9.1
145.10112	20.2
146.10435	7.3
146.59004	5.4
147.11699	27.3
148.12119	6.4
149.13278	7.7
151.11122	7.5
157.10107	12.4
161.13287	10.6
163.14728	5.8
173.13187	8.6
183.08092	5.8
185.09578	9.6
191.89543	5.6
199.11157	6.5
201.04126	7.6
203.18044	34.4
221.18929	22.2
229.03664	7.9
242.08141	19.0
244.06082	76.4
245.06242	9.4
253.07237	7.1
254.08167	8.0
270.07581	5.8
272.05499	46.7
273.06149	17.7
274.06839	7.1
296.09213	7.4
297.09705	9.1
340.23508	12.6
382.43329	6.0
384.25943	12.8
444.28067	19.2
486.15445	24.4
487.16214	12.8
504.16559	100.0
505.16708	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	504.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57721	1.8
53.03949	2.4
55.05505	2.6
63.10710	2.0
67.05480	6.3
69.03419	4.1
69.07070	5.0
69.72227	9.4
69.72652	4.5
70.06588	2.8
79.05500	3.2
81.03421	6.0
81.07049	15.1
85.02909	13.0
87.00816	5.6
91.05488	6.1
93.07047	9.8
95.08614	40.2
97.02897	10.3
99.95759	2.0
105.01865	16.2
105.07034	28.4
107.08588	8.2
109.02893	3.8
109.10181	9.9
110.22257	1.9
119.08582	43.2
119.09378	3.5
120.89389	2.0
121.10146	6.7
123.11726	3.0
126.35171	2.0
127.03916	11.8
131.08534	2.2
133.10147	16.4
135.11682	3.1
145.04976	4.8
145.10063	2.7
147.11694	35.9
159.02919	2.5
161.13277	9.1
163.14845	5.0
175.14839	3.2
188.00743	2.3
203.17953	100.0
221.19044	8.9
231.04938	4.6
249.05998	2.1
284.68408	2.2
368.26236	2.9
504.33221	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	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.5
55.01867	9.3
55.05515	12.9
57.03428	7.2
57.07060	3.3
59.04988	3.0
61.02922	3.9
65.03944	3.7
67.05513	26.9
68.99787	3.3
69.03432	33.1
69.07073	15.9
70.86721	2.8
71.04990	6.1
72.08155	3.1
72.38192	2.6
73.02914	6.7
73.24517	2.9
79.05499	23.5
81.03425	34.2
81.07063	57.3
83.04978	4.4
83.08629	9.2
85.02443	4.7
85.02914	64.1
87.00842	28.1
91.04004	3.3
91.05485	24.8
93.07043	55.9
95.04980	7.6
95.08616	72.9
97.02905	32.2
97.06527	6.7
97.10129	3.8
99.04459	11.6
101.96437	2.9
105.01865	27.2
105.07041	70.7
107.08600	67.5
109.02888	34.9
109.06520	5.9
109.10166	55.6
117.01862	6.2
117.07050	4.5
119.08589	44.1
121.06539	3.0
121.10151	27.7
123.11732	13.0
127.03928	53.2
128.06270	3.8
129.01843	3.7
129.07040	5.4
131.08588	4.4
133.10126	34.5
135.11681	22.5
137.05986	3.5
143.08557	4.3
145.04991	24.6
145.10143	6.4
147.02870	5.2
147.11700	48.3
159.02898	17.0
159.08063	5.6
161.13287	16.4
163.14848	10.1
169.10201	3.2
170.05991	4.2
173.09615	3.5
175.14821	10.0
177.09178	3.1
197.09665	4.3
199.11258	5.3
200.06975	3.1
201.09071	3.3
203.17979	100.0
204.18202	3.4
209.09668	3.2
221.19020	8.0
226.05098	7.0
227.10712	4.4
229.32442	3.2
231.05051	10.6
242.08095	14.2
249.06175	3.6
254.08138	24.0
255.08743	3.6
260.03848	5.7
261.04086	4.0
267.87070	3.1
276.10284	5.7
294.11142	10.4
317.03220	4.5
322.10767	6.1
414.10101	5.1
415.10263	20.7
417.12732	3.5
418.14227	8.4
420.12344	5.1
436.15488	13.7
450.17062	37.4
468.18439	14.3
486.19247	6.9
504.15042	13.6
505.15854	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	504.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93549	3.6
51.50431	4.0
55.01861	5.0
55.05485	4.0
57.07088	5.6
65.03923	5.9
67.05490	15.9
69.03419	6.0
69.07063	8.2
69.66318	20.7
70.06577	13.1
79.05498	5.9
81.07043	5.6
83.04972	7.2
85.02897	6.9
85.06532	26.3
86.06094	6.9
93.07047	4.1
97.02892	5.8
105.03400	12.7
109.02865	7.8
116.10693	6.4
119.08533	5.9
127.03909	8.3
128.07100	12.7
131.04901	5.7
135.04362	4.7
147.04391	10.3
147.70554	3.7
159.04405	9.1
162.05493	17.1
163.03917	56.9
175.03885	16.1
187.03876	11.7
187.07565	33.4
191.03441	6.6
201.09067	15.5
203.03375	17.1
203.06976	5.4
205.04945	67.5
205.06764	6.5
207.06618	9.0
211.07568	5.2
221.08138	6.1
229.08630	39.0
233.04460	57.4
239.12877	3.9
243.10056	7.6
247.09673	5.8
271.09598	27.7
289.10712	100.0
307.11752	9.6
457.12778	4.0
529.24243	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.01863	7.3
55.05502	8.7
57.03423	3.3
57.07064	2.7
58.02821	2.4
61.02925	3.3
63.34250	2.2
65.48976	2.6
67.05501	18.5
67.53911	2.1
68.99777	2.6
69.03436	20.9
69.07076	18.5
70.06588	10.3
71.04981	6.7
72.08143	2.9
73.02931	2.8
79.05501	12.2
81.03431	16.5
81.07061	47.3
81.23547	2.3
82.07366	3.8
83.04988	3.2
83.08603	7.4
84.04507	3.3
84.08137	6.0
85.02911	40.7
86.09688	3.7
87.00818	12.5
88.03990	3.5
89.07957	2.2
91.05471	17.7
93.07045	32.4
95.04982	6.1
95.08606	40.9
97.02886	21.2
97.06519	7.6
97.10168	3.5
99.04459	6.8
104.03473	4.0
104.56611	2.4
105.01878	14.5
105.03378	6.9
105.07021	37.7
107.04955	6.8
107.08592	33.7
108.04438	2.7
108.05207	3.0
108.08949	2.6
109.02889	12.1
109.06474	2.6
109.10155	30.7
110.10487	3.2
111.08080	8.2
114.99423	2.4
115.03882	2.5
116.23508	2.7
119.08578	31.6
120.08106	4.1
120.08914	3.3
121.02901	4.0
121.06503	8.6
121.10151	22.4
123.11698	10.3
125.09584	2.7
127.03923	31.5
128.04272	2.5
129.01888	4.2
131.08556	4.6
133.10106	24.8
135.08060	2.8
135.11682	13.0
137.05975	9.8
137.13266	2.5
137.94737	2.3
141.01808	3.7
143.08620	4.0
145.04951	11.6
145.10127	5.9
146.10616	2.6
147.04349	3.3
147.11682	44.7
149.13261	6.9
151.03938	4.6
153.09129	2.7
157.10156	3.2
159.02859	6.1
159.11717	4.0
160.12120	2.6
161.13274	11.2
163.03914	3.0
163.14763	8.9
165.01842	22.1
166.02176	9.9
167.06984	4.0
174.13705	2.6
175.04048	2.7
175.14764	5.6
177.05490	4.3
180.06592	5.9
183.02907	27.1
184.03249	13.6
201.16260	2.7
203.17961	100.0
205.19426	3.5
219.17323	2.6
221.19022	10.6
231.05040	7.4
257.15375	3.6
258.07538	5.0
260.03751	7.7
261.04028	8.1
270.07565	3.8
271.04736	3.0
284.09473	3.5
285.07547	10.1
286.07883	20.5
289.03394	3.8
291.05179	5.5
317.03012	6.9
318.04016	2.9
319.04745	5.1
341.13809	4.2
342.13828	13.9
414.09967	9.2
415.10379	40.9
416.10638	5.8
417.11975	8.3
448.13022	3.6
486.17102	2.5
504.14734	26.0
504.31046	4.0
505.13681	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	503.301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40787	1.4
53.03940	4.0
55.05489	1.7
57.07076	1.5
59.50890	1.3
65.50508	1.2
66.02435	1.4
67.05495	2.6
69.03432	1.9
69.07053	1.5
70.06597	3.1
70.25205	2.3
70.25627	3.9
79.05488	3.0
81.03408	1.9
81.07040	4.1
84.08130	4.6
91.05431	2.6
93.07057	3.2
95.04960	5.6
95.08589	2.9
98.09838	1.4
105.03393	100.0
105.07007	3.1
106.03732	1.9
107.08588	1.6
109.10159	2.8
109.82116	1.5
112.11238	2.7
119.08580	2.5
121.10141	1.5
122.06037	1.5
127.03893	1.5
131.08562	1.7
133.10106	2.5
134.06032	6.2
137.09654	1.6
145.10114	2.4
147.11682	1.5
157.10089	1.4
159.11662	2.2
161.10742	17.2
162.09145	78.4
163.09467	1.3
167.05573	4.0
175.12350	2.3
176.10710	10.1
185.09795	1.5
233.16508	28.6
235.40979	1.4
250.73451	1.3
299.06119	3.2
336.20709	42.1
337.18817	2.3
414.09836	2.9
442.09769	1.3
458.24396	28.9
503.13699	1.8
503.33234	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3367
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
55.05508	24.0
57.07088	8.7
59.04995	5.8
67.05510	72.3
69.03420	11.6
69.07060	30.8
70.76464	8.1
70.76826	14.2
71.04988	9.6
75.31868	5.6
79.05506	26.5
81.07053	50.0
83.04993	9.7
83.08620	12.4
85.06512	12.1
89.60478	4.7
91.05441	34.2
91.51858	4.4
93.07060	52.0
95.04974	17.1
95.08598	70.9
97.02882	8.5
97.06536	13.1
97.10155	5.5
99.04457	21.4
99.08125	12.8
104.02276	4.7
105.03404	12.3
105.07041	50.4
107.04946	5.8
107.08586	66.4
109.06481	9.2
109.10157	73.2
111.08092	31.3
111.12685	5.7
113.09650	26.7
117.07012	16.3
119.08589	100.0
121.06508	12.8
121.10148	72.2
123.08064	31.7
123.11699	24.9
125.09625	10.3
129.07066	6.9
131.08575	23.9
132.66656	4.8
133.06514	7.7
133.10143	90.5
135.08028	12.9
135.11717	28.7
137.09621	16.1
137.13251	12.4
139.07558	13.1
141.09088	19.1
143.08537	13.0
145.06554	5.3
145.10121	36.5
147.08073	12.3
147.11674	47.8
149.09641	23.1
149.13269	12.3
151.11209	6.6
153.09111	19.6
155.10699	19.5
157.10156	19.3
157.12233	6.4
159.08041	7.9
159.11694	29.2
161.09721	8.4
161.13280	26.0
163.11183	17.8
165.09099	20.0
165.12732	13.3
167.05542	10.9
167.10686	10.0
169.10036	7.9
171.11716	21.6
173.09637	5.6
173.11823	10.3
173.13293	26.5
175.11250	27.2
175.14830	20.6
177.12709	10.5
179.10698	8.4
179.14340	5.8
181.12404	5.2
183.11734	8.6
185.13263	15.2
187.11115	9.3
187.14804	17.6
189.12730	28.2
189.16338	12.5
191.14297	12.4
193.12303	12.4
193.15872	12.8
199.14827	16.6
201.12810	12.0
201.16365	8.7
203.14287	11.3
205.15845	6.6
211.14771	7.8
213.16467	13.8
215.14293	14.2
217.15889	14.6
225.16455	9.3
233.15295	7.7
235.16898	9.7
241.19298	5.3
244.06104	9.0
257.18991	10.3
258.03986	5.7
258.07700	7.9
267.21146	10.3
271.20569	16.5
272.05499	8.1
273.06360	20.5
275.19946	8.2
285.19003	5.2
285.22028	13.5
286.06967	9.0
288.08746	20.3
299.06088	7.4
299.23669	14.6
301.21347	6.1
303.23032	12.7
309.22076	14.5
317.24847	12.0
327.23181	47.9
328.11600	6.8
345.24295	84.2
353.24786	6.5
415.12466	9.1
421.31198	8.1
439.32092	66.2
440.32785	6.8
449.30734	9.9
467.31570	25.6
485.32657	99.1
503.18127	18.7
503.33759	22.5
504.16495	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	503.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.0
55.01863	8.5
55.05500	10.5
57.03431	11.0
57.07063	5.1
59.25748	3.2
61.02910	6.7
65.03920	3.1
67.05507	18.5
68.99788	6.4
69.03431	44.9
69.07061	26.1
70.06577	12.1
70.88663	2.9
70.88998	6.3
71.04987	25.1
71.76278	2.8
72.08167	4.0
73.02923	5.5
79.05491	21.7
81.03421	37.6
81.07053	59.2
82.07394	4.1
83.04971	11.3
83.08614	4.5
84.04534	2.7
84.08140	3.1
85.02437	4.9
85.02905	62.8
85.06091	3.9
85.06549	46.1
86.06058	3.3
86.09676	4.0
87.00828	27.9
91.05453	26.6
93.07039	56.1
95.04964	14.7
95.08064	4.8
95.08607	54.7
97.02383	2.9
97.02892	29.9
97.06520	13.6
99.04443	13.9
99.08096	3.4
105.01875	18.9
105.07024	66.3
107.04959	8.2
107.08589	64.7
109.02866	35.2
109.06512	9.2
109.10145	29.5
111.04449	3.3
111.08076	29.6
111.11712	3.3
117.06981	4.5
119.04898	5.2
119.08583	64.5
120.08033	4.5
121.02809	3.5
121.06496	8.4
121.10126	43.4
123.08064	6.7
123.11708	36.7
125.09604	7.0
127.03909	42.0
127.07553	2.9
128.06178	3.3
128.07074	4.0
129.01770	4.0
131.08571	16.7
133.02831	3.5
133.10136	56.3
135.04428	5.4
135.08081	5.5
135.11673	13.5
137.05943	12.2
137.09598	3.7
139.11172	5.6
145.04961	13.4
145.10126	37.5
147.04425	6.4
147.11696	32.8
149.09608	3.4
149.13242	30.5
151.11200	6.7
157.10103	4.1
159.02911	11.9
159.11700	39.9
161.05942	3.5
161.09575	5.4
161.13252	70.3
163.03880	5.9
163.11180	9.0
163.14856	16.9
165.01831	19.6
165.12741	4.6
167.14293	4.9
173.13269	14.1
175.07536	6.1
175.14815	8.9
176.07094	15.6
177.12801	3.3
178.04968	2.7
179.07028	8.1
179.14320	5.7
183.02933	14.8
187.14755	4.0
189.16376	55.8
199.14914	4.0
201.16380	52.8
202.16733	6.1
207.06522	9.0
207.17442	83.4
215.10643	4.3
217.04997	3.2
219.17397	44.5
220.17628	3.4
225.18489	100.0
231.04991	9.0
237.18478	25.2
255.13745	5.3
255.19534	10.6
271.05893	13.4
283.05957	16.1
285.07608	10.4
287.07813	7.9
299.06198	3.7
323.09079	10.1
323.12769	3.8
323.25888	6.4
335.09137	6.6
341.10245	11.5
341.13828	13.3
451.00623	3.0
485.14597	11.2
503.16891	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.5
53.03935	9.0
55.01867	7.2
55.05525	5.6
57.03439	4.1
60.51881	2.4
61.02913	4.8
61.73228	2.2
67.05510	13.8
67.05807	2.4
68.82003	2.5
68.99780	8.4
69.03433	21.2
69.07053	7.2
69.28603	22.3
70.06596	4.2
71.04972	4.7
71.91232	2.7
73.65744	2.3
77.03931	8.2
79.05499	17.2
81.03429	22.3
81.07055	31.1
83.04966	8.0
85.02902	23.8
87.00816	10.4
91.05470	19.4
93.07047	25.9
95.04951	18.1
95.08606	20.4
97.02886	14.6
97.06512	7.9
98.21582	5.3
99.04459	3.6
103.05445	6.9
105.03376	6.4
105.07042	29.5
106.07365	4.5
107.04965	14.7
107.08603	21.0
109.02875	20.4
109.06510	7.1
109.10157	21.1
111.04440	5.2
111.08060	3.8
115.05386	3.9
117.06989	9.4
119.08575	28.0
121.02895	3.1
121.06499	10.8
121.10141	18.6
123.04427	5.6
123.11663	6.4
125.02409	3.0
125.09637	3.6
127.03918	23.9
129.01823	5.9
129.07019	6.6
130.07764	2.8
131.04919	3.1
131.08546	15.4
133.02856	46.1
133.06506	10.2
133.10152	17.6
135.04410	24.5
135.07999	4.4
135.11664	10.4
137.05972	7.0
142.07733	4.9
143.08534	8.2
145.02733	2.4
145.04901	3.5
145.06479	11.6
145.10124	29.5
146.10501	3.5
147.02898	3.7
147.04405	9.7
147.08060	9.5
147.11667	8.1
149.05931	6.9
149.09653	3.4
149.13274	4.4
151.03905	92.6
152.04222	3.0
155.08557	4.3
157.06516	6.5
157.10139	7.8
159.08060	8.2
159.11678	16.6
161.05960	3.4
161.09593	4.9
161.13269	9.2
163.11179	9.2
165.05489	2.7
165.09077	3.8
167.05527	4.7
167.07158	3.3
167.08598	3.2
170.07317	3.6
171.08038	18.9
171.11673	3.2
173.05989	5.9
173.09602	7.6
173.13298	2.5
175.07567	9.6
177.05464	4.3
179.07074	2.8
179.08568	4.6
181.55200	2.6
183.08037	3.5
185.05922	2.9
185.09607	8.7
187.07535	8.9
187.11108	3.0
189.05428	3.6
189.09047	4.1
191.07019	10.2
195.08078	4.3
197.09651	6.4
199.07539	5.4
199.11128	3.4
201.08994	4.0
201.16368	28.2
202.16786	3.1
211.11153	5.2
212.07027	6.8
213.09125	7.7
213.12741	9.2
215.10721	2.5
217.02208	3.3
219.17444	31.4
223.11127	2.6
225.12769	3.1
227.14120	4.8
230.08208	4.2
237.12810	3.2
237.18439	3.9
240.06541	5.2
244.06075	10.0
255.13806	93.7
256.14148	3.7
258.07645	17.1
260.03778	6.0
267.13818	3.8
271.13199	5.3
272.05438	3.6
273.14890	7.4
279.13632	3.4
283.13443	5.1
284.05515	9.9
286.07144	45.5
295.13342	4.9
297.14975	6.2
299.06107	4.1
303.02106	3.4
313.14276	6.5
316.02893	4.5
318.04373	4.0
323.09061	13.3
323.12476	3.1
325.14206	3.0
327.11115	3.5
341.10233	11.6
342.13367	100.0
363.15979	15.8
381.16861	12.4
399.17926	10.5
414.09985	28.6
416.11539	5.8
417.19061	3.5
441.18839	6.3
467.17081	5.2
485.17932	17.6
503.20047	29.8
504.18320	10.1
521.19934	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	503.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.2
55.05500	7.1
56.95896	3.2
57.07122	3.3
59.04994	6.4
61.02926	10.8
66.34818	3.0
67.05221	3.1
67.05511	31.0
69.03424	6.8
69.07068	17.3
70.78921	10.2
71.01349	12.2
71.05006	3.4
74.94794	3.2
79.05510	19.5
81.03426	20.4
81.07056	17.4
83.04962	7.4
91.05461	18.3
93.07043	16.1
95.00769	6.0
95.01335	83.2
95.04971	69.6
95.08596	16.0
97.06541	10.3
103.03954	20.0
103.05489	9.4
105.07039	64.9
107.04944	6.6
107.08611	18.2
109.06538	12.1
109.10143	13.1
111.04436	3.6
111.08090	4.8
117.07027	11.7
119.08597	31.7
121.02901	3.2
121.06479	16.7
121.10137	11.9
123.08075	11.9
125.09586	3.3
128.06235	8.6
129.07001	16.8
131.04929	4.2
131.08575	18.0
131.49147	3.3
133.06488	40.1
133.10162	16.2
135.04453	3.7
135.08069	15.7
135.11678	3.2
137.09642	4.8
141.06944	9.0
142.07748	5.4
143.08585	21.5
145.06499	15.1
145.10100	16.2
147.08087	16.9
147.11746	15.5
149.09642	7.9
151.07555	4.2
153.06944	5.5
154.07767	5.7
155.08574	11.4
157.06503	6.9
157.10101	16.6
159.08055	14.9
159.11693	11.9
161.05986	100.0
161.09619	14.7
161.13258	3.9
162.06357	4.3
163.07559	4.5
165.07002	5.9
165.09102	3.8
167.08594	9.7
169.10130	9.7
171.08098	11.3
171.11693	10.6
173.09621	14.3
173.13219	6.3
175.07570	27.2
175.11201	7.8
177.12711	5.0
179.08554	9.5
181.06624	4.1
181.10112	11.9
182.07217	3.8
183.08081	10.0
183.11626	5.4
185.06029	4.1
185.09683	15.7
185.13188	4.4
186.10330	3.9
187.07552	14.1
187.11191	10.8
187.14853	4.1
189.09148	7.7
189.12749	8.0
193.10149	10.7
195.08109	4.0
195.11781	8.0
197.09627	13.4
199.07529	6.2
199.11174	14.2
199.14954	4.0
201.09137	6.2
201.12769	8.5
203.10683	6.7
205.10176	4.4
206.10854	6.3
207.11746	7.7
209.09625	9.8
209.13324	5.7
211.07556	6.2
211.11229	6.8
211.14784	6.0
213.09137	9.6
215.06929	4.5
215.10703	10.8
217.10281	5.2
217.12189	5.1
219.11758	5.2
220.08902	3.8
221.09615	5.8
221.13330	4.4
222.01430	4.0
222.10445	4.4
223.11121	9.9
225.09142	4.8
225.12712	6.7
227.10667	8.3
233.09665	6.1
234.10414	4.7
235.11197	10.1
237.09157	6.1
237.12779	5.9
239.10725	7.4
239.17947	4.3
241.12303	4.6
245.09525	4.2
246.10333	7.8
247.11203	8.1
249.09282	4.4
249.12619	4.9
251.10570	9.1
251.14410	6.5
253.12239	6.4
255.13809	5.8
259.11243	4.8
261.12680	10.1
263.10632	5.9
263.14447	4.8
265.12149	8.0
267.10413	5.5
267.13593	3.8
271.13416	4.7
275.10825	5.3
277.12204	11.2
279.10516	3.9
279.13770	12.6
281.15421	9.3
289.12091	8.1
291.13815	6.8
291.17081	4.9
295.16879	5.5
296.09344	4.5
303.13776	6.2
305.15250	6.1
309.14856	6.0
319.16946	9.7
321.14899	5.4
321.18594	7.2
323.16537	3.9
325.14374	10.4
331.13138	6.6
333.14795	7.3
335.16415	6.0
337.14377	5.5
337.17874	17.6
339.19522	4.2
347.16428	8.0
349.14185	7.2
351.15875	11.4
355.19061	8.9
365.17538	20.5
383.18503	35.8
389.17743	4.1
391.19009	7.9
409.20517	5.1
416.17227	3.4
421.19785	4.5
423.21677	9.6
439.21143	6.1
441.22659	12.0
443.31668	7.4
457.22174	13.6
467.20581	4.5
503.22943	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	503.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.1
53.03943	9.2
55.01864	5.9
55.05508	7.1
57.03448	4.1
59.32473	1.6
61.02909	5.5
63.40522	1.5
65.03931	2.6
66.93970	1.5
67.05503	14.4
68.99791	7.7
69.03429	26.4
69.07071	9.2
70.99008	3.4
71.01339	2.0
71.04974	3.5
73.02912	2.8
77.03931	10.5
77.98538	1.8
79.05502	16.7
81.03421	28.5
81.07062	19.7
83.04981	8.4
85.02905	20.5
85.06527	1.8
87.00832	13.4
91.05474	32.6
93.07043	19.8
94.51416	1.6
95.04974	17.2
95.08604	15.3
97.02894	14.6
97.06514	5.7
97.10162	2.1
99.04459	4.9
103.03930	4.8
103.05460	4.4
105.01867	3.0
105.03397	9.3
105.07032	27.3
107.04952	12.6
107.08595	16.6
109.02879	38.9
109.06561	8.6
109.10148	15.2
111.04454	4.6
111.08083	2.3
115.03927	4.7
115.05476	4.5
117.07013	8.6
119.04914	4.9
119.08581	18.2
121.02894	1.7
121.06519	13.7
121.10158	17.7
123.04448	6.9
123.08064	4.2
123.11707	6.8
125.05975	3.0
125.09612	2.2
127.03942	15.7
128.06223	4.9
129.01849	5.6
129.07025	9.3
129.80542	1.8
130.16554	1.8
131.04932	3.5
131.08540	13.5
132.05679	2.3
133.02861	54.1
133.06502	12.4
133.10129	15.3
134.03578	2.1
135.04410	23.5
135.08022	4.9
135.11682	7.6
137.05997	5.4
137.09637	3.4
139.07562	1.8
141.06990	5.1
142.07841	3.7
143.08597	8.8
144.05702	4.6
145.05077	2.5
145.06503	15.8
145.10126	16.8
147.03001	2.2
147.04401	16.3
147.08022	17.8
147.11697	5.7
149.05986	12.1
149.09647	3.7
151.03899	100.0
151.07454	2.5
151.11197	2.0
152.04289	2.4
153.01811	1.9
155.08548	2.9
156.09351	1.9
157.06500	8.6
157.10103	6.9
158.07243	2.7
159.08073	13.0
159.09187	2.4
159.11711	7.4
161.05998	5.9
161.09619	12.2
161.13232	2.9
163.03926	2.7
163.07512	3.0
165.05513	7.4
165.06926	3.8
165.09030	1.9
166.07840	2.8
167.07019	4.7
167.08456	3.1
169.10120	4.5
171.08087	15.7
171.11700	3.6
172.08784	3.2
173.05960	16.7
173.09604	23.2
175.03981	8.3
175.07545	11.1
175.11201	4.4
175.14827	1.7
176.04565	1.8
177.05479	4.4
177.12784	1.8
177.95552	1.8
179.08554	3.9
181.05011	1.8
181.06485	3.0
181.10059	2.2
183.08105	3.4
183.11716	2.8
185.06017	4.5
185.09604	11.3
187.07530	11.6
187.11124	4.5
189.05481	7.3
189.09135	7.6
189.12723	1.9
191.03334	1.9
191.07031	39.6
193.04985	2.1
193.10150	1.8
195.08067	3.6
195.11624	3.5
197.05957	1.8
197.09647	8.1
199.07512	9.4
199.11142	4.6
201.08961	3.3
203.06955	2.4
203.08694	2.9
207.06519	3.9
207.89206	1.7
209.09665	2.5
211.07591	5.6
211.11232	6.2
212.11942	3.1
213.03877	3.2
213.09106	6.7
213.12733	6.7
215.07153	2.6
215.10741	11.1
217.04961	3.4
217.08592	3.3
219.06467	1.9
221.09526	1.8
223.07568	2.5
225.12556	2.0
227.10680	5.8
227.14282	3.2
231.10144	2.4
233.11803	2.0
235.11227	1.8
237.12724	3.4
237.18587	4.4
239.10585	2.8
239.14302	2.7
241.08696	4.0
241.12259	1.7
249.12608	1.9
253.12288	5.6
255.13809	61.9
255.19547	3.2
265.12308	3.5
267.13788	7.0
271.13251	4.4
273.14789	2.7
279.13812	2.8
281.11847	2.4
283.13162	8.5
285.14850	7.3
291.13705	3.2
295.13367	4.0
297.14938	11.9
299.06116	3.1
307.13181	2.0
309.14844	5.0
311.07321	3.3
313.14313	4.7
315.15866	2.3
321.11395	2.1
321.14951	4.5
323.09335	9.4
323.12671	3.6
325.14154	3.6
335.16516	4.5
339.15839	3.9
340.11774	3.2
341.12106	8.6
345.14746	4.5
363.15866	24.6
381.16855	17.7
399.17947	11.0
414.09985	2.9
441.19104	5.9
467.16815	7.8
485.17679	12.7
503.19214	30.6
504.19391	2.1
521.20422	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	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19239	1.7
53.03957	10.4
55.01866	3.2
55.05508	5.4
57.03429	3.1
61.02914	2.2
63.60863	2.0
67.05508	12.8
68.99776	5.0
69.03436	18.3
69.07061	8.3
70.03335	8.8
71.04994	3.6
77.03925	9.5
79.05498	17.4
81.03426	25.0
81.07057	19.8
83.04980	2.5
85.02920	21.2
87.00829	6.4
88.02544	2.3
91.05445	16.4
93.07057	15.5
95.04955	12.8
95.08621	20.1
97.02889	12.9
97.06531	6.0
99.04469	4.6
103.03953	3.3
103.05464	4.4
105.03391	6.9
105.07043	25.1
107.04969	11.2
107.08603	23.6
109.02887	21.2
109.06527	4.5
109.10156	19.5
111.04445	4.2
115.05461	3.2
117.07008	7.7
119.04947	2.2
119.08566	24.4
121.06502	10.7
121.10153	16.8
123.04433	5.1
123.11701	6.5
127.03916	13.5
128.06181	3.5
129.01849	6.4
129.07031	4.2
130.07811	2.5
131.08598	10.4
133.02867	45.4
133.06494	9.4
133.10164	16.0
135.04431	29.1
135.08051	4.9
135.11688	6.3
137.05983	7.8
143.08546	4.9
145.06473	8.9
145.10136	21.6
147.02837	2.9
147.04480	10.4
147.08070	12.1
147.11674	6.3
149.05989	7.7
151.03908	96.4
151.05136	4.8
155.08522	4.8
157.06491	8.7
157.10088	6.3
159.04398	2.4
159.08081	9.9
159.11646	10.8
161.05957	6.0
161.09627	7.0
161.13229	4.5
163.07379	2.5
163.11195	9.2
165.05504	5.5
165.07008	4.4
165.09126	4.2
167.08556	2.8
169.10147	5.1
171.08049	16.2
173.05983	7.2
173.09650	5.0
173.13295	3.5
175.03911	6.8
175.07576	4.2
177.05489	3.1
177.12704	2.4
179.08510	2.6
181.06474	3.4
181.37718	2.4
183.08044	5.2
185.09621	9.1
185.13290	2.4
187.07550	6.6
189.05515	5.5
191.07069	8.4
195.07932	3.0
197.09627	5.3
199.07597	7.1
201.09091	2.8
201.16389	23.1
203.06985	4.0
209.09796	2.5
211.11206	4.3
212.12080	2.7
213.09090	7.1
213.12749	9.7
215.10490	2.9
217.08650	3.2
219.17433	28.8
223.11447	2.3
227.14316	6.6
229.08624	3.8
237.12833	3.5
237.18440	4.6
241.12279	4.1
244.05927	2.8
249.12660	2.5
253.12274	2.7
255.13817	100.0
257.11795	7.3
258.07645	8.3
259.13309	2.7
260.03882	4.8
267.13919	2.9
271.13165	5.2
273.15015	14.2
273.17963	2.2
283.13269	6.9
284.05569	4.2
285.14850	4.5
286.07141	15.9
295.13327	7.0
297.15045	11.0
297.17944	2.6
307.13211	3.0
309.14868	3.4
313.14417	8.1
316.02725	4.6
321.14874	3.3
323.09183	8.3
324.12286	4.0
327.11075	2.4
335.16669	3.3
339.15707	3.5
341.10239	9.5
342.13358	33.3
344.97836	2.6
345.14926	4.5
363.16058	18.2
381.17056	14.9
399.18317	15.1
414.09988	14.6
416.11865	4.9
426.37073	2.3
441.19080	6.6
459.51956	2.8
467.16977	7.6
485.18146	17.7
503.19745	36.6
504.19498	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	503.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90789	1.4
51.02390	2.8
53.03946	7.3
55.01860	5.3
55.05510	7.3
57.03423	3.5
57.07070	1.9
59.16774	1.5
61.02915	7.0
61.36011	1.6
65.03929	2.0
67.05511	15.2
68.99781	8.5
69.03082	2.0
69.03428	18.9
69.07079	9.6
70.06606	2.7
71.04986	3.2
71.53751	1.4
73.02911	1.6
77.03936	8.4
79.05491	17.2
81.03416	26.8
81.07056	20.1
83.04984	5.8
84.08149	1.8
84.76536	1.5
85.02902	20.7
85.06522	2.8
87.00824	10.6
91.05479	32.0
93.07037	17.8
95.04967	16.2
95.08603	14.1
97.02888	14.1
97.06517	5.3
97.10142	2.0
99.04457	3.9
103.03918	3.4
103.05444	2.9
103.24376	1.5
105.01847	3.5
105.03386	7.8
105.04485	2.4
105.07030	25.1
107.04944	14.1
107.08606	13.3
109.02873	33.8
109.06508	6.0
109.10149	13.0
111.04432	4.2
111.08102	1.6
115.03925	3.7
115.05449	4.9
117.07022	8.6
119.04945	6.3
119.08572	17.7
121.02847	4.4
121.06490	11.6
121.10157	14.2
123.04383	8.2
123.08103	3.2
123.11691	6.5
125.05976	2.9
127.03905	15.2
128.06200	7.5
129.01863	5.3
129.06989	8.3
131.04939	4.3
131.08592	11.8
133.02855	50.2
133.06496	11.0
133.10150	11.9
134.03670	1.8
135.04417	22.6
135.08035	4.0
135.11676	5.7
137.05957	6.3
139.07538	1.9
139.11206	2.1
141.06993	3.5
142.07785	1.9
143.04921	1.7
143.08574	5.2
144.05710	3.5
145.02872	2.2
145.04935	1.7
145.06499	13.2
145.10097	12.9
147.02895	3.3
147.04402	14.3
147.08018	12.3
147.11697	6.0
149.06000	8.9
149.09657	2.8
151.03900	100.0
151.07532	3.7
151.11195	3.4
153.07025	2.2
155.08499	4.2
156.09299	2.6
157.06505	8.5
157.10153	6.7
158.07292	3.2
159.02945	2.3
159.04359	2.3
159.08083	14.7
159.11632	7.4
161.06012	6.6
161.09624	13.2
161.13168	1.8
163.03871	2.3
163.07542	2.3
163.11165	4.4
165.05505	6.3
165.06937	3.8
167.07063	3.7
167.08482	3.4
169.06464	1.9
169.10135	4.9
171.04340	1.8
171.08035	14.4
171.11690	5.0
172.08772	2.1
173.05962	13.9
173.09616	20.8
175.03876	8.5
175.07564	7.7
175.11201	4.4
177.05460	5.9
178.07816	2.6
179.08595	3.6
181.06433	3.4
183.02917	2.5
183.08034	3.5
183.11722	2.7
185.09651	12.9
187.03885	2.1
187.07521	10.7
187.11224	4.1
189.05446	6.6
189.09079	5.5
191.07031	33.1
193.04932	3.7
193.10135	2.2
195.08038	4.3
195.11699	2.4
196.08630	1.8
197.05969	2.2
197.09595	9.4
199.07494	10.8
199.11179	5.2
201.09169	2.7
201.16429	2.5
203.07007	3.9
203.14250	1.9
205.08427	1.6
207.06456	2.2
208.08803	1.7
209.09689	2.2
211.07495	3.3
211.11105	7.7
212.11916	3.5
213.03972	3.5
213.08980	7.5
213.12654	7.1
215.06985	3.2
215.10678	10.0
217.04915	2.3
217.08536	3.4
222.10347	3.2
225.09149	3.2
225.12677	2.2
227.10773	3.2
227.14258	4.1
229.08595	2.7
235.11157	2.0
237.12793	3.3
237.18521	4.2
239.10638	2.9
241.12297	2.7
249.12489	1.8
253.12216	3.0
253.16185	1.5
255.13808	62.1
257.11810	2.5
259.13174	2.5
265.12311	3.3
267.10431	1.4
267.13788	6.2
271.13345	4.1
273.14859	4.1
279.10416	2.7
279.13748	3.2
283.13342	5.6
285.07477	2.4
285.14856	3.6
293.15408	1.7
295.13217	3.3
297.14838	12.9
303.13449	2.7
307.13293	3.6
309.14706	3.8
311.07513	2.4
313.14325	2.2
321.15005	4.8
323.09109	10.6
323.12646	2.7
325.14346	3.4
335.16495	2.2
339.15939	3.9
340.11865	3.2
341.11984	8.9
345.14865	7.0
363.15860	20.8
369.11969	1.9
381.16928	17.6
399.18143	9.7
414.09995	2.7
417.18985	1.9
441.19186	9.4
467.17047	4.8
485.17804	10.3
503.19019	21.3
521.19958	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.05505	1.4
57.03440	2.1
58.06598	2.5
60.04533	1.3
67.05499	3.9
69.03437	7.7
69.07062	3.3
69.54826	4.0
69.55244	3.1
70.06588	4.8
71.04988	3.0
71.48398	1.0
72.08154	2.5
73.02913	1.1
73.04735	1.2
77.03914	1.0
79.05495	4.8
81.03409	3.3
81.07060	6.8
82.06585	2.1
83.04976	1.8
84.04497	2.2
84.08157	2.1
85.02901	11.2
85.06549	2.0
86.09708	5.9
87.04465	2.4
88.05585	1.0
89.55175	1.0
91.05437	6.8
93.07042	4.5
94.04182	2.6
95.04963	4.7
95.08634	4.7
97.02917	5.8
97.06544	1.8
98.20770	2.2
99.04505	1.1
99.08054	1.2
99.44793	1.0
102.05544	1.5
103.05484	1.7
105.03362	5.7
105.07040	8.5
107.04958	3.0
107.08608	3.0
109.02877	3.4
109.06528	2.1
109.10166	3.5
111.08047	1.4
115.03934	2.4
115.05459	3.7
117.06994	1.5
119.04939	4.3
119.08572	4.6
120.08144	1.2
121.02903	1.7
121.06510	1.6
121.10139	3.3
122.03665	6.8
123.04388	1.2
123.11655	1.8
125.09575	1.1
127.03927	3.0
128.07082	8.9
129.07468	2.4
131.04948	1.8
131.08572	1.8
132.05695	1.4
133.02840	1.4
133.04947	1.7
133.06473	3.9
133.10133	6.4
135.04376	2.4
135.11688	1.6
137.05978	100.0
138.06332	1.4
139.11157	1.2
143.10692	1.1
145.10112	2.2
147.04427	5.5
147.08072	1.8
149.13246	1.1
155.04907	1.3
159.08084	3.0
159.11658	1.5
160.05208	1.1
161.05972	12.7
161.09567	1.2
163.07518	1.2
167.07124	1.5
173.13252	6.9
175.03958	5.6
175.07542	29.0
179.06995	2.2
187.07527	7.5
189.09148	1.6
191.08546	5.7
191.14314	4.5
193.04994	3.4
199.07524	8.9
202.07695	1.5
203.08582	4.7
207.06493	12.7
207.22148	1.1
218.07314	1.6
219.08092	8.4
220.08783	1.9
222.49049	1.1
231.08052	3.7
236.08299	2.3
247.07486	3.0
248.08350	3.5
251.10670	10.2
259.07574	4.5
260.08447	1.1
263.10721	2.8
264.07678	1.5
275.07123	1.3
276.07831	1.7
277.08569	2.7
279.10147	7.7
280.10858	1.7
287.23547	1.5
291.10144	9.2
292.11023	2.0
295.13089	1.5
295.44791	1.1
299.06189	2.3
305.24680	1.6
311.12769	26.2
323.12762	14.2
332.11545	1.8
351.14847	2.0
405.61157	1.2
485.18497	1.2
503.12299	1.8
503.20862	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	503.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55215	0.6
59.86511	0.6
60.54649	0.6
67.05480	1.4
69.07062	2.8
69.84058	2.5
70.07361	0.6
79.05475	1.1
81.07029	0.7
83.04961	0.6
85.06504	0.9
91.05432	0.7
93.07008	1.2
95.08602	0.6
98.98421	0.7
99.98708	0.5
105.06996	1.1
107.00205	0.6
107.08575	0.9
109.10126	1.7
119.08571	0.8
120.04442	1.7
121.02859	0.6
121.10173	0.7
132.04425	2.1
145.10147	0.7
146.05998	0.7
146.85413	0.6
148.03918	0.9
160.03947	2.1
162.05432	0.8
167.05515	1.0
172.07526	0.8
175.03906	0.7
186.09128	0.7
200.07030	2.4
201.07893	0.9
212.06982	0.9
214.05008	1.5
214.08760	1.3
226.08652	1.2
227.05806	1.1
227.09366	0.8
228.06531	3.5
229.07292	6.4
241.07324	0.7
242.08096	5.7
243.08772	0.6
244.09755	3.0
251.56255	0.8
254.08113	1.9
256.06058	1.6
257.06827	42.2
258.07431	1.5
266.07016	2.8
266.57175	3.8
267.07147	0.9
270.07623	12.4
271.08395	16.9
272.09174	97.2
273.06393	1.9
273.09540	2.8
275.20105	0.8
275.57800	0.8
284.09128	1.6
303.05313	1.0
326.13864	1.2
503.18146	100.0
504.18436	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	502.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	14.8
55.89625	4.0
56.21392	4.2
57.03422	13.0
57.07076	36.3
65.24724	4.4
67.05509	92.4
69.07042	6.9
70.49110	8.1
71.08644	22.3
76.69730	4.0
80.47237	3.8
81.06651	3.7
81.07063	20.3
83.08607	11.5
85.10187	12.9
91.05442	6.1
95.08625	23.6
109.10158	80.3
119.08589	5.1
142.24796	4.3
155.10660	3.8
167.05637	4.7
173.11713	25.4
187.84395	3.8
229.14325	82.6
299.06149	6.7
313.27380	100.0
467.37283	46.4
529.13910	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	503.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
51.30273	0.4
53.03948	1.2
54.38503	0.4
55.01873	4.3
55.05519	1.1
57.03442	1.1
57.31252	0.5
59.20520	0.4
61.02922	0.5
63.80497	0.5
65.03959	0.5
67.05507	1.4
68.99802	0.5
69.03427	5.1
69.07070	1.6
69.73335	0.4
70.06592	1.7
70.67878	1.0
70.68248	0.8
71.04993	0.9
72.08144	0.8
73.38202	0.4
79.05495	2.7
81.03419	5.1
81.07080	3.2
83.04960	1.0
84.04503	0.6
84.08138	0.7
85.02905	7.3
85.06564	1.1
86.06062	0.5
86.09711	1.0
87.00828	0.8
90.00005	0.5
91.05454	3.9
93.07050	2.8
95.04983	2.1
95.08611	2.6
97.02898	4.8
97.06528	1.1
98.20792	0.5
99.04454	1.7
99.08077	0.6
105.01863	0.7
105.03394	2.9
105.07033	2.6
107.04958	4.7
107.08606	2.5
109.02876	4.3
109.06519	3.3
109.10137	2.1
111.04389	0.7
111.08073	0.6
116.10738	1.0
117.07034	0.8
117.12114	0.4
119.04946	4.6
119.08593	1.9
121.02840	0.9
121.06517	0.8
121.10132	2.8
123.08056	0.5
123.11708	1.0
125.05989	3.8
125.09612	0.7
127.03905	4.5
127.11243	0.6
128.07082	0.6
131.08557	0.8
133.06509	0.9
133.10126	1.8
135.04430	0.7
135.11702	1.0
137.05981	65.9
138.06389	0.7
139.11102	0.5
145.04967	3.2
145.06091	0.4
145.10138	1.5
147.04428	1.1
147.08072	0.6
147.11722	0.7
149.09563	0.7
149.13306	0.7
151.07526	3.0
151.11195	1.1
155.10675	0.4
157.10146	0.9
159.11705	0.9
161.05920	0.6
161.13239	0.7
162.09149	1.4
163.03908	43.6
163.11150	0.5
165.01810	2.3
165.72104	0.4
167.05609	0.4
171.11687	0.6
173.13364	0.6
175.03896	1.2
175.07524	0.5
179.07037	100.0
180.07341	1.3
183.02904	0.7
187.05980	2.4
189.88292	0.5
191.07112	0.5
197.08078	1.9
201.16383	0.7
207.06541	1.6
215.10689	0.8
217.08369	0.6
219.06465	0.6
219.17462	1.1
220.09644	1.1
233.73106	0.5
237.18567	3.2
255.13728	1.0
255.19553	1.1
267.06503	1.9
268.07413	1.0
271.06061	0.7
279.06445	1.5
293.13953	0.5
297.07565	3.6
299.06168	0.9
321.07318	0.6
331.15198	0.5
341.13574	1.5
341.18408	1.4
469.41992	0.5
485.10449	0.6
503.09787	2.0
503.18045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.6
57.07056	4.5
67.05510	8.0
69.07058	6.2
69.78011	10.1
71.08625	2.1
76.20471	1.5
79.05475	7.3
81.03439	1.9
81.07057	100.0
81.64121	1.5
83.08614	2.9
85.06551	1.9
89.06038	5.7
91.05463	4.1
93.07051	13.0
95.08609	12.2
97.10182	1.7
105.07019	4.1
105.20153	1.8
107.08593	3.4
119.08571	3.5
121.06516	2.8
121.10147	2.3
131.08521	2.5
133.08594	2.3
135.11716	3.6
137.13266	21.2
161.09648	2.0
161.13245	6.6
173.06143	2.1
175.03902	10.0
179.08563	1.9
187.03883	4.8
189.09134	3.7
199.03934	3.4
201.09102	2.0
213.08998	3.2
218.02016	1.8
223.07494	3.0
225.09067	3.3
227.06998	2.2
227.10617	2.4
229.08586	5.2
231.02922	6.4
232.03160	1.8
233.04543	2.5
236.16454	1.6
237.09055	1.7
237.12675	2.3
241.08492	7.8
243.10164	4.8
247.09483	3.5
253.08669	8.3
253.12294	4.3
255.13737	5.8
273.14828	11.5
274.73230	1.7
280.10999	3.0
295.13266	9.6
299.09183	3.1
313.14319	46.6
314.14670	2.6
317.10236	2.7
329.86008	2.0
331.15543	10.3
359.20691	2.2
365.20474	2.0
395.25497	2.5
439.28226	2.2
449.26877	32.6
450.27011	2.9
467.27811	6.5
468.28293	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93868	2.8
53.03932	6.2
55.05499	10.8
57.07080	4.3
59.05006	3.3
64.20738	3.0
65.03929	4.2
67.05501	29.2
69.07070	18.4
70.84705	8.9
71.05009	3.8
72.13612	3.0
74.09417	3.3
79.05482	18.3
81.06596	4.8
81.07063	93.5
85.06548	20.6
89.03722	3.0
91.05489	26.2
93.07047	68.2
95.04942	3.6
95.08606	18.1
105.07034	23.2
107.08583	15.3
109.06543	3.4
109.10160	7.7
119.08584	26.0
121.06493	3.7
121.10155	11.5
123.11739	5.6
129.07025	5.8
131.04898	5.8
131.08582	7.2
133.10129	11.0
135.04417	11.1
135.11690	17.6
137.13260	12.5
143.08609	4.7
145.10162	5.2
147.04410	15.5
147.08075	4.2
147.11678	4.2
149.05988	14.7
157.06494	5.3
159.04448	11.0
159.07993	4.2
159.11681	7.7
161.05966	10.7
161.13293	28.2
163.03888	7.8
171.08061	5.6
171.11694	3.4
173.05977	8.5
173.09660	8.3
175.03912	80.4
175.07555	7.8
177.05449	10.4
177.09131	3.7
185.05995	4.3
185.09642	4.6
187.03922	32.0
187.07549	7.8
189.05453	11.2
189.09160	21.3
189.12762	7.4
197.09615	7.4
199.03882	9.8
199.07610	6.9
201.05550	7.8
201.09114	13.8
203.03305	3.6
203.07014	7.6
203.10626	6.2
207.10126	8.8
207.13815	5.8
211.07518	7.1
212.08456	3.0
213.09125	13.3
215.07091	8.0
215.10703	10.6
217.08611	3.0
219.10135	8.7
221.11688	6.8
223.07526	23.5
223.11209	3.9
224.08203	4.3
225.09146	16.2
226.06310	12.4
227.07014	4.2
227.10628	9.5
228.07970	3.6
229.08592	28.8
229.12155	5.2
231.10083	17.1
233.11674	5.4
239.10753	5.3
241.08601	54.2
241.12291	6.1
243.10204	32.9
243.13971	4.3
245.11778	8.3
247.09636	52.0
253.08598	10.6
253.12312	5.2
255.10042	3.9
255.13776	7.5
259.09705	20.9
265.15652	3.8
266.12939	3.0
269.15344	4.8
271.09613	4.3
273.14816	22.7
277.12079	5.2
280.11008	5.1
283.16971	7.3
287.16360	15.1
291.16046	15.5
295.13330	60.8
301.17679	4.8
311.16327	16.2
313.14355	100.0
315.15829	4.6
325.14160	4.2
329.17355	9.9
331.15390	32.4
361.17865	15.0
365.21091	11.9
367.22742	10.0
367.66080	4.0
377.24860	11.4
379.18994	60.4
395.22092	12.6
395.26392	6.7
421.27286	12.2
431.25653	11.7
439.28104	7.9
449.21533	4.5
449.26932	41.4
467.28128	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	502.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.4
51.02361	0.8
53.03949	3.0
55.01865	1.2
55.05511	9.5
56.12189	0.4
67.05500	1.6
69.03415	1.5
69.56401	1.9
69.56827	1.2
70.06582	0.5
71.04990	3.8
72.08157	0.8
77.03916	0.6
79.05493	34.0
80.05817	0.6
81.03403	1.1
81.07054	1.3
83.04983	4.0
84.08133	2.1
91.05476	7.6
93.07043	33.5
95.04962	5.7
99.18023	0.4
104.05018	0.6
105.03388	86.0
105.07027	2.1
106.03752	1.4
107.04958	7.1
107.08575	3.1
110.09624	0.5
112.11240	2.8
118.06570	0.8
121.10147	6.8
122.06012	0.6
131.08562	2.5
134.06006	6.1
149.09633	3.2
155.11775	0.7
161.10741	13.1
162.09138	100.0
163.09470	2.3
175.12308	4.7
176.10701	9.0
231.14859	1.0
233.16481	51.3
234.16768	1.8
258.95013	0.4
270.07690	1.0
271.08441	2.5
272.09344	0.6
273.06381	0.4
287.07587	0.4
287.33667	0.6
301.35535	0.4
336.20697	68.4
337.21085	4.5
354.21750	34.3
355.22107	1.9
380.26926	6.1
381.25412	3.0
437.21872	0.4
502.30685	8.0
503.17731	1.8
503.30511	0.8
529.73633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.3
57.07068	5.5
65.03941	4.7
65.07638	4.0
67.05500	21.3
67.52978	4.4
68.84529	4.5
69.07068	13.8
70.07330	10.8
70.07735	12.0
79.05457	6.3
81.07061	15.5
85.06553	9.7
87.06223	4.1
91.05478	11.1
93.07045	53.7
95.04990	8.3
95.08598	9.1
105.07039	22.5
107.04964	5.6
107.08566	7.0
119.08581	37.0
121.10157	6.7
133.10132	15.4
135.11722	7.3
142.04822	4.6
147.04462	5.7
147.08081	27.6
161.13269	80.4
175.03909	100.0
177.05446	23.6
187.03957	20.0
187.07706	4.7
189.05440	7.8
189.09125	11.1
189.12796	11.3
199.03882	6.3
201.05409	5.7
201.09120	6.6
213.09134	8.9
215.07019	6.4
226.06303	13.7
229.08652	24.4
231.10161	9.4
241.08586	35.5
243.10217	15.9
247.09627	85.7
259.09695	17.2
261.14777	33.7
295.02362	4.4
295.13306	8.8
311.16345	28.4
313.14264	35.8
331.15341	10.9
365.21036	9.2
377.21054	11.3
383.21994	9.4
395.22177	18.1
427.41336	6.6
431.26257	4.8
449.26920	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	18.3
61.40428	13.2
62.17938	12.5
66.10631	16.0
67.05495	35.4
67.05833	14.3
69.07053	32.1
71.07988	30.8
71.15968	12.6
79.05458	19.3
81.03389	18.9
81.07061	100.0
85.06520	21.2
91.05459	31.5
93.07024	20.3
94.33162	13.5
95.08582	15.8
99.05324	12.6
105.07023	36.9
107.08505	16.7
119.08575	27.6
126.72916	15.2
129.07016	17.0
133.10130	31.5
137.13231	18.6
147.04396	16.7
152.25203	13.6
159.04341	13.8
159.11781	14.7
161.13272	87.2
161.62317	13.1
175.03981	91.6
184.85378	14.7
187.03857	34.8
203.03470	15.5
216.97095	13.2
229.08565	37.5
231.02933	20.1
241.08565	41.9
243.10162	30.8
247.09654	58.9
249.92674	14.9
264.74228	15.8
295.13351	22.4
313.14310	53.7
498.90826	14.1
502.39816	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01875	0.8
55.05512	1.8
56.05037	0.4
57.03441	0.5
58.06580	0.4
61.02907	0.6
67.01883	0.4
67.05494	1.8
69.03426	2.5
69.07054	1.6
70.06589	6.3
71.04964	0.6
71.52875	0.7
72.08160	2.0
73.02908	0.6
79.05479	1.5
81.03419	2.6
81.07050	2.1
82.06580	15.4
82.07077	0.8
83.04967	1.3
83.07328	0.4
84.04501	1.5
84.08157	2.0
85.02908	3.9
86.06052	1.3
86.09713	6.0
87.04472	0.5
91.05472	3.0
93.07040	5.4
94.06494	0.5
95.04969	1.7
95.08609	3.1
96.08128	0.7
97.02885	1.7
97.06564	0.5
99.04462	0.9
100.02149	0.4
100.07621	3.9
102.05532	0.8
105.03413	0.4
105.07024	1.4
107.04939	0.6
107.08591	4.6
109.02867	1.7
109.06530	0.4
109.10149	1.3
109.10878	0.3
110.06036	0.9
110.07130	0.4
110.09686	0.4
111.04444	0.7
112.07579	0.7
116.07087	0.6
116.10735	1.0
117.69765	0.4
119.04961	0.8
119.08565	0.8
120.08104	0.9
121.02843	2.0
121.10117	0.5
124.03950	0.3
124.07575	0.6
126.09161	0.7
127.03917	1.3
128.07074	100.0
129.05586	0.4
129.07460	0.7
129.10237	0.8
130.08635	0.5
133.10104	0.7
135.11687	1.0
137.06003	0.4
142.08589	3.3
144.06523	0.6
145.05026	0.6
147.04370	0.4
148.06064	0.5
151.11151	0.4
154.07382	0.5
154.08627	7.8
159.06633	0.4
161.09338	0.4
167.06966	0.4
168.06580	0.8
172.09677	13.0
175.03918	0.9
178.05081	0.6
188.09135	3.8
195.71555	0.4
202.08562	0.8
207.06464	1.8
208.06111	1.1
212.16467	4.9
219.06593	0.6
220.09689	0.9
230.09998	0.5
236.05560	1.5
242.15002	0.6
274.12744	0.6
283.94836	0.4
290.12366	0.7
296.11145	0.4
299.06207	0.4
304.13885	1.3
314.12366	1.4
332.13382	6.7
334.15167	0.5
340.12170	0.6
340.21201	1.6
350.14444	34.9
351.14636	0.7
374.21689	6.1
388.19470	0.5
484.25403	0.8
502.16565	0.6
502.25900	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	502.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.6
53.39856	3.0
55.01862	11.6
55.05516	20.1
57.03421	6.9
57.07064	6.2
61.02910	5.1
65.03926	5.2
67.05521	21.1
69.03434	51.6
69.07074	19.7
70.03786	3.6
70.06575	14.8
71.01339	6.1
71.02938	9.7
71.04980	11.3
71.08622	2.8
72.08160	3.9
73.02898	3.7
79.05488	23.1
81.03413	28.4
81.07056	40.7
83.04985	18.6
83.08608	6.5
84.04503	4.9
84.05341	5.3
84.08150	8.0
85.02911	61.7
86.09692	7.3
87.00838	23.3
91.05471	30.1
93.07042	36.4
95.04943	12.6
95.08616	33.8
97.02902	26.2
97.06546	16.6
97.10140	3.8
99.04451	13.9
105.01861	23.9
105.03380	7.8
105.07023	50.4
107.04941	9.9
107.08599	40.7
108.08977	3.9
109.02866	23.7
109.06516	9.1
109.10162	26.3
110.07220	3.5
111.04412	18.3
111.11792	3.3
112.04742	8.8
115.03904	4.9
116.07063	5.0
117.07025	18.0
119.04941	5.8
119.08586	42.9
120.08062	3.5
121.06503	9.4
121.10128	32.0
122.03610	7.9
123.08103	5.9
123.11730	11.5
125.09647	5.8
127.03920	38.9
128.06203	3.9
129.01898	4.3
129.06995	5.6
130.07727	4.4
130.31894	3.1
131.08583	29.3
133.10127	24.7
135.11696	11.9
137.05988	69.8
138.06332	21.2
141.01764	3.7
143.08575	8.0
145.04942	19.7
145.06508	3.9
145.10118	61.1
146.10522	3.4
147.04417	7.6
147.11688	14.2
149.13286	4.5
151.03900	6.4
151.11162	3.6
152.04234	3.8
156.09309	3.2
157.10088	6.5
158.03760	3.8
159.02863	13.8
159.07970	3.5
159.11713	36.8
161.06007	6.2
161.13228	11.7
163.07430	4.1
163.11272	7.9
165.01808	29.5
167.07007	3.4
173.05927	4.1
173.11841	3.9
173.13239	11.5
175.04019	5.7
175.14771	6.4
183.02892	37.4
187.11150	3.3
190.05788	3.5
191.06898	3.7
201.05444	27.3
201.16400	65.9
202.05821	23.5
203.17921	5.4
204.04659	4.8
205.06523	3.3
205.62543	3.3
206.07008	4.1
216.06566	4.1
219.17455	26.4
221.07950	4.8
221.12875	4.9
232.04085	4.4
234.06599	13.6
235.07155	14.0
237.18529	5.4
238.09473	3.4
246.06314	4.8
249.08919	5.1
250.09421	8.1
251.06648	4.1
255.13696	5.2
260.03708	26.2
262.06119	7.1
263.06702	21.1
264.07516	4.2
265.08240	6.1
266.09116	7.0
270.07590	7.9
272.07953	11.7
274.06079	8.1
275.20392	3.4
277.08475	11.3
278.05783	3.6
278.08813	16.1
279.06281	4.9
285.07556	26.1
287.07672	3.6
288.03174	9.2
288.08524	12.3
289.09048	19.2
290.05225	14.4
291.06021	17.0
292.06906	6.1
293.07913	5.9
294.08414	7.3
299.05829	6.9
303.02081	4.8
303.47424	3.5
305.08008	16.6
306.08356	30.8
307.09247	10.2
308.10123	8.5
310.11594	4.7
316.02686	13.8
318.04367	14.1
320.10022	3.8
325.10556	9.0
326.11087	28.0
337.10693	22.9
338.11017	66.6
340.12158	5.8
341.13724	11.7
356.12225	6.2
398.14813	5.4
414.10062	100.0
416.11630	23.6
447.12762	3.6
502.17944	54.5
502.26270	8.5
503.14529	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	21.9
57.07054	5.3
59.04994	12.8
61.02929	3.9
67.05504	24.6
69.03415	3.4
69.07060	18.7
71.04990	6.9
71.18330	4.1
73.06587	2.1
73.59463	2.1
79.05486	17.6
81.07056	45.2
83.04968	5.6
83.08621	12.0
85.02891	3.7
85.06534	5.3
87.08115	3.7
91.05479	16.2
93.07043	45.2
93.50365	2.3
95.04969	3.7
95.08605	57.5
97.02903	2.9
97.06511	8.5
97.10159	7.3
99.08071	8.1
105.06310	3.2
105.07024	44.7
107.08590	44.9
109.06494	6.3
109.10155	35.5
111.08045	8.5
117.07017	9.9
119.08572	40.1
121.10139	47.0
123.08066	10.7
123.11691	18.6
125.09634	17.4
128.06143	2.5
129.06975	5.7
131.07031	2.3
131.08554	26.2
133.06445	2.3
133.10124	43.6
135.08047	4.5
135.11693	21.7
137.09622	10.1
137.13266	3.4
138.61873	2.4
139.07530	14.9
139.11150	11.8
142.07742	3.0
143.08551	13.8
144.09264	2.2
145.04889	2.0
145.10132	37.0
147.04510	2.3
147.08075	3.9
147.11679	39.2
149.09602	6.6
149.13237	12.2
151.11179	7.7
155.08569	4.3
157.10139	22.1
159.11681	38.9
161.09586	6.0
161.13229	20.5
163.03838	2.6
163.11174	6.9
163.14795	4.0
165.12743	7.1
168.09262	2.2
169.10114	11.8
171.11696	20.6
173.13235	23.3
175.11201	4.1
175.14760	13.3
177.12784	10.9
177.16364	4.2
179.14310	3.0
181.10097	4.4
183.11693	10.8
185.13243	16.0
187.14835	16.0
189.12740	8.6
189.16347	17.6
191.14360	5.3
195.11662	4.1
197.13239	13.9
199.14793	17.5
201.07454	2.6
201.12712	4.5
201.16368	24.6
203.14255	4.4
203.17957	3.6
205.15868	5.1
207.17361	3.0
209.13217	7.8
211.14804	8.5
213.16373	13.4
215.14343	4.4
215.17882	7.3
217.15886	7.8
217.19472	3.3
223.14723	5.1
224.15492	2.4
225.16399	9.2
227.17909	16.8
229.15871	4.0
229.19472	4.0
231.17404	8.0
237.16309	5.8
239.17958	9.2
241.19411	3.4
243.17389	6.7
245.18970	35.5
251.18019	4.9
253.19527	6.0
255.17471	2.2
255.21082	2.7
257.18945	7.3
259.20389	3.4
265.19516	6.3
267.21078	8.1
269.18951	2.7
269.22815	2.2
271.20538	8.9
273.22217	2.8
277.19577	2.6
279.20984	4.9
281.19067	3.4
281.22574	4.0
283.20502	7.7
285.22174	8.2
293.22678	5.1
295.20609	5.3
295.24066	5.4
297.22241	5.7
297.77255	2.3
307.24310	4.4
309.22189	5.1
311.23657	26.9
312.24478	2.7
313.25171	9.6
321.25635	3.0
323.27490	2.9
325.25208	15.2
333.25720	3.6
335.27167	3.9
337.25217	4.1
339.22943	2.5
339.29095	3.4
341.28452	2.3
351.26785	36.2
353.28357	9.2
363.30667	2.7
365.28317	4.0
369.27878	31.8
371.29471	3.2
381.31329	6.5
383.29379	5.3
397.27353	100.0
405.31339	6.6
409.72366	2.7
411.28711	7.9
415.28619	3.3
423.32486	14.4
429.30032	6.9
433.30896	3.2
441.33771	11.7
451.31848	10.8
469.33154	51.4
483.34610	21.7
501.35449	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	501.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.1
55.05510	10.0
62.02876	3.1
62.27873	3.1
63.92145	3.0
67.05498	11.8
68.70137	3.0
69.03447	3.4
69.07069	9.7
69.58864	22.9
71.04989	5.1
79.05493	21.3
81.07063	76.2
83.04988	10.1
83.08630	4.8
85.06551	9.0
91.05502	16.6
93.07050	35.0
95.04955	8.0
95.08607	25.8
97.06534	7.8
105.07027	39.9
105.07717	4.8
107.04926	4.3
107.08596	26.6
109.06515	34.8
109.10169	12.1
111.08096	8.4
117.07035	13.2
119.08587	38.5
121.06566	4.6
121.10173	21.0
123.08057	10.2
123.11752	5.9
125.09634	5.6
129.07025	5.1
131.08577	26.3
133.10146	24.0
135.08031	8.1
135.11690	13.4
137.09602	5.4
142.07776	7.0
143.08554	23.0
143.34186	3.2
145.10146	32.1
147.08014	5.4
147.11674	39.2
149.09633	11.9
149.13280	7.2
151.11189	10.0
155.08580	11.1
157.10162	30.1
158.10901	4.1
159.11690	27.7
161.09644	8.3
161.13286	16.8
163.11223	15.9
165.12805	3.8
169.10112	14.6
171.11693	20.4
173.09769	4.2
173.13298	15.2
175.11295	8.3
175.14836	7.8
177.00395	3.7
177.12697	4.7
179.08597	3.9
181.10143	7.8
183.11728	17.8
185.13249	19.3
187.11192	4.5
187.14815	10.7
189.12785	11.5
193.10220	4.8
195.11758	14.0
197.13351	16.0
199.14893	10.8
201.16403	6.0
203.14326	8.5
207.11754	5.7
207.49847	3.4
209.13289	12.7
211.14827	8.9
213.12643	4.0
213.16315	7.3
215.14354	4.9
215.18005	5.3
217.15926	4.6
221.13242	4.3
223.14763	9.2
225.12598	4.1
225.16394	8.0
227.14336	3.4
229.15773	4.5
235.14890	6.1
237.16331	5.8
239.18016	16.0
241.15866	7.6
241.19528	6.3
249.16331	4.3
250.16928	4.0
251.17867	3.9
253.19701	3.5
255.17468	3.7
257.19113	5.0
261.18503	3.6
265.19644	8.5
281.19040	4.5
283.20496	6.9
285.18555	3.9
307.20438	5.2
309.22186	9.6
311.96048	3.6
321.21124	4.9
323.23767	6.1
325.21646	6.0
351.23260	5.9
355.18915	3.8
361.24991	5.2
363.26651	4.9
365.24756	9.3
369.24210	10.4
379.26257	13.4
381.24057	6.6
383.25787	4.4
393.24164	7.0
395.29532	4.7
397.27380	24.3
411.25311	31.4
423.28870	18.6
429.26404	25.0
441.30035	100.0
442.30411	6.2
483.31174	11.7
501.31812	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	501.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01860	1.2
55.05498	4.4
57.03397	1.0
57.07082	2.1
67.05506	6.8
69.03437	1.9
69.07061	3.7
69.64193	6.7
71.04993	1.5
79.05492	7.2
79.43515	1.1
81.03407	3.2
81.06586	1.6
81.07053	22.1
83.04965	6.6
83.08598	1.5
86.10162	1.0
91.05463	8.6
91.86749	1.0
93.07043	12.3
95.04962	4.0
95.08614	7.7
97.06522	2.3
102.69546	0.9
104.53448	1.0
105.07037	12.3
107.04938	2.0
107.08614	9.5
109.02866	4.1
109.06512	11.2
109.10177	6.0
111.04435	3.0
111.08078	2.5
117.07023	3.3
118.06525	1.0
119.08588	15.3
121.02883	1.6
121.06516	5.3
121.10145	6.7
123.08043	4.7
123.11677	2.5
125.09633	1.3
128.06177	1.0
129.06982	3.7
130.06534	7.7
130.07770	1.7
131.08559	10.1
132.04442	3.8
133.10124	9.3
135.08049	3.5
135.11687	3.5
137.09589	2.2
139.03885	9.4
139.07542	1.4
141.07025	1.0
142.07750	2.2
143.08556	8.1
143.24858	1.1
145.06470	2.1
145.10127	15.2
146.06004	4.0
146.10916	1.1
147.08060	2.0
147.11700	13.0
149.09587	3.7
149.13274	1.9
151.11172	2.4
152.43604	0.9
155.07112	1.4
155.08527	3.6
157.08907	1.9
157.10104	12.4
158.06026	24.0
159.06767	1.4
159.08049	1.5
159.11700	12.6
161.09691	1.6
161.13219	3.8
163.11093	3.7
165.12718	1.3
167.07167	2.9
167.08502	1.5
169.08778	1.1
169.10143	4.1
170.10965	1.0
171.11652	7.0
172.07556	1.9
172.11189	2.8
173.09615	2.7
173.13269	7.1
175.11142	3.4
175.14857	2.6
181.04939	1.3
181.08705	7.3
181.10188	2.8
182.09630	9.3
183.08064	1.1
183.10255	1.2
183.11684	6.4
184.07597	1.6
185.09628	1.3
185.13245	7.6
187.11198	2.2
187.14824	4.5
189.12740	3.3
189.16438	1.7
191.06996	3.9
193.10144	1.7
193.12230	1.7
195.11690	4.1
196.11174	3.3
197.13219	5.8
199.11182	1.2
199.14801	6.3
200.10709	100.0
201.11014	3.5
201.12772	2.5
201.16374	3.5
203.10460	1.1
203.14290	1.2
207.11621	1.2
208.12427	1.4
209.13300	3.2
211.14841	3.7
213.12711	1.2
213.16354	3.0
215.10825	1.5
215.14258	2.3
215.17952	3.4
217.15840	1.3
219.11713	1.5
221.13263	1.3
223.14806	2.6
225.16405	3.6
227.14359	1.4
229.15877	2.1
235.14653	1.8
237.16328	3.1
239.17953	4.3
241.19589	2.8
243.17442	3.7
245.15337	1.6
257.18915	1.0
261.18469	1.3
265.19519	2.8
273.10324	2.2
283.20514	3.0
285.18451	1.8
297.18555	1.5
297.22128	1.2
303.19714	2.1
307.20612	1.7
309.21976	2.3
313.14270	2.4
321.20786	1.8
323.23740	2.1
325.21597	3.4
341.24646	1.7
351.23080	1.5
351.26816	1.8
353.21204	1.7
365.24664	2.8
367.22754	1.3
369.24088	3.1
379.26324	3.0
381.20404	7.1
381.28259	2.0
387.26614	1.1
393.24329	2.2
395.20422	1.1
395.29306	1.4
397.27530	6.7
405.28043	1.2
411.25256	5.8
416.36316	1.3
423.28918	7.3
429.26407	17.7
430.26825	1.2
441.23694	2.3
441.29999	28.2
442.30203	2.6
483.31198	1.8
501.32074	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	501.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.0
63.11385	0.4
67.05508	1.2
70.47742	0.8
70.48109	0.9
79.05485	0.9
81.01957	0.4
81.07058	1.1
81.39767	0.4
81.97330	0.4
83.04990	0.7
90.80217	0.4
91.05479	0.5
93.07034	0.6
95.04998	0.5
103.16301	0.4
105.07028	0.7
107.08577	0.5
116.35919	0.4
119.08541	0.5
120.04505	1.2
130.06544	6.9
132.04440	3.9
133.10126	0.6
134.42740	0.4
142.07809	0.6
143.07304	0.6
144.08104	1.5
146.06000	3.1
154.06450	0.5
156.08084	0.9
157.08804	1.4
157.09998	0.7
158.06023	24.1
158.09650	1.8
167.07281	2.9
168.08128	2.1
169.08943	0.6
170.06071	0.8
170.27203	0.5
172.07571	2.1
172.11217	3.1
181.08832	3.8
182.09665	9.2
183.10362	0.7
184.07613	2.0
184.11224	2.2
196.11241	3.9
198.09084	0.5
198.12807	1.3
200.10715	100.0
201.11026	1.5
208.11224	0.6
208.19704	0.4
220.11340	0.6
226.12282	5.9
236.14268	1.7
238.15817	0.7
248.14378	0.6
266.15393	4.1
267.34045	0.4
273.10294	1.5
275.11774	0.9
284.16437	1.1
303.11191	1.5
343.14392	0.9
395.21436	0.9
425.22211	6.1
458.47421	0.5
465.25436	1.5
483.26495	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.05513	1.6
57.07064	0.5
65.03930	0.3
67.05511	1.4
69.03433	0.7
69.07057	1.0
69.83738	1.6
71.05003	0.4
77.03924	0.3
79.05500	2.3
81.06591	0.4
81.07062	6.2
83.04963	0.6
83.08607	0.3
85.06561	0.3
91.05495	1.8
92.05000	0.3
93.07047	2.8
95.04958	0.5
95.08612	1.9
97.06522	0.6
105.07027	2.5
106.82862	0.3
107.08593	2.1
109.06534	2.2
109.10139	0.9
111.08076	0.7
115.05443	0.4
117.06995	0.7
118.06538	1.1
119.08595	2.7
120.04479	1.7
121.06497	0.6
121.10123	1.6
123.08050	0.7
123.11687	0.6
129.07008	0.8
130.05585	0.5
130.06532	6.2
131.08568	1.9
132.04459	3.1
133.10117	2.0
135.08037	1.1
135.11684	1.2
137.09647	0.6
139.07390	0.3
142.07735	0.5
143.07321	0.8
143.08559	1.5
144.08070	1.3
145.10156	2.8
146.06000	2.7
147.08051	0.5
147.11667	2.0
149.09624	0.7
149.13277	0.5
151.11156	0.7
155.07219	0.3
155.08528	0.8
157.08847	1.0
157.10118	2.2
158.06018	23.2
158.09587	1.3
159.06729	0.6
159.08054	0.5
159.11682	2.0
160.07619	0.3
161.09579	0.5
161.13237	1.2
163.11191	0.9
165.12744	0.3
167.07335	2.2
169.10114	0.9
170.06042	0.6
171.11690	1.3
172.07600	1.5
172.11217	3.4
173.09621	0.6
173.13269	1.1
175.11153	0.4
175.14821	0.5
181.08818	3.2
181.10141	0.3
182.09651	8.5
182.11186	0.6
183.10239	0.3
183.11668	1.3
184.07574	2.7
185.08354	0.4
185.13234	1.2
187.11230	0.6
187.14775	0.7
189.12732	0.8
189.16336	0.4
191.14374	0.3
193.10217	0.7
193.12088	0.3
195.11754	0.7
196.11191	2.5
197.13260	1.2
199.14767	0.6
200.10709	100.0
201.11110	2.1
201.16345	0.5
203.14368	0.5
207.11719	0.5
209.13293	0.7
210.09064	0.3
211.14848	0.7
213.16335	0.3
215.14398	0.4
215.17989	0.4
221.13260	0.4
223.14816	0.6
225.16322	0.7
232.18306	0.3
233.18990	0.5
239.18016	0.8
241.15941	0.4
241.19487	0.4
243.13835	0.3
249.16519	0.3
265.19647	0.5
266.15451	0.6
273.10229	3.2
281.19037	0.5
283.20490	0.4
305.22690	0.3
309.22046	0.6
321.20834	0.4
323.23651	0.9
325.21591	0.8
341.24612	0.4
351.23004	0.6
361.15384	1.0
369.24304	0.8
379.16406	0.9
379.26440	0.4
395.21155	1.6
397.27527	1.0
411.25388	1.7
423.28955	1.3
429.26370	5.2
441.30051	4.8
463.31564	0.3
468.62985	0.3
483.31183	0.7
501.32666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02820	0.3
55.05482	1.2
55.05720	0.3
66.29263	0.3
67.05499	0.5
69.03408	0.4
69.30270	3.0
71.24344	0.3
81.07047	0.6
83.04961	0.7
91.05447	0.5
91.57747	0.3
105.07034	0.4
115.05426	0.3
118.06516	1.0
120.04450	1.3
121.10191	0.3
129.06952	0.4
130.06525	6.5
132.04448	3.6
135.92786	0.3
144.08096	1.5
146.06029	2.8
156.08057	0.3
157.08835	1.2
158.06010	22.9
158.09592	1.7
159.06700	0.7
167.07298	2.9
170.05994	0.7
172.07584	2.3
172.11206	3.3
181.08865	4.7
182.09653	9.2
184.07620	2.2
185.08311	0.5
196.11208	5.7
198.09201	0.4
200.10699	100.0
201.11018	1.5
266.15463	0.6
267.08798	0.3
273.10220	2.9
296.93558	0.3
305.83530	0.3
361.15268	0.3
366.15714	0.3
379.16705	0.6
395.21347	1.6
483.25998	0.4
501.28256	12.7
502.28632	0.6
514.62360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.7
55.05504	6.9
55.75092	2.7
65.03926	5.2
67.05518	14.1
69.07069	8.3
70.03590	7.1
70.03986	5.1
79.05495	12.8
81.03420	11.2
81.07054	25.7
83.04984	19.4
91.05486	9.8
93.07035	15.0
93.57583	2.5
95.04978	7.7
95.08595	14.7
97.06520	3.9
105.07040	22.0
107.05032	3.0
107.08589	17.9
109.02875	19.4
109.06505	20.9
109.10155	7.7
111.04452	13.4
111.08148	3.3
117.07025	7.0
119.05009	3.6
119.08590	22.5
121.02885	6.9
121.06513	19.8
121.10148	14.6
121.91474	2.5
123.04473	3.3
123.08096	3.4
123.11698	6.2
124.52014	2.8
127.80850	2.8
129.07031	5.4
130.06519	6.7
131.08580	22.9
132.04404	3.5
133.06506	3.0
133.10150	18.6
135.04443	3.9
135.08008	6.8
135.11693	7.5
137.09608	4.1
139.02940	3.9
139.03917	40.8
142.07765	3.9
143.08582	14.1
145.10107	22.3
146.10812	3.1
147.04347	3.9
147.08067	4.3
147.11687	19.1
149.09599	3.4
149.13321	4.4
151.11182	4.9
155.07054	4.2
155.08527	5.0
156.09305	5.0
157.08949	4.4
157.10141	22.3
158.06039	27.0
159.08109	4.6
159.11707	21.7
161.05978	4.8
161.13281	9.9
163.11159	7.5
165.45053	3.2
167.07126	8.9
169.10143	6.6
171.11694	13.8
173.09645	4.4
173.13220	21.0
175.11136	4.1
181.04929	8.4
181.08643	22.8
181.10129	5.4
182.09666	8.5
183.11694	8.8
185.13287	12.2
187.11163	11.6
187.14854	7.8
189.12775	6.7
191.07022	12.2
195.11746	4.8
196.11172	5.0
197.13264	9.0
199.11084	3.4
199.14897	8.4
200.10713	100.0
200.15668	4.4
201.16356	12.6
203.14296	3.6
206.10991	2.9
207.11804	2.9
209.13264	5.5
211.14816	2.7
213.12828	3.4
215.17958	10.8
221.13364	2.9
223.14809	4.2
225.16335	6.4
227.14320	3.0
229.12445	3.5
235.14867	4.7
239.17972	7.4
243.17561	4.6
245.15291	3.0
249.12833	3.5
257.15454	2.7
257.19019	2.9
261.18588	5.8
267.13712	2.7
271.20767	2.6
273.10266	3.6
285.18527	6.4
295.13361	4.3
303.19458	5.9
309.21979	3.6
313.14539	5.8
321.20901	3.8
337.17981	3.3
339.19522	3.6
353.20993	5.4
369.24442	3.1
379.26346	3.5
381.20584	33.1
397.27478	6.0
411.25137	6.8
421.14188	2.8
423.21475	4.8
423.28906	5.1
429.26367	20.4
431.99225	3.2
441.22739	13.4
441.29956	30.6
470.13101	3.1
501.32098	5.3
506.41058	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	501.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
53.80148	1.1
55.01865	3.9
55.05512	5.7
57.03442	2.9
57.07071	1.6
58.87145	1.0
60.91679	1.1
61.02925	2.6
62.82582	1.3
64.33585	1.2
67.05509	5.7
68.99783	2.2
69.03426	13.9
69.07070	7.8
70.06583	2.8
71.04995	3.1
71.52632	1.5
73.02917	2.5
79.05499	5.2
81.03419	15.1
81.07063	21.1
83.04977	4.8
83.08617	2.7
85.02909	29.4
85.06559	2.5
86.09735	2.9
87.00827	11.6
90.68542	1.4
91.05482	10.1
93.07055	14.3
95.04988	3.4
95.08611	15.2
97.02880	9.8
97.06548	3.8
97.10193	1.6
99.04438	5.8
99.24504	1.2
105.01869	7.1
105.03403	1.9
105.07035	20.6
107.04977	2.8
107.08605	19.6
109.02879	13.3
109.06510	7.8
109.10157	11.1
111.04475	2.2
111.08083	1.9
115.03904	1.4
117.01817	2.0
117.07041	2.8
119.08586	21.3
121.06538	8.3
121.10120	10.7
123.08093	4.4
123.11682	11.3
125.09657	1.5
127.03912	18.0
128.06253	1.6
129.01843	1.3
129.07014	1.8
131.08554	10.6
133.06503	2.2
133.10135	24.4
135.08064	7.9
135.11679	12.6
137.06012	1.9
137.09622	2.4
137.13219	2.6
142.07820	1.6
143.08542	7.0
145.04974	6.3
145.06418	1.4
145.10117	9.1
146.07263	2.4
147.08034	10.8
147.11679	12.3
149.09612	5.3
149.13271	3.4
151.07524	2.0
151.11217	2.2
155.08664	1.6
157.10146	7.2
159.02924	7.2
159.11705	23.6
161.09624	21.2
161.13176	2.5
163.11194	5.3
165.09135	2.0
171.11641	2.1
173.13286	5.3
175.11270	5.8
175.14822	31.6
177.05614	1.4
177.12766	6.2
179.10670	10.2
187.14835	2.0
189.16365	17.6
191.14258	1.5
199.14822	14.5
201.16362	1.6
207.17422	8.7
213.09065	1.4
217.15871	53.0
218.16330	1.9
219.06566	4.7
219.17491	3.3
231.05084	1.9
234.23964	1.3
235.16925	100.0
236.17300	1.4
237.18468	2.2
243.75734	1.2
253.17990	28.6
306.38721	1.4
307.10187	1.2
337.10287	1.4
339.08484	2.3
339.12296	1.6
403.14606	1.3
406.75714	1.4
408.50766	1.2
411.25793	1.5
429.93445	1.5
501.12781	4.1
501.32477	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1755
Annotation	Ikarisoside A
Peak:m/z	Relative Intensity
53.03929	2.5
55.01858	1.5
55.05510	8.3
59.04968	1.3
62.13625	0.8
65.03922	1.4
67.05490	3.6
68.99800	0.9
69.03428	30.0
69.07061	3.8
70.01205	2.2
70.01613	1.8
70.06588	2.8
71.01355	9.0
71.04994	2.5
79.05493	5.5
81.03414	4.1
81.07055	6.9
83.04981	18.1
83.08603	1.5
84.04518	1.1
84.08152	0.9
85.02905	10.1
85.06557	1.4
91.05467	8.9
93.07020	4.8
94.04179	1.5
95.04981	4.3
95.08607	5.4
97.02847	1.9
97.06530	2.7
97.10167	0.9
99.04437	3.0
105.03358	1.0
105.07032	5.8
107.04982	2.9
107.08598	4.4
109.02893	2.7
109.06501	4.7
109.10171	3.1
111.04438	21.3
111.08102	1.3
115.05463	2.0
117.07037	2.0
119.04942	3.9
119.08567	3.6
121.06519	1.4
121.10161	4.0
122.03654	6.0
123.08096	1.3
125.09624	1.4
127.03094	0.8
127.03893	4.9
128.06207	1.1
129.05473	4.9
129.07004	1.6
130.04137	2.5
131.04979	1.4
131.08578	2.8
133.02888	2.1
133.06493	2.7
133.10133	3.5
135.04462	1.4
135.08080	2.0
135.11700	1.9
137.05974	99.1
137.13269	1.0
139.11186	2.2
141.07013	1.0
143.04909	1.4
143.08549	2.1
145.06477	2.2
145.10138	4.5
146.03659	1.7
147.04454	6.2
147.11700	2.8
149.06010	1.6
149.09694	1.2
151.03877	5.7
151.07578	1.7
152.06195	1.2
157.10167	2.3
158.03653	1.6
159.11668	2.6
161.06000	8.1
161.09579	1.1
161.13217	1.5
162.06752	8.5
163.07494	1.1
165.07098	1.2
169.10129	1.0
171.04443	1.5
171.11623	1.4
173.05945	4.7
173.13269	2.2
175.03935	3.9
175.14867	1.7
177.05536	2.5
177.06966	1.9
178.07806	3.3
179.08536	1.7
183.08162	1.2
183.11687	1.7
185.06039	1.7
185.13188	0.9
186.03137	3.8
189.05467	3.0
189.07057	6.7
189.08693	1.0
190.07816	1.0
195.08073	1.5
195.11707	1.0
199.14969	1.4
201.05463	46.6
201.16484	1.4
202.07852	1.3
203.06982	1.1
203.08644	1.9
205.06474	8.4
206.07281	8.8
207.06525	2.5
207.08235	1.9
212.07117	1.3
213.05443	7.1
213.09010	1.3
217.06529	4.7
217.19743	1.1
218.07281	2.7
219.06281	5.4
219.08366	1.8
220.05232	1.0
221.06108	2.5
221.09763	1.4
222.06807	3.1
223.07687	1.7
223.14967	1.0
227.06950	1.4
227.17628	0.9
231.06496	5.6
233.05939	7.3
234.06726	22.2
235.07486	6.0
235.17007	2.5
237.09142	6.0
242.08098	1.9
244.05211	1.4
245.05923	6.3
246.06877	1.4
247.07611	1.3
248.08327	2.9
249.05478	2.0
249.09091	10.5
250.06267	5.9
251.07158	4.4
251.09744	0.9
253.12250	1.2
253.17996	2.7
259.07550	2.0
261.05521	4.2
262.06229	23.4
262.08762	1.6
263.06967	6.1
264.07755	4.0
265.05750	1.3
265.08582	11.7
266.09409	3.5
270.07648	4.8
272.04675	1.1
272.09219	2.0
273.05383	6.8
274.06290	2.2
275.07166	1.6
276.07925	2.8
277.08566	26.3
278.05884	2.8
278.09073	2.3
279.06580	4.7
279.10184	1.4
280.07278	1.6
281.11856	1.6
282.08707	1.2
287.07126	3.8
288.08698	3.6
289.05026	2.4
290.05719	26.8
291.06479	1.3
292.07245	4.8
293.08072	9.8
294.08801	4.7
295.06265	1.4
295.09607	3.1
297.11172	3.2
304.07364	2.5
305.08072	45.6
306.08749	3.7
307.06058	2.4
307.09683	14.2
309.11298	4.9
319.09613	5.3
322.08362	4.0
322.11505	1.2
323.09338	1.3
324.12375	3.5
325.10696	43.4
326.11130	1.0
337.10687	100.0
338.11166	3.3
339.08707	2.0
339.12354	2.4
352.11716	1.7
355.11746	8.2
401.37115	0.9
441.15573	2.1
471.16492	4.2
483.16309	3.9
501.17599	48.7
502.17624	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	500.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29126	3.1
55.05505	9.6
57.03446	7.2
57.07063	5.8
57.43995	2.5
67.05508	37.2
69.07057	13.9
71.08609	4.3
71.53609	4.5
81.07056	5.7
83.08622	12.9
85.38734	2.6
93.07034	3.3
97.10162	8.8
108.83507	3.1
109.10170	37.2
111.11755	4.1
130.73430	3.3
173.11748	18.1
187.73999	3.0
201.33572	3.2
229.14348	100.0
237.22173	3.2
255.49104	3.5
311.25812	86.1
312.26370	3.3
380.85031	3.4
404.51981	3.6
432.08182	3.3
465.35770	59.7
501.33450	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1755
Annotation	Gliocladinin B
Peak:m/z	Relative Intensity
53.03944	0.7
55.01863	1.1
55.05497	0.9
57.03427	0.9
57.25303	0.4
61.02908	0.6
64.49640	0.4
64.74706	0.4
65.03936	0.8
66.08241	0.4
67.05492	1.3
68.99783	1.9
69.03433	3.7
69.07057	1.6
70.06605	0.9
71.04980	1.0
71.42195	0.6
71.42522	0.6
73.02913	0.4
79.05495	2.7
81.03422	3.6
81.06596	0.5
81.07059	8.6
83.04974	1.6
85.02909	7.0
85.06551	0.9
86.09692	0.6
87.00821	1.2
91.05473	3.1
93.07056	3.0
95.04951	1.9
95.08592	2.5
97.02897	3.3
97.06532	1.0
97.10164	0.5
99.04443	1.0
103.05498	0.6
105.03374	0.6
105.07042	3.2
107.04941	2.6
107.08577	2.0
109.02898	2.6
109.06525	8.2
109.10136	1.9
111.04419	1.1
111.08050	0.7
115.05466	1.2
117.07028	0.8
119.04919	1.8
119.08572	2.0
121.02835	1.2
121.06495	1.1
121.10151	1.5
123.04454	0.8
123.08050	3.3
127.03905	3.5
131.04869	0.6
131.08560	0.9
133.02815	0.5
133.06509	1.0
133.10126	1.0
135.04411	1.6
135.08009	0.8
135.11635	0.7
137.05971	1.1
137.09612	1.1
139.00238	0.6
139.11166	0.6
145.04962	1.3
145.06496	2.8
145.10138	0.9
147.04417	5.5
147.08040	0.6
147.11638	1.0
149.02382	1.2
149.05991	2.1
149.09622	0.7
149.13220	0.5
151.07498	2.5
153.05479	1.0
159.02928	0.6
159.04428	0.7
159.08095	0.7
159.11746	1.1
161.09601	1.0
163.03931	0.5
163.07535	1.0
163.11139	0.5
165.01813	2.3
167.03426	1.8
173.05992	1.1
173.09634	2.1
175.03908	0.5
175.07558	0.7
176.04651	0.9
177.01836	10.3
177.05455	5.3
179.03397	1.0
179.10643	0.5
180.78590	0.5
183.02914	1.2
191.03352	0.8
191.07056	2.0
195.02806	0.7
195.06512	3.6
198.12738	0.5
199.14861	0.5
201.05504	2.9
217.15910	0.5
219.06532	100.0
220.06915	2.4
235.16957	1.7
237.07590	7.4
245.08072	1.1
253.18051	0.9
285.07620	0.7
297.11362	2.0
307.63904	0.5
339.12283	52.6
340.12576	3.1
361.25085	0.5
415.19354	0.8
501.17102	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	500.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40131	1.8
53.03938	3.7
55.01867	2.0
55.05495	6.5
57.07070	1.7
61.02911	1.9
67.05507	8.2
69.03416	6.1
69.07069	26.8
70.00518	6.2
70.06588	4.5
71.04974	2.2
72.08150	1.6
73.02911	5.1
77.03924	2.2
79.05487	8.2
80.56685	1.6
81.03416	11.5
81.07040	11.7
83.04982	3.6
83.08622	4.3
84.04507	2.4
84.08154	2.3
85.02897	9.7
85.06523	1.7
86.09653	1.8
91.05477	7.6
93.07040	7.6
95.04982	3.3
95.08600	8.5
97.02892	3.8
97.06535	3.2
98.21430	1.9
99.04465	1.9
105.03411	4.2
105.07053	9.7
106.07320	2.4
107.04979	3.1
107.08579	7.1
109.02873	15.4
109.10168	9.8
111.04399	1.8
117.07006	5.1
119.04943	3.0
119.08562	6.3
121.02908	2.0
121.06514	4.2
121.10136	7.2
123.04427	26.4
127.03940	15.5
128.06224	2.2
129.07004	4.7
131.08513	5.0
133.02855	7.6
133.06503	2.2
133.10141	2.9
135.04405	32.7
135.11749	1.9
137.02327	2.3
137.05994	7.9
142.07761	2.3
143.08539	7.2
145.04938	2.5
145.06487	4.6
145.10098	4.8
147.04378	8.3
147.08035	2.1
147.11662	3.8
149.05945	6.7
151.03915	22.9
155.08588	2.8
157.06482	2.3
157.10153	7.9
158.98625	1.7
159.04388	3.9
159.08046	5.2
159.11682	2.9
161.02336	18.0
161.06006	9.6
161.09631	2.7
163.03899	13.4
163.07578	7.4
167.03456	4.1
169.10133	2.1
171.08112	4.5
171.11580	2.2
173.05965	5.9
173.09555	5.8
174.09917	2.6
175.03926	5.1
175.07570	21.8
177.05449	4.4
177.09096	4.2
179.03398	94.8
181.04955	8.1
183.07994	2.7
185.09578	8.9
187.03917	1.9
187.07532	10.7
187.11131	3.0
189.05469	2.2
189.09120	11.9
191.03346	2.6
191.06978	2.1
193.04984	4.2
193.08557	4.3
195.08105	1.8
197.09642	4.2
199.14853	16.0
201.09125	20.1
201.16475	2.3
203.10799	2.0
205.04965	5.2
207.06546	2.8
213.09100	27.3
213.12477	1.9
215.07068	1.8
215.10645	4.6
217.05040	3.8
217.08717	3.9
219.06509	6.8
219.10217	1.7
221.08032	24.3
227.10669	7.3
227.14296	8.4
229.08656	8.1
229.12184	2.2
229.15800	2.6
231.10159	2.2
233.08060	7.8
235.09618	3.5
237.12718	6.7
239.14268	2.4
240.11339	3.7
245.11763	2.1
247.09645	8.3
253.04596	2.1
253.12236	4.4
255.09926	3.4
255.13797	83.8
256.14160	3.8
257.15359	100.0
269.15445	5.2
271.09396	1.9
273.14630	3.5
285.14893	14.3
297.14828	14.4
303.15900	88.4
304.16251	3.7
315.15903	77.6
316.16281	1.8
333.16953	2.1
337.10861	2.4
338.10663	4.2
339.12402	1.9
478.80502	1.7
500.16440	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	500.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60659	2.6
54.13355	2.9
55.05513	3.7
57.03439	2.6
59.73050	2.6
65.03947	3.2
67.05484	8.9
69.03424	16.6
70.06592	24.9
70.79299	8.2
71.04993	6.3
72.08142	11.0
81.03413	11.0
81.07033	3.6
82.06560	7.9
83.04968	8.1
84.05299	3.0
84.08147	6.9
85.02908	29.9
85.06532	3.7
86.09708	10.5
91.05463	4.6
95.04930	3.8
97.02894	13.3
99.04442	4.3
105.07026	4.5
107.08555	4.0
109.02875	6.9
116.07077	3.6
116.95538	2.3
119.04964	3.9
119.08595	3.1
120.08100	9.9
121.02851	3.5
127.03912	6.3
128.07076	54.7
129.10207	3.0
130.06506	17.9
132.08107	3.9
136.07520	5.3
142.06476	18.1
143.07291	8.6
144.08076	28.4
145.04944	7.4
146.06126	4.5
147.04453	3.9
149.09550	2.8
153.12749	2.6
156.08067	13.1
158.05937	2.8
160.07579	4.4
167.07336	5.2
167.30400	2.7
168.08084	5.9
169.07455	2.6
169.08813	11.7
170.09665	4.6
172.07567	47.2
173.09514	3.2
175.03879	5.1
177.05519	3.5
181.08876	29.9
182.09637	35.6
183.10391	6.5
184.11182	31.3
193.04950	6.6
194.09660	14.5
195.10275	4.4
196.11211	23.8
198.09108	3.5
198.12788	4.3
200.10736	6.4
201.94585	2.5
202.12277	11.5
203.37598	3.1
207.06563	16.7
212.10698	89.0
213.11003	4.3
214.12256	100.0
220.13400	4.9
224.10585	5.1
226.12227	8.8
228.13840	6.1
230.11786	18.5
232.13350	28.5
238.15944	5.7
242.11777	19.8
244.13399	15.6
246.14607	2.9
252.12338	7.6
252.58122	3.0
254.15430	16.6
256.16916	18.5
262.14468	23.7
266.15427	19.9
268.16745	2.7
272.16348	11.1
284.16379	37.9
302.17493	90.9
303.17688	4.2
320.13278	3.4
320.14816	4.1
320.18518	40.0
332.13400	3.8
337.18362	4.1
338.19354	10.3
424.19345	5.1
436.00781	3.0
446.21652	5.9
464.22748	36.2
482.23807	4.3
500.18155	4.4
500.24866	6.5
501.13544	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	500.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01361	2.3
53.03939	3.6
55.01869	13.4
55.05534	2.8
57.03410	3.4
57.07079	5.4
59.04982	3.8
60.04519	4.2
65.29531	2.1
67.05499	4.2
69.03426	16.2
69.07080	6.4
69.78175	14.6
70.02953	8.0
70.06599	23.6
70.70400	2.7
71.04986	6.5
72.04520	21.5
72.08145	4.8
72.96574	2.5
73.02917	12.4
74.02454	2.4
74.06080	3.0
81.03413	23.9
81.07018	2.8
83.04997	12.0
84.04523	4.0
84.08137	5.6
85.02913	23.0
85.06549	10.1
86.09705	8.3
87.04437	3.3
90.05555	37.4
91.05433	3.6
93.07056	2.7
95.04980	11.8
95.08652	2.5
96.08115	3.1
97.02901	18.5
98.02407	17.8
98.20842	4.2
99.04454	8.7
100.02231	2.7
100.03986	9.3
103.03957	2.6
103.07587	3.1
105.03387	2.7
109.02869	33.8
112.07615	4.4
113.05993	8.8
116.03445	22.0
116.07111	4.3
119.04968	2.3
120.01184	5.9
120.79236	3.0
121.02845	3.9
124.07571	21.9
127.03916	25.7
128.07118	3.0
129.05486	2.8
129.10240	4.2
130.08607	2.3
130.61482	2.4
132.06573	10.0
136.06331	2.0
136.07582	6.5
137.06036	2.9
142.08640	16.5
145.02916	3.2
145.04970	6.1
147.04388	6.4
152.07079	2.5
153.06834	2.2
154.05035	9.4
156.04776	9.0
160.09709	7.1
162.02122	2.4
162.04129	3.9
163.04146	2.6
164.06999	3.3
165.05565	4.9
166.08640	5.1
167.07036	4.1
172.09721	5.6
174.11227	3.5
176.07083	3.4
177.05496	3.7
184.09673	40.3
184.11185	4.1
185.49405	2.5
199.05963	4.1
202.05432	11.7
202.10732	100.0
207.06462	2.7
211.09657	8.3
216.08780	4.1
217.07034	6.4
220.11760	25.3
230.10182	15.3
234.07883	10.1
234.09763	6.4
237.52760	2.5
252.09004	10.2
257.15417	2.6
262.12830	17.3
310.12863	10.8
317.12363	7.9
328.13910	57.8
338.11984	2.9
339.11749	3.1
346.15045	16.9
352.15970	4.1
364.15976	34.8
500.19122	2.7
500.28680	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01873	0.7
57.06623	0.3
57.07062	0.5
60.04522	0.3
67.05492	0.6
69.03441	1.3
69.07076	0.3
69.84326	0.8
69.84756	0.8
70.02940	0.4
70.06590	1.6
72.04515	1.0
73.02915	0.8
74.06075	0.3
81.03410	1.5
81.07068	0.4
82.06560	0.3
83.04968	0.5
83.06110	0.3
84.04557	0.3
84.08113	0.6
85.02907	2.1
86.09698	0.3
87.08149	0.3
90.05553	1.8
91.05474	0.6
94.04173	1.0
95.04963	0.5
96.08107	0.3
97.02939	1.3
98.02418	0.9
99.04461	0.4
107.04927	0.6
109.02889	1.7
113.06014	1.1
116.03474	1.2
116.07088	0.3
120.01178	0.5
121.06512	0.3
122.03650	2.6
124.07587	1.2
127.03895	1.7
128.07118	0.5
132.06496	0.3
136.07573	0.4
137.05981	100.0
138.06332	1.3
138.40776	0.3
140.10718	0.4
142.08633	0.7
143.10667	0.7
143.71951	0.3
145.02846	0.4
145.04950	0.7
147.04407	1.0
149.05995	0.8
151.07564	0.6
156.04781	0.6
158.11772	1.0
163.03857	0.3
166.08659	0.3
177.05502	0.8
179.07022	1.2
181.06509	1.1
184.09683	2.0
199.06076	0.4
202.05400	0.4
202.10733	4.4
209.05815	0.4
211.09680	0.4
211.72765	0.3
211.74728	0.3
213.09097	1.0
217.07008	0.3
220.11829	1.2
230.10295	0.5
234.07877	0.8
234.09895	0.4
241.08603	0.9
252.09047	1.1
253.08566	0.6
262.12878	0.9
273.11206	4.1
285.11093	1.9
303.12332	1.0
307.09024	0.4
308.29575	0.3
310.12674	0.4
328.13910	3.0
339.11951	0.5
346.15158	0.5
364.16135	1.4
419.42993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43695	0.6
53.03936	1.0
55.01887	0.8
57.03450	0.7
65.03928	3.1
67.05508	1.5
68.99809	0.6
69.03426	5.7
69.07060	1.7
70.06597	4.6
71.04996	1.8
71.05402	0.9
71.05736	0.6
71.33176	0.6
72.08147	1.7
73.02904	0.7
79.05508	1.7
81.03424	7.3
81.07044	1.7
84.04501	1.0
84.08140	2.4
85.02914	6.6
86.09692	2.0
91.05473	2.0
93.07035	1.7
95.04990	3.3
95.08587	1.4
97.02909	3.1
97.06555	0.9
99.04460	1.3
105.03377	1.5
105.07029	1.8
107.04948	1.1
107.08581	1.7
109.02863	3.4
109.10159	0.7
111.04445	2.0
112.99300	0.6
114.84798	0.5
119.08584	0.9
120.08096	0.8
121.02871	76.4
121.10153	1.2
122.03200	1.3
123.11737	1.0
127.03934	2.4
128.07025	0.7
130.06676	0.6
131.07318	0.9
131.08554	0.6
132.08087	1.3
133.10146	0.8
139.03906	3.7
145.10112	1.0
146.06030	2.6
147.04388	1.3
149.09636	0.7
157.08833	0.8
159.06802	5.6
160.07603	0.9
172.11177	1.3
173.08359	3.5
174.05536	1.9
174.09143	32.2
175.04028	0.9
175.09483	1.0
181.01418	0.9
184.07588	1.1
186.09183	3.6
188.10710	1.0
193.05121	0.8
198.09180	2.6
200.10706	16.5
202.08537	0.9
207.06534	1.3
210.09137	0.9
214.08510	0.7
216.10300	2.1
218.11763	79.3
219.12103	1.8
220.09682	1.0
226.08672	1.1
228.10210	8.8
230.11732	1.2
240.10307	0.8
252.16495	0.8
258.11328	1.4
260.12830	2.7
265.06906	0.7
300.08685	1.0
302.21875	0.8
308.12738	0.9
326.14066	1.1
336.14304	7.0
336.17416	0.7
337.10648	1.5
338.11166	4.4
344.14847	0.9
362.16190	0.9
380.17020	22.7
456.16534	1.5
482.18387	1.3
500.19125	100.0
501.19434	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	499.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.6
55.01861	8.9
55.05270	2.7
55.05511	34.9
57.03193	2.5
57.03438	32.2
57.07064	9.4
61.02925	51.5
65.03917	5.1
67.05505	92.8
69.03085	2.6
69.03432	39.8
69.06741	2.2
69.07069	39.3
71.01366	5.0
71.04973	8.0
71.08630	3.2
73.02917	27.0
75.04492	2.4
75.42350	2.1
79.05488	28.8
81.03419	23.8
81.07057	100.0
83.04974	9.6
83.08621	22.3
85.02908	66.1
85.06539	3.6
91.03959	37.9
91.04970	3.3
91.05479	30.0
93.07048	33.5
95.01313	2.9
95.04955	8.3
95.08607	83.1
97.02895	51.4
97.06527	6.8
97.10170	11.0
99.04446	9.8
99.08119	4.0
101.02390	13.8
103.03939	7.9
105.07036	21.2
107.04983	2.9
107.08601	18.7
109.02889	10.1
109.06512	3.3
109.10164	34.4
111.04436	3.7
113.09596	4.8
115.03928	6.4
117.06982	6.1
119.08568	18.4
121.06485	3.5
121.10164	18.9
123.08096	3.5
123.11699	13.8
127.03900	21.3
127.11179	3.2
129.05492	4.8
129.06941	2.2
131.08578	7.3
133.06448	3.6
133.10097	11.4
135.08051	2.7
135.11684	10.4
137.09592	2.7
137.13231	6.7
139.11116	2.4
143.08557	3.2
143.52861	2.2
145.04941	7.8
145.10120	7.0
147.07983	3.8
147.11662	10.6
149.13226	7.1
151.14786	5.2
157.10089	5.0
158.06012	3.5
159.06482	3.5
159.11674	3.0
161.05937	6.9
161.13232	10.1
163.14819	5.6
173.13254	4.6
175.11292	2.2
175.14824	7.0
177.16379	2.7
179.17923	2.8
183.06569	3.8
183.11633	2.5
187.14809	2.2
189.16339	5.7
193.15923	2.5
200.10713	17.7
201.07574	5.1
229.58975	2.5
245.22649	13.7
263.23727	27.8
275.23676	2.6
305.24661	3.2
321.24350	3.0
329.24478	2.8
335.25568	3.3
337.27365	84.6
338.27585	3.9
347.25482	3.0
357.76166	2.3
365.26962	4.9
371.25809	3.6
445.29291	5.9
463.30423	3.7
464.30884	2.6
481.31558	5.9
499.32635	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	499.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07790	2.8
52.70021	2.4
53.03935	8.1
53.25816	2.6
53.50381	2.5
55.01872	5.0
55.05507	29.5
57.03430	26.3
57.07066	9.4
61.02925	73.8
65.03924	4.2
67.05502	86.1
69.03429	41.1
69.07067	41.4
69.33645	23.0
71.01345	7.3
71.04984	7.0
71.08603	2.8
73.02919	35.6
79.05490	29.8
81.03418	27.6
81.07053	98.7
82.52135	2.3
83.04973	7.6
83.08608	23.7
85.02903	74.8
85.06522	3.4
85.49515	2.3
87.04456	4.7
91.03951	46.7
91.05466	21.5
93.07043	36.0
94.74602	2.7
95.04953	6.1
95.08607	80.9
97.02886	60.3
97.06507	4.8
97.10150	13.8
99.04471	12.1
99.08000	3.2
101.02363	16.0
103.03936	9.1
104.10760	3.9
105.07025	19.2
107.08581	21.9
109.02898	13.5
109.06496	3.4
109.09473	3.3
109.10157	33.1
111.04343	2.5
111.11702	4.6
115.03925	5.3
117.05492	2.8
117.07016	2.6
119.08574	17.9
121.10135	15.8
123.11723	12.0
125.09644	3.8
127.03908	29.2
129.05516	5.8
131.08591	4.1
133.10114	10.7
135.11687	13.2
137.13268	6.8
145.04927	12.7
145.10089	4.5
145.53059	2.6
147.11743	11.8
149.13269	8.5
150.13582	2.3
151.11076	2.7
151.14771	3.8
159.11606	4.3
161.13274	10.2
163.14801	7.7
171.11687	2.9
173.13252	2.3
175.14832	7.6
183.06505	5.4
184.07237	3.2
187.14937	3.5
196.79961	2.4
201.07578	6.9
201.16394	2.5
219.93164	2.5
245.22639	13.1
261.22104	2.5
263.23697	26.0
305.24814	4.5
332.54504	2.8
337.27347	100.0
347.26135	2.6
365.26669	4.8
371.25800	3.1
385.32172	3.7
407.28149	3.5
481.31451	4.4
499.32596	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	499.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.1
57.06594	0.4
57.07078	6.1
59.05002	9.7
61.96109	0.3
64.03806	0.3
67.05494	1.9
69.35793	3.3
79.05485	0.8
81.07041	1.3
85.06076	0.7
85.06550	8.0
91.05464	1.3
93.07039	2.3
95.08611	0.8
98.20744	0.6
99.81937	0.4
105.07007	1.4
107.08568	0.7
109.10171	0.6
115.05435	0.5
117.06969	0.6
119.04957	0.4
119.08585	1.5
123.11652	0.5
128.06256	0.4
129.07025	0.8
131.04904	0.7
133.06468	1.0
133.10120	0.6
135.11703	0.6
145.06448	0.5
145.10138	0.4
146.03656	0.9
147.04387	1.6
147.11668	0.5
159.04453	1.4
159.11685	0.8
161.05960	1.9
161.09590	0.6
161.13269	0.8
163.03918	0.5
173.05963	0.9
174.03133	1.6
175.03920	18.0
175.07596	0.5
176.04723	1.6
177.05513	1.9
177.12729	0.5
183.08087	0.5
187.03929	7.2
189.05469	51.8
190.06233	6.7
192.04100	0.7
199.03906	0.8
201.05518	1.1
201.08980	0.7
203.03400	0.7
203.07059	1.5
205.04752	0.4
206.96815	0.4
207.08170	0.5
208.17984	0.4
211.07545	0.4
213.05481	3.5
215.07059	0.5
219.06621	0.7
225.09099	1.0
229.08618	2.8
231.10162	1.8
241.08603	1.6
243.10162	10.0
245.11972	0.4
247.09703	1.5
259.09683	2.3
261.11230	36.9
262.11731	1.1
279.12274	15.0
291.16165	0.6
305.17709	0.5
313.14343	1.4
325.18008	0.7
327.15546	0.4
363.18021	100.0
364.18359	3.1
367.22806	0.5
379.19193	0.5
395.22189	0.7
439.28781	0.4
481.30200	0.6
499.30554	57.0
500.30768	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	499.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.3
55.01863	2.9
55.05498	6.5
57.03430	3.5
62.63579	2.0
64.15183	1.8
65.03927	2.9
67.05502	15.6
69.03423	19.2
69.07072	18.0
70.06596	12.9
70.15329	1.8
71.04987	10.2
71.12412	4.3
72.08155	3.2
73.02898	3.4
79.05492	13.3
81.03422	29.8
81.07047	21.2
83.04961	6.3
83.08627	3.5
84.04521	2.6
84.08141	4.4
85.02917	20.1
85.06523	3.7
85.62820	1.7
86.09674	4.2
87.00826	2.7
89.06026	7.4
91.05473	15.9
93.07050	18.7
94.38737	2.0
95.04977	9.6
95.08597	12.7
97.02896	9.3
97.06525	7.1
99.04460	5.9
105.01850	3.9
105.03391	4.9
105.06381	2.9
105.07035	25.7
107.04945	5.8
107.08602	17.2
109.02862	18.3
109.06489	7.5
109.10168	9.9
111.04446	2.4
111.11707	3.8
117.07008	6.4
119.04954	3.8
119.08554	13.1
119.62073	1.7
120.87367	2.2
121.02835	9.4
121.06492	7.0
121.10132	9.6
123.04455	2.5
123.08045	5.9
123.11719	4.6
125.06007	2.4
125.09617	4.7
127.03930	20.2
128.06160	2.6
129.07037	4.9
131.04951	2.6
131.08557	6.9
132.09081	1.9
133.02859	20.7
133.06500	10.1
133.08592	3.4
133.10129	9.8
135.04376	5.2
135.08049	6.7
135.11682	4.9
137.05925	4.2
143.08604	2.4
145.04936	4.6
145.06459	8.7
145.10144	17.1
147.04405	8.7
147.08049	11.9
147.11685	8.0
148.03911	2.6
149.09610	6.0
151.03914	36.2
151.07532	2.4
151.11185	2.9
158.07190	2.8
159.04391	3.2
159.08049	6.7
159.11696	9.3
161.06000	4.0
161.09624	4.3
161.13266	2.7
163.11153	4.1
165.05441	3.6
165.09128	4.5
165.12773	3.3
167.07016	3.1
169.10121	2.3
171.08051	2.5
171.11638	3.4
173.05992	4.6
173.09584	15.8
173.13184	2.3
175.03859	5.7
175.11176	3.7
177.05473	5.3
181.04915	6.0
185.13223	2.2
187.07573	3.3
187.11174	6.5
189.05365	2.9
189.16463	1.9
191.06999	3.1
191.14351	2.4
193.04974	8.2
201.05432	2.2
205.04968	3.6
205.12247	8.6
207.06480	4.8
215.10654	17.2
215.14174	3.4
217.04956	10.9
219.06502	2.0
223.05878	3.6
229.14250	2.7
233.11739	100.0
233.15128	10.1
234.11996	2.9
247.06018	4.4
251.01701	2.4
251.12766	10.4
251.16405	8.5
277.07053	2.5
285.79721	2.0
325.09317	6.5
337.10745	19.2
377.05322	2.5
377.16049	4.8
395.17087	10.7
413.17776	2.4
499.15704	8.9
499.21423	9.2
515.71436	2.1
522.26801	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.16
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.2
67.05465	0.4
68.99790	1.4
69.03406	0.3
69.07027	0.2
70.06569	0.2
70.97346	0.2
70.97689	0.3
79.05464	0.3
81.03380	0.4
81.07067	0.9
84.24673	0.1
85.02881	0.2
85.06512	0.2
91.05447	0.5
93.07010	0.2
95.01318	0.2
95.04946	0.5
95.08597	0.2
97.02858	0.2
105.07013	0.8
107.08582	0.2
109.02872	0.2
109.10137	0.3
111.04409	0.4
117.06969	0.2
119.04920	0.5
119.08540	0.4
121.02864	7.0
121.10111	0.2
131.08566	0.2
133.10074	0.3
133.16370	0.1
135.11691	0.2
145.02826	0.2
145.06512	1.4
147.11734	0.4
161.05843	0.2
163.03865	1.5
173.05997	0.3
175.07521	0.5
192.04077	0.2
199.07571	0.2
201.05466	5.5
216.10220	0.2
217.08575	0.3
219.06537	0.6
231.60501	0.2
276.07864	0.5
277.08652	0.2
279.06482	0.2
283.05997	0.7
293.08130	0.9
304.07312	0.3
305.08032	0.5
307.05988	3.7
308.06778	0.6
309.07413	0.3
319.09653	10.9
320.10059	0.4
321.03802	0.4
321.07590	6.8
322.08353	6.9
323.08627	0.2
335.08972	0.3
336.06329	1.4
337.10690	100.0
338.11044	2.8
369.58148	0.2
392.82928	0.2
480.81754	0.2
499.15967	13.1
500.16275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1598
Annotation	CHEBI:66840
Peak:m/z	Relative Intensity
53.03933	0.3
55.01854	0.2
57.03421	0.4
61.02919	0.2
67.05502	0.2
68.99796	1.0
69.03411	0.8
69.07064	0.2
70.00924	0.7
70.06567	0.2
77.52508	0.2
79.05480	0.3
79.08598	0.1
81.03397	0.7
81.07049	1.0
84.08150	0.2
85.02509	0.2
85.02911	1.7
88.66376	0.2
91.05466	0.3
93.07012	0.3
95.04930	0.3
95.08587	0.4
97.02876	0.7
98.21453	0.2
99.04423	0.3
105.07004	0.6
107.08591	0.3
109.02853	0.4
111.68919	0.2
117.07021	0.2
119.04914	0.4
119.08588	0.2
121.02863	5.4
123.79387	0.2
127.03888	0.6
145.04926	0.3
145.06456	1.1
145.10168	0.2
147.11670	0.2
163.02638	0.2
163.03853	1.2
175.07550	0.4
191.03368	0.2
199.07489	0.2
201.05452	3.7
201.07217	0.3
202.05978	0.2
207.06535	0.2
215.10738	0.2
219.06503	0.5
283.06088	0.4
293.08148	0.8
295.05942	0.3
304.07254	0.2
305.07986	0.4
307.06003	2.4
308.06772	0.3
319.09647	7.8
320.09863	0.3
321.07578	4.4
322.08322	5.9
336.06277	1.0
337.10675	100.0
338.11084	3.0
413.17603	0.2
424.15912	0.2
499.21417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39118	0.1
55.05477	0.3
61.01107	0.2
65.03905	0.2
67.05466	0.3
68.17504	0.2
68.99775	1.1
69.03403	0.2
69.07040	0.3
69.51025	1.1
81.07054	0.9
85.02856	0.2
91.05422	0.6
93.07008	0.5
93.30184	0.1
95.01271	0.2
95.04942	0.3
95.08556	0.4
98.21606	0.2
105.06967	0.5
109.06464	0.2
109.10114	0.2
117.06982	0.4
119.04928	0.2
121.02862	6.0
121.03722	0.2
126.34654	0.2
129.07002	0.2
129.10281	0.2
135.11679	0.2
143.08452	0.3
145.02748	0.2
145.06511	0.9
149.07443	0.3
158.05977	0.5
163.03885	1.4
173.05934	0.2
173.13280	0.2
175.07571	0.4
177.05342	0.2
183.06735	0.4
184.09477	0.2
185.13235	0.2
197.40787	0.2
198.09105	0.9
199.07355	0.2
201.05457	4.3
207.06613	0.2
216.10130	0.6
219.06459	0.6
229.04906	0.2
244.05959	0.4
245.06407	0.2
273.05954	0.4
276.07895	0.3
279.06369	0.2
283.05957	0.4
291.78802	0.2
293.08124	0.7
295.05942	0.2
305.08212	0.5
307.05951	2.6
308.06702	0.4
309.07458	0.2
319.09622	9.1
320.10141	0.4
321.07581	4.7
322.08328	6.5
335.09067	0.2
336.06259	1.0
337.10675	100.0
338.11023	2.6
369.21912	1.1
467.11972	0.3
481.26120	0.2
499.15942	13.5
500.16449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	9.5
62.28333	1.6
70.06594	3.9
71.51349	3.0
71.55582	1.7
84.96023	3.5
85.02917	3.1
91.05437	2.4
97.02904	3.1
98.97597	14.2
101.00893	7.4
103.02460	7.9
105.03368	10.3
109.02852	1.7
110.97575	2.3
113.00912	4.2
116.98637	9.3
119.01918	28.4
119.04993	2.6
121.03496	4.5
127.02414	5.2
127.03943	2.5
128.98601	3.1
131.01878	18.4
134.99670	5.6
137.03017	5.5
139.02483	2.4
143.01872	13.2
145.03477	44.7
146.99675	4.2
147.01393	5.3
147.04396	4.5
149.02922	5.4
155.01891	24.0
157.03461	16.8
158.99695	4.4
161.01443	3.7
161.02975	26.2
163.04546	7.0
167.01978	6.4
168.05095	2.1
169.03455	3.6
170.99713	2.8
171.01402	6.3
173.01714	1.6
173.02988	46.2
175.00897	2.1
175.04488	3.9
177.00737	7.1
177.05518	4.9
179.02156	2.4
185.02954	44.1
187.04514	6.9
189.00795	4.6
189.02446	9.4
191.02336	2.6
191.04034	4.9
193.00334	2.4
193.01976	5.8
196.04480	2.6
197.01346	2.6
197.02977	16.4
199.00900	4.4
199.04608	3.6
201.00780	5.8
201.02487	2.8
203.02257	4.1
203.04022	14.3
208.04544	3.3
212.04343	1.9
213.00793	2.1
215.02237	4.1
215.04082	10.9
216.98738	2.5
217.01930	46.0
219.01744	11.9
221.05112	5.2
227.03958	9.5
229.01852	10.7
235.03008	26.0
237.02852	7.8
243.02063	2.4
245.05084	100.0
246.05186	5.1
247.02951	13.7
253.04080	3.0
253.12891	5.0
257.05200	9.6
258.04675	3.3
261.02936	9.4
263.06140	11.7
275.06244	11.8
277.04001	18.0
279.03949	5.4
289.13016	2.0
293.07196	5.4
297.11884	2.8
301.04053	12.9
305.07248	9.7
315.12857	2.7
319.05057	22.6
321.04889	5.7
333.11710	2.1
335.08099	3.1
337.06165	27.8
337.09964	2.8
351.12625	4.1
365.09436	8.9
377.10748	2.9
395.12109	2.8
413.12738	3.5
499.11234	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96792	1.4
55.01868	2.8
55.05498	4.9
56.05014	3.1
57.07064	4.0
58.83001	1.6
60.04529	67.7
65.03923	1.7
67.05507	10.8
68.92149	1.6
69.07056	4.6
69.26098	16.8
69.89579	1.6
71.08628	2.8
73.61555	1.6
79.05494	7.9
80.05004	2.7
81.07076	8.4
82.06583	15.5
83.04958	1.9
83.08607	6.8
85.06491	2.1
90.05600	2.0
91.05492	5.7
92.86853	1.5
92.96429	1.4
93.07053	15.3
94.06573	17.2
95.04963	14.5
95.08595	5.6
96.08157	2.4
97.06520	2.8
97.08708	1.4
97.10183	1.8
98.09690	5.0
98.20789	3.1
103.05447	1.8
108.08115	5.2
109.06522	2.6
110.06027	2.2
110.09699	11.5
111.08065	3.0
112.07613	3.0
120.08123	6.2
121.06519	7.6
126.09150	9.5
138.09145	43.3
139.07539	5.8
144.10156	2.5
156.10207	28.4
174.11252	7.5
281.24860	1.5
323.40253	1.7
342.33481	2.8
395.60858	1.8
450.39465	2.6
462.39755	1.9
480.08173	1.8
480.40448	27.8
498.20187	7.3
498.41571	100.0
499.41934	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	498.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
55.05502	4.3
57.07072	1.3
58.06604	15.5
60.04516	2.9
64.00830	1.0
65.03946	1.1
67.05499	5.3
67.83533	1.0
69.07064	7.9
71.53133	1.5
75.22452	1.2
79.05490	3.6
81.07063	11.8
83.04984	21.0
83.08611	2.7
84.08149	2.2
84.29652	1.2
85.06551	6.7
91.05492	4.3
93.07042	8.0
95.05004	1.3
95.08618	8.0
96.08083	1.1
97.06526	1.2
100.07588	5.8
105.07008	8.4
106.07398	1.1
107.08585	9.9
109.10162	9.7
114.09166	2.1
117.07039	2.2
119.08588	8.1
120.83060	1.2
121.10189	7.3
123.08108	1.3
123.11739	3.5
125.09621	7.5
125.22575	1.0
128.77718	1.1
129.07028	1.3
131.08574	3.7
133.10139	4.9
134.45523	1.2
134.56761	1.1
135.11705	7.9
137.13286	2.5
143.08594	1.9
145.10149	5.0
147.11729	2.9
149.13223	2.6
157.10120	2.2
159.11720	7.3
161.13312	5.7
171.11717	4.7
173.13292	4.3
175.03928	2.7
175.14806	2.3
183.11752	1.6
184.13266	2.9
185.13313	2.9
187.14845	5.3
189.09105	1.5
189.16331	2.5
199.14830	1.9
201.16412	2.7
203.18190	1.3
213.16405	2.7
215.18027	2.2
221.15456	1.4
225.16454	1.6
227.17903	2.2
229.08783	1.3
229.12363	1.2
229.19600	3.9
233.19128	1.4
237.51627	1.4
239.70874	1.4
241.08720	1.3
241.19600	2.6
243.34262	1.2
255.13771	1.3
255.21066	1.7
267.21078	1.9
273.14886	5.7
281.22766	1.3
295.13477	2.5
295.24164	1.5
309.18448	1.3
313.14386	4.9
327.15918	6.4
377.24716	7.9
395.25821	2.9
421.34467	5.8
439.35831	4.1
463.28436	3.1
498.39462	100.0
499.39874	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.5
55.05487	1.5
57.03434	5.4
57.07088	0.4
58.06600	27.3
59.04977	0.6
59.07384	10.0
60.08165	7.9
67.05186	0.4
67.05503	5.7
69.07066	2.7
69.28137	3.2
73.02905	0.9
75.04475	3.4
79.05490	2.0
81.07056	5.6
83.04935	0.7
83.08603	1.1
84.08134	0.5
85.02888	2.4
87.04470	4.4
91.05464	1.3
93.05457	0.4
93.07050	2.7
95.01322	0.4
95.04979	1.0
95.08599	3.9
97.06534	0.5
101.05975	0.4
101.73804	0.4
103.03960	0.4
105.05476	1.3
105.07006	1.3
107.08583	1.6
109.10139	1.4
119.08588	0.5
121.10166	0.5
123.11739	0.4
130.08633	0.4
131.07040	2.4
133.10101	0.8
135.11676	0.7
144.10185	7.2
147.11656	0.6
149.13249	0.7
155.16783	0.4
155.81482	0.4
162.11229	4.6
172.35709	0.4
209.90826	0.3
218.13823	0.5
232.86269	0.4
236.14923	100.0
237.15231	1.4
269.17551	0.9
272.95682	0.4
341.13968	0.4
463.30444	1.4
480.36823	24.1
481.37381	0.9
498.37906	74.9
499.38168	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41616	3.4
54.59583	3.2
55.05491	3.6
56.94574	3.7
59.04994	5.3
60.20834	2.8
67.05494	10.3
69.07068	6.0
69.83543	19.0
76.45838	3.7
79.05489	10.8
81.07057	100.0
82.46923	3.3
82.58295	3.6
82.95221	3.2
83.04974	2.9
83.85894	2.9
85.06552	3.4
88.25027	3.1
91.05494	15.0
93.07045	59.0
95.08598	19.2
102.25546	3.4
105.07036	22.6
107.08596	8.2
119.08584	18.4
121.10128	9.2
129.06960	4.9
133.10124	5.9
135.11694	14.3
137.13251	13.5
145.06494	5.0
155.08611	6.4
159.11743	4.4
161.13268	32.6
169.10210	4.0
171.04428	4.3
171.08191	4.6
175.03929	8.0
182.07372	4.3
183.04388	3.2
183.08031	5.5
185.09619	5.7
187.03922	3.4
189.09120	12.9
189.12697	5.9
197.09622	8.7
198.06718	5.5
199.03879	8.5
199.07542	5.0
201.05441	7.4
201.09048	6.7
211.07602	8.8
212.04739	3.8
213.05478	3.5
213.09096	8.4
215.10732	3.0
216.44739	3.4
224.08488	4.8
225.09041	15.4
227.07045	7.6
227.10683	7.9
229.08565	9.3
229.12263	9.6
238.10104	4.6
239.10619	5.3
239.14330	4.7
241.08577	14.9
243.10051	4.4
243.13710	6.3
251.10648	5.7
253.08679	25.7
253.12206	7.2
255.10208	3.3
255.13852	14.4
257.11453	3.4
257.15350	3.3
259.09564	5.2
267.13742	12.1
269.11942	3.2
269.15338	25.6
273.14832	44.7
280.10907	5.1
287.16400	21.1
295.13293	37.6
297.14761	5.7
313.10562	5.3
313.14313	94.8
327.15915	80.1
345.16980	10.8
403.26175	4.3
421.27490	40.7
431.25885	8.0
449.27188	17.9
463.28448	67.4
498.39581	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	498.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.6
53.63019	4.0
55.01871	8.4
55.05498	14.3
57.03425	9.7
57.07076	12.0
57.27814	4.4
59.05004	31.8
67.05495	19.6
69.03432	47.1
69.07074	29.5
70.06590	19.5
71.04995	11.1
71.08630	4.0
71.52113	7.3
72.95930	5.1
73.02908	7.8
73.06547	11.7
79.05497	7.8
81.03413	35.4
81.07066	25.4
83.04978	7.6
84.04510	5.6
85.02441	7.5
85.02910	99.9
86.09711	8.0
87.00835	44.6
87.04473	6.9
91.05483	16.7
93.07047	21.9
95.04982	8.5
95.08620	10.7
97.02895	56.0
97.06519	5.9
99.04453	17.5
105.01866	78.9
105.03382	6.0
105.05504	13.0
105.07014	16.7
107.08593	9.4
109.02882	40.8
109.06499	5.6
109.10152	8.8
110.09818	4.5
111.04466	6.6
111.11733	41.5
113.06601	4.0
117.06996	7.2
119.04890	6.0
119.08579	7.6
121.06461	5.7
121.10167	6.6
123.11709	5.3
124.03990	6.1
124.07572	4.7
127.03916	97.9
127.11199	8.2
129.12752	100.0
133.06490	7.7
133.10129	10.8
145.04942	29.3
145.06474	5.4
145.10110	15.1
147.04382	8.2
147.11641	9.1
149.13182	5.6
159.02881	12.9
159.11696	15.2
171.04405	14.9
173.09653	6.4
177.12755	11.9
186.19820	4.6
187.11172	9.4
189.05484	13.0
193.12354	3.9
194.12508	4.1
207.06429	6.8
213.03958	10.3
231.05002	18.9
243.15971	13.5
249.06082	12.2
269.17587	26.9
308.09924	5.6
337.10532	7.2
373.14142	7.5
388.98203	4.7
498.20016	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	498.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.6
53.63019	4.0
55.01871	8.4
55.05498	14.3
57.03425	9.7
57.07076	12.0
57.27814	4.4
59.05004	31.8
67.05495	19.6
69.03432	47.1
69.07074	29.5
70.06590	19.5
71.04995	11.1
71.08630	4.0
71.52113	7.3
72.95930	5.1
73.02908	7.8
73.06547	11.7
79.05497	7.8
81.03413	35.4
81.07066	25.4
83.04978	7.6
84.04510	5.6
85.02441	7.5
85.02910	99.9
86.09711	8.0
87.00835	44.6
87.04473	6.9
91.05483	16.7
93.07047	21.9
95.04982	8.5
95.08620	10.7
97.02895	56.0
97.06519	5.9
99.04453	17.5
105.01866	78.9
105.03382	6.0
105.05504	13.0
105.07014	16.7
107.08593	9.4
109.02882	40.8
109.06499	5.6
109.10152	8.8
110.09818	4.5
111.04466	6.6
111.11733	41.5
113.06601	4.0
117.06996	7.2
119.04890	6.0
119.08579	7.6
121.06461	5.7
121.10167	6.6
123.11709	5.3
124.03990	6.1
124.07572	4.7
127.03916	97.9
127.11199	8.2
129.12752	100.0
133.06490	7.7
133.10129	10.8
145.04942	29.3
145.06474	5.4
145.10110	15.1
147.04382	8.2
147.11641	9.1
149.13182	5.6
159.02881	12.9
159.11696	15.2
171.04405	14.9
173.09653	6.4
177.12755	11.9
186.19820	4.6
187.11172	9.4
189.05484	13.0
193.12354	3.9
194.12508	4.1
207.06429	6.8
213.03958	10.3
231.05002	18.9
243.15971	13.5
249.06082	12.2
269.17587	26.9
308.09924	5.6
337.10532	7.2
373.14142	7.5
388.98203	4.7
498.20016	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	498.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.3
55.05492	18.3
55.82491	4.3
57.03431	23.2
61.02927	42.4
62.03249	5.0
67.05508	63.6
67.69879	3.9
68.05820	10.2
69.03415	17.3
69.07062	19.3
70.89268	5.4
70.89599	7.5
73.02894	15.9
78.69070	3.9
79.05497	35.5
80.05814	9.0
81.03406	12.0
81.06635	6.1
81.07057	46.9
82.07391	12.7
83.08620	6.7
85.02901	39.0
85.06515	4.4
91.03960	26.8
91.05479	21.0
92.05809	7.8
93.07048	36.8
94.07394	9.4
95.04953	9.9
95.08592	38.6
96.08945	12.8
97.02875	30.4
98.03232	6.3
99.04443	9.0
101.02353	7.6
103.03969	6.5
105.02731	7.3
105.03386	100.0
105.07004	21.0
106.07360	7.2
107.08569	16.4
108.08900	4.3
109.10152	22.3
117.07005	9.5
118.07390	3.9
119.08579	12.9
120.08932	9.0
121.10123	14.7
122.10423	12.6
123.08128	4.2
123.11700	5.4
127.03915	13.2
131.08542	8.2
133.10115	10.7
134.10384	5.6
145.10123	9.6
147.11682	8.5
148.11940	5.5
150.13533	4.8
159.04417	7.6
159.11678	5.6
161.13289	6.4
163.03781	4.8
173.13245	4.9
175.03891	57.5
187.03935	36.4
189.09048	24.0
199.03821	10.2
203.03430	6.4
213.05276	5.3
226.06261	10.3
229.08534	23.2
241.08626	37.1
243.10085	13.1
247.09612	11.5
255.10139	10.1
261.22141	4.5
262.22549	6.5
269.07864	5.3
277.31348	4.4
295.13376	26.3
313.14297	59.7
335.25699	12.5
336.26175	32.5
435.17456	7.8
462.29218	4.9
498.31372	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	498.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.05505	2.0
67.05495	4.2
69.07040	4.2
69.49696	6.2
69.50120	7.8
78.12019	2.1
80.06850	2.0
80.71126	1.7
81.07044	2.2
81.29247	1.8
85.06532	1.7
86.62032	2.0
91.05492	2.4
95.04939	3.8
98.20818	3.4
100.55647	1.8
105.03391	100.0
105.04486	3.3
105.08646	1.7
106.62082	1.7
109.10120	2.2
114.93799	1.7
121.10168	2.7
123.04424	4.3
129.06996	2.3
131.04948	2.3
132.04440	1.7
147.04358	5.1
158.06049	2.0
159.04417	3.3
165.96980	2.0
175.03914	32.1
187.03909	14.9
189.05438	2.3
189.09100	21.1
199.03876	4.3
201.05515	2.9
203.03363	3.3
203.07082	2.7
207.10133	6.6
213.05356	2.4
214.08554	3.2
217.08615	2.3
226.06201	7.7
229.08575	16.4
241.08609	27.0
243.10132	10.0
245.08156	3.4
247.09662	8.2
255.10150	4.4
259.09579	2.8
280.23563	2.1
295.13202	11.1
313.14349	27.1
331.15393	2.0
435.17987	4.3
498.22360	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	498.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.05520	3.1
56.98038	1.3
59.05001	2.0
60.90788	1.4
66.20030	1.2
67.05496	2.9
69.07085	3.1
71.53398	2.0
81.07059	2.1
85.06548	2.4
91.05499	2.8
95.04954	10.5
105.03397	100.0
105.07088	1.8
106.03702	2.0
107.08579	1.6
119.04997	1.7
121.02917	1.6
121.10133	1.7
131.04932	1.8
131.08556	1.4
159.04449	2.4
163.03931	1.9
171.07907	1.3
172.88806	1.4
175.03911	30.8
177.05467	2.4
181.08850	1.7
187.03935	13.1
187.07530	1.5
189.05455	4.1
189.09178	7.3
195.08115	1.3
199.03912	2.7
200.10739	2.1
201.05470	3.0
203.03419	2.7
203.06905	2.0
213.05557	2.5
214.08617	1.7
215.07327	1.6
217.08646	2.1
226.06293	3.2
227.06943	1.7
228.07884	1.8
229.08661	9.4
231.10114	4.0
241.08614	17.0
243.10146	7.8
245.08109	5.0
247.09703	3.7
253.08665	2.2
258.07629	7.3
259.07764	2.9
260.08203	4.1
266.34009	1.4
273.32086	1.4
286.07083	3.1
287.07523	4.6
288.07736	5.6
295.13306	9.1
313.14319	24.7
435.18130	9.0
498.16574	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	498.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.01845	1.9
55.05503	12.4
57.03424	1.5
64.29097	1.0
67.05488	5.7
69.03418	7.8
69.07042	2.7
70.06589	70.3
71.04979	1.3
71.53091	1.5
72.08152	9.8
79.05470	3.6
81.03414	9.9
81.07041	6.7
82.06576	1.5
83.04976	100.0
83.08598	3.5
84.04497	2.5
84.08134	3.0
85.02899	18.4
85.06551	2.4
86.09710	7.0
87.00825	2.4
91.05460	6.1
93.07019	3.2
95.04958	2.9
95.08581	3.9
97.02877	8.9
97.06521	2.3
98.09664	2.0
99.04433	3.3
99.09189	2.3
100.07612	1.8
100.11246	22.5
105.07016	4.3
107.08582	2.7
108.04466	2.4
109.02876	6.5
109.06508	1.3
109.10140	1.2
110.06001	1.8
110.07162	1.5
111.04456	2.1
116.07083	13.5
118.06516	2.6
119.04921	5.0
119.08575	3.7
120.08109	2.6
121.10142	1.8
124.07586	1.8
126.09136	1.9
127.03919	9.1
127.08676	7.6
128.07069	3.3
129.10300	1.3
130.06544	3.8
131.07327	2.0
131.08470	2.0
132.04440	1.2
132.08070	3.5
133.10103	2.7
134.05981	3.7
135.04463	1.5
135.08054	1.5
136.07565	1.9
139.08612	2.8
142.39406	1.2
143.07256	1.7
144.08080	3.9
145.05002	1.7
146.06004	33.0
147.04388	5.7
156.08093	1.4
157.08888	2.7
158.06004	1.8
159.07953	2.2
159.09192	4.2
160.07607	2.5
161.05983	1.7
161.13269	2.8
162.05486	3.1
170.05951	2.1
170.09604	2.2
172.07562	4.6
172.11200	40.9
173.09268	6.2
173.11647	1.5
175.03873	6.3
177.05424	3.3
179.14232	1.6
182.09659	3.4
182.15393	6.7
183.06775	3.1
184.07487	2.6
184.11172	2.4
185.08449	1.7
185.16545	1.9
186.09114	1.6
187.08694	1.6
188.10718	3.3
190.12292	4.0
192.06558	1.6
198.09131	9.1
200.10696	43.9
201.09180	1.2
201.11057	2.2
207.06500	10.8
209.16486	9.1
210.09082	2.9
210.14832	7.1
211.09906	2.2
212.10716	3.3
213.12337	57.3
213.15811	2.5
214.12300	3.4
216.10187	12.3
218.11749	46.5
226.12209	3.8
226.19150	2.8
228.10231	8.2
233.11714	3.2
233.15297	1.5
234.11897	5.1
236.12767	27.7
242.11748	2.0
244.13283	6.1
246.11240	25.5
246.13931	1.6
246.14932	2.2
250.11340	1.6
254.15469	6.2
260.12677	1.6
262.14496	6.7
270.14761	1.4
272.16418	2.9
282.14874	7.4
286.15378	2.5
287.10278	1.4
300.15894	18.8
318.13449	2.6
318.16992	33.0
336.14664	1.5
336.18027	40.0
336.22061	2.0
378.19354	1.6
412.20044	1.4
426.19339	4.4
431.06534	1.3
435.33279	7.1
444.20474	3.2
453.34357	39.3
454.21185	3.4
462.21146	4.2
480.22275	6.0
489.19135	1.3
498.19595	12.8
499.22058	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01863	1.3
55.05511	8.2
57.03439	1.8
58.96576	0.6
60.04528	0.6
61.02922	1.7
61.80550	0.6
65.03933	1.0
67.05500	2.1
69.03433	8.2
69.07080	1.2
70.06590	14.2
70.98759	1.3
71.04980	0.8
72.08168	1.1
73.02909	1.3
79.05492	1.2
80.52377	0.6
81.03419	5.6
81.07063	2.1
83.04978	100.0
84.08114	1.0
85.02907	14.2
85.06534	1.2
86.09703	1.0
88.05834	0.6
91.05479	2.7
93.07038	1.0
95.04975	1.3
95.08621	1.3
97.02893	4.8
97.06550	0.6
99.04446	3.1
105.07039	0.8
107.04969	2.0
107.08582	1.2
109.02882	2.9
111.04461	1.0
112.07626	1.2
116.07124	1.9
118.06554	3.3
119.08549	1.2
120.08134	1.3
121.02875	2.1
121.10196	0.9
127.03917	5.9
127.08640	1.1
128.07094	1.4
129.05507	0.9
130.06537	2.1
131.07295	2.9
132.04431	1.6
132.08090	0.9
133.02841	0.6
133.05315	0.6
134.05991	5.2
135.04424	0.9
135.08092	0.7
136.07626	0.7
142.06467	1.2
143.07295	0.9
143.08510	1.2
144.08060	5.1
145.05009	2.6
145.08859	0.9
145.10031	1.0
146.06010	32.1
147.04399	1.5
147.06499	0.8
156.08134	1.2
157.08791	3.4
158.06039	2.6
158.09612	1.4
159.06851	1.0
159.08075	0.8
159.09251	1.6
160.07620	2.1
160.11200	1.2
162.05492	3.4
168.08145	1.1
170.06073	1.9
170.09691	2.5
171.06773	1.3
172.07587	7.4
172.11206	42.5
181.08923	1.0
182.09650	3.2
183.06721	5.0
183.10414	1.4
184.07608	4.9
184.11209	2.3
185.08398	1.0
186.05481	1.2
186.09091	3.1
188.10684	3.0
190.08749	0.8
190.12375	3.3
193.05031	1.6
196.07587	1.1
196.11253	1.7
197.08340	1.5
198.09151	8.5
198.12822	2.3
199.09937	1.9
200.10709	47.2
201.11156	1.3
207.05211	1.2
210.09206	2.9
210.12700	0.7
211.09973	2.3
212.10736	2.9
213.12325	7.5
214.08667	1.9
214.12277	3.3
216.10196	14.7
216.13663	0.9
217.08591	1.1
218.11760	50.8
219.06613	0.9
219.12154	0.9
222.07623	1.9
222.09369	1.4
224.10780	2.0
226.12259	3.9
226.15926	1.7
228.10153	8.0
230.11804	1.2
232.13441	0.9
234.11124	1.4
236.12770	26.3
240.10251	1.6
242.11812	5.5
242.15474	0.8
244.13338	10.7
246.11259	42.9
247.11781	1.0
250.11012	0.8
251.25587	0.9
254.15398	6.9
258.11292	1.0
262.14362	5.2
264.13864	1.0
270.14932	2.5
272.16412	3.9
282.14896	8.0
300.15927	22.1
300.19241	1.3
301.16287	1.0
318.16986	28.7
319.11862	0.7
336.18024	42.9
337.18234	0.9
358.12811	1.9
359.09744	1.4
376.13910	1.8
394.14975	5.2
398.18063	1.7
418.37811	0.7
480.22153	4.1
498.16656	1.4
498.23184	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	498.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
53.95952	2.0
55.01870	10.0
55.05506	3.6
56.05029	2.7
57.03429	3.9
57.07072	6.4
60.04506	5.0
65.03934	2.4
67.05500	5.9
68.05035	1.9
69.03440	17.2
69.07069	12.2
70.02950	6.0
70.06593	46.7
71.04988	6.6
71.51820	2.9
72.04514	28.1
72.08155	6.5
72.67664	1.8
73.02912	11.8
74.02431	2.0
74.06078	2.6
75.45383	2.0
79.05495	4.2
81.03426	20.5
81.07042	6.6
82.06568	4.3
83.04980	12.3
84.04501	5.8
84.08136	11.1
85.02907	17.2
85.06547	11.4
86.06075	2.6
86.09697	13.7
87.08082	4.6
90.05550	39.0
91.05480	5.1
93.07012	3.1
95.04969	14.1
96.08173	3.9
97.02878	15.0
97.33250	1.7
98.02416	17.4
98.06067	2.8
99.04453	12.2
99.17092	1.9
100.03992	6.3
100.07665	2.2
103.03942	2.2
103.07552	3.5
105.03402	3.4
105.07026	3.1
105.91178	1.9
107.04961	3.2
109.02877	33.8
109.06499	2.9
109.10112	2.1
110.07162	7.3
112.07600	4.3
113.06005	5.3
115.03882	2.0
115.08667	2.0
116.03451	23.6
116.07079	4.7
119.04918	3.6
119.82667	1.7
120.08158	2.3
121.02842	3.1
121.06571	2.6
122.06052	3.6
124.07599	28.5
126.05488	2.2
127.03925	19.6
128.07092	3.6
129.10237	4.7
130.08640	3.4
131.07068	3.0
132.06560	9.8
134.06052	2.1
135.04396	2.4
136.03941	1.8
136.07573	8.0
137.06024	2.9
138.05553	3.9
139.03940	2.8
139.07565	3.3
142.08647	20.9
145.04953	6.9
146.05957	2.8
147.04417	4.1
154.05026	2.0
155.07010	3.3
156.10278	3.2
158.04608	2.4
160.07544	2.4
160.09702	5.1
162.05547	3.2
162.09120	3.1
163.03931	2.0
166.08643	4.4
172.09714	7.8
172.11133	2.0
174.05602	2.9
174.11298	5.3
175.03947	3.1
178.05017	2.6
179.07103	2.2
180.06531	2.5
181.04953	3.5
184.09691	33.6
184.11353	2.2
186.09175	3.3
188.03807	3.6
197.08337	2.4
198.07578	5.3
199.05984	4.2
202.10748	100.0
204.10278	4.1
206.04601	2.2
207.06621	9.8
207.08218	1.9
211.09692	11.6
213.12372	5.1
216.08690	4.2
217.07060	5.0
220.11736	21.0
230.10187	15.2
231.09868	2.0
234.09767	7.7
236.05458	2.8
250.10680	2.5
262.12820	22.6
276.04807	2.5
290.05505	2.0
300.15930	2.9
310.12854	12.1
314.06863	2.3
314.17264	2.5
318.05945	2.6
318.16803	3.7
321.07645	2.9
328.13916	84.2
336.07098	5.6
336.10562	2.2
336.18176	2.2
346.14935	16.5
364.16055	31.9
366.15591	4.1
401.01334	1.9
447.71103	1.8
481.11188	3.1
498.16531	3.3
498.23199	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	497.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.4
55.01867	7.4
55.05514	31.8
57.03434	37.5
57.07067	5.2
61.02929	62.6
64.90855	2.6
65.03947	5.3
67.05503	100.0
67.43033	2.6
68.64832	2.3
69.03431	40.5
69.07077	23.6
69.83154	13.5
71.01355	5.2
71.04977	8.7
73.02917	35.5
75.04488	3.7
76.22501	2.4
79.05496	63.2
79.50568	2.2
81.03432	26.8
81.07056	95.3
83.04988	9.2
83.08616	10.6
85.02907	63.0
85.06546	2.7
87.04472	2.9
90.11614	2.2
91.03960	36.0
91.05478	45.5
93.07047	70.3
93.29922	2.2
95.01332	6.2
95.04981	15.5
95.08610	75.6
97.02893	52.6
97.06523	6.8
97.10184	4.8
98.21467	2.6
99.04440	12.6
101.02402	17.0
103.03944	9.4
105.03386	14.6
105.04447	2.2
105.07031	35.0
107.04950	4.3
107.08591	35.5
109.02882	12.9
109.06515	6.5
109.10155	32.4
111.08110	4.1
115.03948	5.2
115.05480	3.2
117.05509	4.4
117.07021	15.8
119.08590	28.5
121.06495	4.6
121.10124	30.2
123.08100	3.8
123.11705	10.9
127.03938	23.0
129.05490	5.9
129.06999	6.8
131.08577	24.7
133.06487	2.3
133.10110	18.8
135.11682	22.4
137.09660	5.3
141.06967	3.5
143.08562	8.2
145.04979	9.7
145.10138	14.8
147.11671	16.4
149.09624	4.9
149.13289	11.5
151.11247	3.4
155.08600	3.6
157.10184	5.4
159.08037	2.6
159.11702	11.9
161.05989	9.8
161.13292	9.5
163.11259	2.6
163.14842	5.2
168.62711	2.4
169.10274	3.4
171.11700	8.0
173.13292	11.4
173.86618	2.6
175.03929	9.0
175.11285	3.3
175.14867	3.8
177.12778	2.7
183.06560	5.5
183.11703	4.2
185.13205	4.2
187.14864	7.0
189.09138	5.6
205.15933	2.9
213.12627	2.6
229.08643	3.0
241.08585	5.2
243.21074	9.1
259.20612	4.2
261.22174	18.8
301.21896	3.1
303.23129	5.0
313.14267	7.0
315.23108	3.4
323.23532	2.4
327.23181	4.3
335.25818	74.9
336.25922	3.3
345.24161	2.9
363.25455	4.2
369.24112	3.7
387.25348	3.6
443.27673	5.0
461.28656	6.2
479.30023	5.4
497.30923	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	497.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.1
53.56059	2.5
54.77669	2.7
55.01883	5.0
55.05500	8.4
57.07062	2.9
65.19587	2.7
67.05505	21.9
68.24657	2.7
69.03419	7.2
69.07072	9.7
69.37990	13.6
69.38420	9.8
79.05497	31.6
81.03444	13.6
81.07044	19.6
83.04966	3.9
83.08615	5.5
91.05486	38.6
93.07065	22.4
95.01331	89.2
95.04974	37.9
95.08628	7.7
97.02865	3.3
97.06561	3.5
99.72463	2.8
103.05471	8.1
104.29092	2.5
105.07034	72.9
107.04938	9.0
107.08585	11.4
109.06518	10.3
109.10162	6.0
111.08065	11.4
115.05474	6.9
117.07023	17.7
119.04936	5.3
119.08601	29.0
121.02875	7.6
121.06500	10.2
121.10145	6.1
127.09203	2.5
128.06256	14.6
129.07024	18.3
130.07829	5.7
131.04918	4.7
131.08568	28.3
133.06511	31.2
133.10130	15.0
134.05989	6.4
135.08090	4.0
141.06972	7.7
142.07784	10.2
143.08578	50.5
144.09280	2.8
145.02858	10.8
145.06487	11.0
145.10141	28.2
147.04424	4.0
147.08057	12.9
147.11632	14.8
149.06015	7.2
151.07599	4.2
153.06946	4.6
154.07762	5.1
155.08536	20.8
156.09311	9.7
157.10182	24.1
159.08035	13.3
159.11725	12.2
161.04640	4.8
161.05983	100.0
161.09616	11.4
161.13298	3.0
165.07002	7.9
166.07784	7.1
167.08574	10.9
168.09323	3.3
169.06494	5.1
169.10127	15.9
170.10957	8.3
171.08032	19.4
171.11653	14.6
173.06068	3.3
173.09613	5.5
173.13266	7.7
175.07555	23.3
175.11198	6.4
177.05528	3.3
177.08980	3.7
178.07700	3.0
179.08575	13.5
181.10086	16.7
182.10918	3.9
183.08139	5.7
183.11684	19.7
185.09607	6.7
185.13223	23.3
187.07578	4.3
187.14857	11.3
189.05376	5.1
189.09082	15.1
191.03430	14.6
192.09286	4.9
193.10127	9.0
194.10919	4.0
195.11696	11.9
196.76387	3.1
197.09578	7.0
197.13243	6.4
199.14853	5.8
200.10748	6.4
205.04898	19.7
205.10094	4.0
206.10945	4.5
207.11722	9.8
208.08859	3.0
209.09590	8.9
209.13254	9.9
211.11060	5.5
213.09035	2.8
213.12772	5.7
218.10936	3.2
219.06406	5.0
219.11697	7.5
221.09746	5.0
221.13367	6.9
223.11320	6.3
223.14938	3.8
225.09114	4.9
225.12624	9.3
227.10568	4.8
227.14253	4.3
229.12256	4.1
231.13852	7.1
233.09694	4.2
233.13330	4.6
235.11211	6.4
235.14838	4.3
237.12729	6.2
237.16347	3.2
239.14291	3.9
249.12839	4.1
251.10901	3.5
253.12222	8.5
259.14899	3.1
261.12601	3.1
263.14343	3.7
265.12192	5.3
267.13660	4.5
267.17474	3.2
271.10715	3.2
277.12122	3.2
279.17273	3.0
303.17654	3.6
305.15366	3.5
307.13474	3.6
307.16898	9.7
308.17789	4.6
347.20078	5.0
351.15787	3.9
373.17944	5.6
375.19370	6.2
385.20267	3.7
391.18839	7.0
393.20734	13.4
409.19846	4.2
419.18314	3.4
437.19589	54.0
497.14893	4.3
497.21680	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.3
53.97202	4.7
55.01866	6.6
55.05494	10.1
61.38406	4.8
62.60297	3.8
67.05494	22.4
69.03436	6.4
69.07046	12.1
71.53353	6.1
79.05486	29.1
81.03391	13.7
81.07053	20.2
83.08610	5.9
91.05482	39.9
93.07022	15.2
95.01330	95.6
95.04950	44.9
95.08618	8.5
103.05455	12.0
105.07031	75.8
106.17767	4.4
107.04961	6.2
107.08581	15.1
109.06516	7.4
109.10126	11.3
111.08018	10.9
115.05478	7.0
116.06216	5.3
117.06992	13.8
119.08583	29.1
120.65072	4.5
121.02847	7.4
121.06511	9.3
121.10133	5.8
123.04446	5.5
128.06227	10.9
129.07033	23.4
131.04895	6.6
131.08565	34.9
133.06464	35.5
133.10127	12.3
135.04422	6.3
135.17694	4.2
141.06940	10.3
142.07726	11.5
143.08560	59.4
145.02823	15.6
145.06441	11.2
145.10153	30.5
147.08014	11.0
147.11674	17.5
155.08525	19.8
157.10104	27.7
159.08043	15.8
159.11642	15.8
161.05983	100.0
161.09608	10.3
163.07549	6.5
165.07045	8.0
167.08517	8.8
168.09267	6.5
169.10118	15.1
171.07997	15.1
171.11617	16.5
173.13258	11.1
175.07541	21.9
179.08542	10.5
180.09343	6.0
181.10095	12.1
182.10876	6.6
183.08069	10.1
183.11674	16.3
185.09633	8.7
185.13252	19.1
187.07407	7.6
187.14787	8.2
189.09116	15.8
191.03418	15.3
193.04926	6.2
193.10112	11.6
195.11714	15.7
197.09642	6.3
197.13219	9.6
201.05399	5.5
205.04971	11.9
207.11667	8.4
209.09604	10.5
209.13145	7.7
219.11766	5.8
221.13301	4.9
223.11313	5.7
223.14731	6.1
225.09070	8.3
225.12671	6.1
231.11682	6.3
231.13852	5.9
234.10405	5.9
235.11145	12.5
247.14813	4.7
249.12756	4.9
251.14397	6.2
253.12233	8.2
293.15393	4.8
333.14792	7.1
345.18564	6.4
347.10785	4.8
347.19928	6.5
373.18430	6.5
375.19601	10.7
391.19119	5.3
393.20587	12.8
401.17471	5.5
409.19672	6.0
419.18481	8.1
426.70502	4.9
437.19559	55.1
497.14630	5.3
497.21991	27.4
497.29672	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	497.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89304	1.9
53.03946	3.0
55.01874	8.7
56.92468	1.9
64.30074	1.9
65.03939	3.4
67.05508	18.1
69.03427	6.8
69.07058	4.5
71.08561	5.5
74.35030	2.3
79.05490	19.3
81.03414	9.1
81.07059	10.7
83.04974	3.5
91.05477	23.8
93.07022	12.6
95.01330	96.4
95.04975	51.5
95.08623	4.9
97.02869	2.8
103.05453	7.7
105.07034	65.5
107.04942	5.8
107.08594	8.1
107.38600	2.2
109.06512	4.0
115.05457	8.5
115.89248	2.2
117.07003	12.2
119.04969	3.7
119.08586	21.6
121.02913	4.0
121.06511	8.6
121.10142	4.6
123.04450	2.7
125.05904	2.3
128.06232	10.4
129.06992	14.7
131.04906	4.4
131.08583	15.1
132.05769	2.6
133.06490	33.8
133.10117	6.2
135.04381	3.7
137.06000	6.5
141.06975	8.2
142.07796	8.2
142.58588	2.5
143.08577	34.6
145.02841	3.3
145.06517	11.2
145.10112	16.0
147.04390	6.7
147.08037	14.1
147.11699	5.0
149.05992	6.2
153.07011	5.8
154.07756	4.2
155.08566	18.3
156.09363	7.2
157.06471	3.3
157.10107	19.2
158.10741	2.7
159.04411	3.3
159.08089	8.0
159.11717	6.5
161.05980	100.0
161.09560	2.7
162.06401	3.4
163.07597	4.3
165.07010	9.5
166.07788	5.1
167.08609	10.9
168.09349	3.8
169.06477	5.0
169.10123	33.5
170.10944	9.7
171.08051	35.7
171.11694	14.8
173.09584	2.9
173.13309	4.8
175.04001	4.7
175.07545	23.3
177.05499	2.7
178.07848	3.6
179.08536	17.0
180.09352	4.7
181.10078	23.0
182.10875	6.5
183.08078	7.5
183.11690	23.5
184.12358	2.6
185.09578	10.6
185.13248	12.7
187.07588	3.2
187.11252	4.3
189.05444	3.8
189.09125	7.2
191.03326	4.2
191.07037	3.0
191.08569	4.6
192.09346	6.4
193.08586	2.5
193.10095	10.3
194.10883	5.2
195.08055	5.8
195.11667	10.9
196.08949	2.3
197.09625	9.6
197.13312	7.7
199.07500	3.4
199.11212	5.7
200.10674	2.6
201.05522	6.7
201.09114	6.1
201.12601	2.9
202.07887	2.6
203.08698	3.4
204.09465	2.8
205.04939	16.2
205.10149	6.2
206.11021	6.2
207.08066	6.1
207.11604	14.1
208.08696	3.0
208.12506	2.7
209.09598	14.5
209.13260	12.8
210.10379	3.4
211.07523	2.8
211.11174	13.2
211.14778	3.9
213.09142	4.6
213.12674	16.4
214.09882	2.1
216.09183	2.4
217.10127	3.5
219.06544	7.0
219.11758	6.1
219.13713	2.8
220.08952	2.4
221.09526	6.1
221.13235	12.3
222.10533	2.6
223.11116	3.9
223.14798	10.1
225.09052	6.2
225.12798	3.9
227.10681	10.8
229.12320	3.8
231.11620	4.5
231.13823	3.3
232.08875	2.4
232.12399	3.2
233.09631	4.3
234.10414	5.0
235.07571	8.5
235.11237	11.3
237.12767	5.6
239.10674	3.8
239.14433	3.9
241.12321	3.4
245.09674	3.9
245.13217	2.9
247.11295	3.7
249.12769	8.9
249.16438	3.3
251.10576	4.1
251.14395	5.1
253.08566	9.4
253.12250	4.3
255.13811	7.1
259.11130	4.0
261.12839	3.3
263.10687	5.1
263.14392	3.1
265.12204	4.4
265.16025	2.8
267.13824	8.3
269.15399	7.7
275.14078	2.4
277.12372	7.1
277.15894	3.4
279.13913	3.4
289.12265	3.3
291.13745	4.6
293.15335	5.2
295.13309	12.1
297.14859	5.2
303.13916	2.5
305.11496	2.6
305.15298	4.8
307.16946	9.7
308.17755	6.6
311.12717	2.6
313.14398	7.6
315.13776	2.4
317.11386	2.2
331.13208	3.9
333.14798	6.9
345.18671	4.6
347.20081	3.0
349.18365	3.2
351.15918	3.0
355.16238	2.7
357.18454	2.7
359.12598	6.6
359.16458	3.1
363.19699	2.6
373.17941	12.3
375.19678	4.8
377.17508	3.0
378.18219	5.9
391.18988	9.0
393.20483	10.4
401.17468	5.9
409.20175	7.8
419.18671	7.9
437.19687	18.8
467.66562	2.5
497.21628	9.8
497.28769	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.217
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53129	6.5
62.52544	6.1
67.05508	17.1
69.03405	5.8
69.91148	18.1
69.91541	13.5
79.05497	11.5
81.03409	13.6
91.05482	22.1
91.88079	6.9
93.07023	9.7
95.01336	100.0
95.04970	61.7
97.23151	5.9
105.07026	22.7
117.06982	8.8
119.08609	18.3
121.06554	7.3
128.06215	20.3
129.06987	11.3
131.08580	7.4
133.06436	9.9
142.07831	12.8
143.08545	75.1
145.06528	16.0
145.10139	21.9
147.08040	11.6
153.07045	7.7
155.08600	17.5
157.10147	28.0
159.08055	17.9
161.05952	35.4
165.06984	11.1
166.07791	12.4
167.08591	10.2
168.09328	6.6
169.10138	18.6
171.08037	69.5
171.11696	11.0
175.07561	27.4
178.76828	6.9
179.08571	21.4
181.10161	19.1
183.08125	9.8
183.11765	11.0
185.09648	10.6
185.13234	13.3
193.04951	12.0
193.10114	6.0
193.27188	5.7
195.11636	8.8
197.09610	15.8
199.14935	7.3
201.05598	11.3
207.07982	9.0
207.11748	9.9
209.09602	20.4
209.13335	8.5
211.11230	13.3
213.12714	8.2
219.06511	13.8
225.09132	12.7
229.12325	9.9
235.07603	15.4
235.11330	9.0
237.12888	10.1
249.09384	7.2
253.08482	10.0
259.11337	6.9
265.12195	9.7
291.13876	8.0
295.13364	9.9
297.15048	10.0
305.15363	8.1
307.16895	18.8
308.17654	14.2
331.13260	18.6
333.14917	11.7
341.11655	8.8
351.15961	10.7
352.16745	25.3
355.07315	6.9
359.12827	42.9
373.18085	10.2
391.19394	8.4
393.20694	9.3
409.20197	10.1
437.19687	17.6
467.40787	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	497.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	3.6
53.03920	4.1
54.81964	4.0
55.01860	6.1
67.05494	9.5
69.79019	22.4
79.05489	12.8
81.03409	10.8
81.07034	8.8
84.80987	3.3
91.05484	27.5
93.07033	14.5
95.01329	100.0
95.04966	32.7
98.20821	3.9
103.05441	10.6
105.07043	47.2
107.08591	8.0
115.05453	13.9
117.06984	10.8
119.08594	25.1
121.02796	6.2
121.06493	7.7
121.10108	4.9
128.06256	5.8
129.06999	14.4
131.04922	5.2
131.08560	16.2
132.05685	5.3
133.06520	21.5
142.07768	8.4
143.08580	26.2
145.02829	9.6
145.06474	16.2
145.10127	13.2
147.08057	13.3
147.11682	5.0
149.05965	6.7
155.08536	14.3
156.09344	16.9
157.10135	23.7
159.04411	5.8
159.08052	11.3
159.11691	14.2
160.56996	4.1
161.05994	82.1
165.07010	7.7
166.07794	4.2
167.08598	10.2
168.09370	6.8
169.10179	18.4
170.10883	13.9
171.08058	24.3
171.11742	23.8
173.13234	10.5
175.07526	16.9
179.08505	9.4
180.09303	4.1
181.10101	13.4
182.10869	4.9
183.08156	5.0
183.11671	36.4
185.13257	36.7
187.07526	6.7
189.05370	3.9
191.03387	17.5
191.97844	3.8
192.09312	6.4
193.04979	5.4
193.10089	11.4
195.11681	17.7
197.13246	10.0
199.11122	7.5
199.14749	4.1
201.05411	4.8
201.12648	3.9
205.04965	18.8
205.10271	7.8
206.10837	6.9
207.11687	14.6
209.09613	7.1
209.13243	12.5
211.11177	10.6
213.12779	25.1
219.06532	10.5
221.13246	14.6
223.11191	4.4
223.14827	10.2
225.09077	7.5
225.12790	4.9
227.10706	7.2
229.12109	6.1
231.11662	6.0
231.13802	5.2
235.11127	6.9
235.14949	5.9
243.13779	4.7
245.13310	4.6
249.12746	7.0
251.17848	4.5
253.12318	4.5
277.15906	5.5
279.13947	4.2
289.12393	6.0
319.17023	4.9
331.13235	5.2
331.16830	8.4
333.14902	10.2
341.17340	5.5
345.18521	8.6
347.20010	7.8
355.16412	6.9
359.12619	7.0
359.16553	7.4
373.17822	16.0
375.19553	18.5
391.19052	10.9
393.20511	5.9
401.17633	10.1
419.18448	17.9
437.19611	19.7
450.58267	3.9
497.21713	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	497.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.3
55.05498	5.7
55.93005	3.5
57.03419	4.1
59.05007	3.2
65.03932	3.5
67.05515	24.3
69.03434	4.6
69.07072	4.1
70.74640	7.5
79.05481	12.9
81.03414	12.4
81.07046	11.2
87.30301	3.0
91.05492	18.2
93.07040	10.9
94.69913	2.7
95.01334	85.5
95.04971	61.8
95.08643	3.6
103.05473	7.1
105.04524	3.0
105.07050	31.2
107.04942	6.1
107.08584	10.0
109.06502	5.9
115.05462	7.6
117.07015	10.0
119.08604	14.3
121.02898	3.0
121.06509	8.5
123.04378	3.7
128.06204	16.8
129.06999	10.4
131.08566	13.3
133.06493	15.6
133.10176	6.7
141.06990	7.2
142.07777	8.9
143.08566	54.3
145.06490	12.8
145.10126	19.7
147.08028	12.2
147.11679	8.9
149.05934	5.3
153.06972	4.3
154.07767	3.9
155.08533	14.7
156.09322	6.6
157.10107	21.0
159.08063	10.7
159.11716	7.9
161.05989	34.7
163.07570	4.6
165.07016	9.1
166.07759	5.8
167.08560	11.7
168.09488	2.8
169.10164	19.3
171.08055	75.6
171.11713	6.9
173.09616	5.2
175.07600	16.2
178.07745	5.9
179.08536	15.0
180.09253	3.4
181.10127	19.0
182.10840	4.0
183.08087	10.8
183.11708	12.8
185.09576	9.5
185.13295	13.0
187.07495	3.1
189.09116	8.1
191.08539	4.7
192.09319	5.2
193.04985	9.8
193.10141	10.1
194.07236	5.1
195.08051	6.5
195.11646	7.1
196.08974	6.2
197.06151	3.1
197.09644	10.6
197.13304	7.2
199.14862	5.3
201.05484	12.5
203.08707	3.7
204.09303	3.4
205.04942	8.0
205.10254	4.0
207.08070	11.2
207.11723	7.3
208.08780	7.3
209.09586	24.6
209.13278	5.1
211.07701	3.5
211.11179	9.4
213.09207	3.8
213.12779	7.0
215.05972	4.0
216.05963	3.6
217.10252	4.7
219.06483	7.1
219.11763	6.8
221.09560	6.0
221.13200	6.3
222.10411	4.0
223.11179	6.7
223.14835	3.7
225.09148	8.1
225.12746	4.4
227.10736	6.9
229.12334	7.6
231.13881	4.8
232.08794	3.8
233.09573	5.5
233.13246	4.0
235.07588	11.9
235.11232	10.5
235.14717	3.8
237.09189	7.8
237.12805	6.1
243.95880	3.1
244.05817	3.7
245.09767	3.1
246.10204	3.7
247.11200	4.7
249.08952	3.4
249.12796	5.6
251.10828	6.8
251.13844	3.0
253.08521	8.2
253.12404	5.8
255.10327	4.1
257.15338	3.8
258.07629	37.7
259.07993	46.7
261.12756	3.9
263.10684	7.2
265.12399	7.1
269.15405	4.9
270.07559	3.7
272.08374	3.8
275.14349	4.8
277.12268	5.6
277.16016	3.2
279.14005	3.8
281.11823	3.2
285.09772	3.2
286.07034	23.5
287.07474	31.2
288.08160	8.0
289.08942	3.8
289.12173	4.5
291.10352	3.1
291.13486	5.4
293.15356	5.6
295.13333	6.7
297.14850	4.3
303.13696	6.1
305.15244	5.3
306.16052	3.2
307.16895	14.0
308.17752	11.5
313.12253	4.5
315.13562	3.7
316.10938	4.2
331.13052	14.4
333.14764	11.5
334.15689	3.0
341.11771	4.8
347.19925	3.2
349.14401	3.7
351.15948	11.4
352.16599	17.3
359.12787	39.7
359.16919	5.1
373.17990	8.6
391.19147	4.3
393.20648	6.2
401.17410	3.4
419.18585	7.2
437.19421	8.2
479.15692	6.5
480.27505	4.1
497.16330	100.0
497.23175	5.7
498.16696	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	496.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43973	0.2
52.56273	0.2
53.52971	0.2
56.05035	0.4
57.03431	0.3
57.07071	0.7
58.06604	0.4
59.07428	0.2
60.08160	6.4
60.51266	0.2
66.41460	0.2
67.05517	0.4
71.07370	2.6
71.08613	0.8
81.07040	0.4
83.08594	0.2
85.10139	0.2
86.09704	27.5
95.04970	0.2
95.08617	0.4
98.98468	2.8
104.10743	3.0
109.10175	0.3
125.00002	19.6
145.10120	0.2
184.07336	100.0
185.07701	0.8
226.76440	0.2
290.70892	0.2
303.21024	0.2
313.27371	0.4
383.91544	0.2
415.81238	0.2
426.84830	0.2
478.33060	0.9
496.19580	0.3
496.33908	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	496.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86347	0.4
53.03936	0.9
55.05510	5.3
57.03403	0.4
57.07080	1.8
58.06314	0.8
58.06598	13.7
59.05012	0.4
60.04524	2.8
65.03928	0.5
67.05499	4.6
69.03425	0.8
69.07063	4.0
69.31542	3.8
70.06592	0.6
71.04998	0.7
71.08643	0.4
72.08157	2.0
79.05486	3.5
81.07056	7.9
83.04977	20.9
83.08601	2.0
84.08138	2.8
85.06540	10.7
87.49066	0.3
88.96230	0.3
89.06023	2.1
91.05469	2.4
93.07046	4.5
95.08608	8.3
97.06515	2.3
97.10162	1.7
99.08086	1.0
100.06997	0.5
100.07620	5.3
105.07022	4.8
107.08595	8.8
109.06488	0.5
109.10157	8.2
111.08105	0.7
113.09691	0.6
114.09155	2.6
117.06991	1.2
119.08571	6.6
121.10141	6.8
123.08056	1.8
123.11701	5.2
125.09628	7.3
126.09112	1.4
129.06982	0.8
131.08577	3.6
133.08636	0.8
133.10121	7.0
135.11691	3.3
137.09590	1.1
137.13280	1.1
139.11174	0.3
141.06927	0.6
142.08643	0.9
143.08565	1.7
144.09268	0.4
145.06506	0.4
145.10118	5.8
147.11688	5.1
149.09601	0.9
149.13235	1.4
151.11174	0.8
153.12756	0.4
153.95184	0.4
155.08554	0.6
157.10100	3.5
158.10954	0.5
159.11684	5.4
161.13266	2.9
163.11180	1.2
163.14859	0.7
165.12700	1.0
169.10124	1.6
171.11667	3.3
173.13248	4.5
175.11180	0.6
175.14818	1.6
177.11240	0.6
177.12764	1.2
181.10101	0.5
183.11684	1.9
184.13367	2.4
185.13263	3.4
187.14864	3.0
189.12772	1.1
189.16396	1.7
191.14340	0.6
195.11703	0.9
197.13272	1.3
199.13150	0.4
199.14734	1.9
201.12787	1.1
201.16354	2.0
203.14299	1.2
203.18039	0.9
209.13174	0.6
211.14836	1.8
213.16420	1.7
215.14325	0.9
215.17967	0.9
217.15926	0.5
223.14807	0.8
225.16400	1.4
227.14432	0.4
227.17834	2.0
229.15919	0.7
229.19498	0.8
231.17482	0.9
237.16614	0.4
239.18042	0.9
241.15799	0.6
241.19528	0.6
243.17453	0.7
245.18983	2.0
251.17987	0.5
253.19551	1.4
255.21161	0.8
257.19003	1.2
265.19656	0.8
267.21152	1.1
269.19019	0.6
271.20694	0.9
279.21091	0.5
283.17618	0.8
283.20444	0.9
285.22141	0.8
292.27481	0.4
295.20807	0.5
295.24335	0.5
297.22247	1.5
309.22147	0.9
311.23776	2.2
313.25092	0.8
323.23627	0.6
325.25372	2.0
337.25281	0.6
339.26813	2.6
341.28635	0.7
349.25186	0.7
353.28412	1.3
363.26810	0.5
381.27786	0.5
419.33081	4.8
437.34174	5.6
496.37836	100.0
497.38220	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	496.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.1
55.05503	3.7
59.34727	1.4
63.62135	1.3
67.05489	3.8
69.07056	3.5
71.04997	2.6
71.53652	1.2
71.54073	1.6
79.05497	6.2
79.88235	1.4
81.03416	4.3
81.07042	7.1
83.08625	2.1
85.06526	4.3
86.02426	47.8
87.91039	1.3
91.05473	6.0
93.07030	8.8
95.04988	1.5
95.08613	8.2
104.03461	37.3
105.07036	9.3
107.04955	14.1
107.08604	14.5
109.06561	1.5
109.10143	4.7
111.04453	2.3
113.06002	27.4
117.07028	1.6
119.08565	6.6
121.02863	100.0
121.10148	4.3
123.11742	2.6
133.10118	4.2
135.06824	1.6
135.11705	5.3
136.07593	5.5
144.06500	1.4
145.10138	1.9
146.05977	2.5
147.11664	7.8
152.07132	1.5
161.13261	3.0
162.05515	5.0
163.06273	5.2
163.14835	4.8
164.07068	38.4
173.05943	1.5
175.14902	1.7
180.06555	43.5
184.07491	1.7
201.05443	2.0
203.17924	9.0
233.08104	16.7
276.12296	21.4
277.12738	1.6
292.11783	87.6
293.12048	1.4
342.34970	1.3
496.13412	2.6
496.19870	29.4
496.30493	72.4
497.19788	3.0
497.31119	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	496.3396
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05505	0.3
56.05032	1.5
57.03430	0.5
57.07080	3.0
58.06570	1.3
59.07397	0.3
60.08164	15.9
61.77465	0.2
62.59360	0.2
65.99706	0.2
66.73357	0.2
67.05490	0.6
69.07072	0.5
71.07375	6.6
71.08633	1.7
81.07055	0.8
83.08616	0.7
85.10176	0.8
86.09705	48.0
95.08591	1.1
98.98459	3.6
104.10741	100.0
105.11042	0.5
109.10140	0.6
119.97788	0.3
125.00004	27.5
163.01563	0.8
184.07338	98.5
185.07710	0.7
258.11035	1.3
313.27371	2.1
351.85913	0.3
419.25488	0.4
478.32892	10.0
496.33978	33.6
497.34244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82490	0.2
53.03939	0.9
55.01854	0.2
55.05504	0.6
55.55956	0.2
65.03941	3.4
67.05499	0.6
69.07090	0.4
69.43248	1.9
71.04979	0.7
79.05486	0.8
81.03419	2.5
81.07053	1.1
85.06539	1.5
86.02435	7.6
91.05479	1.1
93.07045	1.3
95.04952	0.4
95.08569	1.4
104.02811	0.4
104.03470	5.5
104.04153	0.3
105.07030	1.6
105.96221	0.2
107.04963	4.0
107.08601	2.6
109.10163	0.7
111.04436	3.0
111.25035	0.2
113.06007	13.0
116.21840	0.2
119.04990	0.3
119.08607	1.4
121.02869	100.0
121.10154	1.2
122.03197	0.8
123.11690	0.5
133.10114	0.9
135.11688	0.8
136.07579	0.4
138.12758	0.6
146.06021	0.3
147.11700	1.2
147.49312	0.2
149.13228	0.4
152.07101	0.3
153.51631	0.2
159.11667	0.3
161.13289	0.5
162.05518	0.8
163.06297	0.5
163.14803	0.7
164.07068	3.9
180.06560	7.2
201.05495	0.4
201.16353	0.3
203.18018	1.2
216.10373	0.3
233.08084	21.3
276.12271	2.0
292.11792	13.2
292.52679	0.2
293.12039	0.3
490.14221	0.2
496.20065	3.5
496.30582	23.9
497.31268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96904	0.3
53.03938	1.3
55.01861	0.3
55.05508	0.9
65.03944	3.0
67.05502	0.7
68.99378	0.3
68.99744	0.3
69.07049	0.6
69.95123	0.6
69.95512	0.8
70.06584	0.3
71.01344	0.5
71.04990	1.0
79.05499	0.7
81.03414	3.5
81.07053	1.1
84.08167	0.4
85.06541	1.8
86.02425	13.4
91.05479	0.6
91.48596	0.4
91.92857	0.3
93.06990	0.7
95.04969	0.8
95.08611	0.8
104.03461	13.5
105.07039	0.9
107.04955	21.3
107.08543	0.4
108.05305	0.5
109.10152	0.9
111.04437	3.2
113.06004	16.2
119.08588	0.8
121.02865	100.0
121.10149	0.5
122.03201	1.5
122.09677	0.7
133.02820	0.4
133.10127	0.5
134.05954	0.5
135.43202	0.3
136.07581	1.2
146.05949	0.5
147.11667	0.3
159.11711	0.8
162.05467	3.6
162.12735	0.3
163.06267	0.5
164.07079	4.7
180.06563	15.5
216.10300	0.3
233.08086	19.1
234.08629	0.4
246.22191	0.7
276.12253	2.0
292.11780	25.0
293.12137	0.7
496.20502	1.9
496.30557	40.1
497.30786	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	496.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01876	2.2
55.05511	3.5
57.03430	1.8
57.07085	2.2
59.04996	1.8
60.04531	2.9
61.02922	1.2
62.44442	0.4
67.05499	1.9
69.03429	6.4
69.07063	1.8
70.06601	3.2
71.04991	6.5
71.18401	0.6
73.02917	0.6
73.06557	3.4
79.05489	0.8
81.03417	4.8
81.07055	1.8
83.01346	0.5
83.08608	2.0
84.08133	0.9
85.02907	14.8
85.06532	0.7
85.10187	0.5
87.00835	5.3
91.03993	0.5
91.05485	1.4
93.07040	1.1
95.04975	0.9
95.08604	0.8
97.02896	8.3
99.04462	2.4
105.01869	5.2
105.03375	0.9
105.07005	1.1
107.04946	0.6
107.08611	0.8
109.02888	5.6
109.06462	0.5
109.10165	6.1
111.04424	0.6
117.01835	0.6
119.04942	0.5
119.08551	0.7
127.03916	9.2
127.11192	100.0
128.11533	1.4
129.01877	0.5
131.08583	0.6
131.49966	0.4
133.10159	0.5
135.08047	0.6
145.04951	4.5
145.10127	0.6
145.12239	9.1
157.10164	0.6
159.02859	2.9
162.09085	0.5
166.08652	0.8
168.14191	0.5
175.07584	0.5
184.07314	0.6
213.04019	0.5
213.14880	0.5
231.05009	1.2
231.15910	10.9
248.12863	0.9
249.06154	0.5
255.13980	0.5
316.16797	0.5
334.29703	2.4
417.69064	0.5
496.34750	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1991
Annotation	Isometamidium chloride
Peak:m/z	Relative Intensity
56.96566	3.6
61.60736	0.4
69.25018	5.2
75.66887	0.4
75.76077	0.5
89.28238	0.4
92.37646	0.4
95.69603	0.4
98.21471	0.8
105.03408	2.6
133.37209	0.5
162.09048	0.6
178.01747	0.8
196.02829	3.7
210.04350	1.0
214.03876	2.0
222.04385	0.6
232.85245	0.5
236.06036	0.9
250.07484	1.5
261.09158	1.6
268.08389	0.6
279.10233	1.7
287.10788	0.6
335.10745	0.6
339.10208	2.9
353.11832	2.8
357.11212	2.3
371.12915	1.5
389.40076	0.6
496.19901	100.0
497.20096	6.0
514.20105	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	496.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33828	1.7
69.34225	0.4
88.58475	0.2
91.05479	0.6
93.07034	0.2
97.92511	0.2
98.21576	0.4
103.05444	0.4
116.68021	0.2
119.26900	0.2
120.89447	0.2
121.06453	0.9
131.04871	0.4
149.05981	0.5
151.03821	0.2
153.05428	0.3
165.05399	0.2
170.05922	0.2
177.05440	0.4
178.06224	0.3
184.07458	0.2
186.05453	0.4
187.06255	2.2
191.06958	0.3
192.86058	0.2
198.05481	0.7
199.06331	0.2
200.07146	0.2
201.04184	0.2
202.08585	3.3
211.06477	0.3
212.07054	0.3
213.07843	0.4
214.04980	0.4
215.05760	13.2
216.06363	0.4
226.04919	0.5
227.05811	0.6
228.06560	0.7
229.07285	0.3
230.08145	2.6
240.06487	0.7
241.07350	0.7
242.08060	2.2
243.05273	6.9
243.08926	0.3
244.06062	1.4
245.06764	0.4
254.08182	1.1
255.05132	0.4
256.06018	0.7
256.09537	0.2
257.06857	0.6
258.07608	100.0
259.07953	2.8
270.07593	4.1
271.04755	0.6
271.08337	0.7
272.05518	0.9
272.09235	0.6
273.06271	3.2
284.09155	2.5
285.06125	0.2
286.07086	71.8
287.07776	5.8
288.08640	4.0
289.05859	0.4
296.09113	0.4
298.07071	0.5
324.08179	0.2
328.08130	1.2
332.68542	0.2
448.09772	0.2
466.15125	0.6
478.14856	2.3
496.16003	66.4
497.16364	2.8
510.12277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.0
55.01869	18.3
55.05311	3.6
55.05511	37.1
57.03434	33.1
57.07069	3.4
61.02929	33.3
65.03929	7.0
67.05503	100.0
69.03429	35.2
69.07071	34.3
70.06577	7.4
71.01324	11.6
71.04985	13.4
71.52763	6.3
72.32987	3.5
73.02913	27.6
79.05493	88.7
79.44251	3.2
79.77961	4.2
81.03419	37.0
81.06592	5.7
81.07053	92.3
83.04962	17.3
83.08605	16.6
84.08131	3.8
85.02908	50.8
85.06521	10.7
86.09668	4.3
87.04441	4.3
91.03959	19.9
91.05475	93.3
93.07040	89.0
95.04957	32.1
95.08606	55.4
96.68726	3.4
97.02397	3.4
97.02905	39.0
97.06506	15.5
97.10150	10.8
99.04436	7.2
99.08102	4.4
101.02341	6.1
103.03944	6.8
103.05431	7.8
105.03363	9.2
105.07036	76.2
107.04950	19.2
107.08585	49.2
109.02869	9.4
109.06505	17.1
109.10163	27.4
111.04439	11.6
111.08080	7.6
115.05430	4.4
117.07040	34.7
119.08591	62.6
120.04494	4.1
121.06499	9.2
121.10143	43.2
123.04378	5.1
123.08044	7.6
123.11688	6.0
125.09631	13.7
127.03878	10.1
128.06250	6.4
129.07002	32.1
131.04860	4.0
131.08556	56.9
133.06485	7.2
133.10138	41.8
135.08031	14.8
135.11707	23.9
137.05922	4.5
137.09604	11.0
139.07559	3.9
141.06953	8.0
142.07780	4.7
143.08560	25.0
145.06491	13.2
145.10138	44.8
146.02393	4.3
147.08006	12.1
147.11671	30.6
149.09639	10.8
149.13266	22.1
151.11153	4.1
153.06976	3.7
155.08545	11.4
157.10153	21.9
159.08020	10.4
159.11707	28.0
161.09602	10.0
161.13257	13.2
163.11162	12.1
165.09161	5.0
167.07246	5.2
167.08615	6.5
169.10147	19.6
170.06013	6.5
171.08049	6.9
171.11716	22.0
173.09525	9.9
173.13274	17.3
175.11195	11.3
175.14780	4.4
177.12723	4.8
181.10181	6.8
181.12260	4.4
183.11642	13.6
185.09700	6.0
185.13258	14.2
187.11140	6.8
187.14774	9.2
191.10712	4.8
191.14278	6.0
193.12259	8.9
195.11653	5.1
195.13782	7.3
197.13284	5.8
199.11224	6.7
199.14735	5.2
201.09232	5.6
201.12761	6.7
201.16412	4.3
209.11659	10.8
209.13379	4.7
211.11273	4.9
211.13239	7.2
213.12769	4.2
215.14284	6.8
223.14938	4.3
227.12682	9.9
228.11111	3.8
231.21104	5.2
233.15309	4.2
237.12735	4.6
241.19481	7.0
255.13811	8.3
259.20605	12.2
267.15793	5.5
271.20398	8.7
273.14871	8.3
273.22382	5.6
275.20190	4.2
283.20587	6.4
301.21561	7.1
313.21921	5.8
325.21454	5.1
331.22583	7.0
333.20242	26.7
333.24231	28.9
345.24231	5.6
349.21622	5.5
357.24252	7.8
359.21967	6.7
361.23563	4.9
367.22714	17.0
375.25125	10.2
385.23657	16.4
387.25076	3.8
403.24741	13.0
417.26315	5.1
423.25107	5.8
429.26041	9.4
431.27875	5.4
441.26389	20.8
451.27142	6.8
459.27167	24.8
477.28485	43.8
495.29242	71.0
496.19687	9.7
517.58264	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	495.2954
Annotation	Herkesterone
Peak:m/z	Relative Intensity
53.03189	1.9
53.03935	6.7
55.01873	14.2
55.05271	2.2
55.05513	32.1
56.78730	1.4
57.03445	12.0
57.07076	2.4
59.04995	3.5
65.03934	4.8
67.05507	95.3
69.03423	3.4
69.07074	24.9
70.06583	1.4
71.01351	3.8
71.05005	7.8
71.08631	1.5
71.53517	2.4
73.02902	2.7
73.24393	1.4
79.05496	68.1
81.03419	21.4
81.07059	100.0
83.01334	1.7
83.04987	19.6
83.08615	24.1
84.08146	1.5
85.02902	6.3
85.06534	5.9
89.49804	1.5
91.04916	1.6
91.05485	39.7
93.07048	81.3
94.07396	1.9
95.04981	18.9
95.08608	32.3
97.02887	6.3
97.06528	21.4
97.10195	9.3
99.04498	1.9
99.08082	4.0
103.05467	1.5
105.03411	2.2
105.07040	23.5
105.44466	1.3
107.04969	11.8
107.08601	47.5
109.06538	8.0
109.10157	17.1
110.92857	1.6
111.04453	6.4
111.08073	11.0
115.05466	1.6
115.17001	1.4
117.07018	17.5
119.08577	18.5
121.02923	2.2
121.06525	6.2
121.10146	27.2
123.04417	1.6
123.08092	8.6
123.11694	2.8
125.05972	1.4
125.09626	8.9
129.05475	2.0
129.06998	4.9
130.07771	2.2
131.04924	1.8
131.08572	18.1
133.10133	12.5
135.08058	5.8
135.11697	23.4
136.12064	1.7
137.09587	4.7
139.11227	2.1
143.08604	3.6
145.06470	2.5
145.10124	19.8
147.08080	4.4
147.11655	3.7
149.09682	4.5
149.13261	25.0
153.12769	9.9
155.08572	6.0
159.08000	1.5
159.11717	11.8
163.11198	31.3
165.12814	1.9
167.10680	1.9
171.23462	1.4
173.09615	10.9
173.11777	3.2
173.13179	1.7
175.11296	2.1
177.12831	4.3
181.12233	13.5
189.11127	2.1
191.10640	13.9
193.12210	1.8
195.13823	17.5
199.13293	1.7
209.11719	29.8
209.13605	2.3
227.12733	11.3
265.14456	3.7
267.15945	4.2
269.17609	8.4
273.14917	2.0
283.15393	9.5
295.90527	1.8
339.23099	1.6
367.22974	3.1
385.23941	3.6
403.24777	3.5
423.27286	2.5
459.27264	5.0
477.28540	21.6
495.29556	87.9
496.29788	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	495.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	12.5
57.07074	48.7
67.05506	33.6
69.03436	7.1
69.07047	11.8
71.18131	9.7
79.05470	14.1
81.03412	13.5
81.07060	20.9
83.08594	7.4
85.06541	13.4
89.10015	4.1
91.05488	28.6
93.07030	21.2
95.00774	7.0
95.01329	100.0
95.04979	47.2
95.08608	28.5
103.05452	6.1
105.07034	46.8
107.04913	6.2
107.08575	12.6
109.06506	5.1
109.10131	17.2
115.05427	6.2
117.07008	19.6
119.08580	51.9
121.02859	5.7
121.06491	6.3
121.10117	9.3
128.06285	4.8
129.07001	12.1
130.07747	5.7
131.04926	6.6
131.08582	30.7
133.06462	10.0
133.10104	19.3
135.08069	5.3
142.07755	9.4
143.08517	28.4
145.02858	7.7
145.06456	17.9
145.10126	58.4
147.11703	8.9
149.05978	7.7
151.07288	4.1
153.06984	5.5
155.08559	14.6
156.09341	8.3
157.10121	19.5
159.11707	27.4
161.06044	22.3
166.07750	4.6
167.08598	12.8
169.10136	16.3
170.10880	10.7
171.11694	10.5
173.13292	12.7
175.07574	9.0
175.14848	4.9
178.07707	4.0
179.08533	8.0
180.09262	11.6
181.10107	29.6
182.37881	4.1
183.11690	19.8
185.13318	39.2
187.14815	67.5
191.03358	7.3
191.08536	6.4
193.04997	6.7
193.10121	19.6
195.11670	21.5
197.13251	16.0
199.11201	7.3
199.14813	9.5
201.05429	12.4
201.16374	10.8
205.04944	28.2
206.10881	7.4
207.11612	9.6
208.12468	5.9
209.09586	5.6
209.13211	17.5
211.11208	5.3
211.14810	11.6
217.09993	5.8
219.06487	16.6
219.11632	5.4
221.13271	7.5
223.14786	25.2
225.16473	20.7
237.12721	5.8
237.16548	5.9
249.12880	6.7
251.14281	8.7
251.17876	5.4
259.14932	5.1
261.16422	5.1
263.14514	7.4
263.17752	4.9
263.51181	4.3
267.13864	6.2
269.15356	18.5
273.12653	10.4
277.12357	8.6
279.17230	4.1
289.15897	6.5
292.86978	4.8
293.11621	6.9
297.18503	9.5
305.15421	5.7
318.19708	5.5
329.18896	6.4
333.14743	12.9
347.20053	10.8
349.21524	7.5
353.21463	5.3
365.20886	6.6
375.19391	23.4
393.20551	22.8
495.27658	22.6
495.40100	8.8
496.20010	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	495.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51550	0.9
53.03940	3.1
55.01878	11.3
55.05511	10.5
57.03427	4.9
57.07062	2.3
59.04996	1.4
62.05894	1.2
65.03934	1.8
67.05231	1.1
67.05508	13.0
69.03430	8.2
69.07068	6.3
70.06589	3.4
71.04990	6.4
71.33674	2.2
73.02890	1.1
79.05491	14.1
81.03411	9.3
81.07053	15.4
83.04980	4.7
83.08613	5.3
85.02906	5.9
85.06537	7.6
86.09675	1.0
91.05470	12.4
93.07039	17.8
95.04970	9.4
95.08602	8.7
97.02882	3.1
97.06531	4.7
97.10172	3.6
99.04429	1.9
99.08020	1.3
101.61540	1.2
103.05437	1.6
105.03384	1.8
105.07021	12.3
107.04946	12.8
107.08586	9.1
109.02889	3.4
109.06514	15.0
109.10153	3.7
111.04430	3.0
111.08117	1.4
115.05501	1.7
117.07011	4.3
119.04915	2.4
119.08589	7.9
121.06504	7.8
121.10143	8.9
123.04420	1.7
123.08064	3.3
123.11718	1.6
125.09657	3.9
127.03925	3.3
128.06218	2.5
129.07002	4.1
131.04942	1.6
131.08562	8.5
133.06494	2.2
133.10106	5.7
135.04436	12.6
135.08044	7.6
135.11710	2.7
137.06010	2.0
139.11159	3.4
141.06978	1.6
143.08542	5.8
145.06470	3.8
145.10086	7.2
147.04404	3.2
147.08067	4.2
147.11673	4.3
149.05968	2.1
149.09624	4.2
149.13309	1.5
151.11130	1.3
155.08517	3.5
157.10155	5.5
158.07256	1.5
159.04413	4.5
159.08023	2.4
159.11635	1.9
161.05998	4.0
161.09605	2.8
163.07471	1.7
163.11169	2.8
165.05600	1.6
165.09111	1.7
167.08543	1.4
169.10133	1.7
171.04497	1.1
171.08043	5.7
172.08858	2.1
173.06000	3.9
173.09560	5.7
173.13292	3.6
175.07571	2.8
175.11139	3.3
177.05516	11.1
177.09180	1.3
181.10072	1.7
183.08069	2.6
183.11656	2.2
185.09631	7.9
186.06731	2.0
187.07562	4.0
187.11211	1.7
189.05452	3.9
189.09091	24.6
189.10835	2.2
189.12833	1.4
191.07121	1.1
191.10773	1.9
191.14339	4.6
193.12314	2.0
195.07990	1.4
198.06798	1.3
199.07654	1.8
201.04156	4.2
201.05545	3.6
201.09099	46.4
203.07027	3.1
203.10538	5.4
203.14291	1.3
205.08636	2.8
207.10172	6.4
209.09695	2.7
211.13348	1.9
212.08281	1.8
213.09111	14.8
213.12802	1.2
214.06291	2.0
215.10645	5.9
217.08554	1.5
217.12236	2.4
219.10133	5.4
219.13750	13.3
221.11723	1.9
225.09116	3.0
227.10699	6.6
227.14326	3.4
229.03706	3.0
229.08893	2.8
229.12186	2.6
231.10159	11.5
233.11775	1.9
237.12772	5.6
239.10606	1.8
240.11435	10.3
241.12105	2.2
243.05038	1.3
243.10182	34.4
244.06049	61.6
245.11700	9.4
249.11215	8.2
251.14192	1.4
253.12234	2.0
255.10294	5.9
255.13794	100.0
256.14087	3.5
257.06769	2.3
257.15448	3.4
258.07617	8.3
259.15408	7.9
261.11200	5.8
267.16006	2.5
269.15369	5.7
272.05521	54.4
273.06189	2.7
273.14835	45.7
274.15109	1.5
291.15900	2.8
293.17389	7.3
297.14835	39.8
299.16251	2.7
315.15881	32.0
316.16376	1.8
323.35797	1.3
333.16943	4.4
339.23315	1.6
349.21426	1.9
357.17047	1.3
359.22195	1.8
367.22852	2.6
376.19998	1.3
385.23752	5.6
403.24780	3.9
441.19055	4.1
452.13428	2.7
459.20056	29.1
459.27377	5.3
477.21127	23.8
477.28430	8.9
495.22406	35.9
495.29352	7.2
496.12280	37.7
496.22815	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	495.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47694	1.4
52.10125	1.1
53.03939	1.9
55.01879	9.3
55.05510	7.4
57.03433	2.8
57.07069	1.4
59.04999	1.4
67.05509	10.8
69.03420	3.8
69.07069	6.0
69.07414	1.2
69.55427	9.2
70.06585	1.7
71.04990	3.3
79.05495	9.5
81.03437	8.0
81.07066	12.5
83.04999	4.3
83.08621	3.2
85.02905	6.6
85.06559	4.0
87.65385	1.2
91.05491	8.4
93.07051	8.9
95.05000	3.3
95.08612	5.4
97.02860	2.4
97.06569	2.0
97.10213	2.2
98.20808	1.7
99.04506	1.6
105.03355	1.6
105.07026	7.2
107.04967	4.0
107.08613	5.9
109.02940	2.5
109.06538	5.8
109.10173	3.7
111.08072	2.0
117.07063	2.5
118.06539	1.4
119.08614	5.3
121.02889	1.9
121.06550	2.2
121.10163	4.5
123.08069	2.8
123.11723	1.8
125.09639	2.0
127.03916	4.1
128.06262	2.5
129.07056	2.4
131.04961	1.9
131.08586	4.4
133.10155	3.1
134.10541	1.3
135.04442	5.4
135.08070	3.8
135.11729	2.4
143.08597	5.6
145.06509	3.0
145.10120	3.5
147.04451	2.8
147.08054	6.5
147.11732	1.8
149.09549	2.4
149.13245	1.9
155.08617	1.3
157.10161	3.8
159.04463	6.0
159.08009	1.3
159.11694	3.6
161.05962	3.0
161.09595	2.6
161.13335	1.3
163.11159	3.4
164.16171	1.1
169.10083	2.1
171.08060	8.0
171.11755	1.5
172.08795	2.3
173.06003	3.4
173.09616	3.6
175.03935	3.0
175.07607	2.8
177.05542	5.3
183.08101	1.5
185.09618	8.7
186.06850	3.1
187.07570	3.4
187.14857	1.5
189.05524	2.7
189.09132	17.7
191.10811	2.2
193.12292	2.0
195.08150	1.9
199.07660	1.9
199.11278	1.8
201.05510	4.1
201.09116	47.2
203.07140	3.1
203.10754	4.3
205.08566	2.0
207.10147	1.9
207.13847	1.4
209.11736	2.0
211.11230	1.5
212.08246	1.5
213.09114	13.7
215.07025	2.4
215.10747	5.6
217.08620	1.7
217.12347	2.2
219.13826	2.4
222.10371	1.4
225.09174	3.0
227.10722	5.8
227.14394	3.6
229.08682	5.2
229.12270	2.0
231.10201	7.0
237.12723	6.7
240.11551	9.8
243.10191	31.1
244.10561	1.6
245.11740	7.6
247.09659	2.9
251.14386	2.3
253.12247	1.9
255.10301	5.1
255.13826	100.0
256.14154	2.6
257.15430	5.9
259.15530	1.7
261.11206	2.9
269.15439	5.2
273.11700	2.3
273.14874	44.4
297.14862	38.8
297.18195	1.9
298.15536	2.1
299.16403	3.0
304.04599	1.8
315.15955	26.2
315.19208	1.2
319.06732	2.2
333.17078	1.9
334.09256	3.3
367.22879	1.8
375.16934	1.6
385.24023	2.2
441.19131	4.9
459.20251	29.5
459.26633	1.4
477.21463	15.4
477.27936	2.9
495.22400	52.1
495.29309	4.9
496.22253	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	495.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07852	0.8
53.03945	1.3
55.05504	2.1
56.05017	1.2
59.40829	0.9
63.07860	0.9
67.05497	2.1
69.03419	4.2
69.07069	1.9
70.06599	9.1
70.88148	2.9
72.08148	3.2
81.03406	4.3
81.07048	3.1
83.04966	1.4
84.04499	1.6
84.08132	4.3
84.51006	0.9
85.02901	3.9
85.06537	2.3
86.09708	7.4
91.05474	3.9
92.99585	0.9
93.07040	3.0
95.04920	1.3
95.08656	1.3
97.02889	2.8
97.06551	1.5
99.04426	1.3
105.03378	3.8
105.07007	2.4
107.08599	1.8
108.04481	1.3
109.02891	2.9
109.10155	1.4
110.07202	3.3
118.41651	0.8
119.04932	1.2
119.08567	2.6
120.08120	3.8
121.02869	2.9
121.10127	1.4
121.85774	1.0
127.03913	2.9
129.10281	1.5
131.08589	0.9
134.56764	0.9
135.04472	1.1
136.07590	1.8
145.04854	1.1
147.04407	1.5
147.11617	1.6
149.05930	1.0
162.09146	4.4
166.08546	1.0
177.05537	2.6
178.04993	2.4
212.13573	1.1
229.11992	7.7
231.13272	1.5
231.15118	1.6
245.06352	3.7
247.13097	3.7
255.13847	3.9
275.12555	1.5
287.03784	4.9
289.05310	43.9
357.38232	1.0
409.18491	5.0
445.24442	1.1
451.19403	21.2
459.20499	1.9
463.25473	2.3
477.21289	1.3
495.18375	100.0
495.26019	3.3
496.18753	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	495.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55647	0.3
53.03927	1.2
55.05487	1.2
57.03416	0.6
63.82091	0.4
67.05475	0.8
69.03439	2.2
69.07058	0.7
69.95979	0.8
69.96381	1.3
70.06595	0.7
71.04966	1.2
79.05480	0.7
81.03419	2.3
81.07039	1.0
82.03764	0.6
83.04940	0.7
84.08131	0.5
85.02896	2.1
85.06532	1.8
86.09692	0.5
91.05480	0.7
93.07033	1.4
95.04967	0.7
95.08585	1.2
97.02883	1.0
99.04450	2.3
99.08079	0.8
100.04790	0.9
103.03977	1.0
105.01849	0.5
105.07014	1.3
107.01089	0.6
107.08596	1.9
108.08920	0.8
109.02864	1.6
109.06510	0.7
109.10166	2.6
110.10480	0.9
117.05468	0.6
119.08583	1.7
121.10160	0.6
123.11687	0.4
127.03898	1.6
132.08044	0.5
133.08412	0.5
133.10124	1.2
134.10468	0.7
135.11665	2.6
136.12006	1.8
140.28488	0.5
145.07559	0.9
145.10072	0.5
147.04346	0.8
147.08142	0.6
147.09140	2.7
147.20471	0.4
148.09540	1.2
153.12735	1.9
154.13069	0.9
159.09178	1.8
159.92993	0.4
160.09599	0.9
161.05962	0.5
162.09103	0.5
173.05942	0.6
175.14847	0.6
176.15225	1.1
182.26939	0.4
184.41960	0.5
189.09087	1.2
191.08179	7.6
192.08507	7.5
198.10979	0.5
201.05620	0.5
201.09090	2.6
203.10507	0.5
211.16927	9.9
212.17268	11.5
213.09062	0.7
215.10590	0.5
216.07668	1.3
217.08066	1.1
227.10620	0.5
229.12074	1.3
231.10136	0.8
240.11528	0.9
240.54813	0.5
243.10156	2.1
245.06297	0.5
246.13097	0.5
247.13083	6.3
255.13780	6.5
264.14343	1.0
272.11230	0.6
273.14996	2.5
275.12497	4.5
289.05411	0.8
290.12146	1.1
297.14749	2.9
306.15134	0.6
307.12665	2.2
308.13196	4.4
315.15982	1.6
350.13693	0.5
351.13782	1.2
390.17374	1.9
391.17282	1.8
407.20340	0.5
409.18304	10.9
423.75577	0.5
433.17862	1.3
434.16479	1.1
451.19382	37.3
452.17377	3.9
459.19907	1.2
477.16702	0.7
495.18246	100.0
496.18631	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	495.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03984	1.5
55.05543	1.2
57.03463	0.8
61.83582	0.6
67.05540	1.4
69.03496	3.3
69.58811	4.9
70.06590	11.9
71.05026	0.8
71.06987	2.1
72.08225	2.0
73.02950	1.0
79.05524	0.8
81.03477	2.9
81.07117	1.6
83.68285	0.7
84.08173	1.2
85.02896	5.6
85.06594	1.0
86.03275	1.5
86.06110	0.8
86.09780	1.8
87.00900	2.2
91.05550	2.0
93.07110	1.3
95.05031	0.9
95.08652	1.6
97.02975	2.3
98.20716	0.7
99.04524	1.7
105.01870	3.1
105.03472	2.1
105.07104	1.8
107.08674	2.0
109.02874	3.6
109.10202	1.8
110.07244	0.6
112.07603	9.5
113.08012	2.1
119.05047	2.1
119.08614	1.6
120.08157	1.4
121.06599	0.8
121.10205	1.5
123.11823	0.6
127.03856	6.6
128.04335	1.4
133.10190	1.3
135.04460	1.3
135.08119	0.8
135.11786	0.9
136.37589	0.7
137.09683	0.9
140.07048	4.4
141.07480	1.2
144.18918	0.7
145.05080	2.4
146.05362	1.0
147.04520	2.4
149.13345	1.1
159.02982	1.2
166.92104	0.7
170.29022	0.6
175.03908	3.7
175.14824	0.8
176.04448	0.7
176.15265	1.1
177.05548	0.8
189.09180	1.0
193.05096	0.7
193.15945	1.3
194.16338	1.8
207.06528	3.1
211.16956	1.3
212.17310	0.9
228.16664	0.7
229.12305	0.7
231.05032	0.8
243.10330	0.7
247.58766	0.7
255.13890	2.3
271.06015	0.8
273.14978	0.9
297.15201	1.0
335.09229	2.3
349.08972	2.7
363.08536	1.3
389.09903	0.8
391.09970	10.6
409.11029	100.0
410.11731	1.2
417.09586	0.9
451.19290	2.6
477.11688	1.6
495.14532	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01873	2.0
55.05510	4.0
56.05038	4.3
57.03445	3.8
60.04526	92.4
61.02941	2.9
63.28492	0.6
65.03951	0.7
66.80702	0.7
67.05507	11.5
68.05054	0.7
69.03429	9.9
69.07074	5.6
69.50059	4.7
70.06591	3.3
71.05004	1.3
72.04520	1.5
72.08161	1.1
73.02915	1.5
74.06081	4.6
79.05491	7.1
80.05042	1.6
81.03418	5.5
81.07054	12.8
82.05603	0.7
82.06594	2.3
83.04987	2.1
83.08624	2.2
84.04513	2.6
84.08141	0.8
85.02905	27.0
85.06569	0.9
86.06068	2.6
86.09702	1.5
87.04456	1.1
90.05564	1.8
91.03973	0.8
91.05486	5.4
93.07046	7.0
94.06579	2.2
95.04982	1.9
95.08609	10.2
96.08137	1.4
97.02884	8.2
97.06528	1.2
97.10186	1.7
98.06071	0.9
99.04468	2.4
101.02367	0.9
101.72652	0.6
102.05544	2.9
104.07119	2.2
105.03373	0.8
105.07037	4.5
107.04963	1.2
107.08595	4.9
108.08136	1.1
108.08894	0.6
109.02880	3.6
109.06528	1.2
109.10155	5.9
110.06010	0.7
111.08076	0.9
115.03923	0.7
116.07134	1.1
117.05483	0.6
117.07015	1.3
117.35907	0.6
119.08569	2.4
120.08086	1.0
121.02830	0.7
121.06503	2.0
121.10148	4.3
123.04481	0.6
123.11726	2.4
125.09633	1.3
127.03925	5.7
131.08569	2.6
133.10135	3.4
135.08099	1.0
135.11711	2.5
145.04956	2.0
145.10165	2.2
147.04510	0.7
147.08067	0.7
147.11716	0.8
149.02278	0.8
149.13277	0.9
151.07585	1.5
159.11742	0.8
161.09628	1.1
161.13213	1.0
163.11128	0.7
165.09117	1.3
167.03445	1.1
173.13409	0.7
177.05450	1.5
188.09291	1.2
190.05005	1.7
194.04506	1.3
201.09090	1.2
206.10210	1.0
211.16939	2.1
215.67972	0.6
224.11296	2.8
246.11296	2.2
248.23680	1.1
254.24811	0.9
255.13919	2.0
260.23804	2.3
273.15118	1.0
278.24741	6.1
294.05890	0.7
296.25861	8.5
297.14917	1.1
314.26895	20.1
332.27939	100.0
333.28284	2.0
374.29044	2.4
422.28830	0.9
440.29965	1.5
458.31171	2.4
470.44266	0.7
476.32129	3.8
492.44244	0.6
494.33258	53.0
495.33279	1.8
503.51505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.2
55.05516	48.4
57.03437	5.2
67.05502	54.5
69.03432	6.6
69.07066	22.8
69.73281	33.1
70.06632	5.0
79.05495	33.8
81.03431	9.1
81.07066	37.3
83.04976	6.4
83.08614	23.2
91.05471	38.3
91.61948	5.9
93.07037	33.8
94.69386	4.9
95.08610	16.5
97.10178	34.8
98.20773	11.9
103.05458	11.2
105.03379	12.5
105.07030	31.6
107.04945	7.7
107.08588	22.9
109.10169	21.7
111.08090	9.3
115.05460	6.5
117.07008	39.2
119.08593	15.9
121.06487	6.1
121.10175	12.6
125.09586	27.6
129.07031	14.7
131.08595	25.4
133.06520	9.0
133.10126	9.6
135.08096	7.9
140.60913	5.3
141.07072	6.7
143.08568	7.9
145.06488	10.1
145.10109	14.7
145.92871	6.0
155.08539	11.0
157.10167	9.5
159.11676	8.6
163.11256	5.6
169.10118	7.1
171.11688	7.6
181.10030	6.0
187.14832	11.2
189.11292	12.7
197.13210	9.7
212.37718	5.8
215.14340	39.2
227.12642	26.0
309.34164	5.6
339.23279	6.0
349.21439	9.2
367.22760	18.6
385.23624	17.5
417.50183	5.1
441.26364	46.7
457.80386	6.0
459.27350	100.0
477.28326	14.5
495.29709	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	494.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01623	0.2
55.01866	0.8
55.05501	1.2
57.03430	0.8
57.07084	0.3
60.04519	0.3
60.58279	0.3
61.02928	0.4
62.89983	0.2
67.05507	1.3
69.03438	2.9
69.07066	3.6
70.06591	0.3
70.63892	0.4
70.64240	0.4
71.04993	15.3
77.05338	0.2
79.05485	1.1
79.05917	0.2
79.29025	0.2
81.03417	2.8
81.07056	2.4
83.04979	0.6
83.08626	0.7
85.02908	5.8
85.06541	1.9
85.38776	0.3
86.18150	0.2
87.00826	2.4
87.68508	0.2
91.03957	0.3
91.05466	0.8
93.07045	3.1
95.04959	0.4
95.08607	6.3
97.02892	2.0
97.06531	1.5
97.10163	0.7
99.04453	45.0
99.08093	0.4
100.04774	0.3
105.01887	1.4
105.07030	1.6
107.08596	5.1
109.02872	1.9
109.06527	0.6
109.10156	3.4
110.32681	0.2
111.08102	0.3
111.11726	0.5
113.09641	5.5
115.07541	2.6
116.32194	0.2
117.01855	0.7
117.46059	0.2
119.08572	3.4
121.10137	1.8
123.08076	1.0
123.11719	2.7
125.09629	2.2
127.03899	2.4
129.12769	0.4
133.10133	3.3
135.11687	16.3
136.12019	0.6
137.09621	0.7
139.11159	1.2
141.09108	0.8
141.12726	2.4
145.04955	0.6
147.11726	0.3
149.13258	1.0
151.14827	3.1
153.12755	1.4
154.08673	0.3
159.02916	0.8
165.16335	0.3
169.15923	0.7
175.14815	5.2
193.15862	4.9
211.16927	100.0
212.17209	2.5
231.05038	0.4
332.11389	0.4
440.29965	0.4
458.30887	0.4
495.16321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.05510	2.1
57.03424	1.3
57.07063	0.7
59.04967	0.4
60.04512	0.6
61.02926	0.8
67.05491	1.7
68.30141	0.5
69.03430	5.0
69.07072	4.2
69.64568	2.0
70.06570	1.6
71.01337	0.8
71.04994	11.7
73.02898	1.1
79.05478	1.7
80.28033	0.4
81.03420	5.8
81.07060	3.1
83.04984	2.3
83.08589	0.6
84.08124	0.6
85.02908	5.6
85.06554	5.1
86.09714	0.9
87.00800	1.3
91.05461	1.8
93.07037	5.6
95.04988	0.6
95.08608	6.1
97.02896	2.5
97.06516	1.9
97.10145	0.8
99.04456	30.3
99.08076	2.1
103.03950	2.7
105.01853	0.9
105.03370	0.8
105.07053	2.6
107.08599	8.0
109.02874	4.3
109.06506	0.8
109.10156	8.5
111.08181	0.6
111.11696	0.4
113.05984	0.7
113.09644	3.0
115.07552	1.3
117.05497	1.3
118.06510	1.2
119.08588	3.4
120.08134	0.7
121.06497	0.5
121.10135	2.1
123.08049	1.0
123.11689	2.6
125.09629	1.6
127.03921	6.2
127.11231	1.0
131.08665	0.4
133.10138	3.9
135.11688	18.5
136.06216	0.5
136.12019	0.5
137.09581	1.1
139.11183	1.1
141.12697	1.7
145.04951	1.3
145.07590	3.7
145.10153	0.6
146.08395	0.9
147.09180	10.3
147.11682	1.3
148.30876	0.5
149.13239	2.7
151.11131	0.6
151.14803	2.4
153.12769	6.5
159.09190	6.9
160.09886	1.3
161.10732	0.9
165.12764	0.6
167.14235	0.4
173.10713	0.6
175.03935	0.9
175.08650	1.3
175.14819	6.3
184.09918	1.0
185.10701	2.1
187.08656	1.4
189.10237	1.5
191.08156	33.0
192.08543	1.0
193.15871	4.2
197.10718	1.2
199.08655	0.6
199.12294	1.3
201.10313	0.7
207.06471	0.7
211.16934	100.0
212.17348	2.7
215.08188	0.8
215.11787	1.5
216.07706	4.7
217.91713	0.4
225.10182	1.2
227.11787	1.0
245.09212	0.6
245.12859	2.6
247.09572	0.8
247.13095	1.0
255.13818	1.0
263.13876	3.0
268.08072	0.5
271.10742	1.8
275.12640	0.7
286.06940	1.0
289.11829	3.4
305.14896	1.7
306.14478	1.3
307.12900	12.9
314.06558	0.7
315.15750	0.5
324.15497	1.0
332.08759	0.6
332.12521	1.5
345.17938	1.0
350.13550	3.3
389.17108	5.8
390.17639	0.6
391.15332	0.9
406.19568	1.3
407.18076	0.5
409.18149	2.2
413.83545	0.6
415.15070	1.8
432.17810	2.9
433.16187	2.4
450.18826	1.3
451.17249	11.5
452.17514	0.9
458.31155	0.7
476.16635	1.6
494.17703	27.0
495.18286	18.1
498.25388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
55.01864	3.9
55.05510	5.8
55.17103	2.1
57.03447	3.1
57.07071	2.4
60.33523	2.3
61.02940	2.8
67.05505	19.2
69.03426	13.7
69.07063	11.1
69.21796	26.6
70.06584	7.2
71.04995	22.8
79.05495	6.6
81.03417	10.6
81.07057	22.7
83.08622	5.2
84.04503	4.2
84.08136	3.0
85.02910	20.3
86.09692	3.1
87.00826	11.2
91.05484	4.6
93.07054	24.4
95.08604	33.2
97.02909	11.7
99.04457	4.9
105.01810	5.5
105.07074	5.3
107.08605	32.6
109.02885	8.5
109.10149	36.5
119.08586	8.6
121.10151	27.3
123.01893	2.4
123.11733	12.0
125.09560	6.0
127.03908	14.2
127.11145	3.3
128.07086	7.1
131.08588	4.3
133.10173	7.9
135.11668	8.9
141.98398	2.4
145.04930	5.0
147.11708	2.8
149.13260	32.7
153.12756	6.1
159.02905	4.6
167.03325	2.5
167.14320	100.0
175.03854	5.4
175.14825	11.0
177.16406	16.2
184.33752	2.4
187.03882	2.6
193.15891	17.5
195.17456	55.1
211.16893	19.6
231.04985	3.7
231.10191	3.8
247.09621	10.1
316.05649	2.9
317.05997	3.5
331.07953	3.5
332.08505	13.0
388.06085	2.7
405.19321	2.9
495.18024	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	494.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20779	0.9
55.05499	3.7
57.07070	2.3
58.06602	19.8
60.04516	1.0
65.03958	1.5
65.84533	1.0
66.13865	1.2
67.05509	5.4
68.08228	1.0
69.07044	1.8
69.76026	1.4
70.06594	10.0
70.22572	4.5
79.05505	1.8
81.03429	1.5
81.07054	4.0
82.61295	1.1
83.04978	13.6
84.04488	3.2
84.08140	15.7
85.06539	1.9
90.29627	1.0
90.97161	1.0
91.05460	4.4
91.82232	0.9
93.07043	17.4
95.08604	2.5
98.06037	2.7
100.07624	3.0
105.07014	2.8
107.04946	4.9
107.08583	1.0
109.10159	1.6
112.07603	3.4
113.05999	2.5
119.08585	2.5
121.02892	7.2
121.10172	1.6
126.09166	1.5
127.09911	1.8
131.08606	1.1
133.10097	2.4
135.11703	1.9
145.02881	2.5
145.10106	2.3
147.04417	1.3
152.27713	1.2
157.10106	1.2
159.04442	1.8
161.06027	2.3
163.03934	1.4
173.02370	4.3
174.03145	1.7
175.03918	5.9
177.05640	1.1
187.03943	2.0
187.07489	1.3
188.04697	1.4
201.01817	16.8
201.05313	1.8
202.02629	4.9
203.03395	5.8
215.03378	10.4
215.14261	1.7
216.04163	8.0
217.04915	13.7
218.02121	9.2
229.05014	6.2
230.02235	1.7
231.02885	49.3
232.03333	1.7
233.04451	62.6
245.04544	1.3
271.09915	2.0
299.09152	10.0
316.11801	4.8
317.10089	12.5
358.12790	18.6
367.15387	1.9
369.16623	1.6
435.21686	4.6
435.32376	2.2
452.24036	1.3
456.52606	1.2
476.35025	1.5
494.25385	100.0
494.35754	9.0
495.25729	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.6
55.01878	8.4
55.05504	2.3
57.03433	6.3
59.05603	1.6
61.02925	7.3
65.74081	1.8
67.05505	2.7
68.99802	2.4
69.03432	32.6
69.07053	4.3
70.06594	5.7
70.52812	6.0
71.04982	6.9
72.08149	4.3
73.02914	10.1
73.85686	1.8
79.05473	3.7
81.03426	31.2
81.07057	11.0
82.06637	2.1
83.04988	3.0
85.02905	100.0
86.03214	2.3
86.09701	6.1
87.00826	37.6
87.04436	3.1
91.03881	1.7
91.05484	5.0
93.07042	7.2
94.06574	2.5
95.08595	14.8
96.08143	4.8
97.02892	35.6
97.06529	1.7
99.04451	18.9
105.01865	55.4
105.07034	11.8
107.04988	1.9
107.08586	8.0
107.29044	1.8
108.08122	5.2
109.02882	41.5
109.10150	5.7
110.09711	2.1
111.08083	2.5
116.05006	3.2
117.01868	5.3
119.08565	19.4
120.08101	5.8
121.10146	5.1
122.05999	2.6
123.11679	3.7
124.03947	2.3
124.07571	15.6
127.02972	4.4
127.03918	91.0
129.01834	3.1
131.08514	2.7
131.22801	1.8
133.10114	13.4
135.11682	7.3
136.07608	4.4
137.13211	2.8
145.04959	45.9
146.06050	2.2
147.02863	4.9
147.11691	8.1
149.13327	2.7
152.07120	2.5
159.02910	28.3
159.04276	2.5
162.05421	3.2
163.14879	2.1
165.16412	1.8
166.08678	3.5
172.03850	3.7
174.05489	2.3
175.03932	3.1
175.14824	47.6
177.03963	2.7
177.05376	1.7
177.16391	2.0
187.03842	1.8
190.04991	23.6
191.14334	2.4
193.15877	43.8
211.16954	24.8
213.03928	4.9
229.08691	3.0
231.04948	27.6
247.09631	13.8
249.06003	10.2
279.11230	3.3
287.05267	2.4
297.12360	5.1
325.11838	36.5
326.12262	2.0
333.06360	2.1
341.11325	3.6
343.12924	5.2
391.77866	1.7
494.19501	2.6
495.14270	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
53.03944	2.5
55.01863	1.8
55.05509	1.0
57.03429	0.6
61.02921	0.6
67.05509	1.9
67.29353	0.4
68.99794	0.8
69.03432	2.7
69.07072	1.0
70.06579	1.4
71.01344	0.4
71.04977	0.4
71.53390	0.4
73.02921	0.6
77.03915	0.4
79.05492	7.3
79.99488	0.4
80.05843	0.4
81.03416	4.2
81.07054	2.9
82.07401	0.4
83.04991	0.6
83.08621	0.7
84.08138	0.6
85.02911	5.7
85.06530	0.4
86.09721	0.7
87.00806	2.0
89.06040	0.5
91.05482	2.4
92.05804	0.4
93.07033	2.0
94.07345	0.5
95.04979	3.5
95.05531	0.6
95.08624	2.0
97.02907	3.5
97.10161	0.7
99.04459	0.8
103.03943	1.8
103.05412	0.4
105.01866	1.4
105.03397	5.0
105.04509	1.2
105.07008	1.7
106.07362	0.5
107.04955	100.0
107.08587	1.2
108.05322	1.9
109.02875	4.3
109.06525	0.4
109.10175	1.0
115.05476	0.5
117.07076	0.6
119.04938	1.1
119.08572	1.2
120.08138	0.4
121.02911	0.8
121.06512	3.2
121.10146	0.9
123.04423	0.5
123.11714	0.7
125.02394	0.5
125.09615	0.6
127.03914	4.6
128.06178	0.8
129.01872	0.7
129.07037	0.7
131.04933	1.1
131.08549	0.8
133.06494	1.3
133.10100	0.9
134.10452	0.4
135.04399	0.8
135.08058	0.5
135.11703	0.5
137.06009	0.6
141.06969	0.4
141.09160	0.4
143.03452	0.5
143.08578	0.8
145.04996	1.1
145.06497	1.2
145.10158	0.6
147.04427	0.7
147.11734	0.7
149.06003	2.6
149.09639	0.5
151.07478	0.4
153.06975	0.8
157.06465	0.5
159.02936	0.8
159.08083	1.0
161.06001	2.6
161.09587	0.7
163.11255	0.5
165.09126	0.9
169.06483	1.1
171.02821	0.5
173.06021	1.3
173.13194	0.4
173.99129	0.4
175.11244	0.4
185.05960	0.7
187.07504	2.0
189.03912	2.5
189.09140	0.7
191.06960	1.8
193.12146	0.5
197.06018	2.4
203.07060	0.9
213.03864	2.5
215.07034	4.5
229.14436	0.5
231.05078	0.6
233.08224	0.7
255.13768	0.6
277.10687	0.5
319.08115	1.1
348.09222	0.4
384.22507	0.8
402.23639	0.8
433.23410	0.4
476.27545	1.0
494.21307	1.4
494.28119	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30516	0.4
53.03953	0.7
55.05498	1.7
57.07061	1.9
57.28640	0.4
59.04984	1.2
65.03935	2.2
67.05511	2.7
68.99814	0.4
69.07062	2.2
69.18887	4.3
71.08611	0.6
78.90156	0.4
79.05481	1.3
81.03436	0.5
81.07051	1.3
83.04977	0.8
83.08609	1.0
84.05282	0.5
85.06525	1.5
85.51335	0.4
91.05484	20.2
93.07063	0.9
95.04951	1.3
95.08599	1.9
103.05486	0.5
105.07020	0.5
107.04956	28.7
107.08540	0.7
108.03252	0.4
108.05265	0.6
109.10157	0.8
111.11730	0.7
119.04943	24.5
119.08610	0.6
123.11684	0.4
128.06186	0.4
131.04950	2.2
135.04404	2.1
139.11224	0.5
147.04449	3.0
155.08517	0.7
159.04433	2.3
161.05930	0.5
163.03905	100.0
164.04227	1.5
171.04442	0.8
173.05911	1.0
175.03908	14.4
176.04475	0.5
177.05498	2.1
187.03860	5.6
187.07541	0.6
189.05469	2.0
199.03941	3.2
201.05481	1.6
203.03421	0.8
212.04585	0.7
213.05533	2.2
215.07022	1.2
217.08684	0.7
219.17435	0.9
221.32616	0.4
226.06122	0.7
227.07060	0.8
229.08624	3.8
231.10233	2.2
239.23418	0.4
241.08650	5.0
243.10196	4.0
245.08109	1.9
247.09625	6.1
253.08376	0.6
257.08112	0.6
259.09698	2.0
279.51718	0.5
295.13345	1.4
301.14471	0.5
310.15225	0.4
313.14249	5.5
313.27426	1.6
331.15469	2.6
475.17368	1.1
493.18686	2.6
493.34100	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1341
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.03964	0.2
55.01862	0.3
55.05508	0.8
61.02926	0.3
67.05496	1.2
68.99816	0.2
69.03436	1.1
69.07068	0.5
69.27532	1.6
70.06590	0.3
71.05000	0.3
72.08149	0.1
73.49773	0.2
78.89040	0.2
79.05503	1.1
81.03421	1.1
81.07070	1.2
81.26119	0.1
83.04974	0.4
83.08614	0.3
84.08144	0.2
85.02911	1.6
85.06511	0.4
87.04460	0.3
88.27972	0.2
89.20786	0.2
91.03925	0.2
91.05485	0.9
93.07034	0.7
95.04974	0.8
95.08615	0.8
97.02892	0.7
97.06528	0.2
98.21565	0.4
99.04453	0.3
105.03407	0.3
105.07026	0.9
105.66166	0.2
107.04939	0.4
107.08600	0.6
109.02869	0.3
109.06519	0.6
109.10168	0.6
111.04464	0.4
117.07021	0.3
119.08596	0.7
121.02893	0.4
121.06490	0.5
121.10158	0.5
123.04472	0.2
123.08080	0.3
125.09624	0.3
127.03922	0.5
129.07001	0.2
131.08572	0.3
133.02850	2.2
133.10110	0.4
135.08095	0.2
135.11728	0.3
137.05977	1.1
137.09584	0.2
138.03122	0.3
145.04982	0.3
145.06470	0.3
145.10156	0.4
147.08084	0.3
147.11742	0.3
149.09576	0.2
149.13231	0.2
149.15086	0.2
150.03142	2.0
151.03938	0.4
151.07629	0.2
159.07976	0.2
159.11693	0.3
165.05473	3.6
165.09039	0.3
166.02637	0.3
167.03403	18.2
168.03705	0.2
177.05440	0.2
184.03665	0.2
193.04976	1.1
193.12225	0.4
201.09137	0.2
209.11717	0.2
217.05063	0.4
218.05743	0.5
219.06538	0.8
231.06561	0.2
232.07231	0.3
246.05313	2.2
259.06064	0.2
273.45853	0.2
287.05447	0.4
288.06277	3.4
299.05463	0.3
315.05035	0.4
316.05774	30.5
317.06100	0.6
331.08112	100.0
332.08463	3.0
333.24915	0.2
341.06564	0.4
383.21912	0.3
401.23123	0.3
457.25827	0.3
474.20752	0.2
475.26816	0.4
493.13330	2.3
493.20108	0.3
493.27374	0.9
493.37631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.134
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
53.03923	0.4
55.01836	0.6
55.05517	1.1
57.03396	0.5
67.01842	0.1
67.05504	2.2
69.03384	0.7
69.07072	0.9
70.06558	0.4
71.04978	0.4
71.53113	0.3
72.08129	0.3
74.16669	0.1
79.05495	2.7
81.03413	2.5
81.07052	2.7
83.04990	0.9
83.08629	1.0
84.04483	0.1
84.08107	0.2
85.02863	0.6
85.06487	0.3
86.09645	0.2
91.05000	0.2
91.05478	2.3
93.07049	2.1
95.04967	1.5
95.08604	1.5
97.02840	0.5
97.06486	0.6
97.10122	0.7
99.04422	0.4
99.08068	0.3
105.03373	0.3
105.07037	1.5
107.04942	1.0
107.08593	1.4
109.02862	0.6
109.06516	0.8
109.10172	1.1
111.04420	1.0
111.08032	0.4
117.07000	0.5
119.08579	1.2
121.02835	0.3
121.06474	0.5
121.10153	1.2
122.03629	0.2
123.04412	0.4
123.08072	0.4
123.11706	0.4
125.09582	0.7
127.03886	0.5
129.06949	0.6
131.08591	1.0
133.02850	1.9
133.06407	0.3
133.10138	0.9
135.04324	0.4
135.08028	0.4
135.11633	0.7
137.05997	1.4
137.09528	0.2
138.03111	0.3
142.07755	0.2
143.08458	0.5
145.06465	0.2
145.10117	1.1
147.04370	0.2
147.08014	0.4
147.11688	0.9
149.05954	0.2
149.09567	0.5
149.13191	0.3
150.03113	1.5
151.03818	0.2
151.07503	0.3
151.11163	0.2
153.05431	0.2
153.06970	0.2
153.09076	0.2
153.12727	0.4
157.06357	0.2
157.10101	0.7
159.08018	0.3
159.11748	0.2
161.06004	0.3
161.09579	0.2
161.13318	0.2
163.11171	0.8
165.04189	0.2
165.05482	3.3
165.09081	0.5
165.12746	0.2
167.03397	20.3
167.07010	0.7
168.03745	0.3
169.10133	0.2
171.07954	0.2
173.09619	0.3
173.13210	0.2
175.07539	0.2
175.11189	0.4
175.14818	0.2
177.01859	0.2
177.05376	0.2
178.04933	0.3
181.12207	0.4
183.11586	0.2
184.03554	0.2
185.13284	0.2
187.11235	0.3
189.09113	0.2
189.11182	0.4
189.12740	0.2
191.07016	0.3
191.10602	0.5
193.04997	1.4
193.12206	1.4
195.10114	0.2
209.11661	0.7
211.13277	0.5
213.12808	0.3
217.04947	0.4
217.12218	0.2
218.05675	0.6
219.06499	0.6
227.12671	0.8
229.08786	0.2
231.06593	0.2
232.07469	0.2
235.13179	0.2
238.16890	0.2
239.36293	0.2
245.08072	0.3
246.05240	2.5
247.13419	0.3
249.14937	0.4
267.15845	0.3
271.05869	0.3
283.15475	0.7
287.05392	0.3
288.06281	2.9
299.05515	0.5
315.05225	0.3
316.05765	29.6
317.06024	0.7
331.08105	100.0
332.08453	2.2
355.22809	0.3
365.21082	0.3
373.23660	0.3
383.22168	0.8
401.23361	1.0
419.24146	0.4
439.24530	0.2
457.25555	0.3
475.26572	1.4
493.13113	1.0
493.20502	0.2
493.27942	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.134
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
52.49150	0.4
53.03952	3.3
55.01878	2.3
55.05505	0.6
55.90134	0.5
57.03431	1.7
59.04988	1.2
61.02912	1.7
64.17258	0.4
65.03942	0.5
65.57501	0.4
66.03270	0.5
68.99785	0.9
69.03426	9.4
69.73226	0.4
70.06592	1.1
71.04984	1.5
73.02921	2.5
73.36711	0.4
79.05495	0.6
81.03421	12.5
81.07051	0.8
84.08191	0.6
85.02908	15.3
86.03216	0.6
86.09714	0.7
87.00831	6.8
91.03977	0.4
91.05468	2.2
91.86913	0.4
93.07066	0.8
93.09370	0.4
94.76384	0.5
95.04976	0.6
95.08596	0.7
97.02886	7.4
98.21527	1.0
99.04455	4.1
103.03900	0.6
105.01868	3.7
105.07027	0.8
109.02882	15.1
115.05460	1.0
117.01839	1.1
119.04926	1.8
119.08580	0.7
120.05268	0.5
121.10158	0.6
125.02252	0.6
127.03918	15.3
128.06215	1.6
129.01851	1.1
129.07001	0.8
131.04926	1.2
133.10100	1.1
143.08574	2.0
145.04964	5.0
147.02939	0.7
147.04395	4.2
151.07501	0.8
153.07011	0.9
154.46725	0.5
155.08641	0.5
157.06519	0.5
159.02892	4.1
159.04387	2.5
159.06502	0.5
159.08038	0.6
165.06943	0.4
171.08084	2.3
175.03912	39.8
176.04233	1.3
181.06477	1.0
184.05132	1.1
185.05971	0.9
187.03920	4.7
187.07454	0.9
189.01912	1.1
189.05467	2.1
191.08244	1.1
199.03824	2.4
199.07547	4.7
203.03447	1.3
203.07034	11.0
207.06554	1.3
208.06847	1.6
209.07153	0.8
210.07288	0.5
213.03851	0.9
213.05603	1.0
215.07118	2.2
217.08586	3.6
227.07028	23.8
228.07510	0.8
229.08615	5.7
231.05025	2.0
241.08618	0.6
245.08095	100.0
246.08432	3.2
270.05237	0.8
273.07553	5.1
287.09183	7.2
288.09476	0.5
307.13052	0.7
315.04959	1.7
331.08115	8.7
341.09857	0.5
353.10019	0.6
370.94815	0.5
451.17166	0.5
494.17828	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04616	1.7
52.41371	1.7
53.03958	11.0
55.01868	10.8
55.05497	4.7
57.03444	8.6
61.02915	7.4
67.05505	4.0
68.99796	4.4
69.03085	2.8
69.03433	43.1
69.07059	5.2
70.17511	6.9
71.04980	8.3
73.02937	9.4
73.03806	1.6
76.22645	1.7
79.05477	4.2
81.03417	40.2
81.07065	8.3
83.01324	2.8
83.04967	3.3
83.08623	3.0
85.02905	100.0
85.06505	2.3
87.00832	46.1
91.03935	2.2
91.05476	3.9
93.07039	6.4
95.04968	4.8
95.08598	6.2
97.02888	46.2
97.06535	4.0
99.04465	18.5
105.01865	58.1
105.02573	3.3
105.07024	9.1
107.08598	13.7
109.02883	50.0
109.06529	10.0
109.10161	6.2
111.08119	3.2
115.07536	3.4
117.01859	5.0
119.08574	4.8
121.06512	3.0
121.10159	12.1
123.08051	3.7
123.11765	2.2
125.09634	5.2
127.03916	90.0
129.01842	4.7
131.08554	6.3
133.10130	22.8
135.08032	5.6
135.11676	2.6
145.04961	42.3
145.10147	3.3
147.02826	2.0
147.11690	11.7
149.09599	4.4
149.13283	5.3
151.11113	2.8
153.09099	4.5
159.02885	22.4
163.11067	1.8
163.14799	4.8
165.12753	4.4
167.06967	9.5
173.13280	13.6
175.03877	3.5
189.03903	2.4
191.14326	24.2
207.06491	2.8
209.08107	4.1
209.15356	42.4
213.03944	7.1
227.16408	52.8
231.04990	29.6
245.07990	2.0
249.06081	7.4
271.05881	2.1
333.31339	1.8
389.94104	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	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.1
55.01870	8.0
55.05503	11.5
57.03431	7.2
61.02918	6.3
67.05498	12.7
67.05833	2.6
69.03429	33.9
69.07072	9.0
70.06590	12.0
70.55767	2.9
71.04989	9.5
71.18552	3.9
71.18919	6.4
73.02907	4.7
78.28380	2.7
79.05485	9.4
81.03408	23.5
81.07047	14.1
81.64156	3.1
82.06581	5.3
83.04977	7.1
83.08618	9.6
85.02906	96.9
86.09705	6.0
87.00829	48.3
91.05491	4.8
93.07040	14.7
95.04982	8.7
95.08599	8.9
97.02892	41.4
97.06517	4.5
97.33371	2.8
98.09675	3.9
99.04451	17.6
100.11243	19.5
105.01865	100.0
105.07034	10.7
107.08587	22.8
109.02879	34.4
109.06495	19.5
109.10146	14.5
111.08082	5.2
118.03885	2.7
119.08570	4.3
121.10143	12.1
123.08051	5.3
127.03912	87.8
129.01834	4.6
131.08595	5.4
133.10139	24.1
135.08049	10.2
139.11246	4.3
139.12305	19.7
140.14420	2.8
145.04959	44.1
147.11667	7.8
149.13268	7.7
152.52534	2.9
153.09109	11.4
154.08722	3.7
159.02899	10.8
167.07014	9.7
173.13298	21.6
175.47169	2.7
180.13548	3.1
182.15440	5.3
191.14305	33.3
191.16966	3.0
209.15289	41.7
210.14963	8.8
213.03909	5.0
227.16435	4.1
231.04918	29.1
248.17619	3.5
249.06133	15.5
299.16504	3.2
365.28928	3.6
371.63998	2.7
409.01382	3.3
438.28513	3.4
474.34265	5.6
492.29901	84.7
492.35718	13.8
493.30310	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38371	0.9
53.03934	3.5
55.01872	4.0
55.05490	2.1
57.03425	2.6
60.04517	2.0
61.02921	2.1
67.05489	2.7
68.99773	2.1
69.03432	12.7
69.07068	1.0
70.06594	10.4
70.74100	1.5
70.74452	1.7
71.04986	2.7
72.08138	2.5
73.02901	2.9
79.05488	3.4
81.03424	13.2
81.07043	3.2
82.06573	2.2
82.47948	0.9
83.04969	1.5
84.04508	1.1
84.08150	1.9
85.02907	29.0
85.06511	1.3
85.96926	1.0
86.09689	2.5
87.00832	11.6
91.05468	3.1
93.07027	4.0
95.04957	3.1
95.08607	2.1
97.02898	9.9
97.06506	1.5
98.06011	1.0
98.20832	1.0
99.04457	6.7
105.01865	7.7
105.07030	2.4
107.04948	8.6
107.08594	2.6
108.04441	1.7
109.02889	11.9
109.10110	1.8
109.84959	0.8
111.04438	1.9
112.07594	1.2
113.02171	0.8
116.07148	0.8
117.01867	1.8
117.07015	3.7
119.04943	1.9
119.08544	1.5
120.08121	1.2
121.02836	1.5
121.06496	2.3
121.10115	2.6
123.04436	2.7
123.08035	1.5
124.05187	1.0
124.07571	1.2
125.05970	1.1
125.07077	1.0
126.05482	1.4
127.03916	15.0
128.06232	1.4
128.07088	13.5
131.08568	1.9
133.10127	2.3
135.08012	1.2
135.69307	0.9
136.07579	1.8
137.05965	1.8
140.04634	1.2
140.10616	1.1
145.02832	1.2
145.04970	7.1
145.06445	2.8
147.04468	1.2
147.11642	1.3
149.09651	6.6
151.03938	1.0
151.07578	1.1
153.05432	1.0
153.09012	0.9
154.04932	1.5
154.08667	1.7
155.07007	1.0
159.02942	5.3
159.07942	1.0
161.05928	1.4
167.07042	100.0
168.07396	1.9
173.09526	1.1
173.13322	1.2
175.03914	2.4
177.05472	1.8
177.09122	13.6
181.08655	1.8
182.08095	1.4
187.07474	1.0
190.13219	1.1
191.10565	1.3
199.11031	0.9
201.09065	1.1
207.06517	3.2
207.10127	1.2
207.13834	1.0
208.14223	1.4
209.08345	1.5
209.11723	31.6
225.14825	1.1
226.15219	1.7
227.12782	25.0
227.16296	2.0
231.05048	2.3
232.05743	1.0
233.11586	1.1
237.11234	5.6
244.09561	1.0
248.07722	2.4
251.12770	1.5
275.12668	1.3
317.13773	3.1
330.13290	1.1
332.13266	1.6
335.14545	1.7
456.29327	1.0
462.01016	1.1
474.30762	1.5
492.18451	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01873	0.2
55.05485	0.4
56.05021	0.1
57.03426	0.2
57.26622	0.1
60.04530	0.2
62.79710	0.1
67.05492	0.5
69.03427	1.2
69.07057	0.3
70.06570	0.3
71.04990	0.3
71.53598	0.2
71.99855	0.1
72.08145	0.3
73.02867	0.1
79.05487	0.3
80.05020	0.2
81.03420	0.9
81.07053	0.7
83.04975	0.2
84.04467	0.2
84.08107	0.2
84.95346	0.1
85.02906	1.0
86.09719	0.2
87.00809	0.5
91.05479	0.3
93.07052	0.8
94.06556	0.4
95.04938	0.3
95.07327	0.1
95.08585	0.4
96.08112	0.5
97.02872	0.6
97.10139	0.2
97.60545	0.1
99.04441	0.4
103.05441	0.2
105.01825	0.3
105.03380	0.6
105.07063	0.3
107.04955	0.2
107.08589	0.3
108.08094	0.3
109.02863	0.8
109.10145	0.3
110.09696	1.0
119.08570	0.4
120.08110	1.0
120.08819	0.2
121.02824	0.3
121.10123	0.2
127.03889	0.8
132.04398	0.2
133.10153	0.2
135.11665	0.3
136.07564	0.2
137.09583	0.6
138.09096	0.8
142.06480	0.2
146.06033	0.2
151.07571	0.3
156.04417	0.2
159.02795	0.2
162.05501	0.7
162.09055	0.3
164.07025	0.1
165.09105	3.6
166.08571	0.7
166.09601	0.5
167.07054	0.4
170.05994	1.0
173.05981	0.2
173.09653	0.2
174.05615	0.2
177.04147	0.3
180.04503	0.2
188.07054	1.3
190.98590	0.1
191.14281	0.2
192.10097	0.2
198.05510	4.0
201.05553	0.1
201.09172	0.1
209.15373	0.4
216.06522	0.5
223.12349	0.3
225.09904	0.1
226.04962	1.6
229.24615	0.2
237.10271	0.6
239.11839	0.6
243.05148	0.7
244.06044	100.0
245.06364	2.6
249.10184	0.2
250.11121	0.2
251.11775	0.6
252.12637	0.2
258.07498	0.2
265.09763	0.6
267.11325	0.4
279.11285	0.4
280.12109	0.2
285.07608	0.2
293.13043	0.3
324.10876	0.3
324.88229	0.2
327.09634	0.2
327.13315	2.3
330.04343	0.2
330.09692	0.2
330.13419	0.2
339.09528	0.3
339.13379	2.9
406.11206	0.6
448.12375	2.8
466.61252	0.2
474.10367	0.2
492.11282	17.7
492.21762	3.2
493.11554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01866	0.5
55.05506	1.8
57.07067	0.4
67.05505	5.1
69.03425	0.9
69.07072	1.3
70.16397	0.7
70.45673	0.2
71.04983	0.6
79.05491	1.9
81.03444	0.9
81.07059	4.6
81.13338	0.2
83.04972	0.8
83.08611	0.8
84.08156	0.2
85.02911	0.4
85.06531	0.5
90.54092	0.2
91.05476	2.1
92.05823	0.2
93.07040	2.0
95.04964	1.2
95.08610	3.5
97.02871	0.3
97.06522	0.5
97.10156	1.4
105.03428	0.4
105.07050	1.1
105.47338	0.2
107.04964	1.6
107.08599	1.7
109.02921	0.4
109.06559	0.8
109.10158	7.1
111.08115	0.2
113.05991	0.2
117.07005	0.6
118.06532	0.2
119.08578	3.0
121.02879	0.3
121.06537	0.9
121.10152	0.9
122.07307	1.6
123.08064	0.5
123.11713	7.5
123.12602	0.4
125.05946	0.2
125.09621	0.9
127.03944	0.4
129.06993	0.3
131.04904	0.3
131.08557	0.5
133.06451	0.3
133.10129	0.5
135.04369	0.2
135.08066	0.5
135.11719	0.4
137.06003	0.4
137.09622	12.2
137.13206	0.3
138.10002	0.2
139.07539	0.5
141.07077	0.2
143.08585	0.3
145.06494	0.4
145.10106	0.7
146.05991	0.5
147.08011	0.4
147.11693	0.3
149.09602	0.5
149.13278	0.4
151.11267	0.2
153.09117	0.2
155.08626	0.2
155.10687	0.7
157.08612	0.2
157.10167	0.2
159.11707	0.3
161.05893	0.2
161.09573	0.3
163.11165	0.3
163.14777	0.2
165.09119	100.0
166.09465	2.0
167.07056	0.8
173.09579	0.2
173.11734	0.5
173.13145	0.2
175.07552	0.3
175.11197	0.6
179.10594	0.2
181.04932	0.2
183.10182	0.7
185.13214	0.2
188.07066	0.5
189.09013	0.2
189.11214	0.7
189.12810	0.4
191.10674	0.3
201.11235	1.7
203.14345	0.3
205.12239	0.2
207.06534	0.2
219.13785	1.1
227.12778	0.4
266.08115	0.4
293.24738	0.3
321.24170	0.5
329.25055	0.2
339.25305	1.0
367.22473	0.3
381.20535	0.3
385.23691	0.2
403.24640	0.2
445.26025	0.4
445.32028	0.2
455.31448	0.3
459.27554	0.9
473.25113	0.4
473.32584	0.4
491.19199	0.3
491.26508	1.3
491.33099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19315	6.0
51.63739	4.9
53.03936	10.4
55.01867	13.8
55.05313	4.0
55.05512	43.0
57.03424	7.9
57.07061	17.9
57.26828	4.7
59.04985	7.8
65.03926	6.4
67.05508	59.9
69.03435	41.6
69.07072	26.3
69.77900	25.3
70.06573	6.4
71.04980	19.8
73.67866	4.9
74.10123	4.4
79.05493	73.1
81.03420	23.0
81.07055	71.4
83.04971	21.3
83.08614	24.2
85.02905	10.6
85.06541	13.0
87.79925	4.9
91.05485	65.9
93.06480	7.3
93.07043	82.7
94.16116	5.5
95.04974	39.5
95.08064	5.7
95.08614	58.9
97.02876	7.2
97.06524	18.9
97.10175	24.6
105.07036	74.4
107.04960	50.0
107.08586	55.8
109.02862	9.3
109.06529	31.8
109.10180	34.5
111.08065	13.0
115.05406	8.0
117.07057	30.3
119.08585	65.7
121.02905	7.1
121.06503	33.4
121.10150	46.1
123.04369	5.4
123.08053	15.3
123.11682	16.6
125.09648	26.8
127.03863	7.5
128.06207	11.6
129.07018	14.7
131.08575	63.0
133.06499	10.6
133.10136	47.3
135.08043	15.1
135.11693	20.3
137.05981	6.5
137.09607	12.1
141.06987	7.7
142.07755	6.3
143.08549	31.2
145.06477	8.6
145.09059	7.7
145.10126	100.0
146.10898	7.4
147.04405	9.1
147.08017	13.7
147.11691	49.9
149.09590	13.5
149.13254	5.8
151.11186	14.9
155.08568	25.1
157.10123	34.5
159.11687	35.6
161.09644	13.6
161.13249	21.1
163.07483	5.1
163.11169	19.0
165.07005	5.8
165.09180	10.9
167.08577	5.7
167.10695	6.9
169.10112	27.0
171.08087	6.6
171.11674	26.9
173.09628	9.9
173.13240	20.8
175.11157	10.7
175.14804	6.6
177.12634	7.0
181.10143	21.2
183.11676	18.0
185.13278	18.2
187.11235	5.2
187.14830	11.5
189.11205	13.0
189.12735	27.6
191.14328	10.3
193.10226	6.0
193.12212	8.8
195.11732	27.4
197.13249	28.8
199.11325	5.3
199.13187	7.6
199.14857	18.1
201.12669	6.2
201.16341	6.6
203.14258	9.8
207.11626	13.6
209.13400	10.6
211.14900	10.0
213.12814	10.6
213.16434	7.2
215.14377	7.9
219.13724	23.2
221.13370	6.3
223.14856	28.2
224.15697	5.1
225.16356	14.8
227.12770	15.4
229.12337	5.1
237.16429	5.9
239.14449	7.9
239.17825	11.7
249.16513	13.7
251.17909	8.5
265.19528	8.7
267.17523	13.6
273.14960	6.5
283.20474	7.3
285.18478	17.0
293.22531	15.8
295.20471	6.0
309.22165	9.0
311.20151	8.5
311.23700	17.7
313.21478	8.5
317.22690	5.1
325.21661	6.7
327.23151	74.2
329.21005	14.4
329.24588	7.6
335.23618	18.8
349.21405	8.7
353.24957	36.1
367.22644	26.0
371.25858	47.5
385.23669	32.6
395.25723	18.6
413.26727	18.8
431.27939	73.4
459.27481	54.0
491.24518	10.1
491.31192	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01865	7.7
55.05513	4.0
61.02909	4.4
67.05502	3.5
69.03431	24.7
69.07046	5.2
70.06597	16.9
70.45580	10.6
71.04969	10.0
72.08147	4.3
73.02904	4.7
74.85770	2.6
79.05478	5.2
81.03446	19.6
81.03841	4.8
81.07054	18.8
83.04985	4.1
84.08149	5.1
85.02908	51.3
85.06528	5.7
86.09695	8.2
87.00806	17.7
89.18838	3.9
89.98576	2.8
91.05476	11.3
93.07037	11.0
95.04959	8.8
95.08599	14.9
97.02885	17.3
97.06557	5.9
99.04440	14.8
100.59904	3.3
105.01865	16.0
105.03383	4.1
105.07011	16.2
107.08598	32.0
109.02897	23.5
109.06525	30.5
109.10162	5.6
111.08089	4.7
117.08157	2.8
119.04891	3.3
119.08599	15.3
120.08124	5.7
121.02896	3.9
121.06498	5.8
121.10126	16.3
123.08058	33.2
123.11688	8.7
125.09628	8.8
127.03902	35.0
129.01836	2.9
129.10194	4.2
131.04945	4.3
131.08583	11.6
133.10141	3.7
135.11633	5.4
137.09604	5.0
137.13203	5.8
139.11168	3.1
143.08597	4.2
145.04932	12.5
145.10048	7.5
147.11688	29.4
149.09627	38.5
151.07527	35.8
156.09352	6.5
159.02888	8.2
159.11748	4.0
161.13234	4.1
163.11174	3.4
165.12697	25.4
167.07063	3.4
167.10645	14.0
171.11670	15.6
177.05452	4.7
179.14278	16.1
181.12212	4.7
182.09892	2.6
183.03011	3.4
183.13803	7.7
189.12723	27.9
190.08575	3.6
205.60753	2.9
207.06563	4.6
207.13792	100.0
212.38141	3.2
213.04019	4.5
225.14838	22.9
231.04971	9.0
271.05917	5.7
309.07278	3.3
322.07858	4.5
328.08340	6.5
328.15439	9.3
352.09064	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	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
54.89882	0.6
55.01862	2.0
55.05519	3.8
57.03424	2.8
59.04989	0.8
61.02912	0.8
63.61444	0.6
67.05490	2.2
69.03150	0.6
69.03433	6.4
69.07058	1.5
70.06579	0.6
71.04976	2.1
73.02910	1.3
79.05482	1.4
81.03422	7.5
81.07055	5.9
83.04978	6.8
83.08613	0.7
85.02905	28.4
85.06533	0.8
87.00828	6.9
91.05459	1.9
93.07056	2.8
95.04959	2.2
95.08605	3.2
97.02899	9.7
97.06522	2.7
98.20804	1.3
99.04464	4.1
105.01858	6.6
105.03400	0.8
105.07037	5.4
107.07975	0.7
107.08606	7.7
109.02889	9.1
109.06514	12.7
109.10139	5.5
111.08080	4.4
117.01843	1.0
119.08581	6.3
121.09320	1.1
121.10139	13.6
121.49992	0.6
123.08080	4.8
123.10842	1.2
123.11704	14.0
125.09609	0.9
127.03920	11.7
129.01805	0.9
131.08537	0.9
133.10141	1.2
135.08043	1.4
135.11650	1.7
137.05959	0.9
137.09618	28.3
137.13266	1.4
145.04926	4.1
145.10139	1.0
147.08055	1.1
147.11702	14.2
148.12044	0.7
149.09628	6.7
151.07547	2.1
151.11244	0.8
156.09393	0.9
159.02867	2.7
161.13251	6.5
163.11163	1.6
165.12750	100.0
166.13086	2.0
171.11678	2.2
174.10368	3.0
179.14314	7.8
189.12761	14.9
207.13805	44.9
208.14174	1.0
213.03899	0.8
231.05025	4.3
251.15730	0.6
287.05609	1.2
337.11475	0.8
396.81320	0.6
419.16696	1.0
443.78625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.6
55.01872	3.0
55.05511	5.2
58.90595	1.5
59.04996	2.0
60.04543	1.7
67.05498	2.1
69.03417	5.5
69.07063	1.5
69.69398	7.7
70.06590	12.7
71.04995	3.0
72.08157	3.0
79.05488	4.1
81.03419	6.0
81.07048	5.7
83.04983	2.6
84.08131	3.5
85.02908	17.2
86.09704	6.8
87.00828	3.3
87.04429	1.9
91.05488	6.1
93.07056	3.5
95.04980	2.2
95.08599	3.2
95.97466	1.5
97.02900	5.7
99.04449	3.3
105.01869	1.9
105.03416	2.9
105.07018	15.5
107.08596	10.8
109.02879	5.1
109.06509	4.8
111.04407	2.5
111.08028	1.6
117.07008	2.4
119.04938	1.4
119.08569	20.6
120.08131	3.3
121.02851	6.5
121.06526	2.7
121.10126	10.2
122.03235	2.8
123.08048	4.2
123.11684	9.7
124.07632	2.0
127.03919	6.0
128.06233	1.6
128.07079	2.2
129.07034	1.7
131.08574	9.3
133.10135	5.9
135.08037	14.4
135.11687	4.2
141.06972	2.1
143.08553	5.9
143.15538	1.7
145.10106	8.0
146.10561	1.6
147.08034	13.5
147.11674	19.9
149.09602	10.0
155.08682	1.5
156.09351	13.7
161.09637	2.8
161.13260	5.8
163.11206	1.5
165.12805	3.2
171.11681	28.7
174.10532	1.8
178.04955	3.2
179.05481	1.6
189.12721	28.1
206.04486	6.2
207.04779	3.5
207.06593	2.8
207.13799	100.0
208.05009	2.8
208.14203	1.7
222.07744	1.5
224.16475	2.9
225.14833	2.6
473.47961	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	490.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.01874	1.3
55.05501	3.7
57.03447	1.1
59.04991	1.0
67.05497	3.9
69.03419	4.3
69.07054	1.6
69.72074	2.9
69.72484	2.8
70.06591	4.5
71.04990	2.7
72.08147	1.8
79.05480	4.2
80.04974	0.9
81.03415	2.6
81.07055	4.3
83.04984	1.6
84.08141	1.8
85.02896	8.5
85.06534	3.9
86.09694	2.0
87.00819	1.7
90.39173	0.9
91.05482	9.2
93.07048	5.3
95.04946	2.2
95.08588	5.5
97.02885	2.3
98.20795	1.8
99.04442	2.5
103.05453	3.3
105.01871	4.3
105.07027	34.9
107.08590	8.8
109.02887	2.3
109.06513	10.2
109.10147	2.4
109.18119	0.8
116.07047	0.9
117.07010	4.0
117.61776	0.8
119.04880	1.2
119.08577	34.4
120.08054	1.7
121.10135	9.8
123.08060	8.3
123.11692	4.6
127.03926	4.4
128.07068	1.7
129.07005	1.7
131.08574	5.7
132.09363	1.4
133.06487	2.8
133.10202	1.3
135.08046	1.5
135.11702	1.1
137.09592	4.1
137.13164	1.6
143.08530	1.3
145.02924	1.2
145.04973	1.9
145.10126	12.7
147.08034	2.9
147.11684	61.3
148.12006	1.1
149.09615	11.8
151.07539	3.7
156.09352	2.7
159.02888	1.1
161.06000	2.1
161.13164	1.0
163.11201	4.8
165.12747	11.3
167.07016	1.1
171.11682	6.1
174.10345	1.1
177.05573	1.3
183.76572	0.9
189.12737	58.7
190.13098	1.6
193.08662	1.6
207.13794	100.0
208.14038	1.2
225.14833	4.1
231.13618	1.1
249.06137	1.4
266.38519	1.1
330.15112	1.1
352.48599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13470	1.3
53.03930	4.8
55.01857	4.2
55.05513	3.0
57.03436	3.0
57.97257	1.6
59.04998	2.4
61.02925	1.9
67.05472	2.4
69.03428	13.0
69.07055	4.1
69.46852	11.7
69.47265	2.6
70.06583	7.7
70.52737	1.6
71.04987	3.8
71.62450	1.7
72.08134	2.7
73.02898	3.9
79.05490	4.4
80.77317	1.5
81.03423	14.6
81.07051	5.3
83.04955	2.0
85.02438	2.4
85.02908	30.9
86.09698	3.5
87.00830	11.7
87.04471	2.7
91.05479	10.0
93.07044	12.7
95.04956	2.5
95.08613	3.9
95.55010	1.4
97.02893	14.1
97.06524	2.8
98.20762	3.1
99.04448	7.1
105.01877	16.3
105.03368	3.0
105.07009	16.2
107.08575	13.1
108.87046	1.5
109.02851	12.9
109.06520	3.7
109.10159	3.4
117.01861	2.5
117.07020	2.1
119.04911	4.6
119.08575	13.7
121.06583	1.9
121.10127	9.3
123.04417	2.0
123.08059	4.6
125.05967	1.8
127.03905	27.2
129.01823	1.7
129.07013	1.7
131.08571	10.3
133.10107	4.2
135.08043	5.0
135.11699	2.3
135.30629	1.5
137.09619	2.9
138.09183	2.2
139.11192	4.0
141.06947	2.2
143.08566	6.5
145.04942	10.5
145.10126	7.8
147.08054	3.8
147.11673	15.9
149.09619	12.6
151.07462	1.6
151.11205	5.7
156.09343	26.0
159.02916	7.2
159.11693	6.8
161.13243	10.1
163.11151	1.8
165.12737	14.1
171.11679	81.5
172.12030	2.1
175.03896	3.8
177.05495	2.5
177.12715	2.0
180.53806	1.4
189.12724	46.8
194.43842	1.5
197.11607	1.8
207.06487	4.9
207.13799	100.0
208.14151	2.6
213.03905	1.9
223.13260	2.7
225.14848	22.7
231.04974	6.3
242.17476	3.0
295.06030	2.4
333.16739	2.6
393.18643	1.6
413.17044	4.4
437.18158	4.6
455.18948	8.1
473.19669	11.1
490.22736	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.4
55.01873	10.2
55.05508	5.8
56.05042	2.5
56.08966	1.9
57.03437	5.5
59.04995	4.2
59.62518	2.2
61.02909	6.7
67.05509	6.0
68.64499	2.0
68.99794	4.0
69.03430	33.2
69.07072	11.0
70.06593	15.3
70.64829	3.8
70.65200	4.3
71.04971	5.6
71.32557	1.9
72.08144	4.6
73.02917	6.9
79.05479	8.2
81.03410	30.7
81.07073	10.8
83.04985	8.5
84.08154	3.3
85.02908	86.0
86.09699	6.7
87.00829	29.5
87.04457	4.6
91.05472	10.1
93.07039	18.8
95.04957	7.2
95.08598	12.2
97.02895	27.3
97.06528	5.1
99.04446	20.3
101.06031	3.0
105.01862	36.3
105.03381	3.4
105.07033	20.1
107.04925	2.0
107.08601	25.5
109.02874	45.0
109.06524	14.0
109.10139	6.2
111.04472	3.4
111.08117	4.2
113.06039	2.4
115.03945	2.2
116.07150	2.2
117.01886	2.4
119.04960	2.3
119.08584	16.3
120.08125	2.3
121.06497	3.4
121.10115	12.0
123.04464	2.8
123.08108	12.5
125.02387	2.4
125.09579	2.0
127.03919	77.9
128.07080	3.7
129.01863	5.5
131.08591	4.0
133.10144	8.1
135.08109	2.8
136.07567	1.9
137.05936	2.1
137.09625	5.2
138.09122	2.4
139.11189	8.4
143.08565	4.0
145.04959	27.8
145.10114	4.0
147.02875	2.6
147.08037	3.7
147.11714	20.7
149.09619	10.6
151.07550	5.5
151.11188	25.9
156.09300	3.6
159.02885	17.4
159.11655	3.9
161.09673	2.5
161.13249	19.1
163.11180	2.2
165.09129	2.5
165.12721	5.4
167.10555	2.0
171.11713	6.7
174.10368	2.9
177.05362	2.2
177.12801	5.4
179.14355	3.7
189.04025	2.5
189.12759	31.4
205.12239	3.9
205.74104	2.1
206.15335	3.8
207.06616	3.8
207.13803	80.0
207.15761	4.6
213.03867	12.8
223.13297	8.5
225.14847	100.0
231.05003	27.3
237.10432	1.9
242.17407	2.9
243.15898	4.6
249.06096	8.2
261.14886	2.3
267.15851	5.5
274.68002	2.0
315.15909	3.8
333.16904	11.7
351.18106	3.7
352.08954	2.4
393.19193	3.2
407.05295	2.1
411.20200	5.4
413.17087	3.6
419.16708	4.2
437.18100	26.6
455.19083	34.7
473.20145	26.8
490.22934	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	490.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93110	0.4
53.03942	0.9
59.33018	0.4
63.07716	0.4
65.03931	0.8
69.03417	2.8
69.07040	0.7
70.06569	2.1
70.57496	1.3
77.03918	0.7
79.05475	0.6
81.03418	2.7
81.07024	0.9
83.08593	0.5
85.02897	4.5
87.00818	1.3
87.04450	0.7
91.05479	15.2
93.07041	2.1
95.04927	1.5
95.08568	0.5
96.02526	0.5
97.02905	3.0
97.06506	0.8
99.04432	1.2
103.05464	0.7
105.01870	0.8
105.03380	8.5
105.07010	1.7
107.08585	1.8
109.02847	1.7
109.06476	0.7
117.03345	0.5
119.04932	24.4
119.08547	1.2
120.05244	0.5
121.02874	0.7
121.06492	4.2
121.10110	1.2
123.08052	2.0
127.03912	2.2
129.03343	0.8
131.04892	0.9
132.02119	0.9
133.10106	0.5
135.04408	0.4
137.09514	0.7
139.11168	1.4
145.02931	0.5
145.04922	0.8
145.57318	0.5
147.04407	22.7
147.11671	1.2
148.04755	0.8
149.02441	0.6
149.09607	1.2
151.07520	1.2
151.11150	1.7
157.03967	2.5
159.02899	1.1
159.11714	0.5
161.13219	0.7
163.34969	0.5
164.04724	0.7
175.03903	41.8
176.04277	1.3
177.29321	0.4
179.07031	1.8
180.20528	0.5
189.12750	2.0
192.04150	0.8
207.06517	100.0
207.13782	8.0
208.06894	2.8
225.07535	0.6
225.14824	9.5
231.05240	0.9
242.11784	7.3
243.12373	0.7
268.72791	0.6
289.75858	0.5
351.10739	0.9
359.60770	0.5
369.12180	0.9
490.22641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01869	1.8
55.05501	0.9
57.03423	1.5
59.04981	0.8
60.04507	1.0
61.02911	2.0
67.05505	1.5
68.99777	1.9
69.03448	3.9
69.07074	0.9
70.06599	4.3
71.04971	1.2
71.53075	1.1
72.08167	1.5
77.00053	0.7
79.05490	1.7
81.03419	5.0
81.07066	4.0
82.07401	0.8
83.04955	2.0
84.04510	0.9
84.08129	1.7
85.02443	1.1
85.02908	14.5
85.06525	1.7
86.09698	1.7
87.00819	2.7
91.05466	2.7
93.07030	2.7
95.04985	1.8
95.08594	3.2
97.02878	3.8
97.06528	2.8
99.04446	2.9
101.02383	0.7
101.54299	0.7
103.03954	1.1
105.03374	1.5
105.07046	3.7
107.04942	1.1
107.08584	3.3
109.02893	4.0
109.06501	2.4
109.10152	3.0
110.10442	0.8
111.08001	1.0
111.35715	0.6
119.04948	0.7
119.08566	2.8
120.08111	1.2
121.02824	1.1
121.10121	3.3
123.04431	0.8
123.08054	1.7
123.11692	2.4
125.09585	0.7
127.03910	5.3
129.01833	0.8
129.10219	0.8
131.08545	2.2
133.10095	0.8
135.08035	1.5
137.05934	1.3
137.09613	4.6
139.07491	1.8
145.04910	1.7
147.08046	2.3
147.11679	2.7
149.09616	3.5
151.03915	7.2
151.07524	2.2
159.02917	1.0
161.13283	1.6
161.35104	0.8
162.05548	4.6
163.11232	0.8
165.09091	3.3
165.12746	11.4
167.07178	0.9
171.11661	0.8
175.91110	0.8
177.05371	0.8
178.04987	6.6
184.07672	1.1
189.12727	6.0
198.09279	1.2
198.17091	0.7
200.07091	2.1
207.06566	1.0
207.13821	9.4
210.09142	3.3
212.07011	1.1
213.07785	1.0
224.10649	0.9
225.07784	1.2
225.14922	1.5
226.05003	2.1
226.08621	5.7
227.09151	0.8
234.09134	4.1
237.07947	1.5
238.08620	20.2
239.05579	1.6
239.09055	0.9
240.06493	1.2
241.07350	25.4
242.08109	9.2
242.17523	1.2
248.10699	3.6
250.08656	3.8
251.09448	1.6
252.06589	1.8
252.10210	14.8
254.08121	100.0
255.08731	11.0
256.09451	1.2
261.07840	3.2
262.08536	0.9
265.07346	5.9
266.08112	21.6
266.11722	7.4
267.08661	0.9
268.06277	1.7
268.09702	4.6
276.10211	18.5
278.08118	5.3
279.08838	10.2
280.06250	2.8
280.09680	43.4
281.10022	1.5
282.07715	1.8
284.09177	83.2
285.09488	2.9
290.08154	0.9
291.08862	0.8
292.09744	1.2
294.08041	1.4
294.11224	34.0
295.11456	1.1
296.09274	1.6
304.09671	22.4
305.10104	1.3
306.07629	1.6
308.09161	53.5
309.09482	3.2
320.08743	1.0
322.10809	6.4
327.08755	1.0
328.08917	2.5
332.09134	15.6
333.09720	1.8
338.10178	1.0
350.10233	62.2
351.10559	3.1
368.11304	6.2
386.12323	4.0
392.11133	1.7
410.12106	4.6
436.10306	3.6
454.11362	53.3
455.11581	3.0
472.05853	0.5
472.12424	13.4
472.18750	1.0
490.13721	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	490.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.1
58.99583	0.1
63.10749	0.1
67.05487	0.2
69.03415	0.4
69.07052	0.1
69.53557	0.1
70.06582	0.3
71.04967	0.1
71.53330	0.1
72.08150	0.1
75.49107	0.1
79.05467	0.1
79.65767	0.1
81.03401	0.3
81.07042	0.4
84.08119	0.2
85.02898	0.4
85.06525	0.1
86.09711	0.1
87.00851	0.1
91.05469	0.3
93.07028	0.2
95.04939	0.2
95.08593	0.3
97.02867	0.2
97.06506	0.2
99.04456	0.2
105.03362	0.3
105.07020	0.3
107.04890	0.1
107.08566	0.3
109.02872	0.3
109.10130	0.1
119.08566	0.2
121.02807	0.2
121.10123	0.2
123.08032	0.2
125.05945	0.1
127.03905	0.3
131.08647	0.1
133.06505	0.2
133.10023	0.2
137.05894	0.1
144.08075	0.2
145.10240	0.1
147.07944	0.1
147.11720	0.1
162.05478	0.1
165.09113	0.4
165.39583	0.1
167.07118	0.2
167.10657	0.1
168.08064	0.2
171.11613	0.1
172.07585	0.4
173.08299	0.4
174.09123	0.3
189.12749	0.5
191.06851	0.1
196.07553	0.7
200.07083	3.1
207.13786	0.6
214.08629	0.2
218.08124	0.3
224.07050	0.3
225.14885	0.1
227.05772	4.7
228.06244	0.2
241.07220	0.2
242.08109	100.0
243.08461	2.5
270.06046	0.1
284.05682	0.2
299.04770	0.3
300.03058	0.2
303.01071	0.2
303.04312	2.7
312.02048	0.3
313.02423	0.1
327.04294	0.3
329.05856	0.2
329.89420	0.1
331.03668	0.2
345.05325	0.2
355.03815	1.3
356.04178	0.1
357.05255	0.3
373.00339	0.2
373.04883	2.6
374.05441	0.2
388.07248	1.5
389.07761	0.6
404.13428	1.3
412.06052	0.4
446.14795	0.1
456.83289	0.1
458.06464	4.0
459.06982	0.2
472.12289	0.2
490.14197	2.1
491.14008	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	489.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
53.12473	0.9
55.01849	1.6
55.05510	16.6
56.34262	1.0
57.03421	4.2
57.07058	2.6
59.04990	2.9
65.03934	2.5
67.05505	71.9
69.03436	1.4
69.06794	1.0
69.07069	10.6
69.39180	7.8
71.04971	4.0
79.05492	25.6
81.07057	33.8
81.95329	1.0
82.07375	1.3
83.04935	1.7
83.08630	8.6
85.06515	2.6
91.05480	19.2
93.07043	29.5
95.04956	3.7
95.08606	25.2
97.06551	1.7
97.10156	3.3
105.04532	1.5
105.07027	21.2
106.86945	1.1
107.08600	18.3
109.06505	1.7
109.10158	44.2
109.34013	1.1
110.10441	1.2
111.08068	2.6
117.07040	9.1
119.08581	25.4
120.08907	1.3
121.10143	15.1
123.08099	1.5
123.11703	4.1
125.09634	2.2
129.06973	2.2
131.08560	12.0
133.10135	15.0
134.51860	1.1
135.11707	9.6
137.09618	3.6
137.13213	1.2
138.56329	1.1
139.11172	1.7
141.06993	1.6
143.08556	4.0
143.49063	1.0
145.10123	13.2
147.11671	10.2
149.13232	4.0
155.08525	2.9
155.10643	2.0
157.10103	3.6
159.11716	8.5
161.13261	7.6
163.11121	1.5
163.14838	1.7
169.10117	2.5
171.11650	5.0
173.11726	11.1
173.13257	7.2
175.14796	2.7
176.47841	1.1
183.11719	2.5
185.13284	5.1
187.14792	4.1
195.11578	1.1
197.13280	2.1
199.13167	1.7
199.14874	2.7
201.16470	1.4
203.17809	1.1
211.14900	1.8
213.14755	1.9
215.17973	1.1
221.13203	1.2
227.18022	1.3
239.18089	1.3
241.19440	1.9
243.21254	1.0
259.20575	2.4
261.22104	4.7
271.20456	1.2
275.20117	1.3
285.22064	2.2
299.23883	1.3
317.24887	2.4
353.09171	1.8
353.13577	36.9
354.13770	2.5
379.30038	8.9
397.30905	12.3
415.31964	3.1
433.32983	1.7
471.34549	10.9
489.26028	41.8
489.35596	100.0
490.26291	4.9
490.36313	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	489.3574
Annotation	Cimigenol
Peak:m/z	Relative Intensity
50.61506	0.9
53.03949	2.3
53.80561	1.1
55.01867	2.2
55.05513	16.1
57.03431	4.4
57.07071	1.5
59.05011	1.0
62.85437	0.8
65.03951	1.4
67.05507	47.1
69.07064	11.3
69.23544	11.0
71.04995	2.9
79.05495	20.8
81.07062	27.9
83.04981	1.4
83.08621	8.1
85.06530	2.0
91.05479	19.2
93.06480	2.3
93.07045	26.1
93.71415	1.0
95.04957	3.5
95.08609	24.4
97.06529	2.8
97.10177	3.4
105.07034	22.7
107.08591	16.3
109.10157	26.1
111.08089	2.2
117.06993	7.7
119.08585	24.9
121.10159	13.6
123.08086	2.3
123.11686	1.3
129.06982	3.1
131.08562	14.4
133.09158	1.5
133.10143	17.9
135.08125	1.0
135.11705	8.0
137.09615	2.5
139.11133	1.5
141.06961	1.8
143.08592	5.2
145.10126	16.6
147.11697	12.7
149.13243	4.2
155.08556	2.5
155.10706	1.1
156.09320	1.2
157.10153	4.1
159.11696	10.6
161.13298	7.1
169.10153	1.6
171.11691	5.4
173.11751	5.9
173.13289	6.6
175.14835	2.9
183.11734	3.3
185.13306	4.3
187.14870	4.1
188.55380	1.0
189.11086	1.0
197.13313	2.9
199.14871	2.8
201.16391	3.8
202.37149	1.1
205.15886	1.2
211.14864	2.2
213.14746	2.5
213.16507	2.2
218.84454	1.1
225.16444	1.2
227.17996	1.4
231.21165	1.4
238.81775	1.0
239.17918	2.6
249.34337	1.0
257.18829	1.3
259.20599	2.1
261.22092	2.1
271.20630	2.0
273.22284	1.6
285.22275	1.4
303.23233	1.4
315.23206	1.4
317.24869	1.9
335.22095	1.2
353.13632	9.1
377.27002	2.7
379.29996	8.9
391.28543	1.5
397.31076	14.6
415.32166	4.3
433.32687	1.5
453.33698	1.4
471.34711	14.6
489.26547	5.5
489.35809	100.0
490.35983	5.8
503.02515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3579
Annotation	Cimigenol
Peak:m/z	Relative Intensity
51.02371	1.4
53.03935	3.7
55.01863	2.2
55.05515	15.6
57.03426	4.6
57.07077	2.8
59.05001	2.2
65.03932	2.8
65.93048	0.9
67.05505	55.5
69.07069	13.7
69.42983	8.4
71.04981	3.8
77.03915	1.0
79.05496	25.8
81.07059	32.8
83.04953	2.1
83.08618	6.5
85.03745	1.1
85.06550	3.5
91.05485	23.9
93.07052	29.1
95.04967	3.8
95.08614	27.8
97.06529	3.4
97.10157	5.1
105.07036	23.3
106.07349	1.1
107.04967	1.3
107.08591	22.1
109.06521	1.8
109.10160	30.0
111.08081	2.4
115.05414	1.3
117.06997	8.4
119.08583	27.5
121.10141	16.0
123.08070	1.0
123.11734	3.8
125.09682	2.3
129.07004	4.4
131.08554	19.1
133.09242	1.9
133.10138	18.8
135.08052	1.5
135.11690	9.0
137.09616	1.9
139.11137	2.9
141.06999	1.7
143.08569	7.4
145.10132	15.5
147.11684	14.3
149.13287	5.3
155.08694	2.1
155.10681	1.3
157.10097	6.8
159.11696	14.5
161.13290	6.6
163.14801	2.9
169.10150	3.8
171.11699	6.6
173.11731	6.0
173.13275	10.4
175.14850	3.7
183.11679	3.9
185.13129	5.2
187.14748	4.9
189.16382	1.6
197.13315	3.7
199.13179	1.5
199.14857	4.1
201.16371	2.5
209.13351	1.1
211.14757	2.7
213.14832	3.0
213.16556	1.5
223.17046	1.1
224.96051	1.2
225.16499	2.0
227.17986	1.9
239.18109	1.6
245.18976	1.2
255.21092	1.1
259.20624	3.2
261.22253	3.3
273.22272	2.4
285.22110	2.9
299.23694	2.0
318.71353	1.5
377.26962	2.6
379.29947	9.2
382.62799	1.3
391.28757	1.5
397.31067	15.1
397.69778	1.5
415.32187	4.4
431.31482	1.1
433.33295	1.9
435.32391	1.4
443.35031	1.2
453.33536	2.2
471.34671	15.6
489.15631	3.6
489.35770	100.0
490.35779	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	489.3576
Annotation	Cimigenol
Peak:m/z	Relative Intensity
52.55173	0.7
53.03938	1.9
55.01866	1.3
55.05511	14.4
57.03437	2.1
57.07081	2.3
59.04990	1.8
61.06847	0.7
65.03945	2.4
67.05507	66.1
69.07074	13.2
69.74775	1.7
69.75182	3.8
71.04990	3.0
72.19830	0.9
79.05494	24.7
79.05959	1.3
81.03430	1.3
81.07059	30.4
83.04962	2.3
83.08631	8.1
85.06543	1.7
91.05482	20.4
93.07048	29.6
93.07637	1.7
95.04972	2.7
95.08612	23.7
97.06520	2.0
97.10171	2.1
99.08081	1.1
105.07037	20.3
107.08598	20.5
109.06464	1.3
109.10159	41.1
111.08102	3.3
117.07034	7.6
119.08582	23.0
121.10144	13.8
123.08067	1.9
123.11730	2.8
125.09576	0.9
128.06195	1.1
129.06990	4.1
131.08569	14.5
131.50781	0.8
133.10136	16.5
135.11681	9.2
137.09601	1.9
139.11147	1.9
141.07027	1.3
143.08508	4.2
145.10132	16.4
147.11685	10.3
149.13275	4.8
152.71002	0.9
155.08511	1.2
155.10649	2.4
157.10109	4.5
159.11720	12.4
161.09648	1.0
161.13254	6.3
163.11180	0.8
163.14819	2.0
169.10132	1.6
171.10455	0.9
171.11705	4.8
173.11755	12.3
173.13277	7.1
175.14859	3.0
179.08627	0.8
181.10107	1.3
183.11745	1.9
185.13232	4.6
187.14828	3.8
189.16351	1.0
197.13219	2.6
199.14835	2.8
200.66777	0.9
201.16434	3.1
211.14903	1.7
213.14795	1.7
213.16586	1.4
239.17967	1.5
241.19463	1.4
243.21233	1.5
253.19730	0.9
255.21150	1.1
259.20605	1.7
261.22119	3.2
271.20456	1.7
273.22223	1.4
285.22186	1.5
299.23657	1.8
301.21283	0.8
317.24588	1.3
377.26929	2.9
379.29990	5.7
397.31021	13.4
405.29898	1.0
415.31854	3.9
424.05084	0.8
433.33304	1.9
435.32510	1.1
453.33490	1.6
471.34601	11.6
489.35773	100.0
490.36044	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	489.3574
Annotation	Fomitopinic acid A
Peak:m/z	Relative Intensity
55.01871	2.6
55.05500	10.5
57.07070	3.0
59.04989	7.1
67.05503	22.1
69.02313	2.3
69.03438	12.0
69.07048	13.9
70.06580	2.2
71.53382	3.9
79.05492	18.8
81.03395	9.3
81.07063	32.0
83.04967	7.3
83.08626	7.0
85.06536	4.7
91.05478	20.2
93.07044	36.3
95.04964	7.0
95.08611	37.0
97.06525	7.7
97.10218	3.8
99.08103	2.7
105.07031	36.3
107.04947	2.6
107.08596	46.1
109.06500	7.1
109.10159	29.1
111.08074	3.4
111.11685	3.9
117.07016	11.8
119.08586	42.7
120.08028	2.6
121.06509	6.3
121.10147	71.0
122.10478	2.9
123.08073	11.6
123.11686	6.7
125.09637	4.0
128.06239	4.6
129.06993	8.6
131.08591	20.9
133.10132	38.7
135.08032	6.8
135.11696	25.9
137.09586	5.1
137.13242	5.0
139.07564	2.4
141.26466	2.5
142.07784	3.3
143.08565	11.1
145.10127	31.1
147.08055	5.4
147.11679	23.0
149.09631	4.1
149.13264	8.6
155.08571	5.7
157.10107	18.4
158.10884	2.6
159.08101	3.2
159.11703	32.4
161.09618	8.0
161.13235	18.2
163.11191	8.8
163.14873	5.2
164.97125	2.6
165.09143	4.5
165.12769	2.9
167.08554	3.3
169.10130	9.9
171.11714	14.5
173.09641	11.2
173.13219	19.6
175.11110	5.4
175.14810	10.0
177.12764	8.1
177.16344	3.8
179.14340	4.9
181.08791	5.6
181.10266	2.7
183.11697	9.5
185.09641	2.6
185.13272	12.8
187.11185	4.1
187.14862	16.1
189.12808	4.9
189.16385	9.3
191.10748	4.5
191.14381	5.2
194.09558	4.1
195.11732	5.7
196.11195	4.9
197.13281	6.1
199.14778	16.3
200.15582	7.2
201.12808	5.5
201.16393	10.9
203.14294	2.9
203.17978	3.8
205.15878	4.9
209.13286	8.1
211.14833	4.5
213.16440	6.4
215.14421	4.4
215.17899	15.7
215.19707	2.5
217.15822	5.5
223.14827	4.4
225.16315	4.2
227.14325	11.0
227.18001	7.6
229.15988	5.8
229.19597	5.0
233.18883	4.2
237.16422	5.9
239.14474	3.1
239.18034	4.9
241.19630	3.0
242.08142	8.9
243.21065	2.9
245.15421	6.1
265.19611	3.5
266.15363	4.5
269.18909	3.2
279.20996	2.9
280.22009	3.2
291.19598	3.5
292.19843	10.8
293.19101	2.5
293.22589	3.0
295.24234	10.1
311.23709	5.0
313.25250	13.0
319.24219	3.6
321.25644	2.9
329.24789	4.8
331.26361	15.0
337.25220	4.0
348.89938	2.6
363.26788	33.8
381.27899	80.8
381.32819	4.1
382.28119	3.4
395.29550	7.1
399.28986	54.7
413.30734	4.1
431.31638	12.6
435.32590	15.5
453.33725	23.9
471.34897	29.8
489.16452	4.1
489.35745	100.0
490.36093	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	489.3576
Annotation	Fomitopinic acid A
Peak:m/z	Relative Intensity
53.03941	2.5
55.05499	9.7
57.07062	2.8
59.04993	7.1
61.11419	1.9
67.05517	11.8
69.03426	9.4
69.07074	12.5
69.72052	12.8
71.05006	2.6
73.26479	2.3
78.56966	1.8
79.05500	14.4
81.03423	4.9
81.07063	26.3
82.07426	2.2
83.04990	5.5
83.08620	6.0
85.06556	2.3
91.05486	20.2
93.07051	34.1
95.04986	5.8
95.08608	39.9
97.06530	5.9
97.10115	2.8
104.54503	1.8
105.07041	31.9
107.04963	2.6
107.08603	50.3
108.08882	2.0
108.75587	2.0
109.06551	6.9
109.10152	28.4
111.08086	5.0
117.07015	6.3
119.08585	41.9
121.06491	3.7
121.10149	77.0
123.08099	9.6
123.11716	14.1
125.09615	2.5
128.06242	4.9
129.06975	5.8
131.08597	21.1
133.10146	36.4
135.08096	8.1
135.11694	21.2
137.09660	5.6
137.13298	5.8
142.07758	3.6
143.08546	13.8
145.10153	33.3
147.08043	2.5
147.11705	20.9
149.09656	5.5
149.13313	12.0
155.08539	3.9
156.09302	2.5
157.10144	18.6
158.10963	3.0
159.08058	3.5
159.11700	29.7
161.09644	8.8
161.13254	17.1
163.11194	5.5
163.14842	4.6
165.07137	2.5
165.09204	4.0
165.12677	2.6
169.10173	8.3
170.10831	4.3
171.11700	15.1
173.09641	8.2
173.13271	18.7
175.11176	6.3
175.14806	12.5
177.12785	8.2
177.16364	5.0
179.14310	2.5
180.09120	2.7
181.10129	3.8
183.11705	8.6
185.13280	13.8
187.11221	4.0
187.14806	18.2
189.12814	3.1
189.16367	15.1
191.10707	3.9
191.14445	2.6
195.11736	3.3
197.13234	10.0
199.14816	13.3
200.15654	6.1
201.12769	4.9
201.16365	15.1
203.14378	4.6
203.18057	3.3
205.15897	7.5
207.17546	2.2
209.13319	5.6
211.14876	8.3
213.12947	3.3
213.16434	9.2
215.14485	4.2
215.18008	12.6
217.15929	8.2
221.13284	2.8
223.14825	5.0
223.16870	3.2
225.16429	5.3
227.14352	13.8
227.17944	8.3
229.15944	4.9
229.19525	6.3
235.17107	2.1
237.16600	2.8
239.18021	3.3
241.15883	3.7
241.19588	5.0
243.17496	3.3
245.15439	7.9
249.16368	2.9
251.17989	3.8
253.15759	2.8
253.19556	3.8
255.17517	2.1
255.21072	3.0
263.18451	3.0
267.17392	3.2
272.05643	2.4
279.21210	2.4
295.24188	9.9
311.23770	6.5
313.25339	11.6
317.20999	2.9
319.24326	5.3
321.25821	2.8
329.24893	7.0
331.26291	16.7
333.26120	3.5
337.25342	5.6
345.25830	4.4
353.28674	3.2
363.26871	27.1
381.27887	84.7
395.29663	4.7
399.28967	65.5
413.30698	3.0
417.31418	4.6
420.12250	2.3
431.31909	11.2
435.32697	14.0
453.33759	27.9
471.34796	53.5
489.35822	100.0
490.36264	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3574
Annotation	Fomitopinic acid A
Peak:m/z	Relative Intensity
53.03941	2.0
55.01865	3.0
55.05507	10.3
57.07073	3.1
59.04998	3.1
65.03943	1.9
67.05504	15.1
69.03420	4.7
69.07082	9.9
69.33456	1.8
70.09032	6.7
71.04987	2.7
79.05498	16.5
81.03406	4.0
81.07057	22.8
83.04974	5.1
83.08631	4.0
83.77131	1.5
85.02873	2.0
85.06522	4.0
89.16711	1.8
91.05473	16.8
92.04990	3.4
93.07043	25.4
95.04975	9.1
95.08608	28.6
97.06528	7.9
98.57453	1.7
99.04493	1.8
99.08126	1.9
103.05477	2.0
105.03416	2.0
105.07035	27.2
107.04955	2.3
107.08593	37.9
109.06529	5.5
109.10147	22.6
111.08080	2.4
117.07017	7.2
119.07799	1.0
119.08573	31.8
120.04489	16.9
121.06503	4.8
121.10143	37.8
123.08077	6.9
123.11679	9.5
125.09608	2.1
127.11198	1.8
128.06178	2.1
129.07014	5.8
131.08583	17.0
132.04439	8.1
133.10120	29.7
134.10376	2.0
135.08049	3.6
135.11687	22.2
137.05956	2.4
137.09673	3.3
137.13239	4.8
139.07462	3.5
141.07039	2.0
143.08559	8.4
144.09358	2.1
145.10127	20.4
147.08040	4.3
147.11699	18.7
149.09560	2.7
149.13242	6.0
151.11125	3.0
153.12775	1.8
155.08554	8.0
157.10110	14.4
159.11688	24.0
161.09656	6.2
161.13245	13.8
163.11214	9.0
163.14771	4.0
165.09146	2.6
165.12834	2.0
167.10670	2.6
168.09251	1.8
169.10124	7.6
171.11685	14.5
173.09612	5.0
173.13240	14.8
175.11240	6.1
175.14859	11.1
177.12807	5.9
177.16310	3.0
181.10107	3.0
183.11659	8.1
185.13289	14.1
186.09027	1.9
187.14861	11.3
189.12782	1.8
189.16374	7.2
193.15898	1.9
194.73997	1.7
195.11687	6.0
197.13321	10.0
198.13901	2.8
199.11320	2.1
199.14796	11.6
200.07024	1.7
200.15536	6.5
201.12755	4.6
201.16434	13.7
203.14279	3.6
203.17960	3.5
205.15907	3.4
207.11858	2.3
207.13791	1.8
208.31168	1.7
209.13243	5.9
211.14861	6.0
213.16339	5.7
214.08675	2.4
215.05714	2.7
215.14328	2.6
215.17982	9.7
216.06612	2.7
217.15897	2.9
221.13237	3.6
223.14848	4.8
225.16254	7.9
227.14384	6.3
227.17979	7.5
228.06406	2.6
229.15910	2.6
229.19464	4.4
230.08165	4.0
231.17386	2.3
233.18982	2.6
235.14842	3.1
237.16359	2.2
239.17940	6.7
241.15855	3.2
241.19591	4.3
243.05264	35.7
243.21005	2.7
244.05806	4.1
245.15398	2.2
247.16890	3.2
249.16455	1.9
251.17941	4.1
253.19521	2.6
255.21135	5.2
256.06198	3.9
257.06912	12.9
257.19101	2.0
258.07617	100.0
259.08057	6.4
266.08096	5.2
273.22177	1.8
282.07751	2.0
285.18570	2.3
293.19150	2.0
293.22650	1.9
295.20905	1.9
295.24179	5.5
297.18384	1.9
300.08734	4.7
308.12817	3.6
310.07278	2.9
310.10757	2.3
311.23718	4.1
312.12375	7.3
313.25253	5.7
319.24060	5.3
321.25580	1.8
322.10529	2.0
327.22995	1.9
331.26248	5.2
337.25317	7.9
339.23236	2.4
339.26932	2.4
340.11563	2.1
345.25766	1.8
353.28290	2.8
358.12909	4.3
363.26709	21.4
377.28156	2.4
379.26401	1.9
381.27866	51.9
382.28220	1.9
395.29471	3.7
399.28867	22.3
407.32806	3.4
413.30673	2.4
417.31567	3.8
425.34283	2.3
431.31354	1.9
435.32626	25.2
453.14386	3.2
453.33688	40.6
471.15488	2.7
471.34756	40.4
489.16544	81.7
489.35797	69.0
490.16891	14.2
490.36057	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
53.72573	0.3
55.01860	1.1
55.05504	1.9
57.03421	0.5
57.07063	0.5
59.04996	0.4
61.02921	0.3
64.24861	0.2
65.03928	0.3
67.05505	6.0
68.98355	0.2
69.03425	2.5
69.07063	1.7
70.06573	1.0
71.04974	0.9
71.53183	0.5
72.08163	0.4
73.02904	0.3
79.05500	1.9
80.00762	0.3
81.03423	1.9
81.06587	0.4
81.07053	5.1
82.07373	0.3
83.04973	1.0
83.08595	0.9
84.08141	0.3
85.02913	4.1
85.06541	2.0
86.06065	0.5
86.09676	0.4
87.00852	1.2
87.04475	0.5
91.05482	1.5
93.07042	3.2
95.04958	1.1
95.08608	11.7
97.02885	1.9
97.06528	0.6
97.10184	0.4
99.04449	1.6
99.08060	0.3
101.06031	0.4
103.05486	0.3
105.01867	1.9
105.03388	1.0
105.07056	2.0
107.04930	1.0
107.08595	2.8
109.02895	1.6
109.06511	1.1
109.10155	7.7
111.08076	1.1
113.05986	1.2
113.09647	0.8
116.10757	0.5
117.06963	0.4
119.04973	0.4
119.08575	3.7
120.08120	0.3
121.02856	0.4
121.06514	0.6
121.10130	1.8
122.07317	1.8
123.03124	0.4
123.08082	2.5
123.11697	2.4
125.05952	0.3
125.09611	0.5
127.03922	2.9
129.05418	0.3
129.07092	0.3
129.09109	0.6
131.08591	0.6
133.10138	1.2
135.08034	0.7
135.11671	1.0
137.05974	0.7
137.09618	12.8
137.13242	0.5
139.07523	0.4
140.03415	1.0
141.09103	3.2
143.08543	0.4
145.04997	1.8
145.06448	0.6
145.10114	0.8
147.04411	0.4
147.11664	1.0
149.09615	2.4
149.13261	1.0
151.03787	0.3
151.07538	2.6
153.09100	0.3
157.08586	0.8
157.09993	0.6
159.02840	0.9
159.04109	0.3
159.11693	0.6
161.06035	0.3
161.09607	1.0
161.13246	0.9
163.11206	0.6
163.14819	0.4
165.09109	100.0
166.09468	1.1
167.07103	1.8
169.08582	1.1
173.06013	0.4
173.09589	0.3
175.11163	1.1
177.09146	0.6
179.10664	0.5
181.04945	1.0
181.08511	0.3
183.02687	0.3
183.10214	0.5
185.09724	0.3
186.21521	0.3
187.09668	3.0
187.11166	0.5
189.09091	0.5
189.12715	0.7
191.07030	0.3
191.10608	0.4
201.11191	0.3
202.86838	0.3
203.10710	2.1
203.14349	0.4
205.12234	2.8
205.19545	0.5
207.06535	0.4
207.10120	0.6
221.08032	0.3
223.20538	0.3
231.04985	0.8
242.08083	0.6
256.05933	0.3
259.20395	0.3
273.22333	0.5
291.23178	0.5
293.21170	0.4
304.02942	0.3
307.22739	0.5
310.10794	0.6
319.22656	1.2
325.23550	0.4
327.23373	0.3
337.23734	2.7
339.12363	0.3
400.08353	0.8
425.30667	0.8
443.31619	1.0
471.30722	0.4
489.17853	1.0
489.31528	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3209
Annotation	Camphoratin A
Peak:m/z	Relative Intensity
55.05507	3.2
57.03438	1.0
57.07051	1.2
67.05512	8.2
69.03423	1.5
69.07068	7.5
70.06628	1.3
70.07798	2.0
70.08195	2.6
77.40026	1.0
79.05489	4.5
81.03412	1.2
81.07059	13.8
83.04975	1.8
83.08615	3.1
85.02898	1.4
85.06554	1.1
91.05476	6.6
93.07040	11.2
95.04959	2.5
95.08614	14.9
97.06562	2.1
97.10158	1.5
99.08084	1.9
105.03387	1.4
105.07046	11.3
107.08595	16.1
109.05213	1.0
109.06520	3.5
109.10164	16.9
111.04394	1.0
111.08092	3.9
117.07006	1.8
119.08586	17.3
121.06483	4.6
121.10145	18.4
123.08065	2.9
123.11699	4.2
125.09628	2.7
127.07560	83.1
129.07013	1.8
131.08577	3.6
133.10143	15.9
135.04424	1.2
135.08047	3.0
135.11696	9.6
137.09624	5.2
137.13264	2.1
143.08560	3.7
145.10115	6.2
147.08032	1.5
147.11696	9.6
149.09648	5.3
149.13297	3.6
151.11197	2.4
153.09155	1.2
153.12740	1.3
155.08554	1.5
155.10747	1.3
156.09346	1.4
157.10132	5.6
159.11691	9.2
161.09552	5.3
161.13269	7.1
163.11151	4.3
163.14822	2.6
165.09142	1.8
165.12738	2.5
167.07036	1.4
169.10104	1.2
171.11711	4.6
173.09618	4.2
173.13261	5.3
175.11154	7.0
175.14809	4.5
177.12756	10.6
177.16360	1.8
179.10699	1.2
183.11562	1.7
184.12439	1.2
185.13248	2.2
187.11084	1.8
187.14822	3.4
189.12819	5.7
189.16353	5.6
191.14375	3.9
193.15897	1.9
199.14830	2.3
200.17458	1.3
201.12810	2.3
201.16447	2.2
203.14351	3.4
203.17836	1.3
205.15918	1.5
207.10205	1.9
213.16403	2.7
217.12218	1.6
217.15843	3.7
219.17465	1.7
221.11725	5.6
231.17384	3.2
235.17036	1.6
243.17624	1.5
245.15546	1.1
267.21399	1.5
278.07968	1.3
285.22012	2.5
295.11435	1.0
303.23254	2.9
311.23874	1.5
322.10504	1.4
327.23254	2.6
345.24118	5.1
363.25009	1.1
389.28397	1.4
407.29205	5.7
409.31171	1.5
425.30624	12.6
435.28845	1.2
453.29745	3.1
471.31076	100.0
472.31442	2.4
489.16272	1.8
489.32117	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	489.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.8
55.05504	19.8
57.07078	33.0
61.33314	5.3
67.05499	25.3
69.03435	6.8
69.07072	13.8
71.05000	7.7
71.52831	6.8
71.53198	7.3
77.18426	5.1
79.05494	25.4
81.07076	44.6
83.04976	6.2
83.08636	5.5
85.06554	12.4
89.79243	5.8
91.05475	27.5
93.07041	53.8
95.04945	13.3
95.08604	46.1
97.06551	12.2
105.07030	65.9
107.04961	9.5
107.08604	68.6
109.06499	6.8
109.10165	32.6
111.08076	9.0
117.07029	21.7
119.08569	66.8
120.04526	5.8
121.06509	11.5
121.10145	35.1
123.08079	14.4
123.11712	10.5
128.06219	9.1
129.06982	12.1
131.08566	74.7
133.10127	48.9
135.11700	21.6
137.09599	15.1
139.07578	8.9
141.06958	6.8
142.07753	10.0
143.08566	37.8
145.10130	64.8
146.10889	15.7
147.11687	80.0
149.09604	15.0
149.13249	9.9
151.11168	9.9
155.08566	25.0
156.09341	6.4
157.10130	61.4
159.11679	32.8
161.13266	23.4
163.11272	9.1
165.09079	15.1
167.08502	6.2
167.10699	7.5
169.10130	22.1
170.10849	6.6
171.11658	41.3
173.09656	7.4
173.13318	33.7
175.03976	7.8
175.11200	9.3
175.14926	8.5
181.10088	17.2
183.11720	25.3
185.13271	26.1
187.14769	14.5
189.12752	40.7
193.10222	6.6
193.12256	11.5
195.11737	18.0
197.13271	18.9
199.14832	24.9
199.66617	5.8
201.16385	11.4
203.03419	10.7
203.14174	7.7
207.11766	9.9
209.13332	10.9
211.14857	16.4
213.16377	13.5
215.14410	10.4
217.12196	11.1
220.12392	7.4
221.13246	19.1
223.14819	49.8
225.16353	24.0
237.16464	9.0
239.18042	6.4
241.15810	5.8
243.05298	17.1
247.14865	7.4
249.16496	6.0
257.06888	10.1
258.07614	30.7
260.16913	6.2
261.62207	5.6
265.19684	6.7
267.17441	16.8
267.20862	7.1
271.16943	12.1
283.16949	79.0
285.18573	20.8
291.21133	8.6
309.18674	10.2
309.22107	20.2
311.20013	14.1
325.21567	84.3
326.21854	7.8
327.19458	28.4
327.23190	86.5
333.22092	19.2
341.24646	10.7
351.23080	49.0
365.24774	6.9
369.20023	9.4
369.24258	93.6
381.27823	9.1
399.28778	10.5
411.25226	16.8
429.26404	100.0
435.32669	8.1
453.33435	11.1
471.34622	21.0
489.16663	30.4
489.35696	22.0
490.16885	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	489.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55968	0.4
55.05482	0.9
57.07032	0.5
67.05497	2.9
69.07043	0.7
69.84374	2.2
79.05460	0.7
81.07079	1.8
83.08578	0.6
85.38498	0.4
85.51310	0.4
91.05440	0.6
93.06999	1.5
95.08577	1.1
98.21434	0.4
98.84608	0.3
105.07040	1.0
107.08559	1.1
109.10130	2.0
112.26094	0.4
117.07016	0.6
119.08570	0.8
121.10109	0.8
123.11677	0.6
131.08543	0.7
133.10072	0.5
135.11635	0.5
143.08546	0.5
145.10120	0.8
147.11615	0.6
173.11646	0.4
173.13194	0.4
188.24055	0.4
198.02936	0.9
268.07037	1.7
269.07901	0.8
272.98514	0.4
353.13580	100.0
354.13882	2.5
420.82501	0.5
471.34210	0.7
489.26102	92.6
489.36057	3.6
490.26328	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46112	0.4
63.53285	0.4
67.05466	1.6
69.46849	0.8
69.47274	2.1
77.19057	0.4
79.05460	0.5
81.07053	0.9
82.63070	0.4
87.60924	0.4
93.07010	1.2
95.08585	0.9
105.07000	0.8
109.10110	1.5
112.61552	0.4
112.67007	0.4
119.08497	0.4
121.10118	1.0
133.10078	0.5
149.13348	0.5
169.49258	0.5
175.36545	0.5
223.55119	0.4
268.07098	1.4
272.88046	0.4
278.57028	0.4
313.72488	0.4
353.13596	77.7
354.13989	2.1
451.24390	0.4
489.26129	100.0
490.26672	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	489.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56549	1.4
53.03947	3.0
55.01865	3.0
55.05510	9.8
57.03436	3.7
57.07074	3.8
67.05510	13.3
69.03437	11.4
69.07069	13.4
69.50026	3.3
69.50426	9.0
70.06594	3.8
71.04996	6.0
71.08620	2.2
79.05492	6.4
81.03436	9.2
81.07064	23.5
83.04980	4.8
83.08619	8.8
84.08152	1.5
85.02912	18.8
85.06551	18.4
86.09709	2.0
87.00844	6.5
90.13802	1.4
91.05488	9.4
93.07043	20.5
95.04993	3.9
95.08606	30.5
97.02890	5.4
97.06535	5.0
97.10182	6.3
98.20786	2.6
99.04462	4.4
99.08115	6.7
103.05456	1.7
105.01867	3.9
105.03403	2.2
105.07018	9.2
107.04961	2.2
107.08599	28.9
109.02847	9.0
109.06526	3.0
109.10166	24.4
110.65755	1.3
111.08105	5.0
111.11794	1.4
117.07043	2.6
119.08575	10.4
121.02906	2.1
121.10150	33.2
122.89885	1.7
123.08055	3.3
123.11736	21.7
125.09642	3.0
127.03928	9.4
127.07540	1.4
129.06989	2.2
131.08577	5.3
133.06505	1.8
133.10153	10.7
135.08090	3.4
135.11664	16.5
137.05997	2.5
137.09621	4.7
137.13300	7.3
139.11232	1.7
143.08589	2.5
143.65291	1.7
145.05026	2.9
145.10126	7.3
147.11685	3.3
149.09666	2.8
149.13258	18.1
151.07506	1.7
151.14806	1.7
153.12683	1.6
156.04333	1.3
157.10211	3.2
159.02884	2.5
159.08057	2.1
159.11696	6.9
161.05963	2.0
161.09627	3.7
161.13281	4.8
163.14873	5.3
165.09132	5.7
165.16353	1.9
167.07072	5.8
167.14334	10.6
169.10097	1.7
171.11696	4.8
173.13225	3.5
175.14864	3.5
177.16400	1.6
178.05287	1.4
179.14404	1.7
179.17972	2.4
181.04996	4.8
181.15988	1.9
183.11638	1.4
185.13281	2.6
187.14804	4.9
189.12816	1.8
189.16357	1.8
189.41092	1.9
197.13232	1.6
201.16559	1.7
203.14395	2.1
203.17955	1.8
205.19551	20.9
213.12767	1.6
215.17914	2.2
217.15854	2.0
223.20567	25.3
231.05151	1.9
241.21631	100.0
242.21985	2.8
322.10687	2.4
324.12317	4.7
353.05231	1.5
353.09708	1.5
363.26685	4.2
381.27884	6.7
399.28851	8.8
435.32672	2.9
453.33795	2.9
471.15359	3.3
471.35406	9.6
489.16702	4.6
489.27744	3.5
489.35645	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	488.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
54.74250	0.4
55.01871	1.1
55.05508	1.3
56.24239	0.3
57.03437	0.7
61.02921	0.6
67.05502	1.7
69.03423	2.9
69.07067	1.2
70.06593	1.7
70.82961	0.8
71.04969	1.1
72.08153	0.7
77.03926	0.5
79.05489	1.7
79.86457	0.3
81.03417	3.3
81.07054	2.4
82.07449	0.3
83.04979	2.3
83.08624	0.4
84.08136	0.9
85.02914	3.6
85.03394	0.5
85.06535	0.4
86.09712	1.2
87.00830	1.5
91.05478	3.9
93.07057	3.3
95.04977	2.9
95.08607	2.5
97.02894	2.4
97.06513	0.9
99.04449	0.8
103.05472	0.6
105.01863	1.3
105.03391	1.1
105.04488	0.5
105.07032	2.5
107.04964	6.4
107.08623	1.9
108.05738	1.0
109.02875	2.8
109.06525	4.6
109.10147	1.1
111.04446	0.7
115.72714	0.4
117.07013	0.8
119.08579	2.8
121.02910	2.9
121.06506	100.0
121.10107	2.7
122.06860	1.9
123.04427	5.1
123.08038	0.8
123.11736	0.8
125.02328	0.5
125.06007	4.5
127.03916	3.9
131.08559	0.6
132.04419	0.4
133.02890	0.5
133.10126	0.7
135.04390	0.6
135.08040	1.3
135.11684	1.3
137.05983	0.6
145.04909	0.9
145.06456	0.5
145.10124	2.0
147.04356	0.8
147.08110	0.3
147.11659	0.5
149.05986	8.6
149.09636	0.6
159.11685	1.3
163.11185	48.2
164.11562	1.3
165.09126	0.4
166.08560	0.4
167.07039	10.4
172.08867	0.6
175.03864	0.7
177.05438	0.5
177.12802	0.5
178.05013	3.0
179.05365	0.6
183.06589	0.8
187.11165	2.1
188.07602	0.4
190.09914	1.5
191.07034	0.6
205.12244	84.4
206.04485	6.8
206.12558	1.7
207.04839	0.6
207.06548	0.6
207.13884	0.5
213.03923	0.8
221.11755	1.9
223.13286	2.6
231.04974	0.9
248.11320	0.4
256.11728	0.4
326.10434	0.5
331.15182	0.6
337.09317	0.5
397.11154	1.6
435.16382	1.3
453.17426	3.0
453.40588	0.4
471.18661	10.5
472.19006	0.8
488.12933	0.6
488.20761	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	488.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.05509	1.5
67.05502	2.5
69.07076	5.1
69.45789	8.2
73.25274	0.9
79.05503	3.5
85.06534	1.6
91.05487	1.9
95.04973	6.7
105.03395	100.0
105.07027	1.2
106.03735	1.3
109.10139	1.2
119.04980	1.0
121.10175	1.6
123.04440	4.2
131.04912	1.7
143.04941	1.4
147.04396	3.9
159.04414	3.5
159.08015	1.2
163.03938	3.1
171.04388	1.5
173.06004	1.4
175.03909	37.8
187.03902	23.2
187.07591	1.4
189.05461	2.3
189.09084	17.8
199.03848	6.4
199.07553	1.3
201.05502	1.4
201.09096	1.2
203.03429	2.8
203.07014	3.1
207.10153	6.4
213.05492	2.3
214.04915	0.9
215.07037	1.7
217.08655	1.8
219.06680	1.4
223.07664	1.3
226.06281	10.1
227.07057	1.6
228.07811	3.1
228.74593	1.0
229.08597	14.0
241.08589	24.6
243.10167	9.5
245.08192	1.2
247.09662	3.9
253.08672	2.1
255.10246	4.9
282.11423	1.0
295.13312	12.5
313.14337	29.0
331.15387	2.6
435.18024	7.8
444.74420	1.2
488.15161	1.0
490.69150	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3417
Annotation	Rhabdastrellin C
Peak:m/z	Relative Intensity
55.05519	29.2
57.07061	7.8
59.05005	13.0
67.05510	52.1
69.03430	18.9
69.07088	11.9
69.95255	28.7
71.04999	9.4
77.86156	5.8
79.05492	45.8
81.03417	9.4
81.07053	52.0
83.04979	18.6
83.08627	10.6
85.06532	12.0
85.82227	5.3
91.05479	54.8
93.07042	66.3
95.04972	17.7
95.08611	71.6
97.06551	7.3
97.10137	6.3
99.08152	9.8
101.95550	4.9
105.07034	68.6
107.08614	69.0
109.06509	20.3
109.10151	51.2
111.08110	14.3
117.07038	13.2
119.08588	59.1
121.06503	11.4
121.10139	40.5
123.08105	31.9
123.11695	16.2
125.09638	8.3
129.07016	20.1
131.08534	31.9
133.06505	9.0
133.10139	59.7
135.08051	20.4
135.11720	22.0
137.06001	9.9
137.09621	17.4
142.07875	6.1
143.08536	32.4
145.10132	51.1
147.08055	7.9
147.11694	42.6
149.09665	10.6
149.13289	13.2
151.11206	12.4
155.08595	7.0
157.10144	28.0
159.11684	47.0
161.09599	17.0
161.13252	25.5
163.11156	12.3
165.09094	11.4
165.12718	10.5
169.10196	13.5
171.11716	28.2
173.09616	14.8
173.13257	32.2
175.11218	13.7
175.14806	8.0
177.12801	6.1
179.14316	9.8
183.11685	23.1
185.13242	21.8
187.11244	6.9
187.14854	15.4
189.12782	16.2
191.10716	8.1
191.14294	10.8
197.13240	11.5
199.14906	26.8
201.12784	10.7
201.16396	13.8
203.14314	8.6
205.12389	5.8
205.15921	9.1
207.11859	7.0
207.13855	10.9
211.14885	11.9
213.12912	8.6
213.16397	23.4
215.14226	7.9
217.15948	18.2
223.14964	6.4
227.14211	9.1
231.17456	22.5
235.14745	6.4
245.19022	9.9
245.21484	6.2
252.06578	11.5
253.06895	13.1
264.80862	6.1
271.86429	6.0
280.06088	27.5
281.06363	38.4
293.22620	6.4
294.11050	8.8
295.20688	5.5
311.23706	24.9
317.10019	12.0
327.23355	7.7
329.24786	28.8
345.09741	7.2
346.10223	9.0
347.11252	18.6
349.25461	9.2
353.24738	8.0
361.25250	18.2
369.27621	11.2
379.26303	80.6
397.27338	100.0
411.28864	11.4
429.30121	11.9
433.31018	15.1
451.32275	42.2
459.16241	21.8
469.33194	84.0
487.34546	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3418
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05503	16.1
56.14492	5.5
57.07067	6.7
67.05495	34.6
69.03424	9.6
69.07066	29.6
69.96609	8.0
69.96954	24.2
71.04980	15.8
73.13647	4.5
75.04470	21.7
79.05495	45.8
81.03408	9.2
81.07063	66.4
82.14507	4.7
83.04989	15.0
83.08609	16.8
91.05479	45.2
93.07043	52.4
95.04973	27.2
95.08608	84.7
97.06522	18.5
97.10206	6.3
99.04443	12.3
105.07035	70.5
107.08593	92.2
109.06518	16.7
109.10167	65.6
117.07011	18.8
119.08581	87.6
121.06470	8.2
121.10141	75.4
122.97093	5.0
123.08096	10.3
123.11709	65.1
125.05863	6.5
128.06274	6.2
129.07007	17.7
131.08560	56.6
133.06436	6.2
133.10127	76.6
135.08055	11.2
135.11682	44.3
137.09561	5.9
137.13254	5.7
141.06993	8.2
142.07800	7.4
143.08549	22.9
144.09274	5.0
145.10123	73.9
147.08006	6.9
147.11710	80.0
149.09616	6.6
149.13252	21.3
151.11275	6.3
155.08521	18.9
157.10126	42.0
159.11679	47.1
161.09625	14.0
161.13245	29.7
163.11206	7.3
163.14836	12.0
167.08636	7.3
168.09320	5.8
169.10124	17.0
171.11662	22.4
173.13283	36.7
175.11226	21.5
175.14777	28.2
177.12749	7.3
181.10197	15.0
182.10756	5.5
183.11714	14.4
185.13239	33.4
187.14844	38.7
189.12715	9.1
189.16406	22.0
195.11652	15.2
197.13280	13.5
199.11137	5.9
199.14854	48.2
201.16376	50.1
203.14282	13.6
207.11772	7.2
207.13733	6.3
209.13283	10.8
211.14822	15.9
213.16396	11.8
215.14253	11.4
215.17924	19.6
217.15883	12.2
225.16289	13.2
227.17992	13.3
229.19484	11.1
235.14906	7.8
237.16350	8.9
239.18098	9.0
241.15918	7.1
241.19615	11.9
245.15298	6.8
259.16846	6.0
295.24121	26.5
313.25275	7.8
319.23990	12.0
321.25772	16.3
335.26996	7.4
337.25253	23.6
353.28427	18.6
363.26797	41.5
377.28473	18.9
381.27866	41.6
393.28201	7.9
395.29312	12.7
403.38980	6.1
415.29977	13.6
433.31134	29.9
451.31958	65.0
459.09406	8.3
469.33182	60.3
475.11005	5.7
487.34171	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3419
Annotation	Rhabdastrellin C
Peak:m/z	Relative Intensity
53.98213	2.5
55.01866	3.6
55.05500	10.7
57.03442	2.3
57.07059	2.4
59.04990	2.6
67.05510	17.4
69.03435	11.8
69.07067	16.1
71.04984	3.3
71.52995	2.6
71.53383	2.8
79.05498	17.9
81.03413	4.1
81.07063	31.6
83.04964	9.0
83.08595	5.0
85.06551	4.4
86.09686	5.6
91.05466	21.4
93.07060	29.9
95.04955	8.7
95.08607	35.4
97.06525	5.9
97.10177	3.0
97.97957	2.2
99.08080	4.2
105.07031	32.1
107.04910	3.2
107.08590	37.7
109.06511	11.3
109.10160	24.1
111.08088	8.6
117.06992	9.7
119.08578	47.9
121.06498	8.5
121.10141	31.7
123.08079	26.4
123.11682	8.0
125.09630	4.5
128.06221	3.8
129.07005	7.3
131.08585	17.8
133.06456	2.6
133.10120	41.3
134.10568	2.1
135.08057	81.9
135.11673	16.7
137.09595	10.6
137.13171	3.5
139.11153	3.6
141.06955	2.9
142.07755	3.9
143.08568	19.1
145.10120	28.0
147.08046	7.2
147.11696	25.7
149.09610	6.8
149.13255	9.1
150.24481	2.5
151.11186	7.4
155.08496	5.0
157.10156	18.7
159.08009	4.0
159.11714	29.9
161.00981	2.9
161.09639	14.8
161.13269	9.7
163.11183	9.8
165.09135	2.6
165.93817	2.4
169.10153	8.4
171.11708	19.8
172.12584	2.3
173.09590	9.7
173.13232	18.4
175.11168	9.2
175.14827	10.1
177.12759	15.2
179.10635	3.3
179.14328	4.6
181.10106	5.1
183.11711	8.4
184.07449	11.4
185.09573	3.1
185.13213	14.6
187.11218	2.8
187.14801	9.9
189.12743	7.8
189.16341	5.6
191.14322	8.3
193.12357	3.0
193.15948	3.2
195.11723	4.4
195.13884	3.1
197.13225	10.0
198.09129	9.5
199.11159	3.3
199.14824	10.9
201.16248	5.1
203.14355	16.5
203.18063	4.0
205.15997	2.4
207.11539	2.3
209.13258	7.3
211.14825	5.7
213.16322	15.0
215.14288	9.3
215.17908	2.2
216.10248	6.2
217.15881	5.9
221.13297	4.2
221.15352	24.0
223.14819	7.0
225.16435	5.5
227.14278	9.4
227.17754	3.1
229.15964	3.5
231.05312	9.5
231.17424	23.3
235.14758	3.6
237.16547	2.8
238.08339	2.6
239.17989	7.8
241.15965	3.6
243.17252	5.7
244.06137	4.6
245.18958	5.3
255.17398	4.8
257.19040	6.7
259.20566	3.2
269.19070	3.1
271.20456	2.5
272.05511	6.2
272.16562	3.5
273.06375	13.6
274.07123	45.5
275.07446	3.8
285.18753	3.2
285.21738	2.6
286.89124	2.7
309.22174	3.9
311.23700	8.1
313.21378	3.4
319.19754	2.4
321.22113	3.0
327.23184	5.0
329.24792	15.5
335.23669	4.5
337.25122	6.9
351.26733	5.3
361.25217	7.7
379.26318	45.7
397.27362	100.0
398.27756	2.7
411.28967	7.9
415.29593	2.7
429.30066	18.0
433.30856	11.8
451.32169	36.6
469.14349	3.3
469.33160	59.5
487.14700	13.4
487.34366	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	10.0
55.66582	3.1
59.05008	3.9
60.44571	3.5
65.64647	3.4
67.05506	21.1
68.30968	3.9
69.03413	6.8
69.07057	15.5
69.28452	34.8
71.04994	7.6
75.04459	9.3
79.05492	17.7
81.07054	31.3
83.04958	11.8
83.08634	5.8
85.06555	5.3
87.04489	7.4
91.05493	20.7
93.07045	41.9
95.04954	12.2
95.08609	49.1
97.06522	14.2
99.04401	3.2
105.06396	4.2
105.07039	41.5
107.08587	50.8
109.06511	12.1
109.09579	4.0
109.10169	42.2
109.43446	3.3
111.08107	4.2
117.05543	3.8
117.07008	9.0
119.08590	49.2
121.06550	4.9
121.10128	45.5
122.89568	3.4
123.08105	6.6
123.11713	24.1
126.19914	3.7
128.06230	3.5
129.06985	7.5
131.08582	19.1
133.06444	3.6
133.10135	38.2
135.08035	10.6
135.11702	19.1
137.09666	3.7
137.13223	4.2
139.07603	3.8
142.07768	4.8
143.08578	16.4
145.10129	40.9
147.08020	4.5
147.11678	33.9
149.13295	17.1
155.08516	4.6
157.10092	16.7
159.11681	30.6
161.09589	6.8
161.13304	21.1
163.11198	6.7
163.14825	4.9
167.07037	7.3
169.10059	8.1
171.11658	16.4
173.13260	23.6
175.14851	20.8
177.12781	3.6
177.16364	6.6
183.11684	11.5
185.13335	16.8
187.14847	23.7
189.12773	4.1
189.16379	13.8
195.11731	5.1
197.13284	10.5
199.14816	29.3
200.15581	4.9
201.16336	29.0
203.14314	5.7
203.17935	4.8
205.15868	6.4
209.11429	3.6
209.13208	5.4
211.14795	8.2
213.16351	9.2
215.14491	4.4
215.17906	11.6
217.15942	6.6
225.16331	6.0
227.17886	8.3
229.19525	6.4
230.63307	3.6
233.15494	4.4
239.17880	4.2
241.19458	5.8
253.19586	5.7
255.21091	6.6
295.24295	20.1
311.23700	5.8
313.24905	4.9
319.24216	7.3
321.25766	6.7
335.68924	3.9
337.25302	4.1
353.28589	8.7
363.26743	8.1
377.28021	5.7
381.27667	9.8
395.29321	9.6
423.32498	4.9
433.31094	20.0
445.87473	4.2
451.32083	40.7
469.33212	47.1
487.35474	100.0
488.35556	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	487.3418
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
54.58927	4.8
55.01854	5.8
55.05503	14.6
57.03413	6.3
57.07059	6.4
59.04988	10.4
61.10698	4.6
67.05504	38.4
69.03432	7.3
69.07050	24.8
69.55527	39.0
71.04982	16.5
75.04465	16.1
79.05500	37.6
81.03398	8.6
81.07058	57.1
83.04965	23.5
83.08620	13.3
85.02933	6.7
85.06499	5.3
89.63712	5.2
91.05466	38.4
93.07046	72.2
93.21716	5.8
95.04980	29.7
95.08604	83.6
97.06509	18.9
97.10165	5.2
98.20771	11.4
99.04411	6.9
105.07036	90.8
107.08582	100.0
109.06502	17.5
109.10152	76.9
117.07007	19.1
119.08582	78.0
121.06476	9.7
121.10143	82.5
123.08054	9.8
123.11687	45.9
125.05985	7.0
129.06979	11.7
131.08578	39.3
133.06450	5.2
133.10132	92.5
135.08046	14.5
135.11700	45.6
137.13222	7.7
139.07562	10.7
143.07022	5.5
143.08514	29.4
145.10130	69.0
147.08080	7.2
147.11699	65.0
149.09634	10.4
149.13229	20.1
151.11130	7.3
155.08522	17.2
156.09383	6.8
157.10121	33.7
159.11693	72.4
161.09602	20.4
161.13280	32.6
163.11166	19.4
163.68898	6.3
167.08633	9.8
169.10034	10.2
171.11696	38.5
173.13258	36.1
175.11194	18.5
175.14809	25.9
177.16383	9.8
181.10075	7.8
183.11638	16.6
184.12506	9.4
185.09579	6.3
185.13258	36.3
187.14897	36.2
189.12677	10.6
189.16339	21.8
195.11697	5.8
197.13251	15.2
199.14812	48.6
200.15477	6.5
201.12733	12.1
201.16357	50.3
203.14310	20.9
203.17978	7.3
205.15831	18.2
209.13292	10.2
211.14807	15.6
213.16338	14.1
215.14384	13.1
215.17992	24.9
217.15875	15.6
223.14813	7.9
225.16351	18.5
227.14322	11.6
227.17877	6.7
229.15886	7.2
229.19524	11.8
237.16338	10.7
239.17931	6.5
241.15787	9.9
241.19534	10.1
253.19696	8.6
255.21136	10.3
259.17099	6.3
269.29004	5.7
293.22537	6.0
295.24130	35.6
297.18396	8.1
313.25235	10.2
315.19559	9.3
319.24207	11.4
321.25726	11.3
333.20486	7.2
333.25870	7.0
335.27133	10.1
337.25363	9.6
339.26953	10.4
345.25671	8.0
353.28339	16.0
363.26804	35.0
377.28311	17.8
381.27902	40.0
393.27707	10.1
395.29407	24.6
415.29977	8.9
433.31027	24.5
441.33783	7.2
451.32053	63.0
469.33109	78.4
487.34082	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3417
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03933	6.8
55.05503	17.0
57.07059	5.5
59.04995	6.9
65.34653	4.5
66.31893	4.5
66.91036	4.6
67.05503	26.5
69.03423	11.4
69.07084	25.4
69.07372	4.0
69.71371	26.8
71.04994	11.6
73.94795	4.0
75.04485	9.1
79.05504	36.7
81.03384	5.5
81.07050	49.8
83.04958	22.0
83.08578	11.5
86.38148	4.4
87.04435	5.3
91.05487	43.0
93.07053	52.7
95.04955	26.6
95.08608	84.1
97.06530	13.6
99.04444	7.6
105.07030	73.3
107.08590	100.0
109.06509	11.6
109.10164	64.2
111.08069	6.0
115.05460	6.0
117.05519	6.1
117.07005	16.1
119.08582	84.0
121.06474	6.6
121.10153	77.5
123.08086	14.7
123.11676	23.6
125.05959	10.4
129.06967	6.7
131.08594	32.2
133.10127	85.6
135.08037	14.2
135.11710	41.4
137.13263	7.8
139.07516	11.7
141.07016	7.1
142.07695	10.8
143.06972	7.0
143.08539	21.5
144.09268	6.6
145.10110	56.9
147.08005	10.0
147.11703	51.5
149.09608	11.4
149.13213	15.3
155.08562	8.2
157.10123	30.0
159.11711	48.6
161.09616	14.2
161.13220	24.8
163.11153	11.4
163.14824	8.3
169.10098	16.1
171.11711	30.6
173.09581	6.6
173.13287	29.3
175.11191	6.9
175.14819	19.2
176.64545	5.6
177.12727	4.6
177.16322	7.9
177.78056	5.3
181.10114	8.4
183.11655	15.2
185.13300	22.2
187.14783	26.4
189.12683	10.2
189.16391	18.7
195.11836	7.9
197.13245	14.0
199.11241	5.9
199.14793	47.9
200.15619	7.8
201.16367	46.8
203.14302	21.0
203.17894	6.5
204.15036	6.9
205.15877	17.9
211.14832	10.5
213.16406	12.5
215.14314	6.0
215.17902	19.3
217.15923	13.6
225.16260	7.5
227.14368	5.8
227.17938	15.2
229.15753	5.6
229.19444	10.0
235.14937	5.9
239.17882	5.5
241.19450	7.9
247.16721	5.4
253.19452	10.6
293.22595	5.1
295.24265	37.1
311.23618	8.3
313.25211	14.3
315.19437	7.5
319.24026	5.8
321.25702	8.3
333.20175	5.1
339.26871	8.4
353.28482	5.2
363.26697	25.9
377.28217	6.0
381.27850	30.2
395.29379	20.8
433.30911	19.9
451.32010	50.4
469.33157	67.3
487.34311	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3418
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
52.48825	2.4
55.05504	6.4
56.86152	2.6
57.07064	3.6
60.30335	2.9
65.17554	2.9
67.05492	18.1
69.03419	4.3
69.07063	13.4
70.27048	10.8
71.04985	5.3
75.04482	3.8
79.05490	14.3
81.07057	28.2
83.04984	8.5
83.08654	2.8
90.21967	2.9
91.05476	14.8
92.70541	2.6
93.07042	25.0
95.04963	15.2
95.08622	29.8
97.06524	7.3
98.21436	3.3
105.07040	35.4
107.08601	31.0
109.06523	6.2
109.10153	28.6
110.16246	2.8
113.40626	2.7
117.07026	8.4
119.08565	35.5
121.06534	4.6
121.10139	30.4
123.08080	8.1
123.11687	19.3
129.06978	6.3
131.08574	13.6
133.10144	23.4
133.53787	2.8
135.08058	5.9
135.11717	14.4
137.13271	5.4
139.07547	4.0
143.08580	10.6
145.10124	23.1
147.07982	3.2
147.11681	20.1
149.13263	10.7
155.08563	4.0
157.10172	8.9
159.11688	20.5
161.09618	6.9
161.13281	15.6
163.11177	5.4
163.14867	5.8
169.10155	8.1
171.11732	8.9
173.13226	13.7
175.03918	4.9
175.14888	6.8
177.12872	4.0
183.11757	8.0
185.13297	9.0
187.14868	12.9
189.12746	4.5
189.16461	6.6
197.13286	4.3
199.14824	16.3
201.16350	18.3
203.14362	3.8
205.15938	3.2
213.16411	7.0
215.14282	3.6
215.18015	6.5
217.15886	4.3
227.17990	3.5
237.16411	3.4
241.19659	2.9
247.09778	3.8
248.09908	4.3
253.19633	3.3
257.15396	3.7
295.24359	11.5
296.13840	6.1
313.25305	8.0
353.28546	2.9
363.26801	5.9
381.28052	10.9
384.22455	4.3
395.29636	6.7
403.77512	2.8
433.31171	5.2
451.31970	23.2
469.32947	22.5
487.35632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.8
55.01874	8.7
55.05499	4.6
57.03437	8.7
57.07075	2.7
61.02917	4.4
65.03945	0.9
67.05504	13.6
68.99789	3.2
69.03426	27.5
69.07059	10.1
69.25229	1.1
69.93430	2.4
69.93847	3.6
70.06594	2.7
71.05000	11.3
73.02905	5.0
79.05492	7.2
81.03417	25.0
81.07056	24.8
81.91456	1.1
83.04997	2.6
83.08627	6.4
85.02903	69.3
85.06541	19.4
86.09697	1.6
87.00828	26.2
87.04455	1.8
91.05473	8.3
93.07044	13.7
95.04955	8.6
95.08608	42.7
96.08891	1.1
96.45622	1.2
97.02888	21.1
97.06516	4.7
97.10146	3.1
99.04442	10.5
99.08083	3.6
105.01864	20.8
105.07032	17.9
107.08597	29.7
109.02895	22.1
109.06567	1.2
109.10154	33.4
111.08088	6.1
117.01836	3.4
117.07034	1.8
119.08578	23.5
121.10146	35.9
123.08043	1.5
123.11718	12.7
125.09624	4.6
125.13271	1.4
127.03922	42.5
127.11196	2.8
129.01848	3.9
131.08536	2.8
133.10130	18.3
135.08090	1.7
135.11707	12.8
137.05978	1.4
137.09554	1.2
137.13257	20.1
139.11134	1.9
143.08533	2.1
143.52376	1.0
145.04961	15.4
145.06107	1.7
145.06534	1.5
145.10161	4.1
147.02907	2.4
147.11684	23.8
149.13263	1.6
151.11140	1.6
159.02893	11.9
159.11681	4.0
160.12546	1.2
161.09679	1.2
161.13254	17.2
163.14816	15.7
165.09050	1.3
165.12744	7.8
165.13928	1.3
167.14372	2.0
169.15839	1.7
173.13246	2.6
175.14821	12.9
177.16385	8.9
179.14317	1.4
181.15878	4.0
183.13852	2.9
201.16199	2.3
203.17970	39.9
213.03897	2.3
213.12909	1.3
221.19005	100.0
222.19420	1.3
230.11050	1.5
231.04951	7.9
239.17842	1.9
239.20079	27.2
262.18744	1.7
297.17728	1.2
433.22205	1.5
443.22394	3.1
451.31512	1.6
469.14102	1.5
487.14902	1.6
487.21280	13.7
487.33536	2.4
488.21759	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	487.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39309	5.2
53.03939	16.4
55.01861	16.1
55.05516	43.5
57.03437	6.9
57.07068	19.9
59.04996	6.9
59.38800	5.1
61.02922	12.5
62.44968	5.3
65.03909	5.3
67.05512	34.2
69.03419	38.4
69.07063	55.2
70.54086	15.9
71.04989	23.5
73.02908	7.8
73.43389	5.2
79.05487	38.4
81.03003	6.5
81.03408	37.3
81.07058	71.5
83.01331	6.3
83.04968	17.5
83.08623	30.0
85.02898	54.6
85.06534	8.4
86.09731	4.9
87.00826	18.2
91.05501	44.7
91.41614	5.6
91.94250	5.1
93.07038	73.9
93.58749	5.6
95.01331	6.8
95.04930	26.0
95.08612	74.2
97.02895	24.6
97.06533	17.6
97.10159	7.2
99.04459	7.7
99.08115	13.3
105.01871	17.9
105.03399	37.1
105.07036	52.9
106.06561	12.7
107.05017	5.1
107.08599	95.1
109.02908	28.7
109.06544	17.3
109.10154	57.3
111.08096	15.0
115.03927	16.6
116.04980	6.0
117.07058	14.2
119.08595	51.3
120.52915	5.6
120.96047	4.9
121.06516	13.1
121.10147	63.0
123.08130	29.4
123.11706	45.4
125.09628	18.6
127.03933	30.1
131.08545	25.5
132.15942	5.1
133.10129	32.5
134.06017	100.0
135.08025	15.4
135.11694	70.3
137.09616	15.0
137.13251	21.0
141.06996	7.5
142.07886	6.4
143.08556	19.8
144.09409	6.1
145.04961	13.3
145.06505	8.5
145.10135	25.5
147.08064	8.3
147.11705	24.7
149.09630	9.2
149.13286	40.1
151.11127	9.5
153.12744	23.6
154.07675	6.2
156.09399	5.6
157.10104	20.1
159.02901	11.1
159.11710	23.9
161.09596	13.2
161.13254	15.9
161.46700	6.5
162.09181	30.7
163.07590	6.1
163.11127	8.1
163.14816	8.9
165.06937	8.6
165.09151	7.4
167.08511	13.2
169.10106	18.2
171.08037	9.6
171.11720	17.8
173.09679	9.3
173.13246	16.9
175.11075	8.2
175.14882	10.1
177.12717	6.4
179.08571	8.1
181.10086	10.6
183.08112	6.0
183.11691	21.0
185.09651	6.5
185.13281	8.2
187.14789	12.5
187.34196	5.8
189.12660	8.3
193.10103	10.7
195.11665	10.7
197.09621	6.2
197.13237	8.5
199.11092	8.3
199.14896	12.7
201.12791	12.1
203.17981	24.5
205.10205	6.2
205.19554	17.6
207.11765	10.7
207.13524	6.8
209.09573	6.6
209.13292	11.4
211.11174	12.7
211.14850	5.8
213.16405	7.1
219.11798	11.8
221.13400	12.6
221.19005	68.8
223.14804	6.9
225.12708	9.6
225.16478	7.0
231.17548	7.6
233.16512	11.5
233.18970	6.5
235.11076	7.4
237.01892	6.2
239.14020	6.3
239.19983	7.9
254.08180	20.1
271.16989	6.7
307.13394	7.2
311.11026	9.7
321.14532	6.0
336.20721	18.0
345.24182	13.2
354.21640	34.6
377.17511	5.8
379.26068	6.3
397.27405	14.1
427.17160	7.0
451.32278	10.9
462.45737	7.2
469.18579	18.2
469.33310	16.3
487.14133	54.5
487.20828	9.3
487.33826	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	487.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70713	2.5
54.22160	2.1
55.01884	2.6
55.05503	2.8
59.05016	2.9
62.78401	2.1
65.36256	2.0
67.05495	10.9
69.03423	5.6
69.07057	5.0
71.01331	2.8
71.04992	3.4
71.53078	4.3
78.79189	2.4
79.05478	7.4
81.03407	4.0
81.07057	7.6
83.01298	2.9
83.04941	3.8
83.08617	2.5
85.02907	2.5
91.05481	9.5
93.07041	9.9
95.01331	7.4
95.04942	8.2
95.08597	8.4
96.49718	2.5
97.02898	3.0
101.02293	2.3
105.07043	15.4
107.04975	3.2
107.08604	9.4
109.06509	4.5
109.10170	7.1
111.00796	3.9
115.05449	3.5
116.89193	2.2
117.07012	6.9
119.08580	12.7
121.02879	3.5
121.06484	3.8
121.10134	6.6
123.04418	3.7
123.11691	2.4
125.02355	3.0
125.95955	2.4
128.06233	6.4
129.07014	7.3
131.08577	14.1
133.06548	4.0
133.10147	9.0
135.04469	2.7
135.08049	3.6
135.11681	3.9
141.07013	5.8
142.07738	5.7
143.08568	14.1
145.06459	3.6
145.10136	11.9
147.08064	6.4
147.11685	5.4
149.09561	2.6
155.08530	8.4
156.09338	6.2
157.10146	16.0
159.08058	5.7
159.11714	12.5
160.60699	2.4
161.05942	5.2
161.09593	4.8
161.13280	2.7
163.07471	2.3
165.07005	4.6
167.07214	3.0
167.08598	7.1
168.09311	3.2
169.10129	18.0
170.10800	3.2
171.08110	4.5
171.11691	7.7
173.09650	6.1
173.13249	5.4
175.07567	2.3
175.11151	2.8
179.08546	7.2
180.09172	3.7
181.08670	2.9
181.10132	11.7
182.10931	4.2
183.08020	3.7
183.11691	22.3
185.09630	7.0
185.13280	8.9
187.07593	6.3
187.11185	7.0
192.09312	5.3
193.10133	10.6
194.10956	4.2
195.08081	5.1
195.11693	13.3
196.12451	4.1
197.09654	5.7
197.13283	9.1
199.06061	3.0
199.11177	3.9
199.14833	3.3
201.09059	4.0
201.12717	5.9
201.16498	3.1
203.08629	5.1
203.10516	3.0
205.10118	6.0
206.10780	5.5
207.11700	10.3
208.12544	3.5
209.09602	7.6
209.13377	5.1
211.11165	5.4
211.14764	4.1
213.07494	4.8
213.09348	2.8
216.09428	2.4
217.10139	7.6
217.15907	2.3
218.10867	5.5
219.11690	7.6
221.09613	5.6
221.13271	5.8
223.11200	7.0
223.14703	4.0
225.09116	3.8
225.12802	7.5
227.10834	2.7
227.14285	3.4
230.10814	5.5
231.08060	3.2
231.11700	7.3
232.12419	5.3
233.09634	4.9
233.13246	8.1
234.10478	3.1
235.11182	6.0
235.14801	2.8
237.09113	3.4
237.12738	7.4
238.13474	2.5
239.10687	4.0
239.14307	3.0
241.07289	6.6
242.07870	11.9
243.08427	5.0
243.11734	4.2
243.13948	3.1
245.09448	3.1
245.13348	4.0
246.10315	3.2
247.11197	6.3
247.14925	4.1
249.12755	11.2
249.16463	3.1
251.10703	8.3
251.14163	3.4
252.06622	5.1
253.06854	3.2
253.12267	3.1
255.13925	2.8
258.06799	2.3
258.13895	2.5
259.11078	4.3
261.12964	3.4
263.10608	3.5
263.14328	4.4
265.12415	3.1
266.08020	3.7
267.13895	4.2
269.15524	3.4
271.17148	4.2
275.10733	6.6
275.14316	6.1
277.12238	6.7
279.10272	3.9
279.13818	5.3
281.15497	4.0
289.08871	3.0
289.12363	3.8
289.15570	3.4
291.13794	2.9
293.11795	5.6
293.14996	4.7
297.10910	3.5
303.13937	5.2
303.17218	4.0
305.11514	3.2
307.13187	2.7
309.14691	2.9
311.16537	4.2
317.15347	4.5
319.13550	4.4
321.14890	6.4
329.11700	2.6
331.13483	4.0
335.16306	7.3
345.14859	6.6
349.14255	6.0
349.17929	3.1
359.16580	4.0
363.16016	6.9
365.17465	3.4
367.11554	3.2
367.15677	5.2
373.14246	4.7
377.17361	4.7
379.26297	4.3
381.16919	5.9
385.16415	7.8
387.16010	4.3
391.15482	7.3
393.13208	5.6
395.18484	3.1
397.27463	3.0
405.16956	4.7
409.16449	14.1
413.08365	5.6
423.18262	11.4
427.17786	20.6
429.11508	11.4
443.20511	3.2
451.17395	6.5
451.31754	3.2
469.19348	26.2
469.32800	4.1
487.14951	100.0
487.34885	4.2
488.16422	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	487.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70713	2.5
54.22160	2.1
55.01884	2.6
55.05503	2.8
59.05016	2.9
62.78401	2.1
65.36256	2.0
67.05495	10.9
69.03423	5.6
69.07057	5.0
71.01331	2.8
71.04992	3.4
71.53078	4.3
78.79189	2.4
79.05478	7.4
81.03407	4.0
81.07057	7.6
83.01298	2.9
83.04941	3.8
83.08617	2.5
85.02907	2.5
91.05481	9.5
93.07041	9.9
95.01331	7.4
95.04942	8.2
95.08597	8.4
96.49718	2.5
97.02898	3.0
101.02293	2.3
105.07043	15.4
107.04975	3.2
107.08604	9.4
109.06509	4.5
109.10170	7.1
111.00796	3.9
115.05449	3.5
116.89193	2.2
117.07012	6.9
119.08580	12.7
121.02879	3.5
121.06484	3.8
121.10134	6.6
123.04418	3.7
123.11691	2.4
125.02355	3.0
125.95955	2.4
128.06233	6.4
129.07014	7.3
131.08577	14.1
133.06548	4.0
133.10147	9.0
135.04469	2.7
135.08049	3.6
135.11681	3.9
141.07013	5.8
142.07738	5.7
143.08568	14.1
145.06459	3.6
145.10136	11.9
147.08064	6.4
147.11685	5.4
149.09561	2.6
155.08530	8.4
156.09338	6.2
157.10146	16.0
159.08058	5.7
159.11714	12.5
160.60699	2.4
161.05942	5.2
161.09593	4.8
161.13280	2.7
163.07471	2.3
165.07005	4.6
167.07214	3.0
167.08598	7.1
168.09311	3.2
169.10129	18.0
170.10800	3.2
171.08110	4.5
171.11691	7.7
173.09650	6.1
173.13249	5.4
175.07567	2.3
175.11151	2.8
179.08546	7.2
180.09172	3.7
181.08670	2.9
181.10132	11.7
182.10931	4.2
183.08020	3.7
183.11691	22.3
185.09630	7.0
185.13280	8.9
187.07593	6.3
187.11185	7.0
192.09312	5.3
193.10133	10.6
194.10956	4.2
195.08081	5.1
195.11693	13.3
196.12451	4.1
197.09654	5.7
197.13283	9.1
199.06061	3.0
199.11177	3.9
199.14833	3.3
201.09059	4.0
201.12717	5.9
201.16498	3.1
203.08629	5.1
203.10516	3.0
205.10118	6.0
206.10780	5.5
207.11700	10.3
208.12544	3.5
209.09602	7.6
209.13377	5.1
211.11165	5.4
211.14764	4.1
213.07494	4.8
213.09348	2.8
216.09428	2.4
217.10139	7.6
217.15907	2.3
218.10867	5.5
219.11690	7.6
221.09613	5.6
221.13271	5.8
223.11200	7.0
223.14703	4.0
225.09116	3.8
225.12802	7.5
227.10834	2.7
227.14285	3.4
230.10814	5.5
231.08060	3.2
231.11700	7.3
232.12419	5.3
233.09634	4.9
233.13246	8.1
234.10478	3.1
235.11182	6.0
235.14801	2.8
237.09113	3.4
237.12738	7.4
238.13474	2.5
239.10687	4.0
239.14307	3.0
241.07289	6.6
242.07870	11.9
243.08427	5.0
243.11734	4.2
243.13948	3.1
245.09448	3.1
245.13348	4.0
246.10315	3.2
247.11197	6.3
247.14925	4.1
249.12755	11.2
249.16463	3.1
251.10703	8.3
251.14163	3.4
252.06622	5.1
253.06854	3.2
253.12267	3.1
255.13925	2.8
258.06799	2.3
258.13895	2.5
259.11078	4.3
261.12964	3.4
263.10608	3.5
263.14328	4.4
265.12415	3.1
266.08020	3.7
267.13895	4.2
269.15524	3.4
271.17148	4.2
275.10733	6.6
275.14316	6.1
277.12238	6.7
279.10272	3.9
279.13818	5.3
281.15497	4.0
289.08871	3.0
289.12363	3.8
289.15570	3.4
291.13794	2.9
293.11795	5.6
293.14996	4.7
297.10910	3.5
303.13937	5.2
303.17218	4.0
305.11514	3.2
307.13187	2.7
309.14691	2.9
311.16537	4.2
317.15347	4.5
319.13550	4.4
321.14890	6.4
329.11700	2.6
331.13483	4.0
335.16306	7.3
345.14859	6.6
349.14255	6.0
349.17929	3.1
359.16580	4.0
363.16016	6.9
365.17465	3.4
367.11554	3.2
367.15677	5.2
373.14246	4.7
377.17361	4.7
379.26297	4.3
381.16919	5.9
385.16415	7.8
387.16010	4.3
391.15482	7.3
393.13208	5.6
395.18484	3.1
397.27463	3.0
405.16956	4.7
409.16449	14.1
413.08365	5.6
423.18262	11.4
427.17786	20.6
429.11508	11.4
443.20511	3.2
451.17395	6.5
451.31754	3.2
469.19348	26.2
469.32800	4.1
487.14951	100.0
487.34885	4.2
488.16422	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	487.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21195	1.2
53.03954	3.3
54.33564	1.6
55.01876	6.7
55.05505	4.4
57.03432	3.6
57.07067	2.1
61.02907	2.7
61.28989	1.4
63.05384	1.3
67.05487	4.4
69.03430	9.7
69.07054	4.7
69.49334	1.3
69.88306	7.4
70.06589	13.4
71.04984	2.3
72.08136	4.6
73.02911	2.1
79.05474	4.9
81.03420	12.0
81.07039	7.2
83.04960	4.0
84.04498	2.4
84.08120	4.8
85.02909	20.1
85.06545	14.2
86.09717	7.3
87.04478	2.5
91.03970	1.7
91.05485	8.9
93.07027	5.6
95.04948	5.1
95.08613	6.8
97.02889	10.0
97.06534	3.5
98.20902	1.4
99.04427	3.5
101.06016	1.7
105.03391	3.1
105.07031	3.9
107.04939	4.5
107.08579	4.6
109.02859	6.4
109.06525	2.5
109.10165	3.8
110.07204	1.7
111.04461	2.2
119.04934	8.2
119.08553	2.9
121.02868	19.2
121.06501	2.5
121.10115	3.4
123.08070	3.4
127.03934	9.1
129.10176	1.8
131.04919	1.8
133.02864	7.7
133.06480	2.2
133.10133	2.7
135.04411	2.2
135.11658	1.8
136.07581	1.8
137.05978	4.0
138.09172	1.7
145.02852	2.1
145.04939	3.3
145.10132	2.1
147.04369	10.5
149.05956	3.0
150.07767	21.7
159.02855	1.6
159.04228	1.6
159.11594	1.6
160.07614	1.6
161.06038	2.1
161.09593	2.5
161.13310	2.6
162.03079	1.5
163.03908	62.6
163.07492	2.6
163.11125	2.2
164.04453	2.0
165.05409	3.5
167.06998	1.7
168.58806	1.4
173.05978	2.1
173.09525	2.3
175.03922	14.7
175.11131	1.8
176.07072	2.0
177.05458	7.9
178.05014	14.5
187.03908	4.7
189.05515	2.1
191.10652	3.3
194.06189	1.6
201.05452	3.7
203.03386	3.9
205.04979	21.9
206.04482	19.4
207.06516	22.1
208.07048	2.0
212.07404	3.0
217.04985	2.5
217.08542	3.0
219.10234	14.3
221.11783	2.1
221.15488	1.7
223.05917	2.8
229.05016	3.1
229.08635	10.5
229.11996	1.7
239.12817	2.0
247.09674	100.0
261.11249	3.7
265.07034	1.7
271.09680	9.3
289.10684	53.2
289.25638	1.3
301.10751	2.2
302.88882	1.5
307.11948	2.1
307.26294	3.2
313.10773	1.9
325.10324	2.6
325.13287	1.8
327.06488	1.5
355.11755	4.3
487.17557	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	486.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01871	7.6
55.05503	2.7
57.03430	1.7
57.07064	5.6
61.02921	2.7
65.03939	3.8
65.13346	1.3
67.05178	1.7
67.05505	18.8
67.88031	1.0
69.03437	6.3
69.07079	7.4
70.06578	2.4
71.04976	1.5
71.53474	1.6
71.53844	1.4
79.05492	2.1
81.03418	4.2
81.07043	4.3
83.04961	2.7
84.04489	1.1
84.08141	1.4
85.02908	13.2
85.06545	31.3
86.09696	1.9
91.05483	15.9
92.05817	3.5
93.07026	2.4
95.04951	1.4
95.08594	1.7
97.02887	5.1
103.05453	2.9
105.07037	2.4
107.04975	2.2
107.08582	2.3
109.02869	2.1
109.10196	1.6
114.03908	1.1
117.07074	1.2
119.04946	20.4
119.08580	1.6
120.05299	6.7
121.10148	1.7
127.03911	4.5
131.04930	12.0
131.08589	2.4
133.02847	4.4
135.04381	3.5
145.04987	2.6
145.10109	1.5
147.04402	31.0
148.04729	6.9
149.06091	1.6
149.07423	2.1
149.13382	1.4
159.04405	16.6
159.08052	4.8
159.11635	1.2
161.05908	1.3
163.03902	87.0
164.04231	2.2
171.04396	1.7
173.06012	2.1
173.09653	1.6
175.03905	37.8
176.04230	17.7
177.05495	9.0
178.05008	1.2
179.03050	1.2
179.07037	1.2
180.07219	1.2
183.08096	2.5
185.06042	1.4
187.03911	21.2
187.07539	58.8
189.05428	2.7
191.03355	11.1
199.07587	4.6
201.05507	2.3
201.09117	19.3
203.03389	24.6
203.06924	5.4
205.04959	100.0
206.05063	1.3
207.06519	41.6
207.08412	2.6
208.06885	30.9
211.07571	7.7
215.03375	1.5
221.04451	7.3
221.15251	1.3
223.06007	2.4
225.09256	1.8
229.08597	48.9
230.08932	1.7
233.04443	56.3
243.10179	9.5
245.08115	2.6
247.09686	7.4
253.08652	4.2
258.08801	1.2
261.12637	2.2
262.12860	3.3
271.09647	37.1
279.10541	2.7
289.10690	53.5
290.10901	2.0
307.11884	1.4
324.12283	1.4
355.13400	1.7
356.13663	1.6
439.93896	1.4
468.18921	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	486.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01867	1.2
55.05505	1.0
57.03439	0.8
57.07069	1.8
59.04982	1.0
67.05493	2.4
69.03443	3.4
69.07057	2.4
70.02932	2.0
70.06590	1.7
71.12785	1.5
71.95795	0.6
72.04521	6.5
73.02893	1.6
79.05483	2.0
81.03417	3.2
81.07036	1.1
82.03789	0.6
83.04988	1.0
85.02911	3.3
85.06557	4.2
86.09706	1.5
87.00826	0.9
87.08101	1.5
90.05553	48.8
93.07034	1.1
95.04954	4.9
95.39516	0.6
97.02893	2.6
97.06537	0.6
98.02409	5.8
99.04449	1.1
100.03944	0.7
103.07590	4.0
105.03387	13.3
105.07026	1.6
107.08586	1.4
109.02876	2.0
111.04547	0.9
113.06012	1.5
116.03456	8.7
121.10134	0.9
123.04428	1.2
124.07583	8.9
127.03899	1.7
133.10063	0.8
142.08643	4.8
160.09714	1.5
166.08650	1.2
172.12114	0.8
174.11319	1.6
184.09654	10.7
202.10747	19.8
202.12534	1.4
207.06483	0.9
220.11795	100.0
221.12247	0.9
249.07607	1.6
285.64645	0.7
429.09839	0.7
486.20621	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.3
55.05505	1.5
57.03426	0.9
57.07058	1.4
61.02901	0.9
65.03922	0.9
67.05491	3.0
67.85223	0.7
69.03439	4.3
69.07070	8.9
70.06586	3.1
70.64910	2.4
71.04973	1.1
72.08145	0.9
79.05501	1.0
81.03405	3.1
81.07065	3.7
83.04962	1.5
84.04508	1.0
84.08137	1.3
85.02904	7.7
85.06528	2.7
86.09695	1.2
87.00818	1.6
91.05479	3.4
93.07042	2.2
95.04955	1.7
95.08578	1.6
97.02885	3.2
105.03405	0.9
105.07010	2.7
107.04961	1.3
107.08579	2.1
109.02880	2.5
109.10144	1.1
111.01770	0.8
112.07628	0.8
119.08600	1.0
127.03902	3.0
128.07042	0.8
129.07001	1.2
131.04951	3.6
131.08553	2.2
133.10144	2.2
134.06000	0.9
135.08061	1.3
136.06216	1.8
145.04950	1.5
145.06467	1.0
145.10118	1.8
147.04402	7.4
147.11781	0.9
148.11938	1.0
149.06050	1.4
159.03119	1.0
159.04399	3.2
159.08032	2.3
159.11699	0.9
161.13176	0.8
163.03911	10.3
172.94180	0.9
173.06064	1.3
173.09581	1.0
175.03911	7.4
177.05469	1.7
180.08705	1.2
183.08089	1.3
185.05841	1.7
185.13203	1.0
187.03993	6.6
187.07542	55.6
188.07922	1.3
189.05450	2.9
191.03406	2.2
199.07520	3.1
201.05453	1.6
201.09117	5.4
203.03401	15.6
205.04958	8.0
207.06671	1.4
211.07535	4.4
219.17535	0.9
220.17749	0.8
229.08598	60.6
230.08841	1.1
233.04393	6.3
237.18520	1.5
238.05197	0.8
238.18929	2.9
243.10187	2.6
247.09621	2.1
258.87164	0.7
271.06854	1.4
271.09650	17.3
289.10703	100.0
290.11017	3.0
388.19803	1.6
400.97726	0.8
426.87463	0.8
491.86417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.3
55.05505	1.5
57.03426	0.9
57.07058	1.4
61.02901	0.9
65.03922	0.9
67.05491	3.0
67.85223	0.7
69.03439	4.3
69.07070	8.9
70.06586	3.1
70.64910	2.4
71.04973	1.1
72.08145	0.9
79.05501	1.0
81.03405	3.1
81.07065	3.7
83.04962	1.5
84.04508	1.0
84.08137	1.3
85.02904	7.7
85.06528	2.7
86.09695	1.2
87.00818	1.6
91.05479	3.4
93.07042	2.2
95.04955	1.7
95.08578	1.6
97.02885	3.2
105.03405	0.9
105.07010	2.7
107.04961	1.3
107.08579	2.1
109.02880	2.5
109.10144	1.1
111.01770	0.8
112.07628	0.8
119.08600	1.0
127.03902	3.0
128.07042	0.8
129.07001	1.2
131.04951	3.6
131.08553	2.2
133.10144	2.2
134.06000	0.9
135.08061	1.3
136.06216	1.8
145.04950	1.5
145.06467	1.0
145.10118	1.8
147.04402	7.4
147.11781	0.9
148.11938	1.0
149.06050	1.4
159.03119	1.0
159.04399	3.2
159.08032	2.3
159.11699	0.9
161.13176	0.8
163.03911	10.3
172.94180	0.9
173.06064	1.3
173.09581	1.0
175.03911	7.4
177.05469	1.7
180.08705	1.2
183.08089	1.3
185.05841	1.7
185.13203	1.0
187.03993	6.6
187.07542	55.6
188.07922	1.3
189.05450	2.9
191.03406	2.2
199.07520	3.1
201.05453	1.6
201.09117	5.4
203.03401	15.6
205.04958	8.0
207.06671	1.4
211.07535	4.4
219.17535	0.9
220.17749	0.8
229.08598	60.6
230.08841	1.1
233.04393	6.3
237.18520	1.5
238.05197	0.8
238.18929	2.9
243.10187	2.6
247.09621	2.1
258.87164	0.7
271.06854	1.4
271.09650	17.3
289.10703	100.0
290.11017	3.0
388.19803	1.6
400.97726	0.8
426.87463	0.8
491.86417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.8
54.56815	0.5
55.01857	0.9
55.05488	1.2
55.19960	0.6
57.03421	0.8
58.06545	0.7
60.04509	0.9
65.03918	1.8
67.05474	1.5
69.03404	2.8
69.07061	1.6
70.06593	14.7
70.57444	2.0
71.04961	0.8
72.08131	2.6
74.06049	0.8
76.18702	0.6
79.05474	1.3
81.03424	5.7
81.07021	1.9
82.06566	0.7
83.04957	2.7
84.08169	3.8
85.02905	4.8
85.06512	0.9
86.09706	6.3
87.00806	0.8
91.05461	2.7
92.67332	0.6
93.07041	1.5
95.04967	3.7
95.08591	0.9
97.02860	2.9
99.04449	1.2
100.07630	0.9
100.11205	1.6
101.11542	0.7
103.05485	1.0
105.02720	1.2
105.03387	16.2
105.06976	1.4
106.06538	1.4
107.04936	1.0
107.08567	1.0
109.02892	3.9
109.10149	1.6
110.07166	1.6
111.04433	3.0
112.07623	0.9
114.05517	0.9
114.09167	4.0
115.09515	1.0
116.07092	1.4
119.04961	0.8
119.08569	0.7
120.08109	1.8
121.02866	52.7
121.06501	1.0
122.03142	0.8
123.08054	0.7
124.07591	1.1
127.03889	3.1
128.07042	2.0
129.10220	1.6
130.06497	1.4
131.04901	2.2
131.08607	1.4
132.08035	1.2
133.02846	1.0
135.04393	1.7
138.09169	0.7
139.03914	3.0
143.08598	0.6
144.06598	0.7
145.02823	1.3
147.04369	1.7
147.07814	1.0
148.07549	1.4
149.05972	1.1
151.03882	1.9
158.05942	2.0
159.06767	0.8
160.07570	3.4
162.05492	1.6
163.07484	0.7
170.09692	0.8
175.03876	1.6
176.07071	1.9
177.05458	2.8
182.15486	1.4
186.09134	85.9
187.09436	2.6
190.08623	2.4
198.09088	1.2
204.10196	100.0
205.10506	2.6
206.08060	0.9
207.06473	3.1
208.09778	0.9
210.14833	1.0
211.15144	0.9
213.12320	0.8
214.12361	1.0
216.10139	1.5
230.11630	1.5
234.11247	2.9
242.98991	0.7
246.11325	0.7
250.14417	1.3
265.06989	1.6
268.08310	0.8
270.14957	1.0
271.13300	2.1
288.15970	2.0
289.14355	1.2
306.17010	2.2
324.18146	4.9
338.21759	0.7
356.23172	0.6
366.15378	4.0
462.75702	0.7
469.30682	0.7
486.17603	39.8
486.33401	1.8
487.18085	2.7
509.03638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3263
Annotation	Cimicidanol
Peak:m/z	Relative Intensity
50.79930	2.9
53.03949	4.2
55.01856	4.0
55.05504	19.4
57.07073	4.6
59.05010	4.4
67.05509	23.7
69.03434	7.4
69.07063	25.0
70.48759	13.5
71.04985	9.8
72.08160	3.0
79.05502	35.8
81.03400	3.9
81.06587	6.0
81.07053	84.7
83.04965	7.8
83.08592	11.0
84.04496	7.1
85.02932	3.8
85.06521	9.4
86.60491	3.1
91.05482	44.5
93.07045	56.0
95.04961	13.6
95.08604	32.1
97.06518	12.2
97.10140	5.8
98.20783	4.0
99.04443	8.8
99.08076	6.7
102.05537	7.8
105.07030	50.6
106.07398	3.0
107.04924	3.4
107.08604	53.9
109.06522	39.5
109.10141	17.8
111.08056	7.1
111.68315	3.0
115.05437	5.9
117.07017	15.5
117.74098	3.2
118.04543	3.4
119.08580	66.3
121.06531	6.3
121.10152	30.1
123.08054	10.3
123.11680	8.8
127.07526	6.4
128.06142	4.2
129.06987	11.3
131.08562	35.5
133.06459	3.7
133.10130	53.1
135.08041	18.4
135.11668	15.1
137.09607	6.0
139.11153	6.3
141.07011	4.4
142.07753	10.3
143.08556	26.6
145.10138	50.1
147.08032	8.3
147.11681	30.6
149.09601	36.6
149.13200	6.1
151.07449	3.1
153.09175	3.4
155.08546	10.1
156.09319	4.7
157.10130	56.1
158.10823	4.8
159.08080	7.1
159.11687	36.7
161.09622	26.1
161.13225	12.7
163.11174	12.3
165.09161	4.5
169.10112	24.8
170.10745	3.8
171.11679	34.8
173.09605	21.1
173.13219	26.9
175.11162	19.6
175.14821	8.3
177.09116	5.4
177.12793	7.0
179.10614	10.8
180.09303	3.6
181.10094	9.9
183.11681	22.6
185.13310	30.5
187.11113	11.6
187.14799	12.7
189.12714	10.4
191.10675	15.7
193.10306	6.4
193.12219	18.0
195.11664	14.7
195.13464	3.4
196.12628	3.3
197.13226	17.4
199.11087	8.9
199.14809	14.8
201.12729	8.2
201.16403	6.6
203.14319	15.8
204.07953	3.4
205.10248	4.4
205.12178	8.2
207.11766	9.5
207.13765	8.8
209.13231	15.0
211.11147	4.4
211.14763	13.5
213.12735	5.8
215.10796	4.1
215.14314	11.6
217.12250	18.2
219.11751	3.7
219.13724	6.4
221.13260	10.2
221.15245	5.4
223.14796	12.3
223.16850	4.4
225.12733	4.4
225.16309	11.8
227.14287	8.9
227.17928	8.4
229.12137	4.9
229.15865	4.8
231.13873	6.7
233.13316	6.1
233.15308	22.7
235.14821	4.9
237.16367	5.2
239.17796	4.5
242.08096	16.3
243.13818	8.9
243.17560	6.4
245.15500	15.7
245.18994	6.4
247.14691	5.0
247.16879	12.8
249.16536	5.3
251.17841	5.1
253.15721	3.7
257.15454	7.1
259.16971	9.5
263.17892	3.6
265.15814	6.3
267.17395	5.9
271.16998	4.9
275.18057	4.6
279.21249	5.4
281.19019	4.7
283.17047	6.8
285.18539	6.9
287.20050	10.5
293.18875	9.8
297.18201	4.5
303.19650	7.9
309.18625	6.4
309.22015	6.4
311.20175	5.0
317.22510	3.8
317.38013	3.4
325.21683	19.1
327.23123	12.3
335.20029	11.3
335.23770	9.2
349.25098	6.4
351.23169	5.3
353.21033	17.1
353.24817	8.1
367.26181	9.4
377.24722	18.3
383.25516	5.2
385.27588	4.2
395.25809	83.1
396.26254	6.1
407.25531	5.1
413.26883	100.0
413.32315	3.4
414.26920	4.1
431.29395	6.8
449.30341	12.5
467.31757	34.2
485.32797	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3259
Annotation	Cimicidanol
Peak:m/z	Relative Intensity
53.03941	2.4
55.01876	2.6
55.05512	11.7
57.07064	4.5
65.03941	2.4
67.05511	14.0
69.03432	3.0
69.07073	11.5
70.68405	6.0
71.04986	7.9
71.28539	2.1
79.05493	27.3
81.03456	2.5
81.07056	94.3
83.04971	6.3
83.08615	9.0
83.57607	2.0
85.06533	5.8
91.05486	28.7
93.07050	34.3
95.04980	5.3
95.08621	19.7
97.06543	6.9
99.04456	8.7
99.08062	2.1
101.05978	2.2
105.07037	34.0
107.04939	2.7
107.08603	41.5
109.06516	41.8
109.10159	10.1
111.08118	4.5
117.07027	8.8
119.08589	50.4
121.06495	3.1
121.10143	18.8
123.08073	6.3
123.11685	3.6
125.06032	2.5
125.09647	2.8
127.07581	4.0
128.06224	5.0
129.06950	5.5
131.08560	23.9
133.10138	39.4
135.08040	18.8
135.11703	9.2
137.09624	5.3
142.07820	5.5
143.08585	19.6
145.10132	28.9
147.08066	7.3
147.11682	20.7
149.09630	25.4
149.13254	4.7
151.07593	3.3
151.11206	3.3
153.07008	2.5
153.09174	2.2
155.08588	7.0
156.09349	3.2
157.10133	29.4
158.10851	3.0
159.08086	4.8
159.11702	23.0
161.09634	23.4
161.13289	10.3
163.03935	2.0
163.07504	2.4
163.11174	5.8
165.06923	2.6
165.09067	3.0
168.09293	2.6
169.10153	9.0
170.10887	3.5
171.11691	19.3
173.09622	10.5
173.13232	14.2
175.11250	12.3
175.14832	3.7
177.09100	3.1
177.12738	4.2
179.10713	7.1
181.10139	4.8
182.10992	2.8
183.11684	13.2
185.13248	20.2
187.11241	6.3
187.14786	9.6
189.12743	6.0
189.16420	2.4
191.10684	8.6
193.10434	4.0
193.12251	11.5
195.11659	10.1
197.11676	2.1
197.13167	11.1
199.11235	5.3
199.14838	6.8
200.10629	10.9
201.12747	5.7
201.16400	4.6
203.10704	2.2
203.14342	13.9
205.15764	2.2
207.11670	6.4
207.13623	4.2
209.13263	5.5
211.11322	2.8
211.14859	7.3
213.12776	3.9
213.16423	4.5
215.14342	6.6
217.12218	8.0
217.15775	2.8
219.11838	2.9
219.13841	5.5
221.13228	5.2
221.15324	4.1
223.14833	9.5
223.16899	2.1
225.16426	6.8
227.14258	6.8
227.18001	5.6
229.15968	3.2
231.13771	3.9
233.13260	3.6
233.15318	13.9
235.11188	2.6
235.14915	3.9
235.16963	3.9
237.16463	4.0
239.14322	2.7
243.13857	3.5
243.17416	7.1
245.15375	8.1
245.19003	5.7
247.14767	2.2
247.16994	10.2
249.16408	5.6
251.18062	3.5
253.15846	4.5
255.13541	2.7
257.15417	4.2
259.17001	3.3
261.18527	2.7
263.17755	2.4
265.19678	2.8
267.17596	3.5
269.18958	3.2
271.16846	2.5
283.17050	3.6
285.18494	6.1
287.20084	6.5
289.21750	2.5
291.17450	3.1
293.19086	6.1
299.20129	2.5
303.19580	2.9
305.21085	5.8
307.20636	4.1
309.18530	3.8
311.20157	3.3
323.20178	2.8
325.21542	6.2
327.23163	7.0
333.22040	2.2
335.19980	4.3
335.23752	6.8
349.25366	2.7
351.23071	4.3
353.21063	6.8
353.24826	6.2
359.23645	4.4
365.24854	3.5
367.26352	5.4
369.24429	2.7
372.99887	2.8
377.24762	11.7
383.25949	2.8
385.27341	3.4
395.25882	47.0
396.26508	3.1
407.25452	2.4
413.26889	100.0
414.27103	6.0
431.29630	2.2
449.30646	11.3
467.31586	27.0
485.17108	2.8
485.32489	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	6.8
55.36183	3.1
57.07063	4.0
62.35177	3.2
65.03919	6.9
67.05508	29.3
69.07061	18.0
71.04996	3.7
71.18956	8.2
79.05480	9.4
81.07055	13.5
85.06541	17.7
91.05482	13.7
93.07046	35.5
95.08599	8.6
105.03394	6.7
105.07028	21.1
107.08591	9.2
109.10182	5.9
119.08578	32.2
121.10131	5.6
123.11726	5.3
131.08560	7.5
133.10129	12.6
135.11674	8.7
137.13269	4.4
143.08563	5.8
147.04434	9.3
147.08052	21.0
147.11618	5.3
149.06009	9.3
159.11702	7.7
161.09669	3.9
161.13269	58.4
171.11641	5.0
172.95226	8.2
173.13237	3.3
175.03900	92.9
177.05473	19.5
183.11697	4.6
184.11264	5.4
185.13441	4.7
185.15173	3.2
186.96823	17.4
187.03949	24.0
187.07605	3.8
189.05524	5.3
189.09099	14.1
189.12822	5.7
190.96310	4.3
195.11465	3.3
201.05392	8.0
201.09138	4.5
204.97906	9.0
213.09149	7.8
226.06224	10.1
229.08627	23.3
231.10135	5.3
241.08554	22.3
243.10257	16.3
247.09669	100.0
249.11600	4.4
251.05489	3.1
259.09769	5.7
261.14859	35.5
301.18240	3.3
311.16415	10.2
312.28543	3.3
313.14352	29.3
317.17972	16.1
331.15460	13.6
335.18900	4.8
350.60022	3.5
363.26593	3.6
365.20816	7.5
377.21054	3.9
383.22110	12.8
395.22122	8.9
449.26810	18.4
471.18109	10.5
482.23038	3.3
485.30972	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	485.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.6
57.03421	5.8
57.06829	2.6
57.07075	30.6
59.04985	2.0
67.05494	6.3
69.07056	5.5
69.36743	10.7
69.37173	6.8
71.08632	27.2
79.05480	4.3
81.07055	22.3
83.08614	9.7
85.10186	14.8
89.06040	13.3
89.12890	1.7
91.05488	7.8
93.07043	8.3
95.04969	2.3
95.08612	15.7
97.10173	2.6
98.98464	8.3
105.07028	3.0
107.08623	3.4
109.10123	6.0
119.08566	5.3
121.06476	9.3
121.10148	3.2
123.11711	3.8
133.08611	8.6
133.10068	3.4
135.11671	2.2
137.13269	3.1
142.83359	1.9
145.10114	2.3
145.23105	1.8
149.09607	1.9
155.01060	4.1
159.11650	2.7
165.09123	3.9
168.26888	1.8
233.04385	3.5
247.20546	2.8
254.82755	1.7
291.23181	5.0
312.02386	1.8
313.14334	3.4
313.27359	100.0
314.14557	5.1
314.27560	3.0
358.44312	2.0
449.26297	3.2
450.27191	5.3
485.28339	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	6.8
55.36183	3.1
57.07063	4.0
62.35177	3.2
65.03919	6.9
67.05508	29.3
69.07061	18.0
71.04996	3.7
71.18956	8.2
79.05480	9.4
81.07055	13.5
85.06541	17.7
91.05482	13.7
93.07046	35.5
95.08599	8.6
105.03394	6.7
105.07028	21.1
107.08591	9.2
109.10182	5.9
119.08578	32.2
121.10131	5.6
123.11726	5.3
131.08560	7.5
133.10129	12.6
135.11674	8.7
137.13269	4.4
143.08563	5.8
147.04434	9.3
147.08052	21.0
147.11618	5.3
149.06009	9.3
159.11702	7.7
161.09669	3.9
161.13269	58.4
171.11641	5.0
172.95226	8.2
173.13237	3.3
175.03900	92.9
177.05473	19.5
183.11697	4.6
184.11264	5.4
185.13441	4.7
185.15173	3.2
186.96823	17.4
187.03949	24.0
187.07605	3.8
189.05524	5.3
189.09099	14.1
189.12822	5.7
190.96310	4.3
195.11465	3.3
201.05392	8.0
201.09138	4.5
204.97906	9.0
213.09149	7.8
226.06224	10.1
229.08627	23.3
231.10135	5.3
241.08554	22.3
243.10257	16.3
247.09669	100.0
249.11600	4.4
251.05489	3.1
259.09769	5.7
261.14859	35.5
301.18240	3.3
311.16415	10.2
312.28543	3.3
313.14352	29.3
317.17972	16.1
331.15460	13.6
335.18900	4.8
350.60022	3.5
363.26593	3.6
365.20816	7.5
377.21054	3.9
383.22110	12.8
395.22122	8.9
449.26810	18.4
471.18109	10.5
482.23038	3.3
485.30972	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	485.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.5
55.03260	3.9
55.05519	9.0
57.07072	15.2
58.81923	2.9
67.05491	21.9
69.07076	22.3
70.13908	15.5
71.08633	8.1
79.05515	16.0
81.07054	100.0
85.06542	7.5
87.04482	7.0
91.05478	11.8
93.07039	23.1
95.04948	3.5
95.08598	29.4
98.20815	4.7
105.07029	32.8
107.08582	16.7
109.10191	15.8
117.07037	4.9
119.04955	6.5
119.08584	22.6
121.10143	8.9
123.11745	6.7
133.10126	15.4
135.11673	9.0
137.06033	3.2
137.13239	7.8
145.06485	4.9
147.04430	14.7
155.01042	4.2
159.04414	4.8
159.08081	5.3
159.11682	11.6
161.05995	3.8
161.13263	72.8
163.03922	10.4
173.02341	4.7
173.13367	5.3
173.95190	3.2
175.03915	28.2
177.05505	12.9
187.03954	7.7
189.12773	9.2
191.03410	4.1
193.04985	16.0
193.61418	3.3
199.03882	3.7
201.05536	12.8
202.02649	5.3
203.03397	13.0
203.06902	3.5
205.04942	6.5
213.05428	5.2
215.03366	10.4
215.06955	6.4
216.04204	10.1
217.01303	4.3
217.04973	10.8
217.08575	12.0
218.02113	11.4
221.15434	14.9
226.06187	5.0
229.04921	29.6
229.08553	6.8
230.02151	11.8
231.02878	58.0
231.06453	6.4
231.10072	4.9
233.04463	54.4
241.08606	7.9
242.05771	7.3
242.08736	3.1
245.04475	14.2
247.06096	4.0
247.09763	6.1
253.08556	4.6
257.08084	66.1
259.09735	13.3
260.09964	3.8
269.08002	5.8
271.09821	8.4
275.05594	5.7
277.10712	28.0
279.09637	4.1
289.10757	9.4
295.13409	4.7
299.09201	20.5
302.85974	3.5
313.14236	12.0
313.27319	34.0
317.10153	21.7
323.16510	7.3
329.10168	6.2
331.11746	7.6
331.15604	3.8
339.15860	5.3
349.12701	8.4
351.16098	5.7
393.20560	4.9
425.23218	15.8
453.22818	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	485.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.2
55.01867	6.4
55.05515	12.6
57.03420	6.6
61.02919	3.0
65.03920	2.4
67.05497	25.0
69.03429	24.8
69.07063	17.2
69.92923	2.0
70.06580	7.1
71.04981	8.6
71.53893	3.5
72.08131	2.6
73.02901	3.7
75.60998	2.1
79.05487	26.5
81.03424	23.1
81.07055	100.0
83.04980	9.4
83.08643	3.1
84.04472	2.7
84.08123	3.1
85.02903	42.8
85.06540	6.4
86.09701	5.9
87.00826	17.6
91.05483	22.0
93.07041	58.9
95.04952	10.9
95.08600	42.4
97.02888	18.8
97.06532	8.9
97.10167	2.6
99.04437	10.4
105.01864	10.0
105.03394	2.4
105.07027	51.1
107.04958	2.3
107.08591	39.0
109.02889	26.2
109.06538	11.2
109.10153	38.2
111.08097	11.7
111.08766	2.1
111.11777	2.5
115.03893	3.8
117.01844	2.3
117.06990	7.5
119.04962	3.1
119.08579	40.3
121.02896	4.2
121.06512	6.1
121.10136	49.6
123.04485	2.5
123.08047	5.7
123.11716	14.1
125.09631	8.7
127.03917	33.4
129.01781	2.4
129.07004	4.2
130.07762	2.6
131.08575	16.8
133.06522	2.9
133.10124	30.2
134.06006	5.2
135.08000	4.2
135.11681	15.2
137.09608	5.7
139.11256	2.7
141.07036	2.4
143.08565	3.6
144.09366	5.0
145.04993	10.2
145.10133	33.4
147.11665	24.7
149.09631	5.7
149.13280	7.3
151.07474	3.2
151.11177	9.5
153.12720	4.6
157.10074	5.0
159.02887	6.4
159.11684	30.9
161.09674	2.2
161.13234	17.9
163.11150	10.0
163.14752	3.0
173.13268	8.8
175.03821	2.4
175.14853	6.3
177.05426	3.8
179.14333	2.7
184.07307	4.3
191.17958	3.0
201.09158	2.4
201.16396	36.0
207.06435	4.7
219.13843	3.4
219.17424	25.9
227.13181	2.5
231.04863	3.8
237.14807	6.7
237.18471	7.7
242.85405	2.0
323.09119	3.0
323.25620	2.3
335.09204	2.3
485.19971	7.4
485.23862	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	485.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.0
55.01863	6.7
55.05508	14.1
57.03437	5.9
57.07084	4.7
61.02919	4.5
63.19345	2.6
63.30669	2.1
65.03933	4.4
67.05508	33.5
68.99788	4.0
69.03429	28.1
69.07066	20.6
70.06590	4.7
70.93101	3.9
71.04982	8.3
73.02895	4.0
73.97435	2.0
75.40849	2.1
79.05496	32.0
81.03411	22.3
81.07050	100.0
81.78065	2.1
83.04977	6.3
83.08607	5.0
84.04533	2.3
84.08159	4.6
85.02908	28.1
85.06548	4.4
86.09704	5.4
87.00810	10.8
91.05489	29.8
93.07039	54.8
95.04967	16.3
95.08599	45.2
97.02892	20.9
97.06517	10.8
98.09719	2.4
99.04453	7.7
99.08141	2.9
105.01863	9.1
105.03394	4.7
105.06330	2.9
105.07025	58.6
107.04950	3.9
107.08598	49.7
109.02901	20.1
109.06512	10.6
109.10151	57.6
111.08073	11.0
113.09711	2.3
115.05497	2.6
117.06966	12.4
118.83891	2.5
119.04923	4.1
119.08576	41.5
121.02893	2.9
121.06512	7.3
121.10143	74.9
123.04405	4.1
123.08097	7.8
123.11696	10.1
125.09641	5.2
127.03905	23.0
127.11244	2.8
129.06964	6.2
130.07774	2.8
130.62010	2.4
131.08566	22.7
133.02841	6.9
133.06497	3.5
133.10118	21.3
135.04359	3.4
135.08054	6.2
135.11702	17.4
137.06010	2.7
137.09598	5.1
139.11232	2.8
141.06873	2.4
141.36032	2.6
142.07802	3.3
143.08572	7.1
144.09354	3.6
145.04930	6.4
145.06328	3.3
145.10117	50.2
147.04437	5.2
147.08034	3.8
147.11711	14.8
149.09650	4.8
149.13243	9.9
150.08620	2.3
151.03900	17.7
151.11206	9.5
155.10605	3.5
157.10124	9.7
159.02928	7.0
159.08093	4.6
159.11688	37.7
161.09666	4.7
161.13264	23.5
163.11143	12.2
163.14815	3.3
165.07001	2.7
169.10031	3.0
171.08017	3.9
171.11783	3.7
173.05994	4.1
173.09644	2.9
173.13249	10.0
175.07516	3.7
175.14787	4.6
177.12776	5.0
183.11736	3.2
185.13316	3.2
191.07098	3.0
191.17850	2.6
197.09644	4.7
199.11157	3.1
201.16379	42.8
203.03432	7.2
219.17404	18.1
237.18550	3.2
255.13885	3.7
259.06042	2.9
267.13611	2.7
281.08163	2.8
323.09161	17.0
363.15872	6.8
381.16992	4.3
467.16690	4.4
485.13004	4.7
485.18567	4.6
485.32977	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	485.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.1
55.01863	6.7
55.05503	11.0
57.03425	3.5
58.87753	2.6
59.57507	2.3
61.02911	2.3
65.49960	2.0
67.00108	2.2
67.05506	29.9
69.03146	2.1
69.03429	25.3
69.07073	14.6
69.82947	5.7
69.83355	11.0
70.06590	11.2
71.04990	10.5
73.02896	3.7
75.37578	2.2
75.53989	2.1
79.05499	33.6
81.03411	23.0
81.07056	100.0
81.52889	2.3
83.04989	4.7
83.08601	6.6
84.08118	2.9
85.02435	3.8
85.02907	40.8
85.06533	2.6
85.07664	6.6
86.09712	3.9
87.00851	15.8
88.08054	3.1
91.05482	22.4
93.07044	53.2
93.83073	2.4
95.04979	6.6
95.08611	35.8
95.27435	2.4
97.02885	14.6
97.06506	11.9
97.10158	2.8
99.04440	7.2
99.08083	5.0
102.96170	2.5
103.05461	2.9
105.01870	10.5
105.07027	52.1
107.08593	41.7
109.02896	16.0
109.06525	8.3
109.10155	45.8
111.08067	10.0
117.07050	11.6
117.07780	2.5
119.08583	35.1
121.06485	3.8
121.10143	64.9
123.08066	6.9
123.11697	5.2
125.09641	9.8
127.03925	21.5
127.07596	3.8
127.11160	2.8
129.07002	2.4
130.07751	4.0
131.08574	20.5
132.29492	2.4
133.10139	21.1
135.08044	2.9
135.11722	12.8
137.09590	7.1
139.11215	3.4
145.04941	8.7
145.10130	40.8
147.04424	5.2
147.11688	19.6
149.09660	4.2
149.13286	9.1
151.11136	8.3
155.10677	4.1
157.10281	3.0
159.02849	12.7
159.11674	36.3
161.13295	20.5
163.11174	7.2
163.14801	2.6
171.11743	2.8
173.13268	6.8
175.03943	5.0
175.14751	5.4
177.12712	3.1
191.17961	3.8
201.16377	40.7
207.06470	7.2
219.17456	24.2
231.05026	4.5
237.18446	7.0
448.93494	2.4
452.55569	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	485.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	10.0
55.01867	6.7
55.05515	14.1
57.03419	4.6
57.07057	2.8
61.02925	4.3
64.13061	2.6
67.05501	24.8
69.03145	2.4
69.03436	27.3
69.07059	17.1
70.06572	10.4
71.04971	6.5
71.08633	2.4
71.53364	3.0
71.53780	4.5
72.08127	5.4
73.02924	3.2
79.05489	26.8
79.41443	2.6
81.03418	22.6
81.06597	5.1
81.07055	100.0
83.04947	9.7
83.08623	6.2
84.08116	2.8
84.86078	2.6
85.02903	37.2
85.06532	5.6
86.09689	5.1
87.00820	17.7
91.05471	22.5
93.06501	3.1
93.07040	46.1
95.04955	9.5
95.08604	41.4
97.02913	17.3
97.03413	3.3
97.06510	8.2
99.04446	9.6
102.98633	2.5
103.05464	4.0
105.01855	8.7
105.03398	6.3
105.07023	41.2
107.04932	2.8
107.08594	40.7
107.87971	2.6
109.02898	17.8
109.06493	11.7
109.10146	37.9
111.08076	7.5
117.01847	3.7
117.07005	7.8
118.43418	2.7
119.04909	3.1
119.08566	33.3
121.06498	4.1
121.09345	3.4
121.10147	57.3
123.04420	3.9
123.08067	9.1
123.11710	12.7
125.09656	6.1
127.03918	26.2
129.01852	3.0
130.07770	3.7
131.08568	17.1
133.10139	28.8
135.04283	3.9
135.11678	12.3
137.05965	3.5
137.09625	5.9
139.11142	3.9
143.08487	6.9
144.09357	3.1
145.04924	9.5
145.10106	41.2
147.04347	3.3
147.08081	3.9
147.11664	13.1
149.09625	5.8
149.13214	7.2
151.11163	8.5
157.10072	6.5
159.02888	6.7
159.11690	26.3
161.09665	4.2
161.13232	19.7
163.11154	12.0
167.03346	2.8
171.11635	3.8
173.13225	7.8
175.14767	6.2
179.10760	3.7
184.07314	9.7
189.16287	3.6
191.17906	4.1
201.16394	34.9
203.03371	11.9
206.04282	2.8
207.06471	3.3
217.05017	3.3
219.17419	20.6
237.14757	6.1
237.18530	8.2
287.07986	4.5
305.24698	3.2
323.09113	4.8
335.09000	8.8
341.19540	2.9
344.63290	3.4
396.84918	2.7
485.14337	9.6
485.20450	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	485.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
55.05500	4.4
61.02904	4.1
65.03943	5.7
67.05503	8.0
69.03423	10.8
69.07063	7.7
70.06606	16.8
71.04998	5.8
71.18535	5.9
79.05493	6.6
81.03405	14.0
81.07072	15.5
83.08613	5.1
84.08126	7.0
85.02907	10.6
86.09701	6.8
91.05482	29.4
93.07038	13.7
95.04979	4.9
95.08601	12.1
97.02875	7.6
105.03361	5.0
105.07037	19.4
107.08580	9.9
109.02875	12.0
109.10173	6.3
119.04919	31.5
119.08575	10.1
121.10114	4.7
123.11675	4.5
125.09685	3.7
127.03880	12.2
131.08539	3.7
132.27493	3.1
133.06390	4.4
133.10115	14.1
135.08028	3.9
143.08623	3.1
145.04880	4.4
145.10129	6.7
147.04399	30.2
147.11684	8.6
151.03828	4.0
159.11673	5.6
175.03923	45.6
203.03412	6.6
207.04575	6.0
207.06535	100.0
208.06673	4.6
219.17421	6.9
237.18414	4.1
347.42734	3.5
351.10782	4.7
424.45563	3.9
485.20010	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	485.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.05499	1.8
56.93764	0.5
57.07064	0.6
59.05004	0.6
67.05511	3.2
69.03423	2.4
69.07055	2.4
70.06577	0.9
70.23258	2.4
71.04993	1.0
73.06560	0.6
79.05501	3.4
81.03440	2.5
81.03832	0.6
81.07065	6.3
83.04977	1.3
83.08607	0.8
84.04498	1.0
85.02891	1.5
85.06569	1.1
86.09715	1.1
91.05488	4.4
93.07048	5.4
94.06563	1.2
95.05002	2.6
95.08610	5.8
96.04501	1.0
97.02886	1.6
97.06517	1.5
99.04468	0.9
99.94149	0.5
103.05436	0.6
105.03397	1.2
105.07034	5.1
107.08596	5.3
109.02866	1.5
109.06503	1.8
109.10172	4.2
111.04485	0.5
111.08086	1.3
112.07570	1.4
115.05453	0.6
117.06960	1.1
119.04941	0.6
119.08578	4.4
121.06497	1.3
121.10148	5.2
122.06012	1.3
123.04436	0.6
123.08046	1.5
123.11701	1.2
127.03916	1.6
128.06204	0.6
129.07001	1.2
130.07774	0.6
131.08578	2.7
133.10138	4.1
135.08043	0.9
135.11690	2.5
137.05992	1.2
137.09639	0.8
137.13258	0.7
139.07632	0.7
139.11302	0.6
140.07069	0.6
143.08571	2.0
145.06407	0.5
145.10126	3.3
147.08029	1.2
147.11717	2.9
149.09618	1.4
149.13202	0.8
150.05519	0.6
151.03999	0.7
151.11096	0.7
153.09177	0.7
155.08546	0.8
157.10178	2.6
159.11725	3.2
161.09637	1.1
161.13272	1.7
163.11177	1.3
166.05040	2.5
167.08627	0.6
168.06573	14.0
169.10165	1.7
171.11691	2.2
173.13214	1.8
175.07520	0.5
175.11212	1.2
175.14833	0.7
177.12709	0.6
177.16322	0.8
180.09471	0.6
181.10146	0.6
183.11687	1.6
185.13245	1.7
187.11133	0.8
187.14801	1.0
189.12813	0.8
191.17879	0.5
195.11694	0.9
197.13316	1.1
198.05365	0.6
199.11180	0.9
199.14775	1.3
200.07285	0.7
200.09203	2.3
201.16408	0.6
202.08723	0.9
203.03467	2.7
203.17906	0.9
205.01273	0.8
205.09979	0.6
205.12256	0.7
207.11691	0.8
209.13319	0.7
211.11209	0.6
211.14867	0.9
213.12759	0.9
213.16347	0.7
215.05800	2.1
216.06631	1.8
219.17433	1.7
221.04301	0.5
225.16360	0.8
227.17969	0.6
228.06621	0.8
230.04434	1.3
230.08098	2.2
231.08929	0.8
231.13664	0.8
237.18542	1.0
241.07359	1.4
242.08072	1.2
243.05304	2.1
243.09422	0.6
244.06056	12.4
245.04672	0.6
245.06706	2.9
247.17139	0.6
251.06987	0.6
256.06165	0.7
257.06580	1.1
258.07626	18.1
259.08365	2.6
270.07550	1.1
271.04825	0.8
272.05579	7.5
273.06329	28.3
286.07117	23.2
287.07895	100.0
288.08673	94.7
289.05856	4.4
289.08875	1.0
323.05731	1.0
323.09152	1.3
327.23236	1.7
381.27948	0.7
395.25784	1.8
413.26917	0.7
449.30408	0.7
453.24445	0.8
467.24268	1.0
467.31451	2.1
485.15549	16.7
485.25620	1.9
485.32578	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	485.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15657	0.4
53.03941	0.8
55.01866	0.4
55.05493	1.7
56.25766	0.4
59.04991	0.5
65.03925	0.6
65.18060	0.4
67.05511	4.1
68.99773	0.4
69.03440	2.5
69.07069	2.6
69.88377	2.3
70.06574	1.1
71.04964	1.2
72.08133	0.7
73.02890	0.5
79.05503	2.3
81.03395	1.9
81.07059	5.3
83.04959	1.3
83.08590	0.8
84.04475	0.7
84.08134	1.0
85.02882	1.6
85.06525	1.6
86.09678	1.5
87.00804	0.5
91.05481	3.4
93.07053	4.5
94.06551	1.3
95.04979	2.3
95.08607	5.2
96.04448	0.5
97.02876	1.2
97.06519	1.5
99.04437	0.7
105.03376	0.8
105.06494	0.4
105.07034	4.4
107.04951	0.9
107.07958	0.7
107.08594	5.7
109.02857	1.7
109.06497	1.6
109.10162	3.6
110.06026	0.4
111.04444	0.6
111.08072	0.7
112.07622	0.9
113.09653	0.4
117.06983	1.2
119.04932	0.6
119.08598	4.8
121.06448	1.0
121.10159	3.4
122.06017	1.4
123.08058	1.4
123.11692	1.6
124.95358	0.5
127.03883	1.6
128.06203	0.5
129.06927	0.5
129.10272	0.5
131.04913	0.5
131.08557	2.4
133.10139	2.9
135.08035	1.5
135.11687	2.2
137.05984	0.8
137.13220	0.4
140.07037	1.0
142.07707	0.5
143.08553	2.0
145.06516	0.7
145.10124	2.3
147.04367	0.5
147.08076	1.0
147.11633	2.0
149.09604	1.0
149.13219	1.0
150.05472	0.9
151.11128	0.8
151.17003	0.4
155.08553	1.0
156.09341	0.8
157.10107	2.0
159.08038	1.0
159.11685	2.8
161.09607	1.2
161.13248	1.4
163.11151	0.9
166.04980	3.5
167.08438	0.5
167.10771	0.5
168.06563	14.5
169.10129	1.1
171.11646	1.4
173.05994	0.6
173.09711	0.9
173.13303	2.2
175.07532	0.8
175.11156	1.2
175.14821	1.1
177.05534	0.5
177.16383	0.7
179.08656	0.4
181.10110	1.0
183.11697	0.7
184.07234	0.6
185.13249	1.1
187.11194	0.7
187.14832	0.5
191.14357	0.6
191.17885	0.5
193.12263	0.5
194.10818	0.5
195.57985	0.4
197.13240	1.0
198.05412	0.5
199.14729	0.7
200.07152	0.7
200.09196	1.5
201.16415	1.0
202.08647	1.1
203.03395	2.5
203.17940	0.6
205.01299	1.0
209.13315	0.6
211.14821	0.9
212.07085	0.8
213.16389	0.5
214.08546	0.6
215.05757	1.9
215.14389	0.5
216.06593	2.1
219.13986	0.6
219.17409	1.3
221.13211	0.7
225.16380	0.6
226.04930	0.5
228.06560	0.8
229.03748	0.7
229.07428	0.5
230.04517	1.3
230.08119	2.8
231.08928	0.5
233.15297	0.7
235.14595	0.5
237.18510	0.6
238.04840	0.6
240.06387	0.9
241.07378	1.1
242.05782	1.0
242.08130	1.5
243.05278	2.1
244.06042	13.7
245.06772	2.9
256.06146	0.8
257.06918	1.1
257.15292	0.8
258.07639	20.5
259.08459	3.0
270.07620	1.7
271.04810	1.3
271.16882	0.5
272.05545	8.7
273.06323	30.4
274.06750	0.9
284.17648	0.6
286.07101	23.4
287.07883	100.0
288.08655	92.5
289.05786	3.3
289.09015	2.2
304.57568	0.5
311.19983	0.7
323.05438	1.9
323.09103	1.1
327.23303	1.3
439.31903	0.7
449.30417	0.8
451.77982	0.5
467.24603	0.4
467.31546	1.7
485.15488	15.3
485.25241	1.7
485.32440	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	485.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	33.9
69.03425	6.2
70.06588	13.2
70.23411	4.1
70.23808	3.6
71.05002	2.2
71.95268	2.8
72.08099	2.0
81.03411	2.3
84.04497	6.2
84.08128	4.7
84.96024	6.5
85.02902	11.6
89.03851	2.5
91.05511	2.4
97.02891	6.9
98.97583	100.0
99.04411	1.9
104.10637	1.7
105.03381	3.9
110.07133	2.3
110.97591	17.5
112.99121	19.2
116.07098	5.4
116.97823	3.9
116.98624	46.8
119.01902	2.8
119.04942	2.3
122.19566	2.3
124.99126	4.8
127.03906	4.0
128.98607	22.2
129.10269	2.2
130.08658	2.3
131.00180	37.7
134.99678	16.0
140.00276	2.1
140.98582	4.6
143.00150	34.2
144.10196	4.5
144.98077	2.2
145.01741	4.4
145.03529	2.9
146.99667	13.8
147.03281	2.4
147.04353	9.4
149.01230	22.0
152.98604	2.3
155.01918	2.2
157.01715	3.9
157.03461	2.7
158.01257	2.6
158.99658	35.4
159.03262	2.7
161.01227	55.7
162.99176	2.7
163.02760	6.4
170.99634	13.2
171.05017	2.8
173.01256	20.5
173.02754	2.7
175.02724	4.8
177.00722	36.3
177.05469	8.6
179.02271	18.6
182.05814	2.4
182.99689	3.5
185.01221	18.0
187.02745	6.2
189.00710	20.5
191.02299	15.1
193.03862	7.0
195.01862	3.3
201.00746	19.1
201.04366	3.2
202.98547	2.2
203.02284	69.5
203.03851	2.9
205.03833	7.6
207.01799	4.9
207.06792	3.9
211.04872	6.7
213.00653	3.2
215.02298	3.4
217.03818	3.6
219.01767	41.5
221.03253	16.7
223.01268	2.4
223.04901	9.5
226.03883	2.8
227.02376	3.2
231.01718	6.6
233.03343	7.6
237.02798	37.8
239.04460	3.4
242.03442	2.8
243.01787	6.4
244.99663	2.8
245.03230	14.1
245.05363	2.6
247.04924	6.9
249.02789	5.8
249.08293	2.9
251.04330	2.4
255.03819	4.4
261.02805	28.2
261.08386	3.3
263.04437	13.1
265.05984	2.4
271.12241	2.3
279.03906	23.0
279.07068	3.3
281.05484	3.0
287.04428	3.4
291.03983	9.8
293.05457	5.8
299.04184	3.3
305.05368	16.5
307.06775	2.6
314.09274	3.1
317.05435	2.6
321.04968	20.4
321.08447	4.2
323.06500	36.4
324.06589	2.8
333.04913	2.6
337.07959	31.0
341.07620	13.7
346.07767	3.6
351.06418	2.1
351.11252	12.9
355.09116	21.4
365.04028	3.1
365.07626	46.5
367.09158	23.8
371.01614	2.0
385.10187	3.9
395.09232	4.7
399.09241	6.4
467.10443	3.1
485.11722	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	17.0
57.07060	10.3
61.36792	3.9
67.05502	27.1
69.07047	16.8
69.85847	19.1
71.04993	4.1
71.38326	3.2
75.02295	3.3
79.05482	9.2
81.07056	42.9
83.04945	4.4
83.08601	5.2
85.06541	26.8
91.05446	14.0
93.07038	39.2
95.08591	17.0
98.20805	4.6
105.07023	24.7
107.08565	10.9
109.10137	9.8
117.06992	5.3
119.08574	23.9
121.06516	7.1
121.10118	8.4
131.04919	8.1
131.08548	6.5
133.06477	4.1
133.10130	10.6
135.04410	10.3
135.11700	15.7
137.13260	8.6
142.07693	4.1
145.06564	5.0
147.04393	13.8
147.08040	5.6
147.11642	5.8
149.05992	10.1
153.05504	3.8
155.08539	4.2
157.10123	6.6
159.04422	6.9
159.11697	9.0
161.05981	10.1
161.13245	38.6
163.03896	8.0
171.07979	3.8
173.05994	12.2
175.03897	100.0
175.07524	7.7
177.05428	13.0
177.09143	3.5
180.04082	7.6
183.08037	4.3
185.09485	3.9
187.03914	24.3
187.07581	9.0
189.05463	12.1
189.09116	7.5
189.12718	4.3
193.04906	8.5
198.06616	5.6
199.03941	8.0
199.07584	3.7
199.93642	3.6
201.05461	5.1
201.09113	8.1
201.89120	3.8
203.03374	5.0
203.10672	5.2
205.04961	5.7
207.10205	7.8
213.05518	4.1
213.09029	5.2
215.06941	6.8
215.10579	6.4
217.08536	6.8
221.11707	5.4
221.15265	4.4
223.07579	7.1
225.09245	8.1
226.06247	10.9
229.04898	11.2
229.08633	22.3
231.02771	19.1
231.10083	15.3
233.04430	12.4
241.08586	47.7
241.12215	4.1
243.10132	22.3
245.08142	6.6
245.11597	9.0
247.09637	37.3
253.08464	6.0
257.08017	9.0
259.09717	26.8
269.07745	4.9
271.09885	4.2
273.14722	10.4
277.10553	5.3
287.16434	6.9
291.15903	5.5
295.13354	29.9
311.16367	14.3
313.14349	42.0
314.68164	4.1
329.17450	9.6
331.15363	15.9
361.17932	6.4
365.20999	7.7
367.22650	5.8
379.19000	23.4
393.20694	4.4
395.22079	8.4
421.27176	8.5
431.25549	7.5
439.28351	7.0
449.26669	9.4
467.55090	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	484.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.5
51.02365	0.8
51.76765	0.4
53.03942	2.2
55.05502	0.4
58.24930	0.4
70.24708	1.6
71.43774	0.4
72.08150	1.2
77.03951	1.7
79.05495	0.6
81.07065	0.6
84.08128	2.4
91.05486	0.6
91.70123	0.4
93.07014	0.5
95.04977	4.2
101.06021	1.1
102.04665	0.8
103.05466	56.5
104.05790	0.4
105.03391	83.7
106.03752	1.2
107.08558	0.6
110.09642	0.5
112.11234	2.4
121.09914	0.3
122.05997	0.9
131.04929	100.0
132.05272	1.3
134.06006	6.5
144.08073	0.6
145.10107	1.0
147.11754	0.5
155.11787	1.7
161.09714	0.3
161.10745	14.3
162.09140	84.8
163.09491	1.3
175.12285	5.6
176.10728	8.1
178.29539	0.5
188.10707	1.4
231.15044	0.5
233.16486	52.4
234.16928	1.0
259.17969	0.5
336.20694	65.0
337.21222	1.9
354.21747	12.4
362.22302	5.8
363.20673	2.6
384.52094	0.5
484.25739	5.0
484.31622	0.7
484.37454	0.5
485.26102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.0
53.03931	3.6
55.05509	2.2
56.63496	1.0
63.93948	1.1
65.05791	0.9
67.05500	1.3
69.71122	2.0
69.71533	4.3
70.06599	1.7
72.08138	2.1
77.03918	2.0
79.05487	1.9
79.30618	1.0
81.03392	1.3
81.07023	2.8
84.08146	10.0
85.02886	1.3
85.64406	0.9
91.05470	3.1
91.23511	0.9
93.07040	1.8
95.04980	6.6
95.08589	1.6
103.05470	24.7
105.03389	95.9
105.06992	2.3
107.08614	1.0
109.06516	1.1
110.09663	1.3
112.11245	6.9
119.08547	2.9
121.10059	1.2
130.06508	1.4
131.04922	100.0
132.05212	1.1
133.10109	1.1
134.06007	4.9
143.08551	1.2
145.10106	1.6
147.04359	1.4
155.11790	3.2
157.10152	1.5
159.11765	1.2
161.10765	5.8
162.09135	32.4
168.10240	1.4
171.67726	0.9
175.12297	5.3
176.10699	16.9
176.12126	1.7
185.13071	1.5
187.12291	17.8
188.10704	67.7
189.11006	1.7
202.12242	1.8
203.03412	2.0
233.16492	16.0
245.06413	1.2
259.18079	15.0
273.05939	1.2
287.09204	1.1
327.23322	1.3
336.20712	16.3
337.19028	6.8
354.21780	9.2
362.22241	75.1
363.22974	2.0
484.14832	2.8
484.25964	8.9
484.37936	2.1
485.32849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
54.11074	1.7
55.01868	4.5
55.05503	6.4
55.79831	1.6
57.03445	2.9
61.02918	4.0
67.05514	10.4
69.03446	11.3
69.07072	26.0
70.06583	5.1
70.23360	7.5
71.05002	4.6
79.05486	7.6
81.03419	9.9
81.07063	23.0
82.07411	2.0
83.04969	3.5
83.08582	2.9
84.08173	2.3
84.21590	1.7
85.02908	28.2
86.09724	2.8
87.00835	3.5
91.03915	1.7
91.05495	13.6
93.07071	12.5
95.04955	3.4
95.08609	15.4
97.02904	12.0
97.10145	1.7
98.06036	2.4
99.04454	4.8
100.26968	1.8
105.03400	4.5
105.07034	11.9
107.04945	7.9
107.08577	7.8
107.41263	1.8
108.08936	1.9
109.02886	9.6
109.06512	5.3
109.10155	20.7
115.05511	2.0
117.07033	2.4
119.04939	2.8
119.08571	8.0
120.08069	2.4
121.02903	2.5
121.06493	5.4
121.10159	9.2
123.04423	4.6
123.08099	2.0
123.11713	13.7
127.03918	13.5
129.07028	3.8
131.08554	6.1
133.06487	5.1
133.10147	4.9
135.04417	5.6
135.08031	3.3
135.11697	4.0
137.05956	5.6
137.09572	1.7
143.08569	7.3
145.04962	8.6
145.06473	8.6
145.10135	11.6
146.10461	1.7
147.04381	4.2
147.08069	4.1
147.11693	3.6
149.05969	5.0
151.11157	2.0
155.08533	3.5
157.06499	7.9
157.10159	8.4
159.02858	2.4
159.08067	7.2
159.11720	7.8
161.06004	7.3
161.09534	2.3
163.03912	3.6
163.07552	5.1
165.05498	49.1
171.08072	8.7
173.05949	1.8
173.09601	8.1
173.13277	2.9
175.07544	1.9
175.11325	2.0
177.05476	6.9
177.09094	2.9
179.07089	2.5
180.08736	5.0
181.04979	21.7
183.08128	1.8
184.07358	5.3
185.09622	19.8
187.07562	3.8
189.09045	3.1
191.07047	12.1
191.10675	2.4
193.08612	2.1
195.06615	2.3
199.07506	5.4
199.11217	6.2
199.14902	2.7
201.09103	4.3
201.16365	4.1
203.03439	4.2
203.07018	2.5
205.08597	15.8
213.09096	4.8
217.08578	8.5
217.15785	2.2
218.16179	2.5
219.10181	14.0
231.10109	19.0
237.18423	2.2
241.15884	36.2
259.16901	2.4
269.15359	14.4
287.16452	100.0
288.16879	2.5
338.11060	3.4
484.15662	2.6
484.31198	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	484.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52797	1.0
55.05514	1.4
57.07070	2.0
65.03938	5.5
67.05501	22.3
69.03418	2.7
69.07036	1.2
70.06581	3.8
70.73673	3.6
71.04996	1.2
79.05481	1.5
81.03416	2.5
81.07087	2.7
83.04991	1.7
84.04533	1.2
85.02892	4.3
85.06544	10.1
86.09681	2.6
91.05481	4.2
93.07037	2.2
95.08613	3.1
100.11244	2.2
105.03369	1.3
105.07032	1.7
119.08556	1.5
121.02851	1.4
131.04916	1.9
142.40999	1.0
145.02809	3.2
147.04390	9.6
157.02866	2.3
159.04402	1.8
160.12082	1.5
173.02335	10.2
175.03902	6.1
175.06267	1.4
177.05446	2.5
184.07324	1.5
185.02333	1.7
190.08594	3.2
199.03880	3.7
199.07524	3.2
201.01820	16.5
202.02554	2.4
203.03397	100.0
204.03636	1.7
207.06541	2.3
215.03300	1.2
217.15858	1.2
218.08195	1.4
227.07019	5.5
241.08543	5.7
243.06401	2.2
269.08102	31.9
287.09137	49.5
288.09512	1.9
305.10303	1.6
484.18237	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
53.03941	3.7
55.01875	0.6
55.05501	0.8
57.03424	0.8
61.68520	0.4
67.05492	1.4
68.99049	0.4
69.03424	3.9
69.07074	0.9
69.90810	2.2
70.06597	2.7
71.04972	1.7
72.08145	0.8
73.02919	0.5
77.03922	1.0
79.05495	3.3
81.03415	6.7
81.07053	1.8
83.04945	0.8
84.04480	0.6
84.08121	0.5
85.02905	5.0
86.09675	0.9
91.05455	1.3
93.07037	1.3
95.04961	8.3
95.08611	1.0
97.02876	3.6
98.06073	0.6
98.21403	0.9
99.04462	1.8
101.02363	0.7
103.96378	0.5
105.03389	86.1
105.04537	2.4
105.07011	1.4
106.03687	1.3
107.08607	1.1
109.02867	3.6
109.10167	0.9
116.07144	0.5
118.06409	0.5
119.04931	0.8
119.08582	1.4
120.08086	0.7
121.10146	1.3
123.04422	3.8
123.08070	0.5
123.11724	0.6
127.03915	2.5
130.06508	0.7
131.07336	0.9
131.08549	0.4
132.08080	0.7
133.10124	0.9
135.04398	1.5
135.07964	0.5
137.09561	0.4
139.03873	0.5
144.06639	0.8
144.08067	0.8
145.10150	0.7
146.09589	0.8
158.09532	0.5
159.06804	4.3
159.11731	0.8
159.22249	0.5
160.07562	1.2
163.03891	0.9
164.04349	0.8
172.07596	0.9
172.11198	0.8
173.08362	2.2
174.09134	24.4
174.39851	0.5
175.04073	0.7
175.09540	0.6
181.04918	4.0
182.05328	2.0
184.07520	1.0
186.09113	2.2
188.10663	0.9
198.09167	2.0
200.10704	14.0
201.16469	0.5
203.03389	16.4
207.06651	0.6
210.09160	0.7
216.10165	2.2
217.15645	0.6
218.11754	42.0
219.12119	1.1
221.04433	2.6
228.10172	5.2
230.11639	0.8
236.17337	0.5
239.09373	0.6
242.11797	0.6
249.07541	1.8
260.12866	2.0
266.11798	0.6
270.09705	0.6
304.16263	0.6
308.12680	0.8
322.08115	1.1
323.09079	3.7
326.14142	0.7
440.17047	3.7
466.18610	1.9
484.19659	100.0
485.13705	2.9
485.20483	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	483.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
54.67543	3.2
55.01883	4.1
55.05510	23.0
57.03435	4.7
57.07075	22.8
67.05501	20.7
68.20125	2.9
69.03404	10.6
69.07061	29.2
69.60537	2.9
71.08614	3.5
71.53397	3.2
79.05502	29.8
81.03405	12.2
81.06605	3.6
81.07052	52.5
83.04960	6.5
83.08627	15.8
85.06541	11.1
86.38671	3.2
91.05474	46.1
93.07036	51.5
95.04944	14.4
95.08611	47.2
97.06504	5.5
97.10161	9.4
98.98456	9.1
105.07026	53.9
107.04941	5.2
107.08588	48.7
109.06492	11.4
109.10131	24.6
111.11695	3.4
117.07017	20.6
119.08580	68.1
121.06488	12.4
121.10153	46.3
123.08077	6.9
123.11701	18.7
128.06245	6.1
129.07002	12.4
129.37917	3.2
130.07767	4.8
131.08543	37.3
133.06535	3.8
133.10118	51.1
135.08037	8.4
135.11667	29.0
137.09584	11.4
137.13261	6.7
139.07483	4.6
141.07040	5.6
142.07915	4.8
143.08531	23.0
145.10104	50.6
147.08057	7.7
147.11674	30.0
149.09596	6.5
149.13211	7.6
151.11139	7.1
155.08510	10.6
157.10120	26.3
158.06024	4.1
159.08047	7.4
159.11673	34.2
159.45190	3.4
161.09598	41.7
161.13261	14.2
163.11142	5.6
167.08578	4.0
169.10075	8.3
171.11688	19.6
173.09647	21.7
173.13290	27.6
175.11171	17.7
175.14813	17.5
177.12755	7.1
177.16339	6.8
181.10129	6.0
183.11687	18.4
183.36618	3.1
185.13248	18.9
187.14781	16.3
189.12746	8.2
189.16380	13.6
193.10291	3.8
195.11710	6.2
197.13255	9.9
199.11145	4.2
199.14842	13.6
200.10706	13.2
200.15640	9.9
201.12756	16.1
201.16406	13.9
203.14258	6.0
203.17947	7.3
209.13237	9.0
211.14839	5.9
213.16402	7.0
215.14429	6.2
215.17941	14.8
217.15878	11.1
221.13257	6.0
223.14755	8.5
225.16290	6.0
227.14299	13.2
227.17955	6.9
229.19507	5.6
235.14857	8.5
241.15872	7.2
243.17261	4.2
243.21359	3.8
245.15317	10.6
249.16504	4.2
251.17993	4.1
255.17282	5.0
255.21040	4.4
267.17349	5.5
277.19760	4.2
279.21024	3.5
281.22437	4.2
293.19232	4.5
295.24136	5.2
311.25766	44.2
319.24072	13.4
335.27371	6.6
337.25198	20.6
345.25653	10.3
353.28323	7.7
363.26816	52.4
364.27078	5.5
381.27866	59.0
439.32141	39.4
465.33551	13.3
483.34912	100.0
484.35181	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	483.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.05516	3.6
57.03428	0.6
57.07053	1.2
59.04974	2.3
67.05508	3.8
69.03400	1.7
69.07066	3.7
70.06556	1.0
70.51697	1.5
71.04961	1.9
71.08575	0.5
73.06550	0.6
79.05490	3.1
81.03410	0.6
81.06652	0.6
81.07055	5.9
83.04940	1.6
83.08595	1.9
85.02886	1.2
85.06499	1.8
91.05478	4.5
91.23257	0.5
93.06583	0.5
93.07040	6.6
95.04961	3.0
95.08600	4.8
97.06506	2.0
99.04414	1.3
103.05442	1.5
105.07024	8.7
107.04949	1.4
107.08594	6.6
109.06512	2.8
109.10170	2.6
111.08051	1.9
115.05437	0.9
117.07005	2.5
119.08572	7.2
121.06464	2.3
121.10136	4.2
123.08006	1.5
123.11691	0.8
125.05965	0.5
127.07515	0.7
128.06169	1.2
129.06972	2.0
131.04898	1.0
131.08551	6.3
132.05243	0.5
133.10120	6.1
135.08038	1.5
135.11658	1.9
137.05951	0.7
137.09630	0.8
139.07524	2.8
141.06955	1.0
142.07736	1.6
143.08554	5.3
145.10115	6.4
147.04367	0.8
147.08000	1.5
147.11705	4.6
149.06030	0.8
149.09572	1.4
149.13235	0.7
151.11163	0.7
155.08545	3.0
156.09341	1.7
157.10126	8.3
159.08009	1.0
159.11693	6.0
161.05975	0.6
161.09607	2.2
161.13237	1.5
163.11154	1.0
165.06938	0.8
167.08568	0.8
167.10658	0.7
168.09358	0.7
169.10123	3.7
170.10886	1.3
171.11681	7.1
173.04585	0.5
173.06038	0.6
173.09627	1.8
173.13295	3.7
175.11174	1.0
175.14789	1.3
176.04524	0.6
177.05328	1.1
177.12762	0.9
179.08478	1.1
179.10646	0.8
181.10104	2.6
181.12180	0.8
182.10907	1.3
183.11693	4.3
184.12437	0.6
185.09714	1.0
185.13284	4.8
186.05588	0.5
187.05783	0.5
187.11142	1.2
187.14786	2.2
189.09169	0.8
189.12708	1.4
191.07047	0.8
191.10696	0.9
192.07594	0.8
193.08286	0.6
193.10101	1.8
193.12219	0.7
194.10745	0.6
195.11649	3.4
196.12408	0.6
197.13266	3.8
199.11122	0.8
199.14790	3.5
201.04179	6.2
201.12720	0.9
201.16275	0.7
202.04549	6.0
203.10582	0.7
203.14366	1.0
207.11662	2.2
207.13634	0.8
208.12579	0.7
209.11569	0.7
209.13254	3.7
210.13947	0.7
211.11244	0.7
211.14763	3.0
213.12697	1.1
213.16322	1.5
215.05521	1.2
215.14195	1.1
216.06415	2.6
217.06927	1.7
217.12265	1.1
219.11798	0.7
219.13831	0.8
220.12486	0.7
221.13327	2.6
222.14168	0.6
223.14824	2.3
225.12738	0.6
225.16385	1.9
227.14279	0.9
229.03641	4.7
229.07089	1.2
230.04074	4.3
230.07785	0.9
231.05103	1.3
231.13803	1.8
232.05635	1.1
233.13287	1.1
233.15288	1.1
234.48079	0.5
235.14725	1.8
237.12695	0.8
237.16345	1.7
239.17993	1.9
244.06046	78.3
245.06378	81.0
246.06631	4.0
247.14793	1.2
247.17023	0.6
249.16412	1.7
251.14337	0.9
251.18050	1.2
253.19403	0.9
257.06650	0.9
257.15445	0.6
258.07532	5.4
259.07947	8.1
260.15561	0.5
261.16257	0.8
263.17935	1.2
265.15848	0.8
265.19592	0.9
270.07526	1.1
271.07968	1.5
271.16995	0.8
272.05524	65.6
273.05878	87.1
274.06580	15.3
275.07358	5.4
275.14346	0.6
279.17554	0.6
283.16980	0.8
286.07098	4.3
287.07431	5.8
291.17349	0.6
291.20987	0.8
299.20370	0.6
305.19009	0.7
305.22635	0.9
307.20468	0.8
309.22131	1.1
311.07520	0.6
323.20123	1.0
325.21579	1.6
327.23279	0.9
333.22015	0.7
341.21136	0.6
347.23605	0.8
351.23215	1.1
365.24783	2.6
375.23160	1.8
379.15216	0.6
379.26511	2.5
393.24246	1.5
397.27545	3.4
405.27957	2.1
407.25681	0.7
411.13110	0.7
411.25375	1.6
419.29803	0.7
421.11447	0.6
423.28842	4.2
425.26694	2.8
437.30646	1.0
447.28790	2.2
453.13821	1.7
465.13705	9.6
465.30200	5.8
466.14008	1.2
483.14777	100.0
483.30832	12.8
484.14987	9.7
484.30356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.7
55.05517	17.6
57.07069	6.2
58.23088	3.2
64.38434	3.0
67.05511	23.5
69.03413	8.8
69.07067	21.0
69.21011	29.8
71.04976	8.4
79.05499	32.1
81.03425	3.5
81.07063	55.4
83.04970	12.2
83.08632	6.1
84.77210	2.8
85.06531	9.7
91.05484	46.2
93.06483	5.2
93.07047	80.4
95.04970	19.3
95.08611	41.1
97.06532	11.5
98.20800	6.2
99.08092	4.3
103.05532	3.5
105.06390	5.4
105.07034	61.9
107.04948	5.6
107.08599	56.6
109.06524	32.0
109.10115	18.1
111.08083	13.0
115.05473	5.4
117.07021	19.9
119.08581	71.8
121.06519	16.5
121.10144	37.1
123.08060	18.0
123.11658	5.6
128.06190	8.9
129.07037	16.4
130.07782	3.3
131.08583	42.4
133.06586	6.7
133.10138	50.6
135.08092	22.5
135.11684	14.9
137.09584	7.7
139.07526	3.6
139.11281	3.6
141.07019	4.4
142.07741	17.6
143.08575	44.5
144.09319	7.2
145.06453	3.6
145.10146	62.6
147.08040	7.7
147.11687	35.5
149.09625	16.1
149.13248	4.9
151.07530	3.9
151.11194	6.0
153.07031	4.3
153.09055	5.0
155.08562	21.9
156.09340	12.7
157.10132	65.4
158.10912	5.0
159.08032	7.9
159.11693	45.2
161.09666	17.4
161.13226	16.9
163.07532	4.8
163.11153	18.8
165.12753	12.6
167.08568	7.9
168.09361	3.7
169.10132	37.8
170.10927	8.9
171.08023	6.5
171.11694	42.3
173.09624	12.8
173.13249	27.2
175.11151	9.9
175.14861	6.7
177.09181	5.3
177.12720	7.2
179.08556	7.9
179.10733	7.5
181.10110	10.0
181.12238	8.3
183.11720	34.0
185.09627	5.6
185.13264	36.9
187.11259	14.7
187.14850	17.6
189.09116	4.1
189.12753	9.2
189.16342	4.0
191.10689	8.3
192.09337	6.3
193.10149	9.4
193.12166	5.0
195.11734	18.2
196.12473	4.1
197.09657	3.3
197.13252	26.1
199.11259	7.5
199.14798	19.6
201.12738	9.2
201.16365	6.3
203.10739	9.6
203.14328	6.8
205.12245	6.7
206.10869	6.5
207.11714	10.1
207.13696	6.9
208.12468	3.8
209.13304	22.1
210.13953	4.3
211.11133	5.4
211.14822	14.7
213.12746	10.6
213.16402	14.0
215.14355	7.0
217.12241	5.2
219.11778	6.2
219.13824	7.2
221.13246	11.7
221.15308	4.8
223.14830	19.3
225.16350	10.9
227.10712	3.5
227.14331	6.5
227.17909	4.4
229.12315	5.0
229.15781	6.8
231.11696	3.9
231.13724	10.7
233.13277	6.4
233.15385	5.0
235.14806	11.1
237.12851	3.4
237.16394	9.7
239.14240	4.2
239.17973	6.2
241.15881	4.6
243.13846	7.1
243.17461	8.9
245.13187	4.4
245.15349	18.7
247.14842	4.6
247.17047	4.2
249.16405	10.1
251.14421	4.1
251.18021	4.3
253.12367	3.8
253.15752	3.1
255.17601	3.7
257.19037	4.6
259.17099	6.2
261.06219	3.3
261.16391	4.2
263.17984	8.1
265.15848	4.9
265.19171	3.7
267.17334	4.0
269.15424	6.1
269.18710	3.7
271.16833	5.0
279.17575	4.1
281.15695	4.1
281.18994	5.8
283.17041	5.7
285.18454	6.8
287.20035	3.5
295.17044	4.0
301.17932	5.2
305.18982	4.0
307.20419	3.1
309.18402	3.8
309.21994	3.7
321.22025	5.9
323.20123	3.6
325.21692	14.6
333.22137	8.0
341.21057	3.6
343.22995	5.6
347.23843	9.0
351.19336	4.4
351.23193	9.4
353.24789	4.9
363.23489	4.2
365.24765	10.2
367.22543	5.5
375.22900	6.2
383.25739	9.6
393.24228	22.6
405.27893	6.0
411.25339	70.1
412.25629	4.9
419.29840	3.7
423.28894	8.5
429.27823	6.2
437.30588	7.8
447.28964	16.5
465.30072	42.9
466.29779	3.7
483.31085	100.0
484.31210	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	483.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.9
66.78762	0.3
69.03439	0.5
77.03956	0.5
79.05490	0.5
81.07054	0.9
83.04962	0.4
83.99023	0.4
86.09663	0.4
91.05482	0.7
105.03407	0.6
105.07034	0.9
118.06513	1.1
119.08599	0.5
120.04454	1.6
120.29978	0.4
129.07011	0.5
130.06535	6.4
132.04460	4.2
142.07739	0.5
143.07301	0.7
144.08067	1.5
144.92786	0.4
145.10124	0.6
146.05960	3.2
155.08571	0.5
156.08093	0.6
157.08864	1.6
158.06012	26.0
158.09534	0.8
159.06654	0.8
160.07568	0.5
167.07283	3.3
168.08101	1.7
170.05992	0.7
171.06772	0.5
172.07570	2.1
172.11259	3.2
180.08034	0.7
181.08849	17.4
182.09660	9.8
183.10365	0.5
184.07582	2.1
184.11246	0.6
185.08286	0.4
185.13303	0.5
194.09631	0.9
195.10371	0.8
196.11218	15.5
197.11555	0.7
200.10706	100.0
201.11041	2.5
210.12807	1.5
220.11172	0.6
224.10695	1.6
236.14319	0.8
238.15857	1.7
262.15790	0.5
266.15414	6.7
273.10229	6.7
284.16367	2.0
325.13467	0.5
343.14542	1.4
361.15451	0.5
378.65427	0.4
395.21121	2.1
423.21127	0.6
465.25214	1.3
483.26004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.5
53.36885	4.8
55.01852	5.6
55.05502	20.4
57.07064	5.7
61.02908	7.1
62.73886	4.5
67.05498	31.5
69.03437	31.5
69.07072	23.0
70.06597	12.3
70.77765	6.0
70.78098	10.5
71.04986	21.8
72.08147	8.1
79.05476	30.9
81.03411	17.6
81.07059	44.8
83.04977	15.7
83.08620	12.7
84.04463	6.0
85.02889	18.0
85.06541	12.6
91.05470	39.4
93.07038	56.0
95.04958	48.1
95.08595	46.0
97.02884	13.3
97.06546	31.3
97.10196	6.3
98.78398	5.4
99.04443	12.5
105.01838	6.8
105.03365	7.1
105.07026	54.6
106.07352	5.5
107.04957	8.9
107.08593	58.1
109.02866	13.9
109.06506	29.3
109.10143	29.8
111.08093	12.8
117.07024	18.9
119.08575	62.4
121.02875	11.6
121.06499	15.8
121.10157	36.6
123.08064	20.2
123.11700	14.4
127.03937	14.3
129.07001	14.6
131.08569	43.1
133.10152	57.3
135.08051	14.2
135.11673	19.2
136.07469	5.7
137.09621	11.4
139.07549	33.2
141.06955	9.1
141.09084	7.9
142.07756	14.8
143.08539	31.5
145.06372	5.6
145.10118	55.8
147.08052	14.4
147.11678	39.0
149.09625	18.7
149.13274	10.3
151.07527	6.4
151.11197	7.0
153.06915	5.9
153.09116	7.7
155.08528	15.0
156.09320	17.4
156.13731	8.2
157.10107	59.1
159.08011	9.1
159.11722	45.9
161.09610	15.3
161.13275	13.9
163.11143	9.8
165.09111	12.9
167.07098	9.4
167.08504	6.2
167.10667	12.0
168.06458	5.7
169.10121	28.5
170.10976	7.9
171.08046	6.3
171.11679	50.9
173.09637	11.2
173.13300	27.3
175.11177	13.4
177.09129	9.1
177.12762	7.4
179.08499	6.5
179.10696	7.9
181.10133	18.1
183.11661	29.8
185.13251	37.5
187.14809	16.4
189.16380	8.9
191.10638	9.2
193.12196	7.1
195.11707	19.9
197.13263	21.5
199.11139	7.3
199.14871	23.2
201.12772	9.2
201.16400	9.6
203.03354	6.3
203.10541	5.7
203.14351	7.1
207.06529	6.7
207.11606	13.2
209.11551	24.7
209.13289	18.2
211.11095	5.9
211.14813	14.4
213.12775	12.0
213.16394	11.9
215.10663	6.8
215.14426	6.2
217.15887	24.2
219.11795	6.8
219.13939	8.6
221.13338	11.1
223.14886	12.4
225.12614	8.6
225.16406	11.4
227.17906	9.5
231.13834	22.1
233.13295	8.1
233.15427	13.8
235.14786	11.2
235.16922	11.3
237.16408	10.5
241.15948	7.7
245.15520	7.6
247.14787	7.6
249.16422	6.4
251.17888	6.8
257.15436	10.6
259.16907	6.5
269.15488	6.2
269.18985	7.7
273.18655	6.4
285.18396	8.7
287.20154	12.5
309.22043	5.9
321.07788	12.5
325.21744	10.3
333.22089	5.9
351.23199	8.5
358.18958	5.8
365.24673	8.1
369.24316	10.3
375.23160	8.8
379.26379	6.4
393.24210	11.9
397.27368	11.1
405.27829	5.5
411.25186	42.8
423.28894	14.3
437.30627	6.3
447.29102	23.2
465.30093	51.8
483.15536	7.6
483.31158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.9
62.28573	0.3
71.18552	0.7
71.18892	0.6
81.07042	0.5
83.04974	0.7
91.55907	0.3
105.03418	0.5
118.06548	1.3
120.04468	1.5
129.07036	0.5
129.42767	0.3
130.06531	8.1
132.04442	3.6
133.10121	0.5
135.11737	0.8
143.07336	0.9
144.08090	0.9
146.06026	3.4
154.06494	0.4
155.47659	0.4
157.08946	1.6
158.06018	25.7
158.09644	1.2
159.06682	0.8
161.06030	0.4
167.07315	3.0
168.08087	2.1
170.05946	0.7
172.07556	1.7
172.11205	3.4
180.08080	0.9
181.08868	16.0
181.10477	0.8
182.09650	8.4
183.10359	0.5
184.07570	2.1
185.08340	0.5
194.09708	0.8
195.10477	0.7
196.11203	15.1
197.11491	0.4
200.10709	100.0
201.11032	2.5
209.08307	0.5
210.12746	0.7
218.09529	0.6
224.10730	2.4
232.11298	0.5
236.14349	0.7
238.15968	1.8
248.14366	0.6
252.61951	0.4
266.15393	9.0
273.10211	4.6
284.16428	1.9
301.09802	0.4
325.13287	0.5
333.61115	0.4
343.14343	1.7
361.15518	0.7
395.21143	1.3
465.25589	2.7
483.26309	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	4.4
87.53242	0.7
88.65519	0.8
98.96949	0.8
98.97578	14.9
116.97855	0.9
116.98618	14.6
134.99669	11.2
137.93211	0.6
153.00699	1.7
158.01265	1.3
174.97652	3.5
187.47888	0.7
190.95380	2.1
192.98752	4.8
196.94617	0.7
208.96623	1.1
214.95569	2.7
216.98683	2.5
219.02061	1.0
232.96631	12.4
233.96817	0.7
234.99788	7.5
238.95680	1.3
240.98813	0.7
250.97754	16.6
251.97827	0.9
252.97678	0.7
256.96637	16.0
257.96777	0.9
258.99878	7.1
260.00021	1.6
261.02988	1.8
268.98868	0.9
274.97723	66.4
275.97849	3.8
276.97537	1.9
277.00803	9.5
278.01086	2.0
279.00757	2.0
280.96643	3.3
282.99939	6.6
284.00018	1.1
284.99777	0.8
290.95517	1.4
292.95468	1.1
292.98740	19.4
293.98825	1.5
297.99246	2.7
298.97736	50.1
299.97791	3.2
300.97955	1.0
301.01038	14.8
302.01132	1.7
303.00803	1.7
316.98798	100.0
317.98886	6.3
318.98749	1.9
319.02121	0.9
332.96613	1.7
334.99969	4.0
340.00333	5.9
340.99158	2.3
348.17923	0.8
358.99829	5.6
374.97891	3.4
375.97852	1.5
380.96857	1.7
383.42819	0.7
398.98093	3.3
401.01151	1.8
416.98926	11.0
417.99182	1.2
422.97745	6.2
425.01242	1.5
440.00635	1.5
440.98904	60.2
441.98947	6.1
443.02039	2.6
444.02576	1.1
458.99969	96.4
460.00113	9.6
461.00058	2.1
477.00870	2.1
481.95227	1.0
482.01651	12.0
483.01187	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	482.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01871	1.5
55.05504	3.0
57.03418	3.3
59.05039	1.2
61.02919	3.5
62.74208	0.9
67.05510	4.0
69.03425	9.8
69.74445	5.2
70.06580	3.0
71.04986	3.2
72.04533	1.0
72.08140	0.8
73.02917	1.6
81.03416	5.4
81.07052	1.1
83.04972	3.2
84.04478	0.8
84.08154	1.8
85.02906	25.2
85.06528	3.2
86.09682	1.6
90.05551	2.0
91.03958	1.7
91.05470	0.9
97.02890	9.8
99.04436	3.2
109.02849	3.6
110.07138	1.4
113.07080	1.4
115.05415	1.4
125.05943	0.9
127.03933	6.9
130.06523	13.6
131.07329	0.9
132.08093	1.8
137.05988	1.2
142.06523	22.8
143.07304	7.0
144.08093	18.2
145.04961	3.4
154.06581	1.3
155.07182	1.0
156.08127	6.9
157.05193	1.3
158.06052	1.0
160.07607	7.1
167.07269	5.2
168.08110	6.3
169.08865	6.5
170.06020	2.9
170.09644	3.4
172.07567	19.4
172.11040	1.4
179.10654	0.9
180.08104	2.4
181.08858	36.7
182.09660	23.8
183.10428	4.9
184.07671	1.2
184.11218	26.7
186.09183	1.3
188.06981	0.9
190.10890	1.0
193.08757	1.0
194.09637	9.2
195.06468	0.9
195.10373	4.2
196.11209	25.9
197.08362	1.7
197.11766	2.0
198.12860	1.3
200.10652	2.1
201.11494	1.1
202.08566	0.8
202.12270	6.9
208.11246	2.7
210.12756	1.5
212.10698	59.8
213.11148	1.5
214.12265	100.0
215.12544	2.7
216.12254	1.3
220.11592	2.5
222.12811	1.7
224.10724	3.4
226.12219	3.8
227.12975	1.6
228.13792	3.1
230.11774	16.6
232.13342	25.8
234.13287	1.6
235.13530	1.0
236.10641	1.1
236.14322	2.6
238.15895	4.5
240.13869	1.1
242.11771	19.7
244.13353	4.5
248.14290	1.1
250.15927	1.2
254.11633	2.1
254.15407	8.5
256.13144	1.1
256.16968	15.3
262.14392	7.1
266.15417	16.3
267.16034	0.9
268.16898	6.0
272.13339	1.3
272.16437	6.0
274.17914	2.3
284.16437	36.0
284.19598	1.8
285.16830	1.4
286.17984	3.0
302.06622	1.0
302.17499	53.0
303.17776	1.7
304.18982	1.4
320.07828	1.2
320.15057	1.6
320.18561	17.8
326.17435	1.7
344.18588	3.8
362.19669	1.2
374.15878	1.2
392.17224	1.4
428.21188	0.9
444.66034	0.9
446.21518	4.3
464.22885	9.1
482.24243	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.0
55.01875	2.7
55.05500	4.2
57.03421	5.8
59.04998	1.8
60.04530	1.8
61.02930	7.2
67.05490	5.8
68.05014	2.0
69.03095	1.7
69.03434	26.3
69.07064	2.5
69.49355	7.6
69.49760	4.0
70.06596	17.4
71.04990	4.3
72.04505	3.3
72.08137	4.3
73.02927	7.2
79.05489	2.5
81.03414	10.6
81.07045	5.2
83.04967	5.0
84.04487	2.6
84.08134	5.2
85.02907	44.4
85.06526	4.9
86.09714	8.2
87.04461	5.5
90.05561	2.7
91.03979	3.6
91.05463	5.9
93.07036	3.2
95.04951	3.5
95.08607	4.2
97.02898	17.4
97.06524	1.9
98.20807	2.9
99.04433	4.5
100.20640	1.5
105.03388	10.5
105.07029	2.9
107.04937	2.1
107.08653	2.4
109.02888	10.2
109.06463	1.6
110.07182	4.5
112.07590	1.6
114.05479	2.1
115.23730	1.5
119.04943	5.2
119.08586	3.1
120.08110	3.1
121.02902	2.2
121.10143	3.2
123.04463	2.0
123.08073	1.7
124.07588	1.9
125.09624	1.8
127.03951	13.8
128.07079	1.8
129.10251	3.2
130.06535	10.2
132.08037	2.3
133.06517	1.7
133.10106	1.7
142.06487	9.0
143.07254	3.4
143.08408	1.8
144.08067	13.1
145.04926	4.8
146.06047	3.4
147.04355	10.5
154.06555	2.1
155.07262	2.1
156.08011	5.2
157.08778	1.7
159.08003	1.9
160.07599	5.7
163.03894	1.7
167.07243	4.9
168.08041	11.2
169.08853	5.4
170.09654	3.0
172.07570	31.2
175.03851	3.0
177.05548	2.3
180.08156	1.7
181.08853	29.2
181.12250	2.7
182.09662	26.0
183.10472	7.8
184.11212	23.1
186.09218	3.0
194.09628	7.5
195.10390	3.1
196.11212	27.4
197.11888	1.6
198.12793	27.8
199.13292	3.0
200.10715	4.2
201.11482	2.5
202.12265	20.5
206.09755	2.2
207.06512	2.9
207.10497	1.7
208.11217	6.1
210.12814	2.4
211.09995	1.7
211.30194	1.6
212.10683	21.9
214.12274	61.9
214.14354	3.6
216.10271	2.0
219.06465	2.4
220.11458	2.2
221.11916	2.4
222.12666	2.4
223.13562	1.8
224.10704	2.9
226.12285	35.9
226.14316	2.7
227.12920	4.0
228.13817	5.5
230.08093	1.7
230.11745	7.7
232.13246	3.1
234.02200	2.3
236.14420	8.7
238.15858	5.4
242.11830	12.1
244.13353	100.0
245.13716	2.7
248.14302	2.1
254.15410	24.1
256.13358	1.7
256.16998	13.0
258.07626	2.6
259.04907	1.5
260.05658	2.6
262.14429	2.2
266.15414	18.1
272.16461	6.4
274.07150	2.4
281.04474	2.5
284.16446	81.3
285.16870	4.1
302.06583	12.5
302.17493	49.4
320.07828	8.6
320.18484	16.1
326.17587	2.3
376.17581	15.0
387.08511	4.7
404.16898	2.7
405.09756	2.9
406.18591	48.1
407.18744	2.1
416.20596	4.6
428.20593	2.1
446.21689	7.6
447.10406	2.8
464.22775	20.1
482.24091	3.3
483.14331	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	482.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28391	1.7
53.03936	1.9
55.01854	2.0
55.05499	5.1
57.03433	5.1
61.02911	3.3
67.05486	6.5
69.03431	14.1
69.07056	4.5
70.06596	14.4
71.01355	2.0
71.04985	4.8
71.53671	2.8
73.02899	2.2
79.05486	4.4
81.03400	8.1
81.07072	7.5
83.04972	6.6
83.08629	1.8
84.08130	3.5
85.02907	23.9
85.06533	3.4
86.09695	5.4
87.04438	2.0
91.05474	5.7
93.07040	5.4
95.04961	3.3
95.08575	4.2
97.02893	7.7
97.06532	3.3
99.04446	3.9
105.03389	6.4
105.07043	4.7
107.04919	1.8
107.08588	3.5
108.08135	2.0
109.02859	5.8
109.10146	3.9
115.03931	1.9
117.07009	2.3
119.08576	3.7
120.08115	4.9
121.06486	2.7
121.10165	3.0
123.08035	2.1
124.07549	3.0
127.03899	9.4
129.07021	2.6
130.06526	11.6
131.08592	2.9
133.06445	1.8
133.10120	3.4
135.11655	1.9
136.07516	1.9
137.05974	2.0
139.76485	1.6
142.06528	19.3
143.07272	6.2
143.08351	1.7
144.07002	2.8
144.08072	31.7
145.04936	2.8
145.10133	4.4
146.06036	3.6
147.11610	1.8
149.05937	1.8
149.09665	1.8
156.08081	20.7
157.08684	1.9
157.10083	2.0
158.06024	2.6
159.02948	2.1
159.11667	2.6
160.07578	5.4
161.09579	1.8
163.03900	2.2
167.07265	4.3
168.08113	8.5
169.08864	5.7
170.06007	6.8
170.09657	5.6
172.07579	7.2
172.11147	2.2
174.09184	2.0
175.03767	1.7
180.08087	3.2
181.04913	1.8
181.08856	41.0
181.10455	2.1
182.09647	14.9
183.10382	7.1
184.07539	4.7
184.11217	34.9
194.09634	9.4
195.10408	5.6
196.07536	3.7
196.11224	33.8
197.08377	2.6
198.09174	3.4
198.12834	2.6
200.10687	2.4
201.11465	2.9
202.12256	5.3
208.11053	1.8
209.08212	1.8
210.12813	3.6
212.10703	67.6
214.12257	100.0
216.10126	1.7
217.15930	3.4
224.10658	11.2
224.57646	1.8
226.12274	2.9
227.13098	2.2
228.13789	5.3
230.11754	49.9
230.13966	3.6
232.13310	15.1
234.12184	2.7
236.10608	2.9
238.12311	3.1
238.15930	4.1
242.11763	52.9
244.13290	2.5
253.14317	1.6
254.11726	4.7
254.15445	3.5
256.13480	3.2
256.16953	20.9
266.12430	2.3
266.15341	16.2
272.12823	2.3
284.13446	2.6
284.16425	70.7
285.16864	3.7
294.14655	1.7
298.18311	2.2
302.17511	97.2
303.17606	2.4
308.16434	3.8
320.18579	83.3
321.07669	2.3
321.18839	2.1
326.17435	9.1
344.18423	3.9
350.17624	2.5
356.14987	2.6
358.16727	1.7
362.19574	6.9
380.18558	2.4
389.89731	1.8
392.17661	2.6
394.18561	1.9
408.20004	2.3
410.19360	4.6
428.20596	6.0
446.21686	5.4
464.23077	8.3
482.24182	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	482.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.5
55.05507	2.7
57.03436	3.2
57.07095	1.7
61.02930	1.9
67.05502	3.0
69.03434	7.9
69.07056	2.4
69.67039	9.2
70.06596	15.8
74.14014	1.4
75.74993	1.3
78.75904	1.4
81.03410	4.3
81.07069	1.9
83.04974	6.7
83.82231	1.3
84.04494	2.8
84.08124	1.5
85.02899	17.1
85.06533	3.3
86.09698	5.9
91.05464	2.3
93.07043	3.3
95.05029	1.5
95.08611	2.8
97.02862	7.9
100.15782	1.5
101.07119	1.8
104.48744	1.4
105.03433	1.8
113.06015	1.4
116.07063	6.9
120.08056	2.1
124.18627	1.8
127.03927	4.0
127.79214	1.7
130.06549	16.1
131.08565	1.2
132.08029	2.5
142.06516	23.9
143.07307	4.9
144.08089	26.1
145.04898	2.6
148.07541	4.7
154.06491	2.2
155.07289	1.7
156.08067	19.7
157.05254	2.8
157.08496	4.3
158.06123	2.3
160.07552	8.3
163.03885	1.8
167.07286	2.1
168.08115	4.1
169.08841	6.5
170.05997	5.8
170.09627	4.0
172.07541	7.3
172.11201	2.4
173.08273	1.8
175.03947	2.2
176.07007	2.2
180.08075	2.8
181.08832	36.3
182.09616	14.4
183.10394	4.1
183.14833	2.7
184.07600	2.6
184.11212	31.5
188.07120	1.5
194.09662	7.3
195.10382	4.7
196.11191	29.8
198.12842	1.8
200.10803	1.8
201.01791	3.3
201.11449	2.6
202.12190	9.4
203.03368	10.2
206.09572	1.7
208.11261	2.3
209.08351	2.3
210.12823	2.5
212.10699	62.2
213.11169	2.2
214.12257	100.0
215.12534	1.8
224.10689	9.7
226.12239	3.1
226.63216	1.3
227.13106	3.6
228.13693	5.7
230.11749	65.0
232.13292	6.2
236.10660	1.6
236.14182	1.7
238.15912	6.2
242.11757	69.4
243.11929	1.4
245.04449	2.9
246.14615	2.5
248.14398	1.8
254.11755	5.0
254.15450	5.4
256.13156	2.9
256.16946	24.8
266.15402	20.6
272.12808	2.6
284.16431	89.1
285.16870	2.4
302.17493	87.6
303.17752	3.7
308.16531	1.7
320.18539	83.2
321.18820	2.1
326.17459	4.5
344.18481	3.1
355.25940	1.7
362.19519	6.0
376.00638	1.6
408.19977	2.9
410.19415	2.6
421.71542	1.6
428.20645	3.6
446.21887	3.7
464.22403	7.2
482.23877	4.7
483.22028	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	482.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58429	0.8
53.03938	1.5
55.01865	1.1
57.03428	2.1
61.02901	1.2
63.01480	0.8
67.05502	1.1
67.96800	0.8
69.03432	6.0
69.82602	4.7
70.06586	7.5
71.04995	1.4
72.08134	1.8
73.02903	1.5
81.03424	5.6
81.07018	0.9
81.45129	1.0
84.04498	1.0
84.08141	3.2
85.02902	7.8
86.09707	3.1
87.04483	1.4
87.40676	0.8
91.05450	1.2
93.79788	0.8
97.02885	3.9
99.04450	2.4
105.06980	1.1
107.04947	1.0
109.02874	3.6
110.07127	1.1
116.07082	2.7
120.08086	1.3
124.03931	1.0
127.03922	5.0
129.10246	1.5
130.06508	1.7
131.04900	0.9
131.07274	1.3
132.08087	3.4
134.26195	0.8
135.11699	2.3
138.05441	1.4
144.08093	21.1
146.06032	7.2
146.09644	1.4
147.04437	1.0
158.06027	1.1
159.06801	3.3
160.07585	7.1
162.05531	1.9
172.07576	5.1
173.08342	14.8
174.05502	39.0
174.09096	7.8
175.06294	11.3
178.05025	1.0
184.06021	1.8
184.07581	1.1
186.09109	5.7
187.06055	0.8
188.07065	24.8
189.07841	18.0
190.08629	100.0
191.08881	1.5
200.07086	2.6
202.08620	8.0
204.10243	4.1
207.65950	0.8
214.08586	5.6
216.10188	7.1
231.05125	1.0
232.09726	2.4
234.11261	31.5
302.23218	0.9
320.07715	1.6
352.10553	0.7
352.13910	24.9
394.14960	24.7
396.16547	30.2
420.12775	2.7
438.17630	73.3
439.18100	2.4
449.14984	0.9
464.15540	6.0
482.16586	90.2
483.16901	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	482.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.05519	9.2
57.03411	3.2
57.07757	2.0
67.05505	4.8
69.03414	9.8
69.07025	2.4
69.34346	1.7
69.56117	5.8
69.56543	7.5
70.06587	12.0
72.08161	3.0
79.05492	2.3
81.03412	8.6
81.07053	7.3
83.04982	19.8
84.04520	9.1
84.20702	1.8
85.02906	12.8
86.09707	3.4
89.03976	1.9
91.05454	5.2
93.07043	4.1
95.04963	4.0
95.08605	5.2
97.02895	7.0
98.06056	1.9
99.04474	3.5
104.89311	2.1
105.03381	4.5
105.07021	4.5
107.04980	2.6
107.08568	6.0
109.02861	3.4
109.10148	5.3
110.07211	2.5
117.07021	2.9
119.08624	2.9
121.10139	2.8
127.03920	11.5
133.10132	4.2
135.11708	2.6
137.05937	5.5
145.02853	6.1
147.04401	4.9
157.02841	6.2
166.08717	2.3
173.02368	29.3
173.09579	2.2
174.03087	5.9
175.03918	4.7
185.02328	5.7
187.03917	2.8
192.45076	2.3
198.09180	2.6
199.03931	5.7
201.01833	50.1
202.02617	48.1
203.03386	40.0
214.12265	2.6
215.03470	3.6
215.07077	4.6
215.12411	3.3
229.04961	3.7
229.08572	2.6
242.11743	2.3
243.06534	91.3
243.11826	2.8
247.06097	2.6
257.08105	7.8
258.07690	5.4
260.05585	7.1
284.16498	4.8
285.07578	100.0
285.16602	9.3
286.07901	3.3
290.08762	2.5
302.06735	2.2
302.17496	8.2
303.08633	92.7
303.17734	14.6
304.09079	3.4
320.07666	6.8
381.09531	7.4
405.17294	2.4
411.10678	5.9
433.73505	1.9
465.23145	2.4
482.20468	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	482.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43691	0.3
55.01855	0.3
55.05482	0.4
67.05491	0.8
67.81953	0.3
69.95344	0.9
69.95757	0.5
70.06561	0.6
79.05477	0.5
81.03387	0.3
81.07034	0.8
83.49392	0.3
91.05449	1.2
93.07011	0.8
95.04951	0.6
95.08609	0.4
97.06464	0.3
103.05443	0.9
104.98743	0.3
105.03354	0.4
105.07021	0.4
107.08596	0.3
109.10148	0.3
110.67406	0.3
119.08560	0.3
121.06490	1.0
131.04927	0.6
145.09982	0.3
146.06009	0.6
149.05957	0.7
160.07623	0.5
161.05881	0.4
163.03928	0.3
166.06163	0.3
167.07045	0.5
170.06024	0.8
174.05484	0.9
177.05466	0.6
178.06209	0.6
188.07060	5.6
189.07535	0.3
198.05428	1.1
200.07082	0.5
201.04253	0.4
202.05022	1.6
212.07054	0.7
214.05026	1.5
215.05817	0.4
216.06563	4.8
220.06046	0.9
226.05000	0.6
227.05855	0.3
228.06523	1.5
229.03636	0.9
229.07219	1.5
230.04494	1.3
240.06491	1.7
242.04497	1.0
242.08136	0.3
243.05339	0.5
244.06046	100.0
245.06412	2.0
246.07623	0.3
256.06116	1.5
257.06775	1.8
258.04028	1.2
258.07568	1.0
259.04715	2.8
270.07584	2.8
272.05527	68.0
273.06180	6.3
274.07071	4.6
284.05579	0.7
289.05746	1.0
314.06506	1.6
420.10284	0.5
433.38388	0.3
443.11722	0.3
452.13705	0.6
464.13345	3.2
482.14456	69.7
483.14606	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
65.41917	0.4
67.05486	0.6
69.89906	0.4
70.06573	1.2
70.47125	1.3
79.05471	0.5
85.87408	0.4
86.09698	0.7
91.05463	1.0
93.07034	1.0
95.04962	0.6
95.08563	0.5
103.05425	1.2
105.07021	0.9
109.10061	0.5
114.87727	0.4
119.08572	0.6
121.06480	0.6
131.04944	1.5
132.05663	1.0
137.03964	0.4
147.04404	0.6
149.02322	0.9
149.05936	0.7
171.25934	0.4
173.04720	0.9
176.04767	0.9
177.05438	1.4
178.06232	0.5
191.06989	1.6
192.07747	0.8
193.04930	0.9
199.06157	0.6
199.14777	0.6
201.04205	7.2
216.06526	2.7
227.05826	0.7
228.06409	0.8
229.03735	5.8
229.07237	2.1
230.04433	1.0
231.05222	1.5
237.07549	1.4
244.06053	100.0
245.06442	2.7
254.08179	0.6
256.06021	0.7
257.06927	1.2
258.07645	1.1
270.07593	2.1
272.05530	85.8
272.25653	0.7
273.06253	15.6
273.09280	0.8
274.07053	8.2
282.07620	0.8
284.05475	0.5
297.06290	0.5
298.07245	0.5
346.10782	0.6
406.09277	0.5
434.08658	0.8
448.10403	0.7
452.13391	1.1
464.13437	17.6
465.13867	0.7
482.14456	90.2
483.14676	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	482.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19326	0.3
55.01856	0.4
61.16623	0.3
69.32037	2.6
84.89198	0.3
91.05470	0.6
103.05440	0.9
116.73654	0.4
118.04159	0.6
121.06488	0.7
123.04429	0.4
131.04884	1.0
132.05733	0.4
148.05197	0.5
149.05980	0.5
150.52998	0.3
161.06010	0.3
167.06998	0.4
175.27364	0.3
176.04700	0.5
177.05443	0.7
188.07179	0.4
191.06917	0.8
192.07779	0.6
201.04207	7.8
214.05014	0.5
216.06523	2.6
221.36693	0.3
227.05809	0.4
228.06529	0.6
229.03720	5.0
229.07333	1.2
230.04533	0.7
231.05197	0.9
235.97931	0.4
242.08002	0.3
244.06056	100.0
245.06459	2.4
256.06128	0.4
257.06860	0.8
258.07678	1.1
259.04770	0.8
270.07617	1.6
272.05536	95.3
273.06253	10.4
274.07068	6.6
282.07645	0.8
286.98926	0.3
288.40399	0.4
310.07062	0.4
354.64859	0.3
376.33109	0.4
407.02258	0.4
448.10159	0.4
452.13562	0.7
464.13422	8.5
465.13272	0.5
482.14484	75.2
483.14862	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	481.2949
Annotation	Minabeolide 2
Peak:m/z	Relative Intensity
53.03935	0.9
54.41146	0.9
55.05501	2.0
57.07074	1.9
67.05488	2.8
69.07065	3.1
69.79561	5.3
71.08636	1.0
79.05487	2.6
81.01420	1.0
81.03443	1.2
81.07065	13.3
83.08614	1.6
91.05460	3.7
93.07054	13.8
95.04960	0.9
95.08591	3.7
98.21408	1.2
104.50036	0.9
105.07055	7.5
107.08589	6.3
109.10145	2.6
119.08603	7.3
119.09322	1.4
120.09367	0.9
121.10152	10.1
123.11674	1.7
129.07028	1.4
131.08513	1.1
133.10155	5.0
135.11696	11.6
137.13243	2.2
147.11681	1.0
157.10146	1.8
159.04472	1.1
159.11627	1.2
161.13242	16.1
175.03972	1.6
181.10091	1.2
183.08060	1.2
185.09503	1.8
187.07591	0.9
189.09105	1.1
189.12784	2.0
193.10193	1.0
194.19498	0.9
197.09583	1.5
198.98756	1.0
201.09117	1.4
211.11093	2.2
213.09081	1.1
221.09659	1.1
221.15306	2.1
225.12680	1.1
227.10660	1.5
227.14310	1.0
229.08629	1.1
229.12216	5.1
237.09073	1.0
237.12746	1.4
241.08566	1.8
241.12294	1.4
243.13789	2.3
253.12192	1.9
255.13779	3.1
261.11273	3.2
263.14377	1.2
267.13913	1.8
269.15356	2.7
273.14865	28.8
277.15707	0.9
279.13715	2.3
281.15332	2.0
287.16364	5.0
290.13168	1.0
291.13629	1.0
293.15289	1.7
294.16211	2.2
295.13290	2.0
295.16895	1.9
295.24274	2.6
297.15079	1.2
299.16373	1.7
305.15396	1.6
313.14334	8.9
313.17642	1.5
319.16666	1.3
323.16550	1.1
325.17966	1.2
327.15796	2.5
331.15057	1.3
333.18484	1.9
335.20114	1.4
337.17975	4.2
338.18619	7.0
339.19669	1.6
345.16983	6.2
351.19421	2.4
352.20123	1.2
365.21072	1.4
368.78983	1.0
377.24313	1.1
378.21942	1.1
403.26468	4.6
421.27380	100.0
422.27628	3.8
449.26868	2.2
463.28400	5.4
473.72964	1.4
476.62305	1.2
481.23138	2.2
481.29352	10.2
481.36069	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
55.05505	4.1
57.07067	3.6
59.04995	4.0
67.05511	9.1
69.07077	6.5
69.95123	4.0
69.95539	2.2
71.19156	1.3
79.05492	9.5
81.07061	54.2
84.01619	1.1
85.06522	3.0
85.10175	1.7
88.23026	1.2
91.05492	12.0
93.07049	42.3
94.66970	1.3
94.72051	1.2
95.04995	1.9
95.08600	13.7
103.14336	1.1
105.07028	18.2
107.08621	9.5
107.33411	1.3
109.10161	4.1
117.07042	2.5
119.04982	1.3
119.08588	16.6
121.06497	2.1
121.10165	10.1
123.11723	3.8
128.06259	1.4
128.66908	1.3
129.07065	2.3
131.08615	2.6
133.10170	7.3
135.11697	19.2
137.13243	8.4
143.08577	2.7
145.10114	2.5
147.04417	1.8
147.08025	2.6
147.11703	1.9
149.05981	1.6
151.07516	1.4
153.07033	1.5
155.08530	2.6
157.06534	2.1
157.10185	4.0
159.11702	3.2
161.05991	1.7
161.13260	28.0
165.07016	1.5
169.10207	2.9
171.04460	2.5
171.08101	3.3
173.05994	2.1
173.09572	2.3
175.03920	5.4
175.07605	2.6
179.10730	1.5
181.06473	1.7
183.04570	1.4
183.08076	2.2
185.06012	1.6
185.09679	5.7
187.03915	2.5
187.07547	4.0
187.11162	1.4
189.09105	11.5
189.12767	4.4
195.08112	3.7
197.05888	1.5
197.09599	3.1
198.06770	2.6
199.03925	8.7
199.07617	4.2
201.05464	3.1
201.09157	5.0
203.10701	3.0
207.08121	1.6
209.09641	1.6
210.10399	1.8
211.07532	3.1
211.11197	2.3
212.08531	1.2
213.05524	4.5
213.09113	7.7
215.07098	4.6
215.10725	4.0
217.08548	1.7
221.09642	1.9
221.15408	3.6
223.07698	1.8
223.11102	1.3
223.86334	1.3
225.09151	6.0
226.06332	3.5
226.09866	1.5
227.07106	2.6
227.10721	4.1
229.08685	4.3
229.12175	6.6
231.10208	3.3
237.12703	1.7
239.07108	1.5
239.10754	3.9
239.14317	1.8
240.11661	1.6
241.08621	31.3
241.12302	3.7
243.10239	5.4
243.13902	1.9
251.14479	1.4
253.08656	7.7
253.12300	5.1
255.10013	1.9
255.13882	7.1
259.09561	11.4
261.11319	4.1
265.12158	2.5
267.13837	5.0
269.15353	6.3
271.09787	2.1
273.11389	7.2
273.14905	41.0
275.16495	1.7
277.12500	1.8
279.13745	2.1
281.15094	3.0
285.14883	1.5
287.13113	2.2
287.16370	13.5
293.15430	1.8
295.13345	8.8
295.16962	4.6
295.24301	1.4
297.14926	4.7
299.16449	1.8
307.16736	2.7
311.16644	3.5
313.14362	34.5
313.17731	2.3
314.15091	1.7
315.16141	6.7
319.17166	1.5
323.16550	1.8
327.15918	19.9
327.19485	2.4
331.15787	1.4
333.18497	1.6
337.18008	2.1
338.18826	5.3
339.19577	1.5
343.15472	2.0
345.16995	29.6
349.21680	2.3
351.19577	3.5
352.20392	1.8
365.21112	3.4
379.23026	2.0
403.26459	7.0
421.27408	100.0
422.27887	3.8
431.25836	5.6
449.26813	12.1
463.28452	16.9
481.23810	2.2
481.29547	55.0
481.36819	2.5
482.29910	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2583
Annotation	Vedelianin
Peak:m/z	Relative Intensity
53.03930	2.9
55.05495	9.4
57.07073	11.3
57.55037	2.3
58.54390	2.1
61.76804	2.4
62.06082	2.5
65.03926	6.1
67.05506	38.5
69.07053	7.2
69.93816	12.4
71.04984	2.6
75.67316	2.0
79.05476	8.4
81.07066	19.3
82.19588	2.0
85.06546	16.6
91.05492	14.7
93.07041	49.2
95.01321	6.0
95.04980	3.6
95.08590	6.5
97.10149	2.3
98.20795	2.5
105.07037	13.0
105.61552	2.1
107.04961	3.8
107.08586	19.1
109.06534	2.2
109.10159	9.4
117.07031	2.5
119.05012	3.5
119.08556	7.5
121.06506	9.4
121.10139	6.1
123.11690	6.5
129.07028	3.3
131.08583	3.1
133.06499	6.1
133.10097	8.1
135.04413	4.3
135.11690	44.4
137.02338	7.6
143.08598	2.5
147.04456	4.0
147.08034	3.6
147.11656	4.8
149.02321	24.5
159.07964	3.4
159.11734	2.2
161.02336	7.5
161.05952	7.7
161.09613	4.5
161.13234	2.5
163.03880	2.7
165.05489	2.9
167.03416	39.2
169.64124	2.1
171.08040	2.8
173.05983	2.8
175.03883	6.4
175.07510	7.2
175.11205	5.8
177.12762	8.9
179.10646	4.9
185.05966	3.9
187.07417	3.5
189.09148	7.0
191.03391	7.7
203.03380	36.7
203.07018	35.8
203.10657	7.8
213.05559	2.7
213.09050	5.1
214.06210	3.5
215.03334	8.2
215.06976	16.4
217.04985	18.7
217.08543	3.3
221.08101	40.4
221.11597	18.2
229.04948	11.2
233.08142	15.6
239.07060	4.0
241.08633	4.5
243.06393	3.1
243.13820	9.1
251.09062	10.5
255.06548	3.4
257.08002	12.1
259.09680	7.4
261.14761	3.0
263.09067	4.2
269.08133	4.8
269.11703	4.2
269.14780	2.6
271.09680	7.3
273.11200	6.6
273.14792	5.2
275.09155	26.7
281.08069	3.1
283.09583	4.7
285.11203	8.1
287.12708	28.4
289.10684	21.8
301.10669	3.4
305.13757	25.7
313.14349	5.3
323.12976	3.8
325.14267	9.9
329.13654	4.8
337.14285	5.8
341.13727	23.6
341.30505	6.8
347.15027	3.0
353.13632	3.5
355.15414	17.5
359.14838	29.1
373.16400	31.0
379.19186	4.2
393.20911	10.5
397.20172	18.2
407.18405	8.4
409.20129	5.8
425.19415	14.3
445.23660	5.9
463.24738	61.1
464.25073	4.2
481.25800	100.0
482.26053	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	481.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03618	4.2
53.03929	10.3
54.00617	4.2
55.01863	9.3
55.05503	19.2
57.03429	13.7
57.07055	5.0
59.04997	10.2
61.02901	4.8
62.94896	4.9
65.03928	6.0
67.05504	34.2
68.99807	6.8
69.03430	35.2
69.07066	40.6
69.41055	22.6
69.41463	13.5
70.06588	13.2
71.04986	12.6
72.08150	23.2
79.05506	31.1
81.03419	45.9
81.07055	58.1
83.04985	12.3
83.08601	7.0
84.04504	5.6
84.08128	9.0
85.02899	42.8
85.06543	9.4
86.06067	10.7
86.09693	13.5
87.00834	12.4
87.04460	13.0
87.36098	5.1
91.05482	39.7
93.03396	10.8
93.07055	44.2
95.04948	22.3
95.08622	34.5
97.02909	29.0
97.06548	10.7
97.10159	6.6
99.04432	9.7
100.11251	25.6
103.05508	5.5
105.01838	9.5
105.03388	7.9
105.05511	7.7
105.07029	65.1
107.04946	19.0
107.08583	41.2
109.02873	39.5
109.06506	15.7
109.10143	34.0
110.07163	37.7
111.04439	7.7
111.08022	5.0
115.05435	5.1
117.07005	7.4
119.04943	13.1
119.08569	29.5
120.08141	6.2
121.02856	11.7
121.06480	10.3
121.10135	25.6
123.04465	6.9
123.08121	7.5
123.11727	9.1
125.09595	6.6
127.03898	39.9
127.07534	4.6
127.11166	7.4
129.06966	7.2
129.10303	4.5
129.12773	11.3
130.06557	13.2
131.04903	6.5
131.08575	18.4
133.06511	8.9
133.10124	52.1
135.04424	16.8
135.08061	8.4
135.11664	5.6
136.06175	8.3
137.05977	46.2
137.09610	9.3
137.13277	8.5
139.03912	13.6
139.11130	7.0
143.08521	11.2
145.04976	6.7
145.06453	11.3
145.10126	28.7
147.04437	11.6
147.11679	13.9
149.02385	8.1
149.05980	7.1
149.09590	7.5
151.03937	14.0
151.11142	10.3
156.13872	7.6
157.06522	5.4
157.10153	9.8
158.05984	14.3
158.07202	4.7
159.04430	18.2
159.08032	10.3
159.11696	17.9
161.06001	5.6
161.09552	8.3
161.13242	7.8
162.13617	5.9
163.03923	42.6
163.11046	5.8
165.12845	6.2
166.40428	5.0
167.03387	10.0
167.07085	12.0
169.06479	5.5
169.10052	6.1
171.11557	7.4
173.05930	9.7
173.09621	12.9
173.13290	6.5
175.03894	25.2
175.11215	8.0
176.07086	15.1
177.05478	42.2
179.07086	5.5
179.14224	5.3
180.14772	4.8
181.04959	99.0
181.06516	6.5
182.15437	12.7
187.03935	19.4
187.11133	10.9
187.14789	9.6
189.05486	11.0
191.07040	14.1
193.04984	70.5
195.06544	6.1
197.13292	5.5
198.15742	11.3
201.05440	27.7
203.06972	6.0
205.04956	67.1
205.06718	7.0
207.06479	8.5
213.05530	8.7
215.07027	6.9
215.10579	10.3
215.14375	10.3
216.10187	5.4
217.05054	6.6
217.15837	5.4
219.06554	42.6
223.06012	85.6
225.05519	7.0
227.07071	5.6
229.05008	12.9
231.06725	8.0
233.15355	7.9
235.05847	5.3
241.04962	8.3
243.06584	11.1
245.08116	12.3
247.06024	89.2
247.36626	4.9
257.08112	10.8
259.06036	32.0
261.07520	7.1
263.09116	12.9
271.06079	17.4
271.09534	8.3
273.11172	5.8
275.09152	9.4
277.07056	30.5
283.09961	7.1
283.20264	7.2
285.08066	5.8
289.07083	55.7
301.11096	5.6
301.14334	17.7
307.08002	27.7
309.21710	8.9
313.14209	36.2
319.10260	7.1
319.15579	8.5
325.09174	100.0
325.13647	5.7
325.14310	4.9
331.15396	15.4
343.10217	14.7
343.15424	14.1
367.15552	29.3
379.15344	17.2
385.16333	8.1
391.15216	9.5
397.16507	13.3
409.16501	15.4
427.17334	16.0
445.18384	7.9
481.20468	14.9
481.29547	5.8
481.37616	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2252
Annotation	Gln Trp Phe
Peak:m/z	Relative Intensity
51.53684	0.2
53.97371	0.2
58.32536	0.3
61.32042	0.2
63.80741	0.2
70.06892	1.0
74.79079	0.2
105.03383	1.0
162.09111	0.4
226.66615	0.3
265.99527	0.3
319.14047	0.4
479.71637	0.3
480.22577	100.0
481.22894	6.7
499.50348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03618	4.2
53.03929	10.3
54.00617	4.2
55.01863	9.3
55.05503	19.2
57.03429	13.7
57.07055	5.0
59.04997	10.2
61.02901	4.8
62.94896	4.9
65.03928	6.0
67.05504	34.2
68.99807	6.8
69.03430	35.2
69.07066	40.6
69.41055	22.6
69.41463	13.5
70.06588	13.2
71.04986	12.6
72.08150	23.2
79.05506	31.1
81.03419	45.9
81.07055	58.1
83.04985	12.3
83.08601	7.0
84.04504	5.6
84.08128	9.0
85.02899	42.8
85.06543	9.4
86.06067	10.7
86.09693	13.5
87.00834	12.4
87.04460	13.0
87.36098	5.1
91.05482	39.7
93.03396	10.8
93.07055	44.2
95.04948	22.3
95.08622	34.5
97.02909	29.0
97.06548	10.7
97.10159	6.6
99.04432	9.7
100.11251	25.6
103.05508	5.5
105.01838	9.5
105.03388	7.9
105.05511	7.7
105.07029	65.1
107.04946	19.0
107.08583	41.2
109.02873	39.5
109.06506	15.7
109.10143	34.0
110.07163	37.7
111.04439	7.7
111.08022	5.0
115.05435	5.1
117.07005	7.4
119.04943	13.1
119.08569	29.5
120.08141	6.2
121.02856	11.7
121.06480	10.3
121.10135	25.6
123.04465	6.9
123.08121	7.5
123.11727	9.1
125.09595	6.6
127.03898	39.9
127.07534	4.6
127.11166	7.4
129.06966	7.2
129.10303	4.5
129.12773	11.3
130.06557	13.2
131.04903	6.5
131.08575	18.4
133.06511	8.9
133.10124	52.1
135.04424	16.8
135.08061	8.4
135.11664	5.6
136.06175	8.3
137.05977	46.2
137.09610	9.3
137.13277	8.5
139.03912	13.6
139.11130	7.0
143.08521	11.2
145.04976	6.7
145.06453	11.3
145.10126	28.7
147.04437	11.6
147.11679	13.9
149.02385	8.1
149.05980	7.1
149.09590	7.5
151.03937	14.0
151.11142	10.3
156.13872	7.6
157.06522	5.4
157.10153	9.8
158.05984	14.3
158.07202	4.7
159.04430	18.2
159.08032	10.3
159.11696	17.9
161.06001	5.6
161.09552	8.3
161.13242	7.8
162.13617	5.9
163.03923	42.6
163.11046	5.8
165.12845	6.2
166.40428	5.0
167.03387	10.0
167.07085	12.0
169.06479	5.5
169.10052	6.1
171.11557	7.4
173.05930	9.7
173.09621	12.9
173.13290	6.5
175.03894	25.2
175.11215	8.0
176.07086	15.1
177.05478	42.2
179.07086	5.5
179.14224	5.3
180.14772	4.8
181.04959	99.0
181.06516	6.5
182.15437	12.7
187.03935	19.4
187.11133	10.9
187.14789	9.6
189.05486	11.0
191.07040	14.1
193.04984	70.5
195.06544	6.1
197.13292	5.5
198.15742	11.3
201.05440	27.7
203.06972	6.0
205.04956	67.1
205.06718	7.0
207.06479	8.5
213.05530	8.7
215.07027	6.9
215.10579	10.3
215.14375	10.3
216.10187	5.4
217.05054	6.6
217.15837	5.4
219.06554	42.6
223.06012	85.6
225.05519	7.0
227.07071	5.6
229.05008	12.9
231.06725	8.0
233.15355	7.9
235.05847	5.3
241.04962	8.3
243.06584	11.1
245.08116	12.3
247.06024	89.2
247.36626	4.9
257.08112	10.8
259.06036	32.0
261.07520	7.1
263.09116	12.9
271.06079	17.4
271.09534	8.3
273.11172	5.8
275.09152	9.4
277.07056	30.5
283.09961	7.1
283.20264	7.2
285.08066	5.8
289.07083	55.7
301.11096	5.6
301.14334	17.7
307.08002	27.7
309.21710	8.9
313.14209	36.2
319.10260	7.1
319.15579	8.5
325.09174	100.0
325.13647	5.7
325.14310	4.9
331.15396	15.4
343.10217	14.7
343.15424	14.1
367.15552	29.3
379.15344	17.2
385.16333	8.1
391.15216	9.5
397.16507	13.3
409.16501	15.4
427.17334	16.0
445.18384	7.9
481.20468	14.9
481.29547	5.8
481.37616	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01866	3.4
55.05509	8.0
60.04524	2.6
67.05501	2.5
68.30676	1.2
69.03430	5.0
69.07051	2.2
70.06589	12.3
70.69877	4.1
71.04955	1.3
72.08154	27.0
74.06071	1.4
75.62639	1.2
78.47614	1.3
79.05497	4.0
81.03419	3.8
81.07043	13.9
83.04987	2.0
84.04499	1.8
84.08150	6.1
85.02901	5.8
86.09708	8.3
88.63143	1.1
90.05552	1.3
91.05476	4.1
93.07053	2.0
95.04969	2.2
95.06019	1.3
95.08641	1.4
97.02881	5.0
99.04468	3.6
104.05273	1.3
105.03382	3.6
105.07042	3.7
107.04933	1.6
107.08554	2.0
109.02892	2.5
109.06490	6.6
109.10156	2.6
109.30316	1.2
110.07177	1.6
110.40269	1.2
113.07149	2.8
119.08560	1.5
120.08087	10.5
121.06514	1.7
123.08049	1.3
125.05992	32.3
127.03906	16.7
129.10257	2.9
133.10133	5.2
135.04312	1.2
136.07582	3.3
137.05969	91.7
137.09631	1.5
138.06340	1.6
143.08528	2.8
144.08093	1.6
151.11133	1.6
151.29713	1.1
155.07014	1.6
159.07680	1.7
159.11276	1.4
161.09595	7.9
162.09149	2.4
164.07121	4.2
165.05479	1.5
166.08640	5.8
167.06909	1.4
179.10669	35.4
187.10638	1.7
197.11723	100.0
198.12083	2.5
199.13235	1.2
206.04573	1.6
207.06534	1.9
207.11243	3.0
214.08681	1.4
220.11804	3.1
223.10878	2.2
229.11868	1.6
235.10854	1.4
240.13406	3.3
246.14609	2.0
248.45728	1.1
300.15958	3.9
303.07431	1.8
317.06573	2.5
318.06729	6.5
318.10098	1.6
322.17664	1.8
386.07443	1.1
481.11679	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57997	1.0
52.51293	1.1
53.03947	3.6
55.01866	2.3
55.05514	8.1
57.03429	4.8
60.04533	1.0
61.02930	5.6
67.05507	2.1
69.03431	18.9
69.07064	2.4
70.06582	4.6
71.03025	1.8
71.03374	1.5
71.04997	4.2
72.08147	2.5
73.02909	2.8
79.05499	2.1
81.03419	9.0
81.07053	3.1
83.04981	100.0
84.04526	2.0
84.05299	1.6
84.08160	2.1
84.34925	1.1
85.02906	38.9
86.06108	0.9
86.09711	2.7
87.00831	1.1
87.04466	4.3
91.03963	1.4
91.05491	3.6
93.07043	2.9
95.04963	1.7
95.08608	4.3
97.02883	13.2
97.06510	1.5
99.04467	3.6
105.01854	1.4
105.03413	1.0
105.07036	2.3
107.04934	1.4
107.08580	2.8
109.02892	6.7
109.10168	2.9
118.06545	3.4
119.04916	1.1
119.08563	3.0
120.08103	4.8
121.06469	1.3
121.10161	2.0
123.08079	1.7
127.03912	10.9
128.04198	1.0
130.06535	2.3
131.07355	1.3
133.10138	1.2
134.09636	1.3
137.09631	2.5
140.10715	1.8
144.08089	2.7
145.04929	5.5
145.10181	1.8
146.06004	14.4
148.07535	1.4
156.57516	1.0
157.08858	1.7
162.05476	1.3
170.06021	1.6
170.09648	3.0
172.07579	1.7
172.11208	36.9
183.06783	10.1
184.11273	1.3
185.08327	2.0
186.09155	2.7
188.07085	1.3
188.10689	3.8
190.12277	2.3
190.37950	1.0
196.11293	1.9
197.11832	1.4
198.09126	14.0
200.10712	26.4
201.11096	1.7
207.06493	2.2
210.09158	1.8
213.98473	1.2
214.08658	1.4
216.10207	54.9
217.10826	1.5
218.11761	80.9
219.12105	2.1
226.12317	1.9
226.15858	2.4
228.10184	2.1
237.11476	2.3
242.11769	5.0
246.11287	6.0
252.13806	2.8
254.15434	4.5
270.14899	8.2
272.16455	3.8
282.14911	4.0
300.15933	28.3
318.06754	3.3
318.16983	99.3
319.17184	2.5
378.15640	8.9
444.33020	1.7
462.21121	3.6
465.19366	1.3
480.15302	1.7
480.22153	23.5
480.28561	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	23.9
57.07075	85.1
67.05501	9.9
69.07056	37.0
69.88434	36.5
71.08629	100.0
75.69111	9.1
75.99944	7.4
81.07050	34.1
83.04961	9.7
83.08618	33.2
85.10184	52.4
93.07033	38.0
95.08592	20.3
97.10206	11.9
99.11794	7.4
101.06028	42.2
107.08571	28.1
109.06501	9.8
109.10136	19.8
111.11710	8.7
115.07572	10.0
121.10139	21.5
127.07572	80.9
129.05476	87.1
135.11615	9.3
139.07541	8.3
149.13225	12.7
163.14790	11.0
177.16405	11.7
181.15907	11.9
239.78348	8.8
289.28806	14.0
388.79388	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	480.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58612	2.2
53.03941	5.4
55.01873	15.9
55.05508	3.7
56.05033	3.2
57.03423	2.7
57.07070	8.2
60.04504	2.3
62.51929	1.5
67.05496	11.1
69.03430	16.8
69.07073	11.8
70.02955	8.6
70.06599	15.8
70.19347	7.4
71.04993	15.7
72.04517	24.6
72.08170	5.1
73.02923	18.0
74.02408	2.1
74.06075	2.5
78.62071	1.9
79.05497	2.6
81.03419	26.6
81.07055	4.5
83.01310	1.8
83.05013	10.1
83.08635	1.8
84.04510	4.7
84.08144	5.3
85.02899	18.7
85.06548	14.6
86.09708	12.5
87.08101	3.1
90.05557	38.9
91.05482	5.1
95.04982	11.5
96.04524	1.9
96.08124	4.2
97.02896	19.7
98.02417	23.4
99.04453	23.1
100.03959	9.1
103.07580	4.6
107.08578	2.4
108.04485	2.4
109.02887	33.5
110.06018	3.1
110.07150	2.4
110.94419	2.0
111.04494	1.8
112.07629	4.5
113.05995	11.0
115.03910	2.8
116.03449	22.8
119.04952	4.4
120.08108	6.3
123.04443	2.1
124.03912	1.8
124.07598	32.3
127.03924	23.1
128.07062	2.1
128.83536	1.9
129.10271	3.0
130.08640	3.1
132.06573	9.0
136.07564	1.8
137.05946	5.3
138.05476	4.7
142.08629	45.0
145.04964	12.1
147.04404	3.9
151.03831	2.5
152.07066	2.3
153.01724	2.5
154.05005	2.2
154.08623	2.4
160.09708	8.1
162.05495	39.7
162.07573	2.9
166.08640	5.0
169.04997	2.1
170.08177	2.1
172.09720	5.2
174.11226	4.9
175.03925	3.7
181.05000	3.3
182.08136	2.0
183.71632	2.2
184.06088	4.2
184.09695	46.8
187.06096	2.0
197.11705	3.1
198.07640	4.8
199.05998	7.0
201.11200	3.4
202.10765	100.0
203.11333	2.9
207.06560	8.2
211.09709	9.5
214.08704	1.9
216.08798	5.5
217.07097	4.5
220.11789	17.4
230.10139	8.4
234.09674	8.5
244.11876	4.9
254.10506	1.9
259.11215	1.7
262.12891	14.9
281.34283	1.8
300.14615	2.5
310.12943	12.1
317.06558	6.9
318.06796	13.6
318.13135	2.3
319.04373	4.3
328.13910	62.0
346.14948	48.9
364.16040	14.0
426.17624	14.5
427.14996	3.1
445.16089	1.8
462.13785	2.9
462.19785	39.8
481.18799	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	479.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01868	1.5
55.05523	1.8
56.96528	0.4
57.03434	1.1
65.03928	0.5
65.11651	0.3
67.05518	3.4
68.99786	0.7
69.03432	3.1
69.07068	1.8
70.06593	0.4
71.05000	0.9
71.52054	0.5
73.02917	0.5
73.65797	0.3
75.99188	0.3
79.05491	2.6
81.03429	3.4
81.07066	4.0
83.04986	1.0
83.08617	1.1
84.08131	0.4
84.10708	0.4
85.02907	4.5
86.09685	0.4
87.00822	1.0
91.05481	3.2
93.07059	2.3
93.59135	0.3
95.04975	1.2
95.08618	2.5
97.02893	1.2
97.06553	0.7
97.10189	0.7
99.04453	0.8
103.05475	1.9
105.01868	0.8
105.03403	0.8
105.07038	3.4
107.04977	1.1
107.08588	1.9
109.02884	2.8
109.06505	1.8
109.10146	1.3
115.05474	1.5
117.07012	1.6
119.04842	0.3
119.08601	2.3
121.02895	0.5
121.06504	1.2
121.10146	1.5
123.08044	0.5
123.11729	0.6
125.09590	0.6
127.03924	3.7
128.06194	0.4
129.07018	0.6
131.04947	2.3
131.08563	1.5
132.04442	0.3
133.06502	2.9
133.10146	1.5
135.04395	0.4
135.08076	0.7
135.11702	0.6
137.06049	0.8
137.09615	0.8
143.08583	0.8
145.04924	1.1
145.06493	1.4
145.10143	1.1
147.04411	5.8
147.08075	0.5
147.11647	0.6
149.09631	0.6
149.13306	0.6
155.06023	0.7
157.10088	0.8
159.02914	0.9
159.08026	0.9
159.11708	0.8
161.05989	3.4
161.09592	0.6
161.13261	0.4
163.11244	0.6
167.03230	0.4
169.10138	0.4
173.11789	0.4
173.13309	0.4
175.03917	80.4
176.04292	1.3
177.05554	0.4
181.05008	0.6
184.07491	0.4
185.09676	0.3
189.05478	51.5
190.05829	1.4
193.12242	0.4
196.07568	0.8
199.14861	0.4
203.07089	0.4
203.10783	0.5
204.10541	0.3
207.06462	0.3
215.10777	0.4
215.14366	0.5
219.13783	0.7
222.47603	0.4
231.10172	100.0
232.10469	2.7
317.06540	0.9
369.24323	0.6
387.24646	0.6
405.25928	0.3
415.22543	0.4
461.28577	1.2
479.15176	3.5
479.30142	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	479.1182
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
52.61361	0.1
53.03943	0.1
54.95098	0.1
55.01857	0.1
55.05498	0.1
56.05033	0.8
57.03437	0.1
57.15142	0.1
61.01152	0.5
61.02919	0.1
65.03941	0.3
67.05504	0.1
68.99807	0.2
69.03436	0.4
69.07103	0.1
69.34120	0.2
69.34522	0.7
70.06592	0.6
72.08170	0.2
74.06081	0.7
81.03447	0.3
82.06573	0.1
82.41306	0.1
84.04497	0.1
84.08160	0.3
85.02906	0.6
86.09711	0.4
91.05473	0.1
92.02620	1.2
93.03409	1.3
95.04961	0.2
95.08594	0.1
97.02900	0.3
104.05328	0.6
105.03401	0.2
109.02883	0.3
110.07191	0.2
111.00800	0.2
111.04482	0.1
119.05002	0.2
120.08090	0.1
121.02878	1.2
121.06561	0.1
123.04501	0.1
126.03129	0.6
126.05537	0.2
127.03876	0.2
129.10258	0.1
132.10172	0.2
133.02858	0.1
135.04411	0.1
137.02367	0.4
138.09169	0.1
139.03905	1.0
144.06580	0.2
149.02364	0.1
150.03131	0.1
151.03917	1.2
153.01826	9.5
154.02324	0.1
154.05013	0.2
161.05901	0.2
163.03966	0.2
165.01854	0.8
166.02632	0.2
167.06956	0.2
171.02989	0.1
174.05823	0.1
177.01842	0.1
177.05519	0.3
183.02913	0.2
187.03954	0.1
189.05353	0.1
200.04695	0.4
201.05446	1.1
203.03384	0.6
204.04181	0.1
212.25752	0.1
214.11601	0.1
215.13931	0.3
217.04980	1.0
217.08226	0.2
218.05739	0.9
219.02946	0.2
228.04161	1.7
229.04959	4.3
230.05478	0.1
231.02837	0.5
233.14948	0.5
239.03339	0.2
243.06627	0.2
245.04446	1.8
246.05237	2.2
247.07500	0.4
256.03674	0.3
257.04446	3.2
257.07120	0.2
260.03146	0.4
261.07562	0.3
271.06049	0.3
273.03937	2.2
274.04715	4.9
284.03119	0.6
285.03931	5.4
286.04346	0.2
287.01706	0.1
288.06097	0.2
301.03439	0.2
302.04202	15.9
303.04526	0.3
317.06537	100.0
318.06900	1.8
329.06564	0.1
330.16449	0.1
348.12415	0.3
359.07407	0.1
443.09274	0.1
461.20810	0.1
479.11517	0.6
479.28461	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	5,2',4',5'-Tetrahydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside
Peak:m/z	Relative Intensity
53.03945	3.7
55.01868	2.3
55.05519	2.3
57.03431	4.8
61.02917	3.9
61.74419	1.6
67.05489	5.7
68.99781	6.8
69.03426	8.8
69.07064	4.1
70.06590	11.9
71.04987	4.3
71.52213	2.7
72.08138	4.1
79.05489	5.4
81.03416	11.5
81.07043	5.1
83.04971	2.1
84.08154	3.9
85.02906	23.9
85.06552	3.2
85.08480	1.8
86.06079	1.6
86.09710	8.2
87.00817	6.0
91.05486	4.6
93.03413	1.6
93.07039	5.7
95.04970	9.0
95.08591	5.0
97.02898	6.2
97.06519	3.6
97.16090	1.7
99.04443	3.6
103.03905	3.3
103.05463	2.0
105.01880	2.8
105.03391	85.0
105.07015	4.8
107.04960	4.3
107.08559	3.6
109.02876	10.0
109.06558	1.5
109.10148	4.0
110.07157	1.7
116.07146	1.4
117.06970	1.6
119.05009	1.8
119.08572	3.6
120.08096	6.4
121.02875	7.9
121.06509	3.0
121.10128	4.3
122.03537	1.5
123.04428	6.1
123.11698	2.3
127.03919	11.4
129.01837	4.7
129.10225	2.0
131.04912	1.8
131.08595	1.4
133.02812	3.6
133.10109	3.0
135.04387	2.5
135.07996	1.7
135.11630	2.1
136.03886	2.1
136.07574	2.8
137.05991	3.0
139.03801	1.7
141.09100	1.6
143.08546	2.1
145.06355	1.4
145.10123	2.1
147.04453	3.8
149.02341	4.4
151.03902	6.5
153.01810	18.0
159.04385	1.5
159.08076	2.6
161.09619	1.7
163.03899	5.0
163.07544	3.3
165.01848	5.3
165.05486	5.6
167.03438	8.0
170.44176	1.5
171.02930	1.9
171.08012	2.7
175.03926	2.9
177.00461	1.0
177.01840	24.7
177.05455	2.0
179.03352	1.8
183.02858	2.3
185.02560	1.5
187.03859	2.5
189.01866	2.7
189.03841	2.1
189.05441	2.5
191.03416	12.5
193.04909	2.9
195.02890	29.1
197.04428	4.0
199.83406	1.6
200.07103	5.3
201.07445	4.8
203.06952	2.3
205.05074	3.3
207.02818	2.7
207.06551	3.8
209.04459	2.0
213.03976	2.4
215.03352	5.1
217.04948	6.2
219.02954	8.8
231.06534	5.7
233.04420	4.9
235.05989	2.8
243.02896	5.7
243.06688	2.3
245.15535	1.6
253.04898	2.0
253.11987	1.6
255.06525	42.1
256.14175	2.9
257.14401	2.8
261.03854	7.3
261.13403	2.8
269.08014	4.2
273.07632	26.6
274.04822	2.1
293.08099	3.6
297.07553	25.6
302.04239	26.2
317.06570	100.0
318.09708	6.4
321.07587	17.3
333.86063	1.7
339.08658	21.3
339.12369	2.6
425.08655	2.3
479.16867	2.4
480.17267	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	479.1184
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03912	0.3
55.01843	0.3
57.03408	0.2
61.02885	0.5
61.64037	0.2
69.03432	1.6
70.06577	0.2
70.12074	0.6
70.31274	0.1
79.05455	0.2
80.28993	0.1
81.03429	1.0
81.07010	0.5
83.96107	0.2
85.02902	3.2
86.09673	0.3
87.04405	0.2
91.03904	0.3
91.05446	0.2
93.03395	0.2
95.04935	0.2
97.02890	1.3
98.21449	0.2
99.04443	0.2
105.20407	0.2
109.02831	0.5
109.06447	0.2
109.10117	0.2
121.02905	0.2
122.03651	0.3
126.02953	0.2
127.03922	0.8
132.23862	0.2
133.02847	2.4
134.37756	0.2
137.05937	0.7
145.04953	0.4
147.04388	0.4
149.02292	0.3
149.74648	0.2
150.03123	1.4
151.03911	0.4
153.01828	12.7
154.02074	0.2
160.89618	0.2
165.05478	4.5
167.03365	0.7
176.53238	0.1
179.03340	0.7
189.57820	0.2
195.02820	0.3
200.04724	0.2
201.05508	0.3
203.03371	0.2
204.04063	0.4
205.04898	0.4
206.05563	0.2
207.83884	0.2
210.71490	0.2
212.17372	0.2
217.04984	0.3
218.05795	0.2
227.76768	0.2
228.04259	0.4
229.02791	0.2
229.04955	0.7
232.03667	1.3
245.04427	0.5
246.05222	0.5
257.04459	0.5
267.12747	0.2
270.67307	0.2
273.03912	0.7
274.04727	3.5
285.03888	1.1
300.08707	0.3
302.04202	25.8
303.04514	0.6
317.06552	100.0
318.06866	2.1
369.86624	0.2
479.11777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1178
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03933	0.3
54.96908	0.2
55.01855	0.8
57.03424	0.8
61.02925	2.3
67.05500	0.2
68.99784	0.3
69.03430	4.0
69.93224	0.5
69.93625	0.6
70.06587	0.7
71.04984	0.5
72.08136	0.5
73.02908	0.3
81.03416	1.7
81.07056	0.4
84.08148	0.5
85.02902	11.1
86.09694	0.8
87.04475	0.3
91.03951	0.5
92.02615	1.0
93.03424	1.6
93.07061	0.2
95.04993	0.2
95.08658	0.2
97.02893	3.7
99.04443	0.7
105.03407	1.1
105.07037	0.3
107.08590	0.3
109.02849	1.1
121.02856	1.3
121.10088	0.3
126.03114	0.6
127.03915	2.1
129.10175	0.2
130.06522	0.4
133.10129	0.2
137.02344	0.4
137.09555	0.3
139.03937	1.0
145.04948	1.6
145.05965	0.2
145.06392	0.2
145.10063	0.2
151.03882	0.9
153.01828	8.0
154.02095	0.2
157.07596	0.7
158.07927	0.4
163.03902	0.4
165.01811	0.7
166.02702	0.2
177.01868	0.5
177.05457	0.3
191.03400	0.3
195.02895	0.3
200.04724	0.2
201.05452	0.7
203.03366	0.7
204.04073	0.2
215.03401	0.2
217.04935	0.9
218.05727	0.5
219.02931	0.4
228.04202	1.7
229.04935	3.7
231.02888	0.4
243.06572	0.2
245.04465	1.1
246.05292	1.7
246.07715	0.3
255.06471	0.6
256.03714	0.3
257.04492	2.8
260.03262	0.6
261.07477	0.3
269.11060	0.2
270.16071	0.3
271.06165	0.3
273.03906	1.7
273.07437	0.4
274.04733	4.2
284.03278	0.7
285.03888	4.3
286.04596	0.2
298.15567	0.5
299.15884	1.0
301.03455	0.4
302.04211	14.3
313.70871	0.2
317.06549	100.0
318.06927	2.0
339.08630	0.3
358.22992	0.2
446.43607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01849	0.5
57.03441	1.1
61.02927	1.5
65.03934	0.4
69.03426	3.8
69.86449	0.8
70.06570	0.3
71.04977	0.5
72.08138	0.2
73.02905	0.6
79.05478	0.2
81.03417	2.5
81.07026	0.4
83.01337	0.3
83.04958	0.2
83.69991	0.1
84.08174	0.2
85.02904	11.4
87.04462	0.5
91.03949	0.6
92.02621	0.9
93.03422	1.2
95.04954	0.2
97.02297	0.2
97.02890	3.9
99.04446	0.7
105.03371	0.2
109.02870	1.4
111.04442	0.3
120.08112	0.3
121.02865	1.1
126.03145	0.4
127.03915	2.4
127.31477	0.1
133.02788	0.2
137.02374	0.2
139.03912	0.9
145.04951	1.7
151.03922	0.8
153.01825	8.7
154.02344	0.2
163.03949	0.2
165.01828	0.6
166.02663	0.1
179.03394	2.8
183.02861	0.3
197.04449	1.8
200.04700	0.3
201.05470	0.6
203.03400	0.6
211.03926	0.2
217.04948	1.0
218.05652	0.7
219.03040	0.3
228.04166	1.7
229.04951	3.9
230.05504	0.2
231.02789	0.7
233.04485	0.2
243.06520	0.1
245.04414	1.5
246.05215	2.0
247.02516	0.2
256.03699	0.3
257.04434	2.8
258.05640	0.2
260.03284	0.2
261.07520	0.3
271.06033	0.2
273.03912	1.9
274.04700	4.5
274.63095	0.2
275.05109	0.2
284.03241	0.5
285.03934	4.7
286.04553	0.3
288.06247	0.3
299.09146	0.6
301.03293	0.2
302.04202	14.3
303.04596	0.4
317.06543	100.0
318.06906	3.0
329.06497	0.5
332.11490	0.2
359.07544	0.3
383.07669	0.2
393.13391	0.4
479.17633	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93280	0.6
55.01878	1.1
55.05510	5.3
57.03424	1.0
57.07076	0.9
62.06066	0.7
67.05510	8.0
69.03436	1.0
69.07073	6.9
69.66434	0.5
69.87155	2.4
79.05496	3.0
81.03416	1.7
81.07062	9.3
83.08605	2.6
85.02889	0.6
85.05293	1.4
88.94642	0.6
91.05478	2.0
91.68568	0.6
93.07049	3.3
95.08624	5.6
97.10166	0.7
98.06058	9.5
98.20832	0.8
98.98440	1.4
105.07022	2.0
109.10151	2.8
112.07615	1.5
119.08591	1.1
121.10121	1.1
131.08560	0.7
133.10065	0.9
135.11691	1.0
161.13290	0.6
215.91023	0.7
218.95517	0.7
236.20088	0.7
306.27930	100.0
307.28348	3.5
324.28952	0.8
337.27301	5.6
434.49118	0.6
478.28912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47626	0.7
51.78159	0.7
53.03922	0.9
55.01868	1.1
55.05510	9.6
57.03425	2.3
57.07061	2.0
62.05802	1.2
62.06088	16.7
65.38160	0.6
67.05503	19.6
67.16213	0.7
69.07070	12.2
79.05137	0.7
79.05495	7.2
81.07056	16.9
83.04984	0.8
83.08623	4.6
85.05277	1.3
86.06081	1.1
91.05457	3.4
93.07050	6.4
95.04963	0.9
95.08596	10.4
97.06548	0.7
97.10166	1.6
98.06060	10.6
98.20765	1.3
98.98476	5.6
103.58379	0.8
105.07037	2.8
107.08588	3.5
107.38809	0.7
109.10162	4.5
112.07580	1.5
119.08621	1.1
121.10126	3.1
123.11704	1.8
124.01582	1.6
133.10129	1.3
134.90051	0.7
135.11652	1.0
144.60799	0.7
154.12192	0.8
155.01041	3.4
173.02106	1.6
198.05193	0.9
208.16966	1.2
216.06306	2.0
219.49965	0.8
232.93344	0.8
245.22525	1.8
263.23773	2.3
302.91827	0.9
306.27902	100.0
307.28360	5.4
310.75809	0.7
337.27353	46.7
338.27502	1.5
460.27820	1.2
478.29001	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2927
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
53.03931	0.6
55.01849	0.5
55.05510	11.9
57.03194	0.6
57.03439	6.9
57.07063	1.8
59.14502	0.4
62.06056	0.6
63.48970	0.4
65.03944	0.6
67.05505	25.2
67.63495	0.4
69.07069	16.1
69.73135	1.6
69.73542	0.8
71.04975	0.5
71.08613	0.5
75.64548	0.4
77.68108	0.4
79.05485	6.0
81.07057	25.3
82.07399	0.4
83.04995	1.1
83.08617	7.6
85.06554	0.6
91.05476	4.4
93.07040	7.7
95.04977	0.6
95.08607	19.2
97.06516	1.6
97.10159	3.4
98.06046	0.6
98.98457	0.5
105.07042	2.9
107.08585	3.0
109.10156	7.4
111.08062	0.7
119.08568	2.6
121.10143	2.9
123.08029	0.6
123.11736	2.5
133.10132	2.5
135.11671	1.5
136.56453	0.4
137.13237	1.2
147.11693	1.1
149.13289	0.7
161.13287	0.8
163.14812	0.7
163.74020	0.4
175.14853	0.6
216.06277	1.1
245.22466	0.7
263.23770	1.0
306.27896	7.1
337.27359	100.0
338.27713	5.0
353.46155	0.4
420.33566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72712	2.2
53.03930	9.4
55.01860	9.1
55.05510	13.6
57.03420	4.6
57.07071	14.7
61.02913	6.5
67.05496	4.7
68.99763	3.0
69.03085	3.2
69.03428	41.2
69.07066	91.4
70.66490	5.7
71.04976	5.8
72.42503	2.0
73.02895	4.2
79.05466	5.8
81.03413	25.9
81.07063	10.7
83.04937	2.8
83.08601	6.4
85.02902	100.0
85.06567	2.4
87.00819	46.4
91.05456	4.5
93.07056	9.7
95.04932	3.1
95.08598	14.5
96.59737	1.9
97.02318	2.2
97.02894	39.3
97.06516	7.4
97.10165	15.3
99.04447	13.3
99.11715	8.0
103.03949	3.0
105.01862	72.3
105.06984	2.6
107.08572	7.7
109.02136	2.9
109.02874	50.6
109.06551	1.9
109.10144	4.9
110.09709	2.4
111.08061	6.7
111.11711	26.2
117.01823	3.4
121.10145	13.2
123.11703	2.8
125.06004	2.9
125.09628	10.5
127.03913	69.7
129.01848	4.8
133.10124	2.2
135.11697	12.0
136.06166	5.0
137.13219	8.7
139.11174	35.0
145.03909	3.2
145.04945	28.3
147.02812	2.5
149.13228	2.4
159.02884	9.8
168.91052	2.1
175.92232	2.1
177.16371	38.8
195.13803	4.8
195.17438	70.7
213.03821	10.3
213.18498	52.0
231.05011	26.1
249.05904	5.8
279.11496	2.1
297.12262	3.6
302.04367	3.1
317.06622	11.3
435.20020	3.2
443.22583	8.4
479.19113	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57895	0.4
53.03939	1.8
55.01864	1.0
56.05023	0.4
57.03440	0.8
61.02917	0.4
64.96283	0.5
65.48551	0.4
67.05503	1.3
68.54408	0.5
69.03436	3.5
69.07041	0.6
70.06597	5.5
71.01349	0.4
71.04990	1.0
71.52715	0.4
72.08141	1.5
73.02912	0.6
74.69523	0.5
78.38572	0.5
79.05487	2.5
81.03422	3.2
81.07056	1.3
82.06566	0.9
83.04996	0.5
84.04442	0.5
84.08138	1.3
85.02909	8.5
86.09698	1.7
87.00833	3.0
88.07613	0.5
91.05470	2.8
93.07039	1.3
95.04960	2.0
97.02898	2.8
98.06033	0.6
99.04474	1.6
103.05462	2.1
105.01849	1.3
105.03374	0.9
105.07036	3.0
107.04958	27.0
107.08585	1.0
108.04494	1.0
109.02870	2.5
109.10177	0.7
110.07188	0.6
111.04464	0.7
111.08144	0.5
115.05472	2.0
117.07008	1.1
119.04913	1.1
120.05697	0.5
120.08124	0.9
123.04397	0.7
125.06015	0.5
126.05505	1.0
127.03908	4.7
127.08691	0.5
128.07076	4.2
131.08531	0.7
133.06470	0.5
135.08063	8.6
136.07523	0.6
137.05988	0.7
145.04959	1.4
147.04417	1.4
149.54539	0.6
151.03969	0.8
154.05032	0.8
154.06253	1.8
159.02884	1.0
162.05429	0.4
163.03799	0.5
163.07552	16.1
167.07048	14.3
172.07848	0.5
180.07816	2.2
195.02916	1.8
195.10176	100.0
196.03273	1.2
196.10458	1.0
207.06488	1.2
213.11253	1.5
229.11884	0.8
230.12285	0.5
248.07724	0.8
255.13676	0.9
256.14151	1.3
279.77411	0.5
298.15045	0.6
299.05545	0.6
316.02762	0.5
316.15842	0.6
317.06540	0.8
332.13849	0.6
365.53342	0.5
434.20828	0.5
478.19635	1.6
478.26584	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57895	0.4
53.03939	1.8
55.01864	1.0
56.05023	0.4
57.03440	0.8
61.02917	0.4
64.96283	0.5
65.48551	0.4
67.05503	1.3
68.54408	0.5
69.03436	3.5
69.07041	0.6
70.06597	5.5
71.01349	0.4
71.04990	1.0
71.52715	0.4
72.08141	1.5
73.02912	0.6
74.69523	0.5
78.38572	0.5
79.05487	2.5
81.03422	3.2
81.07056	1.3
82.06566	0.9
83.04996	0.5
84.04442	0.5
84.08138	1.3
85.02909	8.5
86.09698	1.7
87.00833	3.0
88.07613	0.5
91.05470	2.8
93.07039	1.3
95.04960	2.0
97.02898	2.8
98.06033	0.6
99.04474	1.6
103.05462	2.1
105.01849	1.3
105.03374	0.9
105.07036	3.0
107.04958	27.0
107.08585	1.0
108.04494	1.0
109.02870	2.5
109.10177	0.7
110.07188	0.6
111.04464	0.7
111.08144	0.5
115.05472	2.0
117.07008	1.1
119.04913	1.1
120.05697	0.5
120.08124	0.9
123.04397	0.7
125.06015	0.5
126.05505	1.0
127.03908	4.7
127.08691	0.5
128.07076	4.2
131.08531	0.7
133.06470	0.5
135.08063	8.6
136.07523	0.6
137.05988	0.7
145.04959	1.4
147.04417	1.4
149.54539	0.6
151.03969	0.8
154.05032	0.8
154.06253	1.8
159.02884	1.0
162.05429	0.4
163.03799	0.5
163.07552	16.1
167.07048	14.3
172.07848	0.5
180.07816	2.2
195.02916	1.8
195.10176	100.0
196.03273	1.2
196.10458	1.0
207.06488	1.2
213.11253	1.5
229.11884	0.8
230.12285	0.5
248.07724	0.8
255.13676	0.9
256.14151	1.3
279.77411	0.5
298.15045	0.6
299.05545	0.6
316.02762	0.5
316.15842	0.6
317.06540	0.8
332.13849	0.6
365.53342	0.5
434.20828	0.5
478.19635	1.6
478.26584	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25075	1.2
53.03939	4.6
55.01862	4.5
55.05515	1.6
55.31347	1.2
56.05008	1.2
57.03418	3.3
60.04525	1.4
61.02907	2.1
67.05487	1.4
68.99801	1.7
69.03432	14.8
69.23107	12.8
70.06589	11.5
71.04969	3.6
72.08160	2.8
73.02898	3.5
74.06071	1.6
78.47979	1.1
79.05495	1.8
81.03427	14.0
81.07056	2.4
84.08144	3.3
85.02906	39.3
86.09715	2.3
87.00836	13.5
87.87694	1.2
91.03987	1.4
91.05475	4.8
95.04962	4.9
97.02915	13.0
98.06149	1.3
99.04459	7.4
103.05460	3.3
105.01883	10.3
105.07034	2.6
107.04970	24.8
107.08604	1.5
108.04478	4.8
109.02870	14.2
111.04356	1.4
115.05500	2.0
117.01840	2.4
117.07039	1.4
120.08095	2.8
121.02850	3.3
121.06499	1.6
123.04395	2.2
126.05491	1.9
127.03922	23.7
128.07076	2.4
129.01851	1.6
129.10233	2.1
131.17528	1.2
135.08026	6.4
136.07585	1.3
137.05966	2.4
144.00452	1.2
145.04990	9.9
145.80232	1.1
147.04459	2.8
153.01714	1.4
153.09190	1.3
154.04955	3.1
159.02898	8.4
162.09125	1.7
163.07547	25.5
163.45447	1.1
164.06837	1.3
167.07048	63.7
177.05511	1.5
180.07849	2.3
181.08621	5.0
195.10201	24.7
206.15047	1.2
213.11224	100.0
214.11499	1.2
217.04980	1.4
219.02753	1.4
225.08986	1.5
231.04967	3.6
237.11247	3.9
248.07582	2.9
255.12184	1.5
274.04477	1.5
279.12201	2.2
285.11157	1.4
302.04224	1.6
303.12253	5.2
316.08261	2.0
316.11655	1.7
317.06494	16.7
321.13290	7.7
340.07993	2.5
358.09155	2.0
478.17035	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.394
Annotation	Hopane-6Beta,11Alpha,22,27-Tetraol
Peak:m/z	Relative Intensity
55.05508	11.8
55.47828	7.5
56.97960	6.6
60.99435	6.0
67.05495	28.6
69.07056	25.9
70.20428	11.9
70.20800	14.6
71.79585	6.1
72.80881	6.8
79.05484	14.6
81.07060	40.9
83.08611	9.5
87.93085	6.4
91.05482	14.1
91.32230	6.4
93.04864	7.1
93.07024	13.8
95.08608	100.0
97.10148	12.7
100.45644	6.4
105.07057	8.4
107.08585	26.2
109.10150	63.3
111.11663	7.8
113.09660	24.0
119.08543	11.0
121.10131	19.5
123.11708	17.5
135.11670	24.8
137.13249	12.4
141.09058	10.9
149.13257	17.6
152.16724	7.0
157.38084	7.7
177.16452	9.6
185.13005	6.2
191.17982	10.1
200.26428	9.2
205.19499	15.6
255.30312	8.5
282.49402	8.1
315.04178	7.4
394.36746	9.6
441.37149	9.3
459.38330	97.4
477.34052	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	477.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01870	1.0
55.05510	5.1
57.03425	1.3
57.07070	0.5
59.04988	0.6
64.60020	0.4
67.05508	11.0
68.05832	0.4
69.03429	2.6
69.07076	3.1
69.42127	3.0
70.06587	0.9
71.04981	0.6
75.52056	0.4
76.61391	0.4
79.05496	6.0
81.03427	3.3
81.06590	0.7
81.07062	9.8
83.04993	1.9
83.08617	3.3
84.96652	0.4
85.02895	1.0
85.06532	1.2
86.09700	0.5
91.05484	5.2
93.07041	5.9
94.07383	0.4
95.04971	3.9
95.07987	0.8
95.08608	14.1
95.51287	0.4
96.08937	0.5
97.02890	0.9
97.06542	1.0
97.10181	3.5
98.20852	0.5
99.04465	0.4
99.08065	0.4
103.05457	0.9
105.03410	0.4
105.07037	5.3
107.04983	2.3
107.08584	4.0
108.05775	0.8
108.08133	0.8
109.02888	0.9
109.06513	1.5
109.10160	11.0
110.07236	0.4
110.10515	0.4
111.04440	0.6
111.08098	1.2
111.11713	0.5
113.06010	0.4
113.09682	0.4
115.05458	0.7
117.07020	1.7
119.08597	3.1
120.04475	0.5
120.08114	0.4
121.02930	0.6
121.06561	2.0
121.10149	2.9
123.04462	0.6
123.08081	10.5
123.11706	5.9
125.09618	2.3
127.03912	1.5
128.06252	1.2
129.07018	2.0
131.04948	0.5
131.08580	2.6
133.06502	0.7
133.10107	2.4
135.04520	0.4
135.08054	2.0
135.11688	1.4
137.05988	0.9
137.09622	3.6
137.13225	0.6
138.09935	0.7
139.11198	0.5
141.06946	0.6
142.07828	0.4
143.08569	1.3
145.06467	1.4
145.10139	2.6
147.04378	0.6
147.08034	1.5
147.11674	1.5
149.09607	2.3
149.13258	0.8
150.09161	0.9
151.07547	100.0
152.07898	2.4
153.09171	0.4
155.08636	0.9
155.10683	1.5
157.10144	1.4
159.08133	1.7
159.11717	1.2
160.08427	0.5
161.05995	0.8
161.09653	3.3
162.05487	0.4
163.11191	1.3
163.14835	0.5
165.09123	14.5
165.12764	0.5
166.09444	5.5
167.07184	0.8
167.08432	0.4
167.09711	1.9
169.10094	1.0
171.08107	1.1
171.11699	1.1
173.09581	0.9
173.11731	1.0
173.13226	0.8
175.03793	0.4
175.07451	0.4
175.11188	4.1
175.14694	0.5
176.08350	0.4
177.09154	2.0
181.10150	0.5
183.10265	1.0
183.11739	0.6
185.09657	0.9
185.13284	0.4
186.09235	0.5
187.07387	0.4
187.11119	1.9
187.14830	0.6
189.09128	1.3
189.11226	1.1
189.12752	2.0
190.09747	0.6
191.10666	8.7
191.17865	0.5
193.12244	1.2
195.08121	0.5
195.11708	0.4
196.07539	0.7
197.09680	0.5
197.13286	0.8
199.11200	2.7
201.09113	1.9
201.11024	0.7
201.12865	0.5
203.10696	0.8
205.12247	4.7
205.13991	0.6
206.12646	0.6
211.11174	0.5
213.09134	0.8
213.12756	1.1
215.10661	0.5
215.14354	0.7
217.12297	0.8
219.13844	0.8
223.11192	0.5
223.13243	0.5
227.10593	0.6
227.12695	0.9
229.12216	0.5
231.10255	0.5
231.13725	0.7
233.15340	1.2
243.10155	1.1
243.17706	0.4
255.13809	3.9
267.15817	0.9
273.14801	3.5
274.07126	0.8
285.18478	0.7
287.20163	0.4
293.24716	1.0
297.14935	1.1
303.19553	3.6
309.12527	0.7
315.15915	1.1
339.23141	0.6
349.21671	1.6
357.24182	0.9
367.22629	3.0
385.23721	3.8
395.29333	2.8
403.24634	1.2
413.30576	4.0
431.31741	1.9
441.25739	0.8
459.26999	4.3
477.21115	1.8
477.28470	5.9
478.21875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	13.9
55.05512	62.0
57.03447	10.5
59.04984	2.3
65.03955	4.8
67.05505	55.1
69.03427	11.8
69.07074	19.8
69.30338	17.0
71.04993	4.1
75.81809	1.6
76.06281	1.9
79.05492	64.5
81.03427	18.1
81.06577	3.4
81.07055	49.6
83.04979	10.5
83.08148	2.7
83.08616	35.7
84.08097	1.8
85.02900	5.5
85.06533	5.3
91.05479	34.3
93.06483	2.5
93.07045	36.5
95.04974	25.0
95.08607	27.9
97.02892	3.0
97.06540	11.0
97.10171	49.4
103.05460	5.1
105.03367	2.3
105.07027	33.2
105.35437	1.6
107.04955	38.9
107.08597	34.5
109.02876	5.3
109.06508	13.8
109.10147	13.8
111.08105	4.0
113.06036	1.8
113.26803	1.9
115.05473	5.5
117.07024	19.4
119.04933	3.8
119.08569	19.2
121.06501	26.8
121.10138	12.2
123.04426	3.9
123.08066	13.0
123.11737	2.9
125.05947	3.1
125.09626	35.0
127.03900	3.1
128.06190	4.8
129.07008	15.2
131.04936	6.1
131.08568	21.7
133.06488	15.6
133.10115	13.8
135.08028	13.1
135.11688	7.1
137.05952	3.0
137.09590	5.2
141.07001	4.0
142.07706	1.9
143.08591	12.3
145.06502	22.2
145.10161	14.6
147.04402	6.3
147.08069	11.6
147.11694	10.4
149.06004	2.8
149.09627	5.9
149.13210	2.4
151.07466	2.8
153.09094	10.2
153.12682	3.4
155.08534	5.9
156.09294	2.2
157.06474	3.8
157.10170	11.9
159.08104	9.1
159.11681	6.3
161.05962	6.5
161.09615	6.4
161.13284	1.9
163.11169	6.8
165.05579	1.8
165.06981	3.2
165.09137	2.3
167.08566	2.2
169.10127	6.2
171.08086	5.8
171.10318	2.4
171.11647	11.5
173.06053	2.0
173.09601	7.4
173.13283	5.2
175.04004	1.8
175.07591	2.3
175.11198	7.3
175.14760	2.0
177.12735	5.7
181.10022	2.3
183.08110	3.2
183.11673	4.5
185.09633	6.9
185.13190	3.0
187.07492	3.0
187.11090	3.3
187.14807	5.3
189.09303	4.2
189.11208	25.5
189.12827	5.3
191.10751	3.1
193.12256	13.0
195.11734	5.8
197.09682	3.6
197.13280	5.8
199.11182	7.8
199.14865	2.4
201.09125	5.8
205.12222	3.9
207.06483	2.5
209.13307	3.1
211.11302	3.0
211.13182	3.3
213.12596	2.6
215.10704	2.1
215.14313	8.5
217.12225	6.1
219.13771	6.4
223.11250	3.1
223.13278	5.3
227.12578	4.7
231.13834	4.1
233.15373	16.4
237.12666	5.8
239.14345	2.5
241.14236	8.9
243.10059	2.4
243.13948	3.4
245.15388	4.0
249.14915	5.5
251.08153	1.9
255.13780	18.4
257.15390	3.0
259.13324	4.9
261.14963	2.0
267.15979	5.6
269.09171	2.5
271.16916	3.7
273.14902	26.0
275.16486	5.0
287.16290	2.5
291.15860	3.9
297.14709	3.5
315.15704	1.9
321.22226	2.2
329.21060	2.4
331.20367	3.1
339.23209	10.1
347.18341	2.4
349.21640	20.7
357.24194	13.0
367.22653	59.8
368.23111	2.0
373.23828	3.7
385.23721	100.0
386.24310	3.6
395.25827	2.2
403.24805	27.2
404.24930	2.6
405.24307	2.9
417.26505	12.4
423.25546	2.7
441.26266	8.5
443.12991	2.1
459.27408	71.6
477.21054	6.6
477.28290	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2844
Annotation	Lucidenic acid C
Peak:m/z	Relative Intensity
51.36570	3.3
54.34822	3.2
55.01863	9.6
55.05513	77.4
57.03423	9.2
67.05178	5.9
67.05509	70.7
69.03423	9.9
69.07076	23.7
70.14331	3.5
70.14664	18.7
70.82813	3.6
71.05001	4.7
79.05074	5.6
79.05494	81.2
81.03419	6.6
81.07063	67.9
83.04985	11.5
83.08624	46.3
85.06554	5.7
85.15601	3.3
91.05485	54.3
93.07055	43.0
95.04955	14.3
95.08613	22.4
97.06516	6.8
97.10168	74.0
98.06034	4.1
103.05452	9.5
105.07031	40.9
107.04939	14.3
107.08596	39.8
108.81108	3.3
109.06547	6.2
109.09476	3.8
109.10142	12.8
111.08061	5.7
115.05449	11.6
117.07011	36.4
119.04969	4.8
119.08566	18.8
121.06490	8.8
121.10184	8.6
123.08110	3.8
125.09630	56.9
128.06189	4.0
129.07008	19.7
131.04915	5.6
131.08574	40.3
133.06496	13.4
133.10106	14.7
135.08051	12.5
135.11647	5.8
138.95337	4.2
141.06987	11.4
143.08588	18.3
143.10587	3.9
145.06474	23.6
145.10100	20.1
147.08075	7.1
147.11688	6.9
149.09633	6.5
153.06845	3.8
153.09042	6.4
155.08563	14.1
157.06488	12.5
157.10138	10.3
159.08066	8.3
159.11691	9.9
163.11137	4.6
167.08571	8.0
169.10114	10.2
171.08087	6.4
171.10222	5.0
171.11636	7.2
172.71384	4.0
173.13155	5.6
175.11218	4.9
179.08467	4.6
181.10094	6.2
187.14845	7.8
189.11223	52.3
189.12758	6.7
195.08069	4.1
195.11809	5.9
197.13324	12.6
199.11183	8.4
213.12732	7.9
215.14333	40.5
225.12816	6.3
227.12762	25.3
231.13832	4.9
233.15358	17.4
259.13129	5.7
261.14645	4.6
271.17035	5.0
273.14676	8.5
304.26321	11.5
305.26657	53.6
321.22061	6.3
336.26111	12.6
339.23145	9.8
349.21548	19.4
357.24075	7.8
367.22699	44.3
385.23679	50.4
403.24625	37.0
430.41559	3.9
441.26126	14.3
459.27435	100.0
477.28375	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	477.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43154	3.2
53.03946	8.8
55.01865	9.5
55.05505	11.4
57.03428	6.5
57.07090	3.9
60.23583	2.8
61.02921	8.0
64.42514	2.6
67.05504	22.0
68.99793	4.6
69.03085	4.5
69.03429	51.2
69.07065	16.2
69.81529	12.2
70.06591	10.3
71.04997	16.7
72.08163	4.9
73.02933	6.0
79.05501	6.1
81.03426	34.6
81.07049	23.8
83.04980	6.8
83.08620	6.0
85.02908	100.0
85.06553	7.0
86.09715	4.2
87.00833	56.8
91.05476	10.0
93.07037	21.0
93.94154	2.9
95.04969	3.1
95.08608	40.6
97.02895	40.8
97.06496	6.7
97.10135	3.5
99.04462	25.4
99.08090	13.1
105.01871	58.3
105.02572	3.3
105.07074	8.3
107.08602	21.3
107.64045	3.0
108.56588	2.7
109.02886	39.8
109.06495	5.1
109.10156	46.8
111.08078	13.6
113.09618	6.0
115.03991	3.0
119.04941	3.7
119.08572	33.4
121.02880	3.7
121.10162	13.4
123.08022	3.1
123.11686	7.7
125.09644	4.6
127.03921	78.3
127.04829	5.4
128.58908	3.6
133.10123	29.9
135.11682	23.6
137.06000	5.2
137.09616	19.2
145.04982	20.5
145.09966	3.1
147.04431	5.1
147.11664	5.5
149.13289	8.0
151.11186	3.8
155.10634	5.5
159.02930	7.1
175.06297	4.0
175.14841	43.8
189.03842	4.4
193.15910	55.6
199.07578	3.0
201.09094	6.4
209.15407	8.3
210.15768	4.0
211.16954	67.8
212.38617	3.1
213.03885	8.0
228.16896	3.4
229.18036	21.3
230.11784	15.1
231.05078	16.3
243.10260	3.2
249.05861	3.4
255.13791	23.3
273.14700	4.2
297.07605	11.2
297.14810	6.0
309.07529	9.3
315.08539	18.5
327.08646	9.8
335.09161	3.8
339.08688	9.2
363.08325	3.4
367.11630	3.3
381.09647	5.9
409.97601	3.0
423.20065	4.0
441.11935	4.7
441.21228	7.9
477.21075	4.8
477.27875	3.2
478.17639	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	477.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01638	0.7
55.01874	9.8
55.05274	1.1
55.05511	14.7
57.03418	2.8
57.07055	1.6
59.04973	1.2
65.03924	1.4
66.85632	0.7
67.05503	15.9
69.03432	5.9
69.06754	0.7
69.07066	6.3
69.46512	1.5
69.46920	4.8
70.06564	0.8
71.04973	2.8
73.02924	1.9
76.59406	0.7
78.55717	0.7
79.05493	14.7
81.03423	10.7
81.06593	1.0
81.07056	15.6
83.04970	4.6
83.08613	6.2
85.02910	5.6
85.06550	4.8
91.04913	1.2
91.05473	12.9
93.06494	1.0
93.07044	12.3
95.04974	6.8
95.08610	9.4
97.02875	3.1
97.06509	2.0
97.10167	8.9
99.04487	0.7
103.05457	0.9
105.07026	10.2
107.04955	5.9
107.08591	9.3
109.02850	3.5
109.06496	3.1
109.10177	5.2
111.04430	1.9
111.08067	2.3
113.05983	0.8
115.03956	1.5
115.05446	2.5
117.07022	5.3
119.04913	2.1
119.08573	7.9
121.06493	5.9
121.10131	5.6
123.04433	1.1
123.08049	3.0
123.11678	2.2
125.05994	1.1
125.09639	7.2
127.03899	2.6
128.06209	3.7
129.07036	5.5
130.07771	1.2
131.04893	2.7
131.08580	8.2
133.06487	4.8
133.10149	5.3
135.04411	4.9
135.08089	3.8
135.11681	2.6
137.05962	1.2
137.09610	1.3
139.07497	0.9
141.06996	2.5
142.07745	2.4
143.08540	7.2
144.05679	0.9
145.06491	5.8
145.10135	5.5
147.04378	2.9
147.08049	6.3
147.11665	2.8
149.05946	1.7
149.09573	2.2
149.13223	1.5
150.09128	1.8
151.07552	5.1
153.09027	1.3
155.08545	3.7
157.06479	1.8
157.10138	5.7
158.07188	1.1
159.04431	6.4
159.08067	2.4
159.11690	2.9
161.05962	4.1
161.09622	3.9
161.13297	0.8
163.11156	3.2
165.09117	2.0
167.08501	1.6
169.10112	1.4
171.08058	8.5
171.11649	1.7
172.08788	2.0
173.05951	6.0
173.09653	5.7
174.06760	0.9
175.03917	0.9
175.07536	3.3
175.11163	3.0
177.05495	3.1
177.12746	1.1
181.10068	2.1
183.08017	3.6
183.11635	1.6
185.09619	8.1
185.13211	1.6
186.06789	4.1
187.07550	4.0
187.11201	2.6
187.14861	0.9
188.08255	1.1
189.05424	2.5
189.09094	13.4
189.11156	3.9
189.12634	1.3
191.10654	1.6
193.12253	3.0
194.10895	1.1
195.08017	2.3
195.11687	1.0
197.09576	1.8
198.06664	1.4
198.10481	1.1
199.07538	2.9
199.11168	2.9
200.08311	2.1
201.05530	5.5
201.09100	59.4
202.09464	1.0
203.07013	3.7
203.10663	6.9
205.08585	2.7
205.12190	0.8
209.09691	1.2
209.96257	0.8
213.09117	16.3
213.12596	1.6
214.09740	1.0
215.07086	2.0
215.10652	8.3
215.14209	1.3
217.08675	2.1
217.12256	1.3
219.10152	2.3
222.10365	2.0
223.11256	1.4
225.09096	2.4
225.12790	1.4
226.09796	1.0
227.10875	5.8
227.12746	2.8
227.14349	3.3
229.08614	1.7
229.12241	2.5
231.10147	8.2
231.13774	1.4
233.15399	4.4
237.10361	1.5
237.12727	6.2
240.11465	10.9
241.08624	1.2
241.12213	1.7
243.10158	37.9
244.10643	1.2
245.11708	7.5
247.09630	2.0
252.12428	1.2
253.12138	1.3
255.13799	100.0
256.14258	1.6
257.11667	1.8
257.15359	3.7
261.11240	3.0
267.11249	0.8
267.15952	2.1
269.12534	1.0
269.15329	5.6
271.13428	2.0
273.14844	41.6
274.15314	1.3
279.14023	1.3
281.12088	0.9
287.16299	1.4
291.15878	2.5
295.10135	1.0
297.12244	1.4
297.14859	39.7
298.15146	0.8
299.16354	1.6
313.14493	1.4
315.15897	21.6
325.11749	1.7
333.16974	1.0
339.23285	1.1
340.13721	2.9
349.21533	2.9
357.24216	1.3
367.22610	8.3
385.23639	15.2
387.17728	0.8
403.24722	4.5
423.17767	1.0
441.19110	2.6
441.26288	1.3
459.20062	17.6
459.27362	14.6
462.20197	2.2
477.21170	73.6
477.28394	17.9
478.21466	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	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.05507	7.3
57.03438	6.1
57.07072	0.9
62.06076	1.0
65.03936	1.3
67.05505	31.1
69.07069	8.0
70.00468	1.4
70.00857	1.8
71.04972	0.7
79.05074	0.9
79.05494	13.8
81.07056	23.9
83.08611	2.9
85.06561	1.0
91.05067	0.6
91.05493	7.2
93.07050	14.5
95.04964	1.8
95.08604	18.6
97.06529	0.8
97.10196	0.9
98.06077	0.7
98.98442	1.2
105.07011	3.2
107.08596	6.8
109.06529	0.9
109.10159	7.3
114.01254	0.6
114.19249	0.7
117.07034	1.1
119.08575	3.4
120.22715	0.6
121.10133	5.7
123.11711	2.2
126.81529	0.7
131.08594	1.8
133.10138	1.6
135.11691	2.7
145.10124	1.2
147.11665	0.9
149.13278	1.4
161.13350	1.1
173.13225	0.7
176.51155	0.6
198.71477	0.8
226.06969	0.7
261.22345	1.1
271.67218	0.8
304.26361	6.8
335.25800	100.0
336.26065	3.1
347.37994	0.8
352.67484	0.7
429.74820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2117
Annotation	Platyphylloside
Peak:m/z	Relative Intensity
53.03935	2.4
55.01638	0.7
55.01874	9.8
55.05274	1.1
55.05511	14.7
57.03418	2.8
57.07055	1.6
59.04973	1.2
65.03924	1.4
66.85632	0.7
67.05503	15.9
69.03432	5.9
69.06754	0.7
69.07066	6.3
69.46512	1.5
69.46920	4.8
70.06564	0.8
71.04973	2.8
73.02924	1.9
76.59406	0.7
78.55717	0.7
79.05493	14.7
81.03423	10.7
81.06593	1.0
81.07056	15.6
83.04970	4.6
83.08613	6.2
85.02910	5.6
85.06550	4.8
91.04913	1.2
91.05473	12.9
93.06494	1.0
93.07044	12.3
95.04974	6.8
95.08610	9.4
97.02875	3.1
97.06509	2.0
97.10167	8.9
99.04487	0.7
103.05457	0.9
105.07026	10.2
107.04955	5.9
107.08591	9.3
109.02850	3.5
109.06496	3.1
109.10177	5.2
111.04430	1.9
111.08067	2.3
113.05983	0.8
115.03956	1.5
115.05446	2.5
117.07022	5.3
119.04913	2.1
119.08573	7.9
121.06493	5.9
121.10131	5.6
123.04433	1.1
123.08049	3.0
123.11678	2.2
125.05994	1.1
125.09639	7.2
127.03899	2.6
128.06209	3.7
129.07036	5.5
130.07771	1.2
131.04893	2.7
131.08580	8.2
133.06487	4.8
133.10149	5.3
135.04411	4.9
135.08089	3.8
135.11681	2.6
137.05962	1.2
137.09610	1.3
139.07497	0.9
141.06996	2.5
142.07745	2.4
143.08540	7.2
144.05679	0.9
145.06491	5.8
145.10135	5.5
147.04378	2.9
147.08049	6.3
147.11665	2.8
149.05946	1.7
149.09573	2.2
149.13223	1.5
150.09128	1.8
151.07552	5.1
153.09027	1.3
155.08545	3.7
157.06479	1.8
157.10138	5.7
158.07188	1.1
159.04431	6.4
159.08067	2.4
159.11690	2.9
161.05962	4.1
161.09622	3.9
161.13297	0.8
163.11156	3.2
165.09117	2.0
167.08501	1.6
169.10112	1.4
171.08058	8.5
171.11649	1.7
172.08788	2.0
173.05951	6.0
173.09653	5.7
174.06760	0.9
175.03917	0.9
175.07536	3.3
175.11163	3.0
177.05495	3.1
177.12746	1.1
181.10068	2.1
183.08017	3.6
183.11635	1.6
185.09619	8.1
185.13211	1.6
186.06789	4.1
187.07550	4.0
187.11201	2.6
187.14861	0.9
188.08255	1.1
189.05424	2.5
189.09094	13.4
189.11156	3.9
189.12634	1.3
191.10654	1.6
193.12253	3.0
194.10895	1.1
195.08017	2.3
195.11687	1.0
197.09576	1.8
198.06664	1.4
198.10481	1.1
199.07538	2.9
199.11168	2.9
200.08311	2.1
201.05530	5.5
201.09100	59.4
202.09464	1.0
203.07013	3.7
203.10663	6.9
205.08585	2.7
205.12190	0.8
209.09691	1.2
209.96257	0.8
213.09117	16.3
213.12596	1.6
214.09740	1.0
215.07086	2.0
215.10652	8.3
215.14209	1.3
217.08675	2.1
217.12256	1.3
219.10152	2.3
222.10365	2.0
223.11256	1.4
225.09096	2.4
225.12790	1.4
226.09796	1.0
227.10875	5.8
227.12746	2.8
227.14349	3.3
229.08614	1.7
229.12241	2.5
231.10147	8.2
231.13774	1.4
233.15399	4.4
237.10361	1.5
237.12727	6.2
240.11465	10.9
241.08624	1.2
241.12213	1.7
243.10158	37.9
244.10643	1.2
245.11708	7.5
247.09630	2.0
252.12428	1.2
253.12138	1.3
255.13799	100.0
256.14258	1.6
257.11667	1.8
257.15359	3.7
261.11240	3.0
267.11249	0.8
267.15952	2.1
269.12534	1.0
269.15329	5.6
271.13428	2.0
273.14844	41.6
274.15314	1.3
279.14023	1.3
281.12088	0.9
287.16299	1.4
291.15878	2.5
295.10135	1.0
297.12244	1.4
297.14859	39.7
298.15146	0.8
299.16354	1.6
313.14493	1.4
315.15897	21.6
325.11749	1.7
333.16974	1.0
339.23285	1.1
340.13721	2.9
349.21533	2.9
357.24216	1.3
367.22610	8.3
385.23639	15.2
387.17728	0.8
403.24722	4.5
423.17767	1.0
441.19110	2.6
441.26288	1.3
459.20062	17.6
459.27362	14.6
462.20197	2.2
477.21170	73.6
477.28394	17.9
478.21466	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	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.05508	12.7
57.03436	4.9
62.06094	35.3
62.75378	1.9
67.05504	33.8
67.78652	2.0
69.07063	9.8
70.06532	9.1
78.49058	1.8
79.05493	22.4
81.07054	32.9
83.08621	4.6
91.05464	13.2
93.07043	30.5
93.09480	2.2
95.08607	21.2
97.10141	2.3
98.06083	2.4
98.20840	3.4
98.98451	8.4
103.05575	1.9
105.07040	8.1
107.08603	10.0
109.10153	6.6
111.08024	1.9
119.08590	6.3
121.10138	9.9
131.08586	4.1
133.10127	6.4
135.11682	4.8
145.10091	3.9
147.11642	3.4
149.13300	2.8
149.58179	1.9
155.01085	3.4
216.06375	3.4
261.22150	6.5
304.26315	14.4
335.25797	100.0
336.26074	2.6
458.27020	2.3
476.27469	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	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.2
62.06100	1.1
67.05508	12.2
69.07062	4.4
69.23952	5.9
70.96705	0.6
79.05521	4.2
80.42680	0.7
81.07066	10.0
81.19893	0.6
83.08599	1.3
85.05277	2.6
86.06046	1.0
91.05491	1.9
93.07057	4.6
95.08611	8.0
98.06059	11.2
98.21544	1.1
98.98455	2.4
105.07059	1.1
105.60699	0.7
107.08569	1.7
109.10142	3.0
112.07620	1.4
121.10122	1.1
133.56938	0.6
135.11629	0.7
140.10692	0.9
162.96339	0.7
192.90233	0.7
196.16840	0.7
208.16978	1.6
222.18376	1.0
304.26346	100.0
305.26663	3.7
335.25815	1.9
353.13596	2.3
354.13885	5.6
476.17688	2.3
476.28107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63763	0.6
53.03932	0.7
53.64331	0.6
55.01869	1.3
55.05512	2.1
65.35842	0.6
66.27379	0.7
67.05499	1.6
68.99794	0.7
69.03438	5.4
69.07065	2.3
69.71859	1.6
69.72287	2.7
71.04994	3.3
73.02915	1.2
79.05470	1.5
81.03427	4.2
81.07060	7.6
83.08615	1.1
85.02906	15.5
85.03383	1.4
87.00844	5.9
91.05485	3.0
92.73708	0.9
93.07038	5.2
95.08609	12.3
97.02897	5.1
99.04466	2.6
99.08096	6.0
105.01856	7.3
105.07032	7.9
107.08598	9.3
109.02891	5.3
109.10157	2.1
113.09658	1.6
117.06922	0.7
119.08580	55.9
120.08922	1.5
121.10143	1.5
123.11703	5.3
127.03922	10.0
131.08559	1.0
131.50533	0.7
133.10130	100.0
134.10466	1.6
135.11687	19.1
137.09590	1.4
145.04935	4.4
145.10263	0.8
147.11702	2.3
159.02913	2.4
175.14827	95.1
176.15170	2.5
193.15886	23.2
211.16928	22.9
212.17261	1.1
231.05029	1.6
243.10234	0.9
249.05986	1.1
255.13847	1.2
280.66827	0.7
303.43011	0.6
453.53531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48069	6.2
53.03953	10.0
55.01870	9.6
55.05507	18.6
58.31518	5.4
61.02925	6.0
63.09471	5.5
67.05499	16.5
69.03433	37.3
69.07056	20.1
69.13853	6.2
69.98451	29.5
70.06592	12.9
70.61556	6.6
71.04980	7.2
72.99660	5.4
79.05489	15.4
81.03415	38.6
81.07073	17.4
83.04951	10.6
83.08619	11.8
85.02904	100.0
86.06080	14.5
87.00848	40.8
91.05479	10.7
93.07037	11.0
95.08607	49.8
97.02883	42.6
97.79202	6.0
99.04444	11.4
99.08159	7.3
105.01859	61.6
105.03383	7.6
105.07061	13.5
106.74224	6.6
107.04937	7.2
107.08586	11.6
109.02873	45.6
109.06531	11.4
109.10164	61.4
119.08582	35.9
121.06536	6.0
121.10142	23.4
123.08067	20.1
123.11695	9.2
125.09664	7.9
127.03883	62.1
130.14395	7.3
131.08539	9.5
133.10156	35.5
135.11673	59.7
137.09608	37.0
139.11134	12.0
144.10207	26.4
145.04968	25.7
145.10445	8.8
147.11630	6.8
149.13266	13.5
151.07571	12.0
154.00423	6.5
154.08582	8.1
157.10100	6.5
159.03006	8.5
165.09135	12.2
175.14742	52.4
189.09128	8.0
191.88547	7.5
193.15909	62.0
211.16968	22.7
213.03955	7.2
227.48839	6.1
228.06592	7.5
231.05011	18.3
246.33551	6.4
255.13759	12.0
299.05478	14.1
315.08588	28.3
330.63226	6.9
405.19009	7.5
423.20166	15.3
444.33176	8.3
476.36096	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	476.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68353	0.7
53.03931	1.9
55.01864	2.1
55.05510	3.7
56.10008	0.7
57.03423	0.6
59.13149	0.6
60.18882	0.7
61.02889	1.0
65.03931	0.8
67.05494	4.1
68.99776	1.2
69.03429	4.3
69.07056	2.2
70.06586	1.2
71.04994	4.2
73.02912	1.3
79.05499	3.4
81.03410	5.0
81.07056	8.6
83.04981	1.0
83.08605	1.4
84.08137	1.8
85.02903	10.0
85.06530	1.5
86.06049	2.3
86.09690	1.0
87.00818	4.9
87.39730	0.7
91.05451	5.2
93.07043	10.4
95.04969	2.8
95.08609	9.5
97.02896	4.5
97.06520	2.8
97.10136	0.9
98.20746	1.7
99.04446	2.6
99.08046	0.8
105.01872	5.6
105.03384	1.6
105.07041	10.3
107.08596	18.9
109.02905	4.7
109.06509	2.2
109.10133	4.5
113.09661	0.7
115.05376	0.7
117.06993	1.3
119.08578	25.8
121.10119	2.7
123.08060	2.6
123.11726	5.4
127.03901	9.1
127.07534	0.8
131.08553	1.5
133.10127	75.8
134.06041	1.3
134.10475	1.9
135.11690	53.5
136.11990	1.2
137.06075	0.7
137.09634	2.6
145.04945	4.1
145.10136	1.2
147.11661	3.3
149.09561	0.9
149.13240	2.0
151.07547	1.5
151.11180	0.8
154.08638	1.0
157.10161	0.9
159.02924	2.9
159.11617	0.9
161.09615	0.7
165.09074	1.5
167.07004	0.8
171.08119	0.6
173.09610	1.1
173.13254	0.9
175.03944	1.4
175.14822	100.0
176.07050	0.9
176.15179	2.9
177.09157	0.8
181.05000	0.7
185.13202	0.9
189.09216	0.9
193.15884	85.8
194.16209	1.1
201.09096	1.1
209.15343	1.0
210.15692	1.5
211.16937	19.9
227.16312	0.9
228.16853	1.0
231.04974	2.4
243.98068	0.7
249.05997	1.3
255.13838	3.3
303.75717	0.8
315.15887	0.9
476.19980	1.1
476.26425	1.6
477.20850	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.6
57.07079	1.6
67.05508	7.0
69.03401	1.4
69.07070	7.9
69.24675	2.9
69.25079	8.9
71.05015	1.7
79.05501	2.3
81.07053	14.9
83.04966	1.8
83.08621	4.7
85.06511	2.6
93.07043	7.6
95.08606	26.5
97.10159	2.8
98.21529	2.6
101.06053	1.2
105.07042	4.1
107.08595	22.1
109.10159	25.2
111.11781	2.6
119.08566	3.6
119.46059	1.0
121.10149	8.6
123.11702	4.1
124.94732	1.0
125.09620	24.0
131.08539	1.2
131.91209	1.0
133.10153	3.2
135.11673	5.4
137.13269	3.8
139.28664	1.2
143.10663	3.0
147.11705	1.5
149.13263	3.7
153.09125	5.1
159.11751	2.5
161.13210	2.3
163.11198	1.2
163.14853	3.6
171.10165	100.0
172.10515	2.2
175.14868	2.0
177.16402	1.9
189.16417	1.3
191.17912	2.6
197.11748	1.5
205.19481	6.9
217.19702	1.6
231.21074	1.5
239.16446	1.6
263.06549	1.1
268.25891	1.1
287.27292	3.3
363.17050	1.5
387.32422	1.3
439.35443	1.6
457.37253	6.0
475.32086	10.7
475.37967	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	476.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
53.42449	2.3
55.01874	14.0
55.05500	3.7
57.03427	6.0
60.04511	5.0
60.95318	2.6
61.02921	7.9
68.05790	2.4
69.03433	20.3
69.07073	3.2
70.06588	44.3
71.04990	5.9
72.08152	18.0
73.02901	7.2
74.06086	11.5
78.95271	2.4
79.05476	3.8
81.03412	11.3
81.07030	3.5
82.06568	3.6
83.04993	3.9
84.04510	9.8
84.08135	12.5
85.02894	34.9
86.09697	26.4
87.00823	4.2
87.04426	5.4
89.06026	5.9
91.05475	7.9
95.01328	41.5
95.04971	12.5
95.08591	3.2
97.02853	18.6
98.06064	2.9
99.04460	4.9
101.06052	2.8
101.07145	3.8
102.05543	4.1
103.03929	10.9
103.05455	4.8
105.03409	4.4
105.07040	16.8
107.04955	7.7
109.02869	12.9
110.07133	4.7
112.07706	2.5
115.03941	3.0
115.05412	6.8
116.07093	32.9
117.01847	4.6
117.07017	7.8
119.04954	18.8
119.08562	3.3
121.02848	14.3
121.06496	5.4
123.04428	67.5
124.07612	2.7
125.02286	3.2
127.03893	15.8
128.07076	7.0
129.06938	3.4
129.10229	6.3
131.04932	22.8
131.08534	3.8
133.06490	58.4
136.07558	5.6
138.05545	2.8
140.07025	3.4
144.10109	3.2
145.04889	3.7
145.05157	4.0
145.06483	76.5
147.04405	87.1
147.07904	4.1
148.04733	3.6
149.05966	10.8
150.05429	3.2
152.07076	4.7
154.05023	3.8
155.06062	4.5
157.06453	16.3
158.38307	3.0
159.04364	6.3
159.07964	10.4
161.05972	53.1
163.03955	3.5
163.07457	3.2
164.07053	3.9
165.05457	23.4
167.07013	11.2
169.06483	10.2
171.04387	14.3
171.08072	5.6
173.05980	100.0
175.03918	13.0
175.07576	9.3
177.05470	8.0
183.06754	2.8
185.05960	24.0
187.07501	15.2
187.14418	8.9
189.05476	25.7
191.07120	16.1
193.04910	3.6
193.08632	12.9
197.05977	38.3
199.07567	15.9
201.05467	25.1
207.06514	9.5
215.07014	71.0
215.13858	3.7
216.07442	3.4
217.05002	5.0
217.08542	3.0
219.06522	90.4
220.06825	4.8
228.12335	7.5
231.06540	9.2
233.08070	35.5
237.07599	6.8
243.06500	53.6
261.07587	89.9
262.07968	4.5
279.08609	66.4
308.06378	3.0
338.07452	6.4
423.18265	3.2
458.11914	3.0
476.16800	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01858	0.4
55.05513	2.1
57.03429	0.3
57.07063	0.3
65.03942	0.4
67.05507	4.5
69.03416	1.0
69.07068	2.5
70.06297	0.4
70.06715	0.8
71.04977	0.8
77.03923	0.2
79.05492	2.0
81.03423	1.2
81.07063	7.1
82.03753	0.3
83.04965	0.9
83.08619	1.3
84.04510	0.5
85.02914	0.5
85.06535	0.3
85.10202	0.2
91.05479	2.6
93.07054	2.8
95.04974	1.1
95.08613	6.8
97.02905	0.3
97.06544	0.4
97.10174	0.9
99.04498	0.2
101.06000	0.3
105.03394	0.5
105.07039	1.2
107.04949	1.1
107.08578	2.2
109.02866	0.4
109.06519	0.6
109.10162	7.5
111.08070	0.3
111.11706	0.5
113.09652	0.2
115.05465	0.3
116.07194	0.2
117.06949	0.5
119.05083	0.2
119.07785	0.4
119.08575	3.7
120.04603	0.2
121.06487	0.9
121.10164	1.6
122.07291	1.7
123.08081	0.6
123.11728	1.6
125.06017	0.3
125.09616	0.5
127.03923	0.4
127.11219	0.3
129.07048	0.4
129.09117	0.2
131.08601	1.1
133.10121	0.7
135.08031	0.7
135.11684	1.1
137.05980	0.3
137.09622	12.2
137.13223	0.6
143.08582	0.5
145.06511	0.3
145.10133	0.6
147.08022	0.4
147.11688	0.4
149.09615	3.4
149.13252	1.1
150.09132	0.3
151.07544	0.8
151.11201	0.3
151.14809	0.7
153.09082	0.4
155.08582	0.3
157.10156	0.3
159.11691	0.6
161.05992	0.4
161.09653	0.4
161.13231	0.5
163.07562	0.4
163.11171	0.9
163.14809	0.5
165.09120	100.0
166.09445	1.3
167.07100	0.4
167.08598	0.3
173.09628	0.6
173.13216	0.3
175.07552	0.4
175.11185	0.6
175.14952	0.2
177.09108	1.6
177.12733	0.4
179.10689	0.9
179.14252	0.3
183.11618	0.4
185.13243	0.4
187.11212	0.6
189.09059	0.6
189.11150	0.3
189.12802	0.4
190.10011	0.5
191.10690	0.6
193.12234	0.5
201.09216	0.2
203.10709	1.1
203.14299	0.3
205.12251	6.0
213.12529	0.2
227.12788	0.9
259.24121	0.3
271.13419	0.4
277.25378	0.4
289.14307	0.4
314.65988	0.3
323.25940	1.4
355.22510	0.3
383.22147	1.2
390.92081	0.3
401.22934	0.4
411.32379	0.4
429.33490	1.3
439.31943	0.5
457.25726	1.0
457.32629	0.4
475.26917	2.2
475.34058	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01857	2.8
55.05509	7.9
57.03158	1.1
57.03434	20.3
57.07072	47.0
58.07387	1.0
59.04981	1.0
61.02925	56.0
61.67017	0.9
65.43179	0.9
66.51482	1.0
67.05499	15.1
69.03426	23.4
69.07066	11.6
70.40009	0.8
71.01341	3.1
71.04990	2.9
71.08235	1.9
71.08627	37.0
71.09652	1.0
73.02917	27.0
75.04459	2.7
75.55462	0.9
78.77590	0.8
79.05477	3.1
81.03415	18.0
81.07052	23.0
83.04968	2.7
83.08618	14.0
85.02903	56.4
85.06548	1.2
85.10178	17.0
87.04448	1.9
91.03953	37.4
91.05445	1.3
93.07037	3.3
95.04945	2.0
95.08606	29.3
97.02888	44.7
97.10180	7.4
99.04453	10.3
99.11706	1.4
101.02386	11.8
103.03912	7.3
103.07605	1.4
105.07034	1.7
107.04944	1.0
107.08579	2.6
109.02869	10.2
109.10154	17.8
110.42291	0.8
111.04414	1.7
111.11704	2.0
115.03898	5.0
117.05471	4.1
119.08591	1.3
121.10079	1.4
123.11682	6.4
125.13247	2.3
127.03916	20.7
129.05467	3.5
137.13217	3.1
141.05446	1.4
145.04962	8.8
145.10117	1.3
146.36775	0.9
147.11636	1.0
149.13174	1.1
151.14801	2.1
159.06537	2.8
165.16356	1.5
183.06517	5.4
201.07594	4.9
221.22583	1.7
239.23694	27.7
247.31102	1.0
257.24683	3.9
275.22858	1.1
287.87854	1.0
310.29260	0.9
313.27353	100.0
314.27692	3.4
341.26913	4.7
343.91000	0.9
355.28326	2.1
397.29761	1.1
407.45682	1.0
457.31647	6.9
475.32660	19.4
476.33432	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.2
55.01859	3.4
55.05508	27.0
57.03436	8.7
57.07067	4.3
59.04989	2.2
63.27482	2.0
65.03936	5.4
67.05503	88.4
69.03413	3.2
69.07063	30.3
71.04970	3.9
71.08599	2.0
71.52562	2.8
79.05493	82.8
81.03423	9.6
81.07055	95.0
83.04977	14.1
83.08622	15.1
85.06532	6.0
91.05478	62.7
93.07042	87.4
93.07642	3.3
95.04970	20.1
95.08602	42.2
97.06530	13.1
97.10145	5.5
99.08097	3.3
105.04484	2.1
105.07027	33.7
107.04920	5.1
107.08586	39.8
108.08895	1.8
108.64227	1.7
109.06509	6.5
109.10155	15.0
111.08073	7.6
117.07010	12.6
119.08578	25.6
121.06523	4.7
121.10152	20.2
123.08084	6.1
123.11689	6.5
128.06221	3.6
129.07001	14.5
131.08598	13.4
133.10127	17.5
135.08110	4.0
135.11682	13.8
137.09613	3.0
139.11124	2.3
143.08537	8.3
145.10120	10.8
147.11673	32.7
149.09633	4.9
149.13280	22.1
155.01097	2.1
157.10036	2.9
159.11732	14.7
161.09680	5.0
161.13239	11.1
163.11183	4.1
165.09105	29.5
171.11691	19.7
173.13277	3.5
177.09087	3.2
177.12730	7.8
179.14268	2.4
189.12714	10.8
191.10620	2.5
195.13831	6.5
201.16168	1.9
205.12221	6.6
207.13815	22.8
225.14699	3.5
235.28679	2.1
254.01979	2.1
269.17551	2.6
278.00925	2.3
281.17233	2.1
339.08383	5.6
429.33496	3.3
475.31354	100.0
476.32089	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	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.1
55.01849	0.1
55.05489	0.2
57.03426	0.1
67.05498	0.4
69.03425	0.7
69.07055	0.4
70.06596	0.4
70.32771	0.1
70.33146	0.1
71.04975	0.3
72.08137	0.2
73.02916	0.1
74.06062	0.1
79.05473	0.2
81.03420	0.4
81.07044	0.5
83.04977	0.4
83.08595	0.1
84.04495	0.1
84.08125	0.2
85.02900	0.9
85.06519	0.2
86.09695	0.6
87.00829	0.3
87.80030	0.1
91.05470	0.3
91.86163	0.1
93.07056	0.3
95.04959	0.2
95.08614	0.4
97.02884	0.3
97.06510	0.2
98.20799	0.1
99.04462	0.4
99.08073	0.2
101.06011	0.1
104.05299	0.1
105.01857	0.2
105.03391	0.1
105.07034	0.4
107.08605	0.5
108.08058	0.1
109.02849	0.5
109.06509	0.3
109.10150	2.1
110.07171	0.1
111.08064	0.2
113.05920	0.1
117.07026	0.1
119.04907	0.1
119.08575	0.2
120.08108	0.1
121.02829	0.2
121.06532	0.1
121.10170	0.5
123.08054	0.4
123.11684	0.2
124.07600	0.1
125.09615	0.3
127.03887	0.5
127.07565	0.1
127.11172	1.0
131.08582	0.2
133.10112	0.7
135.08064	0.3
137.06021	0.1
137.09573	0.2
137.13219	0.1
138.09186	0.1
139.11162	0.2
145.04955	0.3
145.10194	0.1
147.11690	0.1
149.05948	0.1
149.09628	0.4
149.13260	0.2
151.03908	0.1
151.11192	0.3
153.09081	0.2
155.48042	0.1
159.02866	0.1
162.05551	0.2
163.14822	0.2
164.07019	0.1
165.05409	0.1
166.08669	0.1
167.06996	0.1
169.12291	0.1
173.13179	0.4
175.03915	0.1
175.91956	0.1
178.15944	0.1
181.05016	0.1
183.13715	0.1
187.14507	0.1
191.14325	0.6
201.12337	0.3
207.06482	0.2
209.15376	1.8
225.14732	0.1
227.16440	0.9
235.35503	0.1
247.12869	0.1
287.05551	0.2
313.07077	0.2
457.31140	0.5
457.36624	0.1
475.32501	100.0
476.32956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.3
55.01870	8.4
55.05512	13.3
57.03432	4.0
57.07080	4.4
59.04997	2.0
67.05502	17.9
68.99798	2.4
69.03424	16.5
69.07069	26.8
70.06596	6.1
71.04984	5.9
71.08612	2.0
71.52452	2.0
72.08151	2.5
73.02921	3.2
79.05496	10.8
81.03409	17.9
81.07057	39.1
83.04976	5.9
83.08625	9.7
84.08159	3.1
85.02905	23.9
85.06540	8.2
86.06067	5.8
86.09722	2.0
87.00830	9.1
91.05478	9.9
93.07051	15.6
95.04969	9.1
95.07996	2.4
95.08608	45.0
97.02892	11.5
97.06529	7.2
97.10174	7.6
99.04458	13.7
99.08112	1.7
105.01878	5.3
105.03378	8.3
105.07031	11.2
106.03699	2.2
107.04947	4.0
107.08602	24.1
109.02856	12.9
109.06538	6.6
109.10161	18.6
110.06917	1.5
110.25896	1.5
111.04458	3.8
111.08073	5.7
111.11687	2.8
113.06001	6.9
113.09663	1.8
117.07025	2.8
119.08598	10.6
121.02901	5.6
121.06503	4.8
121.10143	20.0
122.03268	2.0
123.08071	6.5
123.11714	12.2
125.05952	2.4
125.09627	5.3
127.03922	16.8
127.11188	3.5
129.07059	3.0
131.08531	7.7
133.06445	2.0
133.10136	16.1
135.04453	1.9
135.08083	7.4
135.11699	15.2
136.06245	1.9
137.05997	3.5
137.09633	5.0
137.12221	1.9
137.13258	38.0
137.14259	2.8
139.07538	15.4
139.11195	3.5
141.09117	3.6
143.08542	4.0
144.10205	9.3
145.04942	4.0
145.06493	2.4
145.10274	6.8
147.04393	2.0
147.08034	5.3
147.11700	7.3
149.09639	4.6
149.13248	10.5
151.03973	2.0
151.07568	12.9
151.11142	3.3
153.09114	6.1
157.10176	2.0
159.02950	3.2
159.11716	2.7
161.05980	2.3
161.09621	2.1
162.09183	2.9
163.09575	1.6
163.11194	1.8
163.14807	6.4
165.09132	14.4
165.12802	2.3
167.07167	3.8
167.14304	2.1
170.27779	1.6
171.08099	1.9
173.09705	2.7
173.13219	9.7
175.07504	2.1
175.11176	2.0
175.14865	4.3
177.09062	2.5
178.08633	2.4
179.08827	2.1
191.10722	3.8
191.14294	16.4
191.17981	4.0
193.12202	1.7
193.15936	3.4
194.07149	2.1
194.09685	3.5
199.11095	2.0
205.12291	3.2
207.06508	2.0
209.09692	11.2
209.15361	46.8
209.19017	5.5
210.15712	2.6
227.07060	5.1
227.16414	100.0
228.16750	1.9
253.12398	1.7
261.07813	1.7
269.15436	2.3
353.20615	2.7
354.44009	1.6
355.22498	1.9
376.23923	2.1
377.13318	2.7
383.22192	3.9
401.23090	2.4
457.25726	3.6
475.15320	2.4
475.21045	2.2
475.26447	7.0
475.32483	11.6
476.15353	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	3.5
53.03945	6.2
55.01864	5.5
55.05506	7.5
55.91832	3.3
56.05026	3.9
57.03423	6.6
59.04997	3.6
61.02911	5.0
67.05505	9.0
69.03436	19.5
69.07079	4.9
69.75198	8.0
69.75603	13.7
70.06579	16.7
71.04984	16.1
72.08138	8.7
73.02926	5.5
79.05497	7.5
81.03407	20.3
81.07047	9.7
83.04961	6.0
84.08125	7.7
85.02916	36.9
85.06553	8.2
86.09721	18.5
87.00819	13.2
91.05479	8.9
93.07043	14.7
95.04966	50.1
95.08619	11.4
97.02908	12.4
97.06535	10.8
98.21427	5.3
99.04450	27.3
99.08083	9.6
101.06010	4.9
105.01846	6.9
105.03397	14.7
105.07037	15.7
107.08589	17.7
109.02879	14.4
109.06528	8.2
109.09524	5.1
109.10160	32.2
110.09690	8.3
111.04407	3.7
111.08107	6.1
119.08598	6.9
120.08090	4.1
121.02866	5.5
121.10143	13.3
123.08111	3.3
123.11685	16.6
124.03956	12.2
127.03912	24.6
127.07547	4.1
128.07071	14.0
131.08568	11.0
133.10133	66.4
135.08076	4.5
138.09134	6.3
142.08734	3.9
145.05017	10.5
146.06012	24.0
147.11719	4.6
149.09660	5.1
149.13266	11.2
151.11168	20.7
153.09103	28.3
159.02899	4.5
162.05530	11.0
164.79829	3.5
166.08704	19.6
169.12227	14.9
173.07123	4.6
173.13298	25.1
174.05511	46.4
189.12750	3.8
191.14319	58.0
207.06592	4.0
207.13904	5.2
209.15376	100.0
227.12604	6.0
227.16393	21.9
231.04930	5.4
266.10239	4.5
268.08026	8.5
294.05124	7.9
299.05630	4.8
307.06061	7.3
313.07019	28.0
325.06854	6.0
336.10486	4.3
337.07019	13.2
355.08179	6.6
386.85779	5.2
413.17010	4.6
457.10645	7.0
457.16257	6.4
475.16382	12.9
490.11572	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	475.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35559	3.5
53.03942	5.6
55.01864	10.0
55.05501	8.2
57.03425	4.6
67.05489	8.7
69.03417	29.2
69.07053	5.5
70.01247	21.3
70.06576	11.7
71.04997	11.0
72.08141	5.7
73.02906	6.7
79.05479	8.8
81.03413	22.2
81.07059	11.0
83.04961	8.1
83.08652	4.4
84.08138	4.7
85.02906	47.1
85.06543	6.1
86.09681	11.9
87.00833	19.6
91.05501	10.3
93.07034	11.4
95.04986	5.5
95.08592	13.7
97.02898	24.3
97.06529	8.6
99.04446	15.0
105.01858	14.8
105.03401	12.6
105.07038	6.9
107.08595	35.1
109.02894	23.5
109.10146	22.2
110.07186	5.2
111.08040	6.6
119.04978	8.8
119.08591	7.2
120.08092	12.8
121.02882	4.2
121.06544	4.4
121.10134	18.4
123.08051	8.6
125.05985	10.9
125.08915	4.7
125.09650	49.6
127.03909	34.6
131.08600	6.9
133.06448	4.7
133.10104	23.1
135.08047	9.0
135.11696	8.2
145.05020	8.8
147.11639	4.9
149.09641	5.2
149.13269	9.1
151.11160	24.5
153.09105	75.2
159.02924	9.6
163.11096	5.1
163.14809	11.4
165.09096	5.9
173.13261	17.1
175.03865	9.6
191.03459	4.6
191.14296	36.4
207.13785	4.2
209.15372	100.0
227.16476	33.5
272.20547	4.6
313.06689	6.9
473.31943	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	475.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01867	3.5
55.05510	1.9
57.03436	3.3
57.07076	1.3
61.02927	2.3
67.05505	3.9
68.99788	1.4
69.03432	15.3
69.07076	1.9
69.20073	1.0
69.56433	6.5
71.04996	31.0
73.02922	3.1
79.05493	1.6
81.03412	14.5
81.07047	5.1
83.04989	1.0
83.08628	3.5
85.02904	27.9
85.06546	11.6
85.29336	0.8
87.00835	11.8
91.05482	2.9
93.07025	4.5
93.77820	0.9
95.05002	1.8
95.08601	5.2
97.02903	8.1
97.06529	1.6
99.04458	100.0
99.08075	1.6
105.01871	6.6
105.07056	4.9
107.08604	16.6
109.02892	13.5
109.06512	4.5
109.10178	7.4
113.09651	4.1
117.01813	1.7
119.08613	3.5
121.10155	7.2
123.08075	14.3
123.11711	10.0
124.12109	1.0
125.09621	4.9
127.03918	18.1
131.08551	2.6
133.10124	14.1
135.11694	1.3
139.11174	4.0
141.09079	1.3
141.12686	1.2
145.04962	6.1
145.10144	1.8
147.08070	1.1
147.11678	3.7
149.09651	2.0
149.13269	6.5
151.11215	6.3
159.02890	6.2
163.11137	1.1
163.14742	1.2
165.09152	1.2
165.12744	2.7
167.10751	2.4
169.12259	16.1
173.13260	7.9
183.13811	27.6
186.43594	1.0
191.14284	7.1
209.15396	21.1
211.16959	1.4
221.61456	0.9
227.16423	94.4
228.16881	1.5
231.05031	3.6
232.84276	1.0
251.16583	1.3
369.09213	1.0
455.56598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
53.42593	1.1
55.01857	2.1
55.05510	8.5
57.31948	1.4
57.90934	1.1
58.78204	1.3
59.04756	1.5
59.05001	16.7
61.02917	1.6
61.35639	1.2
65.03928	1.7
67.05512	11.3
69.03437	1.9
69.07069	69.7
71.04977	2.7
78.92069	1.3
79.05498	12.5
81.03420	8.9
81.07064	11.9
83.04989	3.4
83.08601	3.7
85.06540	25.3
87.04472	3.9
91.05474	9.6
93.07065	6.8
95.04968	6.6
95.08595	8.8
97.06537	17.2
97.10159	1.4
101.09629	5.8
105.03378	2.0
105.07056	7.1
107.04935	2.3
107.08587	6.7
109.06506	1.6
109.10145	5.1
111.08071	2.5
117.06995	2.3
119.08562	4.9
121.02830	3.5
121.06493	3.5
121.10096	3.9
129.07024	1.5
129.09126	23.0
131.04906	1.6
131.08543	4.6
133.06447	1.7
133.10161	6.8
135.11665	2.7
137.05984	2.5
143.08543	1.6
145.10118	2.1
147.08083	1.4
147.11700	2.1
149.09647	1.9
151.03909	5.0
157.10095	3.2
159.08020	1.7
159.11697	2.2
161.13307	2.2
163.11156	1.7
169.01346	1.7
169.10088	2.5
183.02905	13.1
183.11607	1.5
193.12238	3.5
200.10643	1.9
201.09070	1.8
207.13828	1.3
209.11655	1.5
224.11668	1.4
227.12814	3.2
244.03738	1.5
258.05109	1.6
261.04044	2.9
272.03223	3.0
273.03891	3.8
275.05435	2.0
287.05383	2.0
289.03537	3.1
289.14511	1.6
301.03207	6.8
302.04028	2.1
303.04883	1.9
315.05035	5.0
317.06549	2.0
330.03607	2.3
330.07245	1.7
331.04474	2.7
332.05261	21.4
345.06085	28.2
346.06802	4.4
347.07605	100.0
348.08041	2.0
355.22668	1.6
365.21011	2.1
383.22064	5.4
401.23450	2.6
457.25876	1.8
475.16150	31.8
475.26364	15.5
475.31766	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01867	5.6
55.05513	10.0
57.03444	6.8
61.02938	5.7
67.05495	9.9
68.99796	3.1
69.03424	34.5
69.07066	6.7
69.45374	19.3
70.06582	6.2
71.04993	31.4
72.08136	6.5
73.02888	4.2
79.05472	7.1
81.03422	24.4
81.07040	11.6
83.04983	8.7
83.08628	4.5
85.02911	55.9
85.06525	11.4
86.09721	22.7
87.00841	19.5
91.05453	5.2
91.75920	3.1
93.07034	14.1
95.04956	6.2
95.08595	13.1
97.02882	27.0
97.06538	4.6
97.10150	2.8
99.04461	100.0
99.08102	9.4
100.96030	2.8
101.05992	5.5
105.01860	17.1
105.03381	5.6
105.07025	13.1
107.04917	2.9
107.08600	32.8
109.02863	13.8
109.06506	9.5
109.10165	25.4
113.09656	3.8
115.77733	3.1
119.04985	3.6
119.08593	11.3
121.06484	3.2
121.10146	23.4
123.08086	14.8
123.11718	10.0
125.09605	11.4
127.03928	41.6
131.08540	8.9
133.10141	51.1
135.08031	4.3
135.11649	5.5
137.09639	5.6
139.11218	3.9
145.04965	13.3
145.10176	4.8
147.11713	5.5
149.09627	11.2
149.13249	11.8
151.11189	15.9
159.02933	7.2
161.13152	3.3
163.14780	7.7
169.12239	13.8
173.13301	21.2
183.13794	31.4
185.16478	4.4
191.14290	31.5
207.13814	3.5
209.13498	4.7
209.15390	93.2
210.15521	3.3
213.03920	3.8
227.16437	83.2
231.05032	9.6
263.14371	3.7
285.08817	3.5
298.03766	3.8
342.11142	6.6
387.50336	3.2
475.32449	18.9
493.32639	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	474.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	26.9
55.25842	8.9
67.05492	31.9
69.07073	46.5
71.53409	13.4
79.05472	17.3
81.07054	52.1
83.08624	19.5
87.76936	9.8
93.07053	51.4
95.04986	14.4
95.08598	100.0
99.08109	10.9
105.07014	25.9
107.08609	60.7
109.10155	81.9
111.08088	10.5
119.08562	38.8
120.89457	10.9
121.10112	49.3
123.08002	14.8
123.11699	23.1
128.62993	8.2
131.08554	19.6
132.91092	8.6
133.10120	47.0
135.11690	30.1
145.10071	19.7
146.60921	9.5
147.11670	22.4
149.13278	11.1
151.11134	12.4
151.14780	10.3
157.10004	10.0
159.11664	37.5
161.13214	18.6
171.11783	13.8
173.13257	30.6
175.14818	28.3
182.31364	8.6
185.13205	13.2
187.14804	43.2
193.15858	43.5
197.13208	12.1
213.16394	33.3
215.17957	11.4
227.17953	28.8
228.18697	11.5
229.19545	25.1
245.18991	35.8
267.88086	8.9
328.62711	10.2
367.30124	58.1
385.31094	80.4
421.34592	27.3
439.35529	38.8
475.32373	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	475.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	1.1
55.01821	1.9
55.05447	5.3
57.07018	1.5
59.04931	9.5
59.05256	1.7
65.03875	2.2
67.05433	10.3
69.03381	1.1
69.06994	50.1
69.07410	4.2
70.01546	3.3
70.41185	0.6
71.04955	1.3
73.51040	0.8
79.05421	7.6
79.14880	0.8
81.03349	2.4
81.06980	12.0
83.04901	1.3
83.08611	3.6
85.06541	8.9
87.04393	2.2
87.08065	1.5
91.05475	4.8
93.07043	8.3
95.04881	2.2
95.08610	20.2
97.06541	10.6
97.10091	2.2
99.08051	1.4
101.09592	1.7
103.31636	0.8
105.03355	1.3
105.07039	5.8
107.08604	10.6
109.10160	22.1
109.10856	0.8
111.08011	1.7
113.09646	8.7
117.06958	1.8
119.08595	8.1
121.02826	1.5
121.10147	10.1
123.11697	4.3
125.09578	1.0
128.06180	0.8
129.09138	12.2
129.10036	1.7
130.64020	0.8
131.08560	1.7
133.10136	18.9
135.08066	0.9
135.11700	7.6
137.02251	1.1
137.05956	1.0
137.13187	1.8
141.09117	6.4
145.10066	2.0
147.04366	1.1
147.07942	0.9
147.11664	5.8
149.02306	1.2
149.09544	0.8
149.13179	2.9
151.03809	3.2
151.04852	0.8
153.01817	1.3
154.60321	0.8
156.04124	1.3
159.10118	0.8
159.11606	1.9
161.13168	3.3
163.11072	1.2
163.14839	3.7
164.04594	0.8
167.03348	1.1
168.00491	1.0
169.01227	1.1
171.11668	0.8
173.13228	1.4
175.14754	3.0
176.52577	0.8
177.16318	1.8
183.01378	0.9
183.02898	16.9
186.01553	1.1
187.14746	1.3
189.16266	3.4
201.16356	1.8
203.17941	7.6
205.19421	1.2
217.19437	1.8
227.12569	1.1
229.19464	1.5
233.04395	1.8
244.03577	1.8
245.04449	1.6
247.05956	1.5
249.03856	0.8
258.05264	1.8
259.05972	2.9
260.03320	0.9
261.03915	3.2
265.66174	0.7
272.03247	3.6
273.03961	4.7
273.06683	0.8
275.05386	1.3
276.06177	1.2
285.03815	1.1
286.04749	1.0
287.05484	3.7
289.03241	2.2
299.27310	5.6
300.02591	2.2
301.03461	10.0
303.04996	3.2
304.05670	2.4
315.04977	6.2
317.03052	1.9
317.06445	1.3
317.28357	2.5
330.03607	2.1
330.07339	1.6
331.04532	2.8
332.05258	29.4
345.06052	24.5
346.03299	0.8
346.06882	4.8
347.07617	100.0
348.07941	2.4
359.07632	2.3
383.22165	1.9
413.46585	0.9
457.36771	1.4
475.16071	34.0
475.27161	3.5
475.37866	31.4
476.16263	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03955	3.2
55.01873	0.9
55.05508	1.2
56.05056	0.7
58.06611	0.5
61.92534	0.3
67.05492	1.5
69.03421	1.3
69.07076	0.9
69.95015	2.0
70.06601	6.8
71.05000	1.0
77.03941	1.1
79.05502	1.1
81.03425	1.3
81.07063	1.9
83.04964	0.7
84.04517	0.8
84.08144	1.9
85.02878	0.9
87.00831	0.4
91.05476	1.3
93.07059	1.4
95.04974	5.7
95.08606	2.4
97.02883	1.0
97.06544	0.7
98.21471	0.5
99.04462	0.6
100.11283	0.5
104.05009	0.6
105.03396	100.0
105.07030	1.5
106.03752	1.5
107.04977	0.7
107.08590	1.8
109.02891	0.7
109.06522	13.8
109.10161	4.7
110.09687	1.1
111.04449	0.8
112.11252	0.9
115.05489	0.4
117.07028	0.6
119.08591	1.5
120.08136	0.5
121.02867	9.8
121.06505	0.5
121.10151	1.6
123.08070	1.7
123.11726	0.6
127.03921	0.8
131.08585	2.2
133.10132	2.0
134.06027	3.7
135.08055	5.2
135.11690	0.7
137.09636	0.8
148.07498	0.6
149.09621	0.7
149.13245	0.4
158.11017	0.6
159.11755	0.4
161.09482	0.9
161.10747	9.3
162.09146	63.1
163.09447	1.1
165.09096	2.4
167.06984	0.5
173.10789	0.9
173.13292	2.5
174.09157	11.6
175.04062	0.4
176.10689	0.5
178.08682	2.4
191.11792	12.7
191.14316	10.1
192.10179	3.3
209.15353	8.9
231.14955	4.8
233.16507	4.5
249.16031	1.7
283.14536	0.8
295.14401	1.7
334.19006	3.0
335.17621	0.9
336.20648	0.6
352.20206	22.9
353.18814	0.5
354.21796	0.7
456.15207	0.6
456.22852	9.3
473.90555	0.4
474.23926	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	474.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
65.03933	1.2
69.56903	0.8
69.57306	1.8
72.08157	4.9
77.03926	1.0
79.01801	0.3
79.05514	0.5
84.08135	1.9
91.05476	0.6
93.03384	0.3
95.04955	1.9
104.05013	0.4
105.03388	94.1
106.03728	0.7
110.09669	0.4
111.04462	1.2
112.11246	2.3
121.02864	29.0
121.03865	1.0
122.03209	0.4
122.05929	0.6
125.07516	0.3
134.06003	6.4
161.10738	10.5
161.13570	0.4
162.09135	100.0
163.09491	1.4
175.12349	2.1
176.10696	7.1
178.08640	0.7
191.11891	0.4
192.10188	2.7
232.18164	0.4
233.16476	22.3
234.16742	0.6
249.16150	0.4
336.20676	21.2
337.19440	1.1
352.20200	11.6
353.18793	1.1
354.21741	57.2
355.22110	1.8
474.23865	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	474.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07762	0.4
53.03942	1.4
53.57711	0.4
55.05508	1.2
57.03445	0.7
57.07067	0.4
65.03910	0.6
67.05500	2.4
69.03426	0.5
69.07051	1.3
70.06589	1.1
71.04984	0.5
71.12241	0.8
72.08146	1.0
73.68554	0.4
77.03922	1.1
77.06664	0.4
79.05488	2.3
81.03410	1.7
81.07059	1.9
83.04965	0.6
83.08640	0.5
84.08138	2.3
85.02895	1.4
91.05476	1.9
93.07046	1.4
94.07434	0.5
95.04972	3.1
95.08595	2.3
96.08911	0.5
97.02899	0.7
97.06535	0.8
105.03385	100.0
105.07006	1.0
106.03765	0.9
107.04959	0.4
107.08589	1.9
109.02833	0.4
109.06509	0.8
109.10119	2.0
110.09685	1.7
110.10405	0.5
111.08099	0.8
112.11242	1.7
117.07005	0.5
119.04991	0.7
119.08560	1.3
120.08134	0.5
121.02870	5.8
121.10159	0.6
122.06000	0.4
123.08063	0.5
127.03934	1.1
128.06226	0.4
129.06992	0.7
129.10254	0.5
131.08566	0.5
133.10085	0.7
134.05997	7.0
135.08131	0.4
135.11693	0.6
136.06219	0.6
137.09567	0.8
143.08606	0.7
145.06461	0.8
145.10123	0.8
147.04541	0.4
147.07971	0.5
147.11664	0.6
149.02325	1.0
149.05998	0.4
149.09586	0.9
150.09981	0.6
157.04025	0.4
157.10107	0.5
161.09508	0.6
161.10738	5.0
161.13202	0.4
162.09131	95.2
163.09515	0.9
163.11092	0.4
165.01854	0.5
165.09111	1.8
166.09448	0.9
173.13232	0.4
174.10477	0.5
175.11134	1.3
175.12469	2.2
176.10678	10.0
187.11150	0.5
189.12701	1.2
190.13063	1.0
191.08551	0.9
193.13481	0.5
231.14844	0.8
233.08240	0.6
233.16484	13.0
242.08151	0.9
243.08397	0.6
336.20673	20.8
337.21298	0.5
347.07562	0.7
352.20074	0.6
354.21729	65.3
355.22073	2.1
380.07593	0.5
383.22031	0.6
456.17038	0.5
456.22894	1.6
467.98517	0.4
474.24210	0.9
474.32806	0.8
475.26959	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01862	2.1
55.05503	1.9
57.03421	1.3
57.07061	1.8
58.06581	0.8
60.04532	0.6
61.02919	1.4
67.05505	5.9
69.03433	8.3
69.07067	2.4
69.28959	6.2
70.06591	1.5
71.04997	5.2
73.02908	1.3
79.05486	3.3
81.03414	5.5
81.07055	5.9
81.40452	0.6
83.04983	0.9
83.08600	0.9
84.04501	1.4
84.08136	2.0
85.02439	1.1
85.02907	15.2
85.06538	2.6
86.09708	1.1
87.00820	5.2
91.03929	0.9
91.05479	6.1
93.07035	5.7
94.40341	0.7
95.04975	4.2
95.08066	0.7
95.08617	7.5
97.02884	5.0
97.06544	3.7
98.20718	1.1
99.04463	2.5
99.08090	0.8
102.05582	0.8
102.14819	0.6
103.86567	0.7
105.01867	5.2
105.03379	2.2
105.07034	12.9
107.08582	10.0
108.04468	0.7
109.02887	4.5
109.06517	73.8
109.10156	19.6
111.08070	2.8
115.05434	0.9
117.06999	1.9
119.08583	5.7
120.08107	0.7
121.02843	0.9
121.06496	1.3
121.10142	5.3
122.10505	0.7
123.08059	9.9
123.11703	1.0
125.09592	0.6
127.03920	8.6
127.93141	0.6
128.07132	0.8
129.01819	1.1
129.06953	0.6
130.07826	0.6
131.08572	21.7
133.10132	46.4
134.06021	0.9
134.10504	0.9
135.04385	0.7
135.08051	29.1
136.06169	1.7
143.08546	1.2
144.09361	1.0
144.10205	21.0
145.04929	2.9
145.10118	5.4
147.11691	3.9
149.09583	2.8
149.13246	2.7
153.09077	3.0
158.10913	2.9
159.02885	2.8
163.11200	1.6
163.14886	0.7
165.09094	1.1
173.13264	38.7
175.14818	1.7
178.04974	1.0
191.14308	100.0
192.14656	0.9
206.21474	0.6
207.13754	1.0
208.14128	0.8
209.15366	51.9
210.15785	0.9
213.03987	0.6
231.04926	0.9
234.64026	0.7
271.13324	0.8
376.12216	1.0
474.16299	0.7
474.25104	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85692	0.9
53.03955	1.8
55.01883	1.3
55.05509	2.3
55.21443	1.2
57.03440	1.7
67.05495	4.1
69.03419	3.5
69.07068	4.6
70.06595	2.0
70.08907	3.7
71.04993	16.7
74.37057	0.9
79.05487	5.5
79.71811	0.9
80.61993	0.9
81.03423	2.8
81.07043	8.2
83.08600	3.8
85.02910	7.6
85.06545	8.3
86.09682	1.2
87.00821	1.7
91.04976	1.2
91.05452	6.1
93.07056	14.4
95.04978	3.1
95.08614	14.1
97.02883	3.5
97.06534	17.1
105.01915	5.0
105.03371	6.0
105.07030	11.0
107.08601	21.7
109.02853	2.5
109.06533	6.1
109.09484	1.1
109.10163	4.0
111.08088	3.6
115.05456	1.2
117.07011	2.3
119.08585	9.9
121.10145	33.3
123.08071	3.8
127.03883	5.2
131.08556	7.8
133.10130	93.7
135.08058	17.1
143.08534	2.9
145.10126	4.4
147.11693	19.9
149.09656	2.9
149.13258	18.6
158.10939	4.0
159.02943	1.8
162.09190	2.8
163.14799	1.2
166.68396	1.1
173.13266	23.9
175.07378	1.3
191.14310	100.0
192.14639	1.7
209.15378	3.9
231.04976	1.7
245.85727	1.1
354.22107	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09879	0.3
53.03948	0.6
55.01877	1.6
55.05509	0.4
56.34186	0.3
67.05499	1.4
69.03429	2.7
70.06588	0.4
70.65444	1.1
79.05492	4.3
81.03423	0.7
81.07050	1.0
85.02905	0.6
85.06548	0.6
91.05474	4.1
93.07053	1.8
95.04970	5.2
95.08601	2.7
105.03403	4.3
105.07028	4.0
107.08588	13.0
109.02886	0.4
109.06526	2.7
109.10136	2.1
112.11220	0.5
115.05478	1.4
117.07018	4.1
119.06049	0.7
119.08567	0.5
120.04440	0.5
120.08965	0.4
121.02878	1.0
123.08051	0.4
127.03935	0.6
131.08539	1.7
133.06573	0.4
133.10121	1.9
135.08051	100.0
136.08397	0.8
144.10226	0.8
145.02826	1.8
145.10069	0.7
147.11676	0.4
149.09601	1.6
149.13257	0.4
158.10890	0.4
161.10713	0.7
162.09087	2.1
163.03844	0.4
173.13292	3.6
176.48517	0.4
177.05444	2.1
177.10284	0.7
178.08617	1.3
191.14304	78.8
192.14680	1.2
209.15411	0.5
249.15950	0.9
312.15836	3.3
352.20117	1.7
354.21725	1.1
384.88373	0.5
425.10379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
56.96565	1.4
57.03440	1.7
61.02909	1.0
69.03427	5.0
70.06592	19.2
71.04999	1.5
71.06932	1.1
71.52505	1.3
72.08162	8.8
73.02903	1.4
74.06072	2.3
79.05479	1.9
80.01148	1.1
80.04967	1.1
81.03403	3.6
83.04990	1.5
84.04500	4.0
84.08141	6.2
85.02907	7.2
86.00608	1.0
86.09696	8.8
87.04442	1.0
91.05495	2.1
93.07045	2.1
95.04981	1.0
97.02853	6.0
98.06026	1.5
98.97602	2.2
99.04523	1.5
102.05549	1.8
103.05479	6.1
105.01852	1.5
107.04938	1.7
109.02848	5.1
111.08083	1.3
112.08722	3.4
115.08688	2.4
119.04984	1.4
120.08110	100.0
121.06498	1.1
121.08453	2.2
123.04422	1.5
124.07562	1.2
127.03909	4.7
128.07076	1.3
129.06555	1.0
129.09224	1.5
129.10271	3.6
130.05058	2.6
131.04941	1.5
136.07567	2.9
137.07883	1.0
141.01869	1.4
144.06589	2.0
145.04945	3.0
147.04427	3.1
147.10146	1.0
149.05981	1.8
152.07068	1.4
155.99344	0.9
166.08644	58.7
167.09038	1.5
175.40718	1.1
182.08066	2.0
184.07623	1.2
231.05032	1.5
237.02892	1.7
297.07651	1.0
307.05933	1.6
312.08737	1.4
337.07321	1.6
341.11389	1.2
345.13089	2.1
357.08054	1.8
375.09073	2.4
474.15628	2.0
474.26083	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	474.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05011	0.3
68.50680	0.3
69.03412	0.3
69.07035	0.5
70.06596	1.7
71.41943	0.4
71.42265	0.4
72.08109	0.9
74.06007	0.3
79.51381	0.3
81.03375	0.3
83.06052	0.4
84.04492	0.5
84.08119	0.7
85.02865	1.1
86.09241	0.5
86.09696	5.4
87.05576	0.4
88.03931	0.3
88.13680	0.3
95.06056	0.3
96.04459	0.8
97.02890	0.4
104.04963	0.4
105.03342	0.9
105.05748	0.8
106.06533	0.7
111.05569	4.1
114.95486	0.3
116.07088	0.5
120.04491	2.8
121.02850	0.3
123.05524	1.1
125.05782	0.9
126.06639	2.2
127.03906	0.5
128.07022	0.4
129.10225	0.4
132.04449	26.5
133.05190	0.4
133.54927	0.3
134.06009	4.9
137.04703	2.2
145.03911	0.4
146.02321	0.4
147.04362	0.9
150.05525	0.3
151.06152	11.5
152.06880	0.3
158.05899	0.4
165.05486	0.3
177.04071	0.7
194.06718	5.2
195.07536	0.9
197.42703	0.3
199.17975	1.1
202.09764	1.7
216.11227	0.9
227.09224	0.4
228.13678	0.3
230.09349	1.7
231.05951	0.5
232.10843	0.8
238.89763	0.3
242.09236	5.6
248.08749	0.9
252.08682	0.5
255.08665	0.4
257.10318	5.3
258.08676	0.8
259.11880	10.8
275.10049	0.4
284.11462	3.4
289.38696	0.3
302.12473	16.1
303.12915	0.4
327.11902	3.1
336.50327	0.3
345.13046	100.0
346.13318	1.4
395.69928	0.3
456.16571	0.5
474.17322	11.2
491.91806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3629
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
51.00281	0.9
55.01870	1.8
55.05509	7.5
57.07065	3.3
58.34731	0.9
65.03934	2.1
67.05508	29.8
69.03425	2.5
69.07072	9.5
69.47779	0.9
71.04990	2.0
74.09700	1.0
75.77879	1.0
79.05493	9.0
80.14169	1.1
81.03398	1.2
81.06593	1.7
81.07059	26.0
83.04972	1.9
83.08642	5.3
85.06544	9.1
91.05479	13.0
93.07040	20.4
95.04462	1.0
95.04961	6.1
95.08605	35.3
97.06535	5.0
97.10141	1.5
98.20779	2.1
99.04445	3.0
105.07027	21.7
107.08597	33.7
109.06490	2.6
109.10152	22.5
111.08076	7.1
113.05989	4.9
117.07036	3.3
119.05066	1.2
119.08583	33.8
121.02879	10.3
121.06487	2.6
121.10136	26.3
123.08077	3.9
123.11698	13.6
125.05964	1.3
125.09629	3.3
129.06961	1.7
131.08557	9.2
133.09125	1.7
133.10127	35.2
135.08063	2.2
135.11699	21.6
137.09624	2.4
137.13255	2.9
139.11189	1.5
141.07011	1.6
141.09074	1.4
142.07774	2.0
143.08539	7.5
145.10124	20.3
147.11685	32.9
147.12805	2.0
149.09616	1.2
149.13261	7.2
151.11194	4.9
155.08551	4.9
156.09383	1.9
157.08780	1.7
157.10120	9.1
158.10873	1.4
159.11697	15.2
161.09596	2.1
161.13257	10.1
163.14821	7.2
167.08624	1.2
169.10132	5.0
171.11697	7.3
172.95280	2.1
173.09598	2.0
173.13243	8.6
175.11235	1.6
175.14853	6.9
177.16423	3.9
179.14326	1.5
182.10895	3.8
183.11723	3.2
185.13271	4.6
187.11209	1.3
187.14838	7.6
188.50572	1.1
189.16414	18.5
191.14326	3.2
191.17966	11.8
195.11716	1.4
196.12582	1.3
197.13313	5.6
199.14822	9.2
201.16411	8.7
203.14449	1.3
203.17917	14.6
207.17447	22.7
211.14859	6.4
213.16385	4.1
215.14377	2.9
215.17946	7.1
217.15788	5.6
221.19037	3.0
225.16499	1.4
227.18097	2.0
228.97977	1.3
229.15938	7.3
229.19521	2.5
231.13812	1.7
243.21159	1.9
247.16968	4.8
267.21140	1.1
269.22531	1.4
277.19626	1.3
337.28806	1.7
343.30215	2.4
365.27594	1.2
387.54861	1.1
401.32300	1.3
419.33170	7.9
437.34189	22.4
438.34540	1.7
455.35269	19.6
473.20190	3.7
473.36288	100.0
474.36469	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	473.2172
Annotation	Terretonin A
Peak:m/z	Relative Intensity
52.96035	3.1
53.03936	10.0
55.01874	7.5
55.05507	19.2
56.70000	3.2
57.07082	3.9
59.04988	4.2
65.03941	5.2
67.05508	43.1
69.03426	8.9
69.07063	12.7
71.04984	3.3
71.52986	3.5
77.03930	3.9
79.05492	45.4
81.03418	60.5
81.07060	33.6
83.01328	3.3
83.04977	13.3
83.08604	13.8
89.76686	3.6
91.05469	55.6
93.07044	40.0
94.90683	3.2
95.01322	69.2
95.04964	35.3
95.08586	26.6
97.02874	7.8
97.06509	9.0
97.10191	4.9
103.05466	11.3
105.07027	78.2
106.98408	3.0
107.04950	10.0
107.08595	34.5
109.06506	18.4
109.10154	15.2
111.04482	3.5
111.08093	7.2
115.05500	5.3
117.07018	19.3
119.08602	41.4
120.04463	4.7
121.06533	9.9
121.10140	22.6
123.08046	5.1
123.11725	4.4
125.09619	5.3
128.06201	7.9
129.07014	24.1
131.04941	6.8
131.08568	21.8
133.06505	37.1
133.10146	24.6
135.04430	4.0
135.08032	15.7
135.11703	7.9
137.05978	5.9
137.09630	4.0
141.07004	8.0
142.07784	5.0
143.08545	14.3
144.09364	4.1
145.06506	8.9
145.10124	24.0
147.04408	3.7
147.08063	11.2
147.11707	25.0
149.02351	6.0
149.05968	3.6
149.09622	8.8
152.68831	3.3
155.08569	9.1
156.09373	5.4
157.06433	6.8
157.10129	17.6
159.08060	11.1
159.11694	14.2
161.05975	100.0
161.09601	11.0
161.13266	7.1
163.07564	5.1
163.11128	5.3
165.06996	6.2
165.09044	11.9
167.08528	8.0
169.10193	8.3
171.08034	9.4
171.11644	23.9
173.09637	7.2
173.13277	5.9
175.07573	22.5
175.11182	9.1
177.09071	5.1
177.12671	3.9
179.08589	6.3
181.10059	8.1
183.08102	5.2
183.11699	6.4
185.09622	8.4
185.13293	6.8
187.03862	4.4
187.07509	11.5
187.11090	4.7
189.09137	6.2
189.11252	3.7
189.12801	6.9
191.03354	12.5
191.10757	4.2
193.10382	5.3
193.12297	14.5
195.11639	4.7
197.09584	5.6
197.13326	6.0
199.07573	3.7
199.11267	6.4
199.14879	5.7
201.05492	5.8
201.09132	3.8
201.12769	8.6
205.04958	18.1
206.10925	3.8
207.13840	9.0
209.09592	9.1
209.13341	4.2
211.07588	5.0
211.11263	4.4
213.09143	5.0
213.12720	8.4
215.10643	10.0
219.06369	5.1
227.10825	4.1
229.12320	4.4
231.13911	5.8
235.11211	3.9
239.10645	6.6
239.14331	3.8
242.07991	3.6
243.10217	4.1
247.11165	4.1
249.12619	5.2
283.10013	4.3
313.17868	6.2
315.23047	9.3
335.11804	4.2
339.16016	16.3
351.11249	5.3
373.17764	6.8
375.19446	8.6
380.11450	12.8
391.18808	6.5
397.11893	4.1
409.20267	22.2
411.21844	9.7
413.26614	9.6
419.18417	5.0
421.15244	3.5
427.21149	6.9
432.00613	3.8
437.19632	5.2
439.16290	9.5
455.20648	11.4
455.34525	3.9
455.42761	3.4
467.76459	3.5
473.16138	6.6
473.21735	22.8
473.28946	46.3
473.35760	11.6
474.20624	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	473.2174
Annotation	Obacunoic acid
Peak:m/z	Relative Intensity
55.01878	4.4
55.05508	10.7
59.04996	5.3
61.54041	3.5
65.03934	4.6
67.05511	33.6
69.03429	4.6
69.07075	18.8
70.25506	7.5
70.25879	13.8
79.05503	26.1
81.03421	37.5
81.07072	25.9
83.04993	5.8
83.08620	12.8
88.54675	4.0
91.05490	24.7
93.07050	30.7
95.01333	64.2
95.04972	100.0
95.08614	22.3
97.06525	6.7
100.83629	3.7
103.05464	4.0
104.32211	4.0
105.07053	31.8
107.04954	9.0
107.08603	15.7
109.06519	7.5
109.10167	13.2
117.07035	15.5
119.08588	27.2
121.06513	11.1
121.10155	15.5
123.08073	5.8
123.11716	6.1
125.05945	5.3
128.06317	4.1
129.06992	9.4
131.04973	5.2
131.08575	18.0
133.06516	10.8
133.10138	12.1
135.08075	9.7
135.11694	7.4
141.06972	6.1
142.07761	5.8
143.08548	23.0
145.10144	15.2
147.08076	8.8
147.11740	9.0
149.09573	6.3
151.03998	4.2
151.07616	4.6
152.06273	5.0
155.08580	10.5
157.06541	5.2
157.10146	18.0
159.08099	10.7
159.10477	3.8
159.11734	11.8
161.06017	33.6
161.09596	8.3
163.11130	4.2
165.09143	8.7
167.08623	5.4
169.10139	19.5
171.08070	15.4
171.11725	15.2
173.09714	7.4
173.13295	10.3
175.07588	9.1
175.11174	5.3
175.14815	4.2
179.08578	6.9
181.10103	12.3
183.08067	9.0
183.11729	7.7
185.09660	9.3
185.13239	8.1
187.07498	7.8
187.14865	5.7
189.05437	4.0
189.09140	7.9
189.12767	7.3
191.03468	4.4
191.10573	5.7
193.10172	4.3
193.12309	6.9
194.10881	4.6
195.08098	3.9
195.11630	8.1
197.09653	8.8
197.13481	6.2
199.11261	7.7
201.09171	8.0
205.05067	4.7
205.12161	4.2
207.11829	5.9
209.09698	9.6
209.13286	7.1
211.11180	8.5
213.09209	6.4
215.10681	6.6
221.13235	7.5
223.11234	5.9
225.12761	5.8
227.10658	7.0
229.12294	7.6
235.11195	4.3
237.16560	4.4
239.10622	5.3
239.14227	5.1
244.07724	19.2
247.13435	5.7
249.12703	5.1
251.14261	5.0
255.13844	5.3
257.15646	5.2
265.12204	6.6
273.07828	27.2
273.12711	7.0
274.08560	8.3
286.23123	4.3
295.13324	4.0
295.16974	4.9
305.15390	5.6
307.17007	5.6
333.14743	6.3
341.10367	3.8
353.17587	10.6
354.67862	4.4
379.15378	5.7
386.13779	27.7
391.18768	5.5
393.20602	7.4
395.18634	7.4
397.16147	7.7
409.20148	8.4
411.21469	8.2
413.19687	6.4
415.16885	10.1
427.21298	8.0
437.19467	12.7
455.20407	23.3
473.15207	7.3
473.21689	45.0
473.29083	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.9
55.01865	9.1
55.05508	17.1
57.07061	3.2
59.04983	10.4
65.03942	5.6
67.05504	48.1
69.03412	8.0
69.07067	17.7
70.67722	8.6
71.01318	2.8
79.05492	44.9
81.03420	50.5
81.07057	39.5
83.04980	10.5
83.08611	11.0
84.08148	25.9
85.02911	7.1
85.08449	4.4
91.05475	37.6
93.07046	41.6
95.01332	75.1
95.04970	100.0
95.08614	29.5
97.02863	4.9
97.06538	8.2
97.10153	3.8
99.69388	2.6
103.05454	5.9
105.03394	30.0
105.07032	68.2
106.03712	10.1
106.07379	3.9
107.04955	12.4
107.08623	24.7
109.06528	15.7
109.10162	15.8
111.08067	8.8
115.05421	9.3
117.07014	18.5
119.04980	3.4
119.08577	42.2
121.02857	3.2
121.06490	13.4
121.10152	14.7
123.04438	5.0
123.08063	6.7
123.11689	9.4
125.09619	5.3
128.06206	12.9
129.07019	18.0
131.04913	8.5
131.08571	20.6
133.06482	15.3
133.10149	19.7
135.08060	11.3
135.11703	10.4
137.05981	6.6
137.09622	8.1
139.07544	8.0
141.07008	10.0
142.07759	7.1
143.08556	33.9
145.06506	11.0
145.10136	17.5
147.04431	4.4
147.07996	8.6
147.11707	22.2
148.03912	6.6
149.05896	4.2
149.09567	7.3
149.13255	3.9
151.07539	5.2
153.06958	4.5
154.07764	3.8
155.08560	17.7
156.09354	6.9
157.06491	4.1
157.10136	23.2
158.07245	2.8
159.08051	13.2
159.11717	12.7
161.05978	58.0
161.09602	10.8
161.13255	10.6
163.07516	4.5
163.11136	6.1
165.06947	7.3
165.09152	6.7
166.07770	6.2
167.08557	9.2
168.09326	3.4
169.06467	8.8
169.10071	18.7
170.07256	3.2
171.08107	16.6
171.11687	17.9
173.09648	10.0
173.13258	6.6
175.07578	10.1
175.11189	5.5
175.14815	4.4
176.10683	14.5
177.09036	6.7
177.11052	10.3
177.16325	3.6
179.08626	10.3
181.10088	18.2
183.08067	6.9
183.11638	16.0
185.09612	9.6
185.13240	5.4
187.07585	6.4
187.11148	7.3
187.14885	3.5
189.05415	3.4
189.09134	4.5
189.12730	3.9
193.10170	5.9
193.12227	12.3
194.10947	4.4
195.08073	8.1
195.11703	12.4
197.09578	15.9
197.13271	5.5
199.07643	7.4
199.11150	8.3
199.14809	3.2
201.09129	10.1
201.12787	6.4
203.06877	3.4
203.10594	3.2
205.04933	11.7
205.12204	3.9
207.08209	3.4
207.11696	6.6
207.13786	6.5
209.09599	13.7
209.13206	4.9
211.11189	9.1
211.14809	4.5
213.09096	3.6
213.12741	4.5
213.16354	3.6
215.10696	8.3
221.09636	6.3
222.10272	3.2
223.11137	3.5
225.09067	5.6
225.12793	5.8
227.10597	11.4
227.14333	3.5
229.12170	9.3
231.06480	5.8
231.13786	4.0
233.09599	4.4
235.07526	3.1
235.11110	6.2
237.09138	7.1
237.12689	7.2
239.10738	3.7
242.08110	5.5
243.13875	5.1
245.11600	5.5
249.12802	3.4
253.08464	4.5
253.12227	6.0
254.08055	22.5
255.10025	5.0
255.14035	3.4
257.11694	8.0
263.10748	4.6
263.14142	3.1
265.12268	3.6
266.08002	4.5
267.13687	5.9
269.15408	5.4
271.09891	3.9
271.13379	4.3
271.16901	3.1
273.18436	3.2
278.08090	4.2
279.08908	6.9
291.12332	7.3
292.09708	7.8
297.18628	3.8
306.11221	6.3
307.11908	13.9
308.12848	22.6
321.18283	3.6
323.16629	4.2
333.14801	9.3
335.16226	10.1
349.16730	9.0
351.15741	9.0
352.17084	5.2
353.17389	13.4
361.14337	14.0
367.19037	4.0
369.16983	4.6
375.19586	4.5
377.17462	3.5
379.15451	17.9
391.19037	5.3
393.20505	5.7
395.18536	7.8
397.16595	8.9
411.21646	4.7
415.17697	4.5
419.18445	5.4
427.21204	7.0
437.19379	8.9
455.15671	13.2
455.21381	19.3
455.35004	8.5
473.21613	53.1
473.28818	26.9
473.35675	7.2
474.22223	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	473.2169
Annotation	Obacunoic acid
Peak:m/z	Relative Intensity
50.23645	2.6
53.85225	2.7
55.01857	4.2
55.05501	3.8
57.07068	3.9
65.03944	7.6
67.05500	26.7
69.03425	4.0
70.22000	5.9
70.22382	5.2
79.05486	8.6
81.03416	15.3
81.07058	6.6
85.02872	3.9
91.05469	12.5
93.07038	9.7
95.01331	40.5
95.04376	5.4
95.04970	100.0
95.08608	5.8
97.06525	4.0
103.05445	2.9
105.07034	22.7
107.04899	2.9
107.08584	7.4
109.06505	6.5
109.10177	5.3
117.07017	6.5
117.85270	2.9
119.08556	12.6
121.06482	5.9
121.10149	5.3
123.04415	7.2
128.06250	5.9
129.07008	7.6
131.04912	4.0
131.08534	12.8
133.06470	8.1
133.10115	9.3
135.08078	3.5
137.06052	3.2
141.07002	5.6
142.07753	4.0
143.08559	21.0
145.06490	8.4
145.10083	10.2
147.08015	7.9
147.11710	4.7
149.05942	3.1
150.36096	2.9
153.06898	3.1
154.07637	3.0
155.08534	10.5
157.10077	15.9
159.08020	10.0
159.11673	4.4
161.05980	24.9
161.09645	6.1
161.13261	5.3
165.06996	5.2
165.09161	2.7
166.07715	3.3
167.08551	11.5
169.10104	13.7
171.08066	10.9
171.11673	8.3
173.09698	5.6
173.13185	3.9
175.07562	8.0
179.08511	7.9
181.10069	6.9
183.08101	5.9
183.11723	9.4
185.09604	8.0
185.13217	6.6
187.07567	3.9
187.11154	3.4
187.14873	3.0
191.03467	3.8
192.09154	3.7
193.10161	6.1
195.08092	3.9
195.11720	8.8
197.09625	10.6
199.07468	3.5
199.11183	8.5
201.09090	4.2
201.12692	2.7
201.16402	4.2
207.07970	3.5
207.11723	4.2
209.09566	9.2
209.13181	5.4
211.11163	9.1
213.09071	5.3
213.12730	5.2
215.10867	5.4
219.08444	3.0
223.11215	3.3
227.10716	3.4
229.08618	8.2
229.12228	13.0
235.11246	4.7
237.12766	3.3
239.10751	4.9
239.14511	3.5
249.12749	3.1
253.08530	5.5
253.12180	6.3
255.10201	3.8
257.11688	7.0
261.12851	3.4
271.13297	4.0
277.15799	3.1
295.13431	4.1
295.16711	2.8
297.14941	6.1
305.15158	2.8
309.18219	3.7
325.17883	3.6
333.14432	4.5
349.16672	8.2
351.15811	4.3
353.17630	3.9
361.14243	5.3
369.16855	5.4
379.15482	4.9
383.96384	3.0
391.18741	4.1
393.20538	6.8
395.18863	3.6
397.16241	8.9
409.20236	6.8
411.21472	4.9
413.19556	4.0
415.17642	6.2
419.18381	3.2
427.21072	8.2
437.19702	5.8
455.20804	16.8
473.21729	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	17.0
55.01860	10.3
55.05502	11.5
57.03428	10.6
59.04985	4.0
61.02911	4.8
65.03974	3.4
67.05497	17.7
68.99788	4.7
69.03423	50.4
69.07052	10.1
69.79919	18.4
70.06596	37.5
71.04980	17.5
72.08153	19.3
72.87682	3.1
73.02918	9.7
79.05481	14.0
81.03417	57.0
81.07048	12.4
83.05003	8.9
83.08597	3.8
84.04481	4.8
84.08121	10.8
85.02900	79.9
85.06539	10.5
86.09700	44.6
87.00822	31.1
91.05496	16.1
93.07058	21.4
95.04971	16.4
95.08608	22.2
97.02886	49.1
97.06524	12.8
98.97640	4.1
99.04453	32.8
100.11267	3.7
105.01864	25.7
105.03397	9.2
105.07004	19.8
107.04948	6.8
107.08590	31.4
109.02868	43.2
109.06502	26.3
109.10149	11.4
110.07230	7.1
111.04429	6.5
111.08073	6.9
115.03910	4.2
119.04907	4.6
119.08559	28.5
121.02879	14.9
121.06513	6.3
121.10134	34.7
123.04505	4.5
123.08060	24.5
123.11692	7.5
125.06030	5.7
125.09599	7.9
126.05534	3.3
127.03922	74.4
128.06218	4.4
128.07089	4.4
129.01848	5.9
129.10219	5.0
130.04941	3.9
131.08530	7.9
133.06445	5.8
133.10129	9.5
135.04427	4.2
135.08032	5.2
135.11676	10.8
136.07571	5.2
136.71683	3.0
137.05959	3.5
137.09552	17.1
137.62871	2.8
139.07440	3.2
139.11186	3.5
145.04947	27.3
145.10117	9.4
147.04379	5.0
147.07991	7.3
147.11681	17.4
149.06039	4.8
149.08438	4.4
149.09622	74.6
151.07526	16.2
151.11208	9.1
159.02887	18.5
160.07541	6.0
161.05981	3.5
161.09576	6.0
161.13252	22.6
163.07465	3.2
163.11183	18.4
165.09189	5.5
165.12749	18.9
167.10703	9.8
171.11684	7.1
175.03889	6.8
177.12706	5.4
179.14320	9.1
181.12225	4.5
185.16493	7.2
189.12721	44.6
191.14378	3.6
207.06572	9.5
207.10135	5.3
207.13789	100.0
208.09645	3.9
213.03918	6.9
213.15974	7.5
223.07872	3.8
225.07635	3.2
225.14848	59.5
226.10727	5.1
231.05003	8.3
261.14536	9.4
292.09979	3.0
473.14117	4.7
473.23184	24.1
473.36673	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	473.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.7
55.01864	10.9
55.05519	5.7
57.03432	8.3
59.04988	5.8
59.56069	2.4
61.02924	4.9
67.05500	6.5
68.99777	4.4
69.03431	47.6
69.07063	9.5
70.06581	2.1
70.57357	5.3
70.57761	4.4
71.01395	2.2
71.04977	6.1
73.02918	7.9
77.72459	2.2
79.05512	6.7
80.10290	2.3
81.03422	37.2
81.07059	11.3
83.04973	7.6
83.08606	3.4
85.02906	100.0
86.09697	3.4
87.00836	32.5
87.04475	6.4
91.05482	8.9
93.07047	21.8
95.04955	7.8
95.08625	11.8
97.02891	41.6
97.06539	7.6
99.04457	18.6
101.06004	4.2
105.01866	39.8
105.07044	20.4
107.04966	3.1
107.08598	20.4
109.02885	45.2
109.06527	13.1
109.10145	8.0
111.04395	3.0
111.08097	4.3
113.06064	2.6
117.06989	2.9
119.08602	19.4
121.06493	4.8
121.10152	13.4
123.08073	33.4
123.11669	2.4
127.02976	4.1
127.03920	81.0
128.04187	2.5
129.01819	5.7
131.08598	3.3
133.06523	2.9
133.10121	13.1
135.08061	4.5
135.11647	4.9
137.09612	5.4
139.11200	13.1
143.08560	3.4
145.04955	28.6
145.10150	4.0
147.02866	5.3
147.08028	3.3
147.11682	20.2
149.09613	5.6
151.07530	9.1
151.11169	28.8
159.02885	21.3
159.11687	5.8
161.09590	2.5
161.13258	24.7
163.11188	3.7
165.12753	7.3
167.07085	2.7
167.10867	2.6
171.11676	5.8
177.12895	3.9
189.04097	3.8
189.12743	24.8
205.12276	4.7
207.13812	84.6
213.03938	8.0
223.13339	3.9
225.14848	69.0
231.05037	20.4
243.16035	3.2
267.15927	3.9
274.60211	2.6
284.65662	2.4
315.16165	2.5
333.17001	3.1
339.68430	2.8
355.26657	2.8
419.16867	3.6
437.17786	6.8
455.19650	4.5
473.20377	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	473.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	11.0
55.01865	9.3
55.05491	4.4
57.03417	9.6
61.02919	5.0
67.05498	4.2
68.99791	3.8
69.03101	2.2
69.03432	28.2
69.07052	4.4
70.06587	5.4
70.33104	6.5
70.33510	4.5
71.04977	7.0
72.08144	4.2
73.02897	9.9
79.05476	2.5
81.03416	38.8
81.07045	8.7
83.04967	3.1
84.08043	2.4
85.02907	100.0
86.09720	4.8
87.00833	30.0
91.05482	5.0
93.07043	7.0
95.04932	4.4
95.08598	8.3
97.02898	29.0
97.06534	3.6
98.18159	2.4
99.04464	17.5
103.03883	2.6
105.01878	21.9
105.07014	9.3
107.08598	14.9
109.02879	44.9
109.06512	9.0
109.10158	7.4
111.08076	4.0
117.01836	5.1
119.08559	10.1
121.10147	13.9
123.04388	3.2
123.08055	6.4
123.11719	17.1
125.05973	3.0
127.03915	64.2
127.07568	2.6
129.01854	6.4
129.04459	2.3
131.08528	3.2
133.06482	2.9
133.10092	5.3
137.09595	10.4
145.04951	20.8
145.10156	3.5
147.02899	4.6
147.08101	3.2
147.11681	9.4
149.09599	33.1
151.07536	4.4
151.11186	22.1
159.02907	18.2
161.09520	2.5
161.13257	14.3
165.12740	7.9
167.10657	6.3
169.08105	2.3
171.11661	5.7
179.14313	4.0
189.12749	21.1
207.13799	69.1
208.14178	2.3
213.04056	2.5
224.38443	2.5
225.14854	35.4
231.04955	13.3
314.31436	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85136	2.2
53.03949	11.2
55.01869	13.9
55.05503	7.2
57.03444	10.1
59.05010	4.0
61.02925	8.0
67.05500	11.4
68.99809	4.8
69.03088	3.9
69.03434	50.9
69.07069	10.2
70.06594	23.0
70.18102	4.6
70.18491	4.3
71.04997	11.5
72.08155	11.5
73.02919	10.2
74.06068	2.0
79.05505	9.1
81.03426	43.8
81.07059	13.3
83.04984	6.7
83.08596	4.2
84.04510	3.1
84.08128	6.4
85.02910	96.0
85.06560	4.4
86.09714	22.7
86.55220	1.8
87.00832	43.8
87.04462	4.8
91.03938	2.8
91.05479	9.9
93.07055	20.7
95.04963	7.6
95.08617	13.1
97.02899	34.9
97.06531	6.1
99.04464	27.8
99.10095	2.2
101.06017	2.8
105.01871	30.2
105.03377	3.0
105.07041	27.7
107.05043	2.4
107.08591	26.8
109.02881	43.3
109.06531	9.4
109.10130	10.1
111.08092	5.0
113.06051	2.2
115.03984	2.0
116.07084	3.6
117.01865	5.2
119.08589	37.1
121.06537	4.1
121.10146	21.9
123.08098	14.5
125.09598	3.4
127.03926	86.4
129.01799	4.7
131.08551	6.5
133.06450	4.5
133.10130	7.6
135.08011	5.7
135.11691	3.8
137.05978	3.2
137.09601	6.2
137.13344	1.9
139.11188	5.5
143.08565	4.5
145.04967	22.9
145.10139	13.3
147.02892	2.3
147.04443	2.9
147.08054	7.1
147.11713	17.6
149.09624	24.2
151.07552	8.2
151.11192	22.0
156.09351	4.9
159.02914	22.9
159.11717	3.5
161.09561	4.5
161.13254	31.0
163.11226	2.4
165.12776	5.7
171.11697	8.5
174.10368	2.7
174.97031	1.9
175.08794	2.2
177.12766	7.0
179.14308	8.9
189.12747	42.1
195.13811	2.4
197.15456	3.6
207.13809	100.0
208.04268	2.4
208.14145	2.4
213.03955	7.1
225.14876	58.8
231.05067	17.3
231.07121	2.8
318.14615	4.2
346.25577	2.9
455.34232	2.3
473.19769	2.3
473.24054	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	473.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.1
55.01865	10.7
55.05503	10.4
56.05022	2.9
57.03417	6.9
57.07033	2.1
59.04995	4.7
59.41056	2.2
61.02917	7.9
65.03942	2.9
67.05498	15.6
67.38521	2.1
67.52258	2.3
68.99790	3.1
69.03429	63.7
69.07074	12.2
70.06593	29.9
71.01335	2.8
71.05001	11.6
71.52535	3.1
71.52918	3.4
72.08160	17.2
73.02914	6.1
74.06084	3.4
79.05476	9.9
79.20914	2.3
79.59808	2.5
81.03416	31.9
81.07058	22.2
83.04967	12.4
83.08597	3.4
84.04516	5.6
84.08138	12.0
85.02906	73.5
86.09705	30.6
87.00825	37.6
87.57240	2.7
91.05476	15.5
93.07050	17.2
95.04965	14.5
95.08616	22.7
97.02893	40.7
97.06513	5.9
99.04462	18.0
105.01871	30.1
105.03389	8.6
105.07028	28.6
107.04960	3.2
107.08606	22.0
109.02876	32.7
109.06506	14.4
109.10161	11.2
110.07178	5.0
111.04447	4.2
111.08076	8.1
113.06001	2.5
113.09788	2.2
116.41584	2.6
117.01823	3.2
117.07040	2.5
119.04932	3.9
119.08566	21.3
120.08044	3.3
121.02870	14.7
121.06543	4.3
121.10149	20.0
123.04427	8.3
123.08059	9.1
123.11655	3.3
124.07553	2.8
125.06036	3.4
125.07122	2.3
125.09726	2.7
127.03920	61.7
128.07065	4.2
129.01849	2.6
129.07056	2.9
129.10242	7.7
131.08577	7.6
133.06490	8.8
133.10135	21.7
135.08038	6.6
135.11647	4.6
136.07552	3.8
137.05980	9.1
137.09605	17.4
137.89212	2.2
138.05531	2.6
139.11153	8.9
139.30818	2.4
145.04984	22.0
145.10127	9.4
147.04410	4.9
147.07973	3.4
147.11711	15.0
148.07581	5.3
149.05919	3.2
149.09625	18.2
151.07552	9.5
151.11162	13.6
156.09386	2.6
159.02873	8.5
159.11658	8.5
160.07593	17.8
161.09621	2.6
161.13229	15.1
163.11168	13.0
167.10719	3.6
170.16989	2.6
171.11690	9.3
177.12807	5.5
179.14378	3.7
189.12741	39.2
191.11775	3.2
195.10161	4.4
195.13896	6.1
207.06522	4.0
207.13814	100.0
213.03923	3.0
219.78316	2.5
225.14842	56.7
231.05034	10.4
261.14505	4.3
387.16110	3.5
429.17395	11.6
437.17804	3.2
465.52689	2.4
473.15552	27.4
473.23419	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	473.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.7
55.74195	0.6
65.03920	1.6
67.05476	1.2
69.03408	0.8
69.07040	0.6
71.52464	0.6
71.52840	0.8
73.31772	0.6
76.31880	0.6
79.05492	1.2
79.94659	0.5
83.04959	2.2
85.06504	1.1
90.53138	0.7
91.05487	0.9
92.05010	6.0
93.07021	0.7
95.04921	0.9
95.08585	1.0
99.04425	1.1
104.04973	1.5
106.06524	1.3
107.08575	0.8
108.62698	0.6
109.10139	0.9
120.04465	32.0
121.10139	1.7
123.11697	0.7
129.06993	1.0
131.08504	0.8
132.04442	11.4
134.05998	2.0
135.11700	1.0
148.03947	1.7
160.03969	4.4
161.04745	0.7
162.05489	2.2
168.08041	0.8
172.07515	1.1
173.08350	1.3
174.09081	1.2
186.09105	1.6
196.07539	4.8
196.76489	0.7
200.07048	8.3
210.09296	0.7
213.07805	1.6
214.08646	1.4
214.71455	0.8
224.07092	2.4
227.05711	5.3
230.78679	0.6
238.08577	1.7
241.07385	2.8
242.08122	100.0
243.08426	2.0
254.08115	1.7
257.06946	1.0
266.08032	1.1
266.11850	1.6
278.08203	0.7
278.11801	1.0
279.08881	0.8
280.09665	1.1
282.11307	0.9
284.09152	11.3
294.07617	8.3
294.11206	3.6
296.12866	12.4
296.24417	0.8
306.11432	3.3
324.12375	3.3
324.56747	0.6
327.11432	1.0
327.23639	0.8
334.10812	1.2
342.13330	10.5
352.11993	1.6
354.13483	1.1
362.10284	1.9
367.10782	1.1
371.10138	1.0
372.10748	0.8
373.11404	0.8
380.11374	2.6
395.10056	1.1
397.11725	1.5
437.14914	10.9
455.16089	3.7
473.17099	70.2
474.17361	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	472.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.5
51.02364	0.7
53.03947	3.4
54.00913	0.5
55.01852	0.9
55.05494	2.1
64.03279	0.5
67.05496	1.9
69.03410	0.8
69.07066	1.1
70.06590	1.7
71.53172	0.7
72.08150	4.4
77.03927	1.2
79.05481	2.6
81.03413	1.6
81.07063	2.8
83.04988	0.8
83.08608	0.9
84.08144	4.0
85.02901	1.1
86.09691	1.1
91.05477	3.3
92.05800	0.9
93.07043	1.9
94.22372	0.4
95.01309	0.6
95.04964	7.7
95.08611	1.4
97.06554	0.9
105.03387	100.0
105.07031	2.4
106.03735	1.9
107.08605	1.8
109.06504	0.8
109.10158	1.4
111.08064	0.6
117.07030	1.0
119.08554	1.9
121.02843	1.2
121.06541	0.6
121.10149	1.6
122.06026	1.9
123.08038	1.0
126.12787	22.5
127.03862	0.8
129.07007	1.2
131.08553	1.1
133.10109	1.0
134.05986	4.8
134.10429	0.6
135.11699	0.8
142.27962	0.5
143.08578	1.1
145.06523	0.9
147.11755	0.8
149.05896	0.6
149.09625	0.5
155.08421	0.5
157.10107	1.1
159.08058	0.8
159.11670	0.8
161.13217	0.7
162.09120	2.0
165.09172	0.8
169.10075	0.9
170.10521	0.5
171.11656	1.0
172.12033	0.7
173.05956	0.8
173.13243	0.7
175.12349	0.9
176.10698	29.7
182.10442	0.6
184.11969	0.7
185.13159	0.6
189.12794	0.5
190.12270	1.5
194.10490	0.6
195.11800	0.7
198.13661	0.6
207.13828	0.6
209.09560	0.6
211.10944	0.5
242.08148	0.7
245.16499	0.8
247.18051	61.3
248.18390	2.2
254.08080	2.5
279.40161	0.5
350.22247	9.8
351.20410	4.4
412.18582	0.7
420.70743	0.6
436.18396	0.7
454.19513	1.0
455.16199	0.6
472.14719	1.2
472.20273	1.3
472.25946	6.6
472.32675	0.6
472.35718	0.9
473.26273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.2
55.01876	12.1
57.03429	6.8
61.02933	7.2
65.77736	1.3
66.69946	1.5
67.05520	1.6
68.99776	4.2
69.03429	32.1
69.46991	9.7
71.04988	5.1
73.02919	9.1
79.05492	2.7
81.03417	34.3
81.07066	2.2
83.05000	1.6
85.02905	100.0
85.06534	4.2
87.00829	38.0
91.03998	2.2
91.05452	2.4
95.04958	3.3
97.02892	59.3
99.04461	21.4
105.01868	61.7
105.03392	23.8
109.02876	35.0
117.01865	7.2
123.04445	6.3
127.03918	90.6
129.01819	5.1
130.85973	1.5
145.04956	55.4
147.02922	4.4
159.02890	25.6
165.09128	1.8
175.07486	1.7
177.03923	2.1
189.03937	2.2
189.09157	4.0
193.08571	2.5
213.04005	6.4
225.64780	1.5
231.04997	26.7
249.06084	6.6
266.85596	1.5
315.10883	1.8
338.90219	1.7
354.38336	1.7
398.39053	1.5
472.22113	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	472.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.5
51.02364	0.7
53.03947	3.4
54.00913	0.5
55.01852	0.9
55.05494	2.1
64.03279	0.5
67.05496	1.9
69.03410	0.8
69.07066	1.1
70.06590	1.7
71.53172	0.7
72.08150	4.4
77.03927	1.2
79.05481	2.6
81.03413	1.6
81.07063	2.8
83.04988	0.8
83.08608	0.9
84.08144	4.0
85.02901	1.1
86.09691	1.1
91.05477	3.3
92.05800	0.9
93.07043	1.9
94.22372	0.4
95.01309	0.6
95.04964	7.7
95.08611	1.4
97.06554	0.9
105.03387	100.0
105.07031	2.4
106.03735	1.9
107.08605	1.8
109.06504	0.8
109.10158	1.4
111.08064	0.6
117.07030	1.0
119.08554	1.9
121.02843	1.2
121.06541	0.6
121.10149	1.6
122.06026	1.9
123.08038	1.0
126.12787	22.5
127.03862	0.8
129.07007	1.2
131.08553	1.1
133.10109	1.0
134.05986	4.8
134.10429	0.6
135.11699	0.8
142.27962	0.5
143.08578	1.1
145.06523	0.9
147.11755	0.8
149.05896	0.6
149.09625	0.5
155.08421	0.5
157.10107	1.1
159.08058	0.8
159.11670	0.8
161.13217	0.7
162.09120	2.0
165.09172	0.8
169.10075	0.9
170.10521	0.5
171.11656	1.0
172.12033	0.7
173.05956	0.8
173.13243	0.7
175.12349	0.9
176.10698	29.7
182.10442	0.6
184.11969	0.7
185.13159	0.6
189.12794	0.5
190.12270	1.5
194.10490	0.6
195.11800	0.7
198.13661	0.6
207.13828	0.6
209.09560	0.6
211.10944	0.5
242.08148	0.7
245.16499	0.8
247.18051	61.3
248.18390	2.2
254.08080	2.5
279.40161	0.5
350.22247	9.8
351.20410	4.4
412.18582	0.7
420.70743	0.6
436.18396	0.7
454.19513	1.0
455.16199	0.6
472.14719	1.2
472.20273	1.3
472.25946	6.6
472.32675	0.6
472.35718	0.9
473.26273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51640	1.0
53.03940	2.7
55.01847	1.1
57.03436	1.5
67.05492	1.5
69.03442	6.1
69.07047	1.6
70.06584	5.9
71.04998	1.6
72.08148	2.1
73.02948	1.0
74.93921	0.9
79.05495	2.5
81.03429	9.1
81.07044	1.9
84.08160	1.9
85.02908	7.0
85.03354	1.3
85.06511	1.1
86.09709	3.2
87.00813	1.9
91.05482	4.1
93.07037	2.1
95.04959	5.0
95.08595	2.0
97.02886	4.9
98.06113	1.1
99.04467	2.7
105.03397	33.2
105.07018	2.0
107.08585	2.2
109.02900	4.9
109.06478	1.2
119.04947	3.4
119.08592	2.2
121.02869	1.0
121.06538	1.9
121.10146	1.7
123.04373	1.9
123.08056	2.0
127.03935	5.1
130.04143	3.2
131.66234	0.9
132.04465	8.4
133.02841	0.9
133.10107	1.1
135.04445	1.1
137.05968	1.2
138.98370	1.1
146.06026	1.9
147.04399	3.8
147.11768	1.0
163.11240	1.5
167.07062	1.3
173.13196	0.9
174.05580	1.3
175.03902	4.0
176.04669	4.7
178.05000	61.2
180.10156	1.0
181.04959	1.1
189.12761	2.2
205.12271	1.4
206.04462	100.0
206.12645	1.3
207.04794	2.2
207.06540	10.4
207.13812	3.9
209.04515	1.6
223.06030	2.0
224.06766	10.8
225.14879	1.9
229.42285	0.9
249.07635	7.0
331.12729	1.7
334.78256	0.9
396.05371	1.0
454.19379	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3469
Annotation	hyperinol B
Peak:m/z	Relative Intensity
52.01943	2.1
53.03940	2.4
55.01845	4.3
55.05511	15.1
57.07050	3.9
59.04982	4.5
64.70097	2.5
67.05503	28.1
69.03420	7.6
69.07055	15.5
71.04986	4.6
71.53255	2.8
73.06548	2.9
75.20209	2.1
79.05492	35.4
81.07059	80.3
83.04974	8.2
83.08615	6.4
85.06528	3.0
91.05482	31.5
93.06486	3.2
93.07042	42.4
95.04948	6.1
95.08609	57.9
97.06532	7.6
103.05444	2.4
105.04562	2.2
105.07028	45.3
107.08588	65.2
109.06519	27.9
109.10168	27.6
111.04407	2.9
111.08063	6.4
115.05436	3.7
117.07045	12.3
119.08583	57.0
121.06496	7.4
121.10149	40.8
123.08051	10.4
123.11674	10.7
128.06227	5.3
129.06963	8.4
130.07794	3.4
130.85223	2.4
131.08578	31.3
133.06500	3.7
133.10126	45.0
135.08034	22.1
135.11684	24.7
137.05954	2.6
137.09560	3.9
137.13242	5.2
141.07004	2.7
142.07780	6.7
143.08557	19.1
145.06493	3.4
145.09053	4.0
145.10129	51.2
147.08067	7.9
147.11693	28.0
149.09642	12.3
149.13254	8.2
151.11118	2.6
153.06989	3.2
155.08545	8.4
156.09348	5.7
157.10120	36.6
158.10927	3.0
159.08051	5.5
159.11691	46.2
161.09589	14.3
161.13300	16.4
163.07480	2.3
163.11145	4.2
163.14825	8.6
165.06943	3.7
165.09111	3.9
167.08524	3.5
168.09418	4.2
169.10161	18.7
170.10844	3.4
171.11710	21.5
173.09637	7.3
173.13257	32.5
175.11192	10.1
175.14771	14.1
177.12714	4.0
177.16391	5.2
179.10760	5.1
180.09390	2.9
181.10100	8.5
182.10918	3.4
183.11699	18.3
185.09636	4.5
185.13266	20.7
187.11215	6.4
187.14778	29.2
189.12761	5.8
189.16376	13.9
191.14313	3.8
191.17972	3.5
193.10159	4.2
193.12094	3.8
193.15874	5.5
195.11676	10.3
196.12256	2.5
197.09590	3.8
197.13338	15.0
199.11156	4.2
199.14832	17.4
200.15515	4.2
201.12717	8.1
201.16359	24.4
203.14345	6.3
203.17978	3.1
205.12306	3.3
205.15883	4.5
207.11732	3.7
209.09621	2.5
209.13254	6.8
210.14044	4.0
211.11150	4.3
211.14836	10.1
213.09315	2.5
213.12781	3.4
213.16362	9.8
215.14326	9.4
215.17932	8.5
217.15855	7.9
219.11710	3.2
221.13184	5.4
223.14702	5.6
225.12697	5.0
225.16359	9.8
227.14282	6.6
227.17955	4.8
229.15900	5.9
229.19522	6.2
231.17393	3.4
233.13269	3.7
233.15361	7.9
235.14925	4.9
237.16393	3.7
239.14369	4.4
239.17918	4.2
241.15921	5.3
241.19568	3.3
243.13792	3.4
243.17448	12.2
245.15501	4.8
247.14668	3.1
247.17017	2.7
249.16397	4.7
253.19548	2.5
257.18890	4.0
263.18188	3.5
265.19388	2.8
266.08090	9.2
267.17480	3.2
285.18378	8.6
295.24213	8.1
299.20004	3.1
303.19504	5.6
309.18784	2.9
309.22156	8.2
313.25381	6.8
319.24213	4.5
321.25729	3.4
323.20120	3.0
323.23666	3.7
325.21704	2.6
333.25705	3.0
337.25256	4.4
351.23239	5.5
353.28455	3.9
355.26395	2.7
355.30127	2.8
363.26816	12.1
369.24030	3.1
381.27826	24.1
393.24423	5.1
395.10251	3.5
395.29352	4.0
399.28772	5.1
407.33002	7.7
411.25293	5.3
417.31390	5.0
425.34152	10.8
435.32678	21.0
453.19321	4.0
453.33707	41.3
471.20612	5.1
471.27457	16.3
471.34628	100.0
472.28033	3.8
472.34998	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	471.3468
Annotation	hyperinol B
Peak:m/z	Relative Intensity
55.05504	9.9
59.04999	4.8
65.03937	2.9
67.05509	22.7
69.07072	13.7
69.53414	18.0
71.04987	3.8
79.05508	19.9
81.03435	4.6
81.07059	59.2
83.04981	3.5
83.08607	3.8
84.43256	2.8
85.06543	3.7
91.05484	26.6
93.01352	2.6
93.07047	36.3
95.04955	9.9
95.08609	49.2
97.06532	5.5
99.08060	3.4
105.07033	39.5
105.99783	3.0
107.08611	50.3
109.06527	23.1
109.10154	24.3
111.08033	3.1
117.07018	12.1
119.08597	43.8
121.06491	5.3
121.10159	28.1
123.08051	10.7
123.11717	11.1
128.06219	5.4
129.06992	9.7
131.08574	26.1
133.06444	3.9
133.10138	44.9
135.08119	18.1
135.11707	23.2
137.09601	3.9
137.13255	3.1
141.06982	4.3
142.07709	6.7
143.08585	16.5
144.09396	4.0
145.09062	3.8
145.10135	39.0
147.08128	3.7
147.11655	25.6
149.09605	15.8
149.13188	5.2
149.58211	2.4
155.08578	6.5
156.09419	3.6
157.10144	29.8
159.08080	5.9
159.11713	35.4
161.09628	10.1
161.13272	14.0
163.07491	2.9
163.11182	4.9
163.14833	6.8
167.08539	3.9
167.14357	2.7
168.09427	3.5
169.10167	13.6
170.10968	3.4
171.11668	19.3
173.09560	5.1
173.13245	26.8
175.11172	7.7
175.14810	17.1
177.16389	4.4
179.08566	3.3
179.10687	6.3
181.10197	5.4
183.11699	14.8
185.13277	17.7
187.11201	5.7
187.14810	22.1
189.12788	5.7
189.16411	13.1
191.14349	5.2
193.08571	2.7
193.12219	3.0
195.11688	6.0
197.13287	11.8
199.14821	14.9
201.12750	9.8
201.16367	22.8
203.14349	4.5
203.18013	5.7
206.10902	3.2
207.11703	4.5
209.13275	7.7
211.14928	8.0
213.12758	3.3
213.16441	6.2
215.14296	4.5
215.18027	9.0
217.12283	3.0
217.15857	7.3
223.14917	6.4
225.16425	8.3
227.14305	3.7
227.18042	4.0
229.19467	5.2
231.17421	4.5
233.15356	5.5
237.16574	3.3
239.18050	4.6
241.15921	5.5
243.13785	5.7
243.17313	12.8
245.15410	7.2
251.18124	4.5
253.19571	2.7
257.19196	4.1
265.19739	2.6
266.08197	7.1
267.17368	5.0
285.18497	8.7
303.19498	4.9
309.22101	10.2
311.23596	2.7
313.25375	5.1
319.24307	6.8
333.22141	4.3
335.27295	3.2
337.25220	5.0
351.22986	6.7
351.26807	3.4
353.28397	3.3
363.26712	13.2
371.29092	3.5
381.27893	22.3
399.29156	3.1
407.33130	4.3
408.50372	3.5
417.31970	4.6
425.33994	8.3
435.32639	21.7
453.19418	3.1
453.33762	33.1
471.20078	8.4
471.27426	17.4
471.34616	100.0
472.34943	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	471.347
Annotation	Fatsicarpain G
Peak:m/z	Relative Intensity
55.05503	14.5
57.07064	5.7
59.04972	3.5
61.27699	3.4
67.05502	16.3
69.03410	5.4
69.07066	17.0
71.04979	4.3
74.32870	2.9
79.05482	15.2
81.03412	4.0
81.07057	44.5
83.08602	5.0
91.05466	23.8
93.07055	30.8
95.04912	3.9
95.08604	46.1
97.10159	3.4
105.07024	39.8
107.08595	51.2
109.06517	10.2
109.10151	33.8
115.05399	5.2
117.07005	9.3
119.08584	47.1
121.06505	5.2
121.10140	40.2
121.76008	3.7
123.08080	9.3
123.11694	53.4
128.06224	3.6
129.07025	6.3
131.08569	20.3
133.10114	39.2
135.08041	6.7
135.11667	19.1
137.13228	7.1
143.08566	21.1
144.09393	4.2
145.10129	35.0
147.11681	29.2
149.09634	5.2
149.13246	9.1
153.43668	3.2
155.08563	6.0
157.10153	16.2
159.11688	29.5
161.09584	5.9
161.13268	25.4
163.11183	6.8
163.14853	7.4
169.10159	11.2
170.10847	3.4
171.11690	16.2
173.09570	6.1
173.13225	22.4
175.11227	9.6
175.14806	13.6
181.10172	6.0
183.11691	8.9
185.13242	17.6
187.11221	3.6
187.14783	16.6
189.12764	9.6
189.16386	12.3
195.11664	4.3
197.13237	9.8
199.14827	27.2
201.12781	5.3
201.16376	23.2
203.14374	8.7
203.17932	5.7
205.15848	9.4
207.17406	4.3
209.13268	7.8
211.14757	7.7
213.12801	3.6
213.16452	7.3
215.14250	7.3
215.17917	9.0
217.15952	8.6
223.14732	6.1
225.16373	6.1
227.14326	7.8
227.17841	5.8
229.15826	10.1
229.19482	7.7
231.17342	4.0
231.20947	4.5
233.15274	4.0
237.16379	4.6
239.17964	5.0
241.19534	5.5
243.17487	5.0
245.15369	12.2
253.19551	3.7
255.17303	4.5
259.16876	5.7
261.18365	4.9
265.19427	3.5
271.20309	3.7
281.18591	3.6
293.19141	3.4
293.22440	5.3
295.24124	16.7
298.00974	3.4
299.19916	4.7
311.23666	5.2
313.25339	9.2
319.24188	7.6
321.25919	4.2
333.25891	4.4
337.25266	9.0
363.26828	51.7
377.28418	4.3
381.27884	62.7
382.28027	4.4
395.29349	6.2
399.28879	5.4
407.32901	4.2
417.31406	5.7
425.34024	4.1
435.32587	20.0
453.33521	40.1
471.34726	100.0
472.34631	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	471.3471
Annotation	Ganoderone C
Peak:m/z	Relative Intensity
51.51321	1.7
53.03943	2.0
55.05503	5.8
57.07066	3.8
67.05501	13.8
69.03419	1.9
69.07066	9.1
69.92368	1.5
70.33518	6.5
71.05010	2.5
79.05500	16.6
81.07058	65.2
83.04980	2.4
83.08624	2.2
85.06562	2.9
91.05474	17.9
93.07039	25.0
95.04965	3.8
95.08603	29.5
97.06506	1.9
97.10172	3.1
105.07035	24.7
105.56055	1.6
107.08594	32.6
109.06528	27.1
109.10155	23.3
111.08088	3.3
117.07011	6.5
119.08579	29.2
121.10137	26.9
123.08064	5.2
123.11714	13.6
125.09633	4.2
129.07018	5.8
131.08575	13.2
133.10133	22.5
134.98154	3.4
135.08070	11.2
135.11691	17.8
137.09593	3.6
137.13263	4.2
142.07741	1.8
143.08553	8.1
145.10101	16.9
147.08058	3.3
147.11699	16.3
149.09592	10.3
149.13283	4.8
151.11166	4.9
151.14803	1.7
155.08542	2.5
156.09351	2.9
157.10143	15.5
159.11707	23.8
161.09593	6.1
161.13231	11.8
163.11174	3.7
163.14853	3.2
165.12793	2.1
167.08466	1.8
168.01886	1.5
169.10147	4.2
170.10851	2.0
171.11673	8.9
173.13242	13.3
175.11232	3.4
175.14830	7.1
177.12766	4.5
177.16304	2.0
179.08365	1.6
179.10722	2.6
181.10114	2.7
183.11652	7.8
185.13246	10.8
187.11203	2.3
187.14877	8.8
189.12761	4.4
189.16393	14.7
191.14409	2.2
193.12253	4.9
195.11768	3.5
197.13280	7.4
199.14774	13.1
200.15578	2.0
201.12762	3.6
201.16386	7.4
203.14362	3.0
203.17975	3.2
209.13235	4.8
211.14828	4.7
213.16402	6.1
215.14326	3.2
215.17972	6.1
217.15849	4.1
223.14766	2.3
225.16417	4.3
227.14302	6.5
227.17982	5.7
228.18872	2.4
229.15779	2.6
229.19472	8.2
231.21013	2.5
237.16441	2.2
239.17851	1.8
241.15910	2.4
241.19440	2.5
243.21019	2.3
245.15309	3.2
253.19722	2.0
255.21019	4.0
257.18832	1.7
263.17856	2.0
265.19449	2.0
269.18976	1.7
273.22110	5.2
277.19522	2.0
279.21280	2.7
285.18723	2.1
287.23761	4.5
289.21664	2.5
293.22534	3.9
295.24274	2.4
311.23663	3.3
335.27292	2.2
353.28375	4.5
363.26770	17.0
364.27332	2.2
381.27896	50.7
382.28381	3.7
399.28934	100.0
400.29327	6.2
417.31656	2.2
435.32590	10.1
446.58206	1.8
453.33676	16.1
471.24829	2.5
471.34778	26.5
472.35071	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	471.347
Annotation	Fatsicarpain G
Peak:m/z	Relative Intensity
55.05512	17.0
57.07085	5.2
59.04988	9.2
60.15587	3.4
67.05502	26.6
69.03428	5.4
69.07079	18.1
69.59218	3.1
69.84954	7.3
69.85367	12.0
79.05503	19.9
81.03408	6.8
81.07053	53.0
83.04982	8.5
83.08620	8.4
85.06494	3.9
91.05463	34.6
93.07042	50.8
95.04974	8.4
95.08610	56.5
97.06529	8.9
105.07030	53.4
107.08588	66.2
109.06509	10.6
109.10155	51.7
111.08082	4.0
117.07008	12.3
119.08581	67.6
121.06496	3.9
121.10137	57.9
123.08068	9.0
123.11703	65.0
129.06999	8.3
130.07840	3.5
131.08557	32.4
133.06483	5.8
133.10124	61.7
135.08060	8.1
135.11670	30.4
137.09595	5.1
137.13272	8.4
141.07031	3.4
142.07782	6.5
143.08559	26.6
145.10123	53.9
147.08044	6.5
147.11676	54.5
149.09642	7.4
149.13287	14.8
155.08553	7.6
157.10115	23.9
158.10815	5.0
159.08098	4.2
159.11688	43.3
161.09630	14.5
161.13274	29.6
163.11185	12.3
163.14850	6.1
165.06908	3.2
165.12802	3.6
167.08340	3.3
168.09315	3.5
169.10153	11.2
171.11633	18.7
173.09608	5.5
173.13251	24.9
175.11174	15.3
175.14803	19.4
177.16391	5.6
179.14203	3.7
181.10162	6.7
183.11754	14.8
184.12613	5.4
185.13264	24.1
186.13977	2.9
187.11183	6.1
187.14801	32.3
189.12730	10.3
189.16339	18.7
191.10791	3.6
191.14226	3.6
194.10864	3.2
195.11668	4.4
196.48508	3.1
197.13269	13.9
199.14845	35.4
200.15544	2.9
201.12761	5.0
201.16386	41.8
203.14326	9.1
205.15916	6.8
207.11795	4.4
209.13315	8.0
211.14857	9.4
213.12703	5.4
213.16403	8.0
215.14343	11.2
215.17924	17.1
217.15889	12.9
221.13239	4.2
223.14877	5.9
225.16379	11.5
227.14313	5.4
227.18010	9.1
229.15977	5.8
229.19478	7.2
231.17279	4.5
231.20953	5.3
233.13217	3.5
237.16339	4.1
239.18042	4.6
241.19614	5.3
243.17473	11.8
245.15422	10.5
249.16574	3.5
251.18080	5.5
253.19487	3.3
255.21130	6.6
257.15317	3.5
259.17007	5.6
263.16339	3.7
267.17590	3.5
269.22623	3.9
279.19577	4.6
295.24182	16.2
311.20071	4.2
313.25247	9.6
313.90527	3.4
319.24545	4.5
333.25778	4.5
335.22565	3.2
335.27127	3.2
337.25436	9.8
345.25607	4.6
353.28534	7.2
363.26797	57.9
377.28134	4.0
381.27896	72.2
395.29550	5.8
417.31421	6.8
434.38483	3.4
435.32654	34.3
453.33701	46.1
471.34692	100.0
472.34961	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	471.3467
Annotation	Fatsicarpain G
Peak:m/z	Relative Intensity
55.05500	12.4
57.07081	4.7
59.04994	9.5
60.05923	2.8
60.45942	2.8
60.68755	3.0
61.83551	2.7
67.05509	23.3
69.03433	7.7
69.07072	22.7
69.46911	7.5
69.47326	19.7
71.04993	4.4
75.49834	2.8
78.61921	2.7
79.05494	21.5
79.62458	3.1
81.07060	49.3
83.04966	5.3
83.08611	8.1
85.06515	3.3
91.05476	30.0
93.07040	50.2
95.04974	7.9
95.08610	58.8
97.06526	6.2
97.10217	4.7
105.07030	47.9
107.08592	69.0
109.06528	10.0
109.10159	47.9
111.08098	5.3
111.61501	2.6
115.05451	4.3
117.07014	15.6
119.08582	60.5
121.06548	4.4
121.10143	60.6
123.08088	6.2
123.11700	48.3
125.09695	3.2
129.07028	9.2
131.08580	31.7
133.10127	57.0
135.08093	8.3
135.11693	29.8
137.09605	3.9
137.13257	7.3
140.47652	3.0
140.91534	2.8
141.06996	4.2
142.07803	3.8
142.35057	2.8
143.08578	24.5
145.10112	54.8
145.11165	4.5
147.11678	42.2
149.13249	12.3
151.11182	3.6
155.08569	5.9
156.09291	3.7
157.10114	22.9
158.10860	3.9
159.11697	42.5
161.09630	10.2
161.13248	29.6
163.11185	14.0
163.14844	7.5
165.12740	5.4
169.10143	12.3
171.11664	25.9
173.09616	4.8
173.13260	30.4
175.11143	15.4
175.14815	18.6
177.10078	3.4
177.12766	6.2
177.16385	5.6
181.10068	5.4
182.10915	4.4
183.11699	14.8
185.13258	23.6
187.11130	3.4
187.14787	19.6
189.12721	17.9
189.16379	18.2
191.14328	4.8
191.17972	4.8
193.10112	3.1
193.12283	3.6
195.11740	8.2
196.12596	3.1
197.13242	14.8
199.11292	3.3
199.14856	32.6
201.12683	4.5
201.16414	28.8
203.14410	12.5
203.17937	4.7
205.15881	8.0
207.13802	3.4
209.13330	9.8
211.14851	9.6
213.16393	7.0
215.14343	3.0
215.17998	12.8
217.15935	12.2
223.14754	5.6
225.16394	12.2
226.08730	5.0
227.14389	11.5
227.17908	5.3
229.15900	8.7
229.19633	5.9
231.17435	4.9
231.21132	3.8
236.64403	3.2
237.16411	3.7
239.18250	4.1
241.15868	6.9
243.17484	10.6
245.15424	12.6
255.17429	3.5
255.21016	6.8
259.16925	3.4
261.18506	3.5
263.16388	5.8
267.17468	3.8
269.19208	3.8
271.20486	5.2
279.19641	5.0
289.21609	4.8
293.22733	3.8
295.24121	15.8
299.20157	4.2
311.23801	5.7
313.25217	11.3
319.24222	8.2
337.25266	4.7
363.26767	61.6
363.30875	4.8
364.27313	4.5
377.28326	7.5
381.27881	64.4
395.29382	6.9
417.31528	5.8
435.32526	27.0
453.33768	39.4
471.34723	100.0
472.35022	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	471.3467
Annotation	Fatsicarpain G
Peak:m/z	Relative Intensity
53.51082	3.6
55.05501	12.3
57.07079	4.5
59.04994	12.4
63.30148	3.2
67.05507	20.8
69.03417	11.7
69.07080	23.2
69.28928	3.5
70.65593	6.7
70.65932	8.7
71.04986	3.8
72.05311	3.9
74.70495	4.2
77.14672	3.8
79.05481	19.3
81.03440	5.2
81.07066	42.1
83.08626	8.8
85.06545	4.4
91.05481	29.5
93.07048	50.9
95.04971	12.1
95.08604	60.4
97.06566	4.4
105.06398	5.9
105.07034	60.9
107.08598	60.1
109.06536	9.3
109.10166	42.7
117.07018	10.8
119.08591	71.5
121.06529	4.6
121.10150	56.6
123.08064	7.9
123.11707	37.4
129.06989	10.3
131.08575	31.1
133.10124	53.6
135.08046	4.9
135.11691	32.7
135.78116	4.6
137.13264	11.1
138.39536	3.9
143.08569	25.3
145.10123	56.0
147.11684	53.7
149.09613	4.8
149.13272	10.8
155.08545	7.9
157.10143	32.3
159.11690	47.1
161.09673	11.1
161.13251	37.0
163.11195	14.1
163.68362	4.8
167.78619	4.6
169.10138	8.4
171.11725	23.7
173.09656	7.3
173.13245	27.8
175.11243	6.6
175.14854	21.6
177.12773	7.7
177.16380	6.2
183.11736	11.7
184.12437	5.1
185.13313	21.7
187.11232	4.8
187.14836	36.7
189.12764	13.4
189.16393	15.2
195.11765	8.1
197.13306	10.6
199.14825	38.2
200.15552	4.8
201.12746	7.8
201.16370	40.8
203.14326	13.4
203.17854	5.9
205.15921	12.8
209.13232	7.6
211.14854	6.5
213.16385	9.7
215.17998	22.6
217.15868	11.9
223.14864	9.4
225.16444	11.1
227.14316	12.7
227.17952	10.1
229.15892	4.8
229.19498	9.5
231.21080	6.5
239.18034	6.8
243.17439	9.6
245.15317	7.9
251.17889	4.7
255.21077	9.4
259.16965	5.0
271.20932	6.2
295.24130	25.0
311.23615	4.9
313.25226	10.5
319.24359	8.0
323.23743	5.9
337.25317	9.6
363.26837	78.4
372.37488	4.2
381.27850	76.3
382.28381	6.4
410.98163	4.1
417.31332	6.6
435.32605	33.2
453.33734	50.0
471.34723	100.0
472.34406	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01852	4.8
55.05510	16.5
57.07087	5.4
59.04994	6.8
67.05505	29.0
69.03429	17.0
69.07060	23.7
69.46652	22.3
69.47060	11.0
71.61195	4.1
78.93025	4.3
79.05502	25.8
81.03403	5.7
81.07053	67.9
83.04967	6.5
83.08606	11.4
91.05468	40.1
93.07045	53.2
95.04970	13.8
95.08610	73.2
97.06544	8.6
99.08144	4.9
100.95583	4.9
105.04456	5.0
105.07041	71.7
107.04939	6.1
107.08598	98.8
108.19793	4.5
108.42018	4.3
109.06488	11.0
109.10155	72.5
111.08135	5.0
115.05476	5.0
117.07038	14.3
119.08586	87.4
121.06487	10.7
121.10149	87.7
123.08073	15.0
123.11718	40.1
128.06219	4.7
129.06999	11.1
131.08571	39.0
133.10146	81.3
135.08043	12.7
135.11681	38.3
137.09526	6.7
137.13255	16.3
141.07043	6.6
142.07797	7.2
143.08563	32.7
145.10129	62.8
147.07994	6.6
147.11668	54.7
149.09604	7.0
149.13243	17.2
155.08624	9.3
156.09375	5.0
157.10162	36.5
159.11702	60.0
161.09625	18.9
161.13252	46.2
163.11189	20.6
165.12724	8.1
169.10161	18.4
170.10867	5.5
171.11650	31.6
173.13275	33.5
175.11211	17.6
175.14842	34.0
177.12721	4.7
177.16400	7.1
179.14325	7.7
181.10135	9.9
183.11678	21.3
185.13248	28.1
187.11180	7.1
187.14833	40.6
189.12787	22.8
189.16301	21.9
195.11710	8.1
197.13275	12.3
199.14764	41.4
200.15535	6.7
201.12766	10.4
201.16396	49.1
203.14308	17.0
205.15872	15.6
209.13272	12.7
211.14832	12.2
213.16345	12.0
215.14374	7.2
215.17924	25.8
217.15884	19.6
223.14937	9.5
225.16428	18.7
227.14348	12.6
227.17891	12.2
229.19478	13.9
231.21155	9.0
233.15291	5.7
235.55859	5.1
237.16417	5.5
243.17522	11.6
245.15392	15.6
253.19388	6.4
255.21140	7.9
257.22546	8.2
261.18518	5.1
269.22794	6.7
271.20694	6.3
293.22504	4.3
295.24176	29.2
299.20102	5.7
311.23721	6.2
313.25186	18.7
319.24399	10.2
321.25873	7.5
333.25696	5.7
335.27356	5.8
337.25180	5.4
353.28439	9.2
363.26840	83.1
381.27863	93.1
382.28409	6.0
395.29449	9.5
407.32898	5.6
435.32785	33.8
453.33536	47.5
471.34763	100.0
472.34927	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	471.3469
Annotation	Fatsicarpain G
Peak:m/z	Relative Intensity
51.15860	4.2
55.05507	16.6
57.07074	8.7
59.04992	7.1
64.34325	4.2
67.05512	30.7
69.03421	11.8
69.07059	27.5
69.46559	37.8
71.04984	6.9
79.05486	22.5
81.07058	54.8
83.08641	6.5
86.21561	4.4
90.38287	4.3
91.05489	36.2
93.07045	52.9
95.04965	11.9
95.08605	69.4
97.06528	11.6
98.21628	4.5
105.07032	61.2
107.08602	80.4
109.06509	13.6
109.10161	54.2
117.06994	15.2
119.08582	83.6
121.10152	74.2
123.08063	10.3
123.11707	52.5
128.06187	5.7
129.07008	13.7
131.08577	35.4
133.10143	63.2
135.08037	6.0
135.11684	39.1
137.09673	6.5
137.13251	9.4
141.06972	5.4
142.07712	5.2
143.08553	36.1
145.10133	54.0
147.08052	7.6
147.11685	52.5
149.09660	8.0
149.13257	13.8
151.11145	5.1
153.06818	4.9
155.08540	10.0
157.10124	35.4
159.08066	6.4
159.11671	43.6
161.09584	13.3
161.13264	35.7
163.11137	16.8
163.14822	9.4
169.10092	10.3
171.11684	30.1
173.13200	31.1
175.11209	15.0
175.14897	24.4
177.16405	7.5
183.11705	14.3
185.13220	29.6
187.11227	11.1
187.14806	34.5
189.12756	23.2
189.16434	23.9
191.17964	5.6
193.04997	6.8
197.13255	10.6
199.14799	40.5
200.15463	6.1
201.16393	44.5
203.14276	13.9
203.17873	7.4
205.15761	10.8
209.13277	12.0
211.14767	7.7
213.16350	13.7
215.17978	21.7
217.15869	17.0
225.16353	9.9
227.14305	14.8
229.15883	7.3
229.19441	6.3
233.04489	6.8
233.15501	5.4
234.04784	11.9
239.17845	7.5
241.15860	5.2
243.17366	9.0
245.15471	17.6
263.16196	5.2
265.19504	5.9
295.24280	24.2
299.19949	6.5
311.23550	7.0
311.46567	4.9
313.25223	18.0
335.27280	6.1
337.25082	6.7
341.24759	5.7
363.26770	80.1
381.27887	93.0
382.28293	7.0
413.29919	6.3
417.31323	6.6
435.32425	33.4
453.33667	62.1
471.34656	100.0
472.35004	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	471.3465
Annotation	Kunzeanone C
Peak:m/z	Relative Intensity
55.05508	15.9
56.96563	5.7
57.03423	3.6
57.07063	6.5
59.05003	3.4
67.05510	21.5
69.03426	11.8
69.07072	28.1
70.06593	3.4
71.04983	7.5
71.53313	6.0
77.03941	3.6
79.05496	23.8
81.03427	4.4
81.07061	48.6
83.04967	10.0
83.08621	9.5
85.06565	5.2
88.13455	3.2
91.05482	25.7
93.07043	49.8
95.04970	10.3
95.08609	56.3
97.06538	6.7
97.10175	5.4
100.98264	3.0
103.05496	3.8
105.03396	5.7
105.07034	46.5
107.08598	73.3
109.06525	12.8
109.10154	42.6
111.08041	7.5
111.11715	4.5
113.09637	5.9
116.82220	4.0
117.07015	16.4
119.08579	55.8
121.06532	8.3
121.10143	77.3
123.08093	11.8
123.11699	24.7
125.09628	5.0
128.06256	3.6
129.07011	4.7
130.07758	5.0
131.08585	33.8
133.02855	19.2
133.06505	3.7
133.10138	59.2
135.04416	9.1
135.08069	8.8
135.11681	33.7
137.09656	4.5
137.13249	6.3
141.07014	3.7
142.07832	3.4
143.08549	19.2
145.10114	41.6
147.04376	3.6
147.06631	3.0
147.08025	7.4
147.11665	29.8
149.09676	8.3
149.13292	13.6
151.03941	4.5
151.11232	3.9
155.08606	11.7
156.09245	4.5
157.10133	24.3
159.08070	8.5
159.11691	38.3
161.09624	14.0
161.13232	17.4
163.11182	9.9
163.14815	9.7
167.08647	4.3
169.10158	7.9
170.10934	3.1
171.11714	13.6
173.09644	12.2
173.13240	27.9
174.13792	3.7
175.11226	10.0
175.14809	20.3
177.12785	9.9
177.16396	11.4
181.10091	4.3
182.10803	3.0
183.11700	13.1
183.16319	3.4
185.13226	26.6
187.14833	17.7
189.09142	17.8
189.12804	6.5
189.16391	16.5
191.14285	6.6
191.17950	3.4
195.11830	5.1
197.13315	9.4
199.14828	19.7
200.15436	6.9
201.09131	10.4
201.12798	8.4
201.16380	22.5
203.14363	7.9
205.15927	5.4
209.13254	10.3
209.15219	3.8
211.11424	4.0
211.14877	9.7
213.12759	5.0
213.16364	8.5
215.14325	5.1
215.17921	16.3
217.15840	8.6
219.17422	6.4
221.13278	3.5
223.14687	4.8
225.16367	10.7
227.14311	9.4
227.17975	10.3
228.14662	3.5
229.15903	7.2
229.19562	7.8
233.15416	6.0
235.14883	6.1
237.16345	5.0
241.15898	5.4
241.19589	5.1
245.15393	14.9
253.19569	4.3
255.17601	4.4
257.15311	15.7
258.15427	3.8
265.19577	5.0
267.17883	3.2
267.21054	4.3
271.20535	4.0
279.21262	4.0
293.22467	8.9
295.24326	11.0
299.20038	4.7
311.23587	4.7
313.21896	3.2
313.25241	14.0
319.24054	4.1
321.21759	3.2
331.26260	13.3
337.25214	8.2
345.25845	3.8
358.13403	10.0
363.26776	40.1
376.14352	7.7
381.27893	58.6
382.28204	4.2
394.34363	3.6
399.28851	34.3
417.31631	7.3
435.32718	37.5
453.33633	60.0
454.34155	4.3
471.34750	100.0
472.35092	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3468
Annotation	Ganoderiol B
Peak:m/z	Relative Intensity
55.05498	12.8
57.07058	5.4
59.04977	14.2
66.34298	3.2
67.05508	26.4
69.03414	11.6
69.07079	20.1
69.47363	24.3
71.04987	8.6
79.05501	19.1
81.03401	3.2
81.07055	43.3
83.04961	5.0
83.08616	12.6
91.05457	26.0
93.07049	52.0
95.04964	8.3
95.08605	71.6
97.06519	7.1
98.20767	7.3
105.07019	56.6
107.08593	80.1
109.06493	14.6
109.10154	62.6
111.08045	4.0
117.07007	10.9
119.08574	76.2
121.10135	75.6
123.08056	10.8
123.11703	36.8
128.06197	3.5
129.06950	10.5
129.09053	4.1
131.08546	33.3
133.10127	75.0
135.07985	12.4
135.11696	34.6
137.09625	6.1
137.13234	14.1
142.07785	5.3
143.08545	27.1
145.10124	62.8
147.07990	5.2
147.11696	49.9
149.09575	10.0
149.13242	18.3
151.11166	5.5
155.08504	4.9
157.10161	26.6
158.10858	4.6
159.08031	5.4
159.11697	53.1
161.09619	16.6
161.13263	44.4
163.11160	16.3
163.14842	7.7
165.12747	4.8
166.07646	4.2
168.08932	3.8
169.10098	13.1
171.11638	24.4
173.13293	31.6
175.11197	14.0
175.14853	25.4
177.12714	4.2
177.16368	9.9
181.10146	6.4
183.11705	18.5
185.13252	25.6
187.11125	5.4
187.14789	35.0
189.12729	13.7
189.16368	21.9
191.10544	4.6
191.14261	4.3
193.12134	3.3
195.11723	5.5
197.13277	15.5
199.14809	48.9
201.12634	7.5
201.16388	45.1
203.14372	13.3
203.17944	9.7
205.15855	9.8
209.13295	8.4
211.14752	13.2
213.12764	4.3
213.16400	12.2
215.14363	8.7
215.17938	24.4
217.15878	16.5
218.63808	3.4
223.14714	6.6
225.16353	14.1
227.14270	9.2
227.17865	8.6
229.15886	5.4
229.19498	12.0
231.17488	6.1
233.15601	3.9
237.16367	5.8
239.17909	6.9
241.15799	5.0
241.19498	5.6
243.17389	12.5
245.15390	16.0
253.19542	5.7
255.20921	6.0
257.22705	4.3
259.16974	6.5
261.18521	7.2
263.16412	5.6
265.19794	3.9
269.22644	4.2
271.20654	5.8
279.19754	5.7
293.22458	4.7
295.24124	23.6
299.19949	6.8
313.25235	13.5
319.24081	7.5
321.25711	6.1
335.22510	3.7
337.25223	4.4
351.26880	5.9
352.09845	3.6
353.28439	5.2
363.26822	84.9
367.32718	4.3
374.77917	3.9
377.27939	4.6
381.27838	88.6
389.32095	4.4
395.29312	9.7
417.31406	8.3
435.32550	35.2
453.33649	64.9
454.33923	5.2
471.34680	100.0
472.34863	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	471.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90382	3.9
55.01838	5.2
55.05494	12.9
57.07062	19.3
59.04998	7.1
59.09327	4.5
67.05518	32.6
69.03418	13.4
69.04206	5.0
69.07051	15.7
70.88902	12.0
71.04986	4.6
76.72842	4.2
79.05501	26.4
81.03409	20.0
81.07053	71.4
83.04959	6.6
83.08611	12.0
91.05489	41.4
93.07055	38.0
95.04989	33.0
95.08600	59.7
95.14491	4.6
99.08054	5.4
105.07037	60.4
105.35446	5.8
107.04921	8.3
107.08585	60.6
108.08898	7.6
109.06475	17.5
109.10147	43.2
111.08083	9.5
115.05456	6.7
117.06989	10.5
119.08567	59.9
121.06502	19.0
121.10137	50.2
122.89877	5.1
123.08057	14.6
123.10893	7.1
123.11693	39.4
128.06223	8.5
129.06989	18.3
130.07765	5.6
131.08546	54.7
133.10120	55.7
135.08054	12.3
135.11688	25.9
137.13231	8.2
142.07729	12.9
143.08545	52.4
145.10121	57.7
146.10880	13.7
147.08032	20.6
147.11667	74.9
149.09622	12.6
149.13229	10.2
151.11142	6.2
154.07646	4.9
155.08533	27.5
156.09294	17.4
157.10109	41.1
159.08049	15.7
159.11697	43.3
161.09576	25.9
161.13284	33.0
163.11172	7.8
167.08731	4.6
169.10095	20.8
169.11403	4.7
171.11687	100.0
173.09624	18.7
173.13301	24.3
175.11176	19.7
175.14786	14.1
177.12880	5.2
181.10190	9.8
183.11699	20.5
185.09612	5.3
185.13242	35.1
186.39539	5.1
187.11168	7.4
187.14836	25.0
189.12740	54.0
189.16367	17.3
193.10083	5.7
195.11636	9.5
197.13292	34.8
199.11224	10.9
199.14790	36.1
201.12732	13.5
201.16408	26.7
203.14313	13.4
207.11774	5.9
209.13179	11.0
211.14836	12.3
213.12659	8.1
213.16425	16.4
215.14288	11.6
217.15886	9.9
221.13275	6.5
223.14838	11.1
225.16364	10.3
227.14287	12.2
227.17845	6.8
229.15825	7.3
229.19287	5.9
241.15741	4.8
241.19597	6.6
243.17499	6.3
245.15244	7.6
247.14703	5.9
249.16219	7.1
257.15384	9.5
265.15851	58.4
265.19461	26.8
283.20517	17.6
285.18597	4.7
291.17358	11.8
291.20703	5.1
293.18878	18.4
295.24231	10.2
299.20126	13.2
307.20569	86.0
309.18417	26.6
309.22046	16.9
313.25272	7.5
333.22202	23.7
337.25244	10.9
351.23196	96.0
351.27209	10.6
363.26752	34.3
381.27872	33.5
393.24097	16.0
411.25299	62.9
417.31412	6.9
435.32336	19.2
453.33539	33.3
471.34732	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01871	2.1
55.05511	4.9
57.03444	0.7
57.07072	1.3
65.03950	1.4
66.04741	0.5
67.05510	10.3
69.03436	2.9
69.07069	6.1
69.21722	5.5
71.01363	1.7
71.05000	1.9
77.03932	0.7
78.57006	0.5
79.05495	25.5
81.03423	1.1
81.07057	100.0
82.07391	1.5
83.04983	2.1
83.08612	2.2
85.06549	4.2
91.05479	18.8
92.05820	0.6
93.07043	18.0
95.04971	3.7
95.08611	13.6
97.06528	1.7
97.10160	1.8
99.04465	0.8
103.05489	1.0
105.04555	0.6
105.07027	22.7
107.04971	1.1
107.07874	1.2
107.08598	20.9
109.06517	42.0
109.10143	4.5
111.08064	2.8
112.56005	0.5
113.06010	0.6
115.05476	1.7
116.06242	0.9
117.07020	8.6
119.08579	21.7
120.07100	0.5
120.08929	0.9
121.06505	2.8
121.10144	9.1
123.08071	4.3
123.11690	2.9
125.05947	0.7
125.09650	1.4
127.07458	0.5
128.06194	2.9
128.74811	0.5
129.07011	5.1
130.07765	2.2
131.08571	22.9
133.06477	1.8
133.10133	19.5
135.08054	20.1
135.11685	4.1
137.09618	1.9
141.07002	2.9
142.07779	6.3
143.08563	14.8
144.09328	1.5
145.06514	0.7
145.10127	31.8
146.07358	0.6
147.08032	3.2
147.11673	10.2
149.09627	14.6
149.13242	1.2
150.09976	0.6
151.07527	1.2
151.11209	1.7
153.07014	1.3
153.09131	0.6
154.07745	0.7
155.08560	6.1
156.09352	3.6
157.10124	25.9
158.10953	2.7
159.08087	2.8
159.11697	29.4
160.12103	1.2
161.09616	11.4
161.13246	4.7
163.11186	1.8
163.14851	0.7
165.07034	1.2
165.09129	1.4
167.08612	2.1
168.09312	2.9
169.10143	8.3
170.10901	2.6
171.08093	0.8
171.11678	13.4
172.12352	1.7
173.09651	5.0
173.13272	17.6
174.10477	0.6
175.11195	5.7
175.14818	4.0
176.11650	0.5
177.09137	2.0
177.12752	1.2
179.08636	2.6
179.10645	4.7
180.09441	1.1
181.10094	4.8
182.10895	2.0
183.11690	14.3
183.13217	0.9
184.12442	1.5
185.09683	2.3
185.13260	14.7
186.13979	0.6
187.11182	5.9
187.14816	9.3
189.09146	1.2
189.12730	4.1
189.16400	1.2
191.10678	3.0
191.14317	0.9
192.09393	1.2
193.10451	2.6
193.12143	3.3
194.10895	2.2
195.11746	5.9
196.12498	1.5
197.09628	1.0
197.11464	0.9
197.13234	8.2
198.14040	0.8
199.11166	4.0
199.14842	8.9
200.15610	1.3
201.09047	0.5
201.12749	15.5
201.14508	1.3
201.16389	14.7
201.18314	0.9
202.13336	0.8
203.10701	2.4
203.14294	3.7
204.09445	0.6
205.10168	1.6
205.12280	2.8
205.15878	0.7
206.10899	1.2
207.11723	3.3
208.12447	1.2
209.13268	4.6
210.14041	0.9
211.11249	1.4
211.14780	2.8
213.12759	1.9
213.16359	2.0
215.10669	1.6
215.14366	5.3
215.17937	5.7
217.10262	0.9
217.12241	2.7
217.15793	2.8
219.11690	1.6
219.13858	1.9
219.17473	1.3
220.12424	0.7
221.13272	4.7
222.14090	0.7
223.11304	0.9
223.14815	5.4
224.15527	0.7
225.12801	2.2
225.16377	5.3
227.14296	3.2
229.12253	1.7
229.15828	0.9
231.11755	0.7
231.13893	2.0
231.17368	0.9
232.12541	0.6
232.18214	0.8
233.13287	1.2
233.15295	4.5
233.19019	0.6
235.14876	1.4
237.16476	2.9
239.14384	1.5
239.18034	1.7
241.12321	0.8
241.15866	3.3
243.13847	5.6
243.17456	16.1
244.18039	0.8
245.13130	1.1
245.15378	7.2
247.15060	1.3
249.16368	3.3
251.14322	1.4
251.18039	1.3
253.15924	1.3
254.04318	0.6
255.13745	0.8
255.17479	1.4
257.15506	1.0
257.19061	3.3
259.17035	2.7
261.18558	4.7
263.17981	1.6
265.15915	2.8
265.19592	1.8
267.14352	0.9
267.17484	3.7
269.15396	1.3
275.18030	1.1
279.17737	1.0
279.21085	1.2
281.19040	2.0
283.17029	1.4
285.18488	9.3
289.19507	0.8
291.17590	1.4
293.18964	1.2
295.17194	0.9
295.20566	0.5
297.18835	0.8
301.18127	1.4
302.18768	0.9
303.19525	8.1
303.22418	0.8
304.19800	0.7
305.19019	0.8
305.22626	0.6
307.17249	1.0
307.20676	3.7
309.18579	3.9
309.22186	17.4
310.22467	1.2
319.24332	0.6
321.22186	0.5
323.20218	1.0
323.23770	5.2
325.18176	0.8
325.21585	2.7
327.23093	1.1
333.18570	0.8
333.22192	4.2
335.20102	0.9
341.21100	0.9
341.24960	1.1
349.21524	1.3
351.23184	16.5
353.21259	1.4
365.24991	1.5
367.22678	3.4
369.24280	10.7
370.24530	0.9
375.23154	1.5
393.24139	5.9
411.25327	13.6
429.26404	1.2
453.26743	0.7
471.27463	39.1
471.34537	1.8
472.27759	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	471.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.8
55.01863	5.5
55.05513	11.1
57.03430	2.4
57.07076	8.0
58.29432	2.7
59.05000	4.2
65.03931	3.3
66.48515	2.0
67.05502	22.3
69.03416	7.4
69.07072	18.1
70.06580	4.2
70.37318	5.4
70.37687	5.0
71.04996	3.7
79.05495	25.9
81.03412	5.3
81.07053	47.7
83.04967	7.7
83.08618	7.8
84.08138	3.6
85.02925	3.9
85.06541	6.2
88.71378	1.9
91.05475	31.5
93.07040	46.0
95.01349	3.6
95.04967	19.2
95.07611	2.3
95.08612	29.8
97.02885	4.0
97.06538	6.9
97.10188	3.5
99.08101	2.5
101.50970	2.3
103.05467	3.8
105.03391	10.4
105.07032	44.6
107.04971	6.8
107.08585	45.0
109.02893	5.6
109.06507	13.4
109.10160	24.9
111.00813	3.4
111.08100	7.5
115.05471	6.2
117.07019	14.3
119.04916	5.1
119.08575	37.4
121.06513	11.2
121.10146	56.3
123.04420	6.2
123.08051	12.6
123.11716	9.2
125.05994	6.8
125.09625	4.1
126.09092	2.3
127.03886	3.4
128.06223	6.0
129.07008	10.3
131.04913	3.0
131.08560	23.3
133.02876	6.8
133.06480	8.2
133.10124	25.5
135.04411	3.0
135.08057	14.7
135.11665	14.9
137.05937	2.7
137.09619	7.6
137.13193	3.0
139.03922	3.2
139.11191	3.1
141.06990	9.3
141.09105	2.2
142.07791	8.6
143.08548	15.8
144.09335	2.9
145.06522	7.1
145.10114	25.7
147.04453	6.2
147.08054	9.4
147.11705	19.6
149.09618	100.0
149.13272	7.5
151.07538	2.9
151.11160	5.6
153.06999	7.0
154.07755	3.6
155.08528	11.7
156.09387	5.6
157.06454	3.3
157.10152	24.2
158.10844	2.4
159.08046	8.4
159.11697	27.4
161.06026	5.0
161.09631	12.1
161.13234	12.6
162.09142	2.6
163.07578	4.6
163.11185	7.6
163.14807	6.6
165.05672	3.2
165.07022	7.3
165.09113	4.5
165.12737	5.2
166.07788	3.9
167.08568	5.9
167.10706	3.4
168.09326	3.6
169.06476	3.1
169.10164	16.1
170.10924	5.5
171.08078	7.4
171.11694	13.0
172.08803	4.2
173.05956	2.9
173.09630	10.1
173.13237	15.3
175.07596	7.4
175.11188	12.0
175.14883	4.6
177.12779	4.6
177.16435	2.9
179.08559	6.4
179.10602	2.4
180.09300	3.3
181.10101	9.4
181.12192	3.1
182.10742	2.8
183.08067	5.8
183.11629	14.2
185.06068	3.0
185.09654	9.7
185.13237	11.7
187.07458	3.7
187.11208	8.2
187.14853	10.3
189.05513	3.1
189.09113	3.7
189.12746	8.8
189.16397	6.5
191.10730	4.0
191.14400	3.0
192.09395	3.4
193.10149	9.9
193.12129	3.2
195.08095	4.7
195.11720	9.4
196.08934	2.5
197.06035	2.8
197.09721	6.5
197.13293	10.6
199.07692	3.4
199.11177	8.7
199.14850	10.5
201.05502	3.6
201.09019	2.4
201.12758	8.8
201.16393	8.8
203.06975	2.8
203.08658	4.5
203.14293	5.1
203.17990	3.1
204.09442	5.4
205.10182	4.8
205.12080	4.1
205.15862	16.4
206.10878	4.2
207.11684	8.6
209.09625	8.0
209.13303	10.1
211.11209	7.5
211.14909	6.4
213.05501	2.5
213.12752	11.7
213.16373	4.5
215.10759	4.2
215.14352	5.6
215.18082	6.4
217.10172	4.9
217.12270	14.9
217.15883	6.8
217.19592	3.4
219.06450	5.9
219.11661	3.0
220.08873	3.4
221.09601	4.4
221.13312	6.5
223.07677	3.4
223.11197	5.5
223.14801	6.2
225.09245	2.8
225.12732	6.3
225.16425	6.5
227.10732	2.9
227.14320	3.2
229.12244	3.5
229.16040	4.5
230.10873	3.2
231.08061	3.6
231.11717	3.9
231.17482	5.5
233.13391	4.2
235.11249	5.2
235.14891	3.5
237.09175	4.0
237.12743	5.1
239.10815	4.0
239.14290	4.0
243.13811	3.5
243.17430	4.7
244.12477	2.8
245.13235	4.6
245.15440	3.5
246.10527	4.3
247.11174	4.6
249.09212	2.8
249.12750	5.8
251.14500	4.0
253.12332	2.6
259.11188	5.0
261.12799	3.4
262.13516	2.8
263.10703	5.1
263.14279	5.1
265.19696	2.9
267.14005	3.6
273.12753	5.2
275.14133	2.7
277.12051	2.5
279.13913	2.8
279.17410	4.4
281.11786	2.9
281.15204	2.8
285.18347	3.2
289.12268	3.0
291.13837	3.7
293.15549	3.1
295.13474	2.5
297.18530	3.2
299.16641	2.7
305.11499	2.8
307.13123	2.7
309.14755	3.4
309.22141	2.8
311.12799	3.7
315.15799	5.4
319.13522	3.0
319.16934	2.6
347.12732	3.6
351.12350	2.9
361.18008	5.5
369.13025	3.5
369.24112	3.2
371.16068	3.2
375.11743	2.8
379.19028	5.2
383.15118	2.6
389.17493	8.7
391.19345	4.2
397.20178	2.8
407.18433	12.6
409.20151	2.9
411.25400	3.4
417.17014	5.9
417.31467	3.3
425.19778	13.8
435.18033	10.4
435.32880	12.8
453.19220	25.1
453.33780	43.8
471.14114	3.4
471.20935	17.8
471.27414	7.8
471.34995	36.4
472.25592	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	471.2015
Annotation	Zapoterin
Peak:m/z	Relative Intensity
53.03942	3.2
55.01870	5.5
55.05506	5.5
57.07074	2.1
59.04992	6.1
64.99707	1.8
67.05508	7.9
69.03434	4.0
69.07062	11.5
70.57844	3.4
71.04974	3.0
78.73302	1.6
79.05477	9.6
81.03423	11.1
81.07057	10.2
83.04984	4.2
85.02892	3.6
88.86518	2.0
91.05488	13.1
93.07038	14.4
95.00764	3.7
95.01337	47.4
95.04964	8.4
95.08612	12.8
97.06539	3.1
97.08455	1.8
99.08105	2.6
103.05499	4.8
103.58056	1.8
105.03444	2.9
105.07037	28.3
107.04923	3.8
107.08598	14.9
107.96527	1.9
109.06551	10.0
109.10169	8.9
111.08109	2.8
111.34820	1.7
117.07006	7.4
119.08561	16.8
121.02864	6.7
121.06514	8.7
121.10149	8.0
123.08063	3.6
125.09622	4.5
128.06215	4.5
129.07007	4.7
131.04926	8.0
131.08586	8.7
133.06509	15.7
133.10110	9.1
135.04471	3.9
135.08061	5.0
135.11720	4.7
137.05974	7.0
137.09616	2.9
141.06985	3.1
142.07751	2.4
143.08586	7.2
145.06485	7.4
145.10139	8.9
147.08089	9.1
147.11707	6.4
149.06018	2.9
149.09590	4.6
153.05504	3.0
153.07059	3.0
155.08580	7.6
157.06439	2.9
157.10129	7.0
159.04408	5.8
159.08058	9.2
159.11723	6.3
160.76776	2.1
161.05997	53.2
161.09613	8.2
161.13310	2.8
163.11191	3.6
165.06944	3.2
165.09219	2.3
166.07817	2.3
167.08560	4.2
169.10188	6.2
171.08031	5.2
171.11626	4.2
173.05927	2.9
173.09613	3.9
173.13275	3.9
175.07544	14.4
177.05565	3.0
179.08554	4.6
180.09381	2.6
181.06621	2.3
181.10069	4.8
183.08063	4.5
183.11766	3.7
185.09637	4.2
187.03885	2.6
187.07581	8.2
187.11192	5.3
187.14845	3.1
189.05415	3.9
189.16411	2.8
191.14275	3.2
195.08113	4.1
197.09631	10.3
197.13208	3.2
199.07544	3.3
199.14827	2.7
201.05499	5.6
201.09108	3.1
201.12810	3.0
205.04994	16.1
205.10217	3.6
205.12213	2.3
205.15904	3.9
207.11656	3.0
208.08809	2.0
209.09610	3.8
211.11151	3.2
213.09085	4.5
215.10542	2.4
217.10344	2.5
219.06340	3.1
219.11804	3.0
220.12317	1.9
221.09619	2.7
223.11166	3.8
225.09114	4.6
225.12607	2.7
225.16177	2.6
227.06915	2.5
227.10660	3.1
229.10121	2.2
233.09589	3.7
235.07593	2.7
235.11125	4.2
236.11624	2.5
237.09113	4.9
237.12732	2.9
239.10690	5.1
246.10513	2.1
247.11182	5.9
249.09195	3.2
251.10869	3.5
251.14349	2.7
253.12296	2.5
255.13844	2.6
259.11188	3.2
261.12741	4.0
263.10681	3.4
265.12314	4.7
267.09927	2.1
271.11456	3.5
277.12308	2.8
277.15680	2.5
279.10580	2.1
279.13797	6.1
280.14706	1.9
287.10693	2.6
289.12137	3.4
293.15326	4.7
295.16858	2.7
303.13776	4.8
305.11832	2.2
305.15247	3.6
307.13263	4.8
309.11087	2.2
321.14862	5.5
323.13007	3.5
323.16553	5.6
325.14459	3.8
331.13120	4.1
335.16348	5.7
337.17969	3.0
347.12827	3.1
347.16531	3.0
349.14417	10.8
351.15982	4.1
363.19507	2.8
365.17456	3.9
367.15320	9.2
367.19156	5.1
369.17007	5.4
382.17499	3.2
383.18536	2.8
391.19070	4.8
393.17056	3.4
407.18457	8.2
409.19913	9.0
411.18018	7.4
425.19580	100.0
426.19846	4.2
427.20862	2.9
435.17947	9.9
435.32629	3.2
453.19012	6.2
453.33737	3.8
471.20306	54.4
471.34579	8.9
472.20572	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2013
Annotation	Toonaciliatin B
Peak:m/z	Relative Intensity
53.03939	5.9
55.01872	10.5
55.05506	5.3
60.28892	2.5
65.03948	2.2
67.05502	16.3
69.03421	6.2
69.58921	4.2
69.59333	11.7
72.55682	2.0
79.05492	19.7
81.03418	8.9
81.07058	10.7
83.04956	14.0
91.05475	30.0
93.07021	11.1
95.01329	62.2
95.04964	33.5
95.08617	5.0
97.02900	2.8
97.06566	2.4
103.05476	4.8
105.07031	59.5
105.76761	2.1
107.04939	4.0
107.08587	42.2
109.06522	3.8
109.10166	12.2
111.04430	2.4
113.92606	2.2
115.05462	6.9
117.07044	11.5
119.04948	2.3
119.08581	27.5
121.02841	2.6
121.06512	8.5
121.10139	8.0
123.04420	7.8
123.08059	7.9
125.09639	7.2
128.06242	8.2
129.07033	13.7
131.08545	8.1
133.06483	30.1
133.10083	5.6
135.08044	26.1
137.05966	3.8
141.06952	3.1
142.07791	5.4
143.08563	8.2
145.06496	7.0
145.10126	9.2
147.04369	2.5
147.08055	27.1
147.11696	4.0
149.05998	2.8
149.09642	10.6
149.13252	2.6
153.07018	2.7
153.09131	6.4
154.07703	3.3
155.08575	5.5
157.06503	6.3
157.10100	7.2
159.04367	3.4
159.08044	16.9
159.11716	5.2
161.05981	100.0
161.09605	8.6
162.06592	4.5
163.07518	5.6
163.11125	2.2
167.08502	3.1
169.10098	5.1
171.08031	6.5
171.11710	4.3
172.08879	2.5
173.05960	4.1
173.09628	7.0
173.13205	2.8
175.07541	57.7
175.09044	3.9
175.11142	2.6
176.07805	3.0
177.05354	2.8
177.09129	7.2
179.08589	3.5
181.10094	4.4
182.07312	2.2
183.08173	4.0
183.11639	5.4
185.09659	6.4
186.10362	2.9
187.07562	11.2
187.11212	6.4
187.14865	2.6
189.09117	6.0
189.12784	3.1
193.08559	2.6
193.10167	4.0
195.08122	4.2
197.09663	6.6
197.13193	2.5
199.07542	7.9
199.11201	4.6
199.14784	2.7
201.05490	5.5
201.09027	6.0
201.12837	3.4
203.10670	2.5
205.04994	8.9
206.11060	2.3
207.11769	3.7
209.09622	4.9
210.10487	2.4
211.07556	2.5
211.11235	6.8
213.09120	4.7
213.12735	3.0
214.09879	6.2
215.10674	2.5
219.06490	9.6
221.09680	2.5
225.09047	3.9
227.10620	4.9
229.12187	3.3
235.07628	3.3
237.12820	4.2
239.10684	2.8
243.10158	7.9
249.12671	3.8
251.10838	3.3
253.12250	4.0
257.11835	2.7
259.11090	2.7
261.12784	2.7
263.10699	3.2
265.12299	4.4
267.13779	3.5
275.12769	2.7
277.12155	3.2
279.13785	3.3
293.15225	2.7
296.90778	2.3
303.13797	2.3
307.13336	9.7
311.16373	6.9
313.12036	2.9
319.16873	3.0
321.14722	3.0
331.13129	2.6
343.16968	3.2
349.14203	7.9
349.17966	3.5
361.17935	5.8
367.15448	9.8
371.16431	3.7
379.18933	3.8
389.17477	2.9
391.18970	6.0
407.18552	7.6
409.20203	5.0
425.19562	52.1
426.20062	7.3
435.18134	3.3
453.19180	6.4
458.21863	2.7
470.36282	2.8
471.14420	4.3
471.20279	39.9
471.34702	6.2
472.20804	2.4
476.95712	2.8
495.78989	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.3
54.51128	2.7
55.01857	2.6
55.05498	9.8
65.03952	3.1
67.05495	11.3
69.03426	6.3
69.07061	12.5
69.73399	7.3
69.73810	10.7
71.04990	4.7
76.02220	3.6
79.05487	12.3
81.03374	3.3
81.07050	19.8
83.04970	6.6
85.06528	8.0
86.09656	2.7
91.05480	13.1
93.07038	13.7
93.30264	3.3
95.04956	14.1
95.08606	20.8
97.06509	5.7
105.03391	100.0
105.07027	17.9
106.03697	4.1
107.08618	21.8
109.02895	3.5
109.06532	6.1
109.10136	15.9
111.08093	4.6
117.07024	5.1
119.08590	24.3
121.10151	16.3
123.08069	4.3
123.11679	4.7
125.09589	6.3
131.08571	7.3
133.10121	16.9
135.08075	3.9
135.11691	10.3
137.05936	4.3
137.09668	3.7
143.08528	4.8
145.10117	17.0
147.04352	5.7
147.11671	11.2
149.09676	4.1
149.13277	8.1
157.10162	8.5
159.04410	5.6
159.08032	3.9
159.11691	15.9
161.13289	10.8
165.09117	5.8
171.11679	3.4
173.13274	5.9
175.03902	43.3
175.14806	7.2
177.05472	7.4
185.13365	5.0
187.03955	15.0
187.14818	8.8
189.05507	6.6
189.09125	7.3
189.16405	8.3
199.14674	4.0
201.16408	19.1
203.17917	3.6
213.05450	4.8
215.17841	4.8
219.17442	8.8
226.06340	3.9
229.08618	13.0
231.10115	7.0
231.17415	4.6
241.08585	12.4
243.10172	11.9
245.08183	4.5
247.09622	20.9
247.16963	3.1
259.09720	3.9
261.18570	3.4
292.08139	4.4
295.13196	5.8
307.09427	4.8
313.14282	20.7
331.15378	13.2
334.13162	7.4
347.10229	8.5
395.16617	3.3
407.16043	9.8
425.16901	12.5
435.32327	8.5
453.18835	3.7
453.33392	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	471.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31019	0.8
53.03938	2.8
55.01868	2.3
55.05517	1.2
57.03433	0.9
67.05508	1.7
69.03419	5.0
69.07059	0.9
70.06594	6.4
70.84398	1.7
71.05006	1.4
71.19028	0.8
72.08144	1.3
74.47212	0.7
77.12770	0.7
79.05498	2.6
81.03419	5.2
81.07055	2.3
83.04977	2.8
83.37185	0.8
84.04499	0.9
84.08135	2.9
85.02910	7.9
85.06533	1.3
86.09708	4.1
87.00838	2.8
88.03935	0.7
91.05478	5.5
92.14510	0.8
93.07039	3.3
93.38499	0.9
95.04993	3.7
95.08599	2.0
97.02876	4.7
99.04431	2.3
103.05437	1.1
105.01870	1.7
105.04501	1.1
105.07011	3.3
107.04958	7.7
107.08582	3.1
108.05742	1.6
109.02882	4.7
109.06515	11.6
109.10179	0.8
117.06993	1.3
119.08562	3.2
120.04458	0.7
120.08096	1.5
121.06505	100.0
121.10125	3.4
122.06890	0.9
123.08083	2.6
125.05949	1.5
127.03931	6.2
129.10262	1.5
130.07634	0.7
131.08609	1.2
133.10091	1.0
135.08057	1.6
135.11705	0.9
137.05942	1.1
145.04955	2.2
145.10135	4.0
147.04440	1.1
147.08084	1.0
149.05977	6.5
151.07536	2.0
156.32315	0.8
159.02887	1.6
159.08003	1.4
159.11736	1.4
161.09610	1.5
163.11179	42.7
165.09105	1.8
167.07054	12.4
169.09750	0.7
175.03958	0.8
175.11253	1.0
177.05429	0.8
177.12764	1.6
186.09177	1.9
187.11133	2.6
204.10223	2.1
205.12236	47.3
206.12633	1.4
207.06467	0.8
211.10878	0.9
214.12160	0.9
221.12918	0.9
223.13274	4.3
257.55347	0.9
259.80261	0.8
283.81339	0.9
290.13376	0.8
291.14273	1.0
294.11884	0.7
315.87448	0.7
427.19424	1.6
449.02740	0.8
453.19623	1.0
471.17773	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	471.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.2
55.01873	6.9
55.05521	1.3
57.03444	7.8
61.02927	6.3
61.21986	1.3
67.05490	3.1
68.99777	4.0
69.03429	43.6
69.07045	1.9
70.06588	8.7
71.01368	1.8
71.05000	6.7
71.53186	2.4
72.08144	1.8
73.02924	9.6
75.12613	1.2
79.05492	4.6
81.02937	1.8
81.03416	38.2
81.07041	5.3
83.01353	2.0
83.04959	1.9
84.08144	1.4
85.02906	81.1
86.09709	4.3
87.00834	23.5
87.04469	2.9
91.03946	2.3
91.05480	8.8
93.03407	1.4
93.07043	14.4
95.04957	5.5
95.08592	5.3
97.02893	23.2
97.06535	2.2
99.04455	15.4
103.05466	2.1
105.01862	12.4
105.07040	8.4
107.04969	1.9
107.08592	11.2
109.02877	39.3
109.06534	4.2
109.10148	4.5
111.04429	3.0
111.08040	1.3
117.01842	4.1
117.07021	3.2
119.08571	10.9
121.02894	2.6
121.06483	5.2
121.10136	20.7
123.08060	5.0
125.06026	2.7
127.03907	49.9
129.01837	3.7
129.07008	1.3
130.07799	1.9
131.08551	2.7
133.06482	2.5
133.10191	3.3
134.06009	1.5
135.04410	7.9
135.08072	2.3
135.11691	3.5
137.09647	4.7
139.07574	1.5
139.11139	2.3
143.08562	1.6
145.04939	15.8
145.10112	8.3
147.02896	3.2
147.08031	4.5
147.11697	1.9
148.07524	3.3
149.06041	2.0
149.09618	3.0
157.10068	1.4
159.02907	20.3
159.11688	3.2
160.07602	4.3
161.09671	1.5
161.95702	1.3
163.03946	1.4
163.11160	17.3
165.09103	4.9
167.07082	3.3
177.12749	4.7
181.12228	40.4
185.04228	2.0
187.05931	1.4
187.11142	3.2
189.01854	1.4
191.03398	1.8
205.04988	1.8
205.12236	100.0
213.03802	1.7
223.13293	75.0
225.04224	2.0
229.16328	1.4
231.04971	8.4
253.97350	1.3
278.16208	1.5
293.08380	1.8
307.09454	1.7
308.02994	2.7
308.06607	1.8
309.03726	4.5
309.07541	5.5
310.08173	1.7
311.08911	1.5
321.07681	7.1
322.08331	2.4
336.09949	1.5
337.10474	1.9
339.08658	26.6
340.09030	1.5
351.08475	8.1
365.10294	3.9
385.18460	4.4
389.10007	2.0
393.09622	12.7
405.09528	3.1
417.09583	3.8
423.10721	5.5
435.10730	4.3
435.16055	1.6
453.11679	5.3
471.07962	21.7
471.19440	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01846	0.4
55.05490	0.7
59.07224	0.3
66.70785	0.3
67.05497	1.4
69.03396	0.9
69.07063	0.7
69.93253	0.6
69.93656	1.2
70.06557	0.8
79.05473	1.0
81.03382	1.0
81.07039	1.4
82.06520	0.3
83.04935	0.8
84.08120	0.6
85.02877	0.7
86.09681	0.5
91.05448	0.8
93.07017	1.1
94.06543	0.8
95.04942	1.2
95.08573	1.0
96.04448	0.7
97.02863	0.4
97.06533	0.3
105.03376	2.5
105.07008	1.3
106.03712	0.4
107.08552	1.1
109.02876	0.9
109.10111	0.9
110.03571	0.5
112.07580	1.3
119.08543	0.9
121.06493	0.6
121.10117	1.0
122.06024	1.4
123.11723	0.5
124.07546	0.4
125.09599	0.5
127.03915	0.8
129.06985	0.4
131.08569	0.5
133.10136	0.8
134.06006	0.6
135.04568	0.3
135.06325	0.4
135.11635	0.6
137.05954	0.6
137.09622	0.5
140.07011	0.8
144.08028	0.3
145.10072	0.7
147.11662	0.8
149.09558	0.6
149.13261	0.3
150.05391	0.6
156.99452	0.3
162.09077	0.4
163.11253	0.4
165.09155	0.7
166.05028	1.7
168.06561	10.3
169.06859	0.3
173.13185	0.4
176.10736	0.5
177.05402	0.3
178.04916	0.6
183.11635	0.4
186.07632	3.5
187.06290	0.4
198.05502	0.5
202.08632	0.9
205.15860	0.4
212.07021	0.6
214.04889	0.4
214.08635	0.7
215.05757	3.1
216.06546	2.1
226.04980	0.9
227.05745	0.4
228.06558	0.7
229.03671	0.5
230.04434	1.3
230.08156	2.6
231.08890	0.8
232.09627	0.6
240.06502	0.8
241.07324	1.1
242.05809	0.6
242.08121	1.1
243.05238	3.2
244.06046	13.8
245.06732	3.3
256.06076	0.9
257.06808	1.8
258.07608	25.8
259.08304	3.1
260.08801	0.3
268.05789	0.4
269.06741	0.9
270.07648	1.3
271.04715	1.1
272.05530	9.4
273.06299	28.9
274.06662	0.9
286.07089	27.2
287.07861	100.0
288.08630	83.5
289.05731	3.7
289.08987	3.3
317.22992	0.3
325.10516	0.3
337.19012	0.4
338.19446	0.6
471.14005	24.3
472.14035	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98385	7.3
51.48249	6.8
55.01871	53.9
55.05503	16.6
57.07084	9.0
62.86007	7.1
67.05515	62.6
69.07070	17.9
79.05483	34.7
81.07075	45.0
82.07399	10.3
85.06528	18.5
91.05480	55.5
93.07041	53.3
94.07388	10.0
95.01309	21.7
95.04948	32.1
95.08621	49.6
96.08917	10.8
105.07031	63.0
106.07388	9.8
107.08569	47.6
109.06505	10.1
109.10149	44.5
114.45712	7.8
117.07019	26.8
119.04979	11.4
119.08580	66.0
120.08883	14.5
121.06475	13.8
121.10146	38.1
122.10474	10.0
123.08101	10.4
123.11709	22.8
124.12078	7.5
128.06169	16.2
129.07036	40.7
131.04906	17.3
131.08577	27.1
132.08902	12.0
133.06485	13.6
133.10149	48.2
134.10454	14.4
135.04384	13.6
135.11702	41.2
140.68896	9.7
141.06920	7.8
143.08517	25.0
145.06482	16.3
145.10132	40.8
146.10413	9.2
147.04413	55.2
147.08041	20.0
147.11655	28.6
155.08568	10.7
157.10085	25.3
159.11700	20.4
160.12047	20.1
161.05995	15.7
161.13278	15.8
163.03920	53.5
168.09128	8.1
169.10132	15.9
171.11679	28.5
173.13292	17.7
175.03931	28.4
177.05466	18.8
178.02686	8.5
181.10223	12.1
182.76759	8.9
183.11681	8.9
185.13252	25.3
187.11188	10.5
187.14777	27.7
188.00998	10.4
189.05499	19.8
189.12708	28.0
191.03326	18.9
193.04945	98.0
199.14738	14.5
200.15280	12.5
201.05431	9.8
201.16451	15.2
202.16824	10.2
203.03371	28.0
203.07022	14.5
205.04930	26.4
209.13300	12.0
217.04944	17.3
217.08691	10.7
218.02124	37.7
227.06985	16.2
229.05020	11.7
229.58987	10.1
231.02888	100.0
231.06482	17.7
233.04446	99.7
241.08585	10.2
245.04408	8.6
253.08636	11.1
259.05893	10.5
259.09711	38.4
267.10144	10.2
275.07047	12.8
277.10773	98.4
292.07291	10.5
297.11264	10.2
297.14578	10.0
299.09262	10.0
305.11578	8.3
309.14792	32.7
317.10489	12.4
319.13446	17.5
323.16400	10.4
331.11722	60.0
333.15082	12.7
351.15829	30.4
367.15274	35.6
369.16995	37.1
379.15240	18.1
381.20822	10.1
434.31189	28.3
435.21628	34.3
452.32471	41.5
453.22623	16.1
470.33414	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75582	0.4
53.03940	1.0
55.01865	0.7
55.05513	0.8
57.03420	1.0
59.05003	0.3
60.04515	0.4
61.02921	0.8
63.02382	0.4
66.34862	0.4
67.05498	1.3
69.03424	3.6
69.07054	0.5
69.50053	2.8
70.06593	8.5
71.04996	1.9
72.04514	17.3
72.08136	1.9
73.02905	0.9
79.05519	0.6
81.03423	3.6
81.07062	1.3
82.06567	0.7
83.04987	0.6
84.04508	0.9
84.08136	1.8
85.02905	7.0
86.06063	0.6
86.09692	3.0
87.00819	2.1
89.03898	2.5
91.05499	2.5
92.93819	0.4
93.07047	0.7
95.04981	1.0
95.08607	0.8
97.02885	2.9
98.06037	0.5
98.21481	0.9
99.04449	1.4
100.61218	0.4
103.05437	0.5
105.01854	1.8
105.03371	0.9
105.07002	1.0
107.04936	0.5
109.02901	2.9
109.06515	0.9
110.02399	0.9
110.51795	0.4
112.07621	0.8
116.07076	0.5
117.03372	10.3
119.04939	2.6
119.08619	0.6
120.08098	0.8
121.02888	0.7
121.06493	1.0
123.04476	0.4
127.03924	4.1
128.07059	0.8
128.88660	0.4
129.04576	0.4
129.09137	0.6
129.10255	0.8
131.08571	0.4
133.07634	0.3
134.03630	1.3
135.04379	1.4
135.10095	0.4
136.06203	0.5
136.07576	0.5
137.05960	1.0
140.07121	0.5
142.08661	0.4
145.02837	43.3
145.04930	1.9
146.03172	0.6
146.06041	1.0
147.04405	2.7
149.05992	4.2
152.07108	0.4
159.02864	1.2
161.05925	0.5
162.03111	0.9
163.03876	1.3
169.09688	0.5
174.05516	1.3
175.03902	3.1
177.05464	93.6
178.05730	2.0
186.05450	1.1
186.09183	0.4
201.05437	0.5
205.12378	0.5
207.06537	6.2
219.06416	0.6
222.11240	100.0
223.11632	2.0
231.05013	0.8
238.60152	0.5
242.14848	0.4
290.14087	0.5
308.11185	0.7
315.13385	0.8
318.09799	0.5
452.17615	0.7
470.18765	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01860	0.6
55.05474	0.2
56.05024	0.6
57.03440	0.5
57.82626	0.2
57.84546	0.2
61.02924	0.5
63.02116	0.2
67.05502	0.5
68.05023	0.5
68.99822	0.2
69.03430	2.4
69.07034	0.3
70.06593	5.4
70.46532	0.7
71.04985	0.6
72.04517	0.4
72.08142	0.7
73.02908	0.6
74.06077	3.5
77.17660	0.2
81.03415	2.9
81.07050	0.4
82.06567	0.7
83.04977	0.4
84.04506	2.4
84.08148	1.5
85.02910	2.7
86.05996	0.3
86.09708	1.4
87.00839	1.0
87.04466	0.2
91.05457	0.7
93.07046	0.4
94.27325	0.2
95.04980	0.4
95.06075	0.6
96.04494	0.2
97.02888	1.6
98.06062	0.6
99.04467	1.1
102.05534	0.3
105.01867	0.6
105.03391	0.7
106.06583	0.5
107.04973	0.3
107.08574	0.3
109.02877	1.8
110.07171	0.5
112.07635	0.9
112.08754	0.3
114.05522	0.8
116.07105	2.2
117.01879	0.4
117.03370	0.2
119.04939	0.8
119.08585	0.3
120.06614	0.5
120.08125	0.5
121.02862	2.2
121.06496	0.3
122.06033	0.4
123.04464	0.3
123.06842	0.2
124.07590	0.4
127.03920	2.8
128.05008	0.3
128.07094	1.4
129.01797	0.2
129.10217	0.7
130.08658	0.2
130.76454	0.2
131.04932	0.9
134.03577	0.3
134.06047	0.3
136.06224	0.3
136.07608	0.4
140.07051	0.8
141.09149	0.2
144.06569	2.3
145.02853	0.6
145.04955	0.8
146.06015	3.6
147.03328	0.2
147.04355	0.9
148.07524	0.3
150.05595	0.3
152.07091	0.2
159.02887	0.8
161.04765	0.2
162.05495	0.8
162.07611	0.3
167.07101	0.2
174.05496	3.2
175.03888	0.7
176.07077	0.4
177.05484	1.7
179.05754	0.3
188.03717	1.1
190.04968	0.3
197.16351	0.2
204.06857	0.2
204.10260	0.3
207.05226	27.4
208.05617	0.5
222.07610	100.0
223.08000	1.3
229.15459	0.6
231.04944	0.3
270.09641	0.6
271.10855	0.2
288.10806	0.4
300.08630	1.6
308.14783	0.2
317.11108	0.9
318.09741	0.7
470.17010	0.3
470.29282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3312
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03927	6.0
55.05509	24.0
57.07064	9.6
57.95232	4.7
58.18525	4.1
59.05002	5.0
67.05508	38.5
69.03393	6.6
69.07079	24.2
69.74110	24.3
71.04985	12.0
79.05498	37.4
81.03416	8.1
81.07058	74.7
83.04965	20.2
83.08604	9.7
91.05468	42.2
93.07038	76.2
95.04971	37.9
95.08612	85.0
97.06510	16.0
99.04458	5.5
99.99757	4.4
103.05367	5.6
105.07032	83.7
107.07865	8.8
107.08588	93.3
109.06516	11.7
109.10159	76.3
111.08080	12.8
117.06975	18.8
119.07806	7.5
119.08587	91.9
121.06504	10.1
121.09332	7.1
121.10146	76.3
123.08074	11.2
123.11700	65.0
125.05981	5.5
128.06174	9.1
128.52689	4.9
129.06992	13.7
131.08559	46.4
133.06528	7.6
133.10130	66.5
135.08046	13.8
135.11708	30.6
137.09572	5.2
137.13269	11.6
141.07091	6.1
142.07774	11.6
143.08574	32.5
145.10118	71.2
147.07948	4.8
147.11700	52.9
149.09685	7.9
149.13219	19.0
151.11189	5.5
155.08565	15.7
156.09271	5.8
157.10133	45.1
159.08061	9.0
159.11676	56.0
161.09578	13.1
161.13222	21.2
163.11191	15.6
163.14790	6.1
169.10124	24.3
171.11684	41.1
173.09622	7.7
173.13251	36.5
175.11142	8.5
175.14830	26.3
179.08467	5.7
181.10081	6.7
182.10959	8.6
183.11693	21.6
185.13213	31.9
187.11180	8.1
187.14809	38.0
189.12715	12.4
189.16379	32.0
195.11629	14.4
197.13260	26.8
199.11082	6.8
199.14764	32.6
201.12801	7.6
201.16412	44.6
203.17857	5.7
205.15819	8.7
209.13249	12.1
211.14835	17.2
213.12825	6.4
213.16324	15.8
215.14343	9.9
215.17879	15.4
221.13249	8.8
223.14774	8.5
225.16446	12.6
226.53438	4.7
227.14339	6.4
227.17949	11.6
229.19650	6.8
231.13795	7.2
241.19551	9.1
245.15306	5.7
249.16403	6.2
251.17789	6.8
253.15825	7.3
253.19664	8.3
255.21220	6.5
259.16837	5.8
259.63043	4.4
263.18033	8.2
279.21066	8.7
293.22528	6.5
295.24078	13.1
297.18604	6.2
315.19345	5.0
319.24295	8.7
321.25745	6.3
337.25211	11.1
363.26645	13.8
375.26678	5.9
381.27838	15.4
393.27725	8.4
415.29962	10.9
433.30984	45.2
451.32019	74.1
469.33035	100.0
470.32968	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	469.3311
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03930	6.2
55.05507	20.3
57.03430	8.6
57.07079	5.4
59.04989	5.8
66.67941	5.2
67.05511	38.5
67.17902	5.2
69.03399	6.9
69.07059	23.0
71.04981	13.2
71.28189	13.3
79.05495	28.3
81.03410	6.3
81.07052	68.9
83.04973	16.3
83.08623	7.3
85.06542	6.2
91.05479	46.1
93.07042	62.9
95.04962	48.2
95.08610	78.4
97.06536	14.2
105.07021	73.4
107.08585	74.1
107.14487	5.3
109.06510	12.0
109.10144	58.0
111.08097	9.7
112.03329	5.5
117.07014	22.6
119.08596	76.8
121.06550	7.1
121.10143	71.6
123.08048	14.3
123.11713	71.1
125.05975	5.5
128.06268	8.6
129.07011	21.4
131.08540	37.4
133.10135	74.3
135.08066	9.4
135.11673	42.1
137.05936	5.9
137.13300	10.7
139.07533	8.1
141.34776	5.6
142.07860	5.8
143.08603	30.7
145.06490	7.4
145.10123	68.3
147.11678	45.9
149.09644	7.5
149.13266	21.8
155.08646	14.2
156.09370	6.3
157.10139	31.3
159.08018	7.3
159.11673	56.2
161.09599	17.9
161.13277	24.5
163.11169	13.7
167.08568	7.1
169.10144	18.0
171.11746	20.0
173.13245	41.3
175.11230	9.8
175.14827	27.5
176.04405	7.4
181.10104	12.9
183.11697	25.8
185.13242	35.2
187.14764	31.4
189.12685	9.2
189.16399	22.4
195.11688	5.8
197.13283	14.1
199.14885	31.6
201.12738	13.9
201.16336	32.0
203.14256	10.5
203.17914	9.6
205.15813	7.6
209.13271	16.3
211.14877	21.0
213.16325	7.9
215.17993	18.4
221.13141	6.4
223.14848	8.2
224.17694	5.9
225.16417	10.4
227.14296	9.6
227.17932	13.2
229.15927	9.1
239.17999	8.9
241.19504	8.0
245.15359	6.8
245.19202	6.0
251.17894	7.5
255.21133	8.1
259.17020	7.0
295.24173	17.9
311.23755	6.0
319.24222	14.4
337.25308	14.1
363.26715	10.5
375.26840	6.2
381.27841	19.0
392.44580	6.5
393.27661	14.1
400.27640	6.7
411.28955	6.8
415.29443	6.7
433.30859	41.1
451.32095	85.9
469.33075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.331
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
52.07497	4.4
55.05508	12.6
58.95582	5.2
63.48140	5.1
67.05503	31.7
69.03444	6.8
69.07066	21.8
69.85429	26.2
71.04994	10.0
77.92688	4.9
79.05508	26.9
80.69596	4.8
81.07056	53.6
83.04997	8.8
83.08637	8.4
85.06487	5.8
86.37733	5.8
91.05486	37.2
93.07041	60.6
95.04974	31.9
95.08601	62.0
97.06528	13.7
98.20814	5.8
105.04573	5.2
105.07028	59.3
107.08574	70.8
108.25040	6.5
109.06490	15.3
109.10159	66.7
109.18543	4.7
110.39653	4.8
115.91525	5.1
117.07019	21.9
117.62668	5.4
119.08585	71.9
121.06494	8.1
121.10132	68.8
122.05646	5.7
123.08037	7.9
123.11695	48.0
129.07014	12.8
131.08540	34.9
133.10112	64.8
135.08049	8.5
135.11708	26.3
137.13234	14.1
139.07558	6.8
142.07840	7.4
143.08560	21.9
144.09253	6.2
145.10120	57.0
147.11700	44.8
149.09630	5.3
149.13237	15.4
153.07121	5.4
155.08574	14.0
156.09381	8.0
157.10126	28.9
159.11681	55.8
161.09651	12.7
161.13210	27.7
163.11221	6.0
163.14810	8.2
169.10118	13.6
171.11690	29.9
173.09734	5.6
173.13216	33.5
175.14865	23.3
177.16461	9.0
183.11722	18.9
185.13231	28.7
187.14783	28.5
187.18503	5.4
189.12766	12.9
189.16374	16.5
193.10210	8.7
195.11719	11.8
197.13277	19.3
199.14839	32.4
201.01880	6.2
201.12767	10.8
201.16356	44.4
203.14299	9.4
205.16000	6.1
209.13329	7.8
211.14807	11.9
213.16428	10.4
215.14496	9.1
215.17949	15.1
217.15971	6.5
219.13753	7.9
221.13315	8.9
223.14868	10.0
225.16399	11.0
227.14415	7.0
227.17949	12.2
229.15935	10.5
231.02872	16.2
233.04468	24.0
237.16425	6.2
241.19632	8.2
248.98117	5.8
277.10583	6.3
279.21072	6.2
281.19086	5.4
295.24310	23.2
311.23676	5.8
313.25388	8.3
317.10236	6.4
319.24194	7.0
321.25824	6.7
337.25153	10.3
363.26736	16.8
381.27780	11.0
393.27863	9.3
405.31433	6.0
411.28970	5.9
415.29922	8.4
433.31110	39.7
451.32031	73.0
460.49115	4.9
469.33112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
52.73168	3.8
55.05512	14.5
55.75966	3.6
59.04991	8.8
67.05510	33.9
69.03426	7.9
69.07068	22.5
69.19219	38.6
71.04993	9.0
75.04488	4.1
79.05494	27.5
81.03454	4.6
81.07050	58.6
83.04989	17.9
83.08623	8.8
83.77013	3.5
87.04512	4.9
88.20898	3.8
91.05473	35.2
93.07043	57.7
95.04967	43.9
95.08617	67.7
97.06519	15.3
98.15913	3.5
103.75681	3.4
105.07030	66.1
107.05015	5.1
107.08593	74.9
109.06516	12.7
109.10168	51.8
117.07018	16.9
119.08588	66.3
121.06509	6.4
121.10142	63.5
123.08068	11.2
123.11720	57.6
129.07005	12.3
131.08565	37.4
133.06461	4.8
133.10133	59.4
135.08064	12.1
135.11678	30.8
137.13208	9.4
142.07828	6.0
143.08519	21.7
144.09322	4.9
145.10112	53.8
147.08084	5.3
147.11674	44.4
149.09642	4.8
149.13258	15.6
151.11166	5.2
155.08557	10.0
157.10118	31.4
159.08037	4.7
159.11691	46.3
161.09610	12.7
161.13286	17.6
163.11220	8.5
163.14804	5.8
167.08618	7.3
168.09447	4.2
169.10141	14.4
171.11717	21.7
173.09589	9.1
173.13277	22.5
175.11212	10.5
175.14853	27.0
177.16472	6.5
182.10938	7.2
183.11685	21.7
185.13304	30.3
187.11140	5.5
187.14815	31.0
189.16391	20.2
195.11726	9.6
196.12357	3.8
197.13251	11.2
199.14871	35.3
200.15353	4.3
201.12782	8.6
201.16373	41.3
203.14365	4.6
205.15857	9.9
207.11639	4.1
209.13319	11.7
211.14783	9.8
213.16350	9.9
215.14467	5.2
215.18002	16.5
217.04973	3.7
217.15891	4.7
219.13823	5.5
221.13313	6.3
221.15315	5.1
223.14801	7.0
225.16411	11.9
227.14287	8.3
227.17986	15.7
229.15875	8.5
229.19450	10.6
231.13771	6.8
233.15331	6.6
237.16383	7.9
239.14313	4.7
239.18022	7.3
241.15955	8.3
241.19470	9.1
243.17488	5.3
245.15376	8.9
253.19496	9.0
255.17491	4.4
259.16992	5.7
265.19446	5.5
267.17474	5.9
269.19180	4.6
269.22827	4.4
279.20941	5.5
295.24158	22.4
311.23541	5.8
313.25327	7.7
319.24121	10.9
328.31589	4.1
337.25250	13.8
351.26807	5.5
363.26859	18.2
375.26453	5.1
381.27859	20.7
393.27850	12.4
395.28922	5.6
405.31732	4.6
411.28772	6.8
415.29861	10.7
433.31058	37.7
451.32095	67.2
451.37863	7.4
469.33194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03938	3.7
55.05499	10.3
57.07061	3.2
66.76104	3.1
67.05510	24.6
69.03426	5.9
69.07068	18.9
69.90549	15.8
71.04977	10.5
79.05496	29.1
81.03391	6.1
81.07059	56.3
83.04992	17.1
83.08620	9.7
85.02891	3.5
85.06522	4.3
91.05479	31.3
93.07041	48.2
95.04971	23.0
95.08607	63.3
97.06535	9.1
99.04433	4.1
105.07037	56.6
107.08601	56.8
109.06500	12.3
109.10160	45.2
111.08066	5.5
111.11711	4.3
117.07009	20.7
118.63933	3.4
119.08572	59.8
120.74178	3.5
121.06490	10.4
121.10144	54.4
123.08045	8.4
123.11719	62.3
128.06206	5.2
129.06979	9.9
131.08585	36.8
133.06459	3.2
133.10135	53.5
135.08047	12.1
135.11684	29.3
137.09566	3.1
137.13248	8.9
139.07507	4.9
141.06999	6.1
142.07738	6.0
143.08559	17.7
145.10117	58.3
147.07965	7.6
147.11687	35.1
149.09630	6.3
149.13242	12.5
155.08557	12.1
156.09351	6.6
157.10109	27.8
159.08055	6.8
159.11699	37.7
161.09616	7.3
161.13237	19.5
163.11154	6.9
163.14816	6.2
165.78160	3.2
167.08463	3.4
168.09464	4.9
169.10153	15.1
171.11707	31.4
173.09639	11.0
173.13245	30.3
175.11174	5.3
175.14873	18.7
177.16508	4.2
181.10120	9.8
182.10947	4.1
183.11694	17.6
184.12344	4.1
185.13257	26.7
187.11264	5.6
187.14790	25.2
189.12714	4.2
189.16408	16.1
191.10579	4.6
195.11687	11.8
197.11566	3.8
197.13210	20.8
199.14845	23.1
201.12723	8.8
201.16396	33.9
203.14302	5.6
203.17973	5.7
205.15816	7.3
209.13208	9.4
211.14796	11.5
213.12712	5.6
213.16432	11.3
215.14439	8.2
215.17967	9.1
217.15901	6.3
221.13231	7.6
223.14767	8.8
225.16377	10.6
227.14333	7.6
227.17912	5.7
229.15877	4.9
229.19495	6.4
231.13831	6.9
233.15376	5.2
235.14713	3.2
237.16310	5.0
239.17844	7.5
241.15869	8.5
241.19518	5.9
243.13885	4.2
245.15497	6.6
247.14955	5.4
251.17990	3.3
253.19435	6.2
255.21098	4.3
259.17014	5.5
265.19333	3.2
268.40814	3.2
277.19772	4.1
279.21005	8.1
293.18875	3.3
293.22583	4.2
295.24142	14.0
311.20120	4.1
313.25174	4.0
315.19608	3.8
319.24161	8.2
333.26001	5.2
337.25214	14.1
341.21213	3.4
363.26794	15.4
381.27771	13.8
393.27768	8.7
411.29007	5.9
415.29834	8.7
423.32751	4.9
433.31055	28.4
451.32138	66.3
469.18073	5.4
469.33218	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.331
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
50.17370	1.3
50.63163	1.4
51.30075	1.3
53.03938	3.1
55.01874	2.1
55.05503	6.7
64.66473	1.4
66.53453	1.3
67.05508	10.7
69.03766	1.5
69.07073	6.7
69.38158	12.0
71.04987	3.3
79.05493	18.2
81.07055	73.8
83.04973	3.1
83.08628	3.5
85.06522	3.0
91.05488	13.8
93.07033	17.1
95.04966	4.4
95.08607	18.7
95.29705	1.4
97.06528	4.3
97.10136	1.5
99.08089	2.1
105.07029	20.7
107.08597	22.3
109.06519	36.2
109.09602	1.3
109.10168	13.1
111.08089	3.9
117.06993	4.8
119.08580	26.6
119.75697	1.3
121.06477	3.9
121.10123	14.4
123.08069	5.9
123.11718	11.3
125.09579	1.6
128.06207	2.1
129.06999	5.1
131.08569	12.3
133.10098	15.4
134.98189	4.8
135.08063	11.0
135.11708	7.7
137.09604	2.8
142.07735	2.3
143.08597	9.2
144.09366	1.7
145.10112	18.3
147.08070	2.0
147.11690	13.3
149.09608	6.5
149.13252	3.5
151.11156	3.1
153.06993	1.7
155.07300	1.6
155.08549	4.5
156.09320	1.6
157.10123	13.2
159.08035	1.6
159.11700	16.2
161.09593	3.8
161.13248	9.2
163.11201	7.1
169.10078	3.5
171.11707	10.6
173.13292	10.0
175.11159	2.9
175.14822	4.4
177.12692	3.8
179.10733	1.7
181.10025	2.2
183.11699	7.4
185.13301	8.5
187.11172	1.4
187.14780	6.2
189.12744	4.6
189.16374	4.0
191.14265	2.9
195.11664	4.0
197.13255	7.2
199.14787	5.2
201.12706	5.0
201.16338	5.8
203.14322	5.0
203.18027	1.6
205.15874	2.8
209.13185	3.5
211.14879	3.2
213.16319	5.4
215.14326	5.6
215.17857	3.3
217.15860	2.1
223.14745	3.3
225.16432	2.3
225.54251	1.4
227.14246	3.7
227.17917	2.6
229.15900	1.8
229.19484	3.4
231.17413	3.9
241.15857	3.0
243.17305	1.6
245.15337	1.8
245.18971	5.7
257.19186	1.8
259.16937	1.7
259.20596	2.1
267.17407	2.0
269.44699	1.5
271.20709	3.0
287.19949	2.2
289.21683	7.7
293.22592	1.7
309.21960	3.7
311.23587	3.4
335.23526	1.7
337.25238	4.1
351.26801	5.8
353.24667	1.9
361.24973	2.5
367.26132	2.3
369.27701	2.7
379.26300	28.2
381.27585	2.4
397.27374	100.0
398.27768	3.5
419.52554	1.6
433.30994	9.0
451.32053	17.7
469.17474	2.3
469.33139	22.8
470.33310	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	469.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.8
55.01867	5.0
55.05509	8.2
56.47399	2.3
57.03421	2.6
57.07078	48.2
59.04993	3.5
61.88900	2.1
65.03940	3.6
67.01826	2.2
67.05508	29.3
69.03423	6.5
69.07068	20.2
69.58971	4.5
69.59374	11.7
71.04989	2.5
72.08148	4.1
75.04478	4.6
75.78679	2.2
79.05496	28.5
81.03410	13.5
81.07055	31.6
83.04993	8.8
83.08607	6.0
85.06554	21.9
91.05479	37.3
93.07044	30.8
95.01333	100.0
95.04974	45.7
95.08614	29.5
97.02929	3.6
97.06525	4.8
103.05467	6.1
105.03425	3.9
105.07038	67.0
107.04961	7.7
107.08604	39.4
109.06508	11.1
109.10141	21.1
111.04469	2.8
115.05468	7.0
116.61310	2.2
117.07028	18.9
119.08583	93.9
121.02885	5.7
121.06526	11.5
121.10146	30.0
123.04457	2.7
123.08047	4.7
123.11695	13.0
125.06014	3.1
125.09696	3.0
128.06255	9.0
129.07007	19.8
130.07811	3.9
131.04935	5.9
131.08582	35.4
133.06490	8.9
133.07433	2.8
133.10130	51.8
135.08087	4.3
135.11678	17.1
137.05952	4.4
137.13283	4.8
141.06984	7.3
142.07825	11.3
143.08566	25.7
144.09355	8.6
145.02856	7.1
145.06454	13.3
145.10114	33.3
147.08055	6.7
147.11699	26.0
149.06009	4.7
149.09668	3.6
149.13235	12.1
151.11197	2.6
153.07016	5.5
154.07761	3.0
155.08568	21.8
156.09392	7.6
157.06551	4.3
157.10135	37.8
158.10997	2.6
159.04440	5.2
159.08044	11.0
159.11699	37.6
161.05986	14.7
161.09663	6.8
161.13257	52.8
163.11235	3.0
163.14888	2.9
165.07088	4.3
167.08583	10.0
168.09361	5.2
169.10156	23.1
170.10965	6.7
171.11691	18.0
173.05997	3.5
173.09557	5.8
173.13251	26.6
175.03944	3.1
175.07570	7.4
175.11223	6.1
175.14859	17.2
177.12770	2.3
179.08589	7.3
181.10100	11.9
182.10916	10.1
183.08052	4.0
183.11703	17.2
184.12553	5.4
185.09663	5.3
185.13235	16.5
187.03969	2.5
187.07584	5.1
187.11244	7.0
187.14812	11.1
189.09094	3.7
189.12749	3.7
189.16435	7.5
191.03406	8.2
192.09320	3.7
193.10153	8.9
194.10849	2.9
195.08041	5.0
195.11736	13.6
196.12572	3.2
197.09651	6.4
197.13226	19.9
199.11092	5.6
199.14844	25.9
201.05534	13.7
201.09099	4.4
201.12744	5.7
201.16420	14.8
205.04945	20.1
205.10152	3.1
207.06439	5.6
207.11755	8.8
209.13249	8.0
211.11224	6.6
211.14865	10.0
213.09235	2.9
213.12721	5.0
213.16286	3.2
215.10616	3.3
215.14322	7.8
215.17932	13.7
217.05011	5.1
217.15968	3.8
219.06638	12.7
219.11595	3.1
221.09654	3.9
221.13271	3.6
223.11176	4.3
223.14824	7.7
225.12752	11.9
225.16295	12.1
227.10667	3.8
227.14322	5.1
227.17970	8.5
229.12283	2.7
229.19588	2.6
231.06517	5.8
232.08974	2.6
233.07890	3.4
233.13312	4.4
235.11191	6.1
235.14896	7.4
236.11977	2.9
237.12715	3.2
239.14326	2.7
239.18118	2.9
241.15897	4.6
241.19530	3.2
243.06619	3.4
243.13797	30.6
243.17543	3.4
246.10579	3.4
249.12622	3.4
249.16553	3.3
251.14214	5.9
251.18004	2.9
253.12381	3.1
253.15854	4.3
255.13893	3.0
255.17558	2.9
261.12634	4.5
263.14236	3.5
271.16922	17.3
277.15924	3.7
279.13760	3.1
281.11887	3.2
291.17224	2.8
293.11713	5.3
293.19022	4.1
295.24310	7.4
297.11090	2.7
301.21613	4.5
303.17346	3.1
307.13333	55.5
311.12891	3.0
311.20117	5.7
313.25214	2.9
319.24216	3.8
321.18549	15.5
321.25656	4.3
323.20099	9.9
325.14258	6.8
327.19608	5.5
335.18939	5.0
335.27606	3.3
339.19553	9.1
349.18066	21.6
367.19037	53.9
379.26468	3.2
385.20227	7.5
433.31189	8.2
451.32251	19.6
469.25848	19.7
469.33054	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.5
55.01867	17.0
55.05501	28.7
57.03435	13.2
57.07073	8.6
61.02927	9.2
65.03948	5.2
67.05507	39.6
68.66786	3.6
68.99791	8.7
69.03434	58.7
69.07058	29.3
70.06595	7.9
71.04998	43.9
71.52074	4.5
73.02936	6.5
79.05508	39.3
81.03417	48.8
81.07056	100.0
83.04967	14.2
83.08624	11.3
85.02435	6.3
85.02906	79.4
85.06538	11.3
86.06049	5.3
86.09715	5.6
87.00830	26.2
90.53101	3.9
91.05474	54.4
93.07048	80.5
94.07391	3.9
95.04975	26.6
95.08055	6.3
95.08608	62.2
96.02730	3.8
96.05312	4.1
97.02905	27.3
97.06528	9.8
99.04465	14.4
99.08078	5.6
103.03966	10.0
103.05414	5.2
105.01862	11.3
105.03432	6.8
105.07029	78.0
107.04958	10.4
107.08597	78.1
109.02856	25.5
109.06510	20.1
109.10160	76.6
111.04450	10.5
115.03948	13.8
115.05418	4.3
117.07011	15.5
119.04969	21.5
119.07804	7.1
119.08588	87.9
121.06509	17.1
121.10152	53.5
123.04427	13.1
123.08073	10.8
123.11723	21.8
125.09634	12.8
127.03907	31.3
127.11188	38.0
128.06256	8.0
129.01888	11.5
129.07014	10.0
130.07759	5.4
131.04860	3.4
131.08551	33.4
133.06540	10.2
133.10135	72.5
134.34132	4.5
135.04431	7.7
135.08096	19.6
135.11691	44.3
136.06210	5.2
137.05991	10.1
137.09615	9.5
139.07565	5.2
141.07001	5.5
142.07742	8.7
143.08549	24.1
144.09271	5.1
145.04988	7.7
145.10124	47.7
147.02885	7.2
147.04408	12.5
147.08066	23.9
147.11697	42.2
149.09650	11.4
149.13257	18.5
151.11169	9.1
153.12723	23.3
155.08636	15.6
156.09383	6.5
157.08983	4.7
157.10091	25.5
159.02907	11.6
159.08081	11.7
159.11685	55.5
161.09651	15.8
161.13237	33.0
163.04051	4.3
163.07555	6.7
163.11137	10.9
163.14806	7.0
165.09055	7.3
165.12753	8.3
167.07138	5.0
169.10092	8.3
171.08116	4.0
171.11693	15.1
173.09586	7.5
173.13295	15.2
175.03958	18.0
175.11200	8.0
175.14885	23.0
176.04173	4.0
177.12796	9.6
177.16399	9.0
181.10249	3.9
183.11632	11.7
185.09648	4.3
185.13228	10.9
187.14877	11.1
189.04012	8.2
189.09001	5.9
189.12756	9.1
189.16405	17.2
191.14369	4.6
193.15927	15.1
195.11584	6.9
195.17519	6.8
197.13272	7.7
199.11182	6.0
199.14825	4.8
201.12743	9.5
201.16409	22.3
203.14267	26.2
203.18076	24.1
205.15756	4.4
207.06575	29.7
207.11771	4.7
208.06854	8.5
209.13313	5.4
213.12805	7.7
213.16432	6.9
215.14256	5.2
215.17989	5.7
217.15808	5.6
219.17522	11.9
221.15283	19.6
221.19012	6.0
223.14905	5.0
225.12762	16.4
227.17931	10.3
231.05006	8.4
231.17418	9.6
233.19012	8.6
241.15852	5.8
243.13850	12.1
243.17538	6.8
245.19023	19.5
249.18384	4.1
257.19095	7.6
263.12485	10.7
263.20270	9.2
269.19043	9.4
271.13501	5.5
293.18948	7.9
311.19995	23.2
329.21042	13.7
415.21011	5.6
433.22214	14.9
451.23291	17.9
457.63730	4.0
469.18332	14.7
469.24243	17.4
469.30011	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	469.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.1
55.01870	13.5
55.05510	36.4
57.03435	9.3
57.07067	17.3
59.04997	7.9
61.02919	8.4
67.05190	5.0
67.05507	56.8
68.21949	4.3
69.03432	50.6
69.07061	36.7
69.72126	20.5
69.72543	12.7
71.04986	30.2
79.05501	42.5
81.03416	34.2
81.07061	82.7
83.04974	17.8
83.08612	19.5
85.02899	54.5
85.06544	9.1
86.09718	5.1
87.00830	26.8
87.04433	5.0
91.05479	44.9
93.07047	75.5
93.98300	4.5
95.04951	28.1
95.08614	80.9
97.02909	27.1
97.06490	7.5
97.10155	11.8
99.04431	11.5
105.01843	10.4
105.03378	5.9
105.07030	72.5
107.04929	12.0
107.08595	100.0
109.02878	16.3
109.06528	21.4
109.10153	59.1
111.04433	10.4
111.08084	8.7
115.03925	10.9
117.07005	11.6
119.08593	90.2
121.02840	7.1
121.06511	19.0
121.10143	99.3
123.04436	16.7
123.08060	22.6
123.11695	49.2
125.09645	15.8
127.03932	15.2
127.11172	6.9
128.06223	10.4
129.01802	13.5
129.07040	12.3
131.08562	36.0
133.06535	5.5
133.10153	62.1
134.20699	4.6
135.08067	13.1
135.11693	56.1
137.05980	7.9
137.09586	14.4
137.13243	9.8
139.07607	6.8
139.11043	4.8
141.07025	7.8
142.07744	8.0
143.08559	22.1
144.09323	10.3
145.06535	4.5
145.10133	54.5
147.08052	16.2
147.11703	44.9
149.05968	5.6
149.09622	16.7
149.13257	31.3
151.11215	5.9
155.08636	11.6
156.09373	7.1
157.10117	37.4
158.10846	8.1
159.02882	5.5
159.07973	11.9
159.11716	62.4
161.09618	10.5
161.13252	28.8
163.07594	6.0
163.11188	13.0
163.14743	6.5
165.06947	6.0
165.09142	9.6
167.07033	9.2
167.08586	10.2
169.10123	23.4
171.11664	23.2
173.09656	13.6
173.13202	24.0
175.11162	9.4
175.14801	17.1
177.12744	12.8
177.16347	8.7
179.08562	9.6
181.10231	10.5
182.10973	6.8
183.11716	23.5
185.04428	5.0
185.13216	14.5
187.11200	11.6
187.14787	18.4
189.08995	9.0
189.12726	9.0
189.16391	21.6
191.14265	9.7
192.09377	5.9
193.08595	5.6
193.10155	10.0
195.11720	13.0
197.13271	22.5
199.11201	8.6
199.14821	13.8
201.03946	11.6
201.12682	12.3
201.16382	21.1
203.14322	10.5
203.17957	27.6
205.10175	9.1
205.15749	5.9
205.19533	9.0
206.10904	6.6
207.11711	13.8
209.13268	6.8
213.16403	9.4
215.14383	9.5
217.10298	7.1
219.11827	7.8
219.13812	5.7
219.17474	12.1
221.13351	6.7
221.19028	9.0
223.14793	11.0
225.12766	10.8
227.14377	7.3
227.17924	9.5
229.12328	6.1
231.11563	7.8
231.17540	9.4
235.11102	7.8
239.14178	8.1
243.11748	7.1
245.06274	6.7
245.19041	11.3
246.14088	5.2
247.11061	6.8
254.08232	9.5
265.15942	6.3
269.19168	8.1
277.11996	6.5
287.20142	5.4
289.12167	5.2
293.15298	5.4
293.19125	5.8
303.10394	5.5
311.20087	11.7
329.21066	13.5
347.22659	7.3
359.16061	6.2
379.26285	8.4
387.16107	6.8
395.18500	7.3
405.16855	7.2
409.16428	7.0
423.17853	12.3
433.22241	13.1
433.30792	8.0
451.17593	8.1
451.23059	27.6
451.31955	19.7
469.13800	9.2
469.18430	41.7
469.24655	17.4
469.33408	61.2
470.13553	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	469.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.4
53.03949	2.7
55.05516	3.1
65.03936	0.6
67.05490	0.4
69.76543	1.0
69.76957	1.3
70.06576	1.0
77.03920	1.0
79.05483	0.9
81.07071	1.0
84.08136	2.8
86.17468	0.4
91.05484	18.0
92.05783	0.7
93.07066	0.7
95.04975	4.9
95.08632	0.7
96.05319	0.4
104.05004	4.1
105.03392	100.0
106.03719	4.1
107.08593	0.5
109.10188	0.6
112.11234	1.7
118.06530	1.6
119.08568	0.5
120.49017	0.4
121.02855	0.6
121.10146	0.7
122.06096	0.9
130.06529	1.8
133.10164	0.5
134.06021	4.3
144.08096	1.6
156.08109	0.6
157.10144	0.6
158.09688	1.5
159.11725	0.5
161.09663	0.4
161.10750	2.5
162.09146	34.4
163.09488	2.3
176.10710	5.9
177.11049	0.6
180.05112	0.8
194.06660	1.0
198.06140	3.4
198.09479	0.9
205.07188	0.6
212.07701	2.7
220.08162	0.8
223.08109	0.5
233.16486	2.5
234.09776	3.1
235.09563	0.5
238.09291	1.1
240.10950	0.7
242.89995	0.4
245.11363	1.1
249.10847	1.0
249.61586	2.6
250.09253	0.4
250.11815	0.7
252.10843	3.6
253.10884	0.6
261.12637	0.5
263.12381	4.2
264.12701	0.7
271.12979	0.8
275.12485	0.7
277.14063	0.9
289.13922	1.4
301.10480	1.0
311.39642	0.4
313.10175	0.5
313.38632	0.4
319.13120	1.1
323.12457	5.0
324.12616	1.3
336.20740	2.8
337.14008	6.9
337.19141	2.0
338.14020	0.6
341.13489	13.5
342.13785	2.2
346.13760	0.5
355.15024	15.1
356.15250	4.1
364.15329	0.8
374.17120	0.9
376.59048	0.5
377.17288	0.8
378.16733	1.6
379.16260	0.5
388.68610	6.5
389.18887	2.3
392.18195	1.8
393.18158	0.4
429.54474	0.4
451.31979	0.6
458.24197	0.5
469.22879	96.5
469.73004	53.1
470.22961	9.0
480.21326	9.3
481.21634	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	469.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.4
55.01860	16.8
55.05500	30.3
57.03410	8.1
59.03010	7.1
59.04969	7.3
61.02928	11.5
65.03931	12.9
67.05509	56.4
69.03429	58.5
69.07061	40.1
69.71050	40.1
70.06590	15.6
71.04983	14.6
72.07448	6.1
72.08141	16.7
79.05486	52.0
81.03406	40.9
81.07047	85.4
83.01340	14.5
83.04981	17.1
83.08622	22.4
84.08167	8.7
85.02907	53.9
85.06538	26.6
86.09705	10.6
87.00802	9.4
91.05474	66.5
93.07054	66.6
95.04966	32.8
95.08603	100.0
97.02902	37.9
97.06534	13.7
99.04459	18.0
99.08054	7.2
99.75301	7.9
101.02346	14.6
103.98870	7.4
105.01861	10.8
105.07033	85.3
107.04958	10.3
107.08595	86.3
109.02878	47.3
109.06512	24.2
109.10148	88.3
111.00798	17.5
111.04433	19.0
111.08071	15.3
112.07626	12.1
115.05463	11.3
117.07027	16.2
119.08595	96.3
121.02855	8.2
121.06489	22.0
121.10141	82.8
123.04428	10.3
123.08015	15.0
123.11690	33.3
125.02335	9.0
127.03927	51.0
128.06242	13.8
129.01820	16.9
129.06973	23.8
131.08563	48.3
133.06479	10.9
133.10176	44.6
135.04369	8.1
135.08034	18.8
135.11679	26.2
137.06071	11.2
137.09654	9.8
137.13232	8.4
139.03893	11.9
141.06967	23.6
142.07756	21.0
143.08589	43.6
145.04987	11.7
145.10149	46.9
147.08087	14.1
147.11691	55.9
149.02380	9.8
149.09637	20.7
149.13271	20.8
151.11182	13.2
153.06979	12.5
155.08580	43.6
156.09349	21.9
157.06567	7.9
157.10112	54.1
159.02928	8.4
159.08069	18.7
159.11726	44.2
161.09624	17.0
161.13274	28.0
165.06998	30.9
166.07761	10.6
167.08563	33.7
168.09390	16.1
169.10091	54.2
170.10849	14.8
171.08012	43.2
171.11711	23.4
173.09605	18.5
173.13287	23.8
175.07530	6.7
175.11209	10.7
175.14844	17.0
177.16415	11.0
178.07780	10.5
179.08551	37.3
180.09306	26.3
181.06587	7.0
181.10085	40.1
182.10893	12.1
183.08041	24.0
183.11717	39.1
184.12460	10.8
185.06032	7.7
185.09665	16.9
185.13255	22.5
187.14859	10.4
189.16380	8.6
189.24416	7.0
190.07677	8.6
191.08562	18.7
191.10399	8.2
192.09363	29.9
193.10109	55.0
194.10881	22.1
195.08069	27.8
195.11734	47.4
196.08881	11.9
196.12430	8.0
197.09615	25.6
197.13318	45.7
198.10274	8.4
199.11137	11.3
199.14804	31.1
201.09204	7.7
201.12773	12.1
201.16426	12.6
202.07802	20.3
203.08549	22.4
203.14407	10.9
203.17889	62.0
204.09294	17.2
205.10085	26.3
206.10960	25.8
207.08105	13.3
207.11775	38.6
208.08827	24.6
209.09724	39.7
209.13277	24.5
210.10365	14.3
210.14250	10.2
211.07489	14.5
211.11154	20.4
211.14758	10.2
213.12752	13.3
213.16348	15.7
215.08510	25.0
216.09320	17.2
217.10115	29.6
218.10887	22.1
219.08078	16.5
219.11708	25.9
220.08870	14.7
220.12489	8.7
221.09763	41.0
221.13197	19.6
221.18997	28.9
222.10428	30.6
223.07625	10.8
223.11139	38.8
223.14813	15.9
224.08353	9.1
224.11792	10.8
225.09113	17.4
225.12669	56.0
227.14334	30.5
228.09482	14.2
229.10165	22.6
230.10886	21.4
231.08105	14.9
231.11723	28.4
232.08832	18.7
233.09605	32.9
233.13222	17.5
234.10455	7.6
235.11189	35.4
235.14902	17.3
236.12070	8.6
237.08997	17.8
237.12773	10.1
237.16254	8.9
239.10648	9.5
239.17812	8.6
241.10217	11.6
243.11629	19.5
243.13837	11.9
243.17389	8.7
245.09674	23.4
245.13231	21.5
246.10437	35.0
247.11203	49.3
247.14828	12.4
248.11940	11.2
249.09111	20.9
249.12799	18.7
249.18652	8.1
250.09885	11.0
251.10756	25.2
251.14272	12.2
253.08519	13.0
253.12256	14.6
255.11780	8.5
256.08902	21.2
256.12491	8.2
257.09641	14.4
257.13144	8.8
258.10391	32.8
259.11197	20.3
260.08441	8.7
260.11887	14.8
261.09033	18.1
261.12793	46.0
263.10669	10.6
263.14352	14.5
265.15833	11.7
267.10095	9.1
267.17569	9.8
269.09351	11.2
271.11215	26.1
273.09286	11.3
273.12674	32.8
274.09897	27.4
275.10632	24.2
277.08572	9.8
277.12241	16.0
284.08316	8.0
285.09000	14.8
286.09909	10.4
287.10623	16.7
288.11374	11.9
289.08759	12.2
289.12183	61.1
291.10513	10.5
291.13885	20.3
293.11661	21.5
293.14908	9.0
295.09760	15.3
295.16830	12.3
299.10623	26.7
301.08871	14.7
301.12198	24.8
303.10168	16.5
303.13681	9.9
305.11612	11.1
307.13275	31.3
309.14893	13.5
311.16162	16.4
317.11743	88.7
319.09927	8.6
319.13257	31.8
321.11484	11.7
327.10114	19.2
329.11780	11.1
331.16833	16.3
335.12769	33.9
345.11218	52.2
347.12866	12.8
349.18036	12.9
355.09784	15.5
359.16287	19.8
363.12131	27.0
367.12213	8.6
372.04016	16.7
373.10684	46.5
374.11972	7.9
377.17606	18.3
381.13229	11.2
383.15213	7.8
387.15845	14.5
391.11783	71.8
395.18454	9.8
405.16910	22.9
409.12662	58.8
413.12436	9.1
423.17908	20.7
427.13867	15.1
433.16586	14.6
433.31100	9.2
451.17349	27.0
451.32227	38.9
469.18631	29.9
469.33264	69.0
480.31815	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	469.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01870	3.8
55.05511	1.0
57.03429	1.6
67.05499	1.4
69.03429	10.8
69.52013	5.4
70.06578	3.2
71.04987	6.6
72.04509	1.1
72.08154	1.9
79.05479	1.0
81.03416	10.4
81.07063	1.8
83.04964	1.6
84.04513	0.9
84.08120	2.0
85.02895	3.1
85.06548	1.9
86.09695	1.6
91.05472	2.4
93.07040	1.2
93.14913	0.8
97.02914	1.1
98.21497	1.0
99.04447	7.2
105.03362	1.2
105.07023	2.0
107.04967	0.9
107.08607	1.8
109.02888	4.8
117.05505	1.6
118.06538	4.0
119.04923	0.8
119.08595	1.0
120.08108	0.7
121.02880	1.4
121.10165	1.2
127.03908	2.6
136.06157	2.0
145.02809	1.5
145.07600	4.4
147.04376	0.9
147.09148	5.6
152.99132	0.8
159.11635	0.9
163.03886	1.3
167.06990	1.3
173.07115	10.5
175.08644	3.5
177.05464	3.4
187.03864	4.7
191.08154	100.0
192.08479	2.8
193.08548	0.8
200.86205	0.8
204.71776	0.8
207.06537	0.8
222.11264	3.2
229.04932	2.0
271.09567	5.3
271.22543	1.2
289.11810	4.2
307.12888	69.5
308.13391	1.7
313.10706	3.9
325.13922	16.5
326.14154	0.9
355.11768	1.6
373.12643	1.9
397.13684	1.6
409.16101	1.3
415.14236	2.9
433.16129	3.9
469.25607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01870	9.7
55.05501	3.9
57.03430	5.3
59.04997	2.6
67.05497	3.8
69.03442	13.9
69.07059	3.5
70.06590	20.5
71.04984	4.0
71.52680	2.4
72.08145	7.4
73.02921	3.8
74.06092	4.3
79.05479	5.4
81.03413	18.4
81.07036	2.2
83.04972	3.9
84.04515	3.3
84.08154	9.9
84.08572	2.0
85.02917	16.3
86.09702	7.7
88.13769	2.0
91.05466	3.7
93.07040	4.5
95.04971	3.3
95.08604	8.9
97.02869	11.0
97.06561	2.4
98.06066	5.8
99.04449	6.9
105.03391	3.3
105.07021	3.0
107.04951	3.3
107.08575	7.6
108.04475	9.5
109.02872	25.9
109.06512	2.0
110.05997	3.6
110.07157	5.3
112.82554	2.1
113.05978	2.6
116.07082	2.9
119.04976	2.8
119.08572	2.8
120.08048	2.3
121.02895	3.4
122.06034	4.3
123.04439	3.8
123.08096	4.2
124.07610	4.0
127.03919	25.4
128.07050	3.3
129.10274	3.2
130.79881	1.9
131.08557	3.3
132.04494	2.6
132.08069	2.6
134.05969	2.5
135.08058	13.7
136.07579	7.4
138.05460	2.6
138.09152	2.0
140.07039	7.0
141.09113	6.8
142.54834	2.2
145.04944	5.8
145.07541	1.9
147.04437	2.3
149.05936	2.0
149.07161	1.8
150.05518	2.8
159.07874	2.2
160.07582	5.3
163.08636	5.9
168.06541	6.4
170.09642	1.9
174.09116	9.3
175.08640	2.6
175.11325	2.2
176.07106	2.8
177.05348	3.2
177.10214	7.6
178.05061	14.0
178.08635	100.0
178.81796	2.0
179.05318	13.5
179.14508	1.8
182.08073	2.9
188.07014	10.4
191.08128	2.7
193.09602	2.0
198.09236	3.2
199.05965	2.0
201.10191	6.6
202.08676	16.6
203.09029	3.0
205.09741	22.8
206.04471	23.8
206.08113	21.4
207.04839	19.9
207.06551	3.3
209.01173	2.0
212.07089	2.9
216.10207	5.0
217.09784	2.3
219.07715	2.5
219.11301	16.8
220.09663	4.5
222.11331	2.3
226.08540	3.2
229.09705	10.1
230.08134	8.1
243.11400	3.0
244.09683	6.2
247.08243	4.4
247.10783	71.8
248.11130	2.6
261.12378	3.9
265.11835	36.3
266.12094	1.9
271.10638	6.8
271.13339	3.2
272.09085	5.0
275.94525	1.9
279.13284	2.1
289.11801	43.2
289.14734	4.0
294.09760	2.7
305.01517	1.9
307.12894	80.2
308.10959	2.2
331.12964	2.7
331.16693	2.2
337.13858	3.0
349.13916	39.8
357.75247	2.2
367.14841	2.5
373.13895	13.5
379.14813	4.3
391.14963	29.7
397.13763	3.8
409.16116	16.2
415.14920	20.3
433.16031	99.4
434.16238	6.0
442.50317	2.3
451.17114	90.7
452.17313	6.7
467.52444	2.0
469.12335	4.3
469.18167	41.9
470.18362	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	469.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
55.01863	1.7
55.05506	1.9
57.03427	2.1
63.68671	0.8
69.03426	10.6
69.95280	4.6
70.06604	1.8
71.04985	4.6
72.08139	1.1
75.49119	0.8
79.48013	0.8
81.03419	24.7
81.07070	2.0
83.04558	0.8
83.04971	5.7
84.08161	1.4
85.02903	3.2
91.05490	2.3
95.08652	1.1
97.02896	1.4
97.06503	1.0
98.09669	1.0
98.20792	1.4
99.04455	11.9
100.11279	1.4
103.03938	2.2
105.07038	1.6
106.47996	0.8
107.08592	1.2
108.34739	0.8
109.02888	10.4
111.04435	1.0
117.05501	2.6
118.06539	2.5
121.10191	1.4
127.03928	3.8
145.07610	3.1
147.09169	9.6
152.20253	0.8
157.40546	0.9
163.08696	1.8
173.07097	10.4
175.08727	11.0
179.40390	0.9
182.15477	1.1
188.07448	1.0
189.05469	1.2
191.08165	100.0
198.14851	1.1
203.08203	1.7
207.06549	2.4
210.14830	2.5
215.11641	0.9
226.14304	1.4
233.09448	1.3
243.11382	1.3
271.10828	2.1
273.53177	0.9
289.11847	8.2
304.28006	0.9
307.12885	37.9
308.13300	1.1
325.13947	31.7
326.14600	1.0
331.12891	9.9
337.20828	0.8
349.13940	6.7
354.23886	1.2
371.16074	2.1
389.17062	4.4
397.13937	4.0
407.18140	1.1
415.15054	12.9
433.16144	11.5
451.17038	11.4
452.30710	1.2
469.33936	2.3
476.88272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72854	3.2
52.90551	2.8
55.05488	4.0
67.05491	9.2
67.84856	2.9
69.07073	49.2
70.34455	10.6
79.05489	5.7
81.07060	7.3
85.06541	3.1
88.17675	2.8
89.06005	10.6
91.05442	8.1
93.07050	29.0
98.67214	3.5
105.03402	8.1
105.07034	7.7
107.08570	8.5
109.10123	4.5
119.08592	6.0
129.06931	4.2
131.04822	4.7
133.06424	4.6
133.08575	7.6
135.04391	11.9
135.11700	7.3
147.04404	11.9
149.06041	14.7
159.04347	5.5
161.05949	5.7
161.13185	5.2
162.09120	10.4
173.05978	6.1
175.03912	91.1
176.04214	3.3
187.03923	17.4
189.09131	10.0
201.05457	6.6
203.10596	6.4
207.10172	13.1
221.11667	6.8
223.07477	17.1
225.55600	4.0
229.08633	27.2
243.10165	4.2
245.11697	7.4
247.09665	100.0
248.10005	6.5
283.17233	13.3
295.10135	5.8
295.13290	72.1
296.13342	4.4
311.16629	4.5
311.20087	8.1
333.28934	3.1
349.97763	3.1
355.22720	9.2
365.21094	34.9
383.22092	31.0
451.94470	3.2
468.36920	7.9
479.63187	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	468.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15944	1.3
67.05480	2.8
69.07069	12.0
71.52620	1.7
81.07037	2.7
89.06047	3.7
91.05451	2.4
92.51684	1.6
93.07028	6.5
110.96922	1.3
133.08615	3.9
147.04417	3.1
159.04367	1.5
175.03917	41.5
177.05457	1.9
187.03917	3.2
189.09239	1.9
201.05464	3.1
210.83989	1.5
229.08580	11.5
243.10242	2.1
247.09674	100.0
248.09961	3.4
266.07608	1.4
283.17514	6.0
295.13455	1.4
304.41345	1.5
311.16403	3.2
311.19894	2.2
365.21045	7.4
383.22229	9.2
397.81656	1.6
401.23361	2.5
467.17914	1.4
468.37256	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55854	0.4
55.05502	0.9
56.23180	0.4
57.03424	0.7
57.07080	2.1
62.81633	0.4
65.03940	3.5
67.05495	2.4
67.66015	0.4
69.07061	1.4
69.46036	3.6
70.06603	0.7
71.08627	1.7
79.05485	1.0
81.07063	2.1
83.08630	0.4
85.10207	0.5
86.02428	10.6
89.06023	2.1
91.05475	1.1
93.07052	2.2
95.04973	0.8
95.08621	2.3
98.21513	0.6
98.98447	1.0
104.03461	11.0
105.07014	1.7
107.04955	16.3
107.08590	1.8
109.10148	2.3
110.10458	0.4
110.25534	0.4
111.04453	2.6
117.75839	0.4
119.08564	1.8
121.02867	100.0
121.10160	1.1
122.03175	1.0
123.11725	0.7
130.97040	0.4
131.08563	0.5
133.06528	0.5
133.08592	1.1
133.10112	1.1
135.11731	0.8
136.07561	1.0
143.08505	0.5
145.10146	0.6
146.05965	0.8
147.11690	1.1
149.13319	0.5
155.01013	1.1
158.44592	0.5
161.09605	0.4
161.13312	1.1
162.05511	3.0
164.07059	6.6
173.13286	0.7
175.03859	0.5
180.06555	27.4
183.08298	0.4
185.09592	0.5
205.08612	2.7
241.08549	0.7
242.08942	0.5
242.40633	0.5
248.12827	0.7
261.03830	0.7
262.21631	0.8
264.12317	9.5
273.14975	0.6
274.15268	0.6
283.17358	0.5
295.13245	0.5
296.13730	0.6
296.29636	1.6
314.14859	0.8
314.27737	1.8
331.15451	0.5
332.15805	1.2
383.25958	0.7
419.99185	0.4
450.27185	1.2
451.31644	0.6
468.31198	39.4
469.31763	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	468.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55854	0.4
55.05502	0.9
56.23180	0.4
57.03424	0.7
57.07080	2.1
62.81633	0.4
65.03940	3.5
67.05495	2.4
67.66015	0.4
69.07061	1.4
69.46036	3.6
70.06603	0.7
71.08627	1.7
79.05485	1.0
81.07063	2.1
83.08630	0.4
85.10207	0.5
86.02428	10.6
89.06023	2.1
91.05475	1.1
93.07052	2.2
95.04973	0.8
95.08621	2.3
98.21513	0.6
98.98447	1.0
104.03461	11.0
105.07014	1.7
107.04955	16.3
107.08590	1.8
109.10148	2.3
110.10458	0.4
110.25534	0.4
111.04453	2.6
117.75839	0.4
119.08564	1.8
121.02867	100.0
121.10160	1.1
122.03175	1.0
123.11725	0.7
130.97040	0.4
131.08563	0.5
133.06528	0.5
133.08592	1.1
133.10112	1.1
135.11731	0.8
136.07561	1.0
143.08505	0.5
145.10146	0.6
146.05965	0.8
147.11690	1.1
149.13319	0.5
155.01013	1.1
158.44592	0.5
161.09605	0.4
161.13312	1.1
162.05511	3.0
164.07059	6.6
173.13286	0.7
175.03859	0.5
180.06555	27.4
183.08298	0.4
185.09592	0.5
205.08612	2.7
241.08549	0.7
242.08942	0.5
242.40633	0.5
248.12827	0.7
261.03830	0.7
262.21631	0.8
264.12317	9.5
273.14975	0.6
274.15268	0.6
283.17358	0.5
295.13245	0.5
296.13730	0.6
296.29636	1.6
314.14859	0.8
314.27737	1.8
331.15451	0.5
332.15805	1.2
383.25958	0.7
419.99185	0.4
450.27185	1.2
451.31644	0.6
468.31198	39.4
469.31763	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	468.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01633	1.4
55.01874	15.0
57.03415	2.2
57.07063	5.9
57.21164	1.1
59.04995	2.7
67.05493	5.2
69.03432	11.2
69.07070	7.6
69.88312	6.2
70.02941	6.8
70.06569	2.0
71.04975	2.5
72.04158	1.9
72.04515	24.3
73.02920	15.3
74.02423	1.7
81.02988	1.8
81.03420	20.1
81.07063	1.2
83.04969	5.8
85.02908	9.0
85.06554	8.9
86.09695	4.2
86.76849	1.4
87.08081	4.1
90.05556	46.5
95.04961	10.9
96.08131	2.2
97.02896	12.2
98.02419	21.6
99.04451	6.6
100.03978	9.1
102.03734	2.1
103.07568	3.7
109.02883	31.4
112.07607	2.3
113.05978	6.0
115.03951	1.6
116.03458	19.7
124.07584	26.7
127.03910	17.2
131.07103	1.9
132.06578	11.4
132.10120	1.6
138.05481	3.4
142.08629	22.3
145.04947	7.8
148.09683	1.6
149.07367	2.2
156.10199	2.5
157.05028	1.5
160.09689	6.0
160.40991	1.5
166.08601	5.3
172.09662	5.6
174.11264	5.7
181.05017	3.7
184.09692	40.1
185.11871	1.4
187.06015	1.4
198.07553	4.6
199.06067	6.6
202.10741	100.0
203.11415	2.6
211.09682	9.9
216.08658	5.0
217.07045	4.3
220.11807	21.8
230.10217	14.0
234.09689	11.4
244.11758	3.4
262.12872	23.1
303.10556	1.4
310.12875	11.7
328.13910	67.8
329.14154	2.2
338.11896	7.0
346.14886	16.5
364.16046	27.1
450.18420	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	468.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.05511	0.8
57.03426	2.0
59.05032	0.6
60.04529	0.6
61.02923	1.1
67.05503	1.3
68.99777	0.6
69.03428	13.0
69.07063	1.3
70.02941	0.7
70.06580	5.6
71.04979	2.2
71.18606	1.1
72.04505	2.2
72.08140	1.9
73.02916	3.1
74.06087	0.8
79.05444	0.9
81.03417	11.0
81.07037	1.6
83.04974	1.2
83.06079	0.5
84.04517	1.0
84.08153	3.1
85.02902	10.3
85.06530	1.1
86.09706	2.2
87.00827	4.9
87.04451	0.6
90.05576	3.5
91.05463	1.5
93.07033	1.5
95.04951	1.2
97.02885	7.4
97.06564	0.7
98.02432	1.2
99.04450	3.2
100.03980	0.7
101.67578	0.5
103.03903	0.6
103.32790	0.5
105.01860	1.5
105.03382	8.4
105.07024	0.6
107.08573	1.2
109.02875	8.3
109.06490	1.0
110.07116	1.1
110.25916	0.5
112.02196	0.5
116.03448	1.0
116.07108	0.9
117.69878	0.5
118.06505	0.6
121.10088	0.7
124.07597	2.2
125.09686	0.7
127.03912	8.9
127.07507	1.4
129.01825	0.8
129.06941	0.6
129.10219	1.2
130.06567	0.8
134.06015	1.2
142.08630	1.3
145.02895	1.1
145.04964	2.3
146.05991	0.7
146.09610	1.3
147.04391	0.8
154.04997	0.9
156.08101	1.1
158.05959	0.7
159.02914	1.7
159.06784	13.8
160.03909	0.5
160.07579	16.0
162.05719	0.6
162.09135	8.8
170.02737	0.6
171.10083	0.6
172.07562	4.2
173.08344	9.0
174.09131	2.3
174.11314	0.6
176.06996	1.5
177.05536	1.2
184.07532	3.9
184.09688	2.1
187.06146	0.7
188.03758	10.0
188.07025	1.0
202.08644	50.9
202.10654	4.9
203.09087	0.9
220.09691	100.0
220.11583	4.2
221.10025	1.8
230.10251	1.0
231.04999	0.6
234.09721	0.6
262.12820	0.9
288.12524	1.4
304.57709	0.6
305.99762	0.7
306.06152	0.8
306.13602	2.2
314.06851	3.0
328.13922	3.3
346.15216	0.9
364.16037	2.0
382.14951	7.8
387.18018	0.6
424.15979	8.5
450.13980	2.1
450.22269	2.3
468.14975	32.2
468.23175	6.5
469.13556	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.1
67.05475	2.2
69.03418	1.2
69.07063	0.7
70.06541	0.9
70.32932	2.8
71.67234	0.8
72.33334	0.6
79.05469	1.3
81.03382	1.2
81.07016	2.6
83.04959	0.8
85.02888	1.9
91.05441	2.0
93.07059	1.7
95.04963	1.0
95.08572	2.0
97.02849	0.8
105.07013	2.2
106.07349	1.0
107.04909	0.9
107.08572	2.7
109.02826	0.9
109.10158	1.4
119.08554	1.2
120.08099	0.8
120.08888	1.1
121.02827	1.0
121.10151	1.1
131.08548	1.5
133.10135	1.0
145.10095	2.0
146.10390	1.0
161.13200	1.0
162.09074	1.2
165.09044	0.7
177.05405	0.9
201.04222	5.8
216.06573	2.2
229.03670	4.5
229.07225	1.1
230.04384	1.1
231.05289	1.2
244.06064	98.0
245.06483	2.6
258.07785	1.0
270.07532	1.4
272.05542	100.0
273.06201	11.1
274.07138	6.4
376.17300	1.0
438.12167	0.8
450.11673	4.3
468.12952	90.6
468.31711	2.8
469.13443	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	467.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.1
56.25209	1.2
57.03437	1.3
57.06795	2.0
57.07076	37.0
59.05000	2.9
62.50357	1.3
65.03939	3.4
67.05506	100.0
68.05845	1.4
69.07070	9.6
69.36743	4.9
69.37170	6.3
71.04986	2.1
71.08635	24.1
79.05476	2.6
81.07056	28.6
83.08627	13.9
85.06540	2.7
85.10191	11.9
91.05470	5.5
93.07042	3.7
95.08611	26.0
97.10178	6.6
99.11755	1.7
107.08618	1.8
107.26788	1.2
109.10157	73.7
111.08102	2.2
119.08588	5.5
123.11708	5.2
137.09584	2.6
137.13289	2.8
155.10699	3.8
173.11743	23.8
239.23592	8.8
252.87540	1.2
467.37338	75.1
468.37631	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	467.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.3
55.01871	2.5
55.05513	16.0
57.07063	4.0
58.35824	1.1
59.04992	1.3
65.03925	1.7
67.05497	12.0
69.03426	5.9
69.07074	13.6
69.32465	9.4
69.32876	2.9
71.04982	8.1
73.06558	2.6
79.05490	17.6
81.03402	1.4
81.07053	22.5
83.04973	13.1
83.08608	10.2
85.02913	1.4
85.06534	5.5
91.05475	18.7
93.06480	2.9
93.07043	32.6
93.07627	1.6
95.04974	5.5
95.08601	21.7
97.06525	7.3
97.10155	8.0
99.04455	8.5
99.08079	4.2
101.06002	1.5
105.07030	30.3
107.04968	2.0
107.08597	26.8
109.06490	7.3
109.10146	8.7
111.08081	4.3
115.05464	3.3
115.07594	1.3
117.07029	9.4
118.07274	1.6
119.08578	40.2
121.06518	4.9
121.10132	17.2
123.08069	4.9
123.11673	2.4
125.09662	1.5
127.07568	4.1
128.06244	4.8
129.06970	8.3
130.07793	2.1
131.08559	18.9
133.06503	1.9
133.10124	29.7
135.08044	5.5
135.11682	10.5
137.09618	5.2
139.07600	1.8
141.07034	1.8
142.07756	6.6
143.08557	22.7
143.10666	3.6
144.09361	1.7
145.06494	1.9
145.10110	30.0
147.08093	4.8
147.11671	17.1
149.09590	6.1
149.13300	2.9
151.11160	3.5
153.06956	1.8
155.08549	12.8
156.09338	5.5
157.10132	31.5
158.10823	2.6
159.08051	3.5
159.11693	25.1
161.09592	8.4
161.13248	11.9
163.11154	8.1
165.06978	1.5
167.08551	3.9
167.10678	2.4
168.09387	3.0
169.10124	20.9
170.10934	3.4
171.11691	22.3
173.09619	9.6
173.13243	14.0
175.03845	2.7
175.11165	7.8
175.14868	3.7
177.09138	2.9
177.12804	3.2
178.16751	1.4
179.08598	3.9
179.10724	4.0
180.09383	1.9
181.10121	6.4
182.10942	4.4
183.11682	21.1
184.12433	2.7
185.09685	2.3
185.13266	25.6
187.11201	4.4
187.14853	9.8
189.12755	3.4
191.10728	4.6
193.10162	5.1
193.12122	2.9
194.10916	2.0
195.11697	13.5
195.13596	2.4
196.12552	4.1
197.09575	2.0
197.13246	17.0
198.13947	2.0
199.11136	4.7
199.14850	13.7
201.12807	5.1
201.16371	2.9
203.10738	2.4
203.14346	4.6
205.10136	2.6
205.12271	3.6
206.10909	2.4
207.10016	2.1
207.11720	7.3
207.13649	2.4
208.12419	3.1
209.13280	14.2
210.14105	3.4
210.63742	1.4
211.11215	2.7
211.14780	16.2
213.12770	5.9
213.16461	4.0
215.14343	5.2
217.12315	4.9
217.15950	2.8
219.11699	3.4
219.13898	4.4
220.12378	2.2
221.13277	8.6
221.15393	3.3
222.13853	1.9
223.14792	13.6
225.12772	3.8
225.16353	21.2
226.17026	1.9
227.14276	4.1
227.17960	2.8
229.12318	3.5
229.15909	3.3
231.13853	4.2
232.12534	1.5
233.13255	4.1
233.15433	10.0
234.14041	1.4
235.14845	6.1
235.16920	2.5
236.15631	1.6
237.12773	2.8
237.16400	7.5
239.14273	3.6
239.17896	3.8
241.15955	3.3
243.13811	4.0
243.17441	1.9
245.15399	6.0
247.09671	2.4
247.14825	4.5
247.16986	4.9
249.12813	1.5
249.16371	6.7
251.14249	2.4
251.18001	5.4
253.15900	4.4
253.19621	3.3
255.14032	1.4
255.17555	3.8
257.15417	5.3
259.16980	4.3
261.16370	3.4
263.14380	2.1
263.18073	5.2
265.15942	3.3
265.19464	4.0
267.17581	3.3
267.21298	2.1
269.15356	3.5
271.14255	1.8
271.17004	7.0
271.20294	1.8
273.18674	2.8
275.17902	3.7
277.15942	2.3
277.19540	1.9
279.17514	2.9
279.21036	1.6
281.18936	2.4
283.16986	2.6
284.17715	12.0
285.18542	5.8
287.20361	2.8
289.15964	2.3
289.19116	2.2
291.17392	2.5
291.20850	1.7
293.18933	7.1
294.65048	1.4
295.13428	2.2
295.16956	2.1
295.20541	2.4
297.18549	2.8
301.21725	1.5
307.16992	2.5
307.20502	4.3
309.18457	4.9
309.22037	3.1
311.20212	2.3
317.19107	2.2
319.20602	1.8
323.20285	2.9
323.23712	1.8
325.17862	2.4
325.21545	17.3
326.21957	1.5
327.23129	28.3
328.23813	1.8
331.15228	2.1
333.22141	2.5
335.20084	4.0
335.23697	2.5
339.23239	4.8
349.21396	2.2
349.25183	3.2
351.23349	4.8
353.21069	9.3
353.24768	2.7
361.25259	1.9
365.24823	5.8
367.26428	6.2
377.24689	12.0
378.25757	2.0
379.18854	3.8
379.26538	2.1
381.24280	2.0
389.24649	2.4
395.25803	20.8
396.26407	4.1
397.23578	4.5
407.25574	3.0
411.25333	4.1
421.31216	2.2
424.26102	3.5
425.26913	4.2
431.29739	7.1
449.30496	29.2
450.30746	1.6
467.31607	100.0
468.31747	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	467.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72137	2.8
55.05509	21.5
57.03425	13.0
57.07078	74.0
59.05008	4.4
65.03942	5.2
67.05505	84.9
69.07073	21.4
71.04986	7.4
71.08633	35.6
71.32792	5.2
79.05494	9.8
79.51398	3.0
81.07052	55.4
83.08615	20.9
85.06538	25.4
85.10189	24.1
91.04986	2.9
91.05476	20.8
93.06491	4.8
93.07045	69.2
95.04970	5.6
95.08599	44.6
97.10153	9.7
98.98466	50.1
105.07032	27.3
107.08582	15.2
109.02871	3.3
109.10165	52.9
117.06996	6.4
119.08572	24.4
121.10152	13.4
123.11691	13.1
131.08539	6.6
133.06509	3.8
133.10130	13.8
135.04408	13.2
135.11681	20.0
137.00008	4.5
137.13258	6.7
145.10117	5.1
147.04402	15.0
147.08037	6.1
147.11693	8.2
149.05984	18.0
155.01053	54.1
157.10258	4.2
159.04405	7.0
161.06013	8.2
161.09622	4.1
161.13286	28.5
161.34453	3.2
163.03876	3.8
169.62140	3.3
173.05989	4.2
173.11719	12.9
175.03911	68.3
175.07487	6.0
177.05429	8.6
187.03906	28.8
187.07574	9.0
189.05467	5.7
189.09085	16.3
193.10092	3.1
199.03902	14.3
199.07573	3.7
201.09079	8.2
203.10707	7.1
207.10165	8.8
209.09612	4.6
211.07578	3.8
213.09146	6.0
213.30380	3.9
215.10666	9.7
219.10223	8.9
221.11714	4.0
223.07556	21.5
224.08235	6.3
225.09071	6.1
226.06377	6.8
227.10690	7.6
229.08569	22.7
231.10112	8.9
239.23663	12.1
241.08647	30.6
243.10188	18.2
245.04422	9.2
245.11766	9.0
247.07219	3.8
247.09676	61.9
253.08478	5.0
259.09653	11.8
269.15372	4.8
273.14822	21.0
283.17026	5.3
287.16351	11.5
291.15979	19.6
295.13300	55.7
311.16385	10.7
313.14395	39.0
313.17673	6.6
313.27347	100.0
315.15988	6.2
329.17368	10.5
331.15491	31.2
337.17841	3.7
355.22754	5.4
361.17844	9.8
365.21191	11.3
379.14453	5.7
379.19061	80.6
379.23453	3.9
421.27124	28.5
439.28323	11.1
449.26559	49.0
467.27631	13.5
467.37509	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
55.01871	4.4
55.05519	19.9
57.07078	22.9
65.03947	7.7
67.05512	62.9
69.07076	21.1
70.35093	3.6
70.42745	11.2
71.05009	7.1
71.08627	14.1
79.05489	17.9
81.07059	44.0
83.08607	10.4
85.06551	28.8
91.05475	26.6
93.07049	83.9
95.04964	7.8
95.08627	22.1
98.21441	4.3
98.98448	16.7
105.07046	33.3
107.08604	16.1
107.13026	3.6
109.10162	22.6
116.78769	3.6
117.07060	4.3
119.04986	3.9
119.08591	33.9
121.02873	12.9
121.06557	4.9
121.10136	11.0
123.04408	6.8
127.88693	4.0
131.04927	9.4
133.10159	13.5
135.04434	21.2
135.11742	21.9
137.05978	4.4
137.13243	10.5
143.08557	7.1
145.06566	7.4
145.10138	8.9
147.04427	17.4
147.11679	8.2
149.05975	17.2
155.01031	16.2
155.08574	8.8
159.04395	13.5
159.11690	5.1
161.05974	12.0
161.13257	31.8
171.08116	5.8
173.06058	7.8
173.09645	7.0
173.11807	5.4
174.06775	4.4
175.03914	80.9
175.07552	6.2
177.05444	7.6
183.07953	5.4
185.09566	4.5
187.03917	35.6
187.07582	8.2
189.05516	7.6
189.09148	18.4
189.16397	4.4
198.06905	5.0
199.03935	12.6
199.07578	7.1
201.09105	17.6
203.03294	5.0
203.10657	7.6
207.10179	17.5
207.13879	4.4
213.09117	17.2
215.10654	9.2
217.08549	4.6
219.10179	11.4
221.11719	9.9
223.07536	20.6
224.08400	7.3
225.09038	10.5
226.06300	10.1
227.10667	10.7
229.08653	36.8
229.12276	6.4
231.10240	9.0
233.11711	7.1
239.10741	5.0
241.08612	49.3
241.12288	8.9
243.10159	26.2
245.11699	12.1
247.09636	64.0
251.10722	5.5
253.08583	7.7
253.12289	10.2
255.13820	4.7
259.09729	13.5
267.13666	4.2
269.15500	5.5
273.14932	26.8
277.12128	5.3
281.15323	5.4
283.16849	8.0
287.16446	12.0
291.16077	28.6
295.13318	79.3
305.81555	4.0
311.16409	7.9
313.14383	48.0
313.27301	24.3
315.15933	10.8
329.17471	9.2
331.15366	50.7
339.19666	4.4
355.22733	6.9
361.17996	6.4
365.21048	23.2
379.19019	100.0
380.19254	8.5
395.21890	7.9
421.27621	20.1
431.25580	10.4
439.28571	21.6
449.26797	24.6
467.27499	31.6
467.37335	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	467.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.4
55.05510	7.2
57.07061	4.7
58.77319	1.0
59.04992	1.7
65.03938	4.4
67.05505	24.7
69.07070	8.5
69.29475	2.7
69.29879	7.5
71.04975	3.2
76.22356	1.0
79.05499	3.3
81.06596	1.1
81.07059	14.8
83.12601	1.0
84.95150	1.0
85.06551	20.1
91.05476	9.3
93.06480	2.1
93.07046	28.0
95.04962	1.4
95.08587	4.6
97.06568	1.3
98.98478	2.0
103.05457	1.4
105.07022	11.3
106.46663	1.0
107.08572	3.7
109.10156	2.5
117.07016	2.4
119.04916	3.0
119.08582	20.8
121.06488	1.6
121.10136	4.5
123.11689	1.2
126.02263	1.0
129.06992	2.0
131.04921	2.4
133.06464	1.7
133.10121	6.2
135.04417	3.0
135.11668	5.2
137.13258	3.7
143.08530	1.9
145.10124	1.2
147.04391	9.3
147.08061	14.4
147.11647	3.0
149.05986	5.0
157.01463	1.0
159.04420	5.6
161.06042	2.2
161.13258	35.8
163.03871	2.3
171.08092	1.4
173.05963	3.1
173.09589	1.3
174.06667	1.3
175.03906	100.0
176.04399	1.5
177.05482	13.3
177.09152	1.1
185.09650	2.1
187.03883	18.3
187.07532	2.5
189.05475	7.8
189.09082	8.6
189.12677	5.6
198.06808	1.8
199.03955	6.9
199.07561	2.3
201.05461	6.2
201.09087	3.4
203.03409	2.1
203.07033	2.8
203.10728	1.4
207.10054	1.8
213.05461	1.8
213.09082	4.9
215.07065	2.8
215.10693	1.9
217.08521	1.6
219.10104	1.5
221.11606	2.1
225.09016	2.0
226.06242	7.8
227.07016	2.1
227.10596	1.8
228.07750	1.5
229.08575	25.1
231.10179	6.0
239.10678	1.4
241.08600	22.2
243.10173	17.8
243.12828	1.3
243.13745	1.9
247.09671	84.1
248.10054	1.9
249.11336	1.4
253.08571	3.1
253.12155	1.4
259.09702	8.0
261.11545	1.7
261.11966	1.9
261.14868	13.6
271.09705	3.4
273.14819	2.9
287.12939	1.5
287.16074	1.2
291.15872	2.2
295.13412	7.6
305.13809	1.7
311.16486	8.5
313.14365	15.9
313.26535	3.3
315.15866	3.2
331.15399	52.7
332.15555	1.4
365.21219	5.6
377.21045	3.6
379.22675	1.4
383.22141	6.4
395.22348	11.8
421.27029	1.5
431.25781	2.0
449.26727	19.2
450.26694	1.4
467.27048	5.0
467.37521	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
54.04180	1.3
55.05505	5.3
57.07077	7.6
59.05011	9.0
65.03938	2.3
67.05180	1.6
67.05510	18.1
69.07073	8.0
69.37040	14.9
71.04979	2.1
79.05480	6.5
81.07051	12.2
83.08622	2.1
85.06553	11.1
91.05486	22.0
93.07045	100.0
95.04961	4.0
95.08591	7.1
98.20722	1.7
105.07030	21.6
107.08578	11.0
109.06489	2.2
109.10171	9.5
115.05514	1.5
117.06977	4.2
119.04973	1.7
119.08584	30.3
121.06462	2.1
121.10123	6.9
123.11679	2.1
128.06247	1.9
129.06976	4.7
131.04961	2.7
131.08560	4.3
133.06512	3.7
133.10110	12.4
135.04398	6.5
135.11700	19.2
142.07785	2.2
143.08546	5.7
145.06500	3.5
145.10095	5.8
146.07262	1.7
147.04436	9.7
147.08060	6.0
147.11656	4.9
149.05963	5.2
156.09386	1.6
157.06470	2.9
157.10078	3.1
159.04416	2.7
159.08035	1.9
159.11667	4.3
160.05219	1.7
161.05988	6.4
161.13260	33.5
167.08470	2.6
171.04396	2.5
171.08066	3.8
171.11786	3.3
173.05965	6.9
173.09648	4.6
174.06802	2.9
175.03915	23.5
175.07520	8.7
177.05492	5.9
181.10030	1.9
183.08073	2.1
185.05972	2.9
185.09624	5.5
186.06628	1.9
187.03903	10.8
187.07518	4.3
187.11185	3.1
189.05463	2.7
189.09119	12.4
189.12764	2.2
197.05963	2.2
197.09520	1.9
198.06743	1.6
199.03931	5.3
199.07449	3.3
199.11182	3.8
201.05482	4.5
201.09084	12.1
203.10657	7.2
207.10127	6.8
209.09555	2.3
211.07591	2.9
211.11172	2.5
213.09123	6.0
215.07065	11.1
215.10544	8.1
219.10149	20.5
221.11598	3.0
223.07552	5.6
223.11090	2.3
225.09137	3.2
226.06274	5.9
227.10643	7.7
229.08601	8.3
229.12225	2.6
231.10188	5.7
233.11815	9.0
239.10703	1.9
239.23860	1.9
241.08601	30.2
241.12210	3.2
241.15981	2.4
243.10193	7.0
243.13783	3.3
245.11710	11.9
247.09639	18.6
249.09177	3.0
251.10526	1.8
253.12360	1.7
255.13701	3.6
259.09659	40.2
259.12515	2.9
261.14923	2.7
263.10590	3.1
265.12244	2.1
267.13736	1.9
269.12222	2.5
269.15356	21.7
273.14914	14.3
277.12268	2.1
279.13702	2.1
285.14825	1.7
287.16443	26.7
291.15970	32.8
293.15286	2.7
295.13367	10.2
297.15036	2.6
305.17441	15.3
311.16449	4.1
313.14407	23.4
313.17743	1.9
325.14343	2.8
329.17520	11.1
331.15369	28.3
332.15591	1.8
333.18314	2.2
335.16431	2.1
335.20123	1.6
347.20163	3.7
349.21463	3.5
351.19183	1.5
355.22607	1.7
361.17694	3.0
361.21701	2.1
363.19400	2.1
365.21140	4.6
367.22647	6.9
378.52405	1.8
379.14459	2.6
379.19055	39.8
379.23907	2.3
383.22018	2.8
395.22162	4.6
395.39316	1.6
397.19858	2.2
403.26251	4.9
421.27335	15.0
431.25681	6.0
431.38702	1.8
439.28442	46.1
440.28503	2.1
449.26691	10.5
467.27838	42.9
467.37439	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	467.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.05512	12.9
57.07070	16.7
65.03945	6.4
67.05505	51.6
69.07079	12.1
70.33861	5.3
70.34261	4.2
71.04980	6.5
71.08627	4.6
79.05478	5.9
81.07054	30.4
83.08599	8.5
85.06152	2.5
85.06554	27.4
85.10154	3.6
91.05489	19.3
93.06483	4.4
93.07044	59.8
95.04948	3.3
95.08595	13.4
97.10149	4.4
105.07040	18.3
107.08582	7.3
109.10143	25.1
117.07038	4.8
119.08567	20.0
121.06474	4.3
121.10151	11.7
123.04433	3.8
123.11695	3.8
127.16424	2.2
129.06987	3.5
131.04915	3.4
131.08577	3.8
133.06519	3.2
133.10103	8.3
135.04440	13.3
135.11670	12.1
137.13280	4.6
145.10155	3.0
147.04402	14.1
147.08066	4.6
147.11667	6.2
149.05946	16.4
157.10045	3.8
159.04407	9.5
159.11720	4.7
161.05954	9.7
161.09590	3.5
161.13277	26.1
163.03888	4.2
171.08037	3.9
171.11681	2.6
173.05937	14.3
173.11719	7.6
174.06888	4.9
175.03909	78.4
175.07552	5.3
177.05464	7.5
185.05974	4.5
185.09564	3.8
187.03882	30.9
187.07500	5.8
189.05457	9.0
189.09077	16.4
189.12842	3.0
195.08098	4.1
197.09525	2.7
198.06743	2.6
199.03848	10.8
199.07689	3.2
201.05458	5.5
201.09084	13.9
203.03404	3.5
203.10670	9.6
207.10109	13.8
209.09644	3.3
211.07556	5.0
211.11217	3.1
213.05453	3.0
213.09132	9.0
215.07158	2.6
215.10677	12.1
219.10164	9.2
221.11778	7.6
223.07571	18.0
224.08165	5.4
225.09041	5.0
226.06215	8.8
227.10663	7.1
229.08620	32.6
231.10100	13.3
233.11766	3.1
237.09119	2.5
241.08580	47.4
241.12169	4.2
243.10175	34.5
245.11772	8.5
247.09651	87.5
248.10056	2.4
253.08493	4.0
255.10147	4.7
255.13826	3.5
259.09506	13.4
261.14835	4.0
263.10876	3.4
267.13693	2.7
269.15240	4.2
271.09589	2.8
273.14795	21.6
277.12286	5.5
283.13788	2.7
283.17056	6.4
287.16470	12.2
291.15924	34.3
295.13275	62.3
297.14972	3.5
305.17450	4.1
311.16504	13.8
313.14322	44.4
315.15930	11.7
329.17441	20.6
331.15363	43.5
335.16461	2.9
337.21786	2.8
341.17456	4.0
343.15506	5.9
355.22668	7.3
361.17831	10.6
365.21094	15.1
367.22638	3.4
377.21057	3.2
379.18991	100.0
380.19348	3.2
383.22147	3.7
395.22305	5.0
403.26425	4.2
421.27393	14.5
431.25824	11.6
439.23090	2.9
439.28381	16.1
449.26776	20.4
467.28085	8.7
467.37329	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	467.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
55.05510	11.5
57.07080	8.4
57.59469	1.3
65.03933	5.4
66.68820	1.4
67.05508	33.2
69.07079	8.8
69.42714	10.6
70.35825	1.6
71.04982	4.3
71.08633	2.3
79.05486	5.4
81.07050	10.0
83.08609	1.8
85.06544	25.6
85.10178	2.3
91.05486	13.9
93.07043	16.9
95.04884	2.5
95.08611	5.2
97.10163	1.7
105.07027	10.4
107.08587	5.5
109.10150	16.5
117.06963	1.9
119.04938	3.7
119.08587	9.8
121.06513	5.9
121.10143	5.1
123.04420	3.5
123.11662	1.8
129.07019	14.7
131.04938	2.7
133.06491	6.0
133.10124	6.0
135.04387	8.5
135.11705	7.2
143.08531	2.5
145.06482	1.9
145.10101	3.3
147.04408	11.6
147.08022	10.7
147.11678	3.8
149.05986	2.7
157.10091	1.9
159.04385	7.7
159.08058	3.5
161.05992	2.2
161.09590	2.0
161.13269	20.6
163.03883	3.8
171.04398	2.1
171.11665	2.6
173.05988	4.2
173.09651	2.4
173.11720	2.8
175.03911	100.0
175.07405	3.0
175.11047	1.7
176.04414	3.1
177.05444	8.1
177.09177	1.6
183.08063	2.0
185.09712	2.0
187.03883	24.8
187.07597	4.0
187.11038	2.1
189.05513	7.6
189.09113	18.0
189.12747	6.4
195.08037	2.1
197.05977	1.7
197.09641	2.6
199.03899	7.5
199.07504	2.7
201.05447	5.3
201.09119	6.9
203.03360	3.7
203.07057	2.3
203.10706	3.2
207.10101	11.2
211.07448	2.6
213.05537	1.8
213.09138	5.7
215.07085	3.0
215.10612	1.9
217.05009	2.6
217.08591	2.2
219.10207	4.1
223.07535	2.8
225.09203	2.3
226.06224	8.1
227.07074	2.2
227.10849	2.2
229.08597	29.4
231.10098	10.9
233.96118	1.7
239.07114	2.0
239.10686	1.9
241.08592	37.3
243.10150	24.6
243.13904	4.1
247.09653	95.7
248.10005	1.8
253.08600	4.0
253.12234	6.2
255.10060	3.3
255.13937	4.1
259.09705	12.6
261.11496	3.1
261.14917	4.6
265.10718	1.7
271.09796	2.4
273.14853	25.2
291.15964	17.6
293.15222	1.9
295.13242	10.9
309.15094	2.1
309.18436	7.0
311.16409	6.9
311.19937	3.7
313.14340	36.2
313.17645	3.1
315.16089	2.2
331.15393	56.5
332.15652	3.1
345.17084	3.0
355.22482	9.5
365.21118	10.3
367.22699	2.6
377.20618	2.4
377.24670	5.1
383.22195	5.0
395.25833	7.1
421.27332	9.4
431.25751	5.6
439.28613	9.2
449.26819	17.4
467.28033	4.5
467.37341	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	467.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.05502	4.5
57.07068	3.8
57.78665	1.1
65.03930	4.7
67.05510	18.4
69.07072	7.7
69.39860	10.3
71.04980	1.8
79.05491	2.3
81.07066	7.4
83.58975	1.1
85.06551	15.7
91.05488	7.7
93.06483	2.1
93.07047	31.7
93.34866	1.1
93.48616	1.2
95.08602	2.0
97.06548	1.2
105.07035	13.2
107.04974	1.2
107.08567	3.0
109.10168	1.5
117.06960	1.5
119.04912	2.4
119.08585	21.1
121.10114	2.5
123.11742	1.4
131.04918	3.6
131.08517	1.8
133.10089	5.4
135.04427	2.7
135.11711	4.2
137.13234	1.3
143.08572	1.2
145.06442	2.0
147.04414	11.0
147.08051	14.6
147.11725	1.8
149.05954	4.1
159.04440	4.8
161.05885	1.6
161.09653	1.3
161.13263	42.5
163.03902	3.1
167.08458	1.1
169.09998	1.2
171.04372	2.0
173.06042	2.0
173.09636	1.1
175.03915	82.4
177.05484	11.2
185.06030	1.2
187.03896	14.9
187.07596	1.9
189.05435	5.3
189.09076	6.7
189.12721	3.6
195.08014	1.3
198.06758	1.3
199.03943	11.0
199.07507	1.5
201.05444	5.9
201.09111	3.1
203.03326	1.8
203.07059	2.6
205.04999	2.6
207.10182	3.9
210.06667	1.1
213.05447	1.2
213.09087	5.4
215.07027	2.5
215.10634	2.3
221.11777	1.8
223.07695	1.2
225.08989	1.6
226.06160	8.7
227.06949	1.9
227.10634	1.5
229.08611	22.7
231.10158	5.8
239.07014	1.2
241.08621	30.0
243.10188	19.9
247.09671	100.0
248.09979	1.7
249.11143	2.6
253.08516	2.5
259.09628	8.3
261.11038	2.0
261.14883	22.1
271.09622	2.5
273.14789	3.6
279.13708	1.9
287.16367	2.6
291.15955	1.2
295.13284	4.4
297.14990	1.5
311.16437	10.0
313.14337	24.3
314.14636	1.5
315.15936	3.4
331.15393	38.9
351.19662	1.8
355.22635	1.3
365.21036	3.8
377.21085	7.3
383.22244	11.3
395.22174	14.7
421.27362	1.8
422.20898	1.3
431.25751	1.6
449.26880	26.1
467.27820	3.5
467.37601	1.7
473.80850	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.05507	10.7
57.07065	8.7
65.03935	3.1
66.21411	1.9
67.05505	34.4
69.07063	7.6
69.43566	16.6
71.04996	2.1
79.05489	5.4
81.07057	17.4
83.01325	1.9
83.08602	3.6
85.01232	2.0
85.06538	21.4
91.05491	16.4
93.07041	54.1
95.04976	2.3
95.08601	7.3
98.20789	4.6
103.05440	2.8
105.07022	20.5
107.08599	9.5
109.06493	2.2
109.10181	7.4
115.56333	2.2
117.07034	4.4
119.08576	17.5
121.06493	4.6
121.10119	5.1
123.11700	2.4
129.07048	3.2
131.04919	6.2
131.08574	4.6
133.06496	6.0
133.10124	8.6
135.04428	13.5
135.11674	11.9
143.08559	3.8
145.06467	5.0
145.10173	2.0
147.04407	10.6
147.08061	4.8
147.11691	8.3
149.05925	14.6
155.08513	3.3
157.10158	2.7
159.04427	7.7
159.08130	3.8
159.11700	4.6
161.05983	8.0
161.09593	2.4
161.13264	19.2
171.04405	3.2
171.08032	3.4
173.06003	8.9
174.06744	2.0
175.03906	69.4
175.07486	5.8
177.05493	6.1
177.09383	2.5
185.06015	2.9
185.09608	3.3
187.03893	23.6
187.07556	4.4
189.05486	4.7
189.09154	12.6
189.12709	3.6
195.08104	3.4
196.08853	3.9
197.09547	3.5
199.03944	8.5
199.07556	7.7
201.05444	7.0
201.09122	10.3
203.03293	3.3
203.10750	5.4
207.10132	11.1
209.09552	2.5
211.07567	5.6
213.05502	2.9
213.09048	9.2
214.36462	2.1
215.07036	4.6
215.10730	6.5
219.10152	7.9
221.11708	5.4
223.07547	32.6
224.08238	6.2
225.09062	6.9
226.06252	9.6
227.10664	6.9
228.07971	3.4
229.08566	18.8
231.10165	8.4
232.85519	2.3
237.09097	3.1
239.10835	3.0
241.08566	37.8
241.12228	4.1
243.10164	21.4
245.11732	4.6
247.09648	53.0
250.85194	2.2
251.10872	2.5
253.08681	3.6
253.12160	3.8
255.13976	2.6
259.09760	9.6
269.15353	5.4
273.14880	10.5
277.12241	6.2
283.16824	4.2
287.16379	8.7
291.15936	22.7
293.15210	3.8
295.13290	55.6
295.16656	4.2
299.16742	2.6
305.17487	3.2
309.14682	3.3
309.18503	2.5
311.16458	6.4
313.14319	32.5
313.17685	2.9
315.15915	3.0
329.17477	7.0
331.15341	32.9
343.15405	3.0
361.17935	9.9
365.21249	9.7
367.22522	3.3
379.19006	100.0
380.19528	3.8
421.27484	8.0
428.42633	2.4
431.25848	5.1
439.28436	11.6
449.26880	14.8
467.28308	4.4
467.36890	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	467.2792
Annotation	Wilforol A
Peak:m/z	Relative Intensity
50.56755	1.6
53.03936	2.0
55.01874	2.1
55.05503	6.0
57.03433	3.3
57.07073	9.6
59.04997	7.9
67.05515	11.4
69.07066	11.9
70.56914	3.3
71.08630	3.6
74.30293	1.7
79.05484	6.9
81.07056	20.6
83.08611	3.6
85.06535	8.2
85.10183	1.7
91.05482	19.1
93.07044	100.0
93.89510	1.5
95.04979	4.0
95.08612	10.1
98.98468	4.4
102.38859	1.6
103.05457	2.3
105.04488	1.8
105.07031	25.1
107.08611	11.3
108.92804	1.6
109.10152	8.8
115.05470	1.9
117.07021	4.8
119.07813	2.3
119.08600	29.6
121.02895	3.7
121.06508	1.8
121.10122	5.7
123.11726	2.6
124.44935	1.6
129.06989	5.2
131.04918	3.6
131.08609	4.1
133.06432	3.3
133.10138	13.8
135.04405	6.9
135.11693	18.8
137.13274	3.8
141.06987	2.0
143.08525	3.6
145.06471	5.4
145.10132	4.8
147.04439	4.2
147.08037	4.5
147.11722	4.1
149.05997	6.3
154.60605	1.5
155.01050	4.5
155.08539	2.1
157.06496	2.2
157.10101	2.9
159.04407	3.9
159.08084	4.5
159.11720	5.8
161.05977	5.3
161.13261	35.3
165.06964	1.6
167.08536	2.8
169.10190	1.9
171.07944	3.8
171.11719	4.0
172.08939	2.0
173.09637	5.2
173.11693	2.5
175.03900	12.2
175.07565	8.2
177.05399	2.5
177.22754	1.6
181.10210	2.0
183.08064	2.0
185.05991	4.2
185.09612	4.8
187.03925	5.8
187.07518	6.1
189.05548	2.5
189.09172	10.9
193.10139	1.8
197.06001	2.0
197.09647	5.7
198.06848	2.7
199.03893	6.6
199.07637	2.0
199.11220	3.2
200.08281	2.4
201.05495	3.2
201.09148	14.1
201.12863	1.9
203.07043	2.5
203.10617	8.6
207.10191	6.2
209.09599	2.9
211.07529	2.4
211.11168	2.6
213.09149	6.8
215.07072	13.9
215.10619	10.5
219.10112	15.0
221.11716	3.0
223.07565	4.3
225.09138	5.0
225.12570	1.8
226.06226	8.8
227.10686	7.7
227.14261	2.1
229.08607	5.3
229.12279	7.1
231.10152	4.8
233.11739	7.2
235.10944	1.7
237.12746	2.0
239.10770	4.0
241.08592	38.9
241.12230	3.4
243.10139	5.2
243.13776	3.1
245.04358	3.6
245.07957	2.2
245.11768	6.7
247.09467	8.0
253.08614	3.0
253.12170	2.3
255.13840	7.2
259.09671	39.3
259.12531	3.0
259.13452	2.0
263.10904	1.9
265.12329	4.0
267.13681	1.9
269.15381	27.4
271.09521	2.3
273.14865	32.3
277.12289	2.2
279.13980	2.7
281.15448	3.3
283.16824	2.7
287.16455	29.1
291.15924	25.8
293.14880	1.8
295.13245	7.2
301.18265	1.9
305.17450	11.8
307.16736	2.1
313.14325	25.5
313.27386	11.2
325.14438	2.0
329.10138	2.0
331.15405	24.9
333.18506	2.3
335.16580	1.9
335.20218	2.2
347.19879	2.5
349.21741	4.1
351.19464	2.8
355.22818	2.7
365.20950	3.8
367.22662	7.1
379.18970	23.1
379.23248	2.3
395.22119	4.8
402.97083	1.8
403.26221	9.2
421.27371	18.6
431.25732	5.3
432.27322	1.9
439.28421	54.4
449.26663	16.8
467.27869	71.8
467.37634	5.3
468.28711	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31664	3.0
52.39228	4.2
53.03944	21.4
53.04807	2.9
55.01865	16.9
55.05513	18.0
57.03440	20.4
61.02906	11.9
65.03948	4.7
67.05501	32.2
68.99779	12.1
69.03427	83.2
69.07059	18.6
69.24041	16.6
69.24464	19.0
70.06576	4.4
71.04980	13.3
73.02900	11.3
79.05482	27.9
81.02940	3.7
81.03413	68.5
81.06590	6.2
81.07053	100.0
83.01344	3.4
83.04971	10.5
83.08617	11.2
84.08122	4.6
85.02907	97.0
85.06525	11.3
87.00827	42.3
89.79503	3.4
91.05483	39.4
93.07044	50.7
93.28288	3.5
95.04340	2.7
95.04954	15.5
95.08600	66.0
97.02893	45.6
97.06535	9.4
99.04449	23.4
100.11243	6.5
103.03915	5.5
105.01878	24.6
105.07034	65.3
107.04927	5.9
107.07885	5.2
107.08594	81.2
109.02882	66.0
109.06497	11.7
109.10161	37.4
111.04434	10.1
114.09209	6.0
115.03903	7.6
115.05419	5.9
117.01841	4.9
117.07000	14.5
119.08585	85.3
121.06499	4.8
121.09337	5.7
121.10147	80.5
123.04388	6.3
123.08054	9.7
123.11698	8.3
125.09653	7.0
127.03913	84.5
128.06195	3.9
129.01781	7.5
129.07021	8.9
130.07785	6.4
131.08562	36.3
133.10130	37.3
135.08040	9.2
135.11679	14.0
137.05959	4.2
137.09639	5.5
137.13243	3.7
142.08688	4.8
143.08527	14.6
144.09305	9.5
145.04968	26.2
145.10118	73.4
147.02841	6.9
147.11700	25.3
149.09602	8.0
149.13223	7.0
151.07521	3.9
151.11214	3.7
155.08572	4.9
157.10117	20.4
158.10672	4.5
159.02864	39.2
159.08034	6.7
159.11691	74.4
160.03218	3.9
160.12308	4.4
161.09665	5.6
161.13246	29.6
163.14818	7.0
169.10101	8.0
171.11652	13.8
173.13252	24.7
175.11124	5.3
175.14821	7.6
176.54285	3.5
181.52997	3.8
182.15375	9.9
183.11598	4.7
185.13190	5.7
187.14784	3.6
189.03903	3.6
189.12744	6.0
189.16377	4.8
191.17838	6.2
197.13200	5.0
199.14752	8.9
201.12720	3.4
201.16396	81.0
202.16753	3.9
203.14281	5.0
203.17947	13.0
209.13206	3.8
210.14957	11.7
211.14911	4.8
213.12575	3.9
213.16367	7.1
215.14192	4.8
217.15924	6.7
219.06532	34.4
219.17400	45.8
225.16605	3.7
231.04924	16.1
231.17409	7.6
243.17511	5.8
247.05923	4.0
320.68729	4.1
325.09283	5.3
327.19580	6.6
427.53235	4.2
431.20609	4.2
449.21542	7.7
449.29117	3.8
467.22638	12.1
467.30347	4.6
467.36240	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	467.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70173	2.3
53.03940	20.1
55.01872	12.3
55.05505	11.6
57.03433	12.3
61.02919	10.8
65.03945	2.8
67.05508	19.7
68.85067	2.3
68.99788	12.0
69.03429	67.4
69.07073	13.6
69.90623	12.6
70.06600	3.3
71.04990	9.9
73.02927	14.3
79.05082	2.6
79.05499	32.1
81.03419	76.2
81.07056	83.6
83.04983	6.8
83.08614	8.4
85.02905	100.0
86.03168	2.4
87.00828	59.9
91.05476	35.3
93.07040	51.7
95.04977	15.7
95.08605	50.8
97.02891	46.6
97.06554	6.0
99.04455	26.0
103.03922	6.8
103.05466	4.2
105.01878	25.2
105.07028	76.9
106.43337	2.3
107.04934	5.2
107.08588	87.6
109.02876	60.4
109.06516	10.3
109.10157	26.7
111.04441	6.9
111.08078	3.8
115.03956	4.7
115.05437	4.9
117.01833	8.1
117.07020	19.5
119.08578	51.5
121.06488	7.8
121.10140	49.8
123.04413	5.1
123.08061	6.0
123.11720	5.6
127.03914	90.5
128.06223	5.4
129.01859	8.4
129.07005	11.9
130.07782	9.5
131.08589	35.8
133.10121	31.2
135.08060	6.8
135.11707	7.1
137.09605	3.7
141.06989	4.1
142.07785	5.9
143.08580	16.6
144.09294	9.7
145.04974	20.5
145.06126	3.1
145.06384	2.7
145.10126	77.5
146.10841	3.6
147.02907	8.5
147.08054	7.6
147.11681	32.7
149.09605	5.3
151.11148	2.6
154.07776	3.6
155.08546	5.5
156.09315	4.8
157.06435	3.1
157.10110	19.3
158.07225	3.3
158.10986	2.9
159.02904	31.9
159.08034	4.6
159.11691	82.2
160.12090	3.2
161.09682	4.2
161.13235	26.3
163.07536	4.9
163.11168	6.2
163.14830	7.0
165.09096	5.3
169.10124	7.3
171.08076	5.2
171.11719	13.8
172.08849	5.1
173.09656	5.7
173.13269	21.6
175.11162	3.1
175.14821	6.7
181.08525	3.2
181.10065	5.2
183.11702	6.8
185.13252	5.0
186.10399	5.9
187.06088	2.4
187.11147	4.2
187.14819	8.5
189.03883	5.5
189.16414	4.1
190.14174	3.0
191.17862	2.9
193.15758	2.8
195.11584	3.1
197.13200	3.4
199.11172	4.5
199.14821	12.5
201.12749	34.1
201.16389	82.4
203.14275	2.7
203.17992	9.6
207.06435	2.6
211.14841	5.7
213.03938	3.8
213.16377	6.7
215.14407	4.4
216.06151	5.1
217.15881	6.7
219.13766	3.3
219.17387	25.1
225.16272	5.6
229.15833	3.9
231.05072	6.3
231.17451	5.1
243.05217	8.4
243.13795	4.4
244.05586	9.7
267.17352	3.0
271.04767	10.5
272.05109	15.3
273.18701	2.4
289.05795	9.2
290.06110	20.0
291.17520	3.7
304.08130	25.5
305.05154	4.7
305.08499	64.8
306.08829	3.1
309.18484	5.4
327.19547	8.3
431.20657	4.1
449.21594	9.9
453.53214	2.4
467.13635	24.2
467.22858	9.0
468.13885	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	466.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.05512	2.8
56.05030	3.4
57.03428	2.3
58.06588	2.0
61.02920	2.9
63.72819	1.7
67.05500	2.0
69.03427	8.5
70.06591	8.7
70.91589	3.3
71.04997	2.4
72.08154	3.1
73.02923	2.9
74.06057	2.9
75.04980	1.6
79.05470	1.8
81.03397	5.8
81.07074	2.0
84.04485	4.6
84.08147	3.7
85.02908	23.9
85.04001	2.4
86.09683	5.8
87.04465	2.2
91.05467	2.2
93.07040	3.3
95.04974	2.9
97.02919	8.7
97.03989	3.5
99.04430	2.6
99.05560	2.9
102.22487	1.8
105.03362	3.7
106.23716	2.0
109.02874	4.9
110.07129	2.5
113.06034	2.0
113.07062	1.6
115.05043	4.5
118.06574	1.7
120.08130	2.4
121.02757	2.1
125.03471	4.0
125.07125	5.1
127.03934	7.9
130.06528	59.5
130.07503	3.0
131.07002	2.0
134.06033	4.9
136.07520	3.3
141.06590	3.9
142.82875	1.7
145.04942	4.0
146.05997	11.1
147.04350	2.9
148.07581	1.6
153.06584	6.2
154.04961	3.6
157.07599	57.2
158.06021	4.6
159.09119	2.2
167.60648	1.7
173.41533	1.8
175.08606	2.6
185.07127	4.8
218.11784	2.9
240.11482	2.2
242.09248	49.9
258.12396	8.7
260.10266	11.3
268.10828	7.2
286.11853	100.0
287.12057	3.9
303.04990	6.2
304.05392	20.3
304.12839	28.9
304.15771	2.4
390.24786	1.9
400.04599	1.6
430.16104	2.3
466.21213	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	466.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	10.7
55.01861	8.7
55.05500	15.9
57.03427	8.4
59.04985	7.8
60.04523	7.3
61.08926	3.9
62.86625	3.8
67.05512	42.8
69.03434	39.8
69.07059	13.0
70.03750	5.0
70.06593	49.0
70.62975	3.6
71.04993	59.6
71.51859	4.4
72.08138	13.4
72.76244	4.4
79.05488	29.9
81.03442	28.3
81.07055	42.4
83.04965	12.1
84.04505	10.8
84.08136	14.7
85.01393	4.1
85.02905	54.3
85.06536	9.0
86.03235	4.5
86.09699	47.5
87.00819	16.5
91.05475	23.7
93.07043	39.0
94.07382	4.5
95.04951	23.6
95.08609	34.0
97.02903	28.0
97.06531	12.7
99.04414	10.4
99.08083	7.6
105.01849	14.3
105.07028	42.0
106.07330	5.0
107.04936	5.6
107.08575	32.0
109.02877	30.0
109.06487	9.7
109.10162	44.4
110.05984	5.0
110.07158	11.9
112.05004	3.9
115.02349	4.3
119.08577	38.0
120.08078	16.9
121.06451	6.0
121.10115	20.3
122.06042	4.6
123.08022	12.2
123.11717	4.3
124.07587	8.5
124.99938	4.8
125.09609	7.1
127.03898	38.5
128.95168	4.1
129.10214	6.3
131.08545	8.6
133.06433	5.0
133.10152	5.6
135.11761	4.8
136.07574	10.8
137.05957	6.4
137.09644	22.0
145.04938	13.6
145.06203	5.0
145.10103	12.3
146.06033	9.1
147.04391	10.8
147.08015	9.1
147.11670	38.2
153.01823	11.9
157.81990	4.9
159.02808	7.8
159.11690	5.3
161.09554	4.9
162.05478	9.0
165.09093	29.2
165.11400	6.8
165.12762	90.8
166.08746	9.9
167.07155	5.7
174.09097	10.0
178.04984	4.5
183.10155	6.9
183.13791	40.4
184.07393	10.7
186.09146	19.6
198.09125	5.8
199.14861	6.2
200.10710	12.7
204.10246	14.5
206.04474	8.5
218.11734	32.1
219.06526	5.4
228.15968	15.1
268.13168	7.0
268.19937	10.0
271.04761	5.0
285.12360	11.0
286.14624	7.6
289.05707	12.4
303.04999	42.6
304.05289	100.0
304.08295	23.4
304.11526	8.8
304.15533	5.4
305.05356	8.2
331.37692	4.4
380.16949	5.4
448.19330	16.1
466.20395	54.9
466.27579	13.2
467.15106	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	466.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01870	2.2
55.05504	2.5
56.05008	1.5
57.03427	2.7
61.02923	2.6
62.12553	0.9
63.04100	0.8
66.10296	0.9
67.05500	1.9
69.03084	1.6
69.03430	20.1
69.07059	1.5
70.06590	10.8
71.04976	3.2
71.51981	1.5
72.08139	3.0
73.02904	2.5
75.06437	1.0
79.05473	2.4
81.03415	12.2
81.07052	1.9
82.06584	1.0
83.04973	2.0
84.04506	1.7
84.08133	4.0
85.02903	20.7
86.09697	3.1
87.00820	3.7
87.04448	1.2
91.03991	1.0
91.05476	2.3
93.07034	2.8
95.04964	2.2
95.08602	1.9
96.08164	1.0
97.02302	1.4
97.02891	17.4
99.04453	5.4
99.66958	1.1
101.02345	1.2
103.03996	1.6
105.01857	1.9
107.08520	0.9
109.02875	10.2
109.10161	1.5
111.96032	0.9
116.07107	1.3
119.08597	1.5
120.08107	3.1
121.02839	1.1
121.06538	0.9
121.10162	1.6
123.08094	1.5
124.03933	1.2
126.38009	0.9
127.03913	13.1
129.10228	1.6
130.06546	1.1
131.07271	1.1
132.08122	1.7
136.07666	1.3
138.05540	1.0
138.09125	2.1
139.11163	1.3
145.04968	2.6
145.14209	0.9
146.09624	2.6
154.05037	1.9
154.12268	1.7
157.08807	1.2
159.06812	9.0
165.09134	1.9
166.04930	0.9
172.11198	3.3
173.08369	5.8
174.09145	41.4
175.09724	1.2
181.04976	1.4
183.10127	2.6
184.06099	1.4
184.07623	2.0
186.09111	4.9
187.06041	1.6
188.03766	2.0
188.10689	1.3
198.09157	4.1
200.10701	31.9
201.11151	2.1
202.08701	1.3
210.09161	1.8
214.18062	2.6
215.18381	2.6
216.10188	3.5
218.11760	100.0
219.12169	3.2
226.08585	0.8
228.10181	10.7
242.11700	1.7
248.31592	1.0
258.11252	1.4
260.12848	2.4
262.14853	0.9
287.24078	1.5
303.26450	1.9
304.08167	1.3
304.26752	3.0
306.91873	1.2
336.14450	5.1
378.15512	1.8
380.17023	41.0
381.17316	1.6
422.12335	1.8
422.18079	37.8
423.18539	2.0
448.16132	8.9
449.29147	1.5
466.17087	74.5
466.31711	3.4
467.17532	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	466.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.01851	2.9
55.05513	0.7
56.05014	0.8
57.03438	4.5
61.02929	3.7
67.05497	0.8
67.39414	0.6
68.99770	0.7
69.03432	27.4
69.07060	0.8
70.06596	4.9
71.04977	2.9
71.52729	0.9
72.08128	1.4
73.02917	5.7
78.77748	0.7
79.05473	1.3
81.03418	22.3
81.07043	1.5
83.01318	0.6
84.04488	0.8
84.08151	1.8
85.02909	24.3
86.09692	2.8
87.00837	3.6
87.04462	2.6
91.05442	0.8
93.07066	1.1
95.08596	1.2
97.02303	0.9
97.02888	13.5
97.06509	0.8
99.04460	7.3
101.02356	1.1
103.03963	0.7
105.01884	1.5
105.07023	2.4
107.04926	0.8
107.08575	1.0
108.08092	0.7
109.02135	0.8
109.02879	15.6
109.06514	1.3
109.28625	0.6
110.07151	0.6
115.03936	1.1
119.04918	0.8
119.08590	0.9
120.08076	2.8
121.08419	0.9
123.11777	0.8
124.03963	0.7
127.03917	17.2
129.01796	0.7
130.06496	0.7
131.07307	1.9
132.08089	1.8
136.07564	1.4
137.09644	1.1
138.05507	1.5
139.07573	0.6
140.06990	0.7
144.08037	1.4
145.04982	3.2
146.09634	2.4
147.04391	1.2
154.04848	1.1
156.06522	0.9
157.08868	1.5
159.02855	1.8
159.06787	8.8
160.07547	2.5
165.09131	0.9
172.07631	1.6
172.11188	3.6
173.08327	7.7
174.09151	58.5
175.09448	1.7
182.09642	0.7
184.06024	3.3
184.07562	2.2
186.09143	6.3
187.06023	3.6
187.09883	1.4
188.03815	1.5
188.10796	1.5
198.09111	5.9
200.10704	32.4
201.11197	1.2
202.08925	1.6
210.09105	1.3
212.10626	1.3
215.12665	0.9
216.10213	5.0
216.12024	0.8
218.11758	100.0
219.12082	2.7
222.09155	0.7
226.08661	1.2
226.12199	1.3
228.10222	12.4
230.11740	1.0
236.10825	0.8
242.11716	1.9
244.76074	0.7
246.11403	1.3
253.13364	5.7
254.11682	1.0
258.11108	1.1
260.12848	4.7
264.13940	0.8
282.11047	1.4
284.12695	1.1
298.13724	0.6
304.05164	1.1
304.08325	1.5
304.11533	0.7
308.12717	2.1
326.13876	1.8
336.10718	0.9
336.14420	12.0
378.15479	5.2
380.17032	46.7
381.17261	2.6
386.15640	1.0
404.17004	2.6
422.18097	90.5
423.18304	4.6
438.19681	0.9
448.16077	8.3
466.17068	73.9
467.17596	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	466.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.6
57.07048	1.1
57.52981	0.4
57.56694	0.4
63.27906	0.4
63.36873	0.4
63.88302	0.4
67.05476	1.5
68.61605	0.4
70.06564	1.7
70.15384	1.8
79.05466	1.2
81.07037	0.9
88.07603	1.3
91.05476	0.8
93.07038	0.7
95.04945	0.6
95.08565	0.7
95.43941	0.4
98.21452	0.7
102.09166	0.9
103.05446	0.9
105.07033	3.3
109.10131	0.5
115.05435	1.0
117.07043	0.5
119.08569	0.6
133.06482	2.1
139.86438	0.5
149.02324	4.2
161.05975	0.8
169.54034	0.4
173.04756	0.5
177.05533	0.4
193.04967	4.2
193.08588	0.7
194.09338	1.0
201.04144	5.3
216.06606	1.6
228.06560	0.9
229.03705	4.3
231.05325	2.9
237.07552	4.7
242.08990	0.5
244.06050	92.5
245.06529	1.8
253.08557	0.4
256.06082	0.6
256.10498	0.5
256.26385	3.8
258.07571	1.0
259.04770	1.2
267.09930	0.4
272.05527	100.0
273.06183	7.3
273.11182	0.7
274.07098	12.2
298.07086	3.9
312.08850	0.4
323.07935	0.6
340.16080	0.4
344.15836	0.7
358.17355	1.1
448.25494	0.7
466.14975	80.6
466.32120	8.3
467.15302	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	465.2997
Annotation	Perovskone B
Peak:m/z	Relative Intensity
53.03939	2.4
55.05508	7.3
57.07082	4.0
67.05511	13.0
69.03414	3.4
69.07069	11.9
71.04991	2.9
71.53538	2.2
79.05491	14.3
81.03410	1.8
81.07059	20.9
83.04984	10.9
83.08627	6.8
85.06542	7.2
91.05480	16.1
93.07048	23.7
95.04994	5.1
95.08601	19.9
97.06544	3.6
99.04435	1.8
105.07037	29.6
107.08595	21.1
109.06525	8.2
109.10161	7.1
111.08073	3.8
117.06989	9.0
119.08584	26.7
121.06535	4.4
121.10142	14.1
123.08045	7.9
123.11752	2.3
125.09683	1.5
128.06273	4.9
129.06996	7.7
131.08568	16.4
133.10136	19.4
135.08067	6.5
135.11691	5.4
137.09654	3.1
139.07545	2.4
141.06998	2.6
141.95872	1.4
142.07762	6.6
143.08585	16.1
144.09346	1.9
145.06483	1.8
145.10115	24.6
147.08057	3.6
147.11717	12.7
149.09633	6.7
149.13284	2.2
151.11198	4.0
153.09117	2.4
155.08543	10.1
156.09352	7.6
157.10114	26.9
158.10921	2.4
159.08092	2.9
159.11700	18.2
161.09634	4.8
161.13286	6.4
163.11203	4.8
165.12720	2.8
167.08597	3.9
168.09363	3.0
169.10129	17.3
170.10970	4.2
171.11711	20.3
173.09584	3.8
173.13246	12.8
175.11217	4.8
177.09235	2.9
177.12737	2.1
179.08577	3.4
179.10771	3.9
180.09335	3.6
181.10104	9.2
182.10924	3.8
183.11725	15.5
185.09659	2.6
185.13246	16.6
187.11168	3.9
187.14857	6.5
189.12753	4.1
191.10620	1.9
193.10179	6.6
193.12119	2.8
194.10982	3.9
195.11765	15.8
196.12491	4.9
197.13274	16.6
199.11214	4.1
199.14767	8.9
200.10728	2.7
201.12805	3.2
201.16489	1.6
203.10771	2.2
203.14343	2.3
205.12276	5.3
206.10898	3.1
207.11710	8.9
208.12534	3.1
209.13283	15.2
210.14066	3.3
211.11411	2.0
211.14873	15.1
213.12791	4.8
213.16370	3.8
215.10814	2.7
215.14320	3.8
217.12190	2.1
219.11723	4.5
219.13770	3.4
220.12477	2.6
221.13310	13.1
222.14137	2.1
223.14825	12.0
225.16454	5.5
227.14287	4.1
229.12254	2.1
229.15750	2.3
231.11717	4.1
231.13907	6.7
232.12488	1.9
233.13307	4.2
233.15479	4.5
235.14882	10.5
237.12785	2.0
237.16417	6.7
239.14388	3.8
239.18018	3.0
241.15974	4.0
243.13808	3.1
245.15504	5.5
246.14130	1.9
247.14912	5.0
248.15445	1.9
249.16466	5.6
251.17989	3.0
253.15845	2.9
255.13937	3.0
257.15408	5.3
261.16452	6.1
263.14484	1.5
263.17889	8.0
265.19565	6.8
266.20084	2.2
267.13834	1.8
267.17377	2.2
269.15570	4.4
269.19006	3.5
271.17026	3.4
275.18002	4.3
277.19492	4.0
279.17578	2.7
279.20749	2.5
281.19211	2.0
283.17047	4.2
285.18628	4.7
287.17816	1.8
289.19449	2.9
297.18509	2.6
299.20163	2.0
303.04855	2.0
303.21179	3.8
305.19006	2.4
305.22598	3.2
307.17108	2.2
307.20233	3.9
309.18420	2.8
311.20142	2.2
315.20782	2.1
317.22418	1.9
321.18491	2.7
321.21906	2.5
323.20135	6.7
325.21683	19.1
333.18484	1.9
333.22141	3.1
335.20074	1.9
337.21671	2.9
342.15051	1.6
343.15448	2.0
347.20020	2.0
347.23846	2.2
349.21674	5.4
351.23254	3.9
363.23248	7.0
365.24786	5.9
375.23230	5.8
377.24902	3.5
379.26459	3.9
381.24469	1.8
387.27014	4.2
391.22852	2.6
393.24219	10.3
394.25116	2.6
401.28616	2.5
403.26321	2.8
405.28293	10.7
419.29364	9.1
423.25015	3.6
429.27951	4.7
447.18268	2.2
447.29117	26.1
465.30057	100.0
466.30511	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2998
Annotation	Macrophyllidimer B
Peak:m/z	Relative Intensity
52.33132	1.9
53.03934	3.8
55.05511	14.5
55.24681	2.0
57.07073	3.8
64.15247	2.1
65.03934	3.5
67.05506	25.6
69.03426	10.0
69.07072	17.1
70.96720	5.3
70.97070	2.8
71.04997	11.5
72.08187	2.5
73.06561	2.1
79.05495	21.8
81.03413	3.3
81.07058	30.4
82.28580	1.8
83.04976	10.5
83.08630	10.1
85.02920	6.0
85.06553	7.2
91.05488	24.7
93.07049	34.9
95.04963	25.0
95.08609	26.0
95.96207	2.2
97.02915	2.3
97.06537	7.9
105.07037	30.7
107.04967	9.1
107.08602	31.2
109.02831	3.0
109.06544	11.0
109.10152	11.4
111.08089	9.3
115.05470	3.4
117.07025	7.6
119.08595	30.3
121.06496	3.5
121.10160	21.0
123.08101	8.5
123.11708	5.6
125.05994	4.5
125.09698	2.8
127.07603	3.0
128.06305	2.5
129.07016	7.7
130.07800	3.0
131.08569	26.3
133.06433	2.9
133.10121	29.7
135.08102	6.2
135.11662	10.5
137.05988	3.4
137.09525	2.9
137.13246	2.3
139.07512	14.8
141.07025	4.4
142.07805	8.3
143.08566	23.0
145.06529	3.1
145.10124	27.5
147.08086	5.1
147.11719	19.0
149.09677	4.7
149.13278	3.1
151.11221	3.4
153.07028	2.9
155.08563	15.4
156.09361	7.9
157.10146	28.3
158.10916	2.5
159.08083	4.3
159.11702	22.6
161.09656	8.1
161.13286	5.2
163.11209	4.4
165.07126	3.2
165.09045	2.6
167.08589	8.1
168.09404	4.7
169.10143	20.3
170.10919	6.6
171.08040	4.2
171.11693	27.9
173.09671	7.4
173.13263	16.7
175.11259	4.8
175.14845	3.5
177.09126	3.9
177.12788	2.6
179.08568	5.2
179.10646	3.5
180.09285	3.6
181.10168	10.7
181.12210	3.1
182.10944	4.4
183.11687	20.1
185.09689	5.2
185.13257	20.7
187.11151	5.7
187.14818	8.8
189.12782	3.0
191.10585	3.4
192.09436	2.6
193.10124	10.9
193.12170	2.1
194.10974	4.7
195.11729	15.3
196.12473	4.5
197.09795	2.7
197.13289	18.9
199.11188	4.1
199.14845	10.3
201.12852	2.6
201.16371	2.5
203.10808	4.8
205.10243	3.1
205.12192	4.1
206.10982	3.0
207.11739	12.2
208.12515	5.3
209.13297	17.0
211.11272	2.4
211.14859	13.3
213.12819	8.3
213.16435	5.7
215.10759	3.7
215.14375	3.2
217.10149	3.3
217.12222	5.6
219.11789	5.3
219.13895	4.0
221.13312	9.4
223.11432	2.3
223.14873	13.5
225.12816	5.3
225.16428	7.4
227.17924	2.9
229.12250	2.8
231.11784	3.5
231.13860	6.6
232.12445	3.8
233.13300	5.0
233.15462	5.8
234.13939	3.4
235.14828	11.4
236.15611	3.3
237.12857	2.3
237.16434	8.1
238.16949	2.6
239.14417	3.5
239.18074	5.8
241.15793	2.5
244.06079	3.1
245.15413	6.0
246.14073	3.1
247.14809	3.8
249.16432	7.8
250.17142	2.7
251.18045	4.9
255.13962	3.7
257.15485	5.0
258.14145	2.5
259.17117	4.6
261.16568	2.8
263.17966	6.8
265.16052	5.3
265.19565	5.8
267.13708	2.9
269.15585	3.7
272.05597	4.4
277.16104	2.5
277.19305	2.4
281.15445	4.8
281.22736	2.9
285.18616	4.3
289.16315	2.5
289.19449	3.1
291.17682	3.6
303.04922	4.5
305.19287	2.5
307.20590	3.9
309.18643	3.2
323.20154	4.5
325.21558	11.8
327.23343	3.5
333.22171	8.0
335.20029	4.5
337.21606	5.8
347.23615	7.2
349.21545	2.8
349.25281	2.5
351.23264	8.9
363.23349	5.4
363.93353	2.8
365.24875	6.2
375.23166	4.7
377.24564	4.6
379.26367	10.9
393.24350	9.9
396.69852	2.2
405.27975	22.2
409.23627	3.0
419.29434	13.3
421.30984	2.9
423.25320	3.2
429.28036	6.0
437.30383	5.4
447.28934	25.9
465.19000	4.1
465.30014	100.0
466.30157	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	465.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35939	2.4
54.48375	2.7
55.05497	10.9
57.07060	6.5
59.04998	3.0
60.39770	2.8
62.34110	2.2
64.50043	2.5
64.93245	2.8
65.03942	11.1
66.65105	2.3
67.05504	48.5
69.07067	8.9
71.04979	4.0
79.05492	6.1
81.07045	9.5
84.37602	2.3
85.06536	18.4
91.05484	7.9
93.07045	14.6
95.04939	2.8
95.08606	6.4
98.20716	4.7
105.07034	5.7
107.08607	4.7
109.10166	14.0
111.11705	2.6
117.07011	7.1
119.04945	4.5
119.08611	5.4
121.10113	3.5
129.06996	7.4
133.10133	4.9
135.11713	8.4
141.07103	2.7
142.07799	3.8
145.06512	8.6
145.10152	3.3
147.04445	7.2
154.07848	2.7
155.08601	4.8
157.06491	6.5
159.04405	20.7
159.11687	5.9
161.05942	3.1
165.06989	5.6
167.08551	4.0
169.10138	3.1
171.08092	4.6
173.06012	25.3
175.03946	8.4
178.07823	4.8
179.08560	8.4
181.10132	3.9
183.07993	4.5
185.05972	13.8
187.03912	25.5
187.07570	5.2
189.05519	4.6
195.08009	16.9
197.09668	5.6
198.06789	3.5
199.03987	15.5
199.07520	5.5
201.05466	100.0
201.09331	3.0
202.06081	3.5
203.07031	5.7
205.05045	5.1
208.08859	3.3
209.09602	6.6
211.07576	8.8
211.11166	4.1
213.05452	26.3
213.09174	9.7
215.07085	11.9
221.09616	5.8
223.07536	25.5
224.08270	4.6
225.09048	30.2
226.06187	7.6
227.06949	7.7
227.10664	5.6
229.08569	5.7
235.11284	3.6
237.09190	9.0
239.07076	4.3
239.10715	8.7
240.07925	3.0
241.08583	44.3
243.10204	13.0
249.09174	4.7
251.10530	3.6
252.07916	8.6
253.08636	33.0
254.09514	6.5
255.10146	33.5
257.11783	6.0
259.09631	46.9
263.10690	3.3
265.08664	16.1
266.09265	3.7
267.10187	31.8
269.11832	9.5
273.11185	63.2
273.14001	4.3
276.11517	6.9
277.08664	2.7
277.12393	3.8
279.10150	4.5
279.13797	3.3
281.08035	2.6
281.11844	4.4
281.15350	6.1
283.13208	3.3
285.11218	5.8
287.12820	4.0
291.13852	10.3
295.13400	4.2
307.13348	12.1
309.14828	16.2
310.12015	6.3
319.13306	11.0
321.14920	19.6
325.14331	59.7
333.14902	3.4
337.14407	7.3
339.15875	50.1
343.15399	42.7
353.17352	4.7
357.16949	78.5
363.19562	11.6
363.26813	5.3
371.18494	5.6
373.17990	3.0
377.21152	4.5
379.19125	4.3
381.20602	18.1
391.19055	38.8
393.20618	4.9
409.20099	44.3
429.24112	6.4
447.25211	50.0
465.26392	85.3
465.32971	3.0
466.26489	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01881	3.5
55.05520	11.7
55.05731	2.2
57.07057	7.9
59.04996	3.5
65.03940	11.7
67.05505	64.4
69.07078	13.3
71.04992	6.1
71.42745	3.8
79.05486	11.9
81.07062	15.2
85.06556	18.8
91.05456	12.7
93.07037	25.1
94.07409	2.6
95.04961	3.2
95.08598	12.1
96.60458	2.2
105.07021	9.3
107.08579	19.0
109.06512	2.6
109.10160	22.3
115.05452	4.5
117.07008	9.0
119.04932	5.9
119.08572	10.1
119.69027	2.3
121.10144	8.2
128.06194	2.7
129.06985	7.5
131.08543	3.1
133.10120	9.4
135.11697	19.3
141.06989	5.4
143.08522	7.5
144.05684	2.4
145.06471	6.0
145.10103	5.2
147.04410	9.2
154.07751	5.6
155.08553	4.1
157.06474	6.0
159.04387	19.4
159.11650	9.4
161.13243	5.6
165.07072	3.4
165.08990	2.5
166.07782	4.2
167.08571	5.2
169.06488	2.7
169.10193	5.8
169.11671	2.3
169.28732	2.4
171.08061	5.1
173.06009	23.9
173.09645	3.7
173.13246	2.7
175.03897	9.6
175.11073	2.6
177.12808	2.6
178.07782	3.3
179.08624	5.1
181.10106	6.0
182.07324	2.4
183.11726	3.7
184.05235	2.6
185.05971	12.7
185.09612	3.4
187.03903	19.7
187.07544	4.7
187.11185	4.1
189.05460	6.1
189.09140	4.8
193.10204	4.1
195.08061	24.9
197.09608	7.5
198.06767	6.2
199.03915	16.7
199.07549	7.7
200.10764	4.8
201.05470	100.0
202.06010	2.5
203.07050	6.3
205.04973	6.7
209.09563	8.5
211.07539	7.4
211.11099	4.5
212.08284	4.4
213.05463	26.3
213.09033	12.9
215.07011	13.0
221.09656	5.4
223.07513	25.1
223.11166	2.6
224.08276	4.6
225.05544	6.2
225.09084	33.7
226.06250	8.1
226.09607	3.4
227.07022	9.4
227.10634	4.8
229.08629	7.0
231.10059	3.2
235.11168	2.8
237.09132	12.3
239.07040	3.8
239.10683	13.1
240.07652	3.4
241.08574	42.9
241.12248	3.1
243.10193	13.2
252.07909	6.2
253.08597	36.2
253.12274	5.4
254.09297	6.7
255.10159	40.0
255.13057	3.3
255.13809	3.1
257.11597	12.6
259.09656	40.7
263.14178	2.8
265.08560	9.6
265.12280	2.9
266.09323	5.9
267.10144	33.2
269.11728	14.9
269.14771	2.6
273.11209	71.5
273.14713	7.7
275.14352	3.2
276.11520	8.5
277.08582	4.2
277.12143	3.2
279.10110	3.4
279.14001	4.2
280.10672	2.7
281.08539	4.0
281.11774	7.9
281.15375	6.9
285.11234	5.1
287.12817	6.0
291.13797	9.1
293.15500	3.5
295.13348	5.8
304.11145	3.2
307.13461	12.1
309.14844	15.6
310.12051	4.7
310.15454	3.0
311.13068	2.8
313.14206	3.2
319.13373	13.1
321.14865	16.3
324.13727	4.7
325.14334	62.4
325.18182	3.1
333.14474	3.8
337.14389	10.7
339.15921	56.5
343.15393	40.8
349.18011	3.1
353.17523	6.5
357.16959	88.0
358.17032	3.6
363.19629	10.3
363.26874	7.3
367.18973	3.6
371.18561	5.9
377.20999	4.3
379.19080	2.9
381.20605	15.8
385.20099	6.1
391.18951	41.4
393.20639	5.9
409.20157	48.5
419.25769	5.8
423.21487	2.8
429.24307	7.7
447.25217	56.1
465.19742	3.7
465.26337	98.3
465.33240	6.5
466.26764	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	465.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
54.06518	1.1
55.01872	11.6
55.05510	18.3
57.03448	6.4
57.07075	8.3
59.99539	0.8
61.75748	1.0
67.05500	7.0
69.07069	23.3
70.72023	2.2
71.08615	4.6
73.02917	6.4
79.05477	4.2
81.07053	7.9
83.08159	1.4
83.08620	20.3
83.95932	1.1
85.10171	1.9
91.05468	1.2
93.07043	5.1
95.08592	5.2
97.06509	2.4
97.10172	13.5
98.98465	45.5
107.08557	3.7
107.87803	1.1
109.10165	2.7
111.08064	1.7
111.11700	3.7
121.10169	6.3
123.11664	1.6
127.91741	1.0
129.05492	2.8
135.11722	4.7
135.84570	1.1
136.99989	3.2
155.01045	37.7
156.89339	1.1
163.14812	1.1
211.03682	1.3
219.21077	2.3
229.04718	2.6
237.22208	7.6
309.14929	1.2
311.25797	100.0
312.26282	5.6
320.20496	1.0
409.84485	1.0
447.25055	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	465.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01866	3.5
55.05260	2.2
55.05503	15.5
57.07084	12.5
57.07302	2.6
59.04984	3.5
65.03934	7.7
65.85962	2.6
67.05176	4.1
67.05502	49.2
68.57822	2.4
69.03432	3.0
69.07068	12.5
71.04980	3.3
72.90066	2.8
79.05473	11.6
81.07047	11.4
83.08600	3.3
85.06538	20.8
91.05495	13.4
93.07039	33.9
95.04949	3.1
95.08608	14.8
105.07024	11.6
106.92411	2.7
107.04962	2.8
107.08602	13.1
107.72963	2.4
109.06489	2.9
109.10153	17.3
115.05419	4.0
117.07027	9.4
119.04943	8.0
119.08573	12.9
121.10146	10.3
123.08122	3.2
123.11694	3.3
129.06998	9.5
131.04918	3.1
131.08565	7.7
133.06516	3.4
133.10130	11.2
135.04425	2.6
135.11696	16.2
137.09558	2.4
141.06979	3.5
143.08542	7.3
145.06522	5.9
145.10109	7.9
147.04414	9.4
147.08043	4.2
153.06970	2.3
155.08542	5.5
157.06461	4.3
157.10115	6.1
159.04395	17.6
159.08038	3.2
159.11673	9.8
161.05948	4.2
161.09654	3.5
165.06938	4.2
166.07762	3.7
169.10207	3.6
171.08047	2.9
173.05966	18.2
173.09619	4.1
173.13216	4.6
175.03883	14.4
175.11197	3.5
179.08546	3.4
181.10175	5.3
183.11693	3.0
185.06012	14.4
185.09659	4.2
187.03918	24.2
187.07524	7.3
187.11249	3.2
189.05437	9.0
189.09149	4.7
191.08647	2.9
195.08057	18.0
195.11749	4.2
197.09616	7.2
198.06752	5.3
199.03850	15.8
199.07507	6.6
201.05461	83.9
202.05978	4.8
203.06958	4.3
205.05003	7.5
208.08824	2.8
209.09622	8.2
211.07597	7.8
211.11157	5.2
213.05421	19.5
213.09163	10.7
215.07076	11.3
223.07491	23.0
223.11195	4.6
225.05554	4.5
225.09079	27.4
226.06229	4.3
227.07066	9.6
227.14264	4.0
229.08629	7.8
231.10109	5.6
233.04370	3.2
234.10463	3.1
237.09109	8.5
239.06915	6.4
239.10771	8.3
241.08607	38.1
243.10153	10.4
249.09009	3.6
251.10643	4.0
252.07727	3.5
253.08612	32.6
255.10136	29.7
257.11789	13.7
259.09625	40.7
263.14261	3.0
265.08786	12.5
265.11978	2.8
266.09393	4.3
266.12793	3.4
267.10141	25.8
269.11734	10.8
271.09760	7.1
273.11215	51.5
276.11429	4.6
279.10162	5.0
279.13831	3.6
281.11755	7.0
281.15326	9.5
285.11307	13.5
287.12692	4.0
291.13797	7.4
293.11896	3.4
293.15176	3.1
295.13513	3.6
295.16937	3.0
307.13318	9.2
307.20422	3.2
309.14801	16.3
310.12247	3.5
313.14401	4.5
319.13217	12.1
321.15009	12.2
323.12979	4.0
325.14310	47.3
333.14941	5.6
337.14285	12.0
339.15948	36.0
343.15387	52.8
347.16476	4.6
353.17526	5.7
357.16916	75.1
363.19528	13.5
363.26859	7.9
365.21368	4.9
375.19492	5.8
377.21024	5.5
379.19095	4.3
381.20624	14.6
391.19067	24.5
393.20563	29.6
409.20056	46.4
416.09888	2.8
429.24301	6.7
447.25256	40.9
465.26364	100.0
465.33237	6.3
466.26959	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45126	1.7
50.92824	1.8
53.03942	5.7
55.01861	7.7
55.05505	6.5
57.03426	7.6
58.66048	2.1
61.02927	10.2
64.09699	1.9
64.27274	2.0
64.64449	1.9
65.03905	2.1
67.05504	14.4
67.10687	1.7
68.99819	2.0
69.03430	28.8
69.07065	10.1
69.31174	18.8
69.31503	1.8
70.06594	29.6
71.04984	8.4
72.08169	9.1
73.02927	4.3
73.08476	1.7
74.06062	2.2
79.05482	11.3
81.03416	19.6
81.07054	28.8
83.04983	4.3
83.08614	3.6
84.04515	3.7
84.08141	6.4
85.02907	66.6
85.06538	4.1
86.06099	2.0
86.09708	29.5
91.03973	3.8
91.05476	14.4
93.07044	15.4
95.04972	6.8
95.08602	18.4
96.04492	3.3
97.02885	26.6
97.06538	6.4
98.06052	4.0
98.20787	4.5
99.04447	16.4
100.04787	3.4
105.03387	4.3
105.07023	11.9
107.04955	8.9
107.08583	11.8
108.05740	3.6
109.02854	15.3
109.06522	6.0
109.10159	20.4
110.07169	14.8
111.04441	2.6
111.08161	2.3
112.07597	6.6
113.07937	1.9
114.05498	2.0
115.05448	3.2
115.51879	1.9
116.07049	2.9
117.07020	4.6
119.04955	4.9
119.08569	8.1
120.08095	15.3
121.02878	6.5
121.06507	7.1
121.10123	24.0
122.06097	2.2
123.04433	8.3
123.08038	2.2
123.11686	10.1
125.09627	2.2
127.03905	23.2
128.06158	2.0
129.06989	4.9
129.10226	2.8
131.04935	7.6
131.08554	7.9
133.06502	4.8
133.10114	7.7
135.04414	29.0
135.11769	4.0
136.05191	6.5
136.07611	4.5
137.02316	4.2
140.07071	4.2
141.06952	2.2
142.07799	2.9
143.08531	7.1
143.11815	3.0
144.59921	2.2
145.02795	2.0
145.04944	12.6
145.06485	6.4
145.10132	6.9
146.05977	2.7
147.04405	6.0
147.11711	4.5
149.02385	3.3
149.06006	2.6
149.09593	4.0
151.03894	2.3
153.01808	4.7
155.08546	9.7
157.06470	8.8
157.10124	8.4
159.08035	4.4
159.11694	4.9
161.05966	5.0
162.05556	3.2
163.03871	2.2
165.05501	24.6
165.06839	2.8
165.12732	4.1
169.06490	3.3
169.10153	4.2
171.08049	8.3
171.11546	3.4
173.09663	4.6
173.13203	3.7
177.05450	5.1
177.09181	2.8
179.07013	2.8
179.08511	3.1
181.04947	67.7
181.06517	4.7
181.12276	5.1
182.12570	3.1
183.08078	13.4
183.13799	2.4
184.05954	2.4
184.07358	8.9
185.09624	6.6
185.13315	2.7
187.07600	2.9
189.09012	2.6
191.06918	2.8
195.06580	3.0
195.08258	2.2
196.11130	4.5
197.09630	15.0
197.11290	3.4
197.13254	4.6
199.07381	4.3
199.11058	8.0
199.14777	3.8
201.05453	3.2
201.09154	3.0
203.07076	3.0
205.08569	3.3
209.09732	2.1
211.07637	3.9
211.11179	4.8
211.14857	2.8
214.08792	2.1
215.10750	1.9
217.08675	3.4
218.08203	3.0
219.06573	5.4
221.13319	3.5
225.09088	4.9
229.05176	3.8
229.08539	19.4
231.05270	2.1
235.11861	11.5
239.14270	30.0
243.10156	4.4
247.09685	6.8
249.12842	3.4
257.04355	2.6
257.12686	2.2
257.15399	3.1
267.13565	10.6
285.11929	3.6
285.14838	35.8
289.05746	13.8
302.06699	2.4
303.04932	100.0
303.15961	8.7
304.05206	5.8
304.08221	22.2
366.79846	2.1
399.07660	2.1
429.24890	2.6
447.25854	8.8
465.12909	3.2
465.18994	2.1
465.27316	19.7
466.20529	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	465.1028
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03943	0.1
55.01860	0.2
56.05026	0.1
57.03418	0.1
57.40401	0.1
60.04504	0.1
61.02893	0.1
65.03934	0.3
67.01849	0.1
67.05495	0.2
68.99438	0.1
68.99789	0.9
69.03430	0.3
69.40186	0.1
70.06596	0.4
70.92902	0.1
70.93246	0.1
71.01359	0.1
71.04993	0.1
72.08145	0.1
78.02676	0.1
79.05453	0.1
81.03412	0.5
81.07043	0.1
84.04484	0.1
84.08124	0.2
85.02522	0.1
85.02910	0.6
86.03211	0.1
86.09695	0.1
91.05444	0.1
93.03429	0.4
95.04961	0.4
97.02897	0.2
101.06024	0.1
105.03385	0.3
105.07047	0.1
106.03711	0.1
107.04927	0.1
109.02871	0.6
111.00806	1.1
117.07004	0.1
119.04889	0.1
120.08083	0.2
121.02869	1.2
121.06538	0.1
121.10114	0.1
123.04440	0.4
127.03922	0.5
128.06190	0.1
128.07083	0.2
129.10231	0.1
131.04909	0.1
135.04405	0.3
135.13283	0.1
136.07562	0.1
137.02341	3.9
137.03352	0.1
137.05911	0.1
138.09143	0.2
145.02844	0.2
145.04950	0.1
145.06491	0.3
147.04453	0.1
149.02344	0.6
149.06035	0.1
151.03931	0.1
153.01826	5.1
153.46742	0.1
154.02188	0.1
155.04887	0.3
157.06511	0.1
159.04315	0.1
161.06010	0.4
163.03905	0.7
165.01836	2.5
166.02626	0.3
166.08606	0.1
171.02950	0.1
173.05972	0.7
177.01807	0.1
177.05576	0.1
179.03358	0.2
181.08537	0.1
182.08974	0.1
183.02885	1.1
183.04417	0.4
186.48219	0.1
187.03931	0.5
189.05717	0.1
191.03394	0.2
191.07094	0.1
192.06557	0.1
195.02895	0.3
199.09630	0.1
200.04665	0.1
200.80814	0.1
201.05473	2.3
205.04993	0.2
207.02892	0.1
211.03947	0.2
213.05493	0.1
215.03381	0.1
217.05124	0.1
219.02945	0.2
219.06532	0.4
228.04129	0.3
229.04962	5.7
230.05324	0.2
232.03825	0.1
233.04478	0.1
239.03407	0.2
246.05302	0.1
247.05998	0.9
257.04440	3.6
258.05005	0.1
261.03885	0.1
267.02884	0.1
268.09125	0.1
274.04764	0.9
274.12921	0.1
275.05450	0.3
285.03943	1.5
286.04611	0.1
302.04132	0.1
303.04977	100.0
304.05307	2.3
315.04782	0.1
345.05759	0.1
437.19363	0.1
465.10233	0.6
465.19193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03952	0.5
55.01871	0.8
57.03437	1.0
61.02923	1.7
65.03932	0.3
67.01878	0.1
67.05489	0.3
68.99783	0.8
69.03429	3.5
70.06574	0.4
70.23724	0.4
71.05006	0.5
73.02906	0.4
75.55968	0.1
78.06759	0.1
79.05479	0.2
81.03412	2.2
81.07060	0.2
83.01330	0.2
83.04968	0.1
85.02903	10.3
86.09705	0.3
87.04468	0.4
91.03950	0.5
91.05475	0.2
93.03391	0.4
95.04954	0.3
95.08604	0.2
97.02888	3.4
97.06506	0.1
98.21425	0.1
98.36443	0.1
99.04446	0.8
104.58124	0.1
105.07027	0.2
105.52557	0.1
107.04976	0.1
109.02883	1.4
110.03672	0.2
111.00764	0.9
112.84989	0.1
120.08067	0.5
121.02870	1.1
121.10106	0.2
122.89047	0.1
123.04402	0.3
127.03917	2.4
129.06953	0.1
130.06531	0.1
131.04921	0.2
133.10146	0.1
135.04424	0.2
137.02328	4.2
145.04945	1.6
145.06456	0.3
148.07605	0.1
149.02367	0.6
149.05992	0.1
153.01825	4.6
155.04906	0.2
156.25639	0.1
159.04324	0.1
161.05922	0.3
163.03912	0.8
165.01833	2.3
166.02554	0.3
173.06013	0.5
177.05418	0.1
179.03331	0.2
183.02893	1.2
183.04420	0.3
187.03883	0.5
191.03409	0.2
195.02831	0.2
201.05473	2.2
205.04948	0.3
207.02939	0.2
211.03918	0.2
215.03300	0.1
219.02913	0.1
219.06560	0.3
228.04271	0.3
229.04956	5.2
239.03482	0.2
247.06010	0.9
257.04428	3.2
267.19580	0.1
274.04694	0.9
275.05399	0.3
285.03967	1.5
285.14200	0.2
303.04971	100.0
304.05334	2.5
304.08691	0.2
315.04947	0.4
327.04819	0.1
334.48630	0.1
345.05994	0.3
388.13467	0.1
465.09900	0.2
465.25919	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	465.1023
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.58137	0.2
53.03929	0.7
54.71899	0.2
55.01863	0.8
55.05508	0.5
56.05033	0.2
56.43253	0.2
57.03423	0.6
61.02921	1.4
65.03909	0.3
68.75214	0.2
68.99783	0.8
69.03427	3.5
69.77145	1.0
70.06565	0.7
71.04983	0.5
72.08127	0.4
73.02911	0.4
79.05482	0.4
81.03416	1.6
81.07047	0.3
83.08604	0.3
84.08159	0.3
85.02902	8.6
86.09684	0.9
87.04440	0.3
91.03952	0.4
91.05449	0.3
93.03404	0.5
95.04958	0.4
97.02883	2.8
97.06551	0.2
99.04440	0.6
100.11255	0.4
105.03428	0.2
105.07016	0.3
105.91928	0.3
109.02364	0.2
109.02882	1.9
110.07166	0.8
111.00800	1.0
111.04439	0.2
112.07575	0.2
120.08092	0.6
121.02853	0.9
121.10146	0.2
123.04401	0.5
127.03916	1.9
131.04869	0.4
137.02324	3.2
143.08481	0.2
145.04962	1.6
149.02295	0.7
153.01836	4.6
155.04898	0.3
161.06062	0.2
163.03911	0.6
165.01830	2.0
166.02690	0.4
173.05952	0.7
182.15363	0.5
183.02875	1.0
183.04408	0.5
187.03835	0.3
191.03430	0.3
195.02859	0.3
201.05449	2.3
201.18085	0.2
205.05022	0.3
210.14900	0.5
219.06577	0.4
220.14977	0.3
228.04198	0.2
229.04964	5.5
229.15549	0.4
235.11938	0.6
238.15970	1.3
238.66095	0.8
247.06061	0.8
257.04428	3.0
274.04721	0.8
285.03909	1.9
303.04974	100.0
304.05255	1.7
337.21344	0.3
382.34430	0.3
447.25989	0.4
465.10965	0.3
465.26535	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.8
60.04526	0.5
67.05489	1.2
69.07058	0.6
70.06593	62.8
70.68845	1.5
71.06882	0.5
72.08161	0.5
79.05499	1.4
81.03420	1.5
81.07069	2.0
84.08150	1.1
85.02901	0.9
86.09724	0.8
91.05485	1.4
93.07049	1.3
93.64958	0.5
95.04951	1.0
95.08610	1.2
97.06509	0.5
103.72282	0.5
105.07025	1.4
105.61663	0.5
107.04978	0.6
107.08585	0.9
109.02905	0.8
109.10152	1.2
116.07094	100.0
117.07472	0.7
119.04911	0.6
119.08595	0.6
120.08116	0.5
121.02872	1.4
121.10149	1.0
122.02712	0.5
127.03954	0.8
136.06168	1.1
137.06004	0.9
143.08598	0.5
145.10141	0.7
151.07532	1.8
154.08687	0.6
157.10092	0.5
175.03915	0.7
181.05028	0.5
181.06490	1.5
181.12248	1.3
198.09140	0.5
260.05368	1.0
302.06766	2.4
303.04846	0.6
464.11578	0.8
466.00214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33826	0.6
53.03937	1.6
55.01855	1.5
55.05495	1.7
55.53690	0.8
57.03420	2.9
57.03680	0.8
60.83121	0.8
61.02909	2.5
67.05489	1.8
69.03428	8.2
69.07050	1.0
70.06573	2.1
70.15987	0.6
70.98388	0.7
71.52392	1.2
72.08133	0.8
73.02917	1.9
79.05463	0.7
81.03416	5.1
81.07048	2.3
83.04966	2.7
83.08614	0.8
85.02901	20.6
86.06044	0.7
86.09692	1.0
87.04454	3.1
88.99107	0.6
91.05476	1.1
93.07023	1.5
94.07278	0.7
95.04948	0.7
95.08550	0.9
97.02878	6.6
99.04408	2.4
99.08073	0.8
100.11237	2.9
100.17912	0.7
105.03388	1.0
105.07029	1.4
107.08560	1.6
109.02876	4.4
109.10179	1.1
121.10179	1.1
127.03909	4.9
130.06519	2.7
142.06523	5.6
143.07306	1.0
144.08084	1.4
145.04922	2.1
147.04399	1.2
147.08064	0.8
156.08063	3.0
157.05222	1.3
160.07596	1.6
167.07277	1.3
168.08070	3.2
169.08789	1.0
170.06021	3.3
173.02310	1.0
180.08113	1.9
181.08867	23.7
181.10471	1.3
182.09619	3.8
182.15340	0.9
183.10391	2.2
184.07530	1.1
184.11201	7.7
186.09093	1.8
194.09650	6.4
195.10257	3.6
196.11221	26.1
197.11644	1.6
201.11430	3.5
202.02727	0.9
202.12233	2.6
203.03307	0.8
208.11139	1.6
209.08315	2.3
210.12808	4.2
210.14609	1.1
211.13480	1.1
212.10706	12.6
214.12259	51.3
215.12602	1.4
222.12917	1.0
224.10724	10.0
226.04953	1.6
226.12183	1.0
227.13120	3.9
228.13762	2.4
230.11734	3.0
233.11946	0.7
236.14410	0.8
238.15891	6.3
240.13799	0.8
241.07335	13.8
242.11758	43.8
243.06538	1.8
250.12259	1.0
251.12967	2.1
253.75870	0.7
254.15396	1.1
256.16986	11.0
258.07532	1.1
260.05304	0.8
266.15393	12.6
269.06845	14.4
270.07339	1.1
272.05450	2.3
281.51239	0.7
284.16431	100.0
285.07574	2.1
285.16821	3.8
287.07904	21.9
287.11212	1.3
288.05130	1.0
302.07141	3.6
302.10233	56.9
302.17484	77.3
303.10580	2.3
303.17703	1.3
326.17581	1.9
342.74176	0.9
344.18530	2.1
376.17572	6.0
389.18240	1.5
390.18356	4.0
400.80151	1.5
404.17020	7.6
416.20450	0.9
428.20593	2.8
446.21799	9.9
455.32922	1.0
464.15494	17.0
464.22601	8.6
464.32840	6.7
464.83002	3.8
488.25562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
53.90086	1.3
55.05505	5.3
57.07072	2.7
57.27521	1.3
67.05496	2.7
69.03415	4.6
69.07066	2.6
69.41698	12.0
69.60094	1.3
70.06570	3.8
79.05497	2.2
81.03416	3.3
81.07058	4.2
83.04972	4.4
85.02879	5.3
85.06551	3.4
86.09663	1.8
87.00813	3.0
91.05489	4.9
93.07040	5.7
95.04964	1.7
95.08607	6.6
97.02889	5.1
105.01854	3.1
105.07026	4.3
107.04974	2.0
107.08576	8.2
109.02869	5.8
109.06511	2.0
109.10140	3.0
111.04445	31.5
116.07108	2.2
119.08558	2.9
121.06496	2.6
121.10136	2.2
125.05983	11.8
127.03899	4.7
135.08081	7.9
135.11682	9.9
136.06152	1.9
139.07547	1.6
145.10136	8.5
153.12708	2.5
163.11153	9.0
181.12238	100.0
182.12601	3.1
184.07158	1.4
190.91170	1.3
199.13255	9.1
209.84499	1.5
217.08553	2.4
224.33632	1.6
226.12190	2.1
258.35736	1.5
260.05472	1.5
266.15433	2.3
302.06863	3.3
385.26608	1.5
420.30151	1.5
446.22214	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	464.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
54.64774	0.5
55.01873	3.3
55.05504	0.7
57.03423	2.5
60.04507	1.5
61.02918	1.8
65.03943	0.7
67.05477	0.6
68.99789	1.9
69.03426	11.4
70.06596	6.8
70.66796	0.5
71.04974	2.9
71.52448	0.6
71.52877	0.8
72.04510	1.2
72.08141	2.1
73.02912	2.8
74.06077	0.5
79.05496	4.0
81.03413	14.0
82.06545	0.7
83.04958	0.7
84.04461	1.2
84.08150	2.7
85.02903	29.0
86.09718	2.6
87.00826	8.7
91.03992	0.6
91.05478	4.7
93.07034	4.7
95.04966	3.5
97.02288	1.0
97.02886	12.4
98.06043	0.7
98.47326	0.5
99.04441	4.9
103.05470	3.0
105.01891	5.7
105.03386	44.1
105.06992	1.0
107.04916	1.2
107.08581	1.0
108.04465	2.6
109.02876	13.0
111.00810	0.9
111.04439	1.0
115.08688	0.6
116.07081	0.7
117.01873	1.2
117.06974	0.6
119.04939	1.1
120.05715	1.1
120.08118	1.2
121.02844	2.1
121.06505	7.2
123.04426	7.5
124.07622	0.6
126.05521	2.3
127.03913	19.2
128.06384	0.5
128.07111	4.7
128.96658	0.6
129.01857	1.2
129.10217	1.2
131.04883	1.3
131.08607	0.6
135.04419	0.6
135.08051	2.0
136.07648	1.1
137.02324	4.5
137.05960	0.7
138.09142	1.3
145.04979	6.7
145.06436	1.7
147.04416	1.2
148.05217	0.7
149.02341	0.9
149.05968	1.5
151.03906	0.7
153.01820	4.3
153.05432	0.8
154.05000	1.2
159.02872	3.4
159.08014	0.8
161.06020	1.1
163.03908	0.9
165.01834	2.1
165.05412	0.6
166.06258	4.3
166.08626	2.1
167.07036	1.5
173.05997	1.3
177.05397	1.2
179.07016	0.8
181.08583	46.5
183.02898	0.6
187.07500	1.0
189.09116	1.6
191.07002	1.5
195.10121	3.2
199.09639	28.1
201.05446	1.8
201.09006	0.6
205.08672	0.6
209.08070	1.5
215.06898	0.8
219.10123	1.2
223.09647	12.0
229.04968	5.0
229.08646	0.7
231.04836	1.2
247.05989	1.1
247.09729	1.8
248.07689	1.2
249.07610	9.5
249.11414	0.7
257.04401	3.5
261.11118	1.9
265.10614	3.3
267.08603	13.9
274.04581	1.3
285.03949	1.3
289.10696	6.7
293.11240	1.1
302.04028	1.7
302.06979	1.0
302.17371	0.7
303.04977	100.0
307.11685	7.9
310.12659	0.7
347.46356	0.6
393.11581	0.6
464.19669	1.1
464.25900	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68935	0.1
60.58843	0.1
61.39153	0.1
62.23721	0.1
67.05515	0.2
69.96527	0.6
70.06574	0.2
79.05482	0.2
81.03374	0.1
81.07034	0.2
85.02884	0.3
91.73908	0.1
93.07021	0.3
95.08556	0.2
97.02852	0.2
105.07036	0.2
107.04922	0.1
107.07418	0.1
107.08559	0.3
109.02850	0.1
117.70457	0.2
127.03850	0.2
170.05907	0.2
182.72931	0.1
184.07491	0.2
185.08360	0.3
187.06253	0.2
198.05525	1.5
212.07048	0.6
213.07791	1.1
214.08511	0.1
226.04974	2.5
226.08519	0.2
227.05595	0.2
239.05768	0.3
240.06543	0.6
241.07335	26.1
242.04553	0.4
242.07777	1.0
243.05264	0.3
244.06038	1.3
257.03427	0.2
257.06842	0.4
258.07660	1.1
265.75024	0.2
268.06366	0.1
269.06818	25.7
270.07355	0.9
272.05533	3.8
284.09277	0.2
286.07025	1.6
287.07864	38.5
288.08255	1.2
302.10211	100.0
303.10550	3.2
329.08929	0.1
370.05692	0.2
464.15521	27.5
465.15811	1.4
474.56296	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	464.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
54.15588	0.5
54.18727	0.5
55.01874	3.2
56.05025	0.7
57.03428	1.8
60.04528	0.7
61.02914	1.6
67.05486	0.8
68.05007	0.5
68.99780	2.0
69.03428	8.8
70.06593	5.7
70.97309	1.3
71.04979	1.7
72.04511	0.8
72.08146	2.2
73.02898	2.0
74.06060	0.6
77.03890	0.6
79.05479	2.7
80.04969	0.6
80.46975	0.4
81.03416	11.4
81.07029	0.7
82.06570	0.8
83.04980	0.6
84.04494	1.5
84.08139	2.5
85.02905	23.5
85.06532	0.6
86.09683	1.8
87.00829	6.3
90.74006	0.6
91.05479	4.6
93.03400	0.6
93.07038	3.3
95.04976	3.0
97.02891	8.6
98.20796	0.5
99.04457	4.0
101.07097	0.6
103.05453	1.8
105.01887	4.7
105.03391	32.4
105.07052	0.9
107.05012	0.6
107.08619	1.0
107.50658	0.6
108.04488	1.9
109.02880	9.7
109.06555	0.5
110.07161	1.0
111.00819	1.3
117.01876	0.9
119.04939	0.5
120.08111	0.9
121.02853	2.5
121.06507	5.5
121.10091	0.5
123.04432	6.4
124.07581	0.6
126.05505	0.9
127.03916	15.0
128.07083	4.7
129.01833	0.9
129.10225	1.3
130.08653	0.5
134.24719	0.5
135.04393	0.7
135.08026	1.5
136.07547	0.7
137.02361	3.3
137.05948	0.5
138.06758	0.7
141.06897	0.5
143.41957	0.5
145.04951	5.7
145.06497	1.0
145.10178	0.6
147.02963	0.8
147.04393	1.5
149.02386	0.6
149.05954	1.7
151.03914	0.9
152.07156	0.6
153.01833	4.3
154.04982	0.9
159.02847	3.9
159.07945	0.6
161.06006	0.5
163.03932	0.8
163.07523	0.6
165.01831	2.6
165.05472	0.7
166.06271	3.2
166.08611	1.8
167.07083	0.5
168.06615	0.5
168.55002	0.6
169.44560	0.6
173.05870	1.0
181.08592	37.2
186.06786	0.6
191.07033	1.6
195.10155	2.3
199.09657	24.5
201.05476	2.2
204.43077	0.6
209.08069	1.9
219.10135	0.7
223.09642	8.9
223.60124	0.6
229.04980	4.7
229.08807	0.5
230.06485	0.7
231.04913	1.5
231.06779	1.0
247.06007	0.6
247.09662	1.6
248.07686	1.7
249.07626	5.5
257.04480	3.1
261.11353	1.0
265.10718	3.0
267.08658	12.2
274.04465	1.3
285.03799	1.4
289.10754	4.4
302.04141	2.0
302.07007	1.0
303.04990	100.0
307.11700	6.9
323.04266	0.5
410.17914	0.9
464.19455	0.6
464.26230	0.6
465.10049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.01868	2.4
55.05513	13.3
57.07074	34.1
60.30296	1.4
67.05513	9.2
69.03423	1.7
69.07071	26.3
69.52888	10.9
71.08633	26.1
71.09016	2.7
79.05489	4.9
81.07063	21.3
83.08623	14.1
84.92028	1.5
85.10188	13.5
91.05492	3.0
93.07036	6.2
95.04932	2.2
95.08607	14.9
97.06505	3.4
97.10166	9.9
99.04452	4.2
105.07024	6.4
107.08601	5.7
109.06517	15.4
109.10189	9.5
109.33070	1.4
110.06911	1.2
111.08079	1.9
111.11705	6.0
119.08546	3.9
121.06483	2.2
121.10139	3.5
123.08084	12.5
123.11713	3.1
124.11984	1.5
125.05997	15.1
125.13204	1.9
127.07556	45.5
131.01714	1.4
133.10149	3.7
135.08044	3.6
135.11652	2.7
137.05974	3.7
137.09627	3.3
137.13223	1.3
139.07539	100.0
145.10158	3.2
147.11719	2.0
149.06015	3.2
149.09608	4.3
149.13249	2.6
151.07555	6.2
151.11211	2.8
153.08987	2.1
165.09093	3.0
165.12769	2.7
166.70975	1.6
167.07031	5.1
169.08546	1.7
175.14958	1.8
177.09131	16.6
189.12766	2.1
191.10564	2.1
301.28821	3.5
319.29913	8.6
347.33118	17.7
348.33200	1.5
373.30899	3.7
377.42633	1.5
399.36261	3.0
403.35266	1.9
417.37241	16.8
427.35330	2.0
445.36783	39.3
446.36957	2.1
463.37827	27.7
473.61084	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3782
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
50.87665	15.8
57.07066	22.7
57.55272	16.1
67.05504	23.1
69.07056	50.0
69.54115	100.0
71.08633	24.8
79.05479	19.5
79.81582	15.4
81.07059	57.8
83.08617	26.3
91.05508	23.8
93.07040	43.5
95.08627	53.3
105.07062	23.8
107.08597	42.0
109.10164	43.6
111.11678	15.3
119.08578	28.2
121.10153	22.0
123.11772	18.0
131.08589	16.2
133.10150	27.1
135.11676	30.3
145.10216	17.2
147.11615	16.3
159.11748	14.7
213.16296	17.9
287.20154	15.7
403.35617	20.8
427.35690	35.7
428.35934	31.9
445.36740	66.0
446.36978	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3781
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05507	24.8
57.07076	41.9
67.05504	7.9
69.07073	33.9
71.00053	7.6
71.08633	33.9
73.05084	3.1
79.05506	5.2
81.07051	27.1
83.08617	23.2
85.10188	19.2
91.05484	3.6
93.07038	9.8
95.08087	4.5
95.08585	22.9
97.10151	12.7
97.19698	2.9
98.21437	3.6
99.04415	5.5
105.07024	11.5
107.08587	13.3
109.06516	16.1
109.10159	11.0
111.08052	4.9
111.11731	9.3
117.87349	3.2
119.08597	6.2
119.99258	3.3
121.10136	6.3
123.08086	12.7
125.05985	15.1
127.07571	42.4
133.10085	5.1
137.05963	9.6
137.09631	5.0
137.13304	4.6
139.07541	100.0
145.10139	4.5
150.21771	3.2
151.07518	9.6
159.11703	4.9
167.07115	5.3
174.10283	4.1
175.14769	3.6
177.09105	15.4
193.12288	4.6
195.06982	3.5
196.34503	3.3
301.28946	4.5
316.79126	4.1
319.29938	11.6
347.33090	14.8
350.26431	3.5
373.31140	6.6
417.37268	23.0
427.35992	5.7
445.36819	64.6
463.37775	45.9
471.46387	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	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05507	33.7
57.07077	61.6
58.49422	6.9
67.05500	17.2
69.07075	89.3
69.07429	11.4
70.88438	18.6
71.08636	58.3
79.05477	17.9
81.07055	40.5
83.08617	69.0
85.10176	23.1
91.05481	20.0
93.07047	33.7
95.08598	40.4
97.10162	41.8
105.07015	22.4
107.08599	57.3
108.44211	8.2
109.06514	14.8
109.10143	24.0
111.08090	11.7
111.11736	25.5
117.06986	9.4
119.08578	36.1
121.06442	8.7
121.10155	28.0
123.08080	22.3
123.11692	12.3
125.13287	20.7
133.10132	18.9
135.08043	31.3
135.11688	16.8
137.06119	10.4
137.09648	9.9
137.13252	9.4
139.07584	13.1
143.08531	11.2
145.10129	13.7
147.11699	22.9
149.09622	9.3
149.13252	9.7
151.07559	22.5
159.11740	11.3
161.09634	9.5
161.13252	37.6
163.11188	8.0
165.28087	7.9
175.11153	14.1
175.14885	10.0
177.09113	18.0
181.08615	27.5
191.10550	9.1
203.10690	9.1
217.12209	14.4
221.15263	8.8
231.13815	9.8
235.13266	14.9
249.14865	8.4
259.17010	9.5
263.16418	18.0
277.18195	13.5
287.19897	9.9
305.21185	9.2
307.22592	9.6
317.28400	8.3
319.22742	19.7
333.24271	14.6
357.35107	52.2
375.28964	12.1
375.36212	21.7
389.30978	10.4
399.36057	37.2
403.35785	11.9
417.37381	18.3
426.23849	7.7
427.35608	57.7
445.36874	100.0
463.38379	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	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.4
55.01860	7.1
55.05510	31.3
57.03430	12.1
57.07079	4.6
65.03932	2.7
67.05504	100.0
69.03423	2.6
69.07071	29.7
70.09258	1.9
70.73116	5.6
71.04988	6.8
71.08621	4.7
76.76911	1.9
79.05492	64.1
80.05818	2.5
81.03406	5.5
81.07054	82.9
83.04964	6.4
83.08621	15.5
85.02872	2.3
85.06541	8.0
91.05479	84.1
93.07039	66.4
95.04984	17.4
95.08604	51.4
97.06545	10.4
97.10181	5.4
99.08098	5.5
103.05438	5.3
105.07029	83.7
107.04940	9.8
107.08573	32.2
109.06493	11.5
109.10162	17.5
110.70041	2.2
111.08072	4.1
113.00006	3.9
113.09668	2.4
115.05447	5.2
116.71829	2.0
117.07024	41.6
119.08578	51.2
121.02827	2.5
121.06503	12.4
121.10133	25.3
123.08057	8.1
123.11720	4.0
125.09618	3.7
128.06216	7.9
128.68819	1.9
129.07019	25.5
131.08571	72.8
132.08978	2.5
133.06480	7.6
133.10120	36.0
134.10431	2.5
135.08046	8.2
135.11684	15.3
137.09615	5.0
139.11185	3.0
141.06998	11.0
143.08562	25.9
145.06454	3.8
145.10117	35.6
147.08031	7.5
147.11691	9.2
149.09589	5.7
149.13237	7.7
151.11143	4.1
155.08530	14.6
157.06525	2.1
157.10138	14.8
159.08041	3.8
159.11694	20.4
161.09653	6.6
161.13249	6.2
163.11076	3.6
167.08493	4.9
168.09270	2.2
169.10126	14.7
171.11642	13.9
173.13222	9.7
175.11145	3.4
177.12831	3.3
179.14304	6.8
181.10127	6.5
183.11629	6.6
185.09628	3.7
185.13271	8.9
187.11115	3.5
187.14861	5.8
193.12201	2.3
195.11688	7.6
197.13235	8.6
199.11122	3.1
199.14894	4.9
201.12752	3.6
201.16371	2.4
209.13283	5.0
211.14813	8.2
213.12689	3.4
213.16403	2.2
215.14381	2.6
217.15912	2.8
217.77753	2.4
221.15245	2.3
225.16347	2.8
233.15358	4.4
239.17955	3.4
243.17305	2.8
245.15289	2.7
247.16930	4.1
254.15288	2.4
259.16837	3.8
261.18561	2.8
273.18399	4.8
277.21497	4.4
287.20166	3.3
311.95612	2.1
323.08051	4.3
325.25171	9.9
335.23694	10.5
343.26328	16.7
351.25418	5.0
353.24698	43.3
371.25824	50.0
389.12466	2.4
389.26907	53.8
417.30029	3.5
427.28320	5.0
445.23441	4.2
445.29474	72.1
446.30035	3.5
463.30649	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	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.8
55.01878	4.2
55.05512	28.1
57.03437	12.4
57.07084	4.7
65.03925	4.6
67.05508	75.7
69.03429	5.1
69.07072	27.3
69.65601	2.3
70.98144	4.6
70.98476	2.9
71.05005	4.5
79.05498	62.3
81.03407	4.6
81.06589	4.9
81.07059	75.4
83.05006	6.2
83.08623	11.8
85.06551	5.4
91.05482	79.2
93.07049	68.3
95.04967	12.2
95.08602	48.0
97.02894	3.9
97.06551	7.1
97.10158	6.6
99.08069	2.9
101.06029	2.2
103.05495	3.7
105.07037	76.5
107.04936	6.1
107.08602	28.8
109.06516	10.2
109.10154	14.8
111.08102	4.0
112.96476	2.2
113.06002	2.3
117.07031	30.7
119.08585	51.7
121.02879	2.9
121.06517	10.4
121.10143	23.1
123.08082	4.8
123.11710	5.5
125.09690	3.2
128.06252	5.1
129.07010	24.2
130.07774	2.5
131.08560	57.7
133.06517	5.5
133.10133	34.0
135.08041	7.1
135.11699	8.1
137.09633	3.2
139.07608	2.0
141.07002	9.5
142.07773	3.3
143.08566	21.7
145.06458	4.8
145.10109	30.0
147.08084	7.0
147.11703	7.0
149.05836	2.4
149.09650	7.0
149.13249	5.4
151.11206	5.0
155.08618	11.8
157.06442	2.7
157.10110	17.2
159.11691	13.9
161.09613	4.3
161.13223	5.4
167.08557	5.2
169.10141	12.6
171.11673	11.3
173.13315	8.7
175.11195	3.5
181.10141	5.8
183.11784	6.1
185.09595	2.8
185.13234	9.0
187.11278	2.7
187.14807	6.2
191.10571	2.6
195.11653	7.7
195.13737	2.5
197.13272	11.2
198.09192	5.3
199.14838	4.4
209.13278	3.9
211.14807	8.0
213.12856	3.9
213.16301	2.4
215.14314	4.4
219.13823	2.4
219.17494	3.5
223.14803	5.3
225.16322	3.4
227.14394	3.9
233.15431	3.9
237.16454	2.6
243.17459	3.7
247.17026	5.1
259.17072	3.6
271.17130	3.0
273.18616	4.0
286.04987	2.3
287.05438	3.9
301.06955	4.1
325.25327	9.2
335.23712	9.2
343.26276	18.6
353.24753	41.1
354.24503	2.3
371.25821	55.9
387.76651	2.5
389.26843	52.8
417.30173	2.5
427.28668	3.8
445.23471	5.1
445.29532	100.0
446.29593	2.5
463.30737	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.2
55.01858	6.7
55.05268	2.7
55.05513	31.6
57.03450	11.2
57.07069	2.9
65.03938	6.7
67.05505	85.1
67.39670	1.9
69.03416	2.2
69.07071	27.6
69.86612	4.6
69.87016	5.9
71.04983	6.7
79.05492	72.7
81.07055	88.8
83.04963	5.8
83.08614	15.6
85.06544	4.6
91.05480	94.1
91.11926	2.3
91.48038	2.1
93.07043	75.1
93.07632	3.7
94.08598	2.0
95.04952	13.9
95.08611	54.7
97.06523	9.2
97.10184	4.5
98.20752	2.4
99.08096	2.3
103.05436	4.2
105.04516	2.6
105.07031	97.1
106.07393	2.3
107.04935	9.2
107.08589	39.1
109.06512	9.6
109.10155	18.5
111.08086	6.3
112.74184	2.1
115.05490	5.6
116.06236	3.6
117.07020	45.5
119.08583	60.7
121.06497	9.4
121.10133	23.8
123.08073	6.5
123.11672	2.9
125.09621	2.1
128.06238	7.8
129.07002	30.5
130.07796	2.4
131.08571	73.9
133.06471	6.2
133.10146	34.5
135.08043	7.7
135.11685	9.7
136.93884	2.0
137.09605	7.1
141.06996	12.9
142.07797	3.6
143.08554	27.3
145.06467	4.9
145.10118	45.3
147.08055	8.5
147.11700	11.2
149.09608	8.6
149.13243	8.3
151.11090	3.5
153.07024	2.1
155.08546	17.6
156.09251	2.3
157.10138	19.5
159.08044	4.9
159.11705	22.0
161.09631	5.8
161.13300	5.7
163.11145	2.7
167.08548	6.2
169.10168	15.5
171.08087	3.5
171.11682	14.0
173.13286	9.7
177.12750	4.1
179.08551	2.4
181.10130	9.5
183.11688	8.7
185.09674	4.0
185.13228	11.2
187.11179	5.4
187.14827	7.0
195.11685	9.3
197.13272	8.9
199.11247	3.2
199.14850	4.6
201.12790	3.4
203.64149	1.9
207.11629	2.2
209.13283	8.4
210.13896	1.9
211.14784	7.5
213.12828	2.6
213.16496	2.9
217.15909	3.4
219.13860	2.4
223.14839	5.7
225.16325	4.0
227.14236	3.3
233.15282	4.7
235.14783	3.6
235.16948	2.7
237.16431	3.0
241.16051	2.4
243.17442	3.6
247.16930	8.9
255.17509	4.8
257.19006	3.4
259.16922	6.3
261.18491	3.8
273.18448	6.0
287.20209	3.2
307.24194	2.5
316.06049	2.2
325.25305	8.9
335.23581	16.5
343.26312	18.3
353.24683	48.4
371.25806	71.8
389.26843	78.1
390.27304	2.6
403.08591	2.2
427.28711	9.7
437.07648	2.4
445.29480	100.0
446.29727	4.4
463.24384	4.8
463.30560	64.9
464.31219	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	463.3041
Annotation	Verbacine
Peak:m/z	Relative Intensity
55.01872	1.3
55.05511	5.9
57.03447	2.0
57.07072	1.2
66.54358	1.1
67.05505	17.5
69.07064	7.2
71.04983	1.6
71.54028	1.2
71.54445	1.3
79.05497	13.7
81.03414	1.5
81.07056	18.3
83.01132	1.4
83.04989	2.1
83.08613	4.0
85.06550	1.8
91.05480	13.6
91.74061	1.0
93.07042	14.7
95.04973	3.8
95.08604	10.3
97.06560	2.1
97.10148	1.7
105.07037	13.8
107.04987	1.6
107.08585	5.8
109.10149	2.8
111.04257	1.1
111.08124	1.2
115.05442	1.2
117.07030	7.1
119.08585	6.6
121.06551	1.5
121.10132	6.9
127.03658	2.7
128.06209	1.1
129.06996	4.4
131.08553	10.5
133.10164	4.8
135.11748	2.4
143.08578	3.2
145.10164	5.0
147.11728	1.8
149.13272	3.1
155.08562	1.9
157.10193	3.2
159.11758	2.7
161.13354	1.9
163.11246	1.2
169.10220	2.0
171.11711	2.3
173.13300	2.2
177.12827	1.5
185.13428	1.8
189.33261	1.1
195.13873	1.3
197.13336	1.9
199.03963	2.7
199.09428	1.3
199.14902	1.6
209.62038	1.4
210.06958	1.5
211.07593	2.0
211.28479	1.0
225.09167	4.3
235.07442	1.3
241.08725	3.1
243.10184	1.3
253.08649	3.9
255.13867	3.6
280.11038	1.4
295.13376	5.1
327.15912	16.7
337.16330	1.8
343.26334	2.7
353.24976	4.6
371.25900	8.0
377.19321	2.4
389.26761	7.3
427.29053	1.2
445.29456	15.6
463.30249	100.0
464.30649	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	463.1237
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
53.03952	0.8
55.01867	2.0
56.54039	0.6
57.03440	0.9
61.02924	1.3
67.05492	1.7
69.03423	2.7
69.07055	0.7
69.21890	6.9
70.06592	4.8
71.04982	1.2
72.08154	1.3
73.02908	0.9
79.05492	0.9
81.03428	3.1
81.07044	1.2
83.04974	0.6
84.04487	0.7
84.08115	2.0
84.30650	0.6
85.02913	6.0
85.03388	0.9
85.06538	0.7
86.06046	0.7
86.09705	1.8
91.05499	1.1
93.07050	2.1
95.04958	1.8
95.08595	1.5
97.02886	2.1
99.04465	1.3
105.03384	3.6
105.07008	1.5
105.89156	0.6
106.03730	0.7
107.08565	0.9
109.02860	2.0
110.07165	1.3
117.17340	0.7
119.04918	1.0
119.08517	1.0
120.08105	0.9
121.02876	1.5
123.04449	0.9
125.07235	0.7
127.03893	1.7
133.10091	0.8
134.06023	0.7
137.02336	0.7
147.08075	0.7
149.02295	0.9
149.05991	0.8
151.03882	1.8
161.05907	0.8
163.03934	0.8
163.07518	3.0
164.07866	2.0
165.01820	3.3
167.03372	0.8
168.00560	1.5
175.03911	1.2
183.02914	1.2
186.01637	1.1
187.03867	1.0
189.05507	1.7
195.04356	1.5
197.08221	0.9
205.08652	2.5
206.08986	2.3
217.05013	0.8
240.04359	0.8
247.09702	0.8
248.10023	1.5
258.05350	1.1
265.10712	0.9
266.11053	2.8
270.05185	1.7
271.06247	0.9
282.05246	2.4
285.04016	1.1
286.04727	61.3
287.05106	1.8
296.06760	2.3
297.07523	1.1
298.04672	5.7
300.02933	1.4
300.06409	2.4
301.07080	100.0
302.07019	2.3
310.04770	1.2
310.08212	1.1
311.09122	1.7
313.07080	30.1
314.07776	2.5
321.94940	0.7
324.06247	3.8
325.06934	1.9
327.08688	1.4
328.05835	4.3
338.07892	2.2
339.08755	3.8
343.08154	23.1
353.10266	3.8
363.08572	0.9
367.08163	13.0
367.12735	1.1
379.08060	3.4
391.08060	2.5
397.09232	6.5
409.09055	6.5
427.10300	7.7
427.15619	1.1
445.11328	5.4
445.16544	1.1
445.24515	1.4
463.12311	2.1
463.18524	0.8
463.25671	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1232
Annotation	Isoscoparine
Peak:m/z	Relative Intensity
53.55056	0.9
55.05497	0.7
57.03429	1.3
67.05495	1.5
69.03414	3.4
69.07040	1.0
70.06581	6.9
71.44732	1.2
72.08147	1.3
78.17869	0.9
81.03413	3.1
81.07042	2.9
83.04975	1.0
84.04514	1.9
84.08113	1.7
85.02891	5.5
85.06570	1.3
86.09714	5.8
87.00817	1.0
91.05461	1.9
93.07072	0.8
95.04955	1.9
95.08610	1.7
97.02893	2.4
97.95279	0.8
99.04449	1.2
100.11156	0.8
105.03368	1.7
105.07040	1.6
107.08566	1.2
108.05581	1.7
109.02865	3.9
109.10157	2.1
119.08548	1.7
121.06483	1.0
123.04422	1.0
123.11748	1.1
124.73432	1.0
127.03893	2.8
129.10185	0.9
130.06516	2.2
132.04399	1.2
135.04428	0.9
135.11751	1.3
136.07623	1.2
137.02345	3.8
137.05974	1.5
141.01807	1.2
145.10223	1.4
147.04420	1.1
149.05994	3.2
151.03879	11.8
157.07585	1.1
159.11794	0.9
161.06006	1.2
163.03877	1.4
165.01848	5.7
167.03426	1.5
175.03947	1.3
177.01787	2.6
181.04956	0.9
181.94965	0.9
183.02872	2.5
189.05391	1.0
195.02901	1.4
201.05370	0.9
217.04924	3.3
229.04980	1.3
235.11961	1.1
243.02777	1.6
243.06546	2.2
244.07303	1.1
254.05742	1.1
258.05209	1.5
259.06024	1.2
261.03922	2.6
270.05157	3.1
271.05984	5.1
272.06778	2.3
273.07993	0.9
282.05286	2.0
283.06161	1.2
284.06833	2.0
285.07632	2.5
286.04654	3.4
286.07898	1.6
295.05984	1.7
296.06744	5.1
297.07584	2.2
298.04727	24.4
299.05557	3.4
300.06216	9.0
301.06949	7.4
310.04681	6.7
310.08377	5.1
311.05441	5.2
311.08994	2.4
312.06241	6.8
313.07053	95.5
314.07843	14.5
314.11307	1.9
324.06274	8.5
325.07040	11.0
325.10568	1.6
327.08630	8.7
328.05820	20.3
336.06238	1.5
337.07156	2.2
338.07816	9.7
339.05045	1.2
339.08624	9.2
341.06628	2.5
343.08124	100.0
344.08377	1.9
348.06073	1.2
351.08496	1.1
352.05667	2.6
353.06326	1.4
353.10236	17.0
353.62564	0.9
355.08029	3.2
357.09863	1.1
363.08585	2.3
364.05795	1.2
366.07367	1.2
367.08139	37.5
373.09207	3.9
379.08093	7.8
381.09821	5.5
385.09143	1.9
391.07922	4.2
394.06866	1.1
397.09198	24.1
409.09219	19.6
427.10275	33.9
427.23148	1.1
428.10831	1.3
445.11276	43.5
445.16214	1.6
445.24438	1.7
463.12311	58.9
463.25592	2.0
464.12527	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1232
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
65.86755	0.2
74.35914	0.2
94.52097	0.2
98.21507	0.6
101.03072	0.2
103.45874	0.2
104.93518	0.2
141.57066	0.2
153.01991	0.3
161.43977	0.2
179.03308	0.2
229.04953	0.4
258.05246	15.6
283.06152	1.0
286.04727	36.9
287.05179	0.6
301.07071	100.0
302.07361	1.8
463.12073	0.5
479.55002	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.01871	0.6
55.05499	0.7
56.05045	0.7
57.03434	1.3
61.02925	1.0
67.05521	0.5
68.04998	0.4
69.03435	3.6
70.06594	3.8
70.30024	1.6
71.05000	0.9
72.08147	3.0
73.02903	0.5
73.06561	0.5
74.60222	0.5
81.03416	1.7
82.06583	1.1
83.04972	0.5
84.04528	0.8
84.08144	2.5
85.02430	0.7
85.02908	7.5
85.06532	0.6
86.09705	2.5
87.00856	0.8
87.04485	2.5
89.06032	99.9
91.05466	0.6
93.07003	0.7
95.04958	0.6
97.02901	3.3
98.21382	0.7
99.04459	1.0
105.01889	0.6
107.07057	2.6
109.02877	1.7
110.07166	0.6
112.07645	0.6
115.03880	0.5
116.07085	0.8
118.99614	0.5
119.04951	0.5
121.02837	0.8
127.03930	2.1
128.07083	2.5
129.10214	0.8
130.06514	0.5
130.08647	1.4
133.08603	46.0
136.07544	0.7
137.05992	0.8
138.05513	0.7
145.04950	1.5
146.06104	0.5
147.04404	0.7
151.09668	1.3
154.05022	2.3
157.07683	0.6
167.07063	0.6
169.91322	0.6
177.11234	19.3
195.12273	3.2
205.08595	0.6
221.13893	1.7
227.60394	0.6
239.14949	2.9
265.14188	0.8
278.74747	0.5
280.08176	0.8
283.17514	100.0
284.17801	1.2
300.08557	0.8
326.24396	0.5
462.13736	0.9
462.25687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01860	3.5
55.05496	2.1
57.03427	3.0
61.02916	3.0
67.05508	14.0
69.03430	8.7
69.07072	5.6
70.06583	2.9
70.57198	2.6
71.04989	2.1
72.00867	8.0
72.08151	1.1
73.02899	1.8
77.03930	2.0
79.05495	8.9
81.03418	6.5
81.07060	20.6
82.04194	1.2
82.87070	1.0
84.08144	2.1
85.02433	1.9
85.02907	22.8
86.09722	5.5
87.04454	1.1
91.05470	3.8
93.07037	3.7
95.04961	5.0
95.08611	9.2
97.02884	8.1
99.04466	2.2
105.03394	2.3
105.07021	4.0
106.06540	2.1
107.04954	8.4
107.08600	4.8
109.02858	5.1
109.10156	43.5
117.07058	2.1
119.08585	2.1
121.02831	2.0
121.06496	2.5
121.10130	6.8
123.04436	1.4
123.11700	26.3
125.06042	1.2
127.03912	7.1
128.06256	1.2
131.04959	1.3
133.02872	5.7
133.06483	2.5
133.10133	2.8
134.03642	5.8
134.05991	4.0
135.04417	72.9
135.05396	2.4
135.11662	3.7
144.05664	1.6
145.04936	4.0
145.06497	3.7
147.04401	2.7
147.08044	3.3
151.03882	7.1
156.55659	1.0
157.06421	1.6
159.08006	2.6
159.11569	1.1
160.04019	1.8
161.05911	1.4
161.09625	2.0
161.13226	1.7
162.05496	2.3
171.08061	4.7
172.07506	1.3
173.06009	1.9
173.09662	5.2
175.03981	2.0
175.07567	1.7
178.04994	100.0
179.05388	1.9
183.08092	1.4
184.07504	1.5
185.06059	1.5
185.09619	2.9
187.07515	1.5
187.11275	1.7
192.06569	5.3
195.10201	1.5
196.08714	1.0
199.07542	4.8
202.05017	1.4
204.06471	2.3
206.08212	2.0
209.08313	1.7
213.09100	2.1
213.12737	2.6
216.06557	3.4
218.08171	5.6
220.09727	3.6
226.08572	1.9
227.14255	5.2
232.09644	2.3
240.10255	1.4
244.09712	18.3
245.10071	1.2
255.13786	18.7
258.05234	1.8
258.07709	2.7
258.11185	1.9
282.14951	3.3
286.04755	2.8
300.08728	2.2
300.15961	52.8
301.07080	35.9
301.10284	1.0
301.16202	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	462.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	17.3
57.03417	1.9
59.04996	4.8
61.02919	1.2
69.03449	2.8
70.06593	5.5
71.04976	1.6
72.08150	1.6
72.83421	1.1
81.03413	4.2
81.07043	1.9
82.67590	1.2
84.04518	1.7
84.08150	1.7
85.02912	9.4
86.06063	1.5
86.09707	2.2
87.00866	1.8
91.05474	2.6
95.04993	2.2
95.08595	1.5
97.02871	2.5
105.03401	16.3
106.03728	3.4
107.04950	2.8
108.05294	1.4
109.02885	2.8
117.05541	1.9
119.08542	1.3
120.08101	1.4
122.18224	1.2
127.03922	2.2
131.08539	1.5
135.04382	6.9
136.67635	1.2
145.04977	2.2
145.06442	2.1
147.04405	7.4
149.05983	2.7
151.03912	1.8
161.06027	1.8
161.09485	1.2
162.05515	1.4
163.03891	2.9
163.07550	97.5
165.01830	2.5
175.06273	1.3
175.07539	7.8
177.01833	4.6
177.09145	4.0
178.02071	1.4
179.07019	3.0
179.10680	1.8
183.02931	1.6
187.07579	4.7
189.05449	10.0
191.03320	2.4
197.11661	1.7
197.93401	1.3
205.08606	100.0
206.09036	1.9
207.06548	2.0
217.04936	1.3
247.09662	50.7
247.12166	2.7
255.06508	2.6
256.06891	2.0
265.10724	77.5
282.05307	1.7
286.04730	6.1
296.06778	2.9
297.07584	2.1
298.04672	4.6
298.07907	2.7
300.06296	1.9
300.12183	1.4
301.07056	9.0
310.04767	2.2
313.07025	29.0
314.07751	2.5
322.08466	1.4
324.06299	3.3
325.07190	1.5
328.05762	4.0
330.49771	1.3
337.07034	1.5
338.07861	2.4
339.08630	4.6
340.09052	2.1
343.08151	24.2
353.10330	3.3
367.08142	12.1
368.33176	1.4
379.08127	3.4
391.07880	1.9
397.09015	7.2
409.09100	5.7
427.10275	6.3
444.16547	4.9
445.11377	5.8
452.46765	1.3
463.12088	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	462.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	17.3
57.03417	1.9
59.04996	4.8
61.02919	1.2
69.03449	2.8
70.06593	5.5
71.04976	1.6
72.08150	1.6
72.83421	1.1
81.03413	4.2
81.07043	1.9
82.67590	1.2
84.04518	1.7
84.08150	1.7
85.02912	9.4
86.06063	1.5
86.09707	2.2
87.00866	1.8
91.05474	2.6
95.04993	2.2
95.08595	1.5
97.02871	2.5
105.03401	16.3
106.03728	3.4
107.04950	2.8
108.05294	1.4
109.02885	2.8
117.05541	1.9
119.08542	1.3
120.08101	1.4
122.18224	1.2
127.03922	2.2
131.08539	1.5
135.04382	6.9
136.67635	1.2
145.04977	2.2
145.06442	2.1
147.04405	7.4
149.05983	2.7
151.03912	1.8
161.06027	1.8
161.09485	1.2
162.05515	1.4
163.03891	2.9
163.07550	97.5
165.01830	2.5
175.06273	1.3
175.07539	7.8
177.01833	4.6
177.09145	4.0
178.02071	1.4
179.07019	3.0
179.10680	1.8
183.02931	1.6
187.07579	4.7
189.05449	10.0
191.03320	2.4
197.11661	1.7
197.93401	1.3
205.08606	100.0
206.09036	1.9
207.06548	2.0
217.04936	1.3
247.09662	50.7
247.12166	2.7
255.06508	2.6
256.06891	2.0
265.10724	77.5
282.05307	1.7
286.04730	6.1
296.06778	2.9
297.07584	2.1
298.04672	4.6
298.07907	2.7
300.06296	1.9
300.12183	1.4
301.07056	9.0
310.04767	2.2
313.07025	29.0
314.07751	2.5
322.08466	1.4
324.06299	3.3
325.07190	1.5
328.05762	4.0
330.49771	1.3
337.07034	1.5
338.07861	2.4
339.08630	4.6
340.09052	2.1
343.08151	24.2
353.10330	3.3
367.08142	12.1
368.33176	1.4
379.08127	3.4
391.07880	1.9
397.09015	7.2
409.09100	5.7
427.10275	6.3
444.16547	4.9
445.11377	5.8
452.46765	1.3
463.12088	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	462.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.05506	0.5
56.05027	0.3
57.03405	0.2
59.04986	0.2
60.04519	0.4
67.04240	0.7
67.05482	0.3
68.05042	0.2
69.03420	1.1
69.07045	0.4
70.06590	3.1
71.04987	0.7
71.53246	0.2
72.08147	0.6
79.05473	0.4
80.05019	0.2
81.03001	0.2
81.03410	1.3
81.07051	0.3
82.06577	17.3
83.04980	0.2
83.07356	0.3
84.04492	0.5
84.08128	1.5
85.02891	1.2
85.06541	0.4
86.09708	1.3
91.05452	0.3
94.06558	0.3
95.04977	0.4
95.08559	0.2
96.08139	0.4
97.02883	0.8
98.09653	0.2
99.04447	0.3
100.07614	4.8
102.05515	0.3
107.04934	0.2
107.08579	0.3
109.02853	0.4
109.10200	0.3
110.06060	0.2
112.07619	0.3
113.05989	1.4
114.05491	0.2
116.07088	0.3
119.04958	0.2
119.08582	0.3
120.04523	0.2
121.02869	0.2
121.06474	0.2
124.07571	0.4
126.05547	0.2
127.03938	0.5
128.07074	100.0
129.07480	0.3
129.10255	0.6
130.08618	0.2
136.07549	0.2
142.08640	1.4
145.04933	0.3
147.04417	0.7
152.07079	0.3
154.04980	1.9
167.07047	0.3
168.06505	0.4
186.07620	0.3
188.09200	2.0
202.09889	0.2
203.07190	0.2
207.06448	0.5
214.14380	0.3
240.12329	0.4
245.10306	0.4
260.09097	0.3
264.15643	0.2
273.03885	1.3
274.12970	0.2
280.08252	0.4
282.17044	0.3
296.11282	0.5
303.05124	0.6
314.12271	1.2
332.09448	0.3
332.13370	5.6
406.14011	0.2
416.19394	0.6
434.17960	0.2
462.19666	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	461.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	18.7
57.03413	8.0
67.05497	29.4
68.05780	6.6
69.07059	33.4
70.39951	6.0
70.47972	15.9
70.48374	12.5
71.04980	27.4
79.05476	33.8
81.07056	84.8
83.08621	23.7
91.05474	21.8
93.07062	67.3
95.04913	7.3
95.08598	79.1
97.10151	9.1
98.98489	7.1
105.07040	33.2
107.08594	66.1
109.06528	9.3
109.10149	100.0
119.08540	32.7
121.10119	43.0
123.11686	21.8
127.11198	42.6
129.07039	7.4
131.08559	6.6
133.06519	7.4
133.10114	23.3
135.11674	36.5
137.00005	6.7
137.13242	10.9
145.10143	15.9
147.11681	26.9
149.13239	37.0
150.71635	6.7
153.12726	28.9
157.10103	6.8
159.11664	18.7
161.13245	28.6
163.14850	15.5
173.13333	9.9
175.14816	16.4
177.16327	11.3
177.64006	6.5
187.14792	14.4
189.16342	11.6
191.17993	6.9
201.16417	9.4
203.17949	7.4
215.17920	5.9
217.19574	13.2
231.20885	7.6
342.72131	7.5
425.37717	17.5
443.39069	11.2
461.27054	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	462.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13467	2.2
55.05494	6.5
57.03391	2.1
59.05006	2.6
67.05492	9.8
69.07037	8.5
71.53738	2.3
79.05490	7.4
81.03407	2.9
81.07050	13.2
83.04970	4.9
83.08606	3.0
85.06510	3.4
91.05457	7.7
92.04996	4.9
92.05794	2.2
93.07029	6.9
95.04964	4.3
95.08585	6.7
95.14205	2.1
96.05315	2.1
97.10183	2.9
99.04436	6.4
103.05437	3.8
104.04954	2.4
105.07002	5.6
106.06560	3.2
107.04935	2.6
107.08595	3.5
109.10170	3.3
119.04907	2.5
119.08582	2.5
120.04467	36.2
130.06522	2.2
131.04922	3.8
131.08575	2.0
132.04459	24.9
133.10170	2.9
134.06015	9.3
140.07036	2.2
143.08522	2.9
146.06010	2.4
147.04381	6.3
147.11705	2.3
148.03908	9.2
158.06082	3.8
159.04434	3.4
160.03944	13.7
162.05476	18.8
172.07594	2.3
175.03914	100.0
176.04549	3.7
186.09151	5.0
187.03857	11.5
189.05489	12.8
196.07596	8.9
214.08615	5.7
215.06953	3.2
217.08540	2.5
229.08649	7.4
231.10170	64.7
254.08054	2.9
283.13318	3.0
299.09192	4.5
301.07294	2.3
301.14291	5.4
302.08084	8.5
304.06271	2.5
316.09760	2.3
318.07538	7.0
334.07242	2.6
334.31168	2.4
342.11298	5.8
346.06772	2.9
350.35068	2.2
352.09644	2.9
354.11130	2.3
368.12720	2.7
370.10715	23.5
370.24606	2.4
371.11176	2.5
384.12170	6.0
386.13605	8.1
388.11789	4.1
395.76022	2.4
426.16956	90.1
439.04959	2.9
444.18051	33.5
453.02802	3.6
461.37128	4.4
462.19153	57.4
462.28836	13.1
462.37650	8.9
464.37485	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	461.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.0
55.05506	32.6
57.07077	56.8
65.03954	3.3
67.05497	16.5
69.03481	3.7
69.07072	58.1
71.03440	5.4
71.04987	6.6
71.08633	48.3
79.05487	10.9
81.07059	91.1
83.04964	8.7
83.08614	44.3
85.10187	27.3
88.34578	3.3
91.05483	6.3
93.07045	19.0
95.08606	61.1
97.10173	23.4
99.04465	16.7
105.07045	13.5
107.08608	18.8
109.06518	15.6
109.10155	26.6
111.04430	7.5
111.11710	19.4
117.07011	6.3
119.08583	13.5
121.10171	14.3
121.40543	3.6
123.08047	9.8
123.11733	24.5
124.09702	3.5
125.05999	7.9
125.13321	5.0
127.03919	22.9
127.07582	4.5
129.07022	4.3
131.08574	12.2
133.06480	5.8
133.10158	6.9
135.08012	5.4
135.11697	7.9
137.05980	100.0
143.08591	4.6
144.09351	6.5
145.10089	18.0
149.09583	9.3
149.13252	5.9
151.07562	28.1
151.14824	6.3
155.08571	7.1
158.07405	4.7
159.11682	37.4
161.09656	3.9
163.07544	4.9
163.11237	5.3
165.09082	5.8
169.10141	8.0
171.08075	4.5
171.11696	5.5
172.08842	10.3
173.09624	62.4
175.11163	9.0
177.09108	14.2
177.12740	4.8
185.13181	5.0
187.11211	62.0
187.14789	4.0
189.12758	4.1
191.10661	13.7
193.08536	7.3
201.12856	5.3
205.12308	25.0
215.10652	7.0
215.14301	4.7
217.12103	6.3
219.13828	10.3
229.12230	7.2
243.17369	4.0
277.28876	7.6
310.41498	3.9
317.32114	5.3
335.33078	4.8
383.33032	60.4
384.33450	3.6
397.34351	19.1
401.34134	45.4
425.34280	13.3
443.35086	24.9
470.60785	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	461.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	41.0
55.46239	7.3
57.07074	76.1
66.06930	7.7
66.30579	7.5
67.05506	9.3
69.07076	53.2
69.50674	69.2
71.08632	49.4
75.76382	7.2
79.05479	17.4
80.51781	8.5
81.07053	93.5
83.08611	37.6
85.10177	20.8
93.07024	16.8
95.08584	54.9
97.10155	28.1
99.04443	16.1
105.07007	12.5
107.08600	12.6
109.10119	27.6
111.11725	16.2
117.07084	10.4
121.10200	21.9
123.08044	10.9
123.11691	17.8
125.05992	9.2
127.03926	24.7
131.08618	11.0
137.05975	100.0
143.29710	8.1
145.10083	22.1
151.07570	20.8
151.14807	9.6
159.11700	30.9
162.59431	9.1
173.09630	67.0
173.13286	9.8
177.09081	14.6
180.97269	9.3
187.11151	63.5
205.12183	20.9
228.82530	9.5
245.68852	8.8
335.32895	11.5
383.33139	54.4
397.34622	25.3
401.34106	71.1
425.34140	14.5
443.35196	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
54.13433	0.7
55.01862	1.5
55.05509	7.5
55.57788	0.8
57.03424	1.7
57.07063	1.7
59.04994	0.9
63.82314	0.8
65.23494	0.6
67.05505	10.6
69.03434	4.1
69.07058	6.3
70.06590	1.6
71.04979	1.1
71.08616	0.9
71.20141	1.4
79.05493	9.0
81.03414	5.7
81.06593	1.1
81.07053	19.0
83.01314	2.0
83.04986	4.2
83.08621	3.6
84.08157	1.3
85.02883	2.7
85.06525	2.7
86.09695	0.9
91.05473	10.5
92.05824	0.7
93.07037	8.2
95.04955	5.3
95.08607	18.2
97.02881	1.9
97.06512	2.0
97.10165	3.2
99.04458	1.9
99.08044	0.7
100.11255	1.5
103.05407	1.0
105.03391	2.4
105.07044	11.2
107.04931	3.3
107.08605	7.7
109.02884	1.5
109.06508	1.8
109.10153	8.1
111.04433	8.1
111.08081	1.6
115.05428	1.7
117.07023	3.8
119.04932	1.5
119.08580	6.7
121.02843	1.1
121.06506	5.3
121.10115	5.5
123.08080	10.1
123.11704	3.6
125.09650	2.4
127.03877	2.6
127.11070	0.7
128.06219	1.8
129.07004	3.5
131.04904	0.8
131.08571	7.7
133.06491	0.8
133.10112	3.9
135.04321	0.9
135.08055	12.1
135.11732	3.5
137.05959	1.6
137.09653	3.7
137.13190	1.1
139.07591	0.8
141.07025	0.9
142.07829	0.9
143.08551	2.3
145.04871	0.9
145.06467	2.3
145.10121	6.0
147.07988	2.5
147.11722	4.0
147.12811	0.7
149.09616	7.0
149.13260	2.0
151.07542	84.5
152.07741	0.9
155.08513	2.1
157.10115	2.9
158.07268	1.5
159.08055	7.1
159.11710	4.3
161.05957	2.0
161.09569	2.1
161.13223	1.6
162.06746	3.8
163.07555	1.8
163.11163	7.2
165.09102	30.2
165.12840	0.7
167.07094	0.8
171.11717	0.8
172.08812	1.0
173.09610	7.6
175.03944	0.9
175.07492	2.1
175.11142	1.6
176.08316	9.7
177.09108	63.8
178.05025	0.8
182.15433	0.9
183.08041	1.1
183.11662	1.0
184.07712	0.7
185.09619	1.1
187.11168	3.7
187.14772	0.9
189.09087	2.4
189.11015	0.8
189.12778	1.0
190.09877	4.9
191.10664	100.0
192.11015	1.5
193.08583	0.9
198.09125	1.2
199.11281	1.7
199.14767	1.1
201.12755	0.9
203.10580	1.5
205.12242	69.7
206.12517	1.2
207.06554	1.2
209.13258	1.3
212.43399	0.8
217.12238	1.7
219.13832	5.2
231.13821	1.1
251.23808	1.3
257.15189	1.2
299.05481	2.4
300.16245	0.9
301.18167	1.0
343.22348	0.8
351.23184	1.5
369.24045	2.5
387.25003	2.4
397.31042	1.8
415.32095	5.3
443.13351	1.9
443.27722	2.5
461.22015	1.4
461.28693	8.7
461.33325	4.5
468.57239	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.6
55.01864	10.0
55.05513	38.9
57.03439	12.6
57.07083	3.1
65.03947	6.3
67.05506	82.5
69.03435	5.3
69.07068	29.2
69.77705	13.0
71.05000	9.2
71.08640	2.2
72.88203	1.9
75.12211	2.0
78.01573	2.1
79.05021	2.4
79.05108	1.4
79.05494	80.1
81.03416	10.6
81.07056	82.5
83.04988	10.7
83.08620	25.0
85.02879	2.5
85.06547	6.5
91.02335	1.9
91.05483	94.0
91.09035	2.2
93.07047	70.1
95.04958	23.2
95.08608	48.1
96.50197	1.9
97.06535	13.0
97.10175	12.7
99.08098	5.9
103.05477	5.9
105.03400	2.6
105.07034	77.6
107.04972	15.2
107.08591	28.7
109.06513	15.8
109.10149	25.3
111.08105	9.6
115.05485	8.3
116.06264	2.7
117.07018	48.9
119.04974	4.4
119.08582	42.6
119.09376	3.5
121.06509	16.7
121.10150	24.1
123.08080	5.1
123.11731	4.9
125.09624	10.7
127.07572	3.3
128.06227	18.9
129.07001	54.4
130.07799	3.4
131.04930	5.8
131.08569	68.0
133.06474	16.0
133.10127	27.0
135.08093	13.9
135.11699	11.9
137.09683	6.8
141.06985	26.3
142.07828	7.5
143.08566	51.2
143.97906	2.3
145.06491	23.6
145.10127	35.5
147.08049	16.2
147.11725	11.4
149.05991	3.7
149.09578	11.8
149.13261	5.0
151.11259	3.3
153.06969	5.5
154.07816	3.6
155.08551	37.2
155.09700	2.6
156.09386	2.3
157.06549	6.4
157.08873	2.2
157.10100	26.8
159.08067	14.4
159.11679	20.3
161.09642	8.0
163.11221	5.0
165.07059	4.4
165.09151	2.3
166.07741	2.1
167.08575	14.7
168.09338	2.5
169.06648	2.5
169.10115	27.7
171.08086	11.7
171.11693	21.6
173.09685	8.2
173.13306	8.1
175.11134	9.8
177.12811	7.7
179.08626	7.3
181.10109	13.3
183.11674	16.5
185.09648	3.3
185.13257	15.3
187.11215	3.0
187.14870	5.9
189.11311	4.6
189.12872	5.1
189.16458	2.6
193.10181	8.9
195.11696	14.4
197.09810	3.6
197.13342	10.4
199.11275	5.7
199.14879	8.1
200.02789	2.1
200.10669	4.4
201.12793	5.9
201.16493	2.4
203.10651	2.2
203.14395	3.9
207.11682	7.5
209.13220	9.9
211.11313	5.0
211.14906	8.2
213.12869	7.4
213.16470	5.1
215.14369	8.6
217.12384	2.8
217.15962	6.2
219.13844	3.3
221.13376	9.3
223.14920	8.5
225.12833	5.6
225.16440	5.0
227.14540	4.3
229.16023	4.7
231.13803	5.2
233.15434	3.8
235.14920	9.1
237.16426	2.6
239.14394	6.6
239.18069	2.5
241.16177	2.7
243.13879	5.3
245.15532	6.0
247.16989	3.8
249.16515	3.2
253.15903	3.5
257.15466	9.5
259.17068	3.3
269.15384	2.6
271.16980	8.1
275.16281	2.4
285.18613	5.4
289.18265	3.1
323.23718	13.4
332.05652	3.0
333.22177	14.0
341.24667	18.7
347.07645	12.8
351.23206	54.9
352.23471	4.1
359.26083	2.6
369.24271	75.2
370.24811	5.5
387.25284	52.2
387.29916	2.9
405.26196	3.0
415.28476	3.3
425.26947	8.2
443.27960	89.0
444.28326	4.0
461.29111	100.0
462.29614	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.5
55.01864	7.3
55.05510	43.2
57.03450	15.0
57.07077	2.9
65.03937	5.8
67.05505	86.9
69.03423	4.4
69.07063	27.8
69.66022	17.7
71.04989	6.4
71.40218	2.4
73.06573	2.5
79.05497	69.4
81.03408	5.5
81.07058	70.7
83.04973	7.5
83.08611	21.6
85.06554	5.2
91.05479	100.0
93.07047	61.2
95.04968	17.4
95.08604	47.9
97.06523	10.6
97.10167	6.6
98.20818	3.1
99.08054	4.2
103.05473	7.5
105.07033	71.3
107.04951	11.1
107.08588	31.4
109.06500	9.4
109.10168	16.9
111.08084	7.3
115.05461	9.5
116.06281	2.9
117.07018	50.3
119.04934	4.7
119.08577	45.9
119.09378	5.0
121.06503	12.0
121.10176	15.0
123.08100	7.1
125.09595	8.5
128.06212	17.1
129.05565	3.0
129.07011	67.6
130.07742	4.2
131.04945	8.2
131.08569	76.8
133.06474	14.5
133.10115	22.0
135.08051	5.0
135.11700	9.5
137.09621	3.7
141.06987	25.7
142.07791	8.5
143.08560	59.0
145.06468	16.6
145.10126	31.1
147.08063	11.0
147.11691	8.2
149.09634	8.2
149.13266	4.3
153.06992	6.9
154.07895	3.4
155.08557	34.9
157.06516	4.0
157.10133	31.6
159.08072	9.2
159.11644	17.8
161.09663	5.4
161.13278	3.0
163.11052	3.9
165.06967	6.5
166.07727	3.1
167.08551	19.3
169.10135	27.8
170.10956	2.9
171.08121	7.7
171.11703	17.6
173.09671	3.6
173.11740	2.7
173.13293	7.5
175.11201	6.5
175.14757	3.2
177.12781	4.6
179.08556	7.5
181.10103	17.3
183.11674	13.7
183.68373	3.0
185.09702	4.5
185.13290	13.7
187.11171	5.1
187.14867	5.5
189.12761	4.0
193.10168	11.1
193.12184	4.4
195.11693	17.6
197.09659	4.2
197.11635	2.6
197.13191	12.1
199.11212	5.4
199.14842	10.2
201.12787	6.1
203.14357	4.0
207.11745	6.1
209.13280	9.4
211.14862	6.2
213.12846	5.1
213.16460	3.0
215.14343	15.7
217.15822	5.6
221.13246	17.7
223.14830	14.3
225.12735	5.5
225.16455	4.4
227.14435	5.5
231.17477	3.8
235.14833	9.8
239.14302	9.1
239.17912	3.3
241.15953	4.3
249.16553	3.6
253.15990	7.3
257.15411	7.7
259.16962	4.6
269.15277	2.8
271.16946	8.7
305.22711	4.1
315.21106	4.1
323.23724	12.6
333.22183	21.4
341.24734	18.3
351.23160	64.9
359.26050	2.9
369.24246	64.7
370.24905	2.9
387.25357	25.3
388.25684	3.0
415.28775	4.4
425.26868	8.9
427.54422	2.6
443.27908	90.3
444.28262	4.2
461.28979	68.4
462.29443	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	461.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00901	1.0
53.03949	5.7
55.01867	5.9
55.05512	27.4
57.03424	5.1
57.07061	2.2
58.60957	1.2
59.04968	1.9
65.03926	2.1
67.05504	48.3
67.22639	1.0
68.05835	1.3
69.03418	3.5
69.07070	15.1
70.06602	1.6
70.45322	2.8
71.04974	4.6
77.03892	1.2
79.05489	42.9
79.17043	1.2
81.02932	1.4
81.03416	38.8
81.07052	50.7
83.04964	8.9
83.08612	20.0
85.02898	2.2
85.06540	2.3
91.05480	41.8
92.05811	1.6
93.07039	36.9
95.04969	30.0
95.08599	25.9
97.02859	2.5
97.06525	6.3
97.10162	11.0
99.08073	2.0
103.05473	1.8
105.03391	1.7
105.04494	2.1
105.07027	33.5
107.04945	14.5
107.08591	18.3
109.06509	7.6
109.10149	10.7
111.04429	1.5
111.08064	7.1
113.05990	1.2
115.05423	4.9
116.73615	1.2
117.07008	16.4
118.07371	1.2
119.04900	2.4
119.08583	18.6
120.04449	1.4
121.06487	11.7
121.10138	13.5
123.08077	4.3
123.11655	2.1
125.09624	9.5
128.06203	4.0
129.07002	17.2
130.07741	1.7
131.04935	3.5
131.08566	28.9
133.06485	9.8
133.10120	12.0
135.08064	5.9
135.11694	4.3
137.09659	1.4
141.06995	5.8
142.07777	2.2
143.08559	14.9
145.06493	10.9
145.10107	10.0
147.08034	9.7
147.11650	6.4
149.08571	1.1
149.09583	7.4
149.13240	12.6
151.11223	1.6
152.78325	1.1
153.06970	1.6
153.09056	2.2
155.08542	8.4
157.06476	2.5
157.10141	11.2
158.05881	1.6
159.08034	6.5
159.11678	11.5
161.09578	3.4
161.13240	1.7
162.09959	1.1
163.11105	2.4
167.08585	2.7
169.10223	6.9
171.08034	2.2
171.11682	5.5
173.09601	3.1
173.13220	3.1
175.11208	5.1
177.12772	4.0
181.10095	4.2
183.11684	3.9
185.13216	3.4
187.11206	2.1
187.14912	2.8
189.09158	1.3
189.11209	5.6
193.12311	12.8
195.11749	2.1
195.13704	1.5
197.09668	1.2
197.13260	4.0
199.11134	2.5
199.14819	3.6
200.10703	3.9
201.11099	1.6
201.12778	3.6
203.14383	1.8
207.11719	2.1
209.13335	2.2
211.11246	2.5
211.14708	1.3
213.12796	2.7
215.14351	3.5
215.70901	1.3
217.15892	7.6
219.13773	2.6
221.13286	1.7
221.15257	1.2
225.12700	1.3
227.12671	2.9
231.13771	2.1
233.15434	2.3
239.14375	2.0
249.14735	2.1
253.15828	1.3
257.15439	3.5
259.16959	1.7
271.16849	1.7
323.23700	3.1
333.22028	1.9
341.24863	3.9
343.22678	4.1
351.23157	16.2
361.23843	2.2
369.24213	35.1
370.24545	2.4
387.25302	18.8
405.25961	3.9
407.25708	1.2
417.26480	4.9
425.26968	2.9
429.78012	1.2
443.27875	32.6
444.28220	3.6
461.28928	100.0
462.29263	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	461.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37896	2.8
53.03941	6.9
55.01876	7.3
55.05507	17.6
57.03423	7.2
57.07072	6.4
60.63903	3.0
61.02937	3.9
67.05502	17.9
68.99774	4.1
69.03429	28.6
69.07066	33.9
69.54718	3.3
69.60368	14.1
70.06581	10.6
71.05005	15.6
72.08127	3.7
73.02925	4.3
79.05505	15.3
81.03417	27.4
81.07057	44.9
83.04990	9.3
83.08621	12.0
84.08151	8.5
85.02902	44.9
85.06560	7.7
87.00848	18.0
91.05485	13.7
93.07048	30.7
94.19176	2.9
95.04967	8.1
95.08608	52.5
96.09013	4.7
97.02896	17.8
97.06525	16.7
97.10154	7.9
99.04459	8.1
99.08115	9.5
103.05447	4.6
105.01885	8.3
105.07027	14.1
107.04945	7.1
107.08596	41.4
109.02877	21.8
109.06526	10.8
109.10148	23.4
111.04398	3.4
111.08105	10.5
111.11751	4.6
117.01870	3.5
119.08585	14.1
121.02879	5.2
121.06505	5.7
121.10153	47.8
123.08096	6.7
123.11726	10.1
125.06010	6.3
125.09637	7.4
127.03915	24.9
131.04924	3.8
131.08556	7.2
133.10150	7.5
135.11688	17.8
137.13269	13.0
139.11203	14.0
143.08609	5.2
145.05002	9.8
145.10129	10.7
147.04388	3.6
147.11679	4.1
149.13231	6.1
151.07623	4.0
157.10129	4.2
159.02933	6.1
159.11705	4.5
163.11174	3.6
169.10205	5.0
175.14838	4.4
177.16393	100.0
185.13281	5.7
193.05005	3.9
195.13777	5.0
195.17447	31.5
199.14821	3.3
207.06586	4.5
211.17058	3.3
213.14897	5.9
213.18539	30.5
217.15843	5.3
231.04979	3.6
299.09473	5.2
299.12787	24.6
391.95471	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	461.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37896	2.8
53.03941	6.9
55.01876	7.3
55.05507	17.6
57.03423	7.2
57.07072	6.4
60.63903	3.0
61.02937	3.9
67.05502	17.9
68.99774	4.1
69.03429	28.6
69.07066	33.9
69.54718	3.3
69.60368	14.1
70.06581	10.6
71.05005	15.6
72.08127	3.7
73.02925	4.3
79.05505	15.3
81.03417	27.4
81.07057	44.9
83.04990	9.3
83.08621	12.0
84.08151	8.5
85.02902	44.9
85.06560	7.7
87.00848	18.0
91.05485	13.7
93.07048	30.7
94.19176	2.9
95.04967	8.1
95.08608	52.5
96.09013	4.7
97.02896	17.8
97.06525	16.7
97.10154	7.9
99.04459	8.1
99.08115	9.5
103.05447	4.6
105.01885	8.3
105.07027	14.1
107.04945	7.1
107.08596	41.4
109.02877	21.8
109.06526	10.8
109.10148	23.4
111.04398	3.4
111.08105	10.5
111.11751	4.6
117.01870	3.5
119.08585	14.1
121.02879	5.2
121.06505	5.7
121.10153	47.8
123.08096	6.7
123.11726	10.1
125.06010	6.3
125.09637	7.4
127.03915	24.9
131.04924	3.8
131.08556	7.2
133.10150	7.5
135.11688	17.8
137.13269	13.0
139.11203	14.0
143.08609	5.2
145.05002	9.8
145.10129	10.7
147.04388	3.6
147.11679	4.1
149.13231	6.1
151.07623	4.0
157.10129	4.2
159.02933	6.1
159.11705	4.5
163.11174	3.6
169.10205	5.0
175.14838	4.4
177.16393	100.0
185.13281	5.7
193.05005	3.9
195.13777	5.0
195.17447	31.5
199.14821	3.3
207.06586	4.5
211.17058	3.3
213.14897	5.9
213.18539	30.5
217.15843	5.3
231.04979	3.6
299.09473	5.2
299.12787	24.6
391.95471	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	461.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.6
55.01869	19.3
55.05267	2.0
55.05509	27.5
57.03433	14.2
57.07062	6.0
59.04991	3.9
61.02923	8.1
67.05222	1.1
67.05504	11.6
68.99776	5.5
69.03429	73.7
69.07067	51.7
69.33662	3.8
69.34088	8.3
70.06587	1.7
71.04983	14.2
73.02925	13.9
79.05467	6.5
81.03419	65.2
81.07059	27.6
83.04990	14.0
83.08621	7.9
84.08115	1.2
85.02903	100.0
85.06532	18.1
86.03242	1.3
87.00313	2.4
87.00830	43.9
87.04474	2.3
91.03947	2.7
91.05469	4.6
93.07059	13.8
95.04945	1.7
95.08605	41.4
97.02299	2.2
97.02893	33.5
97.06522	7.0
97.10164	11.0
99.04454	23.8
99.07498	2.5
99.08094	36.4
101.02365	1.5
103.03913	1.6
105.01202	1.9
105.01862	29.2
105.07012	5.4
107.08588	24.9
109.02877	59.7
109.09386	1.8
109.10142	18.7
111.08057	5.2
111.11713	8.5
113.09640	11.4
115.03914	1.9
117.01840	6.9
119.08580	2.6
121.02841	1.8
121.09336	2.3
121.10142	29.3
123.08080	1.7
123.11691	10.6
125.09617	11.6
127.03916	94.9
127.11214	2.5
128.04254	1.6
128.68242	1.3
129.01845	9.0
131.08546	1.3
133.10123	1.3
135.11691	16.2
137.13255	17.7
139.11179	7.4
145.04953	34.4
147.02901	7.1
149.13261	5.3
151.14755	7.1
153.12749	19.4
159.01558	2.3
159.02882	35.7
165.09044	1.5
177.03978	2.5
177.16391	68.0
178.04974	2.7
178.16711	2.6
184.82727	1.1
189.03960	3.0
195.17444	72.9
196.17766	2.2
213.03926	4.2
213.18498	55.1
214.18704	1.7
219.17349	1.4
231.05002	23.3
237.18549	1.6
246.47797	1.3
249.05902	1.5
425.21616	1.9
443.16534	1.8
461.23962	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	461.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84694	1.4
53.03945	12.2
55.01866	16.2
55.05266	2.6
55.05510	30.8
56.05011	1.9
57.03437	14.8
57.07071	4.8
59.04992	2.9
61.02913	8.9
67.05504	14.9
68.99781	6.3
69.03428	59.6
69.07067	55.6
69.27217	16.7
71.04992	14.0
73.02909	10.2
79.05495	9.7
81.03419	50.6
81.07063	34.4
83.04985	12.7
83.08609	10.8
84.08123	2.0
85.02905	100.0
85.06166	1.8
85.06552	19.5
87.00317	2.1
87.00832	41.7
87.04470	2.8
91.03970	3.3
91.05489	7.1
93.07037	18.4
95.04970	3.1
95.08607	49.6
97.02892	42.2
97.06521	9.5
97.10163	13.9
98.21465	2.8
99.04453	19.8
99.08096	39.3
100.38464	1.6
105.01202	2.3
105.01873	25.8
105.03381	12.7
105.07020	6.5
107.04954	3.7
107.08591	29.8
109.02881	57.3
109.06460	2.2
109.10160	21.2
111.08069	5.9
111.11714	12.1
113.09657	17.5
115.03828	1.8
116.75041	2.2
117.01840	4.0
117.06985	3.8
119.08579	2.7
120.15815	1.6
121.02881	3.1
121.10144	35.7
122.06036	2.0
123.11698	13.5
125.09608	10.2
127.03915	96.1
127.11127	1.8
129.01836	6.0
133.10088	2.4
135.04411	8.8
135.11673	17.5
137.13240	21.4
139.11150	8.8
145.04948	30.7
147.02840	3.9
147.07993	2.0
147.11584	2.0
149.13245	4.0
151.03873	2.5
151.14853	5.2
153.12727	27.3
157.12225	2.6
159.02913	30.7
159.04202	1.4
163.03905	1.8
177.03937	2.5
177.12889	2.3
177.16389	78.3
178.04993	10.1
181.01289	10.2
189.03979	2.6
195.17453	87.9
196.17746	2.6
196.31877	1.8
211.09706	2.2
213.03967	3.2
213.18491	61.8
231.04979	19.9
255.13660	2.3
271.13348	4.7
281.13007	4.4
297.03925	7.6
299.05481	78.9
300.05811	6.0
300.15820	4.6
315.04871	4.4
327.64435	1.8
461.24106	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	461.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.8
53.11039	2.0
55.01868	17.7
55.05513	30.0
57.03445	11.4
57.07064	6.0
59.04993	3.1
61.02915	5.8
66.90027	2.0
67.05501	15.0
67.20984	1.9
68.99788	5.4
69.03429	65.1
69.07066	57.2
69.77208	5.2
69.77619	7.1
70.06602	4.5
71.05001	16.6
71.08623	2.1
73.02917	11.1
79.05484	11.4
81.03417	55.4
81.07054	35.0
81.66653	2.1
83.01334	2.1
83.04973	16.1
83.08611	8.1
84.08141	2.0
84.13021	2.2
85.02904	99.2
85.06538	24.6
87.00828	42.5
87.04467	2.4
91.03983	5.0
91.05486	5.1
93.07049	18.2
95.04964	5.6
95.08607	57.2
97.02895	42.7
97.06513	11.5
97.10183	17.3
98.21493	3.7
98.71767	1.8
99.04453	21.6
99.08088	38.9
105.01866	28.5
105.03403	6.5
105.07030	6.7
107.08591	31.6
109.02136	3.6
109.02882	64.1
109.06454	2.1
109.10161	25.4
109.40351	1.8
111.08074	4.6
111.11720	13.4
113.09639	13.3
117.01881	7.2
117.06992	3.1
119.08577	2.2
121.02834	3.4
121.10146	37.6
122.06057	1.9
123.08042	3.0
123.11726	14.7
123.36763	1.9
125.09618	12.0
126.70019	1.8
127.03916	100.0
127.11145	3.5
129.01842	5.7
131.08553	3.0
131.24947	1.8
133.10144	2.2
135.04430	11.3
135.11673	21.3
137.13260	20.5
139.11188	8.0
145.04967	28.3
147.02866	6.0
149.13264	5.5
151.03967	2.0
151.14821	4.2
153.12749	23.8
159.02884	33.6
173.09634	3.5
175.14821	2.3
177.03973	2.3
177.16397	84.2
178.04945	14.1
181.01320	7.8
195.17450	94.1
196.17809	3.1
213.03874	2.8
213.18492	62.4
213.20462	4.1
219.17401	2.7
231.05042	19.7
244.09546	3.3
271.13312	6.6
281.12808	4.4
297.03943	6.4
299.05499	64.8
300.05829	5.2
300.16031	6.4
315.05066	5.0
461.23819	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	460.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18418	1.2
53.03952	1.6
55.05512	1.6
57.03434	3.1
61.02929	2.3
67.05515	2.0
69.03431	10.8
69.07066	2.7
70.06599	3.7
71.04980	2.7
71.14306	1.2
72.00876	18.4
72.42533	1.5
79.05490	3.7
81.03428	5.9
81.07035	3.0
83.04971	1.7
84.08155	2.7
85.02909	18.7
91.05481	4.7
93.07048	4.9
95.08601	3.5
97.02905	4.8
98.20692	2.0
105.01926	1.6
105.03381	9.1
105.07030	5.0
107.04970	2.2
107.08589	6.8
109.02884	4.5
109.10158	6.2
119.08562	4.5
121.10120	6.4
125.87807	1.4
127.03913	6.3
133.02901	3.0
133.06505	1.6
133.10136	4.1
135.04440	10.7
141.06967	1.8
145.04970	2.7
145.06479	1.9
147.04436	3.6
151.03894	1.6
153.06946	1.7
155.08553	2.6
159.04384	2.0
165.06975	1.6
167.08607	2.2
170.07347	2.4
171.08130	1.5
175.03915	4.9
175.14795	1.5
176.04297	2.3
176.15172	1.9
177.05525	1.9
178.04987	13.0
178.07700	1.7
179.08549	1.8
181.06474	1.6
183.08090	8.2
184.08826	2.2
185.09570	6.4
192.06578	7.0
194.11887	1.7
195.08070	4.8
195.17505	2.6
196.08920	3.1
197.09702	3.2
199.11224	1.6
209.09537	1.6
210.10481	2.8
211.07602	13.0
211.11244	11.2
213.18495	2.2
225.09213	1.8
225.12781	4.4
226.13530	9.3
227.14281	3.8
229.55879	1.6
235.11017	1.5
238.08649	10.4
242.08101	15.1
253.12285	18.7
256.09579	8.4
256.14090	2.6
265.12183	2.1
266.11853	2.1
280.13306	3.0
281.14178	3.3
287.35318	1.6
298.14404	100.0
299.14703	2.4
310.14594	6.3
337.19077	5.5
386.63104	1.3
424.86499	1.4
460.20294	1.7
473.13278	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97964	0.9
53.03950	8.4
55.01871	12.0
55.05496	1.0
57.03430	5.3
60.04528	7.6
61.02927	6.1
64.38155	1.0
67.05513	1.9
68.99787	3.0
69.03430	30.6
69.07040	1.5
69.31008	1.0
69.31304	9.7
70.06590	1.6
71.04974	4.5
73.02908	7.8
79.05490	2.6
81.03416	30.5
81.07047	3.4
83.01366	1.3
83.04967	1.1
84.04488	2.8
84.08098	1.4
85.02905	85.2
86.09725	1.3
87.00825	33.8
88.04006	1.4
91.03959	1.7
91.05460	4.0
93.07035	1.8
95.04955	1.4
95.08591	3.4
96.08958	1.4
97.02886	32.0
97.03519	1.5
98.06046	1.7
99.04459	12.2
100.60857	1.1
101.02332	1.1
103.05457	6.0
105.01861	29.0
105.07032	5.2
106.04975	1.2
107.04953	8.3
107.08607	2.3
108.04465	11.7
108.08921	1.0
109.02877	33.5
109.10149	3.4
112.79829	1.1
115.03938	1.5
117.01825	4.4
117.07111	1.2
119.08546	2.2
120.08013	1.1
120.08858	1.3
126.05555	4.9
127.03914	58.7
128.04152	1.5
129.01823	3.0
131.04907	2.1
133.10080	2.0
135.08054	6.9
135.11665	2.4
139.03900	2.9
141.07133	1.1
144.10204	3.1
145.04959	27.6
147.02847	3.1
151.07573	1.2
154.06245	29.3
159.02882	19.4
163.07545	28.0
167.03285	1.5
167.07094	1.3
175.11545	1.1
176.15131	2.0
180.07916	1.6
194.11708	1.6
195.10170	100.0
196.10574	1.8
200.12802	3.6
212.05533	1.1
213.03949	3.5
230.06662	3.1
231.04990	12.5
234.14903	2.6
241.31342	1.0
248.07610	5.5
249.06055	1.5
252.15938	3.2
255.14023	1.2
256.14172	2.7
266.08444	1.4
280.15491	1.7
298.14212	3.0
298.17035	1.4
298.19812	2.3
298.23074	1.2
359.43985	1.1
362.17850	1.4
424.30670	1.5
442.31723	2.0
460.20224	2.4
460.27335	2.0
460.33206	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	0.9
69.03414	1.6
70.06594	1.4
71.04424	2.1
72.08154	0.8
76.26710	0.7
81.03428	1.1
82.77558	0.7
85.02904	1.8
89.03934	5.7
90.88165	0.9
91.05479	1.3
91.24213	0.8
93.07030	1.3
95.08595	1.2
97.02930	1.1
105.03349	2.3
109.02843	1.3
111.08018	0.8
117.03384	18.0
119.08550	1.0
127.03896	1.3
133.10150	1.0
135.04373	1.5
138.09184	1.3
145.02849	46.7
149.05966	7.0
163.03902	1.0
177.05475	100.0
178.05916	1.2
186.05486	1.0
195.06557	1.5
256.14182	2.1
298.14880	1.4
460.32944	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83310	2.1
58.90054	1.9
67.01836	1.8
69.03419	6.0
70.06593	19.7
71.51048	2.5
71.53333	1.8
72.08156	24.5
74.06064	4.0
83.48257	2.1
84.04488	8.5
84.08145	21.4
85.02901	7.7
86.09700	23.1
88.03996	2.3
91.05441	2.2
97.02864	6.2
98.97546	3.3
101.07091	2.9
102.05519	2.2
103.05467	6.5
109.02891	2.9
110.07165	2.7
112.08716	4.4
117.05470	4.0
120.08105	100.0
121.08444	2.4
122.05988	3.0
123.04467	2.2
127.03929	4.9
128.07114	2.4
129.10240	6.2
130.05032	5.2
131.04887	3.7
136.06183	4.4
136.07564	6.9
138.05493	2.6
143.50410	2.1
145.04987	2.3
147.04401	4.2
147.07762	1.9
149.06020	3.6
152.07108	2.0
154.05003	2.5
164.07027	5.0
166.07304	2.6
166.08635	41.4
233.24069	2.1
243.06039	2.4
261.07147	3.9
281.09235	2.0
314.09097	4.5
326.10397	2.2
333.51080	2.0
350.04578	1.9
384.87067	2.4
397.73883	2.2
443.28262	2.4
460.25256	5.7
460.30737	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	460.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.1
55.05507	1.8
55.17206	0.7
56.05027	5.8
57.03435	0.9
59.04988	1.0
60.04514	2.3
67.05523	1.2
69.03447	4.0
69.07072	1.5
70.06599	11.3
71.04987	1.2
71.51412	1.3
72.08165	7.0
74.06084	100.0
81.03410	3.5
82.06562	1.0
84.04509	6.7
84.08154	4.6
85.02927	4.3
86.06072	1.2
86.09708	14.7
87.04460	0.8
88.03992	1.6
95.04996	1.1
97.02885	3.5
98.06052	7.9
101.06056	1.0
102.05554	7.7
109.02906	5.8
110.07155	5.1
116.07097	48.9
116.98604	1.0
117.05479	1.6
120.06588	16.7
121.02895	0.8
127.03940	3.8
128.07069	2.8
128.45674	0.9
129.05472	1.7
129.10257	3.8
130.05006	0.9
130.08630	1.4
133.06090	2.0
136.07574	2.4
137.02371	1.2
137.05943	0.9
144.06566	51.8
145.04979	2.5
147.07640	1.6
148.07481	1.0
152.07098	0.8
154.05008	1.7
156.07690	5.5
162.07607	6.4
165.05345	1.1
173.09143	1.3
182.08118	0.9
187.10832	1.5
187.14493	0.9
195.12285	1.6
201.12303	1.6
207.06470	1.0
228.08516	1.9
229.11742	1.2
232.12910	0.8
234.10968	1.2
240.08742	1.6
246.09714	2.4
246.14485	2.3
264.10635	1.3
270.06927	1.3
270.09732	12.0
288.10834	4.2
306.11948	1.1
345.26385	0.8
460.17801	2.3
460.27383	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3833
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
50.22838	7.6
67.05492	17.6
69.07077	20.6
69.50141	66.3
75.56863	10.1
81.07055	36.1
93.07076	16.6
95.08590	55.8
105.03385	11.1
105.07018	23.5
107.08583	30.0
109.10148	39.8
119.08591	29.4
121.10136	100.0
123.11700	19.2
133.10135	21.6
135.11775	10.4
137.13266	31.6
147.11697	27.8
149.13234	17.1
154.87184	9.1
157.52682	8.0
159.11641	9.2
161.13365	15.5
162.09196	8.7
165.12735	9.7
175.14844	14.0
189.16333	12.8
191.18011	12.7
217.15765	12.1
313.25180	11.1
363.59946	8.4
423.36356	47.2
441.37415	40.8
459.38541	14.2
461.94766	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	459.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59401	1.4
55.05502	2.4
67.05504	4.4
69.07051	4.8
69.46495	2.3
69.46895	10.5
73.69038	1.5
79.05495	3.2
81.07050	9.6
83.08630	1.5
86.08685	1.3
91.05479	3.4
93.07047	5.6
95.08591	10.2
97.06503	1.6
105.03407	3.3
105.07047	10.3
107.08598	5.2
108.66594	1.4
109.10157	7.3
119.08557	4.0
121.10148	100.0
122.10491	2.7
123.11721	7.7
126.16910	1.4
133.10132	6.6
135.11746	2.6
137.13229	4.5
139.11165	2.7
147.11707	9.2
149.13260	1.9
163.14850	2.1
165.12756	33.8
165.14124	2.1
183.13791	21.8
184.49896	1.6
191.91844	1.6
259.24115	2.2
312.33139	1.4
319.06482	1.5
423.35901	3.1
441.37311	6.7
459.21634	5.2
459.31583	1.7
459.38168	8.7
460.22491	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	459.3834
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
53.03946	1.0
55.05511	10.8
57.07087	5.6
65.03936	1.3
67.05510	23.3
69.07071	24.7
69.41657	6.1
71.04984	2.6
71.08636	1.7
79.05495	8.4
81.07060	42.8
83.08632	8.4
85.06541	3.1
91.05465	3.9
93.07049	13.3
94.62759	0.8
95.04988	1.8
95.08611	100.0
96.08990	1.0
97.10179	7.6
98.49836	0.7
99.08087	3.7
105.03410	3.7
105.07053	4.2
106.07555	0.9
107.08600	23.3
109.06523	1.3
109.10159	65.3
110.10444	0.8
110.57346	0.8
111.08109	1.0
111.11726	13.9
113.09650	24.5
119.08567	4.6
121.10147	19.7
121.11037	1.0
123.08060	0.9
123.11707	28.5
125.06007	2.0
127.03998	0.8
127.11122	1.0
133.10133	3.0
135.08044	1.6
135.11710	15.3
137.13258	19.3
141.09105	19.5
145.10155	1.6
147.08099	0.7
147.11726	2.1
149.09657	1.1
149.13254	16.8
151.14838	3.3
159.10214	2.6
159.11684	1.5
159.19400	0.7
161.13290	2.1
162.09149	1.9
163.14822	12.7
165.16400	0.8
172.92543	0.8
173.13246	1.1
175.14844	1.7
177.16396	8.5
179.18105	1.0
182.08949	0.9
189.16458	2.5
191.14394	0.8
191.17958	10.3
203.17950	1.6
205.19531	25.6
217.19498	1.9
219.21187	3.0
231.21135	2.5
245.22734	1.6
275.27295	0.9
277.21838	1.2
301.28912	9.7
319.30072	3.2
441.37769	5.6
454.20239	0.8
459.38434	76.1
460.38632	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	459.3834
Annotation	Longispinogenin
Peak:m/z	Relative Intensity
55.01872	1.6
55.05511	8.2
56.73679	1.1
57.03414	1.2
57.07068	2.3
62.28516	1.0
67.05515	10.2
69.03456	1.1
69.07072	19.4
69.51728	3.5
69.52160	4.9
71.05001	1.5
79.05495	8.8
81.07054	16.8
83.08635	6.3
85.06557	1.9
91.05484	6.6
93.07049	25.8
95.04985	2.1
95.08609	39.2
97.06514	4.4
97.10156	2.9
98.21467	2.2
99.08094	5.6
101.05967	1.6
105.03415	8.8
105.07050	13.4
106.03736	4.1
107.08592	33.3
109.06529	1.4
109.10156	15.9
111.08086	3.7
111.11720	9.9
113.09669	3.2
117.07018	1.7
119.08583	14.8
120.08897	1.4
121.09329	2.0
121.10152	28.9
123.08040	1.6
123.11703	15.7
125.09671	1.6
131.08582	4.7
133.10144	15.9
135.11685	16.6
137.13228	2.2
139.11189	1.5
143.08588	1.3
145.10136	11.0
147.11694	13.0
149.13261	18.4
157.10155	4.1
159.11713	16.7
161.10789	1.5
161.13268	7.9
161.75894	1.4
162.09126	7.5
163.09505	4.4
163.11134	1.2
163.14789	5.9
167.14331	9.3
171.11716	3.8
173.13280	7.1
175.14804	4.2
177.16394	13.9
183.11691	1.7
185.13283	3.0
187.14828	10.2
189.16345	3.2
191.17908	3.5
193.89952	1.2
195.17447	14.7
197.13237	2.2
199.14845	3.1
201.16393	24.1
202.16603	1.6
203.17981	23.0
213.16426	5.1
215.17966	8.2
217.19543	1.4
220.87794	1.1
223.16891	3.8
225.16418	2.1
227.17941	5.3
229.19543	2.5
233.16553	2.4
233.18959	4.4
234.16846	1.7
235.20596	1.6
239.17998	2.0
241.19469	3.1
251.20082	30.9
253.19522	2.3
267.21133	3.3
269.22864	1.4
279.23056	1.9
281.22656	4.2
283.24219	10.7
337.21112	4.2
405.35208	6.5
423.36237	100.0
424.36508	7.6
441.37308	22.1
442.38055	1.6
459.32947	1.3
459.38507	16.8
460.39072	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77899	2.6
53.03947	6.3
55.01872	12.8
55.05511	44.1
57.03436	8.5
58.47182	3.2
59.22481	2.8
65.03967	4.6
67.05506	69.5
69.03421	13.6
69.07068	25.4
71.04970	4.6
71.40878	5.1
79.05495	51.8
81.03418	21.1
81.07058	69.0
83.04978	9.9
83.08617	21.2
84.04509	14.5
85.02905	3.7
85.06544	5.9
87.04476	4.0
89.65783	2.7
91.05482	54.4
93.07043	60.2
95.04965	25.8
95.08611	73.8
97.06532	11.2
97.10166	27.8
98.77605	3.0
101.06027	6.0
102.05553	8.1
105.03391	45.4
105.04496	4.4
105.07030	65.0
106.03725	8.0
107.04954	21.5
107.08597	86.3
109.06528	12.7
109.10169	50.0
111.08081	5.8
115.05497	3.7
117.07033	26.5
119.04974	4.1
119.08585	62.4
121.06522	10.6
121.10153	40.6
123.08070	7.8
123.11728	12.6
125.09637	61.1
128.06215	6.9
129.06970	19.6
131.08574	44.5
133.06528	9.0
133.10141	50.9
134.05965	2.9
135.04440	3.9
135.08073	11.1
135.11699	24.8
137.09651	6.9
137.13283	5.5
141.07031	5.8
142.07770	4.1
143.08522	13.5
145.06525	12.9
145.10130	39.5
147.04454	3.6
147.08069	9.1
147.11682	31.1
149.09647	5.8
149.13232	17.2
151.11235	12.3
153.09119	7.3
155.08543	9.2
157.06555	4.2
157.10124	22.5
159.08089	10.2
159.11696	38.5
161.06006	5.3
161.09645	8.5
161.13258	17.4
162.09142	17.8
163.09499	10.9
163.11258	7.3
163.14940	5.7
165.09108	4.3
165.12776	4.5
167.08533	4.8
169.10190	11.3
170.10878	3.7
171.08072	4.2
171.11694	14.4
173.13232	22.5
175.14836	29.5
176.10739	3.6
177.16432	5.1
179.08569	3.2
181.06667	3.3
181.10194	4.6
183.11752	6.4
185.09651	3.5
185.13274	11.2
187.11232	6.6
187.14822	20.6
189.11258	8.0
189.12799	3.2
189.16461	10.5
191.14355	5.8
193.12260	10.2
193.15981	13.2
195.11633	5.6
197.13263	8.0
199.11157	4.4
199.14738	16.1
200.07068	23.4
201.12737	3.4
201.16409	24.3
203.14378	5.6
203.18016	6.3
205.10344	3.4
205.15945	11.1
207.13850	5.0
207.17523	4.0
209.13484	4.4
209.15405	9.2
211.14818	6.7
213.12756	5.9
213.16479	8.0
215.14380	9.0
215.17987	8.2
219.17493	15.2
221.15361	4.1
223.11191	5.1
225.16336	4.5
227.17924	4.3
231.17415	3.3
233.15466	8.9
234.16820	6.5
239.18141	4.7
243.13824	3.4
259.56042	3.0
271.17230	3.2
273.14941	5.6
273.18283	2.9
279.21091	4.5
287.16534	5.2
297.22162	4.2
311.23639	5.0
315.23129	6.2
317.24997	5.9
329.24857	7.6
337.21082	10.8
339.23203	5.6
349.21759	12.3
357.24243	8.5
367.22650	27.5
368.14609	2.9
385.23737	38.8
403.24841	9.0
405.31607	12.4
411.32755	5.2
423.32605	42.1
441.27313	6.3
441.33792	25.7
459.27536	100.0
459.34250	4.6
460.28180	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	459.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
54.57041	1.3
55.01867	8.1
55.05269	1.7
55.05511	25.6
55.89653	1.2
57.03422	5.6
57.07047	2.2
59.99398	1.4
61.02926	1.4
61.61028	1.5
63.85817	1.3
65.03944	2.7
67.05502	31.1
69.03420	11.4
69.07072	15.1
70.06577	4.2
71.04979	4.4
71.53394	2.2
72.08163	1.8
73.52332	1.3
74.13332	1.3
77.03919	1.6
77.75322	1.3
79.05075	2.5
79.05493	35.3
81.03419	25.9
81.07053	35.8
83.04971	5.7
83.08613	13.0
84.08150	2.6
85.02889	8.2
85.06535	4.0
86.09703	2.9
87.04457	2.3
87.14638	1.3
91.05479	32.1
93.07041	30.9
95.04967	16.8
95.08612	25.8
97.02885	5.2
97.06532	22.4
97.10163	16.3
99.04440	3.6
99.08115	1.4
103.05447	3.1
105.03362	10.3
105.07027	34.7
107.04961	16.4
107.08593	27.4
109.02873	9.3
109.06528	8.9
109.10161	17.6
110.06026	4.6
111.04436	3.1
111.08035	4.3
113.06020	1.9
115.05438	4.6
117.07017	13.3
119.04922	3.7
119.08573	26.9
121.06525	11.6
121.10124	13.9
123.04436	4.0
123.08078	7.4
123.11697	5.4
125.09634	12.9
127.03922	6.9
128.06259	3.8
129.07021	14.0
130.06532	2.1
131.04909	4.3
131.08568	21.3
133.06497	8.4
133.10127	23.1
134.10576	1.4
135.04387	2.8
135.08072	10.8
135.11688	9.8
137.05977	4.2
137.09576	4.5
138.05498	3.5
139.07541	13.2
141.06966	5.1
142.07851	3.2
143.08533	13.3
144.05708	2.4
145.05339	2.0
145.06479	19.4
145.10117	17.9
147.04411	4.4
147.08044	6.3
147.11700	11.9
148.04311	1.3
149.05983	3.5
149.09599	6.4
149.13312	2.3
151.03903	4.1
151.07512	5.0
151.11194	2.8
153.09128	4.2
154.11333	1.5
155.08582	8.7
156.09293	3.6
157.06433	4.8
157.10126	17.5
159.08063	8.5
159.11703	11.4
161.05971	4.8
161.09610	5.6
161.13269	4.4
162.09145	5.1
163.07518	1.9
163.11176	6.0
165.09129	9.8
165.12814	1.8
167.07068	4.8
167.08517	3.4
169.06477	2.1
169.10088	8.6
171.08034	8.5
171.11641	14.4
173.05934	1.7
173.09573	5.5
173.13264	12.3
175.03932	3.8
175.07527	2.6
175.11139	5.8
175.14818	4.1
177.05431	2.0
177.09088	2.8
179.08511	2.2
179.10725	3.5
181.10155	3.8
183.07927	1.9
183.11649	6.8
185.08078	8.9
185.09637	8.5
185.13182	11.6
187.11147	3.5
187.14839	6.4
189.09131	4.3
189.11188	5.7
189.12743	3.6
191.07040	2.0
191.10692	2.3
193.10529	2.4
193.12207	12.6
195.08055	3.5
195.11775	6.8
197.09598	3.6
197.13231	6.6
198.06810	1.9
199.11205	3.8
199.14772	7.1
200.12793	4.3
201.09102	4.7
201.12781	3.2
203.10675	2.5
203.14270	2.1
205.12234	4.5
207.06538	2.4
207.11729	2.8
207.13667	2.2
209.09773	2.3
209.13255	4.6
211.11276	2.8
211.14838	5.6
212.07040	4.7
213.09117	10.6
213.12743	4.4
213.16347	3.5
214.08571	2.7
215.10619	3.3
215.14299	4.1
217.12219	5.4
219.02835	5.6
219.13953	1.9
221.11526	1.7
221.13438	1.9
223.11263	2.6
223.14920	2.2
225.09293	2.1
225.12746	3.9
225.16371	4.5
227.10635	5.5
227.14270	4.1
227.17943	5.8
231.13783	5.4
233.15372	6.6
237.12724	5.6
237.16486	2.2
239.14423	2.1
239.18016	1.8
240.11452	7.2
243.10165	2.6
243.13832	2.6
244.06023	2.1
245.15367	3.7
249.14844	2.1
251.14261	2.3
251.17937	1.6
253.15857	1.9
255.10381	4.7
255.13799	70.8
256.14063	6.3
257.15405	3.1
261.04019	4.8
265.12042	1.4
265.15616	1.5
269.15356	7.7
269.19058	4.6
271.16888	3.4
273.14850	15.7
287.16663	3.0
287.20013	9.4
291.15500	1.7
297.11719	2.0
297.14902	21.8
298.14627	2.7
303.05081	1.8
313.17770	2.1
327.19592	2.3
327.23221	1.9
337.20178	2.9
339.08490	2.0
339.23145	4.4
349.21622	10.4
351.23145	1.7
355.18759	1.7
357.24350	3.4
362.17963	4.2
367.22626	26.3
371.22372	1.8
377.24768	3.4
381.24252	3.4
383.14822	1.8
385.23709	33.8
386.24033	2.4
395.25745	4.7
399.25125	7.9
403.24796	5.6
405.24191	2.7
413.26764	4.9
423.25052	8.0
441.19907	4.0
441.26233	16.5
459.20129	15.3
459.27301	100.0
459.72281	1.7
460.21460	2.1
460.27609	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	459.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80575	1.5
51.27331	1.4
53.03931	3.9
55.01872	7.3
55.05275	2.1
55.05514	29.8
57.03423	6.2
57.07062	2.1
59.05008	1.9
65.03931	3.5
67.05508	31.3
69.03427	18.0
69.07079	16.2
70.06578	4.3
71.04990	13.5
72.08176	2.2
73.02912	1.6
79.05489	37.8
81.03419	23.2
81.06596	2.1
81.07057	37.7
83.04986	8.6
83.08618	17.2
84.08173	1.8
85.02900	8.6
85.06535	6.9
87.00800	2.0
87.04454	5.1
91.05475	33.8
93.06486	2.2
93.07044	29.8
95.04966	15.8
95.08605	31.6
97.02879	4.6
97.06525	16.3
97.10172	17.1
98.21486	2.5
99.04451	4.3
103.05456	2.0
105.01865	2.1
105.03413	3.2
105.07029	35.3
107.04974	13.2
107.08592	30.3
109.02866	6.4
109.06519	11.9
109.10168	20.0
111.04419	2.9
111.08083	6.0
113.06017	1.5
115.03932	2.0
115.05447	4.3
117.07037	13.3
119.04958	2.4
119.08581	40.4
121.02876	1.5
121.06502	15.9
121.10153	25.7
123.08087	11.7
123.11750	11.3
124.07297	1.5
125.09615	12.8
126.11522	1.5
127.03905	6.9
128.06204	4.4
129.06992	14.5
130.07747	2.0
131.04927	4.6
131.08565	26.9
133.06459	7.8
133.10129	31.4
135.04413	4.0
135.08047	7.3
135.11693	12.9
137.05949	5.0
137.09592	4.7
138.53763	1.5
139.07545	8.4
139.11203	1.5
141.06982	4.0
142.07759	6.1
143.08585	18.9
144.09369	2.3
145.06487	17.6
145.10118	31.1
147.04382	4.0
147.08032	8.6
147.11702	17.2
149.05995	2.6
149.09622	5.9
149.13213	2.3
151.03917	2.3
151.07510	4.4
151.11157	4.0
153.09097	6.4
153.12746	1.9
155.08530	8.2
156.09357	4.1
157.06522	3.3
157.10136	23.7
159.08058	8.2
159.11690	19.2
161.05984	4.6
161.09593	5.5
161.13242	6.9
163.07545	3.8
163.11194	6.5
165.07014	2.0
165.09117	8.2
165.12738	2.6
166.11653	1.6
167.07098	3.9
167.08539	2.9
167.10629	2.1
168.09361	1.7
169.10129	12.8
170.10936	2.0
171.08040	6.7
171.11696	19.2
173.09622	7.0
173.13234	17.4
175.03928	2.7
175.07549	3.4
175.11139	6.9
175.14850	8.5
177.09149	3.6
177.12758	3.4
179.08557	3.9
179.10672	3.4
181.10068	7.9
182.10832	2.2
183.08040	2.9
183.11678	13.5
185.08067	4.2
185.09644	4.4
185.13252	14.1
187.11127	4.2
187.14844	6.0
189.05437	1.9
189.09135	4.4
189.11174	8.1
189.12767	4.9
191.10678	4.5
191.14537	2.1
193.10185	3.9
193.12248	15.4
193.15877	12.7
194.10957	2.3
195.10158	3.0
195.11716	9.5
197.09604	3.7
197.13240	12.5
199.11229	5.0
199.14787	10.9
201.09009	2.7
201.12724	2.2
201.16371	2.1
203.10670	3.6
203.14243	4.1
205.12250	4.2
207.06517	1.9
207.09993	2.2
207.11717	5.3
209.09750	2.5
209.11497	2.1
209.13322	9.5
211.11166	3.9
211.13121	2.5
211.14847	10.0
211.16924	4.1
212.91071	1.5
213.09094	5.3
213.12766	4.9
213.16298	3.7
215.10680	3.3
215.14326	6.2
217.12196	3.8
219.11804	2.0
219.13812	3.9
221.11533	2.2
223.11253	2.6
223.14857	5.6
225.12766	3.2
225.16367	5.5
227.10733	2.9
227.14297	6.6
227.17903	5.1
229.12263	2.8
231.13805	7.0
233.15286	7.7
235.14900	3.3
237.12762	6.2
237.16364	2.8
239.14372	2.9
240.11493	2.2
241.12247	2.4
241.19592	1.9
243.10233	1.8
243.13846	2.6
245.15381	4.4
251.17944	2.0
253.12395	1.8
253.19676	1.9
255.13814	39.7
256.14273	2.4
257.15369	3.2
259.13315	2.1
265.19635	1.8
267.21011	1.8
269.15311	4.4
271.16980	2.6
273.14886	15.5
275.16599	2.5
279.13739	2.2
283.16980	2.7
285.18369	1.9
287.17035	2.5
287.19904	8.6
295.16635	1.7
297.14825	12.6
297.17960	3.1
299.16168	2.9
313.18054	3.1
325.21652	5.4
326.22388	3.1
327.19553	2.5
327.23193	4.0
339.19507	2.5
339.23178	3.2
349.21744	9.7
355.22626	2.3
357.24295	4.7
367.22705	28.6
369.24109	2.6
371.25778	2.2
373.23743	3.5
377.24805	3.8
381.24393	7.7
383.25293	1.8
385.23773	30.4
395.25861	7.0
399.25308	10.5
403.24768	7.0
405.24426	4.5
413.26852	4.4
423.25153	10.8
429.26389	2.4
441.26300	26.4
459.20465	6.8
459.27362	100.0
460.21802	1.8
460.27679	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	459.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01872	8.3
55.05513	54.1
56.96578	0.6
57.03445	5.2
57.07052	1.2
57.71429	0.6
59.04997	1.6
62.88921	0.7
63.02360	0.7
64.83056	0.6
65.03927	2.9
67.05506	43.9
68.70006	0.7
69.03432	4.5
69.07069	14.7
71.04974	2.6
71.51802	1.1
79.05494	51.6
81.03428	4.4
81.07058	38.8
83.04977	6.0
83.08619	29.1
85.06544	2.6
89.41185	0.6
91.05482	41.2
93.03391	1.3
93.07042	25.4
95.04966	8.0
95.08614	14.8
97.06509	2.7
97.10172	50.3
99.08079	1.3
101.09652	1.1
103.05466	22.4
103.77117	0.8
105.03391	8.8
105.07033	31.3
106.03703	1.9
107.04951	7.2
107.07872	1.4
107.08595	26.2
109.06528	4.5
109.10157	10.9
111.08084	3.8
115.05460	12.6
116.06218	2.4
117.07020	56.4
118.07293	0.8
119.04919	1.7
119.08575	18.6
120.38211	0.7
121.06521	4.2
121.10141	5.4
123.04423	1.1
123.08070	3.3
125.09632	43.6
128.06221	8.1
129.07005	30.5
130.07780	0.7
131.04918	5.7
131.08571	43.4
133.06496	9.0
133.10117	6.8
135.08055	9.7
135.11690	1.2
137.05901	0.8
137.09621	2.0
141.06998	11.7
142.07762	2.0
143.04918	1.9
143.08568	15.4
143.10652	2.0
145.06471	14.6
145.09044	1.2
145.10114	13.5
147.08046	4.5
147.11696	2.0
149.09631	5.6
153.07027	2.4
153.09099	5.4
154.07782	3.4
155.08560	17.9
156.09299	2.6
157.06497	6.1
157.10132	6.4
159.08066	7.4
159.11700	5.3
161.05963	1.4
161.09608	1.4
162.09206	3.4
163.09456	1.6
163.11186	1.6
165.07008	2.2
165.09085	0.8
166.07692	1.1
167.08551	7.9
168.09351	2.6
169.06499	1.3
169.10127	13.1
171.08057	5.2
171.10165	2.3
171.11681	7.6
172.08829	0.8
173.09596	3.2
173.11786	1.6
173.13260	4.3
175.11234	1.1
179.08560	2.3
180.09343	1.6
181.10103	4.7
182.10878	1.7
183.08035	1.6
183.10272	0.7
183.11696	2.8
185.09642	3.7
185.13306	5.1
187.11200	2.3
187.14825	19.5
189.11218	29.7
189.12897	1.8
191.08614	1.1
193.10130	2.0
193.12003	1.2
195.08057	0.9
195.11714	5.5
197.09581	2.3
197.13263	18.4
199.11156	3.3
199.14763	1.1
201.12718	1.5
203.14368	1.0
205.10193	1.3
207.11641	2.5
209.13229	3.2
211.11188	1.3
211.14914	1.2
213.12729	6.7
214.08617	1.1
215.14317	100.0
216.10187	1.6
216.14641	1.4
217.12260	0.9
219.11662	1.6
219.13771	0.8
221.13167	2.2
223.11137	2.5
223.14940	1.3
225.12720	1.6
225.16299	1.2
227.12738	35.8
229.15843	1.3
231.13756	1.5
233.13281	1.3
233.15488	2.7
234.16885	1.2
235.14862	1.9
237.12698	2.3
239.14384	1.1
241.12199	5.4
241.15921	1.2
243.13847	1.3
245.13818	3.0
251.14276	2.0
253.15915	2.1
254.08203	1.6
255.13855	2.8
257.15436	2.2
259.13306	2.9
269.15344	3.5
271.16910	7.8
273.14850	2.1
282.07693	1.1
287.16376	2.3
289.18063	2.2
301.18262	0.9
303.21106	0.9
315.16068	1.0
321.22141	3.0
331.20560	2.4
337.20905	1.8
339.23181	5.0
349.21625	16.0
349.25745	1.1
357.24091	1.6
358.91235	0.7
367.22650	39.1
385.18723	1.6
385.23740	26.5
386.24081	0.8
403.24756	6.9
405.24115	1.6
423.25195	4.0
423.32184	0.6
431.28271	1.0
441.26367	71.0
442.26718	2.5
459.27420	95.3
460.27844	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	459.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.1
54.97248	1.2
55.01870	10.8
55.05510	71.2
57.03430	4.7
59.04994	1.3
65.03941	2.6
67.05503	53.4
69.03420	5.5
69.07063	16.6
70.03855	2.4
70.04252	2.2
71.04977	3.8
73.02920	1.3
73.96778	1.2
74.07041	1.1
77.03910	1.3
79.05492	58.0
81.03427	3.1
81.07054	46.5
83.04979	7.5
83.08152	2.2
83.08620	31.6
85.06539	3.5
91.05479	44.0
93.07038	26.9
95.04962	7.9
95.08604	12.7
97.06525	4.3
97.10168	55.1
101.09640	1.4
103.04810	1.5
103.05477	24.0
105.03404	7.7
105.07027	36.1
107.04951	7.2
107.08590	29.9
109.06509	4.9
109.10162	12.8
111.08080	3.4
115.05453	13.2
117.07017	67.3
118.57053	1.3
119.04971	2.1
119.08576	21.1
121.06487	4.0
121.10148	5.3
123.08087	2.2
124.71748	1.1
125.09627	46.8
125.10546	2.3
128.06230	7.4
129.06995	30.2
130.07800	1.2
131.04950	5.9
131.08560	49.4
133.06499	11.1
133.10126	8.3
135.08051	11.2
137.09618	2.1
141.06987	17.7
142.07800	3.3
143.04895	2.5
143.08545	19.8
143.10681	2.5
145.06459	19.3
145.10124	17.3
147.08049	5.5
147.11670	3.1
149.09650	7.5
153.07002	2.2
153.09111	6.3
154.07764	2.6
154.11803	1.4
155.08540	23.6
156.09373	2.6
157.06502	7.5
157.10138	9.2
158.28075	1.4
159.08054	8.7
159.11719	5.4
161.09602	1.8
162.09241	1.8
163.09563	1.3
163.11150	1.3
165.07007	2.6
167.08575	6.6
169.10126	13.3
171.07964	7.3
171.10236	3.1
171.11716	8.5
173.09654	2.7
173.13220	3.1
175.11259	1.7
181.06552	1.2
181.10130	3.5
182.10852	1.4
183.08049	2.2
183.11682	4.1
185.09601	3.5
185.13277	3.8
187.11234	1.9
187.14839	21.2
189.11214	30.9
189.12910	2.0
195.11769	6.0
197.13269	23.4
199.11172	3.1
199.14886	1.9
205.10216	1.9
207.11717	1.6
209.13310	4.7
211.14987	2.5
213.12738	7.3
215.14305	100.0
216.14613	2.7
219.11697	2.4
221.13293	3.7
223.11194	3.2
223.14734	2.1
225.12834	1.6
227.12717	37.0
231.13841	2.7
233.13280	1.8
233.15430	5.2
237.12779	2.8
241.12204	4.8
241.15846	2.0
245.13795	4.3
247.14731	1.8
251.14151	2.0
253.15877	2.2
255.13850	3.8
257.15350	2.1
259.13342	4.3
269.15298	2.2
271.16907	9.0
273.14795	1.8
287.16422	2.1
289.17972	1.6
321.22330	2.4
339.23282	7.8
349.21570	17.7
357.24008	1.7
367.22662	38.4
385.23758	23.7
403.24850	11.8
423.24933	3.0
441.26343	70.8
442.26758	2.5
459.27386	91.7
460.27975	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	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.0
55.05494	3.2
57.03416	1.9
58.43321	0.9
61.03411	0.9
67.05502	5.4
69.03419	5.1
69.07054	4.1
70.65300	3.6
71.04984	2.2
78.27328	0.9
79.05476	3.0
81.03429	5.1
81.07055	8.6
83.04960	2.7
83.08614	2.5
85.02901	8.3
85.06529	1.5
87.00818	4.5
87.11620	0.9
88.45832	0.9
91.05471	3.2
93.07027	5.9
95.04972	2.4
95.08606	13.3
97.02890	2.8
97.06528	3.2
97.10156	2.0
99.04443	1.7
99.08105	1.2
105.01861	2.8
105.07014	5.1
107.04968	1.8
107.08601	7.3
109.02859	3.5
109.06505	2.2
109.10152	18.6
111.08083	10.4
119.08582	12.4
121.10155	8.2
121.82638	1.0
123.08059	11.7
123.11684	2.9
125.09573	2.2
127.03899	4.4
127.11101	1.0
131.08591	1.7
133.10132	10.8
135.08052	1.6
135.11696	14.9
137.09602	21.5
137.13216	2.1
139.11188	1.9
145.04982	1.2
147.11638	2.2
149.02286	1.4
149.09633	1.1
149.13206	3.5
151.14809	2.0
152.46626	1.0
165.12746	3.8
170.69368	0.9
175.14824	20.1
192.75400	1.2
193.15892	17.3
194.16237	1.3
197.11725	1.2
211.16930	100.0
212.17213	3.7
225.09001	1.1
255.13808	8.5
297.14777	2.8
340.51443	1.0
367.22470	1.5
459.20703	1.4
459.27258	3.7
467.57001	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01870	3.0
55.05508	4.0
55.24632	1.1
57.03435	1.3
61.02904	2.1
63.60597	1.2
67.05503	4.9
69.03429	11.0
69.07059	6.3
70.06591	1.2
70.29705	4.6
71.04979	4.9
73.02897	2.6
73.15693	1.1
79.05495	5.4
81.03412	11.1
81.07060	15.6
83.04976	2.5
83.08624	1.3
84.08144	1.7
85.02901	20.4
85.06577	2.7
86.09747	1.3
87.00808	6.5
89.07147	1.1
91.05481	8.9
93.07028	13.6
95.04954	2.3
95.08605	19.3
97.02897	6.5
97.06495	1.3
99.04452	4.0
99.08093	17.5
105.01850	6.6
105.07016	12.6
107.08590	14.4
109.02876	7.5
109.06499	2.7
109.10133	8.2
113.09641	2.7
115.05511	1.6
117.07010	1.4
119.08578	54.1
120.08929	2.1
121.06509	1.6
121.10152	4.6
123.08075	1.9
123.11694	5.5
125.09599	1.5
127.03909	13.3
129.01826	1.3
129.06973	1.4
131.08594	1.7
133.10123	85.7
134.10495	2.7
135.11682	22.1
137.09621	3.2
142.07739	1.3
143.08560	2.5
145.04962	3.5
145.06529	2.0
145.10147	2.9
147.11702	4.1
149.13254	1.5
151.11169	1.6
154.08580	1.3
155.10602	1.8
157.10100	1.4
159.02888	3.4
159.11755	1.3
161.05952	1.3
167.07068	1.3
171.08070	2.0
172.08826	1.3
173.09586	1.8
175.03964	1.8
175.14819	100.0
176.15205	2.6
183.08064	1.4
185.09651	3.8
193.14224	2.0
193.15894	24.8
195.08107	1.8
201.09134	2.7
207.06404	1.7
211.16934	19.7
213.09094	6.5
225.09088	1.8
227.10687	4.0
227.14255	1.4
237.12805	5.6
240.11325	5.8
241.12186	1.1
243.10187	1.8
255.10051	2.7
255.13791	59.8
256.14169	3.7
269.15369	5.0
273.14832	3.3
284.52524	1.2
297.11548	2.2
297.14786	19.4
315.15848	1.5
459.20453	8.2
459.26312	1.7
460.07999	1.1
460.19489	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.05518	2.9
57.03434	1.4
67.05494	3.8
69.03429	5.7
69.07055	3.6
70.52496	3.0
70.52847	3.7
71.04999	3.3
73.02918	2.0
79.05499	4.3
81.03416	8.2
81.07055	9.3
83.04987	2.1
84.08138	1.5
85.02897	15.8
85.06555	1.7
86.09708	3.2
87.00835	6.3
91.05494	4.6
93.07043	8.4
93.49429	1.7
95.08607	18.5
97.02893	5.2
99.04456	4.1
99.08088	6.2
105.01866	4.9
105.07036	13.6
107.08597	13.1
109.02890	5.1
109.10169	4.6
113.09646	2.9
119.08578	59.9
121.10159	2.8
123.11704	3.9
127.03895	9.8
131.08548	2.1
133.10124	90.6
134.10434	2.1
135.11685	21.3
137.09628	3.7
145.04958	3.0
145.10135	2.2
147.11664	3.3
151.11159	2.0
159.02911	2.4
175.14822	100.0
176.15125	3.5
193.12355	2.2
193.15857	22.2
193.57303	1.5
211.16916	11.0
212.08194	1.7
213.09061	2.5
231.05014	2.0
255.13808	11.2
283.57474	1.9
297.14822	4.0
373.11145	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	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.2
55.05505	1.9
60.24107	1.0
67.05508	2.2
69.03425	4.0
69.07063	2.2
69.20883	11.9
70.06571	1.2
71.04999	2.3
79.05518	2.2
81.03416	3.1
81.07049	9.3
83.08627	1.8
85.02895	8.7
87.00833	2.7
91.05495	4.2
93.07037	4.3
95.04977	1.5
95.08605	12.1
97.02883	2.5
99.04411	1.2
99.08102	2.8
105.01878	3.6
105.07031	10.4
107.08591	7.8
109.02863	2.3
109.10168	1.2
113.09609	1.4
119.08582	36.4
120.08886	1.4
121.10120	2.3
123.11672	1.9
127.03893	6.0
133.10130	50.6
134.10437	1.6
135.11700	8.6
137.05928	1.2
139.87750	1.2
145.04965	2.0
147.11656	1.2
160.33337	1.2
166.17218	1.5
175.14835	100.0
176.15201	2.8
193.15919	11.5
211.16983	4.6
219.42490	1.1
221.68672	1.2
225.31721	1.1
231.04907	1.5
253.12201	1.8
255.13872	5.2
297.14859	1.9
298.14407	7.1
345.14609	1.3
357.54868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
54.48269	0.5
55.01857	0.7
55.05507	0.6
57.03438	0.5
60.04515	0.6
61.02912	0.6
61.35106	0.4
67.01871	0.5
67.05511	1.1
68.99799	0.6
69.03439	2.2
69.07059	0.7
69.66296	1.7
69.66705	1.2
70.06590	9.8
71.04989	0.9
71.06911	1.5
72.08160	3.1
79.05473	1.0
81.03407	1.8
81.07045	1.8
84.04485	0.8
84.08144	2.6
85.02905	4.2
85.06534	0.4
86.09713	4.1
87.00851	0.6
91.05463	1.6
91.16583	0.4
93.07037	1.3
95.04947	0.8
95.08598	1.3
97.02867	1.4
97.06513	0.5
99.04436	1.1
103.55171	0.5
105.03406	1.2
105.07037	1.0
107.08587	1.0
109.02863	1.3
109.10128	1.0
109.18312	0.5
110.07185	0.6
116.07094	7.0
117.07427	1.4
119.04948	1.2
119.08580	1.3
119.83298	0.4
120.05250	0.8
120.08103	0.8
121.02869	4.4
121.10154	0.9
122.03201	1.6
123.03361	0.7
126.05491	0.6
127.03919	2.0
128.07039	0.5
129.10184	0.6
133.10156	1.0
135.11711	0.6
136.07570	1.8
139.03831	0.5
145.06506	0.5
147.04408	0.8
154.04958	0.9
160.07561	1.1
163.03873	1.8
164.04218	1.2
175.14653	0.9
181.04977	6.2
182.05319	4.0
189.01790	0.9
193.12015	1.9
193.15822	0.6
195.02917	1.0
195.13507	0.8
201.03583	0.6
203.03476	0.6
203.05273	1.5
206.05232	0.6
211.13031	4.8
211.16908	0.6
213.03889	0.6
227.05249	0.8
234.04640	0.5
243.04819	1.3
245.06398	3.6
251.11148	0.8
253.12991	0.7
255.13826	0.8
261.03806	0.8
269.07321	0.5
270.08066	0.7
271.04214	1.0
281.07599	0.6
287.03726	11.7
289.05307	21.7
295.05807	1.9
296.06113	2.0
296.11224	2.2
297.06775	2.6
297.11649	3.9
297.14673	0.8
298.07544	1.1
299.08191	1.1
307.05890	1.7
307.09091	0.5
308.06561	1.6
309.06766	4.7
310.07385	1.6
321.07172	0.5
322.08203	0.7
323.08310	1.4
324.09036	2.1
325.06973	4.6
326.07425	5.0
327.07626	11.8
337.06812	1.1
338.07327	1.3
339.07684	5.2
345.07703	0.5
351.08209	1.4
352.08908	1.0
353.09314	2.7
365.09268	0.8
367.10760	1.3
369.08524	1.2
373.18436	2.7
377.09161	1.0
379.07797	1.5
380.08429	1.5
381.08655	8.8
393.08768	2.6
395.10077	0.7
403.07919	0.6
405.08835	3.4
411.09854	3.5
415.19373	16.1
416.19968	0.6
423.09818	4.0
431.11465	0.8
441.10950	6.0
459.11792	12.6
459.18274	100.0
460.12222	0.9
460.18582	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	459.1777
Annotation	CHEBI:78344
Peak:m/z	Relative Intensity
52.66582	1.1
53.03931	1.3
54.74867	1.2
55.05507	5.2
55.05733	1.1
57.07076	1.4
58.70587	1.2
67.05513	5.4
69.07062	3.6
69.80923	1.1
69.84181	5.5
71.05602	1.1
78.29610	1.1
79.05496	5.2
79.80933	1.1
81.03429	2.1
81.07073	5.8
83.08619	3.0
85.78925	1.3
88.77736	1.1
91.05500	5.8
93.07050	3.5
95.04958	2.0
95.08619	6.0
97.06561	1.2
97.10188	2.8
105.03386	9.2
105.07033	4.8
106.03741	2.0
107.04938	1.7
107.08588	3.7
109.10152	4.0
117.07013	3.4
119.08605	3.8
121.06551	1.4
121.10153	3.3
125.09624	2.4
128.06213	1.4
129.07005	2.2
131.08554	3.8
133.10147	3.7
135.08055	1.7
135.11723	2.4
143.08548	1.4
145.10106	2.3
147.11650	1.6
157.10155	1.4
162.09143	4.2
162.11125	1.3
163.09520	2.9
165.09216	1.4
171.11693	1.2
173.09564	1.2
175.03920	1.9
189.11220	2.0
197.13228	1.8
198.02943	3.3
201.16383	2.7
209.02177	2.4
209.13307	1.5
213.12781	1.3
215.14461	1.8
225.05095	1.7
227.03172	7.7
268.07007	2.8
269.07840	35.6
285.07458	3.6
331.05807	11.0
332.06216	2.7
336.20654	1.8
337.14133	19.1
337.21054	3.7
349.21765	2.1
367.22702	2.9
375.08450	3.5
385.24017	1.9
390.10715	7.2
391.11551	56.5
392.11838	2.8
415.10135	1.6
441.26285	1.7
441.35483	1.3
459.17801	100.0
459.27032	9.0
459.35962	3.9
460.17889	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	459.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
54.48529	0.7
55.01862	4.3
55.05497	2.3
56.05015	1.0
57.03419	2.4
60.04520	1.0
61.02919	0.8
65.03925	1.1
67.05487	3.1
68.99770	1.2
69.03429	4.5
69.07065	1.3
69.52820	3.6
69.53246	1.9
70.06591	8.7
71.04971	1.5
72.08153	22.5
73.02896	1.3
79.05471	2.9
81.03422	7.6
81.07042	3.0
83.01337	1.8
83.04968	2.2
84.04500	1.9
84.08119	2.9
85.02902	15.8
86.09702	15.2
87.00820	1.4
91.05473	4.6
93.03407	7.3
93.07053	1.1
95.01328	1.2
95.04971	4.7
95.08591	1.0
97.02865	4.2
97.06491	0.9
99.04424	1.7
102.05499	0.7
103.03926	3.0
103.05437	1.3
105.03371	1.5
105.07007	2.6
106.04209	0.8
107.01305	1.1
107.04967	4.6
107.08576	1.6
109.02872	10.1
109.06535	3.2
109.10114	1.0
110.07159	1.9
110.74466	0.6
111.00790	1.0
111.04430	5.7
115.05425	1.9
116.07074	1.4
117.07028	1.0
119.04944	6.2
119.08633	1.6
120.08076	0.9
121.02862	8.1
121.06508	2.1
121.10134	1.4
122.02721	1.1
123.04414	3.9
125.02332	1.2
127.03920	6.1
129.10262	1.8
130.05020	1.0
131.04913	3.0
133.02821	1.3
133.06464	2.7
133.10136	1.1
135.00874	0.9
135.04381	3.6
135.11673	1.1
137.02325	1.4
137.05991	4.0
139.03870	4.0
143.04842	0.8
145.02852	1.5
145.04955	0.9
145.06467	1.0
147.04402	8.2
148.06007	2.8
149.02307	4.0
149.05988	2.2
149.09641	1.1
151.03888	2.8
151.07495	0.8
153.01807	2.2
154.05017	1.4
155.08455	0.7
157.06564	0.7
159.04381	6.2
161.02307	1.2
161.05966	3.7
162.05576	0.9
163.03917	5.1
163.11034	0.6
165.01900	1.1
165.05472	1.1
171.02927	0.9
171.04424	1.5
171.14992	3.2
172.07172	0.8
173.02303	3.4
173.05962	1.6
175.00241	3.9
175.03896	3.2
175.14816	1.6
177.01849	7.1
177.05457	4.3
179.03325	1.8
181.04935	1.0
182.04932	2.3
185.09558	1.5
185.16406	1.4
187.03857	5.7
189.01816	7.8
189.05432	2.6
191.03403	6.4
193.01299	1.6
195.02896	11.7
197.00740	0.8
199.03931	1.0
199.14537	3.3
201.01801	1.1
201.05447	2.1
201.09064	1.5
203.03510	1.7
205.01324	4.0
205.04976	5.3
207.00906	1.3
207.02879	23.5
207.06483	1.5
208.02838	3.7
209.04391	2.1
213.09065	2.2
213.16023	2.1
215.03395	4.3
217.01314	0.8
217.04904	1.7
219.02884	68.6
220.03220	1.6
221.00830	0.7
221.04477	2.3
223.02332	9.6
225.03941	16.8
227.14255	0.9
229.04982	3.7
229.09207	1.0
231.02844	3.0
231.05006	1.4
233.04425	20.0
235.02203	0.8
237.03929	1.6
237.12682	1.2
240.11400	1.8
243.03026	1.9
243.10228	1.0
245.04424	3.1
247.06053	2.7
247.12883	2.2
249.03903	3.7
251.05478	3.3
255.02945	1.2
255.13800	19.5
257.04437	3.5
259.02325	2.5
261.03934	100.0
261.14487	5.0
262.04269	2.1
269.15408	1.7
273.00964	0.9
273.03912	15.7
273.14703	1.7
275.05414	2.0
279.05133	0.8
285.03912	11.0
291.04974	9.4
297.07501	2.5
297.14890	7.0
303.04968	30.6
309.07596	3.7
312.22610	0.9
320.09460	2.8
321.06012	17.5
321.09644	1.3
325.07028	3.0
327.08618	24.0
339.07797	25.9
340.08228	1.2
351.08752	0.9
366.39474	0.7
381.09671	16.5
393.09628	15.3
405.09708	4.8
423.10623	5.3
441.11835	6.1
442.27600	0.8
459.12549	4.5
459.19492	6.2
459.25638	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	459.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	4.7
69.70960	4.0
69.71364	5.2
70.06604	1.7
71.54663	1.5
86.06087	2.0
98.97584	93.3
102.65298	1.6
110.97574	25.3
112.99117	3.5
116.89108	3.3
116.98625	40.2
119.14286	1.6
128.98615	20.9
131.00143	1.9
134.99680	11.1
146.99629	11.0
149.01201	1.8
149.62224	1.5
158.99661	61.9
161.01254	2.0
170.99672	23.1
177.00719	53.0
188.98157	1.9
189.00697	28.3
195.01747	5.1
200.02303	2.5
201.00818	1.8
202.50313	2.0
207.01831	13.8
209.98578	2.7
219.01770	36.2
231.01833	4.7
237.02806	10.1
249.02809	24.8
255.03871	9.7
261.00198	1.7
276.00861	2.2
279.03894	100.0
280.04468	1.7
288.00772	2.2
291.03992	5.4
297.01868	2.4
297.04977	22.8
309.04919	18.7
320.06516	3.8
339.05847	5.5
353.07510	2.1
366.06897	1.9
429.14609	1.7
459.11234	2.2
459.65030	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	458.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.3
51.02375	0.5
53.03950	2.4
54.39273	0.1
55.05513	0.3
69.42055	1.2
70.06578	0.2
72.08145	0.7
77.03896	1.2
79.05495	0.4
81.03405	0.3
84.08150	2.9
90.71515	0.1
91.05482	0.6
95.04967	4.8
98.06057	0.2
98.21490	0.2
104.05011	0.5
105.03391	100.0
106.03751	0.2
110.09694	0.3
112.11234	3.5
118.06561	0.4
118.24675	0.1
122.06088	0.7
130.12193	0.2
134.05006	0.3
134.06012	4.7
134.07001	0.3
161.10747	12.6
162.09137	63.2
175.12312	2.1
176.10710	9.4
215.15561	0.2
231.14958	0.4
233.16486	26.6
336.20697	37.9
337.19012	3.3
396.12509	0.2
440.22922	0.2
458.17880	0.2
458.24368	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	458.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.01875	3.2
55.05505	5.7
57.03433	2.4
60.04518	3.3
61.52665	1.3
67.05505	9.2
69.03432	11.2
69.07076	6.2
70.00065	3.0
70.00459	3.7
70.06591	22.8
71.04966	2.9
72.04526	6.5
72.08150	14.6
73.02921	2.5
74.06084	1.3
76.70379	1.4
79.05502	8.9
81.03413	13.2
81.07063	13.8
82.06566	2.5
83.04996	4.1
83.08604	1.8
84.04494	4.7
84.07642	3.6
84.08148	74.6
85.02922	13.2
85.06534	2.8
86.09711	24.8
87.00833	3.1
91.05482	14.2
93.07051	18.8
94.62927	1.3
95.04965	7.0
95.08627	11.2
97.02876	6.4
97.06549	4.7
99.04456	3.7
100.07657	1.8
102.04724	1.3
102.05527	2.4
103.05472	3.8
105.01855	2.6
105.03392	3.6
105.07029	10.9
107.04980	2.5
107.08588	13.3
108.08166	2.2
108.08893	1.8
109.02888	7.6
109.06501	7.6
109.10149	3.9
110.06062	1.4
110.06825	2.7
111.04420	2.1
111.86803	1.3
112.07616	1.6
113.03492	3.6
115.05511	2.0
116.07097	1.8
117.06999	2.1
119.04951	8.7
119.08580	4.5
121.02838	1.9
121.06487	2.4
121.10159	2.9
123.08034	2.4
123.11691	1.5
124.03971	1.9
124.07626	2.5
125.09662	1.7
127.03902	9.0
127.73408	1.2
128.04263	2.0
128.07088	1.8
129.10289	3.1
130.06538	1.6
131.04947	7.8
131.08577	2.5
132.10187	3.0
133.06487	4.3
133.10118	5.3
134.10477	2.0
135.08084	2.7
135.11690	3.6
136.07567	3.0
138.09143	1.9
140.07054	1.4
142.08636	2.1
144.06593	2.1
144.10214	9.8
145.04997	1.9
145.06432	1.7
145.10042	2.1
147.04408	10.3
147.11719	1.7
148.05209	1.7
153.09047	1.9
154.04959	2.5
159.02979	1.4
159.04395	3.0
159.09221	2.0
161.05991	5.3
163.07445	2.3
170.06023	2.3
173.06010	3.8
173.13246	2.7
174.13556	2.5
175.03918	12.1
176.04631	4.4
185.09528	1.8
185.16472	2.0
187.03943	4.3
189.09076	1.7
191.07045	11.0
191.14351	4.2
192.14687	2.7
193.08713	3.2
201.05508	3.4
204.04201	3.8
205.04951	1.8
207.06540	26.9
210.11331	2.1
210.15474	2.8
211.10922	6.5
213.09081	3.0
213.15987	2.6
219.06531	100.0
220.06894	3.1
227.10622	3.0
228.13483	2.2
237.07544	11.8
237.12662	1.8
240.11406	1.5
250.10814	5.6
255.10934	1.5
255.13779	20.4
269.15475	2.4
278.10168	4.5
288.14569	1.7
296.18546	11.5
297.14938	6.1
303.76703	1.6
304.13925	2.6
306.15488	15.6
376.14227	1.3
422.29254	1.8
440.15164	1.9
458.14377	1.6
458.18143	2.4
458.28384	12.2
459.19257	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	458.165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89414	0.5
53.03925	1.3
55.01876	3.1
55.05500	0.8
57.03412	2.6
58.63905	0.5
59.04982	1.2
61.02932	2.8
65.03931	1.5
66.51360	0.5
66.82548	0.6
67.01846	2.0
67.05484	0.8
68.99783	1.7
69.03413	5.7
70.06591	35.5
71.04970	1.5
72.08125	2.7
73.02891	2.3
79.05476	2.0
81.03420	4.2
81.07036	1.6
82.06563	1.0
83.01304	0.8
84.04485	1.2
84.08141	4.3
85.02443	0.9
85.02905	11.9
85.68980	0.5
86.03220	1.3
86.09702	5.1
86.14669	0.6
87.00771	1.0
87.04492	1.0
88.03968	2.3
91.05474	3.5
93.03391	3.4
93.07027	0.9
94.03714	1.0
95.04958	3.1
95.08562	0.9
97.02888	4.4
103.03946	1.2
105.03374	2.0
105.07037	1.5
107.04951	3.0
109.02889	2.9
110.07142	1.3
111.04446	1.3
112.07631	0.8
116.07091	59.3
119.04937	6.2
119.08551	1.3
120.04474	1.1
120.05269	2.8
120.08080	0.8
121.02868	28.5
121.10162	0.6
122.03208	10.8
124.03836	0.8
124.07563	2.4
125.07883	0.9
127.03941	2.9
128.07085	3.7
129.10219	1.5
133.02821	0.6
133.06493	1.0
133.10123	1.1
135.04398	3.0
135.07924	0.7
136.07492	1.1
139.03880	4.8
143.34186	0.6
145.02834	3.2
145.04904	0.8
146.03131	0.9
147.04388	1.5
148.04771	0.7
149.05977	0.8
151.03862	1.5
152.07115	0.7
153.01770	0.9
155.08107	0.7
156.06766	0.6
160.04721	0.7
161.02361	1.5
161.06001	1.4
163.03903	23.9
164.04201	2.1
165.01843	0.7
167.07022	0.6
175.03842	1.1
175.14810	1.9
176.01054	0.9
177.01743	1.9
177.05443	2.1
178.02063	1.0
179.03423	3.2
179.06995	1.1
180.03694	1.6
181.04950	68.5
182.05228	1.7
187.03830	2.5
188.04288	0.7
189.01836	3.8
190.02225	3.5
191.03304	2.8
191.07071	1.0
192.03667	2.2
192.06422	0.6
193.04990	4.1
193.12141	0.6
194.02118	1.1
195.02849	4.0
195.06473	1.8
196.03189	2.2
201.05458	1.6
203.03333	1.5
203.06932	1.0
204.03831	1.5
205.04965	7.4
206.05205	1.4
207.02907	6.4
207.06425	1.4
208.03226	3.7
208.06010	1.1
209.04361	1.0
210.04759	0.9
210.11174	0.9
212.04317	1.0
215.03392	1.3
216.03676	1.6
217.04892	0.8
219.02888	2.3
219.06514	4.4
220.03252	1.9
220.06747	0.9
221.04460	0.8
221.07999	3.2
225.03860	0.9
229.04903	2.8
229.15599	0.9
230.05284	1.6
233.04517	1.2
234.04741	1.4
240.07356	0.9
246.04874	0.9
247.06010	2.5
248.06168	0.8
250.10800	8.0
251.07011	0.7
252.07434	0.8
252.12105	0.8
257.04456	1.2
258.04739	2.0
265.07013	1.5
267.06427	2.5
268.06918	4.5
269.07587	5.2
270.08197	1.1
279.06595	1.7
280.06897	5.7
281.07736	2.6
282.08298	2.0
283.05902	1.4
284.06570	2.2
285.04019	1.3
285.07034	0.9
286.04230	1.7
287.03677	1.5
289.05188	3.7
290.05264	0.9
292.06897	1.2
293.07867	2.0
294.05151	3.5
294.08459	5.4
295.05820	17.4
295.09311	2.0
296.06360	26.7
296.11285	57.2
297.07199	9.1
297.11545	2.3
298.07898	6.5
305.07755	0.9
306.08530	1.6
307.06012	9.8
307.09308	0.6
308.06387	32.2
309.07141	17.8
310.07822	5.0
313.06995	1.6
314.07410	3.7
318.08624	0.8
319.05978	1.1
319.09225	0.7
320.06464	4.7
320.09756	1.0
321.07339	3.8
322.07925	13.1
323.05087	1.4
323.08704	13.4
324.05826	2.1
324.09415	4.8
325.03094	0.7
325.07040	31.7
326.07391	100.0
327.07495	5.6
330.08313	0.7
333.07565	1.4
334.07962	3.5
335.08722	1.2
336.05917	0.8
336.09674	1.4
337.06967	10.8
337.10440	1.2
338.07391	47.6
338.10602	1.8
339.07819	2.2
340.08966	1.9
346.08133	1.7
347.08960	1.9
348.09518	5.1
349.06760	0.8
350.07336	3.4
351.08536	5.8
352.05377	1.0
352.08942	28.1
353.09265	1.2
356.08362	0.8
358.07883	1.8
361.07037	1.3
362.07468	2.6
363.08246	0.8
364.08945	1.4
365.10370	1.2
366.06561	1.3
366.10574	11.5
367.07813	1.0
368.08499	4.9
374.07516	0.8
375.08313	1.9
376.08908	8.2
378.06897	1.3
379.08075	8.4
380.08450	66.1
381.08670	3.6
386.07385	1.4
391.08261	1.1
392.08466	16.4
393.09082	1.7
394.09866	3.2
398.09732	0.6
404.08456	20.6
405.08771	1.3
409.09067	1.2
410.09460	16.8
411.09930	0.9
415.19333	2.7
422.09497	28.1
423.09549	2.2
440.10583	27.6
440.15561	0.8
441.10809	2.6
458.11551	59.7
458.16684	4.6
459.11588	4.4
459.18353	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	457.3675
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
53.03939	2.4
55.05509	10.6
57.03438	2.0
57.07076	9.5
57.56606	1.6
58.73955	1.8
62.25550	1.8
67.05508	25.1
69.06736	2.4
69.07072	34.2
69.46809	14.6
70.06586	2.3
71.05012	3.0
71.08624	4.2
79.05498	13.2
81.06589	3.1
81.07057	47.5
83.04964	3.7
83.08620	9.5
85.06532	7.7
88.07613	4.3
91.05463	9.4
93.07045	26.5
95.04964	3.9
95.08609	87.1
96.08994	2.0
97.06512	4.1
97.10166	7.7
98.20819	3.5
102.09229	1.7
105.03396	19.0
105.07027	15.3
107.08594	32.7
109.06503	7.8
109.10162	70.9
111.08059	3.7
111.11728	9.5
113.05939	2.6
117.06985	2.7
119.08583	27.4
119.63048	2.2
121.06497	5.4
121.10152	32.5
123.08090	8.7
123.11713	23.2
125.09660	3.1
128.06329	1.8
131.08554	6.9
133.06441	3.8
133.10124	17.6
134.89555	1.9
135.08047	6.8
135.11687	17.8
137.09607	18.7
137.13239	16.0
139.07545	2.1
143.08580	4.1
145.06482	2.3
145.10139	13.5
147.08043	4.6
147.11641	10.0
147.99376	1.8
149.09601	5.9
149.13260	16.8
151.07541	4.6
151.11157	1.8
151.14864	2.3
155.10646	2.7
157.10158	6.1
158.07170	2.1
159.08060	7.3
159.11665	10.6
161.09599	5.2
161.10828	2.1
161.13297	9.1
162.09149	13.9
163.11194	4.3
163.14810	11.1
165.09120	30.3
169.10040	2.2
171.11708	5.8
172.08849	3.1
173.09656	6.2
173.13268	13.0
175.11276	4.3
175.14790	10.7
176.10648	2.1
177.12672	2.4
177.16371	7.2
183.10149	10.3
183.11668	3.9
185.13292	5.0
186.10379	2.4
187.11192	1.9
187.14807	7.9
189.12659	2.1
189.16341	6.7
191.17906	9.1
199.14796	3.9
200.20145	9.9
201.12756	14.5
201.16402	4.9
201.20447	8.0
203.14278	8.2
203.17973	4.5
205.12073	1.8
205.15863	2.6
205.19504	15.5
207.17435	2.6
211.14719	3.2
213.16451	4.1
215.14313	9.9
215.17770	2.9
217.12482	2.0
217.15962	11.0
217.19513	5.7
219.13835	9.7
219.17393	3.2
219.21017	5.5
220.14064	2.3
227.17990	3.1
229.15910	7.8
231.17381	6.1
231.21140	3.1
233.16599	5.3
241.15938	2.8
247.16953	5.2
259.20569	4.4
259.24222	1.9
271.50037	2.2
283.20615	3.7
283.26270	2.4
284.26657	9.4
311.23755	2.1
336.20694	9.9
393.35141	3.0
409.34555	10.1
411.36267	3.4
418.02795	2.1
421.34680	45.8
422.34943	6.5
439.35742	100.0
440.35849	10.1
457.36603	54.6
457.44360	30.7
458.37125	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	457.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
54.45584	1.2
55.05265	1.5
55.05509	13.9
57.07067	6.5
65.03958	1.5
67.05504	31.7
69.07069	24.8
71.04988	3.2
71.08618	2.6
79.05490	14.7
81.07056	49.9
83.08619	15.6
85.06551	2.5
91.05479	11.0
93.06486	2.2
93.07042	32.7
95.04991	1.3
95.08606	95.0
96.89912	1.4
97.06518	1.2
97.10180	7.8
99.08093	5.9
105.03393	7.0
105.07030	41.7
107.08591	62.0
109.06524	1.2
109.10156	93.3
110.10552	2.4
111.11716	3.9
113.09646	40.2
113.44841	1.3
115.05390	1.3
117.07004	3.4
119.08576	44.5
121.06463	1.9
121.10147	58.5
121.68282	1.3
123.08054	2.3
123.11703	38.5
125.09612	3.7
125.13296	1.5
131.08543	5.5
133.10132	54.4
135.08102	1.3
135.11690	51.2
137.13258	18.4
139.11150	3.2
141.09094	35.9
143.08514	1.6
145.10121	12.2
147.10510	2.1
147.11679	38.1
149.13252	27.2
151.11171	11.7
151.14809	10.1
157.10072	1.4
159.10196	4.5
159.11708	14.6
161.13248	25.6
162.09149	5.8
163.14821	20.6
165.12805	1.6
165.16388	1.4
167.14244	1.4
173.13263	8.0
175.14821	17.0
175.37091	1.4
177.16367	18.7
179.14316	2.1
187.14839	9.4
189.16373	14.9
191.17935	7.9
201.16402	9.4
203.17955	46.9
204.18469	1.7
205.19569	7.9
215.17984	5.6
217.19496	15.6
227.18008	1.5
229.19623	7.1
231.21008	1.6
233.16357	1.3
235.17010	1.7
243.21082	7.3
257.22607	1.7
273.25891	2.2
277.21835	2.4
299.27310	52.7
300.27811	2.5
317.28333	20.9
318.28488	1.8
336.20914	2.0
434.05920	1.5
439.35654	7.1
457.36783	100.0
458.37274	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	457.3675
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.03931	2.2
55.01882	3.1
55.05507	8.9
57.07076	3.2
67.05510	11.2
69.07070	26.3
70.10308	8.2
71.04976	3.9
73.96666	1.5
79.05482	10.1
81.07059	28.7
83.04993	2.7
83.08616	5.8
85.06556	2.6
86.25909	1.6
88.93146	1.9
91.05484	9.9
93.07046	32.0
95.04905	3.7
95.08606	54.1
97.06541	5.5
97.10188	1.9
99.08097	6.6
101.06036	2.3
103.36011	1.6
105.03393	38.5
105.07034	17.9
107.08592	51.5
109.06518	4.1
109.10153	30.9
111.08089	8.2
111.11717	15.0
113.09695	3.4
117.07061	2.1
118.46558	1.8
119.08584	39.8
121.10143	37.6
123.08080	4.3
123.11710	29.2
125.09624	4.4
131.08588	9.7
133.10135	22.9
134.06004	3.1
135.08066	6.1
135.11688	11.4
137.09636	4.0
137.13271	7.9
137.48645	1.8
139.11197	3.8
143.08585	3.6
145.10129	17.6
147.11710	9.1
149.09669	4.1
149.13257	23.9
151.11195	5.0
157.10127	6.4
159.11703	23.2
161.09602	4.1
161.10776	6.8
161.13313	11.2
162.09138	26.7
163.11174	3.0
163.14856	7.0
165.12828	2.6
167.14302	15.7
169.10175	4.3
171.11734	7.2
173.13196	12.3
175.11171	4.1
175.14790	8.7
176.10747	2.0
177.12805	3.3
177.16389	19.7
179.17953	2.1
183.11763	2.6
185.13307	6.2
187.14787	8.3
189.16434	6.7
191.14372	3.5
191.17986	3.3
195.17436	20.0
199.14818	4.0
201.16370	20.2
203.14296	5.9
203.18060	5.0
205.16052	2.5
207.17484	3.8
213.16440	7.9
215.18019	10.2
219.17542	4.1
223.16832	2.8
225.16364	3.1
227.17963	7.8
229.15800	2.3
231.17476	6.2
233.16534	8.5
233.19090	8.2
243.17467	10.7
245.18924	2.9
251.20074	48.5
252.20410	4.3
261.18436	2.7
267.21124	3.4
281.22754	5.6
299.23706	6.9
336.20709	9.0
397.34698	2.9
403.33618	3.0
421.34637	25.3
422.35236	2.6
439.29880	3.5
439.35812	71.3
440.36237	5.4
457.36807	100.0
458.24350	2.4
458.37030	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	457.3676
Annotation	3alpha-Hydroxyolean-12-en-27-oic acid
Peak:m/z	Relative Intensity
50.68790	1.6
55.05498	6.3
57.07069	5.4
67.05489	8.4
69.07070	15.1
71.52970	2.3
79.05489	3.9
81.07052	20.6
81.77988	1.6
83.08598	3.3
88.07603	3.5
91.05445	4.3
93.07024	11.2
95.04934	2.2
95.08608	37.6
95.24597	1.7
97.10161	2.0
105.03367	5.6
105.07006	9.0
107.08584	17.3
109.10156	22.7
111.11675	3.4
115.81449	1.7
117.06942	1.8
119.08582	14.4
121.10133	15.7
123.08103	1.9
123.11694	9.8
133.10100	8.1
135.07991	2.2
135.11720	8.9
137.13264	16.1
138.17648	2.0
145.10103	4.6
145.90375	2.0
147.07990	2.0
147.11673	7.5
149.13245	6.1
151.07516	2.4
151.14790	4.4
154.54472	2.4
157.10141	2.6
159.11690	5.2
161.13284	3.1
162.07874	2.0
162.09123	6.9
163.14743	3.4
165.09082	3.7
165.77991	1.8
171.11745	1.9
173.13261	6.5
175.14815	13.2
177.16435	3.6
179.10660	3.0
185.13283	2.3
191.17880	4.6
193.12204	2.6
199.14865	3.0
201.20457	2.5
203.14223	3.1
203.17847	3.6
215.17862	3.6
218.91457	2.1
221.15347	5.2
229.19586	1.9
233.16473	5.3
243.21075	16.0
245.22592	2.4
266.46869	1.9
283.26340	2.0
284.26764	2.7
301.21527	3.8
303.23105	4.6
329.24353	2.0
336.20618	7.0
393.35040	2.8
411.36295	22.2
421.34329	6.0
439.35742	100.0
440.36017	5.4
457.36536	19.1
457.44244	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	457.3677
Annotation	Aegicerin
Peak:m/z	Relative Intensity
52.62048	1.0
53.03944	2.7
55.05515	8.9
57.07077	1.6
61.36870	0.9
61.58894	1.0
66.34262	0.9
67.05241	1.0
67.05513	11.6
68.79794	1.1
69.03454	1.0
69.07068	9.7
70.06596	1.4
71.05011	1.7
73.10969	1.0
79.05483	10.3
81.03407	1.2
81.07056	21.9
83.04992	4.5
83.08622	3.7
91.05472	10.6
93.07053	21.3
95.04966	4.4
95.08614	29.5
95.39894	1.0
97.06550	6.6
97.10165	2.6
99.08083	1.3
105.03395	33.9
105.07040	17.4
107.08600	30.1
109.10155	20.0
111.08109	2.9
117.07027	2.9
119.08588	26.1
121.10150	23.5
123.08078	4.2
123.11695	9.6
131.08588	6.6
133.10139	17.7
133.11104	1.4
134.06082	1.3
135.08043	2.4
135.11690	24.0
137.09602	1.6
137.13245	3.8
143.08592	5.3
145.10144	9.5
147.11691	13.0
149.09631	4.0
149.13268	4.5
151.11208	1.7
157.10117	6.6
159.11726	10.7
160.12186	1.1
161.10802	5.2
161.13239	9.0
162.09148	23.0
162.10492	1.7
163.14819	5.9
165.12805	1.4
169.10219	1.5
171.11696	6.0
173.13286	6.8
175.14856	4.7
176.10721	3.8
177.12752	1.7
177.16422	1.9
179.14377	1.6
183.11891	1.1
185.13310	4.1
187.14862	4.6
189.16380	11.3
191.14452	1.6
191.17937	7.2
197.13239	1.8
199.14847	4.1
201.16382	5.9
203.17943	7.4
207.17476	8.0
213.16490	4.2
215.18066	3.5
217.16090	2.0
217.19452	1.3
227.17958	1.3
229.19595	2.2
231.17477	2.8
233.16650	6.6
233.18758	1.7
235.17084	1.4
241.19598	1.4
249.18613	2.2
267.21194	1.2
297.25961	1.2
325.29016	2.6
336.20752	10.4
337.18954	1.4
414.10110	1.3
421.34808	4.7
439.35941	16.4
457.36856	100.0
458.24408	1.5
458.37250	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	457.3673
Annotation	Aegicerin
Peak:m/z	Relative Intensity
53.03945	1.2
55.01868	1.3
55.05509	6.0
57.03431	0.8
57.07075	2.1
65.03929	1.5
67.05502	12.4
69.07066	8.8
70.06593	1.0
70.17218	2.8
70.17577	1.3
71.04966	1.1
77.03917	0.9
79.05067	1.1
79.05490	12.1
79.64666	0.8
81.03439	1.0
81.07051	22.8
81.07532	1.2
83.04994	4.1
83.08629	4.3
83.25951	0.7
85.06554	1.6
85.87000	0.8
91.05470	9.8
93.07040	23.6
93.84860	0.7
95.04955	3.6
95.08605	28.8
97.06535	7.3
97.10162	2.6
98.21477	1.1
99.08078	1.8
105.03391	14.7
105.04483	1.1
105.07027	18.1
107.08587	30.8
109.06501	2.0
109.10154	17.3
111.08064	3.0
113.06030	0.8
117.07009	2.7
119.08580	25.9
121.10138	24.7
123.08051	5.3
123.11703	8.7
125.09659	1.7
127.34921	0.7
129.07031	1.7
131.08559	6.8
133.10130	18.8
134.06012	1.0
135.08104	1.7
135.11690	22.2
137.09618	1.7
137.13255	2.9
139.11151	1.4
142.07825	2.1
143.08572	3.0
144.09297	1.1
145.10107	10.4
146.10493	0.8
147.07985	0.9
147.11684	13.0
149.09602	4.8
149.13232	6.5
151.11160	1.8
155.08531	1.5
156.09329	1.2
157.10127	6.7
159.08110	0.9
159.11699	9.6
161.05899	0.9
161.10710	1.8
161.13255	9.3
162.09151	9.3
163.11244	1.1
163.14862	5.4
169.10056	1.1
171.11699	5.7
173.13271	6.9
175.14835	5.7
176.10666	1.1
177.12709	1.9
177.16396	2.4
179.14375	1.4
185.09721	0.8
185.13254	3.2
187.14828	4.9
189.12758	0.8
189.16380	12.0
191.14340	1.1
191.17941	8.6
197.13202	2.0
199.14743	3.5
201.16446	5.8
203.17923	8.2
205.15825	1.2
207.17415	7.8
211.14813	2.1
213.16397	4.8
215.14215	1.0
215.17981	3.8
217.15956	1.4
217.19574	2.0
221.18968	0.8
227.17964	1.5
229.19482	1.6
231.17468	2.1
233.16446	4.4
233.18707	0.9
235.16943	1.2
241.19595	2.0
249.18488	0.8
255.21217	1.5
283.17285	0.7
323.27472	1.2
325.28973	2.4
336.20639	5.7
403.33685	1.2
421.34671	5.5
439.29926	1.1
439.35757	16.7
440.36176	1.1
457.36786	100.0
458.36987	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	457.3678
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.03937	4.2
55.05497	4.4
57.07073	4.1
57.14156	1.6
67.05493	5.0
69.07069	10.2
69.51050	1.5
70.06596	1.6
71.04977	1.5
71.18171	1.5
71.18507	2.7
74.90975	1.5
79.05493	3.7
81.07053	11.6
83.08624	3.4
84.08151	3.3
91.05473	4.8
93.07040	8.7
95.05000	9.3
95.08611	21.4
97.06548	1.7
105.03396	100.0
105.07047	8.2
107.08598	12.0
109.06523	3.1
109.10154	16.4
111.08121	1.8
111.11720	3.3
112.11266	2.7
113.09608	2.0
115.76346	1.8
116.28397	1.5
119.08601	14.0
120.08959	1.4
121.06420	1.5
121.10144	12.7
123.08038	1.7
123.11741	9.5
125.09574	2.1
131.08498	2.7
133.10138	9.0
134.06013	3.4
135.08090	3.7
135.11678	7.9
137.09593	2.4
137.13281	3.3
143.08612	1.5
145.10127	8.8
147.11649	6.0
149.09648	1.8
149.13321	3.8
159.11668	4.4
161.09575	1.8
161.10744	5.5
161.13255	7.3
162.09138	16.4
163.11168	1.6
163.14835	4.1
165.09035	2.4
171.11682	2.3
173.13223	3.7
175.14845	6.9
176.10680	2.9
177.12813	1.9
177.16457	2.0
185.13249	2.5
187.14882	8.2
189.16397	4.2
193.12180	2.2
193.15929	7.2
199.14854	1.8
201.16386	2.8
203.14243	2.7
203.17989	3.4
205.19461	2.6
207.17514	2.3
211.16843	1.6
215.14342	4.6
215.17856	1.9
217.19633	2.1
227.18033	1.8
229.19676	1.9
233.16534	1.4
233.18944	2.4
245.18958	2.8
257.18893	2.0
259.20560	1.8
265.19690	1.7
290.83459	1.5
312.70386	1.6
336.20776	3.8
393.35361	2.2
403.33615	5.4
421.34680	65.1
421.40381	3.3
422.34802	4.9
439.35873	63.1
440.35947	3.6
457.35794	49.0
457.44281	9.3
458.36649	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3674
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.03941	3.1
55.05510	13.2
57.07063	3.5
57.34071	2.7
60.58810	2.7
65.03957	2.4
67.05510	19.4
69.03431	5.1
69.07059	17.5
69.35932	23.2
71.04985	2.8
76.64747	2.4
79.05488	13.6
81.07047	37.3
83.04974	2.9
83.08633	10.5
84.08132	2.5
91.05490	12.7
93.07048	28.3
95.04964	6.5
95.08610	60.8
97.06548	9.2
97.10201	4.0
98.21487	4.2
105.03387	88.5
105.07027	25.1
107.08595	43.4
109.06553	3.0
109.10141	41.0
111.08117	3.6
111.11752	3.7
117.07002	4.9
117.95333	2.8
119.08585	38.3
121.10144	34.3
121.20708	2.6
123.08115	4.1
123.11697	23.1
125.09669	2.6
131.08588	15.5
133.10120	32.7
134.06029	4.4
135.08028	4.3
135.11674	31.4
137.09651	5.0
137.13304	7.1
143.08603	10.1
145.10115	22.5
147.08025	4.1
147.11685	31.0
149.09639	5.9
149.13280	12.0
151.11227	3.4
155.08536	3.4
157.10124	13.7
158.96541	2.5
159.11723	20.3
161.06303	2.5
161.09613	4.2
161.10803	6.7
161.13239	18.9
162.09137	55.6
163.11295	3.2
163.14874	9.5
171.11760	9.8
173.13304	11.1
175.14856	8.6
176.10806	7.2
177.16400	6.3
183.11682	2.8
185.13354	7.6
187.14801	14.9
189.16324	16.1
191.17964	12.6
197.13237	3.6
199.14816	14.0
201.16447	7.2
203.17937	13.4
205.15913	3.8
205.19600	4.8
207.17474	16.0
209.13474	3.2
213.16484	11.0
215.18045	6.5
217.15927	6.6
225.16466	3.0
229.19550	4.4
231.17505	5.4
233.16556	15.6
233.18869	2.7
241.19553	4.0
251.16345	14.6
256.26431	3.4
336.20789	18.1
403.33975	5.3
421.34775	23.7
439.35852	56.9
440.36569	3.1
457.36902	100.0
458.37274	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	457.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71544	1.7
53.03945	3.9
53.74030	2.0
55.01850	2.4
55.05513	13.1
57.07076	2.6
57.96202	1.8
59.04999	1.8
65.03954	2.2
67.05506	24.9
69.03432	3.0
69.07065	24.6
70.06593	7.0
70.57581	5.5
71.04985	3.9
71.08635	2.0
79.05499	19.7
81.03413	5.9
81.07056	46.3
83.04987	4.6
83.08616	8.2
85.02899	4.0
85.06542	4.7
89.79702	2.1
90.29881	1.8
91.05475	24.2
93.07041	40.7
95.04964	8.2
95.08607	71.2
97.02898	2.5
97.06528	2.8
97.10168	8.0
103.05473	1.8
105.03433	3.1
105.07031	54.3
107.04948	3.8
107.08593	66.0
109.02904	10.0
109.06517	6.3
109.10145	42.7
111.08079	4.6
117.07018	6.9
119.08579	52.7
121.06478	15.9
121.10147	48.9
123.08059	6.3
123.11720	9.6
125.09644	3.5
127.03855	2.6
129.06989	3.7
131.08572	22.5
133.10136	44.3
135.08038	7.8
135.11691	18.0
137.05971	6.3
137.09688	2.2
137.13191	5.3
139.22052	1.7
143.08562	8.6
145.10126	27.4
147.07994	9.5
147.11679	36.6
147.12799	2.5
149.09648	7.6
149.13245	34.5
151.07545	2.6
151.11150	3.4
153.09106	3.0
156.09427	2.4
157.10097	11.7
158.10887	2.5
158.87639	1.8
159.11687	17.6
161.09595	9.9
161.13278	27.0
163.11221	7.9
163.14812	32.0
164.15182	2.8
165.09120	13.9
166.21014	1.7
169.10156	3.0
170.10886	2.2
171.11668	9.3
173.09718	2.7
173.13275	19.5
175.11191	6.3
175.14841	33.6
177.09088	4.8
177.12701	3.8
177.16389	20.3
179.10748	3.2
179.14384	2.9
181.10205	2.0
183.11676	2.8
185.13210	9.9
187.14813	35.1
188.15103	2.6
189.12723	13.8
189.16382	51.9
191.10695	2.3
191.14325	12.8
191.17944	7.6
197.13374	2.9
199.14835	6.8
201.16362	23.3
203.14282	6.1
203.17960	100.0
204.18257	3.3
205.12244	3.4
205.15941	7.4
205.19496	5.4
207.13773	5.6
207.17586	2.2
211.14929	2.5
213.16412	5.8
215.14398	3.3
215.17989	7.9
217.12157	2.4
217.15857	5.4
217.19600	2.8
219.13762	3.5
219.17578	4.8
221.15234	2.4
225.16360	2.2
227.17894	4.9
229.15939	4.2
229.19510	2.5
231.21106	2.9
235.13347	3.4
235.16982	5.6
241.19495	2.5
247.16971	6.8
253.14392	2.6
261.18494	3.4
263.20087	4.3
296.56372	2.1
296.89151	2.1
309.25861	2.5
365.32010	3.0
375.30325	6.8
383.33099	3.0
393.31500	16.2
395.33325	4.4
411.32532	28.9
421.30865	8.5
439.31863	17.4
457.32907	49.1
458.24112	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	457.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01874	1.0
55.05502	1.5
55.40167	0.6
57.03429	1.0
58.06602	1.0
60.04490	0.8
61.02905	0.7
61.40883	0.6
65.03934	0.8
67.05500	1.9
69.03433	4.6
69.07055	1.2
70.06588	8.1
71.04995	1.8
71.51794	0.9
72.08160	4.0
73.02892	1.1
79.05486	2.3
81.03420	5.8
81.07050	2.4
83.05034	1.4
84.08134	2.7
85.02904	9.7
85.06517	0.9
86.09703	4.5
87.00821	2.9
89.03904	0.7
89.21279	0.6
91.05470	6.4
93.07047	3.6
95.04965	2.3
95.08594	3.7
97.02887	3.4
97.06533	3.6
99.04452	2.0
101.07150	1.0
105.01865	2.8
105.03391	1.5
105.07033	4.8
107.08569	3.3
109.02870	3.5
109.06512	1.2
109.10147	1.0
110.07121	1.2
115.03885	0.8
116.07090	1.9
117.06992	1.0
119.04948	2.2
119.08569	1.9
119.63080	0.7
120.08061	0.8
121.02866	1.3
121.06522	1.1
121.10152	2.5
123.08052	1.2
125.09680	0.7
127.03925	5.8
131.08524	3.9
132.06555	0.9
133.10120	14.0
134.05991	1.0
135.08066	2.1
135.11713	1.1
137.09683	1.2
144.09308	0.7
145.04968	1.9
145.10109	2.3
147.04413	3.1
147.07974	0.7
147.11644	1.1
149.06044	0.8
149.09612	20.1
149.13324	1.0
150.09929	0.8
151.11237	1.4
153.09177	1.1
159.02901	1.1
163.14822	0.7
166.08421	0.7
173.13258	10.0
175.03935	4.6
177.05525	1.1
189.12703	0.8
191.06915	1.1
191.10431	1.6
191.14308	12.9
191.16054	0.7
201.03712	1.7
203.05234	4.1
203.08209	1.0
207.06509	9.2
209.15331	8.6
229.12015	0.7
229.15469	1.5
230.13823	0.7
231.05066	1.1
242.15126	0.8
277.17758	6.0
279.19299	13.3
280.19531	0.8
295.06207	1.0
325.07104	1.2
379.08096	0.9
413.17825	4.1
457.16974	8.8
457.24081	100.0
458.18326	1.3
458.24411	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	12.9
55.05503	15.7
62.02592	8.4
67.05495	45.2
69.03429	19.0
69.07067	18.0
69.26891	60.5
69.27293	23.8
72.06345	7.8
74.47954	8.1
79.05482	30.3
81.03412	45.4
81.07053	40.8
91.05486	30.2
93.07036	33.9
95.01338	100.0
95.04977	74.4
95.08598	35.9
97.06599	9.0
98.18475	9.1
103.05493	20.3
105.03368	19.2
105.07029	76.1
107.04983	18.3
107.08589	41.0
109.10134	28.2
115.05458	19.4
117.07047	19.4
119.04949	9.9
119.08595	64.8
121.02838	12.7
121.06493	21.4
121.10111	29.9
123.08086	11.5
123.11707	10.8
128.06139	10.1
129.06998	17.2
131.04869	11.8
131.08545	23.8
133.06479	40.4
133.10126	32.6
135.11693	30.4
137.06094	10.1
141.06955	9.4
142.07718	11.0
143.08540	32.8
144.09267	9.6
145.06496	23.0
145.10120	36.4
147.07979	11.0
147.11694	15.8
155.08511	12.3
156.09274	15.3
157.10121	24.0
159.08040	33.2
159.11713	36.1
161.05992	93.3
162.09082	13.9
169.10149	28.0
171.08028	13.5
171.11670	16.4
173.09622	12.9
173.13268	18.6
175.07524	13.7
175.14871	14.2
179.08578	17.0
181.10085	26.6
183.11705	11.9
185.09583	14.3
185.13312	18.7
187.11131	15.5
187.14752	15.8
189.16423	9.8
193.10156	10.8
195.11720	24.8
196.08592	12.5
197.09573	17.9
199.07626	10.7
201.09096	17.0
205.04935	14.5
209.09610	28.5
211.11082	13.0
215.10669	20.9
215.14336	17.6
223.11050	15.3
225.09009	13.2
225.12685	11.2
231.14085	9.4
235.11038	17.0
235.13235	15.1
237.09012	9.4
237.12796	9.5
251.10320	8.5
251.14226	15.0
253.15909	12.3
266.08051	17.1
271.17062	10.1
281.15274	13.8
295.16727	10.0
340.45337	10.4
341.17413	52.8
365.21182	13.3
375.19571	23.6
377.20886	13.8
380.09186	8.9
385.17630	16.4
393.20505	19.1
395.21902	11.7
403.18823	19.0
421.20004	10.9
439.21155	58.1
457.21631	17.5
457.36737	10.6
473.73148	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	457.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.9
55.01864	13.0
55.05503	15.8
56.68446	4.8
57.07064	11.6
64.06966	4.2
65.03951	4.3
67.05504	41.0
69.03425	18.4
69.07079	27.2
71.05007	7.0
79.05496	34.6
81.03400	26.1
81.07056	51.6
83.08623	7.6
84.04496	26.3
84.66385	5.4
85.02905	8.3
91.05476	38.5
93.07052	40.4
95.01328	95.8
95.04967	78.5
95.08607	46.4
95.20348	5.0
97.02872	7.8
97.06521	20.9
97.10179	4.7
99.04456	5.7
99.08105	8.3
103.05451	7.5
105.03414	31.4
105.07019	76.9
107.04944	9.0
107.08598	44.8
109.02808	6.1
109.06509	15.1
109.10163	29.6
115.05471	5.9
117.07024	18.8
119.04906	7.0
119.08594	45.3
121.06519	11.8
121.10133	38.3
123.04416	6.4
123.08138	6.4
123.11755	8.3
125.05997	5.1
128.06216	14.4
129.06993	18.9
130.04994	15.6
131.04987	5.2
131.08528	27.5
133.06479	36.6
133.10121	39.7
135.04341	5.4
135.08014	10.6
135.11642	22.9
137.05960	6.0
137.13268	9.1
141.06985	6.3
142.07782	5.7
143.08551	25.8
145.06467	10.5
145.10121	40.7
147.08044	18.6
147.11655	14.2
149.09624	19.2
149.13220	16.1
151.07552	6.3
155.08499	12.0
157.10114	22.6
159.08072	22.7
159.11664	29.1
161.05960	100.0
161.09607	12.7
161.13287	16.2
162.09138	13.2
162.13493	4.9
163.07585	5.8
165.06990	9.4
165.09085	10.6
167.08615	6.2
169.10202	12.9
170.10880	5.8
171.08057	22.0
171.11658	15.0
173.09633	24.0
173.13281	16.8
175.07564	29.7
175.11189	7.4
175.14816	9.3
177.09059	7.9
179.08603	7.2
181.06514	5.8
181.10066	12.9
183.08023	6.9
183.11647	12.8
184.81076	5.2
185.09630	17.5
185.13260	10.8
187.11169	5.8
187.14774	15.2
189.09186	9.9
189.12735	9.2
191.10608	6.4
193.04951	5.2
193.10170	13.9
195.08089	10.1
195.11742	6.4
197.09621	14.9
199.11174	9.8
201.12750	11.5
203.17982	6.2
205.04971	8.1
209.09694	12.0
209.13248	8.7
211.07588	7.0
211.11264	9.0
213.09079	6.2
213.12778	9.6
215.10666	8.6
215.14400	7.2
219.13821	12.4
221.09712	6.9
223.11253	10.9
225.09076	8.4
225.12767	7.6
225.16321	6.9
227.10663	9.1
231.13799	8.0
237.12819	5.4
239.10620	6.3
247.11154	5.6
251.14343	7.9
253.15964	7.6
255.10201	7.4
255.13983	5.7
263.10666	5.9
267.10110	14.7
267.51459	5.2
269.15350	8.1
271.17163	6.4
277.12280	5.3
279.13800	10.9
281.15445	12.1
289.21820	5.7
295.13330	5.1
295.16864	8.1
297.14966	5.3
299.16708	6.5
323.16718	7.8
336.20807	10.1
341.17429	24.0
347.19974	8.5
375.19415	12.8
377.21152	15.3
393.20541	13.6
395.22229	15.0
403.19058	14.1
421.19958	12.1
439.21277	44.0
439.35974	12.9
440.21472	7.6
457.22302	18.6
457.30969	15.9
457.37289	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.6
64.98147	2.1
65.03937	2.7
67.05508	3.7
69.03426	15.1
69.07055	5.7
70.06601	2.4
70.23273	2.7
70.68925	4.7
70.69258	4.0
71.04983	4.3
72.08160	2.2
79.05485	5.3
81.03400	7.6
81.07050	8.7
83.04967	9.2
83.08552	2.3
84.95911	2.2
85.02898	10.6
86.09711	4.3
87.00764	2.7
91.05468	7.1
93.07039	8.4
95.04939	2.7
95.08603	18.0
97.02875	3.4
97.06509	3.0
99.04491	2.0
99.08061	3.6
105.07013	7.5
107.04966	3.6
107.08580	30.8
109.02884	5.2
109.06519	5.4
109.10171	15.3
119.08575	6.3
121.02866	100.0
121.06497	2.1
121.10139	27.1
123.08087	5.4
125.09649	13.7
127.03912	6.5
131.08562	5.3
133.10133	16.8
135.08035	9.8
135.11674	6.5
137.09627	9.8
139.11162	4.1
144.08093	30.0
145.10068	2.2
147.11703	8.0
149.02310	4.4
149.09601	12.6
149.13252	17.4
150.02707	4.4
151.11176	74.1
153.09154	3.1
155.05928	2.9
158.10878	3.4
163.14771	14.1
165.12750	4.1
167.03389	4.2
173.13254	16.2
191.14317	70.0
194.04494	3.9
209.15367	67.1
209.17383	3.2
237.18701	2.1
295.14011	5.3
457.19931	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01868	7.5
55.05499	7.0
57.07072	4.2
64.05296	3.1
67.05227	3.2
67.05508	33.5
69.03420	7.1
69.07056	14.5
69.63898	5.8
69.64301	18.6
76.19001	3.1
76.29751	2.7
79.05486	18.2
81.03413	27.4
81.07053	29.9
83.08611	5.6
91.05479	27.6
93.07049	20.2
95.00769	5.5
95.01333	81.1
95.04382	5.0
95.04974	89.3
95.08586	11.3
96.05289	6.3
97.06541	16.1
97.07069	3.7
98.59453	3.3
99.08124	4.0
103.05482	7.3
105.07035	60.5
107.04958	6.6
107.08593	39.0
109.06519	8.1
109.10153	8.0
115.05442	6.6
117.07026	16.1
119.04966	6.3
119.08579	34.3
121.06503	12.1
121.10139	12.7
123.04372	3.9
123.08086	3.6
123.11683	4.4
128.06221	7.5
129.07025	15.7
131.04922	4.3
131.08585	29.4
133.06502	42.2
133.10150	22.2
135.04443	4.8
135.08058	9.1
135.11697	16.7
141.06979	10.1
142.07759	7.4
143.08591	20.0
145.06474	14.1
145.10141	30.8
147.08063	19.0
147.11673	11.7
149.05984	7.8
151.07558	4.0
153.06931	4.7
154.07800	4.4
155.08571	12.6
157.10107	17.8
158.10956	3.5
159.08083	24.5
159.11679	19.9
161.05980	100.0
161.07285	6.8
161.09596	11.8
161.13231	6.9
163.07639	5.3
165.07014	6.7
166.07779	7.3
167.08568	10.1
168.09409	3.5
169.10124	12.6
170.10887	6.0
171.08061	26.9
171.11678	12.1
173.09625	20.8
173.13252	11.0
175.07573	25.4
175.11246	3.8
178.07750	3.8
179.08549	9.7
180.09312	4.4
181.10092	17.6
182.07269	3.9
183.08057	10.4
183.11760	15.4
184.08824	3.9
185.09590	12.9
185.13293	10.5
187.07442	5.5
187.11151	7.9
187.14818	13.7
189.09116	9.6
189.12706	4.6
191.10710	4.1
193.10162	7.7
194.10951	4.9
195.08022	8.5
195.11644	9.0
196.08781	4.5
197.09633	23.8
197.13272	6.4
198.10338	4.4
199.07542	6.3
199.11142	8.8
199.14775	4.1
201.05415	3.7
201.09125	6.7
201.12767	13.8
203.06842	4.9
203.14241	6.0
205.04947	6.5
205.10271	4.1
207.08043	4.7
207.11665	5.2
209.09659	15.0
209.13255	5.1
210.10352	5.4
211.07582	8.5
211.11148	13.1
211.14636	4.1
213.09135	6.2
213.12764	7.3
215.10638	8.7
215.14320	12.5
219.06471	3.9
219.11812	4.4
219.13795	12.9
220.12369	3.7
221.09633	8.6
221.13271	4.2
223.11113	8.2
223.14749	5.7
225.09123	13.1
225.12762	4.9
227.10620	14.8
228.11304	4.0
229.12260	6.3
229.15791	6.4
230.10750	5.4
231.13866	7.2
234.10414	3.4
235.11137	6.5
237.12741	5.6
238.09773	3.8
239.10718	7.6
241.12241	6.9
241.15990	7.3
247.11130	3.7
249.12674	3.6
251.10631	3.7
251.14288	7.7
253.12170	5.4
253.15852	9.8
259.11267	4.0
263.14197	5.9
265.12250	6.1
267.10129	11.8
269.15369	9.2
269.18552	4.0
271.16928	8.7
277.12225	5.7
279.13757	9.4
279.17392	4.8
281.12195	3.5
281.15298	15.1
291.13800	3.6
295.13220	7.0
297.14828	10.6
297.18286	7.1
299.16406	8.4
303.14087	3.4
305.14856	3.5
307.13293	7.5
315.19467	3.2
317.17700	3.4
323.16339	4.8
329.19128	4.3
329.42413	3.1
333.14783	5.5
341.17395	12.7
347.16299	3.9
347.20190	7.1
361.14297	7.8
375.19437	9.9
377.21320	17.1
381.20078	3.5
393.20505	17.8
395.22205	13.1
403.18842	15.2
411.21521	6.4
421.20068	12.8
439.21249	45.5
457.21957	13.2
464.17508	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
53.47513	0.8
55.01853	3.0
55.05506	1.6
57.03437	1.5
57.14716	0.9
61.02915	1.2
67.05489	2.4
69.03426	14.4
69.07042	2.4
69.72739	5.4
71.04981	1.7
73.02915	1.5
79.05484	2.5
81.03409	12.7
81.07065	4.7
83.04976	2.0
83.08649	1.1
85.02905	19.0
85.06521	1.4
87.00821	7.9
91.05475	3.9
93.07033	4.2
95.04964	2.3
95.08586	3.6
97.02894	7.8
97.06515	2.2
99.04463	4.0
99.08111	0.9
101.55936	0.8
105.01871	4.7
105.07012	7.8
107.08604	6.4
109.02878	8.8
109.06526	6.3
109.10134	3.2
111.08086	1.0
117.01852	1.3
119.08544	5.0
121.10138	11.7
122.07301	0.9
123.08088	4.3
123.11710	2.2
127.03903	12.4
129.01857	1.5
131.08549	5.5
133.10138	16.9
135.08006	2.1
135.11688	1.7
137.09616	10.8
145.04953	5.1
145.10078	2.6
147.02956	1.1
147.11682	3.1
147.39435	0.8
149.09608	24.6
149.13232	6.1
151.11172	42.6
158.10886	1.1
159.02893	5.9
162.79411	0.8
163.11198	1.1
163.14812	2.0
165.12753	34.4
165.14162	1.6
173.13271	11.8
174.23691	0.8
191.14293	15.5
193.15846	5.1
209.15361	100.0
210.15672	2.4
231.04964	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	457.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.3
57.07064	1.0
59.04981	0.8
65.03939	1.6
67.05500	2.4
69.03430	0.7
69.07055	1.7
69.50874	3.4
76.40371	0.4
79.05512	1.1
81.03409	0.8
81.07064	4.0
83.04992	0.9
83.08628	1.4
85.02878	0.8
91.05482	2.0
92.05009	6.6
93.07047	2.1
95.08611	5.3
97.06512	0.6
97.10188	0.9
98.20763	1.0
105.03399	4.5
105.07008	2.5
107.08589	4.1
109.06516	0.7
109.10162	3.4
110.65949	0.5
117.07045	0.5
119.08560	2.7
120.04465	37.6
121.10143	2.9
123.08096	0.9
123.11734	1.0
125.09665	3.7
128.06313	0.5
129.07083	0.7
130.06563	3.1
131.04965	0.6
131.08574	1.0
133.06519	0.6
133.10109	2.1
135.11694	1.5
137.13287	1.3
143.08551	1.2
145.10129	1.3
146.06049	1.2
147.11687	1.9
149.13319	0.9
151.07581	0.6
153.00905	0.5
153.07034	0.7
157.10121	0.9
158.05963	2.6
158.11012	0.5
159.11775	1.1
160.18155	0.6
161.13251	0.7
162.09097	2.7
165.09140	1.5
170.05965	0.6
170.09607	1.0
171.11629	0.7
172.07533	1.2
173.13301	0.9
174.05542	1.1
174.09079	1.1
175.14830	0.6
180.08054	1.3
181.08818	0.8
183.06808	3.2
184.07579	1.1
185.13274	0.5
186.05531	1.0
187.14885	0.6
194.09682	0.9
196.07565	1.1
197.08325	1.6
197.13385	0.6
198.09163	5.8
200.07050	5.5
201.16333	0.8
203.17979	0.6
204.06638	1.1
210.09052	0.7
212.07300	1.1
212.10683	6.3
216.09998	0.6
222.09187	1.7
226.04999	1.6
227.05807	0.9
238.08786	0.6
240.10222	3.5
241.07332	1.6
242.08121	7.3
254.08205	1.1
266.08136	3.5
268.06027	2.6
272.10666	1.5
278.08191	1.4
285.02545	0.5
290.11719	4.1
292.09656	0.7
292.12610	0.8
310.11118	0.7
313.09680	0.8
316.09705	1.6
317.10590	4.8
318.11215	8.1
320.09515	1.0
320.12845	2.3
325.13409	0.8
327.11301	1.4
335.11911	2.1
336.20850	1.3
337.09766	1.6
338.10400	1.0
341.09290	2.0
346.10593	1.2
349.09631	1.0
351.11188	1.5
353.09024	0.8
353.12836	7.3
356.11661	4.0
357.12134	1.1
363.11407	2.0
364.08047	0.4
364.11844	7.8
365.12784	1.0
366.09961	7.3
367.10727	2.9
369.08789	1.3
371.10477	0.7
379.10687	1.3
380.07648	0.6
380.11819	0.6
381.12363	28.3
382.12982	1.0
383.10254	4.9
384.10962	5.1
385.11844	4.1
391.10751	0.8
393.16220	0.6
395.10123	3.7
397.11646	3.5
399.13419	1.4
405.12573	2.4
406.13095	3.3
407.13803	0.8
409.11807	0.9
421.15460	20.9
422.15775	1.1
439.16534	100.0
440.16898	6.4
457.17538	0.7
457.26208	0.8
457.31943	1.1
457.37518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03736	0.4
53.03950	3.8
54.75671	0.3
55.01872	0.4
55.05500	0.8
58.06609	0.7
67.05497	1.1
69.03459	0.4
69.07066	0.8
70.06596	2.6
70.50455	0.4
70.50778	0.8
71.04994	0.4
72.08157	0.4
77.03939	1.3
79.05486	0.6
81.03428	0.8
81.07059	1.3
82.06587	0.5
84.08147	1.8
85.02857	0.4
85.06544	0.4
86.09740	0.4
91.05477	1.5
93.07044	0.9
95.04974	6.6
95.08603	0.9
96.05321	0.5
96.08961	0.3
97.10157	0.3
98.20772	0.4
99.04378	0.4
105.03397	100.0
105.07021	1.0
106.03722	3.1
107.03901	0.5
107.08592	1.1
109.02898	0.5
109.10153	1.1
110.09691	3.8
118.06549	0.4
119.04928	0.4
119.08602	0.6
120.08043	0.5
121.10169	0.7
123.11740	0.6
127.03931	0.4
133.10217	0.7
134.06012	2.8
147.11749	0.6
149.09639	0.4
157.10123	0.4
161.10751	12.3
162.09148	56.3
163.09453	0.8
173.10776	2.3
174.09175	5.7
175.03920	0.8
175.11174	0.9
176.04240	0.8
177.04314	0.7
203.17844	0.4
207.06511	0.9
208.06926	0.7
231.14929	36.8
232.15202	0.5
246.89810	0.4
270.59433	0.3
277.13181	0.5
283.14362	2.5
287.07770	1.0
288.08405	1.3
289.08939	1.0
306.67871	0.4
334.15298	0.6
334.19165	11.4
335.17490	5.7
438.22107	2.4
438.34579	0.4
456.23096	0.5
456.29520	0.5
456.35455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42618	0.6
53.03951	4.4
55.01860	2.9
55.05510	1.8
57.03425	1.9
58.63876	0.7
60.04533	0.8
61.02916	2.1
67.05508	0.9
68.99801	1.5
69.03427	11.9
70.06596	10.9
70.15559	0.7
70.89609	1.4
71.04993	20.2
72.08142	2.7
73.02917	4.2
81.03419	11.7
81.07067	0.8
82.06580	4.5
84.04491	1.7
84.08133	1.7
85.02904	25.2
86.09686	3.5
87.00825	12.2
87.04453	0.8
91.03954	1.3
95.04976	1.2
97.02883	12.7
99.04462	6.7
99.52835	0.9
105.01871	9.9
105.03413	0.7
106.60415	0.8
107.08609	0.7
108.04473	2.1
109.02881	14.3
109.06560	0.9
112.07597	2.4
113.06006	20.6
116.07085	1.3
117.01865	1.8
120.70245	0.7
121.88628	0.8
126.05522	0.7
127.03916	20.1
128.07085	10.6
129.01875	1.7
129.10295	0.7
131.07037	27.9
141.10190	0.8
145.02870	1.1
145.04976	9.8
145.08595	100.0
146.08916	1.6
147.11600	0.8
159.02866	6.2
163.03818	0.8
163.67206	0.7
173.08086	16.6
177.05534	3.9
191.09152	18.6
193.03735	0.8
197.69711	0.8
208.06110	2.7
208.14021	0.8
213.03946	1.3
231.05003	3.9
248.07681	0.9
294.13416	0.9
305.77975	0.7
325.07074	3.1
337.06931	1.4
379.08252	1.3
442.99557	0.8
456.22360	4.2
456.28177	0.9
457.11224	1.9
457.16876	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
54.31837	0.9
60.04528	13.1
69.03425	2.6
69.07047	1.2
69.49478	0.8
70.06602	4.4
70.99498	1.1
70.99835	2.1
71.04970	1.5
72.08186	1.1
74.30669	0.9
77.03934	1.4
79.05485	3.8
81.03429	5.6
84.08167	2.0
84.97236	0.9
85.02897	3.4
86.09674	2.1
91.05500	1.4
93.07053	2.0
95.04966	3.5
97.02905	5.1
98.48195	0.9
99.04459	2.2
103.05462	17.7
105.03391	27.3
105.04474	1.1
105.07037	2.1
106.06552	62.4
107.04955	11.1
107.06917	1.2
107.08608	1.0
109.02876	11.8
127.03933	4.9
131.04929	100.0
132.05280	2.8
133.10118	3.3
133.34709	1.0
140.10765	1.0
145.02284	1.0
145.08601	2.7
145.10147	1.1
148.07571	44.8
149.05997	2.3
149.07950	1.0
149.09627	1.2
160.07597	2.1
171.89668	0.9
173.13260	1.9
190.08633	51.7
191.08919	1.1
191.14325	2.9
208.09654	7.8
209.15294	1.6
257.08069	7.1
261.38641	0.9
275.09158	1.8
286.40866	1.0
293.10242	3.4
316.11707	1.4
334.12906	2.2
379.13947	2.2
456.21893	1.9
456.29239	1.0
457.16422	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
54.68520	0.6
55.01861	3.3
55.05500	1.8
56.05040	0.9
57.03420	2.5
60.04514	0.6
61.02918	2.6
67.05511	1.0
68.99783	1.3
69.03430	10.6
69.07059	1.3
70.06593	15.0
71.04988	18.5
72.08167	3.6
73.02908	3.8
79.05491	1.0
81.03419	11.1
81.07052	1.9
82.06580	4.2
83.05001	1.0
84.04501	1.0
84.08116	2.6
85.02904	25.1
86.09704	5.1
87.00825	11.7
87.04465	0.8
91.05463	1.1
93.07030	0.9
94.08437	0.6
95.04956	1.7
96.08128	1.1
97.02888	12.9
99.04454	5.8
102.05586	0.6
105.01873	8.8
105.03374	1.3
105.07026	0.9
108.04462	2.2
109.02135	0.8
109.02876	14.9
110.07171	1.0
112.07603	3.8
113.06001	17.6
116.07076	1.9
117.01852	1.1
117.03414	0.6
118.25037	0.6
119.08546	0.6
120.08063	1.2
121.02846	0.9
122.06091	0.6
124.07607	0.7
126.05464	0.9
126.54049	0.5
127.03918	20.5
127.07513	0.7
128.07089	10.6
129.01849	1.4
129.10226	1.6
131.07031	25.3
136.07608	1.0
137.05984	0.6
140.07091	2.6
145.02858	1.4
145.04950	9.0
145.08592	100.0
146.08902	1.1
147.02957	0.9
147.07776	0.6
155.06992	0.7
159.02893	6.1
169.13388	1.0
173.08101	14.5
173.09534	1.0
177.05508	2.3
183.14941	0.5
191.09146	15.6
193.04982	0.6
197.12811	0.8
208.06111	1.5
208.09770	0.9
211.14308	0.7
213.04047	1.5
230.06459	0.9
231.04961	5.0
248.07738	1.6
294.13361	2.3
325.07092	3.5
337.07248	1.0
351.08371	0.9
379.08258	1.5
402.60919	0.5
409.09079	0.5
409.27304	0.6
412.23416	0.7
421.09122	0.8
439.10202	0.7
439.34720	0.6
456.22256	2.6
457.11182	1.5
457.16913	0.7
471.73019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69246	1.1
51.84972	0.9
53.03933	2.3
55.05511	27.6
57.07061	3.9
60.76741	1.1
66.14645	1.2
66.59840	0.9
67.05506	18.7
69.03419	2.1
69.07069	83.3
69.87367	4.7
71.04963	1.7
79.05491	9.7
81.07056	27.0
83.04983	100.0
83.08607	6.2
85.06528	1.6
87.74467	1.2
91.05482	11.9
93.07047	17.7
95.04954	1.8
95.08606	30.8
97.06539	6.0
97.10163	4.5
99.08104	3.8
105.07037	22.0
107.08597	29.6
108.56690	1.2
109.06525	2.0
109.10152	29.9
111.08065	1.4
111.11711	1.2
117.07015	5.7
119.08581	29.1
121.10146	23.0
123.08068	4.7
123.11717	14.5
125.09628	12.1
128.06226	1.1
129.06999	4.2
131.08553	12.6
133.09149	1.1
133.10143	21.2
135.08029	1.3
135.11682	13.0
137.09575	2.7
137.13252	2.2
139.11208	2.4
142.07770	1.8
143.08554	6.2
144.09341	3.0
145.10123	20.7
147.08061	1.8
147.11688	18.4
149.09650	7.4
149.13257	3.7
151.11198	2.6
153.12767	1.6
155.08580	3.4
156.09346	1.8
157.10103	10.1
158.10844	1.2
159.11702	24.0
161.09615	1.8
161.13251	10.5
163.11206	2.0
163.14850	5.7
165.12733	2.2
169.10120	6.6
170.11154	1.4
171.11691	9.6
173.13260	17.1
175.11205	2.2
175.14835	3.8
177.12732	1.4
177.16412	1.5
181.10077	1.2
183.11719	6.5
185.13281	8.5
187.14818	10.2
189.12752	2.6
189.16385	6.7
195.11691	3.4
197.13321	5.3
198.13889	1.6
199.14844	7.2
201.12729	4.9
201.16415	9.2
203.14294	4.7
203.18001	2.4
205.15942	1.2
209.13206	3.3
210.14001	1.5
211.14838	4.5
213.16359	6.0
215.14229	2.7
215.17952	3.8
217.15929	2.3
219.17392	1.9
223.14792	2.1
225.16382	9.9
227.18015	3.2
229.19576	1.4
231.17522	2.7
238.41454	1.2
239.17961	3.0
245.18996	1.7
251.17921	1.9
253.19542	3.8
255.17395	1.4
255.21129	2.6
257.18948	1.9
267.20987	2.0
269.18951	2.7
271.20703	2.4
273.21835	1.4
278.20163	1.3
283.20544	2.2
285.22208	1.9
293.22620	3.3
294.46152	1.1
295.20599	1.1
309.22089	1.3
311.23685	50.7
312.23895	2.1
313.25269	2.4
323.27328	4.8
339.26801	3.5
341.28299	5.8
363.26715	1.6
419.33099	8.9
437.34201	26.1
455.35010	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	455.352
Annotation	Krukovine A
Peak:m/z	Relative Intensity
53.03950	1.6
55.05504	4.1
57.07074	2.6
67.05489	4.1
69.03418	1.2
69.07057	7.6
69.35956	8.8
79.05492	7.6
79.71313	0.9
81.07056	14.9
83.04976	0.9
83.08630	2.4
85.06547	2.1
91.05457	5.7
93.07043	14.0
95.04961	3.2
95.08604	18.1
97.06530	2.9
97.10177	1.2
99.08078	1.6
105.07026	11.2
107.04935	1.5
107.08582	19.9
109.06528	3.0
109.10149	11.9
111.08107	1.7
111.11675	1.3
115.05463	1.1
117.06998	2.2
119.08580	24.7
120.08918	1.5
121.06494	2.6
121.10133	13.2
121.31345	0.9
123.08098	2.3
123.11677	5.4
125.05992	8.5
125.09632	1.5
129.07027	1.1
131.08572	3.3
133.10120	24.3
135.08035	3.7
135.11685	23.1
137.09608	2.8
137.13287	2.1
139.07527	4.6
143.08563	3.4
145.10120	11.9
145.38589	1.0
147.08025	1.4
147.11685	16.3
149.09601	1.1
149.13220	3.1
151.11169	4.0
157.10094	3.5
159.08000	3.1
159.11676	6.8
161.09599	2.6
161.13297	3.2
163.14824	6.1
169.10077	1.6
171.11720	3.3
173.09615	6.7
173.13251	3.5
175.11162	5.7
175.14771	1.9
177.09126	5.0
177.16339	1.0
182.11057	1.1
183.11732	1.2
185.13281	1.7
187.11179	11.6
187.14793	10.7
189.12677	1.8
189.16380	45.1
191.10696	4.8
191.17943	1.1
197.13235	3.8
199.14824	1.5
205.15938	6.0
205.19536	2.2
207.17430	92.8
208.17783	3.1
211.14839	3.2
213.16371	2.3
215.14328	17.3
217.15932	1.3
229.15877	87.5
230.16197	2.9
231.17430	10.1
233.15366	32.0
243.17488	4.0
247.16913	29.9
249.18593	1.3
257.18991	2.6
283.20663	4.4
297.22141	1.2
419.33200	3.7
437.34128	40.7
438.34482	2.7
455.35187	100.0
456.35608	4.8
477.01547	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3519
Annotation	Krukovine A
Peak:m/z	Relative Intensity
55.05508	3.4
57.07069	2.0
59.03041	1.2
59.05006	2.4
67.05506	6.8
69.07068	10.5
69.96967	7.1
71.08614	1.3
79.05504	4.5
81.07059	15.2
82.95811	1.3
83.04954	2.0
83.08595	2.2
91.05476	5.6
93.07049	14.6
95.04975	2.7
95.08610	22.0
97.06554	2.0
97.10175	2.0
105.07027	10.4
107.08584	19.2
109.06538	2.4
109.10156	15.3
111.08135	1.9
111.11729	2.2
117.07015	2.6
119.08577	21.9
121.10150	14.8
123.08072	3.9
123.11727	6.8
125.09548	1.7
131.08571	4.4
133.10139	14.5
135.08000	6.3
135.11691	13.4
137.09660	2.0
137.13249	3.0
139.07573	1.8
143.08537	2.3
145.10138	8.5
147.11699	9.8
149.09589	4.0
149.13301	3.3
156.09358	1.3
157.10126	5.0
159.11630	6.3
161.04865	1.7
161.09659	4.6
161.13255	3.9
163.07533	7.0
163.14824	5.2
171.11722	3.7
173.09595	3.1
173.13239	2.3
175.11208	5.4
175.14848	2.5
177.16426	2.6
183.11717	1.8
185.13286	2.6
187.11107	1.8
187.14783	6.9
189.16382	16.3
197.13187	3.3
201.16444	1.4
203.18024	2.0
205.15868	2.9
205.19519	2.0
207.17441	20.5
208.17824	1.6
209.13208	1.5
211.14865	2.8
213.12959	1.7
213.16344	1.4
215.14359	12.2
229.15921	4.8
233.15401	5.6
249.14864	3.0
385.27560	2.2
397.31131	18.4
419.33075	5.5
430.54855	1.4
437.34189	67.9
438.34595	5.7
455.35217	100.0
456.35599	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	455.352
Annotation	Machaerinic acid lactone
Peak:m/z	Relative Intensity
53.03948	0.8
55.05510	3.5
57.07052	0.8
66.25085	0.7
67.05513	4.6
69.03419	1.6
69.07064	6.6
69.29320	5.6
69.29731	1.7
79.05499	3.2
81.07059	10.6
82.07447	0.7
83.04983	0.9
83.08627	2.8
91.05489	2.8
93.07051	6.3
95.04983	2.5
95.08610	18.4
97.10201	1.1
98.20824	1.5
99.08137	1.0
105.07030	4.4
107.08601	8.6
109.06495	1.6
109.10162	14.6
111.08068	2.1
111.11730	2.0
117.07023	1.1
119.08571	7.2
121.06504	1.8
121.10165	8.6
123.04427	3.2
123.08052	1.7
123.11693	5.3
125.09647	0.9
131.08574	2.4
133.06508	1.4
133.10132	6.5
135.08044	2.8
135.11693	5.4
137.05963	2.2
137.13272	2.5
139.07527	5.7
139.08528	0.8
143.08530	2.0
145.10130	4.6
146.74260	0.8
147.08055	2.9
147.11685	4.1
149.09679	1.4
149.13261	4.1
156.09409	1.3
157.10139	2.2
159.11696	5.6
161.09630	2.1
161.13255	2.7
163.11249	0.9
163.14821	1.7
171.11714	2.8
173.09641	1.5
173.13290	6.2
175.11229	2.5
175.14801	1.8
177.16328	1.0
183.11707	1.1
185.13248	5.0
187.11240	1.4
187.14835	3.0
189.12744	1.1
189.16454	1.8
191.17978	5.2
192.49498	0.8
199.10973	0.9
199.14886	1.3
201.16376	1.1
203.14331	2.1
203.18047	1.6
205.15942	0.8
205.19504	3.5
213.12833	3.4
213.16446	0.9
215.14258	1.8
217.12250	2.2
217.15878	1.7
227.14352	0.8
229.15973	1.5
231.13823	6.9
231.17453	1.0
233.04486	1.0
233.15359	3.9
247.17053	1.5
249.14807	1.6
259.16888	3.0
273.18530	0.9
277.12131	0.7
283.20432	1.0
299.19891	0.9
343.26306	3.2
393.31342	0.9
395.33337	1.0
401.32162	1.5
409.34668	3.2
419.33066	5.0
437.28070	1.5
437.34183	32.0
438.34518	2.2
448.41394	0.8
455.35205	100.0
456.35501	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	455.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
55.01868	6.6
55.05500	10.3
57.07075	4.7
61.47263	2.6
65.03927	4.5
67.05508	33.2
68.38013	2.6
69.03436	5.8
69.07065	23.2
71.04979	2.8
71.53490	4.8
71.53859	2.6
79.05499	25.2
81.03419	19.9
81.07059	29.3
83.04972	6.8
83.08609	6.7
85.02891	7.0
87.12634	2.6
91.05478	32.7
93.07047	28.6
95.01334	80.9
95.04971	60.6
95.08619	25.7
97.02914	2.8
97.10149	3.8
105.03394	14.3
105.07032	44.4
107.04939	5.6
107.08612	24.3
109.06522	11.5
109.10155	22.9
111.04401	2.7
115.05461	6.4
117.06998	9.3
119.04972	3.6
119.08593	37.7
121.02862	6.0
121.06519	12.3
121.10140	18.8
123.04459	4.1
123.08073	7.0
123.11664	5.2
125.06100	2.5
128.06192	5.8
129.00717	2.5
129.06982	13.0
130.07701	2.6
131.04904	4.3
131.08582	22.6
133.06491	12.8
133.10129	21.0
135.04442	5.4
135.08012	7.7
135.11684	14.1
136.58127	2.5
137.06010	5.2
137.13213	2.6
141.06987	3.6
142.07770	10.3
143.08562	23.8
145.02855	14.4
145.06462	8.8
145.10143	23.7
147.04413	7.4
147.08034	10.1
147.11703	13.8
149.05905	4.3
149.09647	6.5
149.13266	7.2
155.08577	13.4
156.09290	4.8
157.10158	19.6
159.04506	2.5
159.08037	7.8
159.11707	22.0
161.05972	22.3
161.09612	7.1
161.13257	16.9
163.03976	3.1
163.11218	3.4
163.14812	2.5
165.07027	5.4
167.08565	8.7
168.09424	3.7
169.10114	18.7
171.08073	8.2
171.11722	12.1
173.02379	3.0
173.05960	3.0
173.09688	3.3
173.13266	9.8
175.07591	5.0
175.11247	5.8
175.14795	5.6
177.05467	3.2
179.08582	6.1
181.06522	3.6
181.10117	9.0
182.11028	3.1
183.08066	8.0
183.11726	12.8
185.09604	9.1
185.13229	8.6
187.07625	3.4
187.11160	5.1
187.14873	3.9
189.09161	6.4
189.16447	2.6
191.03423	16.6
192.09392	3.5
193.10129	11.8
195.08060	5.9
195.11687	12.1
197.09576	9.8
197.13249	8.3
199.07495	4.8
199.11206	6.3
199.14853	7.2
201.05501	5.6
201.09036	5.4
201.12680	2.6
203.14415	4.1
204.09369	2.7
205.04955	7.1
205.10342	3.3
206.10831	3.3
207.06577	6.5
207.11615	8.1
209.09657	6.5
209.13254	8.1
211.11259	5.9
211.14804	7.7
213.09106	5.2
213.12791	5.1
213.16464	4.5
215.18008	4.3
218.10995	3.8
219.11696	4.4
220.12370	2.8
221.09642	7.3
221.13240	4.5
223.07529	4.0
223.11130	5.4
223.14746	4.6
225.12801	5.2
225.16302	5.3
227.10692	3.3
227.14380	4.5
227.17821	3.2
229.12326	4.4
233.09714	4.0
233.15291	3.3
235.11148	5.5
235.14822	4.6
237.12759	4.9
239.10822	3.9
239.14285	2.6
243.10091	4.3
243.13902	5.2
243.17351	2.6
245.13283	4.0
247.11162	4.3
249.12788	3.0
251.10829	4.4
251.14355	4.2
253.08372	4.1
255.13896	5.4
261.12762	6.1
263.14355	3.1
265.12003	2.6
267.17407	3.0
271.16962	3.7
273.12585	4.6
289.12402	4.0
293.15256	2.8
307.13217	8.1
321.18518	4.9
349.18033	5.4
363.19397	3.1
367.18918	8.7
377.17249	3.6
391.19196	5.8
393.20319	5.6
395.18713	5.7
409.20154	4.8
411.21786	4.1
419.18634	3.9
437.19836	5.2
437.30048	5.7
455.20609	100.0
455.30939	9.6
455.35370	11.7
456.21359	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	455.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01873	5.4
55.05508	3.6
57.07072	2.1
57.35310	0.8
58.24559	0.8
59.04998	2.5
65.03947	4.6
67.05509	32.0
69.03423	3.2
69.07066	5.3
69.73744	1.3
69.74153	3.6
71.04980	1.4
75.87209	0.8
79.05492	11.1
81.03423	13.1
81.07053	7.4
81.48402	0.9
83.04967	2.5
83.08592	1.6
91.05476	14.4
93.07045	10.4
95.00886	1.2
95.01331	51.6
95.04970	100.0
95.08599	5.9
96.05324	0.9
97.02892	1.7
97.06529	2.6
98.20898	1.4
103.05483	3.1
105.03427	0.8
105.07032	25.3
107.04970	4.5
107.08591	10.1
109.02886	2.2
109.06522	6.8
109.10135	4.9
111.04442	1.3
111.08090	2.2
114.03548	0.9
115.05421	4.5
116.06251	1.5
117.07008	6.7
119.04958	2.8
119.08587	12.8
121.02856	1.9
121.06537	6.6
121.10157	5.6
123.04459	4.3
123.08080	3.0
123.11691	2.9
125.05978	2.1
125.37898	1.0
128.06219	5.2
129.07007	7.1
130.07733	1.1
131.04884	2.3
131.08562	12.8
133.06494	12.0
133.10109	5.8
135.04468	1.5
135.08087	4.4
135.11668	2.0
135.53194	0.9
137.06001	2.8
141.06987	5.3
142.07777	5.2
143.08557	13.8
145.02803	1.7
145.06482	8.7
145.10123	10.1
147.04405	2.5
147.08044	8.3
147.11661	4.8
149.05986	3.5
149.09619	2.2
151.07552	2.9
152.06236	1.3
153.06993	3.7
154.07765	2.5
155.08572	8.5
156.09355	3.2
157.06508	4.2
157.10139	7.6
159.08049	8.9
159.11734	4.1
161.05980	24.9
161.09630	2.7
161.13284	1.7
163.07585	2.9
165.05769	0.9
165.07011	5.8
166.07777	4.3
167.08551	7.7
168.09352	3.1
169.06482	4.3
169.10164	9.3
170.07127	1.1
170.10936	2.6
171.08069	8.7
171.11671	5.8
173.05995	2.1
173.09615	5.1
173.13261	3.6
175.07538	7.1
175.11223	2.2
177.05518	1.7
177.09146	0.9
178.07817	3.2
179.07007	1.5
179.08534	8.7
180.09344	3.6
181.06543	2.9
181.10135	8.1
182.07260	2.3
182.10909	1.4
183.08080	8.9
183.11713	6.0
184.08780	1.3
185.06116	1.3
185.09619	8.1
185.13301	3.8
187.07623	3.5
187.11206	3.4
189.05524	3.7
189.09161	2.0
189.12830	1.9
189.16391	1.1
191.07060	1.4
191.08604	2.9
192.09349	2.7
193.06570	1.0
193.08661	1.1
193.10127	6.0
194.10884	1.8
195.08063	12.1
195.11681	6.0
196.08855	1.8
197.06055	1.2
197.09615	9.5
197.13324	3.4
199.07619	2.0
199.11211	4.5
199.14880	2.1
201.09160	3.6
201.12747	2.8
203.06987	1.4
203.08780	1.2
203.10713	2.6
203.14297	1.3
204.09448	1.4
205.04974	3.3
205.10182	3.3
205.12170	1.4
206.10899	2.3
207.06400	1.7
207.08147	3.2
207.11713	5.8
208.08762	1.7
209.09650	13.0
209.13222	4.9
210.10287	1.7
211.07556	3.9
211.11124	7.3
211.14763	2.3
213.09158	4.6
213.12729	5.6
213.16264	1.7
215.08711	1.1
215.10710	3.3
216.09415	1.8
217.10268	2.0
217.12189	2.0
218.10881	2.2
219.08125	2.9
219.11697	2.9
220.08788	1.2
221.09671	2.3
221.13326	3.8
222.10365	1.9
223.07605	2.8
223.11188	3.9
223.14877	2.9
225.09174	3.8
225.12794	3.0
225.16454	1.2
227.10707	6.2
227.14322	2.9
229.08478	1.6
229.12309	3.1
231.08182	1.7
231.11740	2.1
231.13823	2.7
233.09688	2.2
233.13339	2.0
234.10342	1.7
235.07549	2.9
235.11218	4.2
235.14902	1.2
236.11882	1.7
237.09129	4.2
237.12692	7.0
239.06989	2.2
239.10709	3.2
239.14336	3.1
241.08617	3.1
241.12402	1.8
241.15950	1.7
245.09721	1.1
245.15521	1.0
246.10364	1.1
247.11336	1.8
248.11662	1.3
249.09178	2.1
249.12729	4.9
251.14380	5.4
251.17874	1.1
253.08751	2.3
253.12346	2.5
253.15903	2.5
255.10236	4.0
255.13905	2.9
257.15405	1.9
258.10413	1.2
261.12772	2.0
263.10678	2.1
263.14392	1.1
265.12393	2.4
265.15921	1.7
267.10596	1.3
267.13861	6.3
269.15302	6.7
271.13400	1.6
271.17114	1.1
275.10596	1.6
275.14169	1.4
277.12311	3.5
277.15866	1.7
279.13895	5.9
279.17075	1.2
281.15530	1.5
283.12857	1.0
283.17001	1.5
285.00070	1.1
285.14993	2.5
287.16568	2.2
289.12155	1.7
291.10260	1.7
291.13721	1.5
293.11905	1.1
293.15442	1.0
295.13318	6.7
295.16504	1.5
297.14911	7.0
299.16653	1.1
303.13837	1.9
303.17279	1.3
305.15448	1.9
313.14453	4.2
314.03625	2.6
315.15976	3.5
323.16510	1.4
329.05875	6.0
331.15591	3.5
335.16522	1.5
345.18637	2.0
353.17380	2.0
357.05521	3.7
358.06158	1.6
363.19479	3.6
373.18036	3.7
375.19492	2.6
379.18958	2.6
381.20633	3.1
391.19067	7.3
392.19147	1.1
393.20566	3.6
401.17578	2.2
409.20132	14.4
419.18823	4.7
419.33124	1.1
437.19653	13.5
455.20706	41.8
455.35104	3.5
456.20798	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	455.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10530	3.5
53.03931	5.0
53.41310	3.4
55.01880	6.6
55.05507	8.7
59.04998	9.8
59.46043	3.4
65.03934	4.4
67.05505	23.1
67.97169	3.1
69.03421	8.9
69.07062	7.0
70.04139	15.9
72.69357	3.0
79.05500	16.3
81.03413	27.0
81.07052	10.5
83.04955	5.8
91.05476	25.0
93.07042	23.8
94.18424	3.5
95.01334	70.2
95.04970	69.3
95.08609	9.6
103.05452	4.1
105.07036	60.5
107.04992	3.6
107.08595	10.9
109.06513	14.2
109.10171	8.8
115.05426	5.3
117.07026	12.7
119.04919	7.1
119.08568	27.1
121.06501	15.3
121.10169	6.0
123.04428	4.3
123.08052	4.7
123.11696	3.7
128.06235	11.6
129.07010	11.2
131.08585	21.7
133.06487	25.9
133.10132	13.2
135.08031	5.9
135.11725	4.6
141.06981	10.0
142.07796	6.7
143.08545	28.4
145.02846	5.4
145.06508	16.2
145.10149	19.5
147.08063	9.7
147.11720	9.5
149.06023	6.8
149.09633	4.5
153.06952	4.7
154.07764	4.4
155.08600	15.1
156.09317	9.8
157.06502	3.3
157.10103	26.7
159.08098	10.1
159.11681	10.8
161.05969	67.7
161.09607	9.7
161.13280	6.9
163.07535	6.9
163.11171	5.1
165.07045	8.1
167.08582	11.9
168.09346	5.1
169.10117	29.5
170.10970	4.3
170.76379	3.8
171.08060	18.8
171.11754	13.6
173.09608	6.6
173.13286	5.4
175.07558	12.0
177.05402	3.6
179.08578	7.7
181.08722	5.3
181.10127	20.0
182.10883	6.3
183.08060	12.9
183.11754	21.9
185.06023	6.1
185.09674	7.3
185.13292	11.2
187.07552	10.5
187.11240	9.5
189.05495	8.7
189.09064	4.1
189.12727	9.3
191.03427	5.8
191.08604	4.5
192.09380	6.4
193.10138	15.0
194.10956	5.8
195.08102	6.2
195.11659	16.8
197.09712	9.0
197.13251	8.1
199.11232	4.9
203.06976	8.3
203.08649	5.6
203.14388	4.7
204.09225	4.5
205.04984	6.1
205.10190	5.0
205.12140	5.4
206.10948	11.1
207.08203	5.8
207.11707	11.8
208.12578	3.5
209.09721	18.7
209.13293	10.7
210.10370	4.6
211.07617	5.3
211.11063	7.3
213.09160	5.5
213.12733	6.0
217.10127	6.1
219.08028	7.1
219.11699	11.2
220.08910	4.2
220.12416	5.4
221.09666	9.7
221.13330	14.9
222.10429	4.3
223.11191	12.6
223.14780	7.2
225.09196	5.0
225.12787	6.8
227.07245	4.1
227.10652	12.9
229.12309	7.2
231.11778	6.3
232.08961	4.4
232.12677	4.4
233.09698	10.4
233.13290	6.1
234.10309	6.8
235.07433	3.5
235.11195	18.8
236.15582	4.1
237.12830	8.5
239.10846	5.0
239.14334	7.8
244.12318	4.6
246.10278	4.4
247.11182	12.7
248.11925	7.1
249.09200	5.5
249.12778	20.3
249.16400	3.8
251.10701	9.6
253.12399	6.4
255.10059	4.5
257.09583	3.7
257.13425	3.5
258.10345	5.2
259.11246	4.9
260.12134	3.9
261.09036	4.2
261.12689	9.0
261.15988	4.1
263.10730	5.9
263.14352	12.8
265.12238	10.2
265.16013	4.9
267.13959	6.7
273.12891	9.3
274.13428	5.2
275.10583	8.5
275.14346	7.6
277.12341	8.0
277.15668	4.5
279.10321	5.2
279.13861	6.8
279.17374	7.6
281.11569	4.6
281.15448	4.4
285.12570	3.9
287.10733	4.0
287.14279	10.2
289.12582	5.5
289.15863	10.8
291.10205	5.6
291.13718	8.4
293.12030	8.3
293.15359	8.2
295.16724	5.4
296.73123	4.0
305.11911	5.0
305.15332	6.3
307.13632	4.2
307.16931	11.0
309.14798	4.2
313.15738	4.3
317.15424	4.9
319.13565	7.6
319.16971	5.8
331.16928	8.3
333.14804	10.7
333.18481	8.4
335.16235	17.6
337.14349	4.8
347.20007	4.7
349.17987	10.6
351.15735	8.8
351.19775	4.1
353.17465	29.5
359.16412	8.4
361.14420	9.5
373.17935	9.7
375.19449	8.6
377.17596	20.3
379.15393	9.1
391.19077	24.2
393.20636	21.0
395.18585	32.7
397.16238	7.6
409.20203	6.2
411.21841	8.3
419.18494	9.4
437.19601	100.0
438.19901	7.6
455.20703	73.1
477.73410	3.4
481.44888	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	455.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
53.21299	2.0
55.01865	4.6
55.05501	2.8
59.04991	8.0
65.03921	5.1
67.05503	21.0
69.03421	6.5
69.07056	8.1
71.04995	3.1
71.52724	3.2
79.05490	17.0
81.03423	19.9
81.07066	13.2
83.04970	3.2
91.05475	20.8
93.07041	22.0
95.01337	57.2
95.04377	3.4
95.04971	58.5
95.08603	9.2
97.06527	2.6
103.05456	2.8
105.07023	37.1
107.04933	5.2
107.08627	12.3
109.06517	10.3
109.10162	7.5
111.08086	4.2
113.02486	1.9
115.05437	6.2
117.07023	12.5
119.04967	4.4
119.08593	21.3
121.06506	12.3
121.10159	8.9
123.04432	3.4
123.08053	6.0
123.11691	2.6
128.06242	5.9
128.64297	2.5
129.06990	9.5
131.04900	3.5
131.08562	18.9
133.06511	21.5
133.10121	12.6
135.08054	6.0
135.11726	4.7
137.06044	2.5
139.45749	2.0
141.07034	6.2
142.07768	6.0
143.08549	21.4
145.02834	3.1
145.06488	17.3
145.10114	18.6
147.04376	3.9
147.08051	10.4
147.11690	8.8
149.06052	3.4
149.09566	2.5
153.06969	3.6
154.07765	3.1
155.08531	13.7
156.09351	8.3
157.06532	4.0
157.10147	18.7
159.08037	12.3
159.11667	10.1
161.05984	48.5
161.09679	8.4
161.13289	6.4
163.07552	4.1
165.06981	4.2
166.07841	4.2
167.08578	8.8
168.09332	4.2
169.06531	4.4
169.10118	22.8
171.08073	9.9
171.11656	15.8
173.09647	5.3
173.13295	2.7
175.07549	10.8
175.11197	3.1
177.09096	3.5
179.08574	7.5
180.09305	3.4
181.08661	4.7
181.10144	12.7
182.10892	2.6
183.08086	8.0
183.11685	18.3
185.06020	4.8
185.09625	8.7
185.13271	9.0
187.07510	9.1
187.11217	7.8
187.14793	3.0
189.05508	6.0
191.03452	4.2
191.08575	2.9
191.10626	2.1
192.09354	3.6
193.10132	11.8
194.07253	3.4
194.10847	3.3
195.08095	8.4
195.11714	11.5
196.08858	3.8
197.09631	10.7
197.13284	7.1
199.11171	8.7
199.14838	3.5
201.09169	2.7
203.07008	6.7
203.10635	2.5
203.14284	2.5
204.09320	4.4
205.04910	7.1
205.06682	2.7
205.10213	5.7
205.12225	4.2
206.10930	5.4
207.06429	5.1
207.08171	3.1
207.11702	11.5
208.12419	3.2
209.09641	13.4
209.13199	6.8
211.07614	3.8
211.11192	8.8
211.14948	2.6
213.09093	5.4
213.12801	6.2
215.06958	3.7
216.09579	2.7
217.10211	5.2
218.10831	2.6
219.08163	4.9
219.11681	10.5
220.08871	2.9
220.12360	3.4
221.09650	8.0
221.13193	10.1
222.10255	3.2
223.11205	8.5
223.14890	5.5
225.09114	6.8
225.12836	3.7
227.10699	5.9
227.14381	5.4
229.12184	10.6
231.06398	2.9
231.11739	5.8
232.08853	4.3
233.09598	8.8
233.13257	8.0
234.10388	3.9
235.11160	12.1
235.14803	5.8
236.11830	4.4
237.09138	6.5
237.12733	8.2
237.16399	4.0
239.10690	3.9
239.14253	5.3
241.12332	3.5
243.11720	4.9
244.12448	2.9
245.13269	4.4
246.10347	4.7
247.11183	9.7
247.15056	4.6
248.11969	4.8
249.09114	3.3
249.12732	14.7
250.09914	2.4
251.10640	5.4
251.14236	6.3
253.08495	3.8
253.12376	5.9
255.10075	2.7
257.13260	3.2
257.15567	2.9
258.10315	2.8
259.11249	7.0
260.12003	5.3
261.12708	10.0
262.09933	2.7
262.13470	2.8
263.10681	2.9
263.14322	6.7
264.11475	3.3
265.12305	8.9
265.15854	3.6
267.10184	2.9
267.14001	3.8
272.11948	4.2
273.12674	7.6
273.16306	1.9
274.13525	3.0
275.10941	4.5
275.14291	8.5
277.08545	3.1
277.12369	3.8
277.15863	2.7
279.13861	2.8
279.17560	4.8
281.12167	2.6
281.15320	4.3
287.14307	8.2
289.12289	6.2
289.15829	8.5
291.10168	3.2
291.13840	3.7
291.17191	3.0
293.11795	9.7
293.15094	4.3
295.16928	3.2
301.12115	3.8
301.15619	3.6
303.17294	4.2
305.12067	2.6
305.15332	6.7
307.13608	4.4
307.16965	8.8
309.14798	3.6
309.18381	3.7
313.11847	2.6
315.14038	2.6
315.17233	3.5
317.15103	2.2
319.13525	4.7
319.16919	4.9
321.14902	3.4
321.18475	2.6
327.17346	2.5
331.13309	5.1
331.16910	8.4
333.14838	9.0
333.18533	6.8
334.15421	2.9
335.12918	3.1
335.16507	13.1
337.14603	4.0
339.16058	2.4
345.18350	4.2
349.14352	2.9
349.18103	4.4
351.16068	10.3
351.19662	3.7
353.17487	21.6
357.18546	3.2
359.12427	2.6
359.16403	6.3
361.14294	6.3
363.19577	5.0
367.19159	4.7
373.18118	8.0
375.19763	6.9
377.13785	2.6
377.17657	19.5
379.15247	10.2
391.19092	20.0
393.20694	16.5
395.18689	21.8
397.16306	6.5
401.17456	4.7
409.20132	9.3
411.21683	5.7
419.18463	14.5
437.19614	100.0
438.19818	7.0
455.14246	4.4
455.20667	70.6
455.26883	4.7
455.34924	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	455.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01873	5.1
55.05508	6.4
59.04993	2.9
60.73358	1.0
65.03943	6.2
65.55338	1.0
67.01880	1.6
67.05506	38.9
69.03439	6.2
69.07059	6.7
71.05002	2.6
71.51688	1.4
71.72530	1.1
79.05491	13.1
81.03416	16.9
81.07055	10.7
83.04985	14.7
83.08625	3.1
91.05486	19.2
93.07039	15.1
95.00693	1.4
95.00800	0.7
95.01331	49.8
95.04969	100.0
95.08611	8.8
96.05296	1.5
97.02901	2.2
97.06554	5.0
97.10139	1.2
103.05501	4.5
105.03388	2.4
105.07034	31.6
107.04984	4.9
107.07903	1.5
107.08599	18.8
109.02887	2.8
109.06528	6.8
109.10159	10.7
111.04446	1.6
111.08129	3.0
115.05479	3.4
116.06279	1.5
117.07014	8.3
119.04974	3.9
119.08596	14.1
120.37449	1.1
121.02913	2.2
121.06502	10.9
121.10157	7.2
123.04459	3.9
123.08065	5.6
123.11742	3.2
125.05994	1.4
125.09668	1.8
128.06200	5.6
129.07004	9.6
130.07791	1.9
131.04926	2.6
131.08536	13.3
132.05635	1.4
133.06496	14.7
133.10118	11.1
133.90596	1.2
135.04459	1.8
135.08040	19.8
135.11740	5.4
137.06004	1.9
137.09668	3.4
141.07031	5.0
142.07806	5.5
143.08551	12.3
144.05708	1.2
145.06493	10.7
145.10130	11.2
147.04428	2.9
147.08037	8.1
147.11710	6.3
149.06023	3.8
149.09659	4.2
149.13330	1.4
151.07553	2.0
151.11145	2.0
152.06236	1.3
153.07007	2.7
153.09175	1.3
154.07793	4.1
155.08557	7.7
156.09428	3.7
157.06555	4.0
157.10149	9.1
159.04446	1.7
159.08076	11.7
159.11655	6.7
161.05981	30.2
161.07248	1.8
161.09578	6.1
161.13310	2.8
163.07593	3.6
165.07042	4.7
166.07840	3.9
167.08537	7.4
168.09323	2.4
169.06534	3.9
169.10106	9.3
170.07321	1.4
171.08043	9.8
171.11696	5.8
173.06046	3.1
173.09657	6.2
173.11792	1.6
173.13319	3.6
175.07558	11.8
175.11197	2.2
175.14877	1.4
177.05458	1.9
177.09131	2.5
178.07822	1.6
179.07175	1.8
179.08636	6.0
180.09402	4.0
181.06593	3.4
181.10127	8.4
182.07306	3.5
182.08914	1.2
182.10730	1.6
183.08051	8.9
183.11684	6.8
184.08960	2.0
185.06020	1.6
185.09518	6.4
185.13242	5.8
187.07571	6.6
187.11266	4.3
187.14815	2.4
189.05513	5.0
189.09166	4.5
191.07051	1.9
191.08659	1.9
192.09404	1.8
193.08629	1.7
193.10204	6.4
194.11015	2.2
195.08047	9.7
195.11832	4.9
196.08897	3.5
197.09622	10.7
197.13387	3.8
199.07692	4.0
199.11086	5.7
199.14896	2.9
201.09161	6.2
201.12831	3.3
203.07028	1.7
203.08762	2.4
203.10646	2.5
203.14418	1.7
205.05054	4.0
205.10222	2.0
205.12314	1.5
206.10925	2.8
207.06569	3.4
207.08212	3.2
207.11786	4.4
209.09660	10.3
209.13353	4.5
210.10429	2.0
211.07623	4.4
211.11177	5.8
211.14745	1.6
212.08357	1.4
213.09193	4.9
213.12790	3.6
215.06961	1.7
215.10741	4.4
217.10201	2.8
217.12170	2.3
219.08221	2.0
219.11794	3.8
220.08925	1.5
221.09677	3.6
221.13284	3.5
222.10547	2.0
223.07742	2.4
223.11237	4.3
223.14935	2.4
225.09119	6.5
225.12811	4.0
226.10060	1.5
227.10657	6.8
228.11371	1.6
229.08684	1.7
229.12210	3.0
231.11932	1.6
231.13922	2.4
232.08838	1.6
233.09648	3.4
234.10472	1.7
235.07565	1.6
235.11259	4.1
236.07047	2.3
236.12015	2.1
237.09233	4.0
237.12868	4.7
239.10840	3.5
239.14293	2.8
241.08589	1.7
241.12325	2.1
241.16006	1.4
243.10130	2.2
245.09779	2.7
245.15425	1.5
246.10475	1.3
247.11234	4.3
249.09161	2.1
249.12860	3.9
251.10567	2.2
251.14484	4.7
253.12398	1.9
253.15878	1.9
255.10310	2.3
255.13829	1.7
259.11346	2.0
261.12827	2.4
262.09903	1.5
263.10809	2.2
263.14380	1.4
265.12341	3.4
265.15942	1.6
267.13971	3.4
269.11673	1.6
269.15540	4.5
273.12781	1.5
275.10971	1.6
275.14383	2.3
277.12265	2.4
279.13925	5.4
280.09842	3.8
281.08243	1.7
281.12036	1.6
285.09021	1.6
287.14221	2.4
289.12296	2.9
291.13922	1.8
294.63303	1.3
295.13428	4.0
295.17126	1.5
297.15005	3.6
297.18692	1.5
300.11346	1.5
303.13867	3.9
305.15726	1.4
307.13519	1.7
310.07236	2.2
313.14694	3.3
315.16595	2.4
317.11865	1.7
319.12634	1.3
321.14954	2.4
331.13290	3.6
333.15042	2.4
335.20236	1.7
345.18680	3.1
347.20309	1.9
349.14380	3.0
349.18436	1.6
355.16974	2.7
359.12918	2.6
363.19724	4.4
373.18256	4.6
375.19803	3.3
377.13870	2.4
379.19162	2.0
380.19974	1.8
381.20734	2.7
391.19208	8.2
393.20792	3.2
401.17575	1.9
409.20090	17.1
411.21964	3.7
419.18506	7.4
437.14832	2.2
437.19769	15.0
437.34528	2.9
455.16129	3.1
455.20886	43.2
455.35587	7.9
456.21393	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	455.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.3
55.05501	10.3
57.07066	2.8
59.04999	5.2
65.03925	6.9
67.05502	40.1
67.23959	2.2
69.03445	4.1
69.07059	9.6
69.86032	2.6
70.56059	6.8
71.04990	2.9
79.05498	13.6
81.03424	24.0
81.07059	25.0
83.04979	6.1
83.08635	4.5
86.09700	3.3
91.05473	19.7
93.07043	27.5
95.01328	78.1
95.04373	5.3
95.04966	100.0
95.08612	23.4
97.06533	9.2
103.05475	2.6
105.07032	28.3
107.04925	6.3
107.08591	28.3
109.06515	8.5
109.10163	25.1
117.07000	9.2
119.08580	30.2
121.06509	10.4
121.10122	21.1
123.08077	3.2
123.11681	6.9
128.06227	4.7
129.06990	10.0
131.04910	4.1
131.07750	2.8
131.08505	14.3
133.06485	8.7
133.10130	16.0
135.08101	4.2
135.11693	15.3
141.06966	5.7
142.07761	8.3
143.08568	18.2
145.06494	11.6
145.10115	20.3
147.04398	3.7
147.08049	5.9
147.11691	11.5
149.06006	4.3
149.09669	4.2
149.13263	6.1
151.07600	2.9
151.11200	2.7
153.07030	3.6
154.07738	4.3
155.08559	11.4
156.09340	4.8
157.06535	4.0
157.10144	21.6
158.07204	2.8
159.08058	11.9
159.11699	11.6
161.05974	14.9
161.09636	4.2
161.13298	4.8
163.14838	5.1
165.06985	6.0
167.08574	9.0
168.09253	3.3
169.06516	6.0
169.10153	15.3
170.10846	3.2
171.08055	12.3
171.11627	12.3
173.09628	6.7
173.13284	8.9
175.07571	8.3
175.11099	2.8
175.14891	5.0
177.05482	3.8
178.07823	4.2
179.08606	10.7
180.09245	2.7
181.10045	13.2
183.08083	10.8
183.11717	6.4
185.05937	5.0
185.09656	10.2
185.13242	11.9
187.11119	6.6
187.14832	7.2
189.16324	6.5
190.07899	2.8
191.08626	4.3
191.17972	6.3
192.09337	4.3
193.04930	16.4
193.10168	9.8
195.08043	6.9
195.11671	11.4
196.08720	4.2
197.05946	5.1
197.09550	17.0
197.13309	8.0
199.11214	6.9
199.14810	4.6
201.05421	3.4
201.09119	2.6
201.12744	5.3
201.16342	5.7
203.17975	4.2
204.09346	3.8
205.04926	4.4
205.10057	4.4
207.08113	5.9
207.11707	8.3
208.08855	6.4
209.09679	19.7
209.13268	7.1
211.07597	6.9
211.11163	11.2
211.14815	8.3
212.15623	3.0
213.09200	4.3
213.12733	4.5
213.16370	5.6
215.10648	3.4
215.14301	7.1
217.10269	4.9
218.10841	3.9
219.08073	3.6
219.11742	5.9
220.08871	4.9
221.09674	8.0
221.13239	3.5
222.10400	5.0
223.11226	11.1
224.11725	4.2
225.09119	9.5
225.12749	5.2
227.10599	6.4
229.15750	3.3
231.11580	3.3
232.08856	5.6
233.09532	9.2
233.13252	2.8
234.10413	4.3
235.07545	9.5
235.11205	12.4
237.09155	7.7
237.12689	7.0
245.09616	8.0
246.10315	6.1
247.11229	9.8
248.08366	3.5
248.11974	3.0
249.09074	9.9
249.12817	6.5
251.10684	11.6
251.14041	3.8
253.08607	9.1
253.12289	4.7
253.16013	3.7
259.11151	4.1
261.12772	3.3
263.10666	10.3
263.14310	8.7
265.12265	10.1
267.13797	5.1
273.12756	4.0
275.10590	5.3
275.14255	4.0
276.11749	3.3
277.12173	4.2
277.15845	7.6
279.13904	4.8
283.28235	10.0
289.12094	2.6
289.15674	3.3
291.13754	13.8
293.11752	9.1
295.13663	3.3
295.16891	4.0
297.15057	4.1
303.13721	3.3
305.15555	12.9
306.16058	6.2
307.16861	10.3
309.15045	3.4
311.12753	5.2
312.13519	2.9
314.27902	6.7
317.11658	3.7
319.13376	8.0
323.16348	4.3
331.13248	11.2
333.14749	8.8
334.15469	5.5
337.14310	3.2
345.18585	4.1
347.20212	3.0
351.15903	12.2
352.16797	12.3
359.12698	4.6
362.19232	3.5
363.19492	6.6
373.18018	7.1
377.13672	3.8
381.13434	3.1
391.19077	17.3
393.20761	4.8
401.17703	3.1
409.20160	11.2
419.18625	12.0
419.33093	5.9
425.19513	4.9
437.19757	33.6
437.34305	20.0
455.20847	32.5
455.35278	66.5
456.20422	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	455.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01864	5.8
55.05505	5.5
58.73792	1.4
59.04990	6.3
61.91935	1.4
63.18594	1.3
65.03942	3.3
67.05508	22.4
68.11337	1.5
69.03416	7.9
69.07064	5.5
69.86670	7.4
69.87079	2.6
79.05492	13.9
81.03420	22.1
81.07046	9.9
83.04977	6.4
83.08603	2.4
85.06522	1.6
91.05479	18.7
93.07041	16.3
95.01328	48.1
95.04963	63.3
95.08600	5.2
97.02897	2.6
97.06499	2.3
98.98244	1.5
103.05460	4.1
105.07032	34.5
107.04955	6.8
107.08585	10.1
109.02897	1.5
109.06513	12.5
109.10162	5.1
115.05461	5.3
117.07016	8.7
119.05035	1.7
119.08575	21.0
121.02872	2.2
121.06500	14.9
121.10101	7.4
123.08057	4.8
128.06209	7.1
129.06978	12.5
131.04910	4.7
131.08575	12.9
133.06508	19.4
133.10101	7.8
135.08034	6.3
135.11673	2.6
137.06001	3.6
139.03909	1.8
141.07021	6.1
142.07784	5.4
143.08559	18.4
144.05698	1.5
145.02841	3.8
145.06474	13.8
145.10109	17.7
147.04521	1.9
147.08037	8.0
147.11691	6.4
149.06000	3.2
149.09604	2.0
151.07504	1.8
153.07021	4.0
154.07831	1.6
155.08571	13.4
156.09329	4.8
157.06516	3.6
157.10141	17.5
159.04506	2.1
159.08058	9.6
159.11716	8.7
161.05983	40.8
161.07272	2.7
161.09621	6.1
161.13246	7.8
163.07584	4.1
163.11218	2.0
165.07021	7.5
166.07829	3.0
167.07321	2.0
167.08537	8.1
168.09267	2.2
169.06461	3.9
169.10143	17.6
170.10951	2.5
171.08031	15.3
171.11652	12.0
173.09630	5.8
173.13295	3.3
175.07535	7.2
175.11168	3.3
177.09183	1.7
178.07806	2.8
179.07187	2.2
179.08603	9.8
180.09357	4.3
181.06561	4.0
181.08589	4.2
181.10158	11.0
182.10855	1.7
183.08087	9.0
183.11659	18.6
185.06052	2.2
185.09593	10.7
185.13280	6.9
187.04019	1.9
187.07555	7.0
187.11134	7.3
189.05460	7.5
189.07051	1.8
189.09111	3.5
189.12794	4.8
191.03427	3.4
191.08572	2.6
192.09305	7.0
193.05028	1.9
193.10083	13.5
194.10928	4.4
195.08011	9.5
195.11723	11.5
196.08846	3.8
196.12405	2.1
197.05952	4.0
197.09566	9.7
197.13223	9.9
199.07536	3.2
199.11169	8.5
199.14851	3.5
201.05435	2.1
201.09195	4.8
201.12753	3.5
202.07851	1.8
203.07002	3.8
203.08640	3.9
203.10577	2.2
203.14348	2.4
204.09294	2.9
205.04956	3.7
205.06718	1.9
205.08501	1.8
205.10175	6.8
205.12241	4.4
206.10857	8.0
207.06479	1.7
207.08208	3.8
207.11662	13.1
208.08876	3.6
208.12471	1.9
209.09647	11.5
209.13177	9.2
211.07567	4.1
211.11147	7.1
211.14807	3.2
213.09116	4.0
213.12764	4.1
215.06989	3.2
215.08772	3.2
215.10677	3.1
216.09398	3.3
217.10240	5.2
218.10881	3.0
219.08092	5.1
219.11821	7.6
219.13606	1.6
220.08815	3.2
220.12456	4.9
221.09659	8.2
221.13252	9.0
222.10406	4.6
223.07567	1.8
223.11194	12.0
223.14821	4.5
224.11916	2.2
225.09146	7.4
225.12759	5.8
227.07024	3.6
227.10648	8.5
227.14352	3.3
228.09358	1.9
229.10139	4.6
229.12288	6.8
230.10924	3.6
231.06577	3.2
231.11757	7.5
231.13835	2.7
232.08908	4.7
232.12660	1.8
233.09735	7.6
233.13292	6.2
234.10408	4.4
235.11131	11.3
235.14906	6.8
236.11790	4.2
237.09145	3.2
237.12675	8.8
237.16438	3.2
239.10744	6.1
239.14334	4.5
241.12279	3.4
243.11838	3.4
244.12453	2.7
245.09784	1.8
245.13300	6.1
246.10394	3.0
246.14101	1.6
247.11221	11.6
247.15019	2.7
248.11938	4.6
249.09215	3.3
249.12648	12.1
249.16495	4.1
250.09821	2.8
250.13498	2.8
251.10675	4.0
251.14313	4.5
251.18097	1.7
253.08437	2.9
253.12268	6.8
255.10146	6.8
257.09503	2.2
257.13339	2.4
258.10455	2.6
259.11169	7.2
259.14935	3.1
260.12039	2.4
260.15482	1.8
261.12790	11.8
261.16434	2.3
262.09732	1.6
263.10764	6.6
263.14182	11.3
264.11533	1.7
265.12305	7.5
265.16019	3.4
267.10355	3.7
267.13834	4.1
270.14008	1.9
271.11279	2.5
271.14594	3.3
272.12015	3.8
273.12683	8.7
274.13492	2.9
275.10666	4.2
275.14279	6.1
277.08624	1.6
277.12250	7.5
277.15833	4.4
279.10483	2.6
279.13852	4.2
279.17426	5.8
281.15375	4.5
285.12610	4.3
287.11142	2.0
287.14282	8.4
287.17368	1.5
288.15082	4.5
289.09143	2.1
289.12296	5.2
289.15851	7.6
291.10318	3.0
291.13760	6.4
291.17148	2.3
293.11694	6.4
293.15237	4.2
295.13467	2.3
295.16931	2.4
299.14471	2.2
301.12219	3.4
302.16556	2.9
303.13791	5.6
303.17438	5.1
305.11926	3.0
305.15460	6.3
307.13428	4.1
307.16998	10.1
309.15179	2.5
309.18539	2.6
313.15628	2.1
315.13727	4.0
315.17401	2.0
316.14563	1.8
317.11795	1.9
317.15390	3.1
319.13272	4.6
319.16843	3.6
321.14929	3.1
321.18390	2.0
323.16544	2.3
327.17358	2.5
329.18842	1.9
331.13354	3.9
331.17004	7.1
333.14835	11.3
333.18546	6.6
335.16406	11.9
337.14386	3.6
339.16016	1.8
345.18469	3.8
347.16290	3.6
347.20102	3.3
349.14313	2.1
349.18088	6.2
351.15921	5.6
351.19666	2.3
353.13690	2.7
353.17545	19.8
355.16861	4.8
357.18475	1.8
359.12598	2.4
359.16559	2.9
361.14410	7.7
361.18234	2.2
362.18808	2.0
363.19550	2.7
365.21204	2.9
367.18994	4.3
373.17819	12.2
375.19592	6.4
377.17426	15.9
379.15393	9.5
391.19073	18.5
393.20602	14.0
395.14859	1.3
395.18716	20.7
397.16434	5.6
401.17618	4.7
409.20206	13.0
411.21677	6.8
413.15945	2.0
419.18454	11.6
437.19577	100.0
438.20029	5.5
455.20654	64.3
456.21283	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	455.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.7
55.01860	8.4
55.05506	7.3
55.31193	2.5
65.03921	6.8
67.05502	37.9
69.03422	6.8
69.07058	8.9
73.29926	2.2
79.05486	24.5
79.83229	2.4
81.03418	34.9
81.07053	8.7
83.04987	6.4
83.08603	3.4
91.05486	35.0
93.07039	21.0
95.01331	45.0
95.04974	69.2
95.08591	11.0
97.06539	9.0
103.05456	7.6
105.07028	54.3
105.07696	4.5
107.04946	9.9
107.08599	16.5
109.06509	8.6
109.10142	14.3
111.04492	2.4
111.08086	7.1
115.05452	11.6
116.06231	2.6
117.07022	14.8
119.04935	7.0
119.08575	23.2
121.06496	16.7
121.10147	13.6
123.08051	8.8
123.11700	3.8
128.06238	11.7
129.07013	17.7
129.39085	2.8
131.04930	7.4
131.08549	13.9
132.05878	2.5
133.06459	29.3
133.10127	11.3
134.05959	4.9
135.04443	3.3
135.08023	12.5
135.11674	3.5
137.09654	3.3
141.07001	7.6
142.07782	9.0
143.08569	10.5
145.06506	16.6
145.10139	9.7
147.08046	16.4
147.11722	4.6
149.05971	4.9
149.09641	12.3
151.11186	4.4
152.06204	2.9
153.07034	5.0
154.07758	11.7
155.08578	11.7
156.09402	3.9
157.06500	10.7
157.10170	12.7
159.04439	3.1
159.08037	17.4
159.11716	10.5
161.05981	69.7
161.07286	4.9
161.09647	10.8
162.06560	3.0
163.07565	7.1
163.11191	2.7
165.06981	8.6
165.09164	3.2
166.07817	3.9
167.08569	8.4
169.10098	22.5
171.08044	12.7
171.11716	6.9
173.05998	6.9
173.09628	9.8
173.13310	6.3
175.03951	5.5
175.07532	29.3
177.09137	4.4
177.12772	2.8
178.07753	5.5
179.08560	14.9
180.09354	4.9
181.06508	5.7
181.10185	10.3
182.07310	4.3
183.08078	12.8
183.11702	6.7
184.08807	3.9
185.05997	7.3
185.09613	10.2
185.13283	3.4
187.07533	10.3
187.11217	7.5
189.05519	6.3
189.09105	7.4
191.08640	6.4
192.09320	4.1
193.10133	9.0
194.10780	3.4
195.08110	7.8
195.11682	6.8
196.08852	4.4
197.09605	45.3
197.13263	3.9
198.10385	3.5
199.07565	10.3
199.11256	7.4
201.08989	5.0
201.12781	5.1
202.07639	3.4
203.06995	6.2
203.08635	3.3
205.04904	12.7
205.10152	5.6
206.10899	4.2
207.06548	6.4
207.08253	3.5
207.11684	5.8
208.08842	3.6
209.09657	21.6
209.11507	4.7
209.13403	4.0
211.07567	9.9
211.11230	10.0
213.09180	8.3
213.12836	3.4
215.06912	3.4
215.08792	4.3
215.10623	15.1
217.10268	3.8
217.12195	6.6
218.10976	4.2
219.08160	4.9
219.11842	4.4
220.08827	5.9
221.09613	8.4
223.11212	9.1
223.14821	3.1
225.09175	14.4
225.12747	7.1
227.06943	3.5
227.10762	7.4
227.14360	4.1
229.10297	4.5
229.12204	4.0
231.11766	3.8
231.13789	5.3
232.08749	3.9
232.12387	3.6
233.09665	4.8
234.10248	4.0
234.14015	3.0
235.11261	12.0
237.09096	8.7
237.12793	6.1
239.10732	7.4
241.12311	4.0
243.10095	6.0
244.12489	2.8
245.09663	8.2
246.10500	3.8
247.11247	7.2
249.09151	4.4
249.12830	4.3
251.10854	5.6
251.14297	5.9
253.08505	6.6
253.12373	7.5
257.13266	4.2
259.11163	5.8
260.11948	4.5
261.12906	6.4
263.10620	14.7
265.12466	4.4
267.10223	4.4
269.12024	5.4
269.15350	6.0
270.10504	6.4
271.11096	5.8
272.12155	7.3
273.07391	13.2
273.12799	10.3
275.10678	5.1
275.14301	7.0
277.12344	4.0
277.15836	3.4
279.13806	3.6
281.08118	4.9
281.11725	3.1
285.09195	5.1
285.12930	10.6
287.11188	5.0
287.14395	8.2
288.11383	3.7
289.12283	8.6
291.13864	6.0
293.15353	4.2
298.09790	4.8
299.10287	5.5
300.11484	6.2
303.10730	3.4
303.13861	18.7
303.17142	3.8
304.14420	3.3
305.15381	7.7
307.13345	7.1
309.11563	4.5
311.16528	3.9
313.12207	12.9
315.14008	17.2
317.11603	5.0
321.14963	12.6
330.12698	2.9
331.13342	22.2
333.14856	8.9
333.18539	3.4
335.12741	4.2
339.15964	4.4
341.11832	9.4
349.14273	18.8
357.18378	7.5
359.12531	13.8
363.19617	4.4
373.17987	12.7
375.19580	7.4
377.13919	11.4
381.20505	4.8
391.18933	29.0
393.20709	14.5
401.17526	5.5
409.20090	100.0
410.20615	6.2
411.21768	11.6
419.18582	10.4
427.21201	3.8
437.19675	23.1
455.20712	85.4
455.26566	5.3
455.35416	3.9
456.21399	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	455.2063
Annotation	Walsuranolide
Peak:m/z	Relative Intensity
53.03949	4.0
55.01863	9.4
55.05503	7.4
59.04995	4.5
67.05503	27.5
68.23182	3.4
68.36591	4.5
69.03426	8.3
69.07061	8.5
79.05483	10.8
81.03433	23.1
81.07034	11.1
83.04974	10.6
86.09357	3.6
91.05483	30.0
93.07037	17.8
95.01331	50.2
95.04970	61.3
95.08614	6.3
98.20747	9.8
105.07047	37.4
105.58703	4.3
107.04984	7.0
107.08575	9.9
109.06512	6.6
109.10131	7.9
111.04437	5.5
115.05434	5.7
117.07003	15.6
119.08545	25.2
121.02893	4.1
121.06483	15.0
121.10130	7.0
128.06174	8.4
129.06985	9.7
131.08572	9.7
133.06482	14.6
133.10144	11.1
135.08025	15.3
141.06978	5.9
142.07751	6.2
143.08598	18.7
145.06451	9.3
145.10091	15.9
147.08049	11.7
147.11641	6.7
149.05981	6.7
149.09590	9.0
153.06972	4.3
155.08537	13.7
156.09317	6.2
157.10109	14.8
159.08015	13.2
159.11682	6.1
161.05943	40.3
163.07532	10.5
165.07036	5.2
166.07777	5.3
167.08562	11.3
168.09329	5.1
169.06531	7.7
169.10168	19.2
171.08049	11.5
171.11697	10.9
173.09613	5.3
175.07532	13.3
179.08446	8.2
181.10091	12.0
182.07314	4.5
183.08031	8.7
183.11729	12.0
185.09612	9.7
187.07574	5.6
187.11194	7.6
189.05463	6.1
193.10080	9.2
195.08099	12.7
195.11722	15.0
197.05885	4.7
197.09564	11.0
197.13234	8.2
199.07492	4.3
199.11081	7.7
201.09111	4.9
201.12769	7.1
203.06927	6.0
205.04900	6.1
205.10196	4.6
205.12112	4.8
206.10869	4.8
207.11674	9.2
209.09592	15.8
211.11195	5.7
213.09137	7.6
213.12755	5.7
215.10445	5.0
219.11661	4.8
221.09592	9.5
221.13254	9.0
223.07733	4.6
223.11252	8.4
225.09187	8.8
225.12773	5.9
227.10649	8.4
229.12270	6.1
229.55762	5.5
231.11600	5.4
231.13675	5.2
232.08626	7.5
232.12482	5.6
233.09744	7.7
235.11244	9.5
235.14763	7.1
237.09087	4.8
237.12738	8.5
239.10750	9.0
247.11111	11.8
249.12669	9.2
251.10878	4.6
251.14264	6.8
255.10071	6.5
255.13971	4.4
260.12057	4.8
261.12653	6.6
263.14294	5.2
264.11206	4.2
265.12134	7.6
267.13751	5.7
273.12708	6.0
275.14206	5.1
277.12320	6.6
279.14102	6.4
279.17264	6.1
281.14920	5.0
287.14386	7.9
289.12317	6.0
289.15689	5.6
291.13791	4.4
293.11679	7.2
303.14047	4.6
303.17499	7.9
305.15292	4.6
307.16953	8.7
317.15231	5.4
321.14954	5.5
321.18420	5.0
331.13235	8.5
333.14703	12.2
333.18411	5.5
335.16318	10.4
345.18335	6.7
347.15894	4.5
349.18011	6.1
351.15878	5.1
353.17477	16.0
359.16299	5.7
361.14481	8.8
363.19510	6.6
373.17758	12.0
377.17349	16.2
379.15308	5.7
391.19052	18.1
393.20468	14.2
395.18680	19.8
397.16229	8.1
409.19962	14.9
411.21643	5.3
419.18274	14.5
437.19595	100.0
455.20694	61.0
455.35318	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	455.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.1
54.78327	1.8
55.01866	8.2
55.05514	12.9
56.05032	2.8
56.13389	1.8
57.03422	9.2
57.07071	2.1
59.04982	3.7
60.80772	2.2
61.02920	3.9
67.05502	17.5
68.99789	5.6
69.03431	50.9
69.07076	12.8
69.64720	11.2
70.06590	42.8
71.01341	2.3
71.04996	24.6
71.69814	2.0
71.88683	2.1
72.08152	6.5
73.02913	3.8
74.06141	1.9
76.14103	2.1
79.05492	18.5
81.03421	48.9
81.07059	27.2
82.06577	8.5
82.07366	2.0
83.01358	2.7
83.04978	13.8
83.06896	2.6
83.08611	3.8
84.04518	2.7
84.08144	9.0
85.02903	47.9
85.06572	4.8
85.07098	1.9
86.09693	10.6
87.00826	20.5
87.04460	2.1
91.05482	18.3
93.07047	19.7
94.15945	2.0
95.04966	12.7
95.08614	27.5
96.08134	3.2
97.02905	23.4
97.06526	6.8
98.21448	4.0
99.04471	16.8
103.05460	2.8
105.01880	11.2
105.03402	4.7
105.07027	34.4
107.04945	7.3
107.08589	31.4
107.10097	2.2
109.02882	39.0
109.06522	9.6
109.10164	7.1
110.03246	3.1
110.07192	4.0
111.04443	7.8
111.08118	3.3
112.07625	14.4
113.05989	8.0
115.03932	3.3
116.07111	2.4
117.01893	3.1
117.06998	5.4
119.04948	5.2
119.08585	25.1
120.08092	3.8
121.02843	4.9
121.06545	4.6
121.10147	16.7
123.04425	6.4
123.08086	6.4
124.07590	4.4
124.74122	2.1
125.09674	2.5
127.03918	70.7
128.04254	2.4
128.06232	2.7
128.07091	31.6
129.01834	2.0
129.07372	7.3
129.10219	2.9
131.07063	13.1
131.08575	8.0
133.06506	9.3
133.10120	11.9
135.04422	2.0
135.08028	6.7
135.11679	6.2
136.07570	5.1
137.05980	4.9
137.09622	5.7
140.07101	7.6
142.08621	2.9
143.08592	4.2
145.02840	2.6
145.04947	9.0
145.06068	2.0
145.07556	3.2
145.08592	32.6
145.10062	6.5
147.04396	6.5
147.08012	6.5
147.11684	72.3
147.12817	4.6
149.05977	2.3
149.09613	4.9
149.13261	3.7
151.03949	4.7
151.07542	6.5
151.11188	7.7
153.05605	3.0
156.09308	4.0
159.02878	6.1
159.11668	4.7
161.09613	4.1
161.13277	9.5
162.09096	4.3
163.11221	3.4
165.05513	2.1
165.09036	2.4
167.17534	2.0
170.08194	3.5
171.11638	5.6
173.08156	5.3
173.09521	2.3
173.13271	3.0
175.03951	6.0
175.07538	2.4
175.11226	2.7
177.05489	4.6
177.12798	6.6
189.09508	2.7
189.12769	28.1
191.09186	4.6
191.14320	17.9
193.01952	2.3
207.06522	8.0
207.13786	100.0
208.04286	4.4
208.06065	15.6
208.14134	6.2
213.03951	6.1
225.14880	3.2
231.05029	9.0
232.08128	7.2
233.11736	8.9
235.99326	2.2
244.52716	2.2
247.56511	2.2
249.14835	4.0
289.07526	2.1
293.14563	2.4
294.17014	2.7
411.16550	2.8
437.17725	6.2
455.15247	8.8
455.20502	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2928
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.50602	1.1
55.05506	5.0
57.03424	4.4
57.07079	21.5
59.29173	1.1
62.06089	28.5
67.05511	5.6
69.07057	4.5
69.92732	3.2
69.93134	3.2
71.08630	14.7
79.05487	1.8
81.07063	8.2
81.24953	1.1
83.08614	3.4
85.10170	8.5
91.05449	2.9
93.07034	4.7
95.08615	12.2
97.10156	1.8
98.98461	5.6
105.07029	4.8
106.27805	1.2
107.08606	3.4
108.08945	2.0
109.10152	6.4
119.08556	5.0
119.57497	1.2
120.08942	1.7
121.10129	3.0
123.11687	3.5
131.08574	2.7
133.10133	3.9
134.10461	1.4
135.11638	2.2
142.02670	1.9
143.08519	1.4
146.10400	1.4
147.11670	2.9
148.12074	1.5
155.01044	9.3
157.10150	1.7
159.11681	4.1
169.10051	1.3
173.13167	2.3
185.13246	1.7
187.14882	1.7
188.15178	1.4
198.05247	2.1
201.16339	1.7
216.06294	1.9
239.23637	3.6
282.27927	19.1
283.09283	1.3
313.27359	100.0
314.27716	6.4
320.24481	2.0
363.27054	1.4
364.27124	7.2
393.24088	6.3
436.27649	2.1
436.33203	6.6
454.28619	1.9
454.33957	15.4
455.34036	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	455.116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	3.0
69.38425	1.7
70.31635	4.5
75.83075	1.4
82.07304	1.5
89.93835	1.5
98.97581	5.9
112.89605	7.0
116.07076	3.0
116.98617	3.5
144.10233	7.6
146.99704	1.6
149.01260	1.7
154.30521	1.5
165.44884	1.7
182.05788	4.0
192.92401	1.6
200.05995	2.1
218.07039	2.0
242.07100	2.9
245.05067	3.3
260.08145	1.7
275.05948	2.1
293.05383	1.5
321.10245	2.8
328.82767	1.6
350.52911	1.7
455.11600	100.0
456.11981	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	454.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.01874	5.5
55.05507	10.5
57.03440	30.2
57.07071	6.6
60.04517	2.6
61.02925	4.0
61.73766	2.3
64.98596	2.3
67.05504	19.2
69.03432	17.0
69.07073	22.3
69.28822	22.5
69.43444	2.4
70.06591	21.9
71.04995	8.7
72.08159	7.2
73.06555	2.6
79.05477	4.8
81.03416	18.5
81.07050	15.6
82.06587	4.1
83.04993	9.0
83.08616	10.7
84.04499	3.3
84.08141	8.4
85.02912	36.4
85.06555	7.9
86.09703	8.3
87.00852	11.2
91.05483	11.1
93.07045	14.1
95.04980	8.1
95.08615	8.6
97.02913	14.1
97.06538	9.8
98.06055	5.8
99.04465	8.1
99.08072	5.0
105.01876	10.1
105.03394	8.2
105.07021	6.5
107.04984	3.4
107.08583	9.2
108.08080	2.7
109.02885	15.3
109.06506	6.3
109.10168	63.5
111.08097	8.2
112.07607	2.7
117.05496	2.4
119.04939	3.9
119.08570	3.4
120.08076	3.4
121.06516	5.2
123.04439	2.4
123.08070	3.0
123.11743	3.2
124.07651	2.6
125.09612	3.1
127.03927	23.6
127.11200	64.8
127.12144	3.1
128.06230	2.3
128.07076	8.4
128.11595	2.3
129.01799	2.5
129.10196	2.6
131.08627	2.4
133.10165	2.9
135.08047	3.3
135.11656	10.4
136.06210	2.7
137.58986	2.3
141.12727	3.3
145.04968	6.7
146.06013	5.5
147.02870	2.2
147.04404	4.9
147.08064	3.0
147.11603	3.2
149.09694	3.1
151.11154	5.9
152.05815	4.7
153.12761	26.5
155.14323	17.7
159.02928	2.9
162.05536	3.3
163.11174	2.3
165.09097	3.0
169.12315	4.3
171.13808	100.0
174.05536	4.6
175.04002	5.2
176.07086	2.8
189.12769	4.6
195.13832	10.0
207.06563	9.2
207.13916	3.4
213.14987	2.7
231.04976	5.0
244.06050	5.3
270.09729	3.9
292.11685	4.1
292.15433	3.0
339.14426	3.1
437.16663	2.5
454.19791	9.3
455.22327	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	454.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79592	2.4
55.05487	2.9
55.65765	2.3
59.91441	2.0
67.05499	8.0
69.07060	10.4
79.05500	3.1
81.07052	7.7
91.05435	2.5
93.07051	5.5
95.08611	12.9
96.08914	4.4
105.07049	7.1
105.70795	2.6
107.08573	5.9
109.10177	8.4
119.08566	7.5
121.10103	5.7
127.41179	2.2
133.10149	4.0
135.11734	5.4
145.10091	3.1
147.11752	3.2
173.13255	2.6
178.84950	2.6
189.16223	2.5
195.19981	2.4
199.14960	2.5
212.25725	2.3
215.14355	2.3
218.02107	27.0
229.28983	3.4
233.04425	100.0
250.18889	2.5
369.17160	3.6
436.33084	9.0
437.33966	2.8
454.33673	21.9
455.34894	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	454.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81044	2.3
53.03940	10.8
55.01878	6.8
55.05512	15.3
56.05820	3.2
57.03431	13.6
57.07079	3.2
61.02915	7.0
65.32051	2.4
67.05504	11.9
69.03429	27.7
69.07071	8.6
70.06592	27.3
71.04993	17.9
71.08624	16.4
71.53484	2.5
71.58199	2.3
72.08158	3.1
73.02900	7.0
79.05507	5.3
79.25182	2.4
81.03423	29.0
81.07056	10.7
83.04974	5.8
83.08615	15.8
84.04501	6.7
84.08150	8.3
85.02905	77.3
85.06551	6.7
86.09710	7.7
87.00831	24.4
91.05474	7.8
93.07031	7.9
95.04981	6.6
95.08611	7.1
97.02892	31.5
97.06548	4.3
98.06055	80.9
99.04453	12.2
99.08092	33.5
100.11262	45.8
101.11605	8.6
105.01863	34.8
105.03382	3.3
105.07028	5.4
107.04978	3.4
107.08568	4.8
108.04499	2.7
109.02890	32.9
109.06523	5.5
109.10157	39.3
110.07198	3.5
111.04420	7.1
117.01900	2.4
117.07012	2.9
117.13897	2.4
119.04977	2.8
119.08604	5.2
121.06497	4.4
123.08132	3.3
127.03923	58.8
127.11161	7.0
128.07043	3.9
129.07108	2.8
131.08551	3.8
133.02866	3.1
133.10083	3.4
135.04448	2.9
137.06010	3.0
139.08723	3.0
141.11572	2.8
144.06546	32.8
145.04953	25.8
145.12236	100.0
146.12541	3.0
147.04390	4.9
153.12762	5.2
159.02864	17.2
159.08095	3.0
159.11732	3.7
163.11272	3.2
171.13783	18.3
175.03876	5.3
180.99619	4.9
182.15436	15.4
183.15804	5.1
187.11165	3.6
189.03947	3.0
189.13213	4.6
189.14825	32.2
203.07086	3.1
204.07365	3.2
206.02785	3.3
207.06544	11.2
209.16519	6.8
210.14929	22.3
210.16780	3.5
211.15257	7.2
213.04044	3.9
231.05011	14.8
270.09692	47.1
274.15073	2.9
276.72623	3.1
288.10870	8.3
340.76312	3.4
343.30759	3.7
359.27292	2.7
390.31201	16.4
444.84164	10.7
445.34048	3.4
453.84509	6.4
454.17285	4.8
454.34448	4.2
455.18695	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	454.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
53.23450	0.2
55.01873	0.9
56.05051	0.3
56.26159	0.2
57.03438	0.8
60.21740	0.2
61.02930	0.7
62.06088	0.3
62.85080	0.2
67.05479	0.3
68.99809	0.3
69.03430	4.0
69.84653	0.4
69.85057	0.8
70.06583	1.3
71.01336	0.3
71.04990	0.8
72.08144	0.4
73.02911	0.9
73.46606	0.2
74.06098	0.4
79.05450	0.2
81.03419	4.8
84.00971	0.2
84.08135	0.9
85.02911	5.2
86.09717	0.4
87.00834	2.5
87.04467	0.3
91.03972	0.3
95.44452	0.2
97.02894	2.8
99.04453	1.6
105.01871	1.6
105.03407	0.3
109.02882	3.7
110.07191	0.3
117.01826	0.4
127.03926	5.4
129.01862	0.6
132.04446	6.2
136.07584	0.5
145.04984	1.3
147.02831	0.3
147.04369	0.2
159.02898	2.5
160.03967	0.4
162.09203	0.4
163.09433	0.3
177.05400	0.4
178.04997	61.1
179.05295	1.0
188.03705	0.3
194.39778	0.2
206.04486	100.0
207.04793	1.5
213.03932	0.3
213.12363	0.4
231.04919	1.1
256.19028	0.4
274.20078	0.5
292.08194	0.4
292.11691	0.5
368.09537	0.4
394.03192	0.2
446.32800	0.2
454.09787	2.3
454.22894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01851	0.3
55.05502	0.7
57.03441	2.1
57.07053	0.4
61.23544	0.2
65.21797	0.2
66.04683	0.2
67.05489	0.8
69.03408	0.8
69.07060	1.4
69.79234	1.0
69.79643	0.4
70.06596	2.8
71.04978	0.4
72.08141	0.5
73.06519	0.2
79.05486	0.5
81.03397	1.1
81.07044	1.3
83.04974	1.4
83.08604	0.7
84.08149	0.5
85.02897	1.7
85.06528	0.3
86.09700	0.6
93.07041	0.4
95.04964	0.6
95.08611	0.4
97.02871	1.3
98.06036	0.4
99.04451	0.4
99.08091	1.8
105.01863	0.5
105.03389	2.0
105.06998	0.6
106.06529	1.2
107.08562	0.4
109.02853	0.8
109.06504	0.3
109.10159	1.7
116.07056	0.7
118.04129	0.4
121.10132	0.4
124.07513	0.3
127.03886	1.0
127.11198	3.5
128.04984	0.6
128.07069	0.6
130.02823	0.3
136.06133	0.4
137.05914	0.3
142.12231	0.6
145.05092	0.5
146.06021	6.6
147.04353	0.2
153.12735	2.7
155.14285	0.7
158.99580	0.3
160.07547	0.6
169.12190	0.3
171.13817	3.3
174.05492	5.0
188.12846	2.6
191.05765	52.0
192.06114	1.7
206.08119	100.0
207.08420	2.9
247.09639	0.3
284.43854	0.3
292.19080	0.5
300.08701	2.1
305.56989	0.3
318.09573	0.3
402.96884	0.3
436.18024	1.3
448.94254	0.3
454.20355	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	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03942	2.2
55.05517	14.1
57.03428	4.3
57.07080	26.1
59.04992	5.6
62.06088	26.3
67.05502	18.7
68.94224	1.6
69.03439	3.1
69.07063	17.9
69.46433	14.4
71.04987	4.1
71.08636	13.1
73.06557	3.2
79.05492	15.8
81.07056	32.6
82.93880	1.8
83.04958	3.8
83.08629	10.5
85.10175	7.4
91.05477	18.5
93.07042	29.7
94.06290	1.5
95.04988	5.1
95.08605	49.5
97.06567	3.6
97.10170	4.7
98.98486	5.5
105.03394	4.3
105.07035	32.5
107.08593	47.3
109.06497	4.2
109.10152	30.3
111.11741	3.1
117.07011	11.9
119.08577	49.7
121.06512	3.2
121.10147	27.8
123.08067	5.9
123.11688	18.5
128.06201	2.7
129.07030	9.4
130.07805	1.8
131.08565	25.6
133.10143	36.0
135.08057	4.6
135.11702	19.4
137.13254	6.5
141.07062	4.5
142.07837	3.1
143.08560	18.9
144.09315	2.4
145.10129	31.8
147.11691	30.5
148.11957	2.2
149.09622	2.1
149.13251	10.8
155.01074	7.2
155.08540	9.5
156.09364	4.9
157.10117	20.3
158.11002	2.4
159.08076	4.4
159.11691	26.0
161.09625	4.0
161.13249	16.8
163.03923	2.3
163.11191	6.9
163.14848	6.2
167.08603	3.8
169.10115	12.6
170.11026	2.5
171.11667	18.0
172.12302	2.7
173.09613	4.3
173.13242	22.4
175.03975	2.4
175.11185	6.6
175.14832	18.2
176.15184	2.1
177.12761	4.0
177.16422	3.9
179.08530	3.2
180.09239	2.6
181.10118	11.2
183.11707	15.3
184.12419	1.8
185.13237	17.7
187.11151	3.8
187.14803	22.7
189.12715	3.3
189.16425	12.8
191.14359	2.9
193.10173	1.9
194.10829	2.4
195.11620	9.4
197.13248	15.1
199.14847	17.0
201.12759	4.0
201.16417	21.6
203.14250	2.4
203.17992	4.1
205.15926	5.3
206.10847	2.4
207.11719	5.3
209.13295	7.0
211.14769	8.6
213.12788	3.6
213.16440	7.6
215.14331	6.8
215.17854	4.4
217.15953	2.6
223.14879	9.0
225.12701	3.9
225.16428	5.2
227.14380	7.6
227.17992	8.0
229.15874	4.8
229.19528	4.1
231.17390	2.5
233.13194	2.1
233.15396	3.8
235.14851	2.8
237.16405	7.2
239.14343	3.8
239.18050	6.0
239.23750	2.8
241.15842	3.3
241.19373	4.3
243.17464	2.4
247.17046	2.4
249.16495	3.8
253.15919	4.1
253.19386	2.6
255.17482	5.7
265.19482	2.8
267.17447	4.0
277.19620	2.0
279.21014	2.4
281.19196	3.1
281.22717	4.0
282.27896	16.4
293.19281	2.1
293.22614	4.3
295.24158	8.3
299.20056	4.2
307.20514	2.0
313.27368	100.0
317.21277	3.4
319.24170	17.3
321.22263	2.1
321.25543	4.2
325.21790	2.9
333.25708	5.4
335.27304	4.0
337.25150	8.7
345.25742	4.2
349.25665	1.9
351.26935	3.3
353.28580	4.3
357.24359	8.0
363.26794	56.2
364.27274	5.8
369.24252	4.1
381.27838	10.1
393.23950	6.1
395.29675	2.7
407.33130	2.2
417.31622	8.6
435.32642	36.0
436.33072	2.9
453.33667	97.6
454.34570	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	453.3362
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03942	3.8
55.05506	12.9
56.05799	2.2
57.07065	6.1
59.04984	7.1
67.05509	19.3
69.03406	2.5
69.07066	18.5
70.02896	7.8
71.04958	3.6
73.06552	3.5
74.14051	2.2
79.05496	14.2
81.07053	31.5
83.04996	3.1
83.08608	6.3
85.06499	2.3
91.05489	23.9
92.45730	1.9
93.07035	26.8
95.04964	8.2
95.08598	47.2
97.06540	2.2
97.10147	3.0
99.04388	2.5
100.00793	2.2
105.03394	45.8
105.06324	2.8
105.07023	39.8
107.08590	39.6
109.06474	2.7
109.10162	31.6
111.08073	3.2
111.11702	2.4
115.05431	4.0
117.07011	9.6
119.08574	49.3
120.08959	2.1
121.06499	2.4
121.10142	27.4
123.08053	5.2
123.11686	23.7
128.06232	2.6
129.07010	11.3
131.08565	30.1
133.10112	40.9
135.08029	5.5
135.11678	21.2
137.09575	2.2
137.13229	5.7
141.06934	3.0
143.08553	16.2
145.10114	35.9
147.04369	2.1
147.11681	32.2
149.09515	2.6
149.13242	8.5
155.08554	9.1
156.09349	3.2
157.10135	20.1
158.10849	2.9
158.88017	1.9
159.04376	2.3
159.11662	26.7
161.09619	5.9
161.13249	12.6
163.11159	6.0
163.14796	4.4
165.06963	2.8
165.12776	2.9
167.08598	2.6
169.10094	12.9
171.11642	21.8
173.09637	4.8
173.13219	23.0
175.03914	18.8
175.11226	3.9
175.14812	13.7
177.16385	4.7
181.10114	11.9
182.10953	2.5
183.11681	16.5
184.12465	2.8
185.13287	10.9
187.03952	11.3
187.11148	3.7
187.14842	20.4
189.09093	6.7
189.12714	3.7
189.16376	17.0
191.14316	2.6
195.11649	8.7
197.13239	14.2
199.03905	2.4
199.14850	13.9
201.12772	4.2
201.16399	19.4
203.08604	2.1
203.14404	3.1
203.17966	4.3
205.12106	2.4
207.11665	7.2
208.12445	3.6
209.13188	10.9
211.14880	9.9
213.16333	4.8
215.14339	6.9
215.17911	5.5
217.15819	3.4
217.19391	2.7
219.13918	2.7
221.13257	3.8
223.14841	8.2
225.12810	5.1
225.16362	7.5
226.06300	3.9
227.14325	8.0
227.17896	6.6
229.08556	7.3
229.15886	6.1
233.13324	3.2
233.15416	4.2
235.14838	4.4
237.16356	6.7
239.17989	6.0
241.08659	9.7
243.10222	5.9
243.17542	3.3
245.15524	2.2
247.17061	2.7
249.16467	3.8
253.08498	2.1
253.15860	4.6
255.17442	3.8
263.18149	3.6
265.19635	2.6
267.17465	3.8
267.21219	2.0
269.22617	2.5
277.19556	3.4
279.17886	2.3
279.21027	4.9
284.86581	2.1
289.19678	2.8
293.19019	2.5
293.22452	3.1
295.13159	3.7
295.24277	5.8
297.18497	3.1
299.20056	3.0
305.22733	2.2
307.20456	2.4
313.14496	7.5
317.20801	2.5
319.24191	17.1
321.25671	6.2
333.25589	5.1
335.27322	4.3
337.25290	14.0
339.23114	3.3
345.25754	4.9
351.26999	4.5
353.28540	3.3
357.24295	8.9
363.26782	54.7
364.19327	2.2
369.24112	3.4
381.27805	8.2
395.29327	3.3
417.31415	12.6
435.32578	42.0
436.32727	3.5
442.52771	2.5
453.33630	100.0
454.33978	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	453.3361
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05507	10.0
57.07065	2.3
59.04990	5.4
65.03939	1.7
67.05507	15.4
68.76651	1.6
69.03435	2.8
69.07072	17.5
69.74707	7.6
71.04979	4.6
79.05496	14.2
81.03428	2.1
81.07052	27.7
83.04956	3.8
83.08609	4.7
85.06535	1.7
91.05474	17.1
93.07034	26.3
95.01323	5.1
95.04939	2.8
95.08604	46.0
97.06538	3.5
100.11209	2.1
105.07024	34.1
107.08587	39.8
109.06493	2.5
109.10146	29.9
111.08079	2.8
111.11721	2.2
117.07005	7.2
119.08572	41.8
121.06476	2.9
121.10134	30.1
123.08044	3.9
123.11699	17.9
125.09612	2.3
128.06235	3.3
129.06989	5.0
130.07814	2.0
131.08559	21.3
133.06532	1.8
133.09128	2.7
133.10120	35.9
135.08040	2.9
135.11697	18.3
137.13252	7.2
141.06985	2.0
142.07780	2.6
143.08531	13.6
144.09351	2.1
145.06506	1.6
145.10112	31.6
147.08061	2.2
147.11679	25.6
149.09584	2.6
149.13260	8.1
151.11197	1.5
155.08559	6.9
156.09303	3.3
157.10124	19.2
159.08121	2.6
159.11679	28.8
161.09610	4.2
161.13216	15.5
161.70285	1.6
163.11171	5.0
163.14845	4.6
167.08562	4.0
169.10143	9.4
170.10867	2.0
171.11665	14.3
172.12425	1.9
173.09625	3.7
173.13266	18.2
175.11186	5.5
175.14799	16.0
177.16371	4.3
181.10107	5.9
183.11699	12.8
185.13231	16.8
187.11198	3.6
187.14792	22.5
189.12746	5.0
189.16389	14.2
191.14134	1.7
193.10310	2.1
195.11719	5.2
197.13258	11.9
198.13979	2.1
199.11272	2.6
199.14836	15.0
201.12695	3.9
201.16402	20.3
203.14380	4.1
203.17958	3.0
205.15948	3.7
207.11723	2.0
209.13239	6.2
211.14799	10.0
212.15265	1.7
213.16405	5.2
215.14378	2.8
215.17934	5.4
217.15825	4.4
219.11652	1.8
221.13065	2.4
223.14867	5.9
225.16374	6.7
227.14343	5.4
227.17937	5.2
229.19513	5.7
231.02850	3.3
231.17473	3.2
233.04453	6.2
235.14798	3.1
237.16403	5.0
239.17958	3.9
241.15977	3.6
241.19434	2.3
243.17421	2.7
245.15366	2.6
251.17908	3.1
253.19489	3.0
255.21138	2.8
265.19424	1.9
275.18427	1.9
277.10941	1.7
293.19235	2.2
293.22592	2.7
295.24088	11.6
299.20087	2.5
299.23926	1.6
307.20773	2.6
311.23563	1.8
319.24152	6.8
321.22382	2.0
321.25803	6.0
333.25723	3.6
335.27475	4.3
337.20535	2.0
337.25308	4.6
345.25580	2.6
351.26761	2.9
353.28363	2.9
357.24161	3.0
363.26801	31.7
364.27371	2.6
377.28458	2.4
381.27921	6.2
383.93677	2.0
389.32019	1.9
395.29337	4.0
407.33041	5.2
417.31577	7.2
435.32516	27.2
436.32733	2.2
453.33640	100.0
454.33914	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	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.40737	1.8
55.05514	9.7
57.07079	3.2
57.61839	1.9
59.05000	4.3
65.03955	2.0
67.05505	16.1
69.07062	15.6
69.94476	7.4
71.04994	2.8
73.06548	2.4
74.31527	1.6
79.05501	14.5
81.07057	27.8
83.04996	3.8
83.08618	5.7
85.06541	4.5
91.05473	23.4
93.07049	30.3
95.04961	2.8
95.08610	43.0
105.07032	39.8
107.07862	3.3
107.08598	42.6
109.06513	4.7
109.10154	29.8
111.08061	3.0
117.07010	8.9
119.04996	2.3
119.08585	41.0
120.08826	2.0
121.06551	2.4
121.10142	25.1
123.08086	5.3
123.11703	16.4
128.06238	2.8
129.07013	7.0
130.07764	2.5
131.08569	20.7
133.10130	37.2
134.10455	2.2
135.08098	4.6
135.11702	26.2
137.09610	2.9
137.13242	6.1
141.06964	2.7
143.08557	13.1
145.10126	27.5
146.10400	2.1
147.04420	4.1
147.11682	28.1
149.09608	2.6
149.13239	8.8
155.08536	5.9
157.10135	21.1
159.08032	3.2
159.11678	28.3
161.06000	2.8
161.09555	3.9
161.13252	15.6
163.03877	2.8
163.11186	4.3
163.14818	6.4
165.88826	2.1
169.10194	10.5
170.10886	2.7
171.11716	16.3
173.09677	4.0
173.13290	19.0
175.03897	3.4
175.11168	5.3
175.14821	13.7
177.12709	2.1
177.16391	4.7
179.08626	2.0
181.10152	8.9
183.11722	12.8
185.13220	13.8
187.14844	19.6
189.12764	4.3
189.16341	12.4
193.04884	3.6
195.11725	7.6
197.13185	11.3
199.14822	14.3
201.16374	22.6
203.14424	3.2
203.17990	6.7
207.11768	3.3
208.22549	1.9
209.13322	4.1
211.14796	6.8
213.16388	5.0
215.14388	6.3
215.17938	4.6
217.15921	3.3
221.13327	4.6
223.14833	3.7
225.16397	5.9
225.38686	2.0
227.14310	6.5
227.17892	5.2
229.15855	3.2
229.19421	3.2
231.02849	6.2
233.04457	9.1
233.15433	3.2
235.05916	2.6
235.14792	3.3
237.16431	3.2
239.17990	3.1
241.15926	2.8
241.19641	2.6
243.17558	2.5
245.15559	1.9
249.16367	3.9
251.17967	4.2
255.17404	3.3
265.19592	2.9
271.20520	2.5
277.10733	6.8
279.21075	3.5
281.18964	2.5
293.22568	2.3
295.24277	9.6
299.20123	2.4
305.22641	2.7
317.10056	3.1
319.24161	11.3
321.25790	5.3
333.25946	5.4
335.27408	4.2
337.25165	7.1
345.25699	3.5
353.28391	4.4
357.24106	4.5
363.26794	40.0
367.14917	2.1
369.16959	4.9
369.24182	2.4
381.27939	6.5
407.33139	3.3
417.31693	9.5
435.21335	2.4
435.32532	33.0
453.23074	4.7
453.33643	100.0
454.33969	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	453.3362
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05507	12.8
57.07053	3.9
59.04987	2.7
60.56626	2.1
67.05500	17.9
69.03410	3.8
69.07065	16.2
70.06951	9.9
71.04977	2.9
78.94150	2.0
79.05493	16.6
79.55480	2.0
81.07055	33.1
83.05005	4.4
83.08607	6.6
84.42321	2.2
91.05480	23.9
93.07035	29.3
95.04958	9.7
95.08607	48.9
97.06580	2.3
97.10162	3.7
99.08126	2.2
100.11209	3.6
105.03395	24.0
105.07035	39.8
107.08590	35.8
109.06504	5.0
109.10150	30.2
115.05491	2.4
117.07014	10.9
119.08579	53.3
121.06460	3.2
121.10154	35.5
123.08074	5.2
123.11696	24.0
128.06181	3.9
129.07005	10.2
130.07771	3.4
131.08585	25.4
133.10126	40.8
135.08029	4.0
135.11688	20.1
137.13266	5.2
141.07007	4.4
142.07767	3.7
143.08553	15.1
144.09354	3.0
145.10120	38.0
146.10481	2.5
147.08063	3.0
147.11691	31.2
149.09634	4.8
149.13264	11.5
153.06958	2.5
153.55914	2.3
155.08565	10.0
157.10139	20.8
158.10799	2.1
159.08080	4.2
159.11702	28.6
161.09604	6.2
161.13264	17.8
161.91336	2.3
163.11171	4.4
163.14789	6.1
169.10109	11.9
171.11716	13.7
173.09634	3.0
173.13225	22.5
175.03917	8.0
175.11096	3.8
175.14818	18.6
177.16339	5.5
181.10136	8.1
182.10873	3.0
183.11687	14.4
185.13246	18.8
187.03917	4.1
187.14803	21.1
189.12740	4.7
189.16359	15.9
191.14340	2.5
193.10220	2.9
195.11789	6.1
197.13229	13.9
199.14848	13.9
201.12813	3.8
201.16350	17.2
203.14330	5.7
203.18008	6.1
207.11690	4.6
209.13307	7.8
211.14799	9.0
213.16347	10.8
215.14320	8.4
215.17969	2.4
217.15872	5.4
221.13216	4.2
223.14813	6.0
225.12717	5.3
225.16415	7.2
227.14308	5.8
227.17958	8.2
231.17506	3.9
233.15433	4.2
237.16423	4.8
239.18008	8.2
241.08755	2.5
241.19569	3.2
249.16304	2.8
251.17969	2.8
253.15939	4.6
265.19516	3.1
277.19504	3.4
281.19006	2.7
281.22583	4.1
295.24237	9.4
305.23404	2.5
313.14380	4.3
319.24118	15.7
321.26010	3.6
333.25586	5.1
335.27478	3.3
337.25299	5.3
345.25772	3.6
351.26678	2.4
353.28494	3.3
357.24213	3.4
363.26779	43.7
364.26947	4.0
377.28632	3.1
395.29617	2.9
407.33057	2.6
417.31580	8.7
435.32623	31.6
436.33032	4.9
453.33658	100.0
454.34210	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	453.336
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03927	2.5
55.01830	2.3
55.05510	16.6
57.03441	2.2
57.07058	5.7
59.04996	10.5
60.85312	2.1
67.05500	22.8
69.03444	4.5
69.07063	18.0
69.74680	4.8
69.75092	8.1
71.04973	3.6
73.06551	4.3
79.05481	22.2
81.06599	2.5
81.07056	44.0
83.04947	5.9
83.08607	6.0
85.06546	3.4
89.48008	2.0
91.05479	30.9
93.07045	40.5
95.04952	5.5
95.08608	63.5
96.05210	2.3
97.06508	2.7
97.10151	2.7
98.16544	1.9
99.08052	2.4
102.74414	2.0
105.07029	56.6
106.07323	3.2
107.08588	56.4
109.06506	8.0
109.10149	46.2
111.08086	4.9
111.11758	2.6
112.01638	2.0
115.05511	2.3
117.07012	15.0
119.08582	68.2
121.09321	3.6
121.10139	42.8
123.08084	6.5
123.11694	22.4
128.06258	3.4
129.06985	13.4
131.08559	34.1
133.10117	55.0
135.08040	6.2
135.11685	22.0
137.09628	3.0
137.13255	5.9
137.66769	2.4
141.06982	3.2
142.07718	3.3
143.08546	21.8
144.09294	3.4
145.10121	46.6
146.10547	2.1
147.11688	39.1
149.09596	4.3
149.13263	11.2
155.08539	11.3
156.09409	4.2
157.10110	22.5
158.10851	2.9
159.08073	3.4
159.11684	43.4
161.09598	9.1
161.13258	21.4
163.11186	4.8
163.14804	5.9
165.06950	2.5
165.12772	2.3
167.08588	4.3
169.10100	14.6
170.10831	2.4
171.11681	23.9
172.12387	2.6
173.09592	3.2
173.13261	30.9
175.11194	6.5
175.14815	23.3
177.12762	3.1
177.16411	4.9
180.09331	2.7
181.10118	11.3
183.11664	18.8
184.12459	3.5
185.09630	3.2
185.13234	23.3
187.11197	2.5
187.14818	27.1
189.12717	3.6
189.16364	23.2
191.17924	3.2
193.10086	3.2
195.11703	10.7
197.13313	14.1
198.14197	2.4
199.11069	2.3
199.14862	21.6
201.12741	4.1
201.16357	20.8
203.14384	4.9
203.17924	6.6
207.11739	4.8
208.12071	2.2
209.13229	8.7
210.13858	2.3
211.14812	12.0
213.12793	2.6
213.16406	9.0
215.14301	7.2
215.17990	6.8
217.15840	4.7
221.13190	3.5
223.14867	7.0
225.12762	3.7
225.16377	8.5
227.14336	6.3
227.17905	5.2
229.15785	5.4
229.19455	3.7
233.13304	3.0
235.14842	3.4
237.16330	5.1
239.17897	4.6
241.15985	3.6
241.19505	2.4
243.17625	2.2
249.16418	4.5
251.17986	2.5
253.15881	4.5
253.19524	4.5
255.20900	2.4
265.19516	4.3
267.21014	3.1
269.18909	2.5
279.17316	2.5
279.21173	2.8
281.18893	3.1
291.21008	2.4
293.22687	2.8
295.24222	10.7
299.19888	2.9
307.23981	2.4
319.24222	12.7
321.25851	5.2
333.25900	3.3
335.27295	3.5
337.25204	7.1
342.32535	2.2
345.25226	2.7
347.67831	2.4
353.28601	3.3
357.24207	4.2
363.26810	37.6
363.30981	3.7
364.27158	3.3
369.24133	2.9
377.28439	3.5
381.27823	6.9
395.29480	2.3
407.32977	4.4
417.31512	7.0
435.32590	30.5
436.33029	3.6
453.33600	100.0
454.34033	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22281	2.2
53.03932	5.5
55.05506	9.2
65.03938	2.3
67.01847	2.7
67.05500	16.9
67.36823	2.2
69.03414	4.4
69.07052	4.9
69.39760	3.3
69.40165	14.0
79.05486	13.2
81.03416	8.4
81.07053	12.4
83.08578	2.9
91.05474	29.1
93.07042	15.2
93.24701	2.6
94.78846	2.1
95.01330	100.0
95.04967	28.1
95.08627	12.5
97.16648	2.8
97.53921	2.3
103.05476	6.7
105.07027	46.2
107.04933	3.9
107.08573	10.2
109.02790	2.3
109.10136	3.3
115.05463	7.0
115.10292	2.0
117.07018	15.0
119.04929	2.9
119.08576	49.4
121.02850	3.8
121.06503	10.3
121.10153	7.4
121.90038	2.6
122.56232	2.3
127.37788	2.0
128.06229	10.1
129.07004	11.8
130.07784	3.4
131.04919	4.8
131.08575	29.4
133.06485	9.2
133.10124	9.0
141.06935	5.8
141.55821	2.2
142.07767	9.1
142.14491	2.7
142.94385	2.3
143.08556	26.8
145.02875	7.8
145.06482	13.2
145.10124	43.3
147.08055	6.3
147.11679	8.0
149.06007	4.9
153.06976	5.0
154.07841	2.7
155.08575	12.3
156.09340	6.0
157.06491	4.3
157.10086	18.2
159.04440	6.2
159.08061	5.4
159.11705	16.6
161.05978	18.0
161.13246	3.9
163.03987	2.7
165.07039	5.2
166.07780	4.7
167.08594	5.8
168.09341	5.2
169.10104	11.8
170.10898	8.2
171.07944	2.8
171.11661	7.6
172.12375	2.3
173.09488	2.7
173.13266	7.4
175.07520	5.5
175.14923	3.2
177.05453	2.9
178.07813	2.7
178.43353	2.2
179.08521	5.6
180.09319	4.7
181.10176	14.4
183.08060	2.4
183.11678	9.9
185.13239	20.9
187.03970	3.1
187.07570	2.8
187.14806	39.5
189.05486	4.1
191.03462	4.0
191.08589	3.3
193.04945	3.5
193.10158	7.9
194.10858	3.1
195.11723	9.2
197.13190	3.3
199.14844	7.2
201.05495	8.6
201.16347	4.4
205.04915	16.6
205.10197	4.3
206.10846	3.1
207.11652	4.2
209.13239	8.1
211.11316	3.4
211.14861	3.8
219.06493	5.7
219.11714	4.5
221.13264	5.4
223.14804	10.5
224.15700	3.3
225.16394	3.7
231.11761	4.3
237.16251	5.4
251.14328	4.2
251.17949	4.1
259.11084	4.1
261.16544	2.6
263.10641	2.6
267.89627	2.4
273.12653	2.8
277.12238	3.3
293.11728	4.0
305.11673	3.2
305.15259	3.0
318.19696	2.8
319.13641	3.1
333.14914	11.0
347.19928	5.1
349.21851	3.2
375.19571	11.9
393.20636	9.4
453.22476	9.9
453.33530	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	453.2117
Annotation	Absinthifolide
Peak:m/z	Relative Intensity
51.02376	0.7
52.61531	0.4
53.03934	0.8
53.22598	0.5
55.01868	0.9
55.05496	1.7
55.16666	0.4
65.03954	0.5
67.05515	2.8
69.03086	0.5
69.03427	6.0
69.07063	2.5
69.27532	4.8
70.06571	1.1
71.04978	1.9
73.90674	0.4
77.03932	4.3
79.05507	2.3
81.03421	5.3
81.07054	5.4
83.04961	1.1
83.08585	1.1
84.08126	0.5
85.02901	2.4
85.06546	1.0
86.09708	1.0
91.05488	3.5
93.07028	2.5
95.04955	1.5
95.08597	3.5
97.02882	1.6
97.06514	2.0
98.06023	0.8
99.04447	1.1
99.08052	0.7
99.14693	0.5
100.11252	2.0
103.05405	0.5
105.03397	3.2
105.07033	2.6
107.04953	5.2
107.08604	3.7
109.02880	1.9
109.06490	1.1
109.10178	2.8
111.04433	0.7
111.08076	1.1
115.05370	0.5
115.69293	0.5
117.07036	1.0
119.08584	1.6
121.02834	0.7
121.06496	1.3
121.10145	3.9
123.08068	0.6
123.11703	1.0
125.09601	1.2
127.03921	1.1
128.06190	0.6
129.06990	0.7
131.04965	0.8
131.08554	3.8
133.02853	35.8
133.06502	2.4
133.10118	2.2
134.03191	0.5
135.04410	15.7
135.08015	0.6
136.04762	0.7
137.05992	0.6
137.09619	0.6
139.11147	1.9
139.66235	0.5
141.06970	0.6
142.07719	0.5
143.08571	0.9
144.05693	1.2
145.06483	1.9
145.10088	1.0
147.04420	5.1
147.08049	2.3
147.11694	0.8
149.05984	2.6
149.07011	0.5
149.09608	1.4
151.03906	12.5
157.06552	0.8
157.10039	0.6
158.07263	0.5
159.04401	0.7
159.08046	5.8
159.11627	0.7
161.05925	2.2
161.09630	6.8
165.05489	0.5
171.08063	2.3
171.11703	0.7
173.05991	1.0
173.09554	1.9
175.07538	4.3
177.09097	11.6
178.09245	0.5
182.15427	0.8
184.07344	0.7
185.09593	4.3
187.07526	4.9
187.11177	0.8
189.09090	1.5
199.07530	1.7
201.09123	1.1
203.10675	11.9
213.09082	1.1
213.12823	1.4
215.10622	0.8
224.75116	0.5
226.19299	0.5
227.14227	2.6
245.15417	0.9
255.13780	7.2
273.14844	100.0
274.15240	4.2
291.15897	33.4
292.16193	1.4
306.97092	0.5
361.98431	0.6
417.19086	3.4
435.20126	2.0
453.33984	0.8
453.84274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.0
53.03748	0.3
53.03947	4.3
54.67458	0.3
55.05503	2.2
57.07064	0.6
59.04985	0.4
65.03934	0.9
67.05505	4.2
68.32168	0.4
69.07069	4.3
69.50320	2.8
71.04984	0.8
77.03928	1.0
79.05507	2.7
81.03422	0.5
81.07050	1.1
83.01334	0.5
83.08604	0.4
85.06555	1.8
91.05483	2.5
93.07046	1.0
95.04964	6.9
95.08595	1.4
98.20810	0.5
103.05525	0.6
105.03392	100.0
105.07022	1.1
106.03746	1.0
107.04945	0.4
107.08578	0.7
109.10146	1.7
111.11709	0.6
115.05466	1.0
117.07041	0.5
119.04930	1.0
119.08553	0.5
121.02850	0.9
121.10165	2.0
123.04420	2.9
129.06995	0.9
131.04951	3.9
131.08566	0.9
133.10170	0.8
142.07770	0.9
143.04944	0.7
143.08542	0.6
145.06525	0.4
147.04399	3.6
151.11182	0.5
155.04768	0.4
155.08618	0.4
157.06459	0.4
157.10086	0.6
159.04411	3.6
163.03873	2.4
169.06557	0.4
171.04448	1.5
171.07982	0.6
173.06017	1.1
175.03911	36.5
176.04382	0.3
177.05513	0.7
181.10046	0.4
183.08112	0.6
185.05994	0.6
185.09619	0.9
187.03909	22.0
187.07521	1.4
189.05487	2.2
189.09111	11.8
195.08047	1.0
197.05910	0.4
198.06796	1.1
199.03902	5.2
199.07565	1.3
201.05481	2.3
201.09142	0.7
203.03407	4.0
203.07008	2.1
207.10152	3.6
211.07550	0.8
213.05528	2.6
213.09200	1.2
215.07037	0.9
217.05064	0.8
217.08604	2.5
223.07594	1.3
225.09103	0.5
226.06233	9.9
227.07037	1.0
228.07790	2.6
229.08606	14.7
231.10155	0.8
239.07019	0.7
241.08591	27.5
241.56314	0.4
242.08995	0.6
243.06543	0.4
243.10172	10.3
245.08142	1.2
247.09647	5.2
253.08604	2.5
255.10170	3.3
259.09607	0.7
269.11755	0.6
271.09741	1.0
295.13284	8.2
295.16641	0.5
313.14340	15.0
313.17996	0.8
435.18219	0.5
453.14432	0.5
453.33908	0.7
458.54736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
57.32463	4.9
61.98471	5.4
69.82395	9.1
69.82805	25.6
92.25127	5.7
95.04980	7.8
105.03400	100.0
132.32701	5.6
142.17372	5.4
175.03906	26.5
176.99341	5.3
187.03922	18.1
225.23645	6.0
226.06413	6.5
229.08720	6.4
241.08589	13.6
243.10231	6.7
318.04156	6.0
371.89160	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	453.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
53.23015	1.3
54.67533	1.5
55.01855	1.9
55.05520	7.1
57.07060	3.0
59.04987	2.4
65.03910	1.5
65.27298	1.5
67.05507	10.0
69.07066	9.0
70.98064	1.8
70.98402	3.4
71.05003	2.3
73.06546	1.4
77.03923	1.5
79.05493	8.6
81.07045	15.4
83.08607	2.9
85.06529	3.1
91.05460	10.8
93.07044	10.9
94.56654	1.6
95.04969	10.4
95.08609	18.4
100.11267	2.8
105.03395	100.0
105.07021	10.8
107.08586	14.7
107.17108	1.4
109.06513	5.2
109.10152	10.5
111.08125	1.6
111.11666	1.4
117.07037	3.1
119.04945	1.9
119.08578	14.2
121.10151	14.7
123.04403	3.3
123.08048	2.7
123.11717	6.7
125.09564	1.9
128.06230	2.1
129.07004	3.5
131.04926	6.3
131.08539	6.8
133.10101	10.7
135.08055	2.8
135.11674	8.9
135.76308	1.4
137.13260	2.5
143.08601	3.5
145.10103	13.5
147.04404	5.4
147.08133	1.6
147.11667	8.3
149.13252	3.1
155.08546	3.3
157.10120	8.2
159.04413	5.5
159.11708	10.6
161.09602	2.8
161.13272	6.4
163.03896	4.3
167.08545	1.6
169.10117	4.2
171.04451	1.7
171.11676	5.5
173.09604	1.5
173.13260	8.3
175.03911	48.6
175.11250	2.0
175.14833	5.6
181.10097	2.4
183.11661	3.5
185.05977	1.9
185.09631	3.4
185.13255	5.4
187.03880	22.3
187.07509	2.9
187.14856	5.9
189.05452	2.1
189.09079	15.9
189.12782	1.7
189.16425	5.5
195.08119	1.8
195.11644	2.2
197.09653	1.5
197.13254	5.0
198.06833	3.4
199.03925	6.2
199.14821	4.2
201.05382	3.7
201.12729	1.8
201.16354	4.3
203.03401	4.9
203.07071	1.9
203.17932	2.6
207.10156	4.3
209.13370	2.3
211.14766	2.9
213.05396	3.8
213.09235	1.6
213.16365	1.7
215.17961	2.5
217.08534	2.5
217.15834	2.1
221.00485	1.7
223.07576	2.2
226.06285	12.0
226.18996	1.7
227.06943	1.9
227.14375	2.4
227.17970	2.0
227.60393	1.7
228.07877	4.5
229.08589	13.7
231.17250	2.0
234.56660	1.5
235.14729	2.1
241.08597	35.7
243.10211	15.2
247.09578	8.1
253.08630	2.3
255.10126	4.5
293.22522	1.5
295.13284	16.2
295.24319	4.4
313.14352	24.3
337.25299	2.1
353.28098	2.1
363.26770	6.2
381.27957	2.4
417.31464	3.3
435.32703	14.9
453.28122	2.7
453.33777	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.05505	2.6
67.05501	4.8
69.07067	4.5
69.95319	7.1
69.99864	1.3
79.05502	3.2
91.05483	2.3
94.23881	1.3
95.04981	5.6
102.55534	1.4
105.03395	100.0
109.10142	2.1
119.04974	1.8
121.10147	3.4
131.04950	4.2
133.67815	1.4
147.04391	4.5
153.94069	1.4
154.30585	1.5
154.51913	1.5
159.04414	5.6
163.03877	2.5
175.03906	51.2
187.03912	33.5
189.05501	2.9
189.09146	13.0
195.77966	1.5
198.06886	2.2
198.88518	1.6
199.03862	9.0
199.07597	1.5
201.05409	2.4
203.03374	2.4
207.10120	3.1
213.05588	3.5
226.06279	13.0
227.06992	2.1
228.07864	3.9
229.08606	15.3
241.08571	35.1
243.10178	14.7
247.09720	4.8
249.45226	1.6
253.08540	3.5
255.10184	5.4
275.77673	1.7
295.13272	11.3
313.14334	20.7
407.20691	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.0
54.11179	6.4
55.05508	16.5
67.05500	21.9
68.19426	5.7
69.07047	12.4
71.04610	5.2
71.53718	10.7
79.05487	9.5
80.54224	5.0
81.07047	19.1
83.08624	5.5
84.04693	5.3
85.06529	8.6
91.05491	23.0
93.07059	17.5
95.01331	7.1
95.04962	12.1
95.08617	14.4
95.76094	5.2
103.92807	5.5
105.03396	79.3
105.07027	19.2
107.08598	16.4
109.06503	7.6
109.10147	15.8
119.05000	5.9
119.08592	19.6
121.10166	20.1
131.04907	9.0
131.08548	8.2
133.10135	14.4
135.08076	7.2
135.11671	8.5
147.04436	15.0
147.11688	7.7
157.10173	11.0
159.04414	7.3
159.11711	9.9
159.61185	4.8
161.13281	6.6
163.03952	9.1
169.09964	6.2
170.98570	5.1
171.11742	7.3
173.05959	5.9
175.03915	100.0
185.13229	5.4
187.03946	41.2
187.14883	9.7
189.09032	8.9
189.16386	5.9
194.11188	5.2
199.03925	6.5
201.05467	6.8
205.04984	6.3
213.05373	5.7
226.06270	18.6
228.07903	7.3
229.08513	33.1
231.10193	6.1
241.08582	42.0
243.10135	26.8
247.09691	44.3
295.13290	12.7
313.14493	29.6
331.15323	8.9
371.58197	6.8
435.32443	7.8
453.18591	12.4
453.33920	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.5
55.05497	0.2
64.32664	0.2
65.03941	3.9
67.05499	0.3
68.99791	0.3
69.07066	2.1
70.06567	1.5
71.01340	0.2
71.53762	0.3
74.76097	0.2
79.05478	0.5
81.07050	0.7
86.02427	12.8
89.06039	1.5
91.05475	0.9
93.07038	0.6
95.04981	0.6
95.08597	0.9
104.03465	10.5
105.07027	0.7
107.04953	18.4
107.08573	0.9
109.10168	0.7
111.04440	2.7
112.07590	0.5
117.07037	0.2
119.08583	0.7
121.02863	100.0
121.10134	0.5
122.03168	1.2
122.09665	0.3
131.08578	0.6
131.24207	0.2
133.08571	0.6
135.11728	0.3
136.07565	0.8
145.10118	0.3
146.06007	0.7
149.04683	0.3
153.96983	0.2
156.81158	0.2
159.11696	0.5
162.05489	2.3
164.07069	6.2
177.11115	0.3
180.06555	27.8
181.06917	0.5
189.09120	1.1
239.15001	1.6
246.22153	0.6
247.99356	0.2
248.12846	4.2
262.21625	0.7
268.53848	0.2
384.25342	1.8
452.31592	27.1
453.21216	0.4
453.31824	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.2
56.05019	0.4
58.06603	0.8
60.08165	11.7
62.57611	0.4
67.05491	1.5
69.07063	1.1
71.07371	4.4
71.26914	0.6
71.27272	0.4
77.31817	0.4
79.05476	0.6
81.07035	1.4
83.04976	0.4
83.08620	0.5
85.06514	0.4
86.09706	26.2
91.05454	0.9
93.07028	1.1
95.04949	1.1
95.08610	0.9
98.98457	3.1
104.10741	100.0
105.03391	1.7
105.07040	1.5
105.11053	0.7
106.07339	0.7
107.08593	1.6
109.06585	0.4
109.10139	1.1
117.07081	0.5
119.08585	1.2
120.09002	0.5
121.10139	1.1
124.99999	20.1
129.06966	0.5
131.08554	0.4
132.08849	0.4
133.10135	1.2
135.11723	0.4
137.05920	0.4
143.01080	0.6
144.08954	0.4
145.10136	0.7
147.11670	0.4
152.68532	0.4
157.10207	0.6
159.11713	0.5
161.13254	0.6
173.13350	0.9
175.03903	0.8
184.07341	22.3
184.12027	0.5
187.14844	0.8
201.01828	1.0
202.02577	0.8
203.03023	0.5
230.02127	1.2
231.02637	0.9
241.08810	0.6
241.15843	0.4
245.04451	1.9
246.04880	1.6
277.13983	0.5
280.07074	0.4
329.10245	2.6
330.10547	5.1
344.12207	0.5
365.13760	0.5
366.14246	1.5
442.87067	0.4
452.35132	19.2
453.34897	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	453.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.1
53.03948	4.3
55.01866	0.5
55.05515	2.3
62.96030	0.4
63.28052	0.4
64.38721	0.4
65.03937	1.1
66.54690	0.4
67.05497	3.5
69.07066	3.9
69.51614	3.3
70.85572	0.4
71.04993	0.7
74.11338	0.4
77.03914	0.8
79.05503	3.0
81.03407	0.6
81.07056	1.3
83.01348	0.8
85.06538	1.8
87.78150	0.4
91.05476	2.7
93.07036	1.2
93.37348	0.4
95.04965	6.7
95.08611	1.0
103.05466	0.6
105.03391	100.0
105.07002	1.0
106.03716	0.9
107.08578	0.8
109.10160	1.5
111.11711	0.9
115.05439	0.6
117.06997	0.6
119.04957	1.4
119.08575	0.5
121.10143	2.2
123.04436	2.6
128.06192	0.4
129.07008	0.9
131.04926	3.7
131.08484	0.5
133.10117	0.5
141.06996	0.6
142.07802	0.8
143.04944	0.7
145.06483	1.1
147.04424	4.9
148.93411	0.4
157.10184	0.7
157.32887	0.4
159.04398	4.8
163.02585	0.4
163.03825	2.3
171.04454	1.6
171.08168	0.6
173.06026	1.2
175.03908	38.3
176.04361	0.9
176.49428	0.4
177.05553	0.7
185.06021	0.8
185.09688	1.0
187.03911	22.8
187.07521	1.7
189.05531	2.2
189.07362	0.8
189.09093	10.7
195.08102	0.9
196.08844	0.6
198.06783	1.4
199.03906	6.1
199.07513	1.5
201.05487	2.4
201.09128	0.7
203.03427	3.6
203.06989	2.2
207.10107	3.6
211.07635	0.6
213.05510	2.9
213.09174	1.0
215.07025	1.4
217.08546	2.6
223.07571	1.4
226.06261	10.5
227.06952	0.8
228.07831	2.4
229.08597	13.7
231.06628	0.5
231.10120	1.1
241.08591	28.6
242.08966	0.9
243.10162	10.4
244.10448	0.5
245.08020	2.3
247.09695	4.3
253.08475	2.1
255.10127	2.2
257.08246	0.5
259.09717	0.8
269.11813	0.9
271.09677	1.1
295.13251	8.4
313.14337	12.7
314.14670	0.6
331.15506	0.7
420.69308	0.4
453.33594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
55.05506	0.5
57.07061	0.3
60.75822	0.3
65.03934	3.1
65.65461	0.2
66.24101	0.2
67.05500	0.6
69.07059	1.0
69.27589	2.6
70.06582	0.2
79.05481	0.6
81.07056	0.9
83.08620	0.3
86.02428	6.5
89.06032	1.6
91.05470	0.6
93.07037	1.0
95.08617	1.0
98.20753	0.5
100.11254	0.3
100.98638	0.2
104.03462	3.4
105.07021	1.1
107.04953	3.3
107.08592	1.8
109.10165	0.8
111.04439	2.0
111.28579	0.3
119.08581	0.7
121.02863	100.0
121.10165	0.8
122.03209	0.9
123.04447	0.4
123.11751	0.4
129.06261	0.2
133.08592	1.0
133.10155	0.5
135.11703	0.6
136.07579	0.4
138.12785	0.6
145.10103	0.4
146.05962	0.3
147.11691	0.8
161.13293	0.3
162.05481	0.5
163.14877	0.3
164.07059	4.3
177.32628	0.2
180.06558	14.3
189.09093	1.4
203.17969	0.7
239.14813	0.7
248.12785	3.1
264.23312	0.3
326.21027	0.2
328.57492	0.2
384.25430	0.9
452.31580	17.4
453.31714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72324	2.4
53.03933	8.8
53.32929	2.4
55.01863	10.4
55.05500	8.8
57.03429	8.7
59.04990	3.3
61.02931	5.0
67.05505	22.5
68.48470	2.0
69.03133	2.5
69.03432	23.6
69.07057	8.2
69.24922	14.1
69.25346	9.5
70.06592	23.9
71.04998	36.9
72.08154	4.9
73.02928	5.7
79.05507	14.2
81.03416	30.7
81.07054	37.0
82.06556	2.9
83.04982	5.0
84.04505	3.8
84.08127	7.7
85.02904	60.9
85.06539	37.1
86.09702	16.3
87.00841	19.1
90.10934	2.4
91.05477	19.8
93.07036	16.3
95.04984	5.6
95.08600	27.9
97.02903	25.3
97.06500	4.6
99.04449	9.2
100.07632	4.5
103.04015	2.7
105.01875	16.8
105.03392	3.2
105.07027	26.7
107.08588	35.1
109.02876	32.2
109.06522	7.3
109.10139	25.6
110.07182	4.4
111.08109	2.9
119.08549	2.5
120.08099	8.9
121.02882	3.4
121.10178	2.3
123.04445	2.8
123.08068	28.3
123.11724	13.8
124.07600	4.0
125.09628	7.3
127.03919	43.0
128.07077	3.5
133.06483	2.7
133.10133	51.0
136.07593	4.6
141.09091	4.7
141.12737	3.3
143.10687	3.8
145.04964	14.4
146.06017	9.1
147.04420	3.3
150.06276	2.7
151.03873	3.1
151.07571	4.5
151.11185	76.0
159.02888	9.5
162.05388	2.9
169.08562	4.9
169.12251	86.7
170.12553	3.0
174.05519	5.3
187.09726	20.3
187.13289	100.0
188.13603	3.0
189.09091	2.6
207.10147	3.1
231.05016	7.9
237.18477	3.3
249.06062	3.5
287.05579	12.0
288.05838	38.7
289.06018	31.2
290.06308	41.0
313.12787	8.8
331.08405	2.4
339.08890	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	452.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
52.21030	0.4
53.03946	2.7
55.05497	1.0
65.06879	0.4
67.05492	1.7
69.03429	0.7
69.07079	1.0
69.43343	3.0
70.06580	1.0
71.04986	0.4
71.08629	2.7
72.08153	12.5
74.43507	0.4
75.21018	0.4
77.03943	1.4
79.05488	1.1
81.03423	1.5
81.07057	2.1
83.04984	0.5
84.08137	4.6
85.02895	0.5
91.05471	1.8
93.07031	1.0
95.04968	5.2
95.08603	1.8
97.02898	0.5
97.10149	0.5
99.08091	4.7
104.65041	0.5
105.03387	99.6
105.07028	1.2
106.03711	1.4
107.08557	1.5
109.10140	1.4
110.09697	0.6
112.11243	5.0
116.10728	1.0
116.16658	0.4
118.06520	0.8
119.08570	1.9
121.10146	0.9
123.11646	0.5
125.38264	0.4
127.03868	0.5
128.06236	0.5
128.10712	1.0
129.07014	0.8
131.08641	0.6
133.10120	1.4
134.06007	5.9
135.11713	0.5
145.10129	1.0
146.10481	0.7
147.08067	0.5
147.11693	0.8
148.11998	0.5
157.10057	0.6
158.10469	0.5
159.08008	0.5
161.10745	15.3
162.09132	100.0
163.09496	1.8
170.15392	9.2
171.11687	0.5
176.10654	1.6
206.08170	0.6
215.05585	0.7
225.19571	0.5
227.21083	2.8
233.16478	43.5
234.16689	1.6
243.05104	0.7
244.06113	0.9
258.07629	4.5
272.05524	0.6
286.07101	3.3
330.25394	35.4
331.23166	2.4
337.19089	2.6
354.21799	6.7
434.27606	0.7
452.13150	4.4
452.22958	0.7
452.28870	8.8
453.13303	0.9
453.18958	0.7
453.28888	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.7
55.01860	9.0
55.05500	6.2
56.93165	2.0
57.03421	7.3
59.04998	2.5
60.04512	8.2
61.02921	3.7
61.54096	2.0
67.05505	14.0
69.03434	24.7
69.07064	17.7
69.75462	11.7
70.06592	64.4
71.04996	16.8
72.08145	8.7
73.02915	6.8
76.15726	2.5
79.05480	8.5
81.03414	26.4
81.07059	30.1
83.04980	3.3
84.04499	3.9
84.08127	5.0
85.02907	55.5
85.06507	3.9
86.09705	14.0
87.00824	22.1
91.05475	15.3
93.07046	16.6
95.04970	9.1
95.08599	9.7
97.02892	21.2
97.06534	5.9
98.06060	3.7
98.09170	2.2
98.21430	2.3
99.04453	10.8
103.05474	2.6
105.01865	19.1
105.07016	8.4
107.04952	4.6
107.08599	43.0
109.02888	33.3
109.06519	5.3
109.10155	17.3
111.08049	3.5
113.05994	5.0
116.07073	5.7
117.01859	3.3
118.06531	7.2
119.04938	8.0
119.08629	2.6
120.08118	6.0
121.02854	4.1
123.04438	4.8
123.08041	3.4
123.11697	25.8
125.09654	2.2
127.03908	37.3
127.11179	6.2
129.01820	3.0
129.10178	2.5
131.04982	2.3
131.08597	2.3
133.10138	29.1
135.04353	2.9
135.06792	2.2
136.07610	18.4
145.04988	22.1
146.05998	21.7
147.04367	6.7
150.07797	5.4
151.11179	84.5
152.07018	3.2
152.11526	2.9
157.09737	10.1
159.02841	16.7
163.03912	3.4
165.05492	7.7
169.12233	100.0
170.12546	2.6
182.08119	6.6
182.11751	2.2
185.09229	5.1
188.06839	2.5
205.04933	3.9
206.05278	3.8
213.04044	4.7
231.05005	12.5
260.10297	3.9
385.67896	4.2
399.16629	3.1
417.17447	4.2
429.20157	2.7
435.17462	3.0
452.25015	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	452.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01852	0.4
55.05507	0.6
56.05019	0.3
57.03440	1.2
57.27109	0.3
57.46600	0.3
61.02911	1.0
62.15577	0.3
63.99151	0.3
67.05488	0.5
68.99778	0.4
69.03429	7.8
69.19054	2.9
70.06596	2.0
71.04977	1.0
72.00324	0.2
72.08131	0.5
73.02917	1.4
74.06067	0.3
76.03996	0.3
79.05480	0.4
79.78485	0.2
81.03416	6.6
81.07038	0.9
83.01315	0.3
83.04966	0.4
84.04498	0.5
84.08122	0.8
85.02905	7.5
86.09690	0.6
87.00837	3.6
87.04446	0.5
91.05487	0.5
93.07011	0.4
94.72543	0.2
95.04967	0.3
97.02319	0.3
97.02903	4.1
98.05988	0.3
99.04456	1.9
105.01871	1.6
107.08560	0.4
109.02876	4.9
109.06495	0.4
117.01858	0.5
120.08090	0.5
121.02873	0.3
123.08101	0.3
124.03928	0.3
126.05502	0.4
127.03927	6.4
130.06506	0.9
136.03931	0.9
143.07286	0.3
145.04990	1.1
151.11212	0.7
154.04968	0.5
158.06021	1.4
158.09576	0.4
159.02910	1.5
159.06747	0.5
160.07578	0.8
162.05528	1.3
169.12254	0.5
172.07530	0.3
176.07016	0.3
184.07480	0.4
186.09140	83.6
187.09470	1.9
188.03799	0.9
204.10197	100.0
205.10529	2.9
231.04939	0.5
280.08115	0.4
366.15475	6.7
408.11258	0.5
408.16547	7.7
409.16711	0.5
434.14362	1.5
452.15533	25.9
453.16147	1.3
462.36588	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23536	0.2
53.03931	0.3
58.08812	0.2
69.03435	1.1
70.06591	0.5
70.76398	0.4
70.76724	0.2
72.08131	0.2
80.05013	0.5
81.03417	0.6
83.01371	0.2
84.08122	0.2
85.02892	1.1
92.05000	5.9
95.01323	0.4
97.02917	0.4
99.04452	0.7
108.04481	1.6
109.02877	0.5
110.06026	0.2
119.89633	0.2
121.02889	0.3
127.03918	0.9
136.03888	2.1
137.02313	0.3
139.03867	0.2
147.04433	0.2
154.04987	100.0
155.05359	1.5
156.05383	0.3
170.05728	0.3
205.53911	0.2
216.85857	0.2
280.08157	21.3
281.08508	0.5
298.09201	4.4
430.38947	0.2
434.11005	0.3
452.12003	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3207
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
53.03926	2.4
55.01863	2.3
55.05518	8.3
55.54531	1.6
57.07071	2.4
59.04988	1.9
65.03923	2.5
67.05506	14.5
69.03423	2.8
69.07071	11.8
69.76794	5.3
69.77208	2.7
71.04980	2.7
79.05495	14.2
81.03396	1.5
81.06606	1.2
81.07063	23.3
83.05013	8.1
83.08608	4.4
85.06524	3.9
91.05472	16.7
93.07050	26.7
95.04967	23.6
95.08609	33.0
97.02867	2.0
97.06524	4.2
98.20843	1.5
99.08076	1.9
101.06020	2.7
103.05424	1.7
105.04487	1.6
105.07027	27.8
107.08593	27.5
109.06522	5.8
109.10157	23.5
111.08077	4.1
111.11695	2.0
115.05466	2.8
117.07027	10.2
119.00283	1.4
119.08582	34.9
121.06519	4.0
121.10151	26.6
121.10997	0.9
122.10497	1.8
123.08057	4.0
123.11733	9.0
128.06216	3.2
129.07034	7.5
131.08559	17.9
133.06453	1.6
133.10124	26.1
135.08076	5.6
135.11685	11.2
137.09618	2.7
137.13257	4.2
139.07578	4.0
141.06927	1.7
142.07751	5.1
143.08546	13.4
145.10120	23.0
147.08093	3.6
147.11688	23.4
149.09599	3.3
149.13297	4.9
151.11240	1.7
153.07004	1.6
153.09114	4.7
154.07825	1.6
154.98949	1.7
155.08546	8.3
156.09386	2.2
157.06468	1.6
157.10126	15.7
159.08075	3.2
159.11691	22.1
161.09642	5.8
161.13248	8.4
163.11165	1.9
163.14821	4.0
167.08583	2.9
168.09399	2.4
169.10126	8.7
170.10965	2.0
171.08092	1.4
171.11694	14.5
173.09656	3.9
173.13252	13.3
175.03938	2.3
175.11234	2.9
175.14833	9.2
179.08698	2.2
179.10620	1.5
181.10109	5.7
182.10944	1.8
183.11687	10.7
184.12349	1.5
185.13269	15.1
187.11183	3.1
187.14815	16.0
189.12753	3.6
189.16428	6.1
191.10580	2.1
193.10234	1.9
195.11731	7.5
197.13240	8.7
199.11140	2.1
199.14772	8.4
201.12749	3.8
201.16370	12.0
203.14294	2.0
203.17882	2.4
205.15915	1.6
207.11723	2.5
208.12523	2.2
209.13260	6.0
211.14786	6.7
213.12729	3.9
213.16426	4.4
215.14246	2.1
215.17946	2.6
216.04152	1.9
217.15970	1.6
219.11777	1.6
221.13252	3.9
223.14835	6.1
224.15559	1.9
225.12794	1.8
225.16406	4.0
227.14314	1.5
227.17934	3.8
229.15948	4.0
231.13779	5.2
235.14783	2.9
237.16466	3.8
239.14368	1.6
239.18028	3.2
241.15942	3.6
241.19511	3.0
243.17465	2.2
245.04410	3.5
249.16512	3.1
251.17923	4.1
253.19513	3.7
255.21057	2.1
257.04504	2.1
257.15289	1.6
259.06030	4.7
259.16916	2.4
261.16458	1.9
263.17953	2.2
265.16406	1.6
265.19559	2.9
266.05771	2.2
269.19043	3.1
277.19702	1.5
279.06558	3.6
279.17374	1.6
279.21036	2.3
281.08047	1.7
293.22617	3.3
295.24228	5.2
297.18445	3.8
297.21771	2.1
311.09042	2.4
311.23633	3.5
315.19611	5.2
319.24030	8.1
321.25644	1.9
323.20090	2.5
329.10229	4.1
333.25937	1.8
337.14349	1.9
337.21661	2.6
337.25177	6.9
341.21115	1.7
343.11801	3.1
355.22778	3.2
363.26987	2.1
365.13736	8.8
367.22653	2.5
375.26804	2.5
391.30228	1.8
393.28159	7.3
395.14862	2.3
405.31778	2.0
415.29935	8.8
433.21021	1.8
433.31000	36.8
451.21616	3.8
451.32071	100.0
452.32571	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	451.3204
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
51.94200	2.5
53.03934	2.5
55.05498	7.1
55.91284	2.4
56.59240	2.4
57.07051	2.5
67.05495	17.9
69.03399	3.1
69.07056	8.8
70.34102	9.6
71.04984	5.2
72.91682	2.1
79.05489	14.7
81.07052	28.2
83.04973	12.8
83.08600	4.3
85.06535	4.4
91.05464	18.8
91.40162	2.3
93.07047	24.5
95.04974	30.7
95.08611	42.9
97.06528	6.4
97.10213	2.7
99.04480	3.2
101.03845	2.3
101.05990	4.6
105.07037	38.4
105.98928	2.7
107.08598	42.0
109.06526	6.5
109.10161	35.9
111.08097	4.3
117.07011	9.2
119.08584	39.6
121.06512	6.4
121.10136	34.2
123.08035	4.4
123.11679	13.0
125.05979	4.7
127.07533	2.3
129.07019	6.4
131.08559	23.5
133.06508	4.0
133.10126	33.7
135.08067	7.2
135.11674	15.5
137.05971	3.6
137.13226	6.2
139.07506	2.9
142.07793	2.9
143.08589	16.5
145.10130	28.2
146.10822	2.2
147.11690	22.7
149.09595	3.8
149.13297	8.4
155.08594	10.1
157.10095	17.7
158.10841	2.5
159.08078	4.7
159.11710	26.2
161.09592	6.8
161.13220	13.8
163.11246	5.5
163.14859	4.2
165.12823	3.7
167.08548	5.7
168.64732	2.5
169.10155	13.3
171.11703	20.8
173.09645	5.5
173.13271	23.7
175.11200	4.1
175.14816	11.7
181.10091	5.6
183.11678	15.8
185.13268	12.2
186.14111	2.6
187.14807	14.4
189.12724	4.5
189.16389	9.7
195.11694	7.8
197.13240	12.5
199.11211	3.0
199.14801	14.5
201.12726	5.0
201.16367	17.6
203.14410	3.9
203.18040	3.2
209.13309	4.6
211.14885	8.6
213.12718	6.4
213.16402	9.3
215.14279	3.8
215.17986	7.2
217.15898	2.5
223.14828	8.3
225.16374	9.4
227.14342	4.0
227.17981	6.4
229.15860	3.1
229.19518	2.8
231.13824	3.9
233.13199	2.4
237.16344	5.0
239.14241	3.5
239.17978	3.6
241.15897	3.3
241.19583	4.6
245.15327	4.5
249.16423	3.9
255.17451	2.4
263.17914	3.3
271.20419	3.1
279.21103	3.3
291.21225	2.6
293.22662	4.9
295.24216	7.4
297.18735	6.5
311.23572	3.1
315.19604	9.4
316.86169	2.7
319.20752	2.5
319.24323	8.0
337.25214	5.1
355.22583	2.9
393.27798	4.9
415.29926	7.1
433.30936	32.7
451.32053	100.0
452.32452	5.3
474.75766	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	451.3206
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
53.03954	2.5
55.01870	3.5
55.05511	14.8
65.03937	2.9
67.05502	22.6
69.03404	2.2
69.07072	11.4
69.15331	2.1
69.59718	12.2
71.04987	3.7
79.05499	18.1
81.03396	2.9
81.07061	33.2
83.05000	11.7
83.08616	3.6
85.06540	5.8
91.05492	23.3
93.07043	30.7
95.04970	30.7
95.08600	44.5
97.06555	5.6
97.10168	2.0
98.21489	4.1
101.06026	2.4
105.07032	43.5
107.08592	36.6
109.06516	8.5
109.10145	30.4
111.08114	2.8
111.11734	2.3
115.05433	3.6
117.07016	12.3
119.08584	48.8
121.06463	5.4
121.10139	30.8
123.08056	4.9
123.11685	11.4
128.06224	6.2
129.07002	6.0
131.08563	24.6
132.68304	1.9
133.10132	38.0
135.08041	4.6
135.11711	14.2
137.13264	4.7
139.07561	3.0
141.07033	3.0
142.07808	4.9
143.08531	20.1
145.10130	35.8
147.11674	26.4
149.09663	4.2
149.13287	7.6
150.66309	2.3
154.07716	3.4
155.08553	9.2
156.09355	3.4
157.10147	25.8
159.08051	2.7
159.11679	26.8
161.09648	5.0
161.13304	10.9
163.11226	4.8
163.14754	2.4
167.08554	4.6
168.09296	2.7
169.10146	12.2
170.10863	4.0
171.11693	19.7
173.09601	4.5
173.13280	25.2
175.11150	4.4
175.14838	13.7
179.08493	2.7
181.10086	7.3
182.10905	2.9
183.11635	13.9
184.12439	2.1
185.13206	14.5
187.11177	4.3
187.14851	16.2
189.12680	4.5
189.16394	8.5
191.14285	2.3
193.10107	3.8
195.11674	11.2
196.12466	2.8
197.13300	11.2
199.11241	4.2
199.14851	12.5
201.12753	4.1
201.16426	14.9
203.14352	4.9
203.17964	3.0
205.15887	2.3
207.11913	3.0
209.13226	9.8
211.14827	11.3
213.12787	7.1
213.16353	6.2
215.14281	4.0
215.17955	5.6
217.15894	3.4
221.13203	5.6
223.14763	8.6
225.12756	2.7
225.16447	6.4
227.14284	4.4
227.17964	5.1
229.15845	5.0
229.19629	4.4
231.13853	3.4
235.14922	2.4
237.16403	6.4
239.17972	3.5
241.15849	2.8
241.19551	4.1
243.21169	2.4
245.15448	2.7
247.96353	2.1
249.16522	4.1
251.17854	3.6
253.19736	2.5
259.17093	3.7
261.14606	2.4
267.21112	2.3
269.19064	2.5
271.16971	2.2
277.19464	2.4
279.17554	3.6
279.21082	3.3
287.20169	2.9
293.22580	4.0
295.16916	2.3
295.24274	5.9
297.18488	6.7
311.19608	2.3
311.23193	2.2
315.19363	10.2
319.24240	6.0
337.25266	5.9
355.22870	3.1
363.26965	3.0
375.26718	5.0
393.27835	8.1
395.25797	2.0
405.31601	3.0
411.32043	2.1
415.30069	6.1
433.30997	31.8
451.32071	100.0
452.32291	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	451.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48140	1.2
55.05508	8.0
56.62957	1.2
57.07066	3.1
59.04995	1.7
60.21451	1.1
67.05505	17.0
69.03420	3.4
69.06794	1.0
69.07075	11.5
69.43430	9.9
71.04986	5.1
79.05492	14.2
81.07057	22.6
83.04986	11.0
83.08617	3.8
85.06527	3.0
88.33974	1.3
91.05472	17.8
93.06477	2.2
93.07040	29.7
95.04373	2.2
95.04964	25.3
95.08611	35.2
97.06519	5.5
99.04461	2.1
101.06010	2.0
103.05462	1.5
105.07035	32.2
105.21836	1.2
107.08588	32.3
107.09305	1.9
109.06518	5.9
109.10163	29.7
111.08077	3.5
115.05440	1.9
117.07034	10.7
119.08582	38.5
121.06517	5.0
121.09319	2.4
121.10147	29.9
123.08075	2.9
123.11686	11.1
125.05959	2.8
125.09638	1.4
127.07526	1.4
128.06245	2.1
129.06982	5.9
130.07787	2.2
131.08571	19.4
133.06499	1.7
133.10133	27.3
135.08092	3.7
135.11693	14.8
137.09578	2.5
137.13258	5.0
139.07556	3.0
141.06963	2.9
142.07802	4.2
143.08571	15.5
144.09351	1.6
145.10129	26.1
147.08064	5.1
147.11665	23.5
149.09570	3.7
149.13277	6.4
151.07509	1.3
153.09096	2.7
155.07433	1.1
155.08571	7.6
156.09311	2.8
157.10123	18.8
159.08061	3.8
159.11702	23.4
161.09653	6.2
161.13274	13.4
163.11142	3.1
163.14824	5.2
165.07079	1.8
165.09099	1.5
166.07748	1.4
167.08565	3.3
168.09293	1.6
169.10085	11.0
170.10905	1.9
171.11676	15.5
173.09587	3.5
173.13261	20.1
175.11201	4.4
175.14850	11.7
177.12703	1.5
177.16368	3.5
179.08562	2.0
180.09351	2.6
181.10039	6.5
182.10860	1.4
183.11693	12.2
184.12469	2.1
185.09651	1.5
185.13255	14.9
186.14149	1.5
187.11232	4.3
187.14821	15.6
189.12703	3.0
189.16396	9.7
193.10138	2.3
195.11723	7.9
197.13293	11.4
199.11317	1.6
199.14830	10.0
201.12744	5.7
201.16383	12.7
203.14378	3.6
203.17953	2.1
205.12289	1.7
205.15886	1.5
207.11769	3.3
209.13234	6.6
211.11220	1.5
211.14774	7.8
213.12749	3.7
213.16376	5.6
215.14279	4.9
215.17957	5.1
217.15855	3.1
219.11725	1.6
221.13239	3.3
222.13995	1.5
223.14897	6.4
225.16357	6.4
227.14241	3.2
227.17984	5.5
229.15939	2.8
229.19472	4.7
231.13835	4.4
233.15459	1.9
235.14861	4.1
237.16414	3.9
238.09187	1.2
239.18016	5.1
241.15855	2.7
241.19514	4.5
241.41573	1.4
245.15436	3.7
247.14789	1.7
249.16475	3.1
251.17934	3.8
253.15883	1.8
253.19489	2.0
255.17554	1.8
255.21043	2.0
256.75275	1.4
257.15375	1.9
257.19070	1.4
261.14597	1.5
263.18024	2.4
265.19406	2.4
269.19012	1.5
271.20499	2.6
277.19415	1.9
279.17542	2.4
279.21005	2.2
283.16806	1.4
285.22153	2.1
287.19998	4.0
289.19397	1.8
293.22659	3.0
295.17148	1.6
295.24231	6.9
297.18399	3.5
297.21976	1.4
311.23563	2.6
315.19461	8.1
317.22714	1.6
319.20776	1.5
319.23978	5.8
321.25784	2.9
331.24118	1.5
333.25751	2.3
337.21643	1.9
337.25342	3.9
355.22565	3.8
363.22922	1.9
363.27023	2.8
367.23056	1.6
375.26941	2.6
393.27725	6.4
405.31812	2.1
407.29398	1.7
415.30002	8.2
423.32642	1.8
433.31024	38.0
434.31412	3.7
451.32068	100.0
452.32230	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3205
Annotation	Argentatin F
Peak:m/z	Relative Intensity
53.03932	2.1
55.05510	10.2
57.03424	1.8
57.07066	4.3
67.05505	16.3
69.07076	12.9
71.04987	6.5
79.05476	13.2
81.07057	23.7
83.04972	8.4
83.08626	2.5
85.06541	3.0
89.04457	1.7
91.05492	16.6
93.07049	24.0
95.04968	24.0
95.08612	36.9
97.02910	1.8
97.06516	5.1
97.10143	2.8
99.04465	3.3
101.05984	3.0
103.05523	1.9
105.07035	27.7
107.08586	31.6
109.06524	5.7
109.10153	24.6
111.08075	2.3
112.00974	1.5
115.05453	3.5
117.07026	10.6
119.06174	2.2
119.08576	37.9
121.06490	5.8
121.10142	26.0
123.08040	3.7
123.11692	12.0
128.06233	2.9
129.07014	6.2
130.07825	1.8
131.08566	21.6
133.06525	4.4
133.10114	31.3
135.08046	5.2
135.11674	16.2
137.09601	2.4
137.13246	4.5
141.07042	2.2
142.07771	1.8
143.08571	16.4
145.10126	28.8
145.11192	3.0
147.08032	4.9
147.11682	22.0
149.09657	2.3
149.13263	5.7
153.06969	2.0
153.09123	5.4
154.07829	2.9
155.08612	7.6
156.09270	3.4
157.10159	15.6
158.10953	2.2
159.08047	2.7
159.11694	21.2
161.09657	6.6
161.13229	9.8
163.11217	1.9
163.14821	5.1
165.06976	1.8
167.08563	4.8
169.10092	14.0
170.10945	2.1
171.11690	13.9
172.12552	1.8
173.09683	4.0
173.13269	21.7
175.11179	3.9
175.14842	10.9
177.16417	2.0
179.08545	2.7
181.10059	8.1
182.10909	1.9
183.11681	13.1
184.12419	2.1
185.09724	2.6
185.13239	16.7
187.11070	2.4
187.14836	15.2
189.12694	2.9
189.16368	10.5
193.10242	2.7
194.10936	2.1
194.44948	1.7
195.11694	7.7
197.13240	10.0
199.11125	3.3
199.14819	7.5
201.01889	1.8
201.12770	4.4
201.16335	12.5
203.14307	3.5
207.11630	2.9
208.12540	1.9
209.13249	7.3
211.14758	9.3
213.12784	4.4
213.16432	5.5
215.14377	3.4
215.17853	3.0
219.11636	2.3
221.13234	5.3
223.14806	9.8
225.16383	4.1
227.14297	3.9
227.17949	4.8
229.15903	2.4
229.19582	2.0
230.02110	3.9
231.13843	4.0
235.14876	4.1
237.16354	4.7
239.17999	4.2
241.19536	3.8
245.04503	4.7
247.14717	2.2
249.16484	3.8
251.18039	5.4
255.17296	2.6
255.21049	2.1
263.18018	4.3
265.19766	1.9
269.19156	2.2
275.17963	2.8
277.19492	3.5
279.17349	3.1
279.20984	2.8
281.22440	2.3
283.20331	1.7
287.20255	2.9
291.21082	3.2
295.20883	2.0
295.24265	5.5
297.18652	5.2
305.22617	2.5
315.19586	6.0
319.24225	7.8
329.10107	9.6
333.25732	2.2
337.25089	8.7
349.25214	2.0
355.22598	3.7
363.27014	2.6
367.22726	2.6
375.26920	3.7
393.27972	5.7
405.31622	3.3
415.29877	7.9
423.32968	2.6
433.31006	35.3
451.32095	100.0
452.32324	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	451.3206
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
53.03936	3.0
53.91941	2.2
55.05508	10.1
57.03425	1.8
57.07066	3.1
59.05004	3.8
61.27267	1.8
64.17923	1.6
67.05506	18.0
69.03423	4.5
69.07067	12.0
69.44008	12.9
70.10875	1.7
71.04993	5.2
71.48503	1.7
79.05492	17.3
80.03333	1.6
81.03421	2.1
81.07057	26.3
83.04978	11.4
83.08601	3.4
85.06551	2.9
86.11945	1.9
91.05487	22.4
93.07042	33.7
95.04970	26.7
95.08611	39.9
96.12800	1.8
97.06528	5.5
99.08098	2.2
105.07026	40.2
107.04980	2.7
107.08599	35.8
109.06517	7.9
109.10162	37.1
109.43120	1.7
111.08076	2.7
115.05433	2.0
117.07024	9.9
119.05000	2.1
119.07808	3.8
119.08585	41.4
121.06509	6.5
121.10140	27.6
123.08035	4.4
123.11720	8.1
125.05996	2.9
128.06189	2.5
129.07001	9.7
131.08569	25.4
133.06508	3.6
133.10130	31.9
135.08023	5.9
135.11685	16.0
137.09662	2.1
137.13248	6.7
139.07524	3.9
141.06993	2.4
142.07797	4.2
143.08562	18.0
145.10117	35.1
147.08037	5.2
147.11690	22.8
149.09663	3.0
149.13246	5.8
153.09129	3.3
155.08533	9.7
156.09348	3.8
157.10129	16.3
158.10973	2.0
159.08026	2.4
159.11713	23.8
161.09645	5.3
161.13263	14.6
163.11157	4.0
163.14870	3.5
165.07028	2.4
167.08568	4.3
169.10127	12.3
171.11702	17.4
173.09647	3.2
173.13261	18.3
174.01532	1.8
175.14807	12.7
176.72110	1.6
177.16472	3.4
179.08469	2.6
181.10165	6.1
182.11034	2.0
183.10341	2.3
183.11731	14.0
185.13251	14.9
187.11240	3.0
187.14792	18.4
189.12730	4.0
189.16432	10.2
193.10132	2.6
195.11703	8.0
196.12347	2.4
197.13338	10.3
199.14799	14.1
201.12778	4.4
201.16359	16.7
203.14365	4.8
203.17963	3.2
207.11681	4.7
209.13254	8.5
211.14812	10.6
213.12750	5.8
213.16405	5.0
215.14384	3.0
215.17911	4.4
217.15858	1.8
221.13174	3.1
223.14873	9.0
225.16428	5.8
227.14398	1.9
227.17926	4.4
229.15826	3.1
229.19514	4.0
229.65997	1.9
231.13861	5.5
235.14806	3.3
237.16422	4.9
239.14305	2.5
239.17950	3.6
241.15858	2.3
241.19554	3.7
245.15411	3.8
249.16618	3.3
251.17889	2.4
253.19513	5.3
267.17569	2.2
267.21109	1.8
269.18982	2.3
271.16785	2.7
277.19324	2.5
279.20865	2.6
287.20169	2.8
291.21265	2.0
292.84009	1.8
293.22549	3.9
295.17044	2.2
295.20718	2.0
295.24106	6.7
297.18399	5.9
311.23575	3.5
315.19513	4.4
319.24176	5.4
321.25873	2.3
331.24423	2.4
333.26172	1.9
337.25311	6.5
355.22617	3.3
363.26978	2.5
367.22711	2.7
375.26862	3.1
393.28009	4.9
405.31934	2.3
415.29968	9.3
416.41275	2.0
420.43890	2.0
433.31058	34.9
451.32092	100.0
452.32373	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	451.3208
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
50.03654	1.6
52.06430	1.8
53.03947	2.8
53.64849	1.5
55.01870	2.5
55.05510	11.9
57.07071	2.2
65.03955	1.6
67.05505	18.2
68.63005	1.6
69.07071	13.8
69.51234	13.5
71.04992	4.2
79.05499	14.2
81.03428	4.3
81.07059	35.4
83.04988	13.5
83.08627	2.6
85.06561	3.5
91.05480	21.6
93.07048	33.2
95.04972	21.2
95.08611	38.6
97.06535	5.6
97.10162	2.4
99.04456	2.9
99.08125	2.2
101.06007	2.5
105.07038	34.3
107.08590	36.8
109.06512	8.0
109.10162	31.0
111.08107	2.5
117.07018	8.3
119.08584	41.5
121.06483	6.0
121.10150	30.4
122.10476	1.7
123.08054	4.4
123.11679	11.6
128.06227	3.8
129.06992	6.9
130.07877	2.1
131.08572	20.2
133.06448	4.1
133.10143	31.6
135.08022	4.8
135.11697	17.4
137.09677	2.0
137.13235	5.0
139.07570	2.7
141.06969	4.0
142.07776	5.5
143.08568	19.1
143.20576	1.8
144.09370	2.5
145.10114	23.7
147.08043	5.9
147.11674	26.1
149.09628	4.1
149.13277	7.3
153.09106	2.7
155.08560	9.7
156.09360	3.4
157.10110	16.9
158.10817	1.8
159.08147	1.8
159.11693	22.2
161.09621	5.0
161.13245	10.6
163.11186	5.9
163.14880	3.7
167.08569	3.5
169.10115	11.3
171.08118	2.7
171.11687	17.5
173.09613	3.6
173.13295	19.1
175.11177	4.1
175.14801	12.7
177.16380	4.5
179.08496	2.9
181.10126	5.6
182.66365	1.9
183.11702	13.4
185.13297	12.3
187.11250	4.6
187.14799	19.4
189.12787	4.7
189.16312	9.1
191.14282	2.7
191.17914	1.9
193.10179	3.1
194.56535	1.8
195.11752	9.1
197.13254	13.2
198.14011	2.4
199.11186	2.7
199.14833	10.6
201.12846	3.9
201.16393	15.9
203.14348	3.7
203.17986	4.1
205.15865	3.7
207.11757	5.2
208.12546	2.2
209.13274	9.7
211.14835	10.5
213.12732	4.0
213.16429	7.3
215.14435	2.1
215.17972	2.8
217.15982	1.8
221.13284	4.3
223.14822	8.2
225.16429	6.0
227.14349	4.2
227.18027	6.8
229.15901	3.0
229.19630	2.3
231.13818	4.4
235.14795	3.2
237.16441	5.2
239.14458	2.3
239.17992	5.0
241.15851	5.4
241.19524	3.1
245.15358	4.2
249.16347	2.9
251.17982	4.9
253.19522	4.5
257.15448	2.0
257.19226	2.0
259.16931	4.0
269.18994	2.6
277.19431	3.0
279.17429	2.4
279.20972	3.1
287.20041	4.0
295.24310	5.9
297.18597	9.1
302.60205	2.1
304.22260	1.9
311.20129	2.5
315.19437	10.5
319.24271	6.3
321.25616	2.8
333.25739	2.6
337.21683	2.4
337.25339	5.5
363.26828	2.8
367.22476	2.3
375.26944	3.3
393.27887	7.0
395.46558	2.3
403.29993	2.1
415.29733	8.9
433.31076	37.9
451.32095	100.0
452.32288	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	451.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01566	0.2
53.03924	0.2
55.01862	0.6
55.05514	1.6
57.03440	0.2
57.07066	0.6
59.04990	0.8
59.94386	0.1
61.66462	0.2
62.08224	0.2
65.03940	4.5
67.05508	2.1
68.99780	0.5
69.03419	0.8
69.07066	2.2
70.06581	0.4
70.10578	0.8
71.01346	0.4
71.04979	0.7
72.06174	0.2
79.01880	0.2
79.05503	1.0
81.03400	0.6
81.07059	2.9
83.01369	0.2
83.04982	0.6
83.08620	0.6
85.02892	0.3
85.06564	0.9
87.53325	0.2
91.05493	1.8
93.03392	0.2
93.07041	1.7
95.04961	0.6
95.08064	0.2
95.08611	2.9
97.02879	0.4
97.06513	0.3
97.10175	0.4
99.04499	0.2
103.05489	0.2
105.03388	0.2
105.07015	1.7
107.04978	0.4
107.08597	1.7
109.02886	0.4
109.06524	0.6
109.10164	2.3
111.04446	3.3
111.08086	0.3
111.11736	0.3
115.05470	0.3
117.07030	0.5
119.04955	0.6
119.08588	2.0
120.08108	0.2
121.02866	100.0
121.03892	3.6
121.10139	1.7
122.03192	1.3
123.08046	0.4
123.11707	0.7
125.09624	0.3
127.07554	0.2
128.06209	0.5
129.07001	0.5
131.04922	1.3
131.08549	1.1
133.06528	0.3
133.10124	1.9
135.08080	0.4
135.11685	0.9
137.05972	0.2
137.09587	0.3
142.07768	0.2
143.04964	0.3
143.08556	0.8
144.08101	0.3
144.09311	0.2
145.06500	0.3
145.10106	1.2
147.04424	1.5
147.08052	0.4
147.11659	1.2
149.09618	0.6
149.13275	0.4
155.08575	0.5
156.09309	0.4
157.10144	1.1
158.53697	0.2
159.04411	1.5
159.08063	0.2
159.11691	1.1
161.06053	0.3
161.09595	0.5
161.13268	0.6
163.03894	0.8
163.11150	0.4
163.14935	0.2
167.07130	0.3
167.08537	0.3
169.10168	0.5
171.04315	0.4
171.11722	0.6
173.06009	0.4
173.09647	0.3
173.13284	0.7
175.03902	8.9
175.11208	0.6
175.14850	0.5
177.05487	0.9
183.11711	0.7
185.06006	0.4
185.09557	0.3
185.13272	0.5
187.03908	5.9
187.05559	0.4
187.07495	0.5
187.14771	0.4
189.05499	1.1
189.12723	0.4
189.16452	0.5
191.14296	0.3
195.08128	0.2
195.11720	0.4
197.13220	0.4
198.06828	0.4
199.03917	2.1
199.07648	0.5
199.11172	0.4
199.14906	0.3
201.05481	1.2
201.09180	0.3
201.12888	0.3
201.16475	0.3
203.03374	0.9
203.07091	0.6
203.10718	0.3
203.14401	0.3
203.17886	0.2
205.08568	1.3
205.15973	0.2
207.11719	0.3
209.13217	0.3
211.07536	0.4
211.14790	0.3
212.04668	0.5
213.05498	1.6
215.07033	0.7
215.14334	0.5
216.97090	0.2
217.08691	0.7
217.15817	1.2
223.07597	0.3
226.06268	1.1
227.07056	0.8
228.07915	0.5
229.08606	3.5
231.06656	0.2
231.10161	0.9
239.07018	0.4
241.08582	4.9
242.09003	0.2
243.10184	3.3
245.08157	1.9
245.15277	0.2
247.09627	0.4
253.08542	0.6
255.10287	0.3
257.08011	0.4
257.19028	0.3
259.09738	0.7
267.39090	0.2
271.09470	0.2
271.13327	0.2
289.25351	0.3
295.13251	1.5
313.14322	4.3
329.20972	0.2
409.27283	0.2
433.31000	1.5
451.17715	1.0
451.32227	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	450.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
55.01848	0.7
55.05502	2.0
62.69633	0.5
67.05489	1.3
69.03417	0.7
69.07067	5.7
70.06588	1.7
70.13161	1.2
70.13553	0.8
72.08158	11.5
77.03930	1.3
79.05499	0.9
81.03423	0.9
81.07051	3.1
84.08125	4.5
91.05480	1.6
93.07065	1.1
95.04971	5.6
95.08599	0.7
97.06520	2.2
98.06055	1.4
98.09666	0.9
98.20803	0.7
99.68267	0.5
104.04970	0.6
105.03391	100.0
105.07026	1.3
106.03757	0.8
107.08580	0.6
110.09687	0.6
112.11239	5.4
121.06484	0.6
126.09169	6.1
134.06023	5.9
139.11133	0.5
141.52327	0.5
147.04451	0.6
149.06027	0.5
157.10046	0.6
161.09708	0.4
161.10742	16.2
162.09138	90.6
163.09462	1.4
167.15411	1.3
168.13834	9.8
176.10741	1.3
207.37013	0.5
208.40498	0.5
212.23293	0.6
225.19617	2.0
233.16484	38.4
242.08032	0.5
288.05844	0.7
288.08597	1.0
306.56448	0.7
328.23828	38.1
329.21841	2.5
337.19168	2.0
354.21698	5.0
358.24466	0.6
432.27469	0.6
450.27551	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.05506	2.4
57.03426	7.1
57.07082	2.2
61.14994	2.2
67.05504	4.9
69.03430	19.8
69.36951	8.8
69.37380	10.7
70.06587	4.8
71.04994	2.3
75.04474	6.1
79.05492	22.2
81.03419	19.3
81.07058	8.1
83.04990	2.7
85.02915	11.8
86.09701	6.6
87.04492	3.5
91.05479	15.2
93.07047	90.0
95.04995	4.4
95.08607	6.4
97.02897	13.3
99.04486	4.2
100.04881	2.3
101.99463	2.0
105.03459	2.4
105.07035	11.2
107.08606	17.3
109.02885	8.0
111.04503	2.1
111.08096	4.7
113.91537	2.1
119.08603	17.1
121.10144	100.0
123.08081	3.3
123.11705	2.3
127.03915	7.0
131.08563	7.5
133.10188	2.5
135.07999	3.4
136.06158	3.0
139.11179	4.4
145.05017	4.8
148.24181	2.2
149.02322	12.7
149.09625	48.6
163.03854	3.0
167.03427	19.6
167.07028	2.7
167.10686	31.2
184.07384	8.4
184.16609	2.6
205.04968	4.1
206.04526	2.8
207.06622	2.9
213.16646	2.3
271.13217	13.1
273.06342	8.9
283.15329	4.2
288.05850	5.8
288.08682	13.9
289.14371	4.0
293.01422	2.6
293.13831	13.7
311.14893	26.3
312.15314	2.8
353.33429	2.6
450.13638	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	450.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01862	1.0
55.05491	0.7
56.05026	0.5
57.03429	0.6
58.06590	0.2
60.04520	0.3
61.02919	0.6
62.67605	0.2
67.05508	0.5
68.05035	0.3
68.99781	0.4
69.03431	2.9
69.07071	0.4
69.38333	0.2
70.06594	4.5
71.04975	0.5
72.08142	1.1
73.02908	0.7
75.05645	0.2
78.04702	2.0
79.05485	0.7
80.05005	0.3
81.03415	3.4
81.07027	0.4
82.06573	0.5
84.04485	1.0
84.08140	2.6
85.02903	6.1
86.03206	0.3
86.06031	0.2
86.09698	1.1
87.00829	2.7
91.05466	0.6
93.07037	0.6
95.04978	0.8
97.02897	3.2
98.06054	0.3
99.04462	1.4
102.05460	0.3
105.01860	1.7
105.03400	0.7
106.04173	0.9
107.04932	0.7
107.08594	0.2
108.04494	1.5
109.02893	3.1
109.06528	0.3
110.07144	0.8
111.04424	0.3
112.07609	0.3
116.07071	0.7
117.01858	0.3
119.04916	0.3
120.08101	0.7
121.02840	0.9
121.06547	0.3
123.04417	5.1
124.05237	1.8
124.07592	1.0
126.05511	1.2
127.03912	3.9
128.07091	3.4
129.01866	0.3
129.10229	0.7
130.08650	0.4
131.08588	0.3
133.10170	0.3
134.03584	0.3
135.04395	0.3
136.07509	0.4
137.05978	0.4
138.98503	0.3
140.04613	0.3
140.07086	0.4
144.06630	0.2
144.10262	0.4
145.04938	1.3
147.04425	0.6
151.03906	1.4
152.04681	1.8
152.07111	0.3
153.01868	0.3
154.04961	1.0
154.08572	0.4
155.07014	0.5
159.02921	1.1
159.38846	0.2
160.07603	0.3
164.07092	0.3
167.07036	100.0
168.07428	2.8
172.92329	0.3
177.05377	0.3
184.99034	0.3
199.78079	0.2
230.06595	0.4
231.05057	0.4
232.09766	0.3
242.05203	0.3
243.06540	0.3
248.07655	0.9
261.12527	0.3
265.13535	0.3
271.02640	0.4
287.05582	2.4
288.05844	6.3
288.08853	0.3
290.14786	0.3
363.06830	0.3
432.22437	0.3
450.19431	0.6
450.26801	0.4
451.17661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01862	1.0
55.05491	0.7
56.05026	0.5
57.03429	0.6
58.06590	0.2
60.04520	0.3
61.02919	0.6
62.67605	0.2
67.05508	0.5
68.05035	0.3
68.99781	0.4
69.03431	2.9
69.07071	0.4
69.38333	0.2
70.06594	4.5
71.04975	0.5
72.08142	1.1
73.02908	0.7
75.05645	0.2
78.04702	2.0
79.05485	0.7
80.05005	0.3
81.03415	3.4
81.07027	0.4
82.06573	0.5
84.04485	1.0
84.08140	2.6
85.02903	6.1
86.03206	0.3
86.06031	0.2
86.09698	1.1
87.00829	2.7
91.05466	0.6
93.07037	0.6
95.04978	0.8
97.02897	3.2
98.06054	0.3
99.04462	1.4
102.05460	0.3
105.01860	1.7
105.03400	0.7
106.04173	0.9
107.04932	0.7
107.08594	0.2
108.04494	1.5
109.02893	3.1
109.06528	0.3
110.07144	0.8
111.04424	0.3
112.07609	0.3
116.07071	0.7
117.01858	0.3
119.04916	0.3
120.08101	0.7
121.02840	0.9
121.06547	0.3
123.04417	5.1
124.05237	1.8
124.07592	1.0
126.05511	1.2
127.03912	3.9
128.07091	3.4
129.01866	0.3
129.10229	0.7
130.08650	0.4
131.08588	0.3
133.10170	0.3
134.03584	0.3
135.04395	0.3
136.07509	0.4
137.05978	0.4
138.98503	0.3
140.04613	0.3
140.07086	0.4
144.06630	0.2
144.10262	0.4
145.04938	1.3
147.04425	0.6
151.03906	1.4
152.04681	1.8
152.07111	0.3
153.01868	0.3
154.04961	1.0
154.08572	0.4
155.07014	0.5
159.02921	1.1
159.38846	0.2
160.07603	0.3
164.07092	0.3
167.07036	100.0
168.07428	2.8
172.92329	0.3
177.05377	0.3
184.99034	0.3
199.78079	0.2
230.06595	0.4
231.05057	0.4
232.09766	0.3
242.05203	0.3
243.06540	0.3
248.07655	0.9
261.12527	0.3
265.13535	0.3
271.02640	0.4
287.05582	2.4
288.05844	6.3
288.08853	0.3
290.14786	0.3
363.06830	0.3
432.22437	0.3
450.19431	0.6
450.26801	0.4
451.17661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55218	0.1
53.03932	0.2
55.01876	0.2
55.05480	0.3
57.03419	0.3
67.05482	0.6
69.03429	1.0
69.07056	0.3
70.06563	0.7
71.30342	0.3
72.08133	0.4
73.02913	0.2
78.53190	0.2
79.05470	0.3
81.03415	0.9
81.07055	0.8
83.04951	0.3
84.04456	0.2
84.08125	0.3
85.02909	0.9
86.09673	0.3
91.05440	0.6
93.07013	0.5
95.04943	0.3
95.08567	0.6
96.08900	0.2
97.02901	0.8
97.06505	0.2
105.06989	0.5
107.04920	0.2
107.08573	0.7
109.02858	0.5
109.06472	0.2
109.10131	0.6
111.04484	0.2
119.08539	0.3
121.10126	0.2
125.09731	0.2
127.03876	0.4
131.08487	0.2
135.11650	0.3
136.06158	0.6
137.05994	0.2
145.10104	0.3
146.06003	0.2
149.13243	0.2
159.11620	0.2
167.06995	0.2
167.10736	0.2
167.14244	0.2
213.16112	0.2
215.07033	0.2
216.06503	1.1
217.07297	0.5
227.05798	0.4
228.06406	0.2
230.04449	1.8
244.06015	0.3
245.06828	2.0
256.06122	0.8
258.03986	8.1
271.04559	0.2
272.05466	0.4
273.06299	48.9
274.06677	1.2
288.08643	100.0
289.08987	2.0
295.13461	0.2
304.08112	0.3
387.62061	0.2
450.13934	12.7
451.14117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
71.18126	0.1
71.18441	0.1
76.08498	0.1
85.02869	0.1
95.22388	0.1
107.91278	0.1
116.92785	0.1
133.06500	0.1
141.07524	0.1
153.01846	0.4
154.02162	0.1
154.10977	0.1
161.05899	0.2
166.22580	0.1
199.06195	0.2
202.04892	0.1
214.08528	0.2
216.06577	0.8
217.07286	0.4
227.05688	0.2
228.06520	0.4
230.04422	1.0
231.05177	0.2
232.09698	0.4
238.04855	0.1
240.06531	0.1
242.08142	0.6
244.05952	0.3
245.06828	2.5
249.06122	0.1
256.06198	0.1
260.09177	0.2
265.50903	0.1
270.07440	0.4
271.08212	0.1
273.06305	26.0
274.06586	0.8
287.09021	0.1
288.08649	100.0
289.05786	0.1
289.08994	2.7
450.13934	2.1
450.19876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84954	0.1
52.93458	0.1
69.03398	0.3
70.10397	0.1
70.44350	0.5
81.03387	0.1
81.07045	0.2
85.02852	0.5
93.07000	0.2
95.08588	0.2
97.02859	0.3
104.10658	0.2
109.02832	0.1
127.03876	0.4
133.24393	0.1
145.04898	0.1
159.02805	0.2
184.03806	0.1
188.07025	0.2
189.46098	0.1
199.06346	0.2
202.04948	0.2
216.06514	1.9
217.07294	0.6
227.05794	0.3
230.04495	2.6
242.08098	0.4
244.06055	0.7
245.06841	3.5
258.03998	0.1
272.05618	0.2
273.06302	92.2
274.06604	1.8
279.78644	0.1
288.08655	100.0
289.08969	2.3
405.68842	0.1
450.13931	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	450.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
68.24778	0.1
69.03384	0.3
69.07023	0.1
69.60536	0.7
70.06566	0.3
72.08118	0.3
76.65059	0.1
77.58890	0.1
81.03385	0.2
81.07014	0.3
84.08143	0.1
85.02885	0.5
86.09657	0.4
89.91368	0.1
89.94822	0.1
91.05466	0.2
93.07001	0.1
95.04936	0.3
97.02859	0.1
105.03375	0.2
105.06996	0.2
120.08081	0.5
121.02828	0.2
128.81831	0.1
131.08450	0.1
149.09651	0.1
153.01801	0.2
160.80800	0.1
163.03773	0.1
166.08615	0.1
202.04973	0.2
216.45692	0.1
227.05827	0.2
228.06616	0.3
228.15923	0.2
230.04483	5.0
233.24677	0.1
242.08133	0.6
244.06061	0.9
245.06706	0.6
255.05240	0.4
256.06174	0.2
258.03970	19.2
259.04321	0.4
270.07614	0.3
272.05472	0.5
273.06296	84.7
274.06610	1.7
287.05344	1.1
288.08643	100.0
289.05777	0.2
289.08990	2.4
450.13937	27.9
451.14258	1.0
464.66449	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	449.267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.5
57.03432	21.8
57.07080	16.8
59.04983	6.3
63.56201	1.5
67.05508	17.2
69.07071	10.6
70.34019	3.6
71.08640	9.4
71.41072	1.3
79.05471	5.1
81.07057	26.0
83.08601	7.3
85.06520	5.6
85.10146	4.3
91.05474	9.0
93.06487	3.0
93.07042	38.5
95.04960	2.2
95.08167	1.3
95.08616	15.4
97.06505	3.0
97.10197	2.4
98.98473	25.9
105.07022	6.7
107.08604	7.5
109.10158	9.1
113.00028	19.0
117.06968	2.0
119.08569	9.0
121.10149	3.1
123.11726	3.8
129.07005	2.6
131.01076	2.1
131.08536	1.7
133.10120	3.9
135.11670	7.9
137.00005	22.3
137.13255	3.1
144.59445	1.6
147.04370	2.1
155.01045	28.2
159.04425	2.0
161.13295	9.9
166.07707	1.6
167.08624	2.3
169.02669	6.3
169.06525	2.1
169.10120	1.8
171.11690	2.4
175.03903	6.9
179.08575	1.6
183.04390	3.3
185.09570	1.9
187.03824	5.2
189.09084	3.7
191.03407	6.1
193.02557	6.0
197.05978	1.7
197.09654	3.8
199.03857	6.9
199.07495	2.2
199.11360	1.9
201.05463	5.4
201.09058	1.9
203.10695	2.5
210.06828	2.3
211.03778	9.7
211.07535	4.9
213.09111	4.7
215.10631	1.9
223.07475	3.0
224.08327	2.4
225.09088	12.6
225.12729	1.7
227.10687	3.3
229.08566	6.2
229.12218	2.4
235.07428	1.9
239.10617	4.1
240.11429	1.7
241.08656	8.5
243.10178	8.2
253.08597	19.1
253.12329	3.1
255.11163	1.7
255.13676	11.6
257.11505	2.7
265.08536	2.1
267.13852	4.1
269.15314	8.8
273.14932	8.4
280.10895	6.0
287.05444	5.9
287.16284	3.7
295.13242	14.0
297.14944	2.6
299.16183	2.3
307.17004	2.0
311.16129	2.5
313.14331	66.2
313.27307	18.8
315.15686	1.7
335.20053	2.4
337.27414	21.9
338.27835	2.3
341.17480	2.8
377.24835	1.8
379.18912	2.2
403.26212	2.6
421.27280	10.4
449.26761	100.0
450.26904	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1442
Annotation	Isosakuranetin 5-O-glucoside
Peak:m/z	Relative Intensity
51.09052	0.5
51.89794	0.5
53.03943	0.7
55.01876	0.6
57.03431	2.1
61.02934	0.6
64.55415	0.5
64.90237	0.4
65.03951	0.6
67.01852	1.5
67.05499	1.3
67.12843	0.5
68.99798	1.6
69.03430	1.7
69.07067	0.8
69.49742	2.1
69.50146	1.2
79.05494	1.8
81.03416	2.3
81.07066	1.4
85.02898	4.7
91.05485	1.3
93.07051	1.7
95.04973	2.0
95.08612	1.5
97.02893	1.7
97.06512	0.5
97.58967	0.5
103.05484	1.4
105.07018	2.5
107.04934	0.5
107.08614	1.1
109.02892	1.8
109.06510	1.1
109.10159	1.2
111.04411	0.9
117.07069	0.7
118.04116	1.2
119.04907	0.5
119.08591	1.4
121.02855	3.2
121.06482	2.7
121.10157	1.1
123.04446	1.7
123.11697	0.5
123.43004	0.4
127.03956	1.2
131.08543	0.8
133.06488	14.3
133.07451	0.9
133.10138	1.0
135.04407	1.1
135.08075	2.7
137.05975	2.9
145.10185	0.7
147.11703	0.9
149.02370	0.6
149.13202	0.5
151.03911	1.3
153.01830	78.1
157.08022	0.5
159.11699	0.7
161.05984	42.2
162.06400	0.5
163.03911	1.4
165.01852	7.2
165.06967	0.5
171.02890	4.0
171.11760	0.7
175.04057	0.5
177.01855	2.9
179.03438	1.6
183.02887	4.1
187.03998	0.6
189.01814	1.3
191.03427	4.7
195.02896	18.7
199.14812	0.5
203.03474	0.7
203.07130	0.7
205.04971	1.1
207.02766	0.6
209.04434	0.6
215.03445	0.6
219.02881	9.0
231.02876	4.6
233.04346	0.8
243.02917	0.9
249.04007	3.2
261.03925	3.8
269.08206	0.5
269.17377	0.7
273.06259	2.3
279.04919	2.8
287.09131	100.0
288.08774	7.8
297.05994	1.9
299.09103	6.0
311.09103	2.3
329.10385	2.5
353.10178	3.9
365.10004	2.5
377.09964	1.0
383.11288	0.9
393.66559	0.5
395.11374	1.5
413.12305	1.5
431.13290	0.7
449.14978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Datiscanin
Peak:m/z	Relative Intensity
53.00328	1.2
55.01867	1.9
56.05026	1.6
57.03434	2.2
59.06120	3.1
67.05476	1.4
68.99786	2.4
69.03415	5.2
69.07061	2.7
69.44581	4.9
69.45004	4.8
70.06598	14.1
71.04997	1.6
72.08138	5.8
72.46588	1.4
73.02899	1.8
79.01791	1.2
79.05464	1.7
81.03418	2.6
81.07030	2.0
83.01330	4.3
83.04966	2.2
84.04491	2.3
84.08134	4.9
85.02932	6.5
85.06568	2.0
86.09714	9.6
91.05468	1.4
95.04978	1.4
95.08595	1.4
97.02860	2.8
98.21538	2.3
99.04455	1.6
105.03379	2.6
105.07000	1.6
107.04945	2.3
107.08593	1.2
109.02852	4.7
113.06010	1.4
119.04919	4.4
120.08104	2.5
121.02003	2.4
121.02872	43.0
123.04401	2.1
125.02367	1.2
125.05984	4.7
127.03904	3.8
129.10225	2.3
137.02364	2.3
138.09155	1.4
144.06578	1.6
147.04352	2.2
153.01808	6.1
154.05040	1.6
162.09175	1.4
165.01797	4.6
168.00510	2.8
169.01376	2.4
169.38165	1.4
175.03882	2.8
179.03429	1.8
181.01369	11.7
183.02972	7.0
186.01596	2.8
195.02882	1.6
197.91061	1.5
199.02377	9.1
200.03099	1.7
201.11200	2.8
207.02847	1.9
211.02402	5.9
213.05460	1.4
217.05042	1.4
221.04431	3.0
239.89638	1.5
241.04979	2.5
255.06609	2.3
259.02502	1.6
269.04422	2.8
271.06030	2.1
277.03473	3.0
283.05963	5.6
286.04749	21.8
287.05496	100.0
288.05835	3.5
295.05893	1.7
297.03830	4.7
297.07205	2.5
299.05502	83.5
300.06116	13.2
307.06030	1.5
311.05447	10.1
313.07071	3.0
321.07513	2.8
324.05911	1.5
325.06992	10.2
329.06549	82.9
330.06976	2.2
339.08658	7.5
349.07025	2.4
353.06537	29.8
363.09671	1.6
365.06412	7.7
367.07925	3.3
377.06473	5.8
383.07642	21.9
395.07639	15.6
405.11157	2.7
413.08676	25.5
414.08640	1.9
431.09698	23.1
432.09979	1.6
449.10828	31.8
449.19571	1.6
462.79581	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03952	0.1
55.01861	0.1
62.68071	0.1
68.99784	0.7
69.03413	0.2
69.61839	0.7
70.06575	0.2
79.05491	0.2
81.03409	0.2
85.02895	0.2
86.09725	0.1
95.04980	0.1
97.02866	0.1
98.21507	0.2
105.03403	0.7
107.04933	0.5
109.02851	0.3
111.00793	0.9
121.02003	0.2
121.02869	3.6
123.04412	0.1
127.03928	0.2
133.02843	0.8
135.04422	0.2
137.02344	1.0
141.07021	0.2
145.06494	0.3
147.04399	0.8
153.01831	5.3
157.06506	0.5
161.05945	0.2
165.01834	2.4
171.04469	0.3
183.02884	1.1
185.05923	0.5
189.05499	0.2
197.05954	0.2
203.07014	0.2
213.05460	1.8
217.04977	0.2
229.04930	0.2
231.06488	0.8
232.03493	0.1
241.04903	0.9
243.06352	0.2
258.05240	1.7
259.03479	0.1
259.05951	0.6
263.05707	0.1
269.04373	0.3
271.09378	0.1
287.05487	100.0
288.05826	3.5
338.43176	0.1
406.22354	0.1
449.10782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.21761	0.1
51.22978	0.1
53.03941	0.4
55.01860	0.5
57.03445	0.8
61.02932	1.2
68.99777	0.6
69.03086	0.2
69.03432	2.9
70.06599	0.2
70.08571	0.2
70.08965	0.3
71.04979	0.4
73.02906	0.4
79.05485	0.2
81.03416	1.8
83.01328	0.2
85.02903	9.3
86.44228	0.1
87.04473	0.5
91.03959	0.6
95.04959	0.1
95.08588	0.1
97.02296	0.3
97.02890	3.0
99.04450	0.5
104.22765	0.2
105.03400	0.3
107.04936	0.4
109.02874	1.0
111.00805	0.7
121.02860	2.6
127.03899	1.7
133.02837	0.5
137.02324	0.9
141.07019	0.1
145.04948	1.4
145.06496	0.3
147.04451	0.6
148.46402	0.2
153.01836	4.1
157.06480	0.5
161.05934	0.1
165.01830	2.0
171.04326	0.3
175.04034	0.1
183.02879	0.8
185.06006	0.4
189.05466	0.2
197.05930	0.2
213.05484	1.4
229.04901	0.2
231.06561	0.8
232.56453	0.1
241.04916	0.5
258.05228	1.2
259.05923	0.4
265.62830	0.1
269.04382	0.1
287.05487	100.0
288.05829	3.9
329.06525	0.3
353.06473	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03947	0.5
55.01867	0.6
57.03438	1.0
59.04989	0.2
59.50775	0.1
61.02926	1.5
65.03948	0.2
67.01861	0.2
68.99786	1.1
69.03429	3.4
69.07072	0.1
69.51961	0.4
70.06584	0.1
71.01353	0.1
71.04999	0.5
72.08173	0.1
72.79704	0.1
73.02917	0.5
79.05482	0.3
79.96999	0.1
81.03416	2.1
81.06543	0.1
81.07062	0.1
83.01328	0.2
85.02904	10.2
86.03250	0.1
86.09700	0.1
87.04457	0.4
91.03963	0.5
91.05472	0.1
93.07045	0.1
95.04973	0.2
97.02890	3.3
99.04466	0.6
103.05473	0.1
105.03381	0.5
107.04959	0.6
107.08578	0.1
109.02876	1.3
109.06557	0.1
111.00802	1.0
111.04451	0.2
115.05455	0.1
119.04901	0.1
119.08562	0.1
120.08110	0.1
121.02864	4.0
121.06493	0.1
123.04429	0.1
127.03914	1.8
127.04817	0.1
129.06989	0.2
130.06491	0.2
131.08559	0.1
132.04417	0.1
133.02855	0.6
134.03593	0.1
135.04372	0.3
137.02345	1.2
137.03305	0.1
141.06990	0.2
145.04959	1.5
145.06464	0.2
147.04408	0.7
149.02304	0.1
151.03885	0.1
153.01823	5.7
154.02202	0.1
157.06483	0.6
157.07661	0.1
161.05975	0.3
165.01836	2.4
169.06496	0.1
171.02992	0.1
171.04442	0.3
175.03987	0.1
183.02895	1.1
185.05936	0.7
189.05466	0.2
194.02087	0.1
197.06015	0.2
199.03836	0.1
201.05547	0.1
203.03381	0.1
203.07068	0.2
213.05464	2.2
216.04146	0.1
217.04956	0.1
229.04964	0.2
231.06494	0.8
241.04929	1.0
242.05640	0.1
243.06438	0.1
245.04422	0.2
257.04498	0.1
258.05267	1.6
259.06015	0.6
263.05362	0.1
269.04388	0.1
270.05252	0.1
286.04431	0.1
287.05487	100.0
288.05820	3.3
299.05530	0.4
300.06168	0.1
311.05826	0.1
325.06891	0.1
329.06500	0.4
353.06555	0.2
395.07480	0.1
410.71915	0.1
413.08987	0.1
431.09738	0.1
449.10416	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	449.1078
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
50.20813	0.1
55.05501	0.1
67.01858	0.6
68.99463	0.1
68.99785	0.4
69.03426	0.2
70.06596	0.4
70.22160	0.3
71.04969	0.1
71.10458	0.1
72.08166	0.1
79.01873	0.1
79.05482	0.2
79.14096	0.1
81.03421	0.3
81.07056	0.3
84.08146	0.1
85.02908	0.3
86.09728	0.2
87.50511	0.1
89.03931	0.2
91.05464	0.1
93.07029	0.2
95.04955	0.1
95.08603	0.1
97.02882	0.2
97.06550	0.2
105.07028	0.1
107.04953	0.3
107.08636	0.1
109.02889	0.2
109.10160	0.1
111.00845	0.1
117.03410	0.2
119.08559	0.1
120.08044	0.1
124.07578	0.1
125.09648	0.1
127.03870	0.2
129.01813	0.2
135.04417	1.7
136.07590	0.1
137.02371	0.5
145.10110	0.1
147.04364	0.1
149.02280	0.1
151.03850	0.2
153.01830	5.4
161.02402	0.5
163.03836	0.1
171.02895	0.5
179.03401	0.3
183.13683	0.1
184.06020	0.2
185.06041	0.2
194.98744	0.1
201.08971	0.1
203.03409	0.2
213.05444	0.1
219.06493	0.2
231.06548	0.1
241.04926	0.5
245.04500	0.2
263.05701	0.1
269.04407	0.5
269.11847	0.1
270.05051	0.1
287.05496	100.0
288.05832	4.1
288.08463	0.2
299.05554	0.1
449.10156	0.5
449.28818	0.1
460.64084	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	448.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.6
51.02374	0.9
53.03946	6.1
55.01864	1.4
55.05519	0.7
57.03436	1.5
60.04531	0.5
65.03937	1.4
67.05500	1.1
69.03429	8.3
70.06578	3.4
70.77847	1.6
71.04988	1.9
72.08143	1.4
77.03917	1.3
79.05490	4.5
80.05845	0.5
81.03419	17.6
81.07066	1.3
83.04967	0.8
84.04509	1.3
84.08135	1.6
85.02429	0.9
85.02904	8.8
86.09702	2.8
87.00845	0.8
87.10045	0.6
91.05486	9.3
93.03400	0.9
93.07047	1.6
95.04967	12.0
95.08591	1.4
96.04533	0.5
97.02891	11.2
99.04451	3.1
101.05971	0.6
105.03391	100.0
105.07029	0.8
106.03730	1.0
107.04955	9.1
107.08556	0.7
109.02876	8.7
109.06488	0.8
110.06022	1.0
110.07124	0.6
111.04428	1.1
116.07059	0.8
118.06519	0.8
119.04939	13.5
119.08570	0.7
120.04451	7.2
120.08117	1.0
121.02900	0.9
121.06519	2.6
121.10140	1.5
122.10535	0.8
123.04425	29.4
123.08091	0.7
125.04718	3.0
127.03925	8.1
129.10277	0.8
130.06560	1.4
131.04961	0.6
133.06508	0.6
134.05994	0.7
135.06822	1.3
136.07576	47.3
137.06035	0.6
137.09573	0.7
138.05463	0.6
140.10727	0.6
145.04951	2.5
146.06009	1.0
147.04416	12.3
148.03912	1.3
148.07620	0.8
153.55240	0.5
154.08516	0.7
157.07620	1.7
159.02855	0.5
160.07590	1.3
162.09244	0.6
163.11165	2.0
164.11525	1.8
165.05475	44.4
166.04979	13.1
178.08665	3.2
181.10472	0.5
181.12181	2.6
182.08127	60.7
182.12521	3.4
188.03741	4.0
199.13272	2.6
200.08945	0.5
200.13713	2.5
201.05550	0.7
207.06525	1.0
220.09869	0.7
224.09102	4.1
226.08795	0.7
241.05150	0.8
244.09886	0.8
249.05067	1.0
249.07591	16.1
249.10037	1.0
257.04822	0.5
258.05090	0.6
258.07648	1.0
267.08603	3.0
268.10797	2.9
272.06589	0.6
272.09259	2.0
286.04443	1.3
286.07297	0.7
286.11862	1.0
287.05493	15.2
290.10342	2.3
299.05481	3.1
325.07037	0.9
327.10623	0.6
329.06656	2.5
353.06628	0.9
379.02380	0.5
394.12991	1.5
412.14249	2.6
430.15015	2.1
448.20938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.5
51.02377	1.0
53.03939	2.2
55.01874	1.1
55.05507	0.6
56.05035	1.6
56.96561	0.7
56.98746	0.5
57.03433	1.4
60.04515	0.8
61.02922	0.7
68.05022	0.9
69.03429	11.0
69.84982	1.5
69.85390	0.8
70.06596	5.9
71.01331	0.7
71.04990	1.5
72.08152	4.6
73.02930	1.4
73.08482	0.6
74.06075	2.4
75.26960	0.5
78.03024	1.0
78.03456	12.5
79.05484	0.6
80.05027	2.0
81.03419	18.8
83.06119	0.6
84.04513	3.4
84.08154	5.2
85.02909	12.3
86.06033	0.5
86.09701	5.3
88.03998	0.8
89.57333	0.5
91.05801	0.8
93.07049	0.8
95.06129	0.5
96.04494	6.1
97.02891	5.9
98.21512	0.6
98.97603	1.5
99.04449	3.8
104.07108	0.5
105.03332	0.9
106.02914	70.7
106.21685	0.5
107.03282	0.8
109.02877	12.7
110.07187	1.2
112.07620	0.6
116.07092	0.7
116.98625	1.0
119.04961	0.7
119.06085	0.5
120.08093	4.5
121.02870	0.5
124.03952	100.0
125.04266	0.9
126.05499	0.8
127.03910	9.8
129.10223	2.5
130.04994	1.0
141.49733	0.5
143.84909	0.5
145.04961	1.2
147.04416	0.8
147.07655	0.6
150.05482	1.0
166.05003	1.9
166.08646	1.8
177.00603	0.8
182.04515	0.7
217.99323	0.5
225.07803	0.6
230.11363	0.6
231.09674	0.5
232.06053	6.7
237.02779	1.5
250.07104	23.3
259.12109	0.8
268.08170	59.2
269.08383	1.6
286.16464	0.6
287.05515	4.3
343.19254	0.5
448.14279	13.5
449.14542	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.3
57.07062	7.7
67.05504	13.4
69.03420	6.5
69.07079	10.2
70.06585	2.8
71.04979	2.3
71.53495	2.3
71.53868	2.6
72.96461	2.0
78.06898	2.4
79.05494	14.9
81.03392	5.0
81.07066	26.9
83.04977	7.2
83.08616	4.0
83.29214	2.1
85.38728	1.9
89.19341	2.3
91.05465	18.2
93.07044	19.7
95.04962	7.7
95.08620	18.3
95.09143	3.0
97.06521	8.8
97.10182	2.3
105.07032	30.9
107.08597	21.0
109.06518	7.3
109.10176	11.0
111.08071	3.5
117.07004	7.4
119.08585	25.4
120.04456	13.7
121.06491	6.4
121.10132	9.6
123.08086	5.4
123.11728	6.0
128.06200	3.9
129.06981	7.0
130.06528	3.3
131.08559	23.8
133.06529	3.8
133.10147	24.0
135.08051	5.3
135.11676	11.4
137.09627	4.7
141.06993	6.5
142.07785	4.8
143.08551	16.3
144.08051	3.8
145.10133	30.1
146.10896	3.3
147.08018	4.7
147.11684	35.6
149.02353	3.7
149.09605	5.6
149.13260	2.9
151.11189	7.6
155.08543	9.6
156.09282	4.1
157.10112	18.3
158.06015	4.7
158.09631	9.3
159.08022	4.5
159.11650	15.6
160.07536	2.6
160.35847	2.0
161.09599	6.8
161.13272	8.4
163.11234	7.1
166.07776	2.2
167.08553	3.8
168.09332	2.7
169.10143	16.5
170.09644	5.1
171.11755	12.5
173.04382	2.3
173.09607	2.5
173.13330	10.3
174.05568	2.6
175.11191	3.7
179.08539	4.6
181.08656	2.2
181.10156	7.7
181.12048	2.7
182.09509	4.2
182.11012	2.2
183.06848	4.5
183.11719	12.9
184.07550	3.6
184.11179	2.6
185.09668	2.3
185.13257	13.4
187.11101	3.2
187.14818	6.0
188.07057	3.6
189.12733	11.5
192.09377	3.8
193.10159	6.8
194.09572	3.4
195.11697	12.5
196.07495	3.8
196.11064	2.4
197.08331	4.4
197.13284	10.4
198.09116	14.5
199.11234	5.3
199.14847	8.6
200.10754	4.6
201.12752	5.1
201.16420	3.8
203.14352	2.3
203.17966	2.8
205.10147	3.3
207.11646	6.7
209.13261	6.9
211.14842	8.6
212.10696	10.0
213.12706	3.2
213.16377	4.5
215.14392	6.6
217.12280	4.0
219.11681	5.0
219.13753	2.8
221.13287	5.1
223.14821	8.0
224.10728	4.6
225.12906	2.7
225.16354	6.3
226.16014	2.5
231.13718	5.2
233.13239	3.2
233.15430	3.1
235.14940	4.5
236.14320	4.1
237.16325	5.3
239.14238	2.7
239.17917	13.0
241.15945	3.7
241.19576	5.1
247.14845	3.6
249.16515	5.3
253.15825	2.3
254.15332	16.5
257.15509	3.0
257.18958	4.9
264.13730	3.1
265.16003	2.7
265.19495	9.8
267.17365	3.8
281.18954	3.8
282.14883	39.7
283.20374	4.7
289.09680	5.8
291.17517	2.9
299.16388	3.8
307.20615	6.7
309.18686	4.2
309.22092	18.9
311.20062	5.7
325.21652	28.2
327.14944	3.6
327.19357	4.7
333.22293	3.5
343.18857	3.2
343.22687	29.8
351.23260	6.0
359.18314	3.0
361.02802	3.0
369.24124	15.3
375.23199	2.8
387.25320	100.0
388.25769	3.7
397.19061	4.2
411.25418	3.8
415.20236	12.2
419.29279	3.7
429.22186	3.9
429.27432	6.0
447.19272	25.9
447.29019	32.5
448.29175	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94666	2.4
55.01872	5.7
55.05512	33.2
57.03436	43.8
57.07058	10.4
67.05178	4.2
67.05505	51.4
68.05819	3.5
69.07066	31.4
69.20078	6.4
69.20480	24.7
71.08622	6.0
79.05491	23.5
80.62334	2.7
81.07050	53.5
83.08627	20.7
85.06511	2.9
91.05460	13.1
93.07043	28.1
95.08606	41.4
97.10160	11.5
98.21490	4.8
98.98466	37.1
105.07027	9.4
107.08605	26.8
109.10156	18.8
111.11744	4.3
113.00014	100.0
116.25946	2.7
119.08561	8.8
121.10132	18.6
123.11702	10.5
131.08533	6.7
133.10120	9.2
135.11690	12.2
136.99985	37.6
137.13217	4.1
145.10130	3.9
147.11664	4.6
149.13264	9.0
155.01050	24.7
159.11664	6.8
161.13271	4.7
163.14861	3.3
169.02591	16.4
173.13184	4.9
187.03711	10.5
187.14780	2.9
193.02675	5.9
201.16270	3.1
203.87309	3.1
211.03648	4.5
237.22142	8.0
243.20940	7.5
261.22043	19.3
293.24805	2.8
308.92844	3.3
311.25729	27.7
317.24814	3.1
335.25815	87.6
336.26169	4.7
347.09686	3.3
447.25046	42.9
448.25220	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	447.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.05508	7.6
57.03423	1.5
57.07075	1.2
58.06594	0.7
62.79244	0.8
65.03944	1.1
66.81203	0.9
67.05503	9.6
69.03410	1.7
69.07053	4.8
70.06564	1.7
70.56718	1.5
71.04975	1.2
75.32600	0.7
79.05491	9.5
81.03419	6.5
81.07046	9.7
81.43097	0.7
83.04977	3.0
83.08617	3.4
85.02930	0.8
91.05447	8.5
93.07038	8.3
95.04951	7.5
95.08606	6.0
97.06530	1.5
97.10145	2.4
105.07036	6.9
107.04931	3.5
107.08578	5.9
109.06495	1.6
109.10149	4.5
117.07021	3.0
118.06529	1.8
119.08602	5.4
120.04438	3.5
121.06493	2.8
121.10146	3.1
123.08080	1.9
123.11702	1.1
124.04236	0.7
125.09626	1.6
127.03853	0.8
128.06256	0.9
129.06999	3.1
130.06528	10.4
131.04962	1.0
131.08559	3.9
132.04474	6.6
133.06456	0.9
133.10112	3.6
133.11006	0.7
135.08000	1.9
135.11710	5.4
135.37067	0.8
141.06871	1.0
142.07770	0.9
143.07257	1.1
143.08501	1.9
144.08028	1.3
145.06511	2.3
145.10107	3.7
146.06017	4.8
147.08026	1.3
147.11665	1.3
149.02361	1.1
149.09636	1.6
149.13202	1.1
157.06496	1.0
157.08871	1.6
157.10092	2.9
158.06010	32.5
158.09627	1.7
159.06670	1.0
159.11710	2.7
160.07590	0.9
161.06046	1.0
161.09593	1.2
163.11159	2.6
164.04228	0.8
167.07300	3.1
169.10071	1.5
170.05959	1.1
171.07988	1.2
171.11757	1.3
172.07561	2.7
172.11183	5.0
173.09563	0.9
173.13211	1.7
182.09631	11.0
183.11563	0.9
184.07568	1.6
185.13264	2.4
187.11186	1.9
187.14848	1.0
189.11270	1.1
193.12216	3.2
197.13437	1.0
198.09105	2.0
200.10699	100.0
201.10896	1.8
203.14343	1.2
209.13179	0.8
212.10880	1.1
227.12770	1.1
231.06705	0.9
240.10178	2.3
264.13840	1.5
285.07513	4.9
309.12305	0.9
337.21674	2.4
347.13910	1.8
355.22662	4.1
373.23660	2.6
429.26340	2.4
429.33798	1.1
447.19467	1.3
447.20645	1.5
447.27374	15.4
464.52625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.05513	4.0
65.03912	0.7
67.05505	4.5
69.03419	1.3
69.07066	1.9
69.62090	0.6
70.06583	1.5
71.52431	0.6
79.05486	3.9
81.03416	3.1
81.07051	5.2
83.04979	1.1
83.08591	1.5
86.15276	0.7
91.05463	4.2
92.04964	1.3
93.07016	3.3
95.04960	2.4
95.08628	3.9
97.10178	0.9
105.07011	2.5
107.04909	1.1
107.08592	3.6
109.10139	2.5
116.07069	1.3
118.06529	1.7
119.08582	2.7
120.04456	8.3
121.10152	1.9
123.11649	0.8
129.06969	0.8
130.06529	10.7
131.08514	1.4
132.04448	6.0
133.10107	2.5
135.08147	0.8
135.11682	2.0
143.07349	1.3
143.08485	0.8
144.08063	1.5
145.06480	1.2
145.10124	2.6
146.06017	4.6
146.17049	0.8
147.11688	2.0
149.02315	1.5
149.13264	0.8
155.08594	0.9
156.08067	0.8
157.08867	2.3
157.10110	1.5
158.06018	28.6
158.09598	1.5
161.13281	0.8
163.11270	0.9
167.07297	2.7
170.06061	1.2
172.07567	2.4
172.11156	3.4
182.09654	9.9
184.07596	1.2
185.08356	1.2
189.16443	1.0
196.07590	1.5
198.09109	1.1
200.10710	100.0
201.10985	2.0
203.17912	1.2
210.82841	0.8
214.08578	0.8
233.08377	1.8
238.12231	2.3
242.05658	0.9
264.10199	1.4
264.13840	2.0
285.07587	5.3
288.10263	1.6
309.12222	1.8
309.46149	0.8
347.13773	4.3
386.09857	1.1
401.22241	1.0
429.21741	1.2
429.26581	1.0
447.16467	2.5
447.27444	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	447.1286
Annotation	Sissotrine
Peak:m/z	Relative Intensity
53.03923	0.2
55.01857	0.3
55.05497	0.8
57.03438	0.2
59.21638	0.2
67.05509	1.2
69.03413	0.7
69.07066	1.0
69.26146	2.0
70.06577	0.4
72.08163	0.3
79.05470	0.7
81.03395	0.5
81.07069	1.5
83.04973	0.3
83.08600	0.5
85.02885	0.5
85.06532	0.3
86.09700	0.3
91.05489	0.6
93.07040	1.0
95.04964	0.7
95.08616	1.5
97.02871	0.3
97.06511	0.2
98.21585	0.3
105.03401	0.6
105.07046	1.1
107.04953	0.4
107.08588	1.0
109.02913	0.3
109.06570	0.2
109.10185	1.2
111.04450	0.3
111.11672	0.2
117.07000	0.3
119.08576	0.9
121.02877	0.2
121.06488	0.4
121.10120	0.7
123.08098	0.2
123.11725	0.3
125.05972	0.2
125.09633	0.4
127.03939	0.4
129.06987	0.4
131.08545	0.4
133.06523	1.1
133.10141	0.8
134.06032	0.3
135.04416	0.4
135.08035	0.4
135.11682	0.5
137.05904	0.2
137.13187	0.3
139.03928	0.3
142.95479	0.2
143.08505	0.2
145.06462	0.4
145.10100	0.5
147.07927	0.2
147.11678	0.4
149.02325	0.5
149.09688	0.2
151.07538	0.4
151.11150	0.2
153.01833	1.1
153.09085	0.3
159.11723	0.4
161.13364	0.2
163.11180	0.3
169.10060	0.3
171.11600	0.3
173.13290	0.3
177.05490	0.3
181.04907	0.2
181.12225	0.3
187.14792	0.2
190.04764	0.2
193.08675	0.3
205.12392	0.2
211.14894	0.2
223.14870	0.2
242.05746	13.9
243.06093	0.7
257.15549	0.2
270.05246	10.3
271.05869	0.3
285.07578	100.0
286.07907	3.9
297.07816	0.3
303.12231	0.3
327.08762	0.4
349.86084	0.2
361.02652	0.3
411.28699	0.3
429.11722	0.2
447.12888	0.9
447.18866	0.3
447.27625	0.6
447.90192	0.2
448.12305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1284
Annotation	Cytisoside
Peak:m/z	Relative Intensity
53.03920	0.5
55.01853	1.2
57.03412	1.0
62.16611	0.5
68.99764	0.7
69.03400	1.3
69.07021	0.5
69.28010	1.4
69.28419	3.1
70.06565	1.4
77.35619	0.4
79.01847	2.9
79.05459	0.8
81.03381	1.9
81.07034	0.8
82.76704	0.4
85.02893	2.9
86.09675	0.9
89.32314	0.4
95.04942	1.3
97.02858	1.0
99.04417	0.8
105.03347	0.5
107.04991	0.5
109.02861	1.6
109.06483	0.8
121.02825	1.6
121.06469	0.9
125.06004	0.5
127.03859	0.6
130.06609	0.6
131.04852	0.6
132.78436	0.5
133.06490	6.0
134.07245	1.5
135.04407	25.2
136.04649	0.5
138.03088	1.0
141.01804	1.1
149.02304	1.1
153.01788	1.6
157.24245	0.5
157.54097	0.6
159.04375	3.1
161.05984	0.5
163.03891	1.0
165.01825	9.2
167.03366	1.5
170.69106	0.5
177.01772	1.0
177.05438	1.6
181.15939	0.9
183.02904	3.7
187.03879	1.3
189.05394	0.6
191.03369	1.2
195.02870	1.9
199.07495	0.8
201.05327	1.0
205.04919	0.9
211.07498	0.8
215.03438	0.6
217.04927	2.2
225.09026	1.1
227.07004	5.3
228.07845	0.5
231.04965	0.5
233.04337	1.1
239.06998	0.6
241.08551	1.2
242.09401	1.2
243.02872	1.8
252.07788	0.8
253.08699	0.8
254.05692	1.0
255.06462	1.3
256.07275	4.7
257.08115	1.3
261.03928	2.5
265.05188	0.7
266.05688	2.1
267.06522	0.7
268.07266	2.6
269.08078	6.7
270.05804	1.0
270.08813	8.0
271.09207	0.6
273.07571	0.5
276.07794	0.8
279.06625	0.5
280.07315	4.1
281.07977	2.6
282.05185	1.4
282.08887	0.5
284.06784	4.7
285.07547	6.9
293.08084	1.2
294.05212	1.6
294.08875	4.5
295.09409	2.5
296.06830	3.3
297.07562	91.5
298.08313	39.7
299.08890	2.3
307.09592	0.5
308.06766	2.9
309.07587	17.0
309.10974	0.8
310.08096	0.6
311.09097	18.5
312.06223	2.3
312.09500	1.0
319.09604	1.2
321.07483	1.5
322.08261	5.3
323.05551	0.9
323.09064	8.4
323.12866	0.6
324.06180	0.7
325.07172	2.9
325.10394	0.6
327.08612	100.0
328.09021	3.9
335.09164	1.6
336.06308	0.8
337.07077	1.7
337.10678	21.2
338.11038	0.8
339.08594	3.8
341.10168	1.8
347.09015	1.5
351.08621	27.1
352.08868	0.8
357.09750	6.0
363.08536	4.1
365.10162	5.1
369.09714	1.8
375.08502	4.5
381.09650	17.2
382.10220	0.8
383.11563	0.6
393.09708	13.8
394.10291	0.5
411.10745	30.2
412.11038	1.4
429.11798	42.0
430.12195	2.0
447.12842	59.6
448.13297	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	447.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01835	0.1
68.24543	0.0
68.99448	0.0
68.99780	0.1
69.03400	0.0
69.24796	0.2
70.06548	0.0
70.39110	0.0
71.48219	0.0
79.05470	0.0
81.03422	0.0
81.07047	0.0
85.02911	0.1
91.05401	0.0
93.07035	0.0
95.04939	0.0
95.08587	0.0
97.02856	0.0
100.11253	0.0
103.05431	0.0
105.03362	0.1
105.06986	0.1
106.03720	0.0
109.02815	0.0
111.00893	0.0
118.04080	0.1
121.10049	0.0
127.03870	0.1
129.01765	0.0
130.06480	0.0
133.06487	1.2
135.04419	0.2
153.01810	1.0
153.02824	0.0
159.04428	0.2
171.02954	0.1
177.05435	0.1
199.07445	0.0
201.05533	0.0
203.03065	0.0
217.08624	0.0
225.05371	0.1
232.84575	0.0
239.07123	0.1
241.04927	0.0
242.05714	15.4
243.06113	0.6
257.08115	0.1
261.07202	0.0
270.05209	11.9
271.05612	0.5
284.06750	0.0
285.07544	100.0
286.07889	3.9
286.11295	0.0
297.07474	0.1
447.12756	0.5
448.12790	0.0
465.49066	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	447.1283
Annotation	Glycitin
Peak:m/z	Relative Intensity
50.79797	0.1
55.05494	0.1
57.68440	0.1
62.29018	0.1
67.01855	0.1
67.05471	0.3
69.03422	0.2
69.07061	0.2
69.31557	0.5
69.31974	0.3
70.06553	0.2
71.04993	0.1
73.32346	0.1
76.24335	0.1
79.05496	0.2
81.03432	0.1
81.07026	0.2
83.04980	0.1
84.08127	0.1
85.02892	0.3
88.81618	0.1
91.05454	0.2
91.25922	0.1
93.07022	0.2
95.04945	0.2
95.08597	0.2
95.65459	0.1
105.06995	0.1
107.08551	0.1
109.02862	0.1
109.06506	0.1
111.04455	0.1
119.08499	0.1
121.10115	0.1
131.08586	0.1
133.06502	1.1
133.10129	0.1
135.04401	0.3
144.13826	0.1
145.10059	0.1
149.02382	0.1
153.01823	0.8
157.10091	0.1
159.04404	0.3
159.11780	0.1
167.06978	0.1
171.02843	0.2
175.03900	0.2
187.03920	0.2
189.09030	0.1
241.08430	0.2
242.05731	13.5
243.06131	0.5
257.08063	0.1
268.07474	0.1
270.05228	11.9
271.05545	0.4
285.07556	100.0
286.07904	3.5
297.07623	0.6
298.08575	0.2
327.08575	0.4
337.10736	0.1
351.08658	0.1
383.68475	0.1
411.10995	0.2
429.11755	0.2
447.12686	0.7
447.28369	0.1
447.34793	0.2
457.48160	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.0
57.03412	0.0
61.02912	0.0
65.39945	0.0
67.01837	0.1
68.99792	0.1
69.03388	0.1
69.03716	0.0
69.07039	0.0
70.06561	0.0
71.53590	0.0
79.05468	0.0
81.03389	0.0
81.07031	0.0
84.03593	0.0
85.02914	0.1
85.03297	0.0
85.06472	0.0
93.07070	0.0
95.04939	0.0
97.02866	0.1
103.05430	0.0
105.03369	0.1
105.06995	0.1
106.03650	0.0
107.08517	0.0
109.02882	0.0
109.06487	0.0
116.80058	0.0
118.04099	0.0
127.03882	0.0
129.01820	0.0
130.06471	0.0
133.06482	1.1
135.04414	0.2
135.11719	0.0
143.56758	0.0
153.01805	1.1
154.76791	0.0
159.04411	0.1
171.02905	0.2
177.05479	0.1
187.03912	0.0
187.07768	0.0
199.07393	0.0
201.05482	0.1
213.05464	0.0
217.08604	0.0
225.05377	0.0
239.07071	0.1
241.04942	0.0
241.08702	0.0
242.05708	15.2
243.06131	0.6
254.05811	0.0
257.04446	0.0
257.08170	0.1
261.07483	0.0
270.05203	12.0
271.05606	0.5
283.05862	0.0
284.06848	0.0
285.07538	100.0
286.07877	4.1
286.11218	0.0
297.07452	0.1
315.59201	0.0
327.08383	0.0
447.12665	0.4
447.17862	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	446.2608
Annotation	Asn-Leu-Leu-Ser
Peak:m/z	Relative Intensity
53.03932	0.5
55.05524	0.4
56.05025	0.4
60.04528	3.6
67.05519	0.5
69.03429	1.1
69.07070	3.3
70.02937	0.5
70.06618	2.2
70.67228	1.2
72.08158	2.0
74.02446	1.7
75.53094	0.4
81.03417	0.8
81.16052	0.4
84.04509	0.8
84.08145	1.2
85.02911	1.5
86.09708	100.0
87.05599	6.7
87.10052	1.3
88.03989	1.0
91.05810	0.5
97.02927	0.7
98.02439	0.4
98.06049	0.4
99.04485	0.5
107.08685	0.4
108.08158	0.4
109.02884	0.7
109.73744	0.4
110.07135	0.6
116.03447	0.6
119.08562	0.4
127.03909	0.9
128.07103	0.4
128.10732	1.3
129.10226	0.6
133.06090	21.1
138.09145	0.6
155.11780	1.1
162.09142	0.5
163.07581	0.7
173.12868	15.6
180.10201	1.1
181.08513	0.5
183.11301	4.1
198.11237	0.9
201.12347	9.8
229.11819	3.5
246.14499	18.1
247.14899	0.6
257.04446	1.0
257.10333	2.0
268.08319	0.4
278.57538	0.4
282.09872	1.4
284.09097	0.7
284.18686	0.4
287.05444	1.9
296.19675	10.4
314.20654	1.6
333.13940	0.5
333.17734	3.6
336.55798	0.4
338.10132	0.4
429.16809	0.4
429.23569	1.2
446.17688	1.4
446.26410	2.4
447.18115	0.5
473.29620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93162	0.5
55.01868	0.7
55.05513	2.9
60.78880	0.6
67.05486	2.5
69.03415	2.0
69.07059	1.2
70.13023	3.0
70.88155	0.8
79.05497	1.4
79.90845	0.6
81.03410	2.6
81.07060	3.3
85.02903	3.0
85.06537	1.4
87.00864	0.6
91.05476	2.1
92.05002	0.7
93.07029	2.1
95.08608	1.3
97.02884	1.4
103.05495	0.6
105.01853	0.9
105.03384	0.8
105.07027	2.2
107.08595	1.8
109.02857	1.0
109.10132	1.7
117.06989	1.2
118.06532	1.5
119.08585	1.3
120.04455	4.2
121.10175	1.3
127.03912	2.9
128.06248	0.9
129.07045	1.0
130.06532	9.1
131.04976	0.6
132.04465	7.1
133.10097	1.1
135.11702	0.6
143.07289	1.0
144.08081	2.1
145.04962	1.2
145.06415	0.7
146.06010	4.9
157.08856	2.4
158.06017	33.4
158.09641	2.5
159.06752	0.8
159.08051	2.0
159.11516	0.9
160.07593	1.0
163.14844	1.0
167.07336	4.0
170.05984	1.3
172.07593	2.7
172.11227	4.4
180.08020	0.8
182.06012	1.0
182.09651	10.9
184.07607	0.9
196.07590	5.1
197.08228	0.7
198.09094	1.1
200.07045	7.3
200.10706	100.0
201.11082	2.1
208.07536	1.9
210.09032	1.1
222.09142	0.9
229.12329	1.3
238.12326	1.2
252.13795	1.5
258.09100	1.8
264.13815	2.9
282.14844	1.2
285.07422	0.8
290.11722	1.3
302.11685	0.8
331.11972	0.6
346.14386	6.1
354.14804	0.9
360.15967	0.8
418.23615	1.3
428.22241	1.4
435.52551	0.7
446.23007	6.1
446.28247	0.9
447.26926	1.2
452.18143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
55.05508	7.0
55.08472	2.3
56.05033	13.0
58.06610	6.4
58.58588	2.4
60.04519	8.0
61.02935	4.1
66.92863	3.0
67.05509	13.2
69.03430	21.9
69.07055	4.0
70.06593	32.5
70.76688	7.8
71.04997	5.0
72.01025	2.7
72.08150	21.0
73.02918	4.7
73.04774	4.1
74.06081	16.3
79.05515	6.4
80.69417	3.1
81.03416	12.8
81.07040	15.7
82.06567	3.5
83.04980	6.8
84.04495	11.5
84.08143	19.1
85.02894	36.0
86.06056	8.8
86.09710	36.2
91.05411	3.5
91.05849	5.6
93.07037	12.2
94.06552	4.2
95.04974	8.4
95.08597	25.8
96.04485	2.9
96.08117	5.5
96.85696	3.0
97.02909	16.3
98.06042	6.7
98.97552	3.1
99.04434	3.8
105.03400	9.7
105.07036	4.8
107.08620	6.5
108.08111	8.7
109.02909	8.1
110.06048	8.0
110.07208	4.6
111.08067	3.4
112.07665	3.5
113.05984	4.8
114.05522	4.9
114.09137	3.0
115.03943	4.2
116.07093	4.2
117.06980	3.7
119.04919	3.0
119.08565	9.4
120.04439	4.4
120.08089	3.1
121.02885	9.0
121.06506	9.2
121.10159	7.9
122.06007	4.3
123.04424	7.4
123.08031	7.7
124.03934	4.1
124.07568	5.1
125.02335	4.1
125.71599	2.6
126.05558	5.6
127.03939	13.4
129.10246	7.1
131.08595	3.1
132.04472	8.6
133.10143	6.5
135.08041	5.4
136.03957	6.3
136.07613	6.0
136.11221	4.0
140.07040	3.5
143.08501	2.9
144.06599	6.5
145.04985	7.0
145.10136	7.2
147.11626	3.2
149.09615	4.5
152.10777	3.4
154.05023	3.5
154.08665	7.1
157.13403	3.1
158.05940	3.0
159.09164	6.4
159.11559	6.5
161.09398	3.4
166.08662	3.4
167.05560	4.1
167.06935	3.5
176.05838	6.6
180.06544	9.2
186.07610	5.9
191.08134	3.8
191.10741	3.5
193.12398	3.7
200.13950	3.5
204.08670	24.6
206.15427	3.9
207.06488	2.9
225.14836	3.4
228.13361	4.3
236.16452	8.6
248.16391	16.8
257.10339	100.0
261.09744	3.7
266.17529	42.0
282.09836	54.5
284.18546	27.5
286.09390	11.5
299.12372	3.8
360.02930	7.4
428.22769	20.4
445.75037	2.8
446.17667	74.7
446.23889	44.4
447.18018	4.9
447.23755	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	446.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
58.06590	1.0
59.00788	0.6
67.04250	1.6
67.05497	1.1
69.03429	1.2
69.07064	15.8
69.38009	3.4
69.38435	2.0
70.06596	1.4
71.04990	0.6
71.55981	0.5
72.08130	0.8
73.95319	0.5
79.05475	0.9
80.05034	0.7
81.03397	1.1
81.07088	0.8
82.06579	18.3
83.05012	0.9
84.08131	4.9
85.02900	1.4
86.09705	100.0
91.05457	1.5
93.07053	1.0
94.06572	1.8
95.05002	1.1
96.08118	2.6
97.02905	0.5
97.06535	1.2
100.07628	1.9
104.88667	0.7
105.03413	0.8
105.07011	1.0
107.08624	0.6
109.10118	1.0
110.06033	9.1
115.55065	0.6
119.04970	0.6
121.10187	0.8
122.06039	1.3
123.04427	1.0
123.64196	0.6
124.07584	2.3
127.03918	1.1
127.08691	5.2
128.10803	0.8
129.07013	1.6
131.04865	0.6
131.08540	0.8
133.10147	0.9
136.07587	4.7
136.11177	0.6
139.08659	6.7
142.07790	1.2
143.08629	0.7
144.05710	0.6
145.06474	0.9
145.10126	0.7
147.04318	0.8
150.12775	8.8
152.14343	0.9
153.07014	0.8
155.08554	2.0
157.06494	3.6
157.10104	0.7
158.07257	1.1
159.08020	0.8
165.05486	1.6
169.09779	0.7
171.08148	1.0
172.08829	16.2
173.09631	3.7
178.12251	5.2
181.12201	1.0
182.08133	2.7
183.08057	1.2
185.09669	4.2
187.07562	2.1
195.14925	31.6
199.13419	0.8
200.10680	8.1
202.12355	2.1
219.14954	1.9
223.14508	1.7
229.08621	5.7
231.10210	1.0
237.15988	18.1
246.11266	48.4
247.11552	1.2
247.14323	0.8
248.12749	1.1
265.15512	4.4
292.11816	7.4
295.16553	1.0
305.14914	1.2
333.14420	13.4
359.15253	1.0
359.19641	14.7
360.20084	0.8
400.22476	1.4
404.21887	4.3
405.20340	4.2
418.23260	2.4
428.22012	1.0
446.22903	28.8
447.23257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.05510	1.2
56.05028	0.5
57.07075	0.7
59.04998	0.3
60.34723	0.3
64.10744	0.4
65.03944	0.5
67.05512	3.6
68.05043	0.4
69.03433	1.0
69.07070	2.3
69.98530	0.4
70.06593	100.0
71.04981	0.4
72.08167	0.6
79.05502	1.2
81.03424	1.4
81.07069	1.4
84.04496	0.5
85.02911	1.2
85.06552	4.6
86.09726	1.5
91.05451	2.1
93.07055	0.5
95.04974	0.8
95.08614	0.8
97.02882	0.7
97.06537	0.6
99.04461	0.4
105.03408	1.3
105.07073	0.5
107.08638	0.7
108.08115	0.5
109.02921	0.8
109.04366	0.3
109.06548	1.1
109.10144	0.6
110.07170	0.4
112.07645	0.4
113.05997	4.5
114.05552	0.5
115.05417	0.4
116.07094	29.8
119.04987	0.8
119.08632	0.5
121.02898	0.6
121.06561	0.4
121.10149	0.9
124.07594	1.0
127.03951	0.9
129.07004	0.3
129.10214	0.6
131.04947	1.6
131.08533	0.4
133.06450	0.5
133.10132	0.4
135.04449	1.4
137.05986	13.2
138.09181	0.4
145.04974	0.6
145.06425	0.4
146.05968	0.4
147.04414	2.1
149.02406	0.5
149.06064	0.4
153.03578	0.3
155.07138	0.5
155.08670	0.3
159.04387	2.3
161.05930	0.6
163.03925	6.8
165.01837	0.5
167.05685	0.4
173.05984	0.6
175.03905	16.8
176.04340	0.5
177.05472	0.9
179.07036	0.5
181.04932	0.6
183.08180	0.4
187.03931	7.8
187.07578	0.9
189.05490	1.3
189.09126	0.9
195.08125	0.4
198.14923	1.7
199.03889	1.9
199.07559	0.6
201.05518	0.9
201.09099	0.4
203.03426	1.0
203.07114	0.8
213.05469	0.7
215.07069	0.6
217.05008	0.4
217.08594	1.8
223.07643	0.4
226.06239	2.5
227.07040	0.5
228.07895	0.6
229.08580	4.9
231.10123	0.7
235.09586	0.6
241.08592	7.3
243.10176	4.5
245.08087	0.5
245.95567	0.4
247.09692	3.3
249.11253	4.1
253.08595	0.7
255.10243	1.1
258.07742	0.7
259.09714	0.6
267.12317	3.7
269.11490	0.4
285.07645	0.5
295.13266	2.2
297.07504	3.1
298.08456	1.5
309.07516	0.8
311.09134	0.4
313.14322	5.9
327.08618	3.4
337.10742	0.8
351.08716	0.5
359.14987	0.8
375.34552	0.4
381.09930	0.4
411.10809	1.6
428.20740	0.8
429.11832	2.3
446.21738	27.9
447.13043	2.4
447.21985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
53.08072	0.4
56.05013	0.7
60.04495	0.6
67.58990	0.4
68.04977	0.4
68.28406	0.4
69.03403	0.6
70.06584	2.0
70.98225	0.9
70.98615	0.4
71.04974	0.4
72.08109	1.4
79.05482	0.5
81.03397	0.6
81.04502	0.5
81.06981	0.5
83.06061	0.8
84.04471	0.6
84.05585	0.5
84.08081	1.0
85.02857	1.1
86.09666	1.1
91.05802	0.7
92.04967	0.5
92.95636	0.4
95.04933	0.5
95.06053	0.6
97.02895	0.6
97.06425	0.6
100.02169	0.7
104.04954	0.5
105.03416	1.8
105.06945	0.5
105.28040	0.4
106.06525	0.7
109.02837	0.8
110.07191	0.5
115.05414	0.4
116.98536	0.4
117.05716	0.7
118.06526	1.1
119.06009	0.7
120.04498	2.3
120.08075	0.6
121.02831	1.5
122.05916	0.4
124.03905	1.2
125.29042	0.3
126.06600	0.5
127.03852	0.6
129.10229	0.6
130.02878	0.4
130.06464	0.7
132.04454	13.1
132.05420	0.6
132.08044	0.8
134.05928	0.6
137.04631	0.5
138.06615	0.5
144.05637	0.6
144.06796	3.8
145.03935	0.6
146.02612	0.6
146.05942	1.1
154.04930	0.4
157.07610	0.9
159.09190	6.0
164.07016	0.8
173.07094	0.5
173.12843	0.4
176.05804	6.3
185.07027	0.8
186.06612	0.9
190.07336	0.4
191.08163	4.1
201.06581	0.5
201.11351	0.6
206.04865	0.7
212.08195	0.9
214.09869	0.7
226.10927	0.6
228.07666	0.9
229.10834	2.8
230.09250	0.5
247.10794	2.4
249.12433	2.8
254.10361	4.8
257.10342	100.0
258.10675	1.9
261.09848	5.4
266.17484	0.4
282.09851	57.9
283.10226	1.5
284.09079	6.6
286.09332	10.3
293.11340	3.1
299.12482	4.7
300.10959	6.0
317.13550	0.9
404.15762	0.8
429.15530	0.5
446.17892	70.5
447.14594	0.4
447.18356	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	9.8
53.29247	1.5
55.01870	10.5
55.05492	1.8
56.04994	1.9
57.03430	8.7
60.04535	1.9
61.02909	6.0
62.85155	1.6
67.05489	4.8
68.99783	3.0
69.03428	33.9
69.07065	5.0
70.03752	2.1
70.06590	41.4
71.04980	5.6
71.28577	1.8
71.52264	3.1
73.02923	9.3
79.05473	4.1
80.04984	1.8
81.03419	40.7
81.03873	1.3
81.07069	4.7
83.01318	1.6
84.08131	2.7
85.02903	100.0
86.09705	8.1
87.00829	35.4
91.05432	10.7
93.07052	9.5
95.04981	4.6
95.08566	2.9
97.02283	3.2
97.02888	35.8
97.06522	3.8
99.04447	16.2
103.05473	5.9
105.01862	31.7
105.07010	5.1
107.04945	2.4
108.04459	10.0
109.02882	38.3
112.07597	3.3
112.25836	1.9
115.05444	3.2
117.01832	3.8
119.08601	3.1
121.06537	12.2
123.04401	2.5
124.07516	1.8
126.05498	4.8
127.03914	69.4
129.01823	7.4
129.87994	1.8
130.08530	1.9
131.04909	1.9
131.08543	2.1
133.06503	4.0
133.10155	2.2
135.04401	12.7
137.05943	1.6
145.04951	33.8
145.06252	3.7
145.06548	4.2
147.02905	2.8
149.05962	23.3
159.02890	24.7
161.05957	2.0
161.25328	1.8
165.04131	2.9
167.07051	11.7
173.05936	3.0
177.03947	2.6
181.08588	85.7
182.08925	1.8
183.02985	2.3
189.03889	4.3
191.07045	3.2
193.03667	3.2
193.08563	12.0
205.08612	4.3
207.10161	4.2
208.06059	7.5
211.07552	3.3
213.03957	3.3
214.12282	4.9
217.08676	3.9
217.74266	2.0
223.09613	5.7
227.07037	3.9
230.06572	3.5
231.04939	15.2
235.09656	3.0
236.05592	8.6
248.07646	7.1
264.22220	1.8
266.08572	2.0
269.08102	2.1
271.09631	5.8
274.12967	3.3
276.09317	1.9
285.07547	7.6
289.10770	5.7
296.06714	3.1
297.07568	43.6
298.08359	17.6
309.07568	6.9
311.09277	9.5
318.11887	2.1
323.09189	1.9
327.08603	53.7
337.10782	9.1
351.08511	11.4
357.09616	2.7
363.08826	1.8
365.10092	2.4
381.09671	8.5
390.92627	1.8
393.09839	5.2
411.10730	17.8
429.11728	22.5
446.17905	1.8
446.26129	2.9
447.12878	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3676
Annotation	2alpha,3alpha,19alpha-Trihydroxy-28-norurs-12-ene
Peak:m/z	Relative Intensity
55.05491	7.6
57.03418	6.9
57.07054	3.2
57.54265	1.6
61.82563	1.7
67.05508	13.9
68.59443	1.8
69.07061	11.0
69.68089	3.8
69.68512	6.2
71.04964	3.5
79.05490	8.1
81.03409	4.0
81.07052	28.1
83.08584	8.0
85.06532	7.5
90.64471	1.6
91.05406	8.8
93.07044	20.2
95.04967	2.9
95.08608	31.1
97.02891	2.2
97.06499	3.9
97.10160	3.9
105.07013	18.5
107.08595	30.6
109.10159	18.8
111.08064	4.0
111.11662	2.0
112.91338	1.7
113.09572	4.0
117.06969	3.6
119.08572	32.3
121.10136	23.7
123.08065	2.3
123.11727	11.6
125.09615	3.6
129.07001	3.4
129.09097	5.9
131.08572	8.6
133.10130	38.7
134.98212	3.5
135.11685	22.3
137.09599	3.6
137.13193	2.3
139.11125	4.0
143.08553	3.3
145.10107	19.1
147.11684	45.4
149.13229	6.8
151.11182	4.2
157.10115	5.6
159.11708	15.5
161.13261	12.3
163.14813	9.1
165.09093	5.6
165.12817	2.4
171.11682	3.2
173.13216	7.3
175.14798	9.4
177.16331	4.2
179.14215	2.6
185.13251	4.4
187.14842	11.3
189.16359	23.4
191.17955	5.1
199.14767	3.6
201.16399	9.9
203.17958	22.7
207.17476	18.7
215.17978	6.4
219.17442	6.3
221.18846	2.7
229.19460	2.7
237.97021	1.9
243.21054	2.6
255.21146	2.7
269.22589	3.0
359.02661	2.4
391.33731	3.8
409.34668	23.1
427.30374	1.8
427.35852	14.2
445.24179	3.2
445.29562	13.7
445.36700	100.0
446.30670	1.7
446.37201	7.0
470.23642	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	445.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.5
55.01859	10.7
55.05514	37.7
56.15865	2.5
57.06833	3.0
57.07074	39.3
67.05215	2.5
67.05503	23.9
68.27887	2.9
69.07069	80.2
70.56876	6.2
70.57259	6.1
71.08638	25.7
73.99743	3.2
77.09428	2.5
79.05493	13.3
81.06599	3.7
81.07059	61.9
83.04977	3.3
83.08620	48.0
85.10173	11.9
91.05474	9.4
93.07051	28.1
95.04920	3.4
95.08612	46.6
97.06520	7.3
97.10176	28.3
99.11690	2.8
105.07028	4.3
107.08598	25.8
109.06551	5.1
109.10152	20.9
111.08056	12.4
111.11689	20.4
117.30750	2.6
121.06493	6.1
121.10150	17.6
123.08012	8.3
123.11716	15.0
124.05185	5.8
125.13274	7.7
125.44221	2.6
133.10193	3.7
135.08041	3.8
135.11694	15.7
137.05972	9.6
137.09654	3.3
137.13210	5.7
139.07542	100.0
147.11699	3.6
149.09619	4.0
149.13258	15.1
151.07526	7.9
159.11731	3.6
163.14818	12.1
164.80595	3.0
165.05455	21.1
165.09120	19.4
167.07014	2.8
175.11217	2.8
177.09090	7.8
177.16316	4.2
181.08656	3.0
189.12723	4.4
193.08690	14.8
203.10709	6.4
217.12140	4.8
221.11711	4.9
231.13734	5.4
289.28891	19.8
307.29919	21.2
328.23196	3.3
359.02988	3.5
399.36432	4.2
417.37259	5.2
427.35754	6.7
445.36823	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.9
55.05510	35.8
57.07076	41.3
67.05498	16.9
69.06736	5.1
69.07073	71.3
69.87096	15.0
69.87504	6.7
71.08643	22.6
73.85977	3.9
79.05488	12.2
81.07053	60.1
83.04984	9.0
83.08627	46.5
85.10170	15.4
93.07049	33.1
95.04984	4.6
95.08612	52.3
97.06530	7.3
97.10159	35.0
107.08588	30.8
109.10168	17.6
111.08075	15.2
111.11740	22.4
121.10140	14.6
123.08122	6.3
123.11710	11.6
124.05214	7.2
125.13227	8.9
133.10117	5.6
135.11682	10.3
137.05981	12.7
139.07547	100.0
147.14998	4.1
149.09622	5.0
149.13277	14.9
151.07538	8.5
163.14816	16.7
165.05511	19.3
165.09106	17.7
175.11337	7.7
177.16382	5.6
179.17957	4.5
193.08615	27.0
203.10564	6.9
217.12231	4.7
221.11809	7.0
231.13594	5.4
289.28818	12.3
307.29904	26.1
326.60306	4.8
391.61282	5.0
417.37521	5.9
427.35767	4.8
445.36780	49.4
467.64816	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	445.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	3.0
55.05514	33.5
57.07080	29.9
67.05505	35.2
69.06735	4.6
69.07075	70.5
69.50787	4.7
69.51199	17.9
71.01335	4.4
71.04993	3.5
71.08633	28.3
77.03899	3.3
79.05496	33.8
81.06593	4.9
81.07062	94.5
83.08624	27.2
85.06541	4.5
85.10165	16.6
86.10249	3.2
89.02420	3.7
91.05471	29.3
93.07040	60.9
95.08606	100.0
97.06532	4.7
97.10184	18.0
105.07039	59.4
107.07886	4.1
107.08601	74.6
109.06513	3.3
109.10166	53.4
111.11718	16.0
113.09644	3.1
117.07011	14.8
119.08581	52.3
121.10152	49.7
123.08056	5.0
123.11717	25.9
129.06972	3.9
130.07776	3.5
131.08577	37.1
132.64813	2.9
133.10120	52.3
135.08031	4.7
135.11684	29.5
137.05978	3.5
137.09671	3.4
137.13203	9.4
137.75743	3.7
139.53009	3.4
143.08551	11.0
144.09308	3.9
145.10124	43.2
147.11699	38.2
149.09561	8.2
149.13271	22.3
151.14824	4.6
155.07048	9.6
155.08511	3.0
157.10098	8.0
159.11700	28.2
161.13248	17.5
163.14828	13.6
165.09111	8.5
171.11693	7.5
173.09752	3.3
173.13225	16.0
175.14780	8.9
177.09143	7.3
177.16234	3.7
185.13297	11.0
187.14812	12.1
189.16327	10.9
191.10690	13.3
193.12183	3.8
199.14801	7.3
201.16318	6.8
203.10612	4.0
203.17918	5.8
205.12198	5.0
213.16376	4.3
215.17632	2.8
219.13795	4.0
227.17868	5.6
229.19330	3.8
231.21111	3.6
233.22612	3.6
245.15463	5.2
247.24216	6.6
287.20004	7.7
305.21118	5.4
341.31900	9.4
343.33630	17.2
359.02768	5.2
362.61319	3.7
367.33951	4.2
385.34335	4.8
409.34579	7.2
427.35797	25.0
445.20267	7.6
445.36758	50.0
446.37070	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	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99351	1.1
53.03933	4.7
55.01852	4.3
55.05513	15.7
57.03429	2.8
57.07074	1.3
65.03926	4.5
67.05503	42.0
68.05837	1.4
69.03432	1.4
69.06731	1.5
69.07070	18.5
70.05583	6.3
71.04972	3.9
73.04767	1.3
74.09716	7.3
79.05491	35.2
81.03415	2.2
81.06591	2.4
81.07054	40.7
83.04970	3.7
83.08628	8.1
85.06543	1.9
91.05457	50.5
93.07046	35.1
95.04967	6.6
95.05484	1.4
95.08600	27.9
97.06522	3.8
97.10183	2.9
98.21465	1.9
103.05434	2.1
105.03410	1.6
105.07026	52.4
107.04968	4.2
107.08595	18.4
109.06506	5.5
109.10149	10.8
111.08096	2.2
115.05433	3.6
117.07010	25.7
119.08572	33.4
120.04476	3.0
121.06505	4.2
121.10128	13.4
123.08066	2.8
123.11678	2.8
125.09648	1.5
128.06223	4.1
129.07010	18.9
130.07733	1.6
131.08556	39.2
132.04456	1.3
133.06487	1.9
133.10133	19.8
135.08057	3.2
135.11665	6.1
137.09586	3.0
141.06981	5.3
142.07784	1.9
143.08549	15.7
144.09280	1.2
145.06497	2.8
145.10109	23.0
147.08037	4.0
147.11638	3.7
149.09631	3.4
149.13217	1.4
153.07051	1.5
155.08562	9.0
157.10126	9.8
159.08008	2.4
159.11650	11.1
161.09612	2.6
161.13264	4.6
166.67230	1.2
167.05583	1.7
167.08569	3.0
169.10152	9.3
171.11661	8.1
173.09685	2.4
173.13245	6.0
181.10170	5.7
183.11694	6.5
185.13257	5.0
187.14766	3.2
195.11681	4.7
197.13271	4.1
198.09160	3.1
199.11145	1.7
199.14807	2.6
201.16350	2.0
209.13316	2.4
211.14824	3.4
213.12773	2.3
213.16331	1.3
215.14420	2.1
223.14883	3.0
225.16338	1.9
227.14317	1.5
233.15312	2.7
241.15829	2.5
243.17715	1.3
247.16972	1.8
254.17711	1.2
255.17458	1.6
259.16953	2.4
261.18414	3.2
269.22552	1.6
273.18500	1.8
285.18607	1.5
325.25259	4.7
335.23810	7.2
343.26218	8.6
353.24680	20.1
359.03006	2.4
371.25815	22.7
389.26868	25.1
391.25888	1.4
409.34674	2.0
417.30365	1.3
427.28366	5.7
427.35977	1.8
445.29477	100.0
446.29935	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	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.0
51.55895	0.8
53.03934	3.1
55.01851	3.8
55.05272	1.0
55.05514	14.7
57.03437	2.0
57.07066	3.5
65.03925	3.7
67.05503	41.5
68.08974	0.8
69.03403	1.4
69.07067	12.3
71.04990	4.0
79.05491	31.1
81.03406	2.1
81.07050	41.0
83.04967	5.0
83.08613	8.1
85.06543	2.4
91.05471	43.7
93.07042	33.5
94.74025	0.7
95.04967	8.2
95.08604	24.2
96.41674	0.8
97.06522	3.6
97.10147	3.4
98.20695	1.4
103.05442	1.5
105.04485	1.2
105.07030	42.7
106.07346	1.2
107.04977	5.0
107.08590	15.2
109.06526	4.6
109.10149	9.6
111.08097	2.0
111.11693	0.9
115.05457	2.1
115.98512	0.9
116.06216	2.0
117.07014	24.6
119.04919	1.1
119.08574	27.0
121.02837	1.0
121.06505	3.7
121.10133	10.1
123.08067	2.6
123.11720	1.6
125.09621	1.2
127.86184	1.0
128.06207	4.0
129.07005	16.2
130.07791	1.7
131.07594	1.9
131.08566	36.5
133.06482	2.6
133.10118	13.8
135.08034	2.3
135.11670	4.1
137.09616	2.3
141.06989	6.1
142.07758	3.0
143.07503	1.3
143.08562	16.0
144.09242	1.1
145.06522	2.0
145.10126	19.8
147.04417	2.9
147.08022	3.6
147.11720	4.7
149.09602	3.8
149.13225	1.9
151.11128	1.6
155.08531	9.3
157.10132	9.7
159.08073	1.8
159.11702	9.3
161.09579	2.3
161.13249	2.7
163.11249	1.1
167.08537	3.0
168.09256	0.9
169.10120	9.2
170.10693	0.9
171.11691	6.8
173.09628	2.5
173.13274	5.9
175.11191	1.5
179.08565	1.2
181.10115	6.0
183.11691	5.8
185.09586	1.1
185.13248	5.5
187.11186	1.7
187.14845	2.1
189.12723	1.2
193.10193	1.1
193.12082	1.2
194.10904	1.2
195.11673	4.1
197.13268	5.3
199.11220	1.2
199.14775	4.9
201.12766	1.9
201.16393	1.2
207.11668	1.5
207.13708	1.3
209.13205	2.6
211.14836	3.1
213.12802	1.5
213.16519	1.3
215.14302	1.6
221.13307	1.0
223.14818	2.7
225.16382	1.8
227.14455	1.2
229.15842	1.8
231.17715	1.0
233.15405	2.3
235.14693	0.9
237.16360	1.4
239.14362	1.0
239.17952	1.1
241.15826	2.5
243.17459	1.7
247.16905	3.2
255.17432	1.2
257.15259	1.1
259.16940	2.0
261.18475	1.8
273.18335	2.1
287.19861	1.4
291.61768	0.9
317.22632	1.1
325.21783	1.3
325.25366	2.7
335.23566	5.6
343.22714	1.1
343.26328	6.3
353.24780	18.8
354.24963	1.0
359.02872	0.9
371.25775	20.2
389.26807	19.1
409.27222	1.1
427.28397	3.2
445.29483	100.0
446.29916	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	445.1707
Annotation	Hyuganoside IV
Peak:m/z	Relative Intensity
53.03932	1.6
54.57761	0.6
55.01865	1.1
55.05507	1.0
57.03413	1.9
61.02914	1.7
61.46453	0.5
67.05491	1.4
67.86085	0.6
68.99794	1.0
69.03431	6.6
69.07058	1.0
69.40935	3.2
69.41343	1.4
70.06580	2.0
71.04978	1.3
72.08115	0.6
73.02901	1.2
73.04732	0.5
79.05487	1.3
81.03419	6.2
81.07059	1.9
84.04490	0.6
84.08147	0.7
85.02432	1.0
85.02905	12.3
85.06548	3.7
86.09712	2.4
87.00824	4.4
91.05420	3.4
93.07056	4.4
95.04974	1.5
95.08612	1.3
97.02895	4.0
97.06600	0.5
99.04456	2.4
99.08043	0.5
105.01830	2.9
105.07037	5.0
107.04937	0.6
107.07880	1.3
107.08599	22.2
109.02872	7.2
109.06503	0.9
109.10131	1.3
117.01859	0.7
119.08558	4.3
121.06558	0.8
121.10140	5.2
123.08028	0.8
123.11751	0.7
127.03929	9.7
129.01872	0.7
131.08589	0.9
133.10133	13.1
135.11690	0.8
137.05984	1.2
137.09642	0.9
139.07541	1.2
143.08498	0.6
145.04973	2.4
149.09631	3.3
151.11186	6.2
159.02899	1.1
161.09615	5.4
163.11235	0.9
167.05769	0.7
167.10658	10.7
179.10680	13.8
197.11734	100.0
198.12105	2.3
229.15746	0.6
231.04982	2.0
247.16928	1.5
265.18042	1.8
282.74741	0.5
322.59741	0.6
353.38605	0.6
359.02679	1.3
393.32083	0.7
427.15979	1.0
445.17099	2.2
445.23245	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1107
Annotation	3'-O-Methylderhamnosylmaysin
Peak:m/z	Relative Intensity
56.96557	11.1
58.03270	4.5
67.44405	4.3
69.03448	5.3
69.23752	4.9
70.06586	18.6
71.51027	6.2
72.08147	19.9
80.01734	4.8
81.04523	6.8
82.48203	4.4
84.08139	10.7
85.02914	15.6
86.06090	30.5
97.02871	5.9
98.97616	25.8
102.96866	8.3
104.10732	5.8
110.97583	6.8
114.96906	6.0
116.07092	9.9
116.98674	11.9
136.06163	5.5
144.10191	14.5
162.98961	5.7
181.30414	4.1
200.05966	7.8
201.08833	5.7
245.11331	17.3
265.02081	6.7
283.03262	5.2
445.10693	100.0
447.65536	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01865	1.4
55.05504	1.1
55.74704	0.4
57.03423	1.3
61.02930	1.1
65.76678	0.5
67.05513	0.8
68.99790	0.6
69.03434	7.5
69.07067	0.5
70.06602	3.2
70.20727	1.6
71.04974	1.7
72.08163	1.0
72.12448	0.4
73.02901	0.8
73.04760	0.7
79.05485	1.6
81.03421	5.6
81.07046	1.9
84.04501	0.7
84.08145	1.2
85.02911	16.8
86.09711	4.9
87.00824	5.0
91.05421	3.4
93.07034	6.0
95.04955	2.1
95.08601	1.4
97.02900	3.6
99.04439	1.6
105.01859	3.9
105.07039	5.9
107.08597	16.4
109.02882	5.7
109.06554	1.2
109.10171	1.5
110.07216	0.7
113.05962	0.6
116.07056	0.6
119.04952	1.2
119.08595	2.8
121.06517	2.2
121.10141	0.7
123.04405	0.9
123.11683	0.8
127.03924	8.1
129.10275	0.8
130.12181	0.4
133.10133	16.6
135.07973	0.6
135.11696	17.8
137.05933	0.8
137.09599	1.3
143.08470	0.6
145.04930	1.9
149.09630	0.5
151.11180	1.4
159.02875	0.9
161.09608	10.3
163.11186	0.5
164.16643	0.4
179.10681	29.2
180.11049	0.7
189.03964	0.5
197.11737	100.0
198.12073	1.8
213.03946	0.7
231.05061	1.9
342.99319	0.6
350.45740	0.5
359.02826	1.0
445.10706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
54.63319	1.4
55.01854	3.4
55.05495	1.4
57.03430	3.2
58.28847	1.4
58.51489	1.4
61.02910	3.2
61.32370	1.4
61.54771	1.5
63.34647	1.4
65.03931	3.5
67.05494	5.1
68.99773	1.9
69.03429	11.1
69.07068	51.1
70.06590	3.9
70.98056	4.1
71.04977	2.2
73.02892	4.3
79.05465	3.1
81.03419	13.6
81.07055	5.3
83.08606	1.8
84.08121	1.9
85.02904	36.9
86.09679	1.9
87.00818	11.6
91.05441	4.2
93.07024	5.6
95.04950	4.2
95.08607	3.2
97.02891	20.2
99.04427	6.2
103.03948	6.9
105.01857	11.3
105.03362	7.3
105.07021	4.8
107.04938	4.3
107.08599	1.8
108.45766	1.3
109.02882	11.1
109.10178	3.5
111.04440	100.0
112.14686	1.4
117.01814	1.8
121.06477	1.9
123.04431	22.0
127.03912	24.9
129.01804	4.0
131.08571	2.4
132.04431	1.8
133.06459	1.8
135.04434	7.6
145.04971	16.7
145.06099	1.9
145.06517	1.5
147.02882	4.3
147.04391	4.8
147.11725	1.8
149.05904	3.4
151.07639	1.5
153.05473	9.5
153.06557	1.5
155.40924	1.4
159.02914	9.0
161.05896	4.3
165.05449	3.9
165.09056	1.9
167.05452	1.9
167.06979	1.5
173.06010	7.9
177.05449	12.1
178.04984	16.3
179.10654	14.6
183.06755	2.1
189.03993	10.7
189.05469	3.0
191.06885	1.4
191.10480	1.8
198.09119	4.3
200.07002	3.0
201.05388	7.9
203.10741	2.5
219.06496	12.6
221.11757	2.7
231.04868	4.0
245.11920	2.0
323.07440	2.0
335.07950	2.1
359.03012	1.9
444.13678	6.0
444.27527	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	444.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17926	1.2
53.03942	2.5
55.05500	2.7
56.05032	8.8
57.03426	4.6
57.07064	1.2
59.04993	2.0
60.04520	4.2
61.02898	1.4
63.98293	1.6
65.53739	1.2
67.05495	2.4
69.03442	6.3
70.06594	34.8
70.72989	3.1
71.01305	1.2
72.08158	22.5
74.06081	100.0
75.10965	1.2
81.03419	3.7
81.07077	1.9
83.04991	2.1
84.04510	7.4
84.08154	10.2
85.02907	7.5
85.06572	1.4
86.06068	2.5
86.09709	21.2
91.05841	1.8
95.08564	1.5
97.02892	4.5
98.06042	7.7
99.04465	2.4
102.05569	8.6
105.03376	3.2
105.07047	1.9
107.08703	1.3
109.02872	8.3
110.40060	1.2
112.08745	1.9
114.05553	2.0
115.03916	1.6
116.07096	51.6
117.05515	2.8
120.06591	18.4
120.07962	2.3
121.02890	1.1
121.06516	2.0
122.05973	1.4
127.03887	3.5
129.05508	2.1
129.10229	4.6
133.06076	2.6
136.07582	4.5
137.05916	1.6
138.05550	2.5
138.09154	2.2
144.06560	47.4
145.05019	3.0
147.06519	1.6
150.05537	1.5
152.14362	1.2
155.08130	1.2
159.07637	1.5
162.07640	10.4
163.05907	1.4
164.07085	1.7
171.14981	1.4
175.11052	2.0
184.06039	1.8
185.16492	3.9
187.11064	1.9
196.06018	1.5
202.06958	1.9
213.12401	1.7
213.16000	5.0
216.09834	2.1
229.15413	2.6
232.12944	4.3
240.08763	2.1
246.09749	3.4
264.16098	3.0
270.09726	10.4
282.13858	1.7
282.17026	5.1
286.17557	3.0
288.10806	6.6
306.11777	3.0
307.31760	1.5
359.02786	1.7
436.99374	1.4
444.16959	1.8
444.22394	3.6
444.28867	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	444.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
55.05513	1.3
64.17233	0.9
67.05498	3.3
69.03394	0.9
69.07070	2.5
70.05093	2.3
70.05489	1.7
70.06596	2.8
77.70438	0.9
79.05484	3.4
81.03422	2.1
81.07043	4.8
84.04536	2.3
84.08131	2.5
85.02896	1.6
85.06523	1.4
86.09726	2.0
91.02061	0.9
91.05415	1.7
93.07037	3.0
95.05000	1.1
95.08607	3.1
97.02888	2.4
97.06560	1.2
99.04448	1.1
105.07011	3.5
107.04945	1.4
107.08585	2.4
109.02876	2.2
109.10142	2.0
117.07033	1.4
119.08579	3.1
120.04465	1.0
121.02911	1.1
121.06535	1.5
121.10133	1.3
127.03915	2.1
128.06221	1.5
129.07014	1.5
130.05035	1.4
130.06508	1.3
131.04982	1.3
131.08583	2.1
135.08018	1.7
137.09595	1.1
140.04948	2.6
145.06482	1.3
145.10141	1.5
146.06015	1.5
146.08429	0.9
151.03943	1.2
151.07634	1.1
154.06512	1.2
155.06042	16.7
157.07599	1.1
157.10068	1.5
158.06038	1.4
159.08099	2.9
159.11719	2.2
161.09653	1.0
167.06006	3.0
168.06853	3.3
169.06252	1.9
169.07625	29.1
170.06017	1.4
173.05997	1.5
175.04057	1.1
177.05527	1.1
179.06035	8.9
180.06764	1.0
181.05057	1.3
181.07675	3.3
181.98409	1.0
182.05992	1.3
183.05518	15.3
183.06873	1.2
183.09227	1.8
184.06012	1.1
184.07559	1.5
185.07079	8.1
187.07549	1.4
188.07115	1.1
189.03920	1.0
193.07582	9.4
194.06050	1.9
194.47827	1.1
195.05533	21.5
196.06293	11.8
197.07103	21.5
198.05487	5.0
198.09174	2.2
200.07106	1.2
207.05499	5.9
208.06227	1.9
209.07158	2.7
211.05080	2.6
211.08717	4.9
213.06604	19.9
221.07092	18.6
223.05040	1.3
225.06596	42.6
227.08270	2.3
229.06091	19.3
237.06602	3.5
238.07455	4.0
239.04543	2.5
239.05760	1.4
239.08165	23.8
241.06120	3.7
241.38542	1.0
243.07750	6.1
249.06537	9.1
253.06161	7.0
255.07687	2.7
257.05426	4.8
265.06088	2.2
267.07623	14.8
269.05606	3.5
271.07135	27.1
277.06039	9.9
283.07260	1.8
285.08676	23.0
285.11630	1.8
295.07108	34.1
295.10410	1.7
296.07492	1.6
312.09558	1.3
313.08197	29.4
313.11798	1.8
314.08719	1.2
331.09177	4.6
338.14966	4.9
359.03033	1.9
370.14963	1.0
380.16010	10.3
384.15558	41.2
385.16174	1.5
398.17191	24.1
426.16602	41.1
427.16653	1.7
444.17737	100.0
444.27744	2.5
445.17776	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	444.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
54.82139	0.2
55.01862	0.2
56.96561	0.3
57.03427	0.6
59.04987	0.4
60.04518	0.3
61.02919	0.5
69.03429	3.4
69.07110	0.2
70.06551	2.4
71.04990	0.8
72.08138	0.8
73.02896	0.3
73.04775	0.9
73.05099	0.2
74.06073	0.4
75.04462	0.2
81.03413	0.9
84.04513	0.4
84.08147	1.5
85.02901	2.5
86.09690	0.7
87.04465	0.7
88.03969	0.2
88.56356	0.2
89.06010	0.2
91.05828	2.0
94.04066	0.5
95.04958	0.2
97.02894	1.5
97.19229	0.2
98.71127	0.2
98.97594	0.3
99.04440	0.9
101.06003	0.8
105.07025	0.2
107.04903	0.2
109.02890	0.5
110.07132	0.3
112.07612	0.3
115.03909	0.5
116.07049	0.3
119.03536	1.1
119.04898	0.3
127.03912	1.0
129.05431	0.3
129.10231	0.5
130.08643	0.3
132.08087	0.4
136.06180	100.0
137.04576	0.8
137.06552	0.6
145.04958	0.5
147.04422	0.3
147.06541	0.6
150.09077	0.3
154.04919	0.2
160.07610	0.3
165.05418	0.3
167.05605	0.9
178.08632	0.4
182.08105	0.6
196.09668	0.4
200.08652	0.2
206.04341	0.2
215.14143	0.2
225.04340	0.3
225.12529	0.2
239.11455	0.2
242.37639	0.2
264.04956	0.4
264.08862	0.2
274.12952	0.3
282.11975	2.3
342.99722	0.3
359.02802	1.0
400.15900	0.3
444.17401	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	443.3884
Annotation	15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
Peak:m/z	Relative Intensity
52.72018	5.4
55.05508	17.7
56.68949	5.0
58.26624	5.6
58.62873	5.9
58.77248	6.6
67.05501	26.4
69.07076	28.3
69.28535	19.9
69.28960	33.3
71.04990	10.9
79.05494	17.0
81.07054	61.0
83.08620	19.2
84.18894	4.9
87.04438	5.6
91.05465	13.8
93.07045	45.8
95.08612	90.6
101.51683	5.3
105.07066	26.3
107.08584	58.4
109.10160	100.0
110.10423	6.6
111.11734	6.3
119.08566	32.9
121.10148	50.7
123.11732	32.2
127.11170	10.0
131.08537	6.7
133.10152	30.0
135.11713	34.4
137.13271	7.7
138.88757	5.8
145.10117	12.6
147.11693	24.2
149.13208	37.6
153.12747	8.4
159.11711	13.2
161.13306	13.5
163.14848	17.1
173.13257	13.6
175.14845	14.5
177.16391	18.4
187.14835	9.0
189.16466	16.2
191.17979	23.6
192.18600	5.3
201.16380	8.9
203.17975	8.7
205.19499	12.8
215.18037	11.0
217.19571	12.7
229.19652	10.6
231.21074	7.2
257.22879	5.7
264.11847	7.4
292.31732	5.9
313.41919	5.5
425.38010	54.7
443.38815	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	443.3884
Annotation	Epigermanidiol
Peak:m/z	Relative Intensity
53.05252	2.4
53.23724	2.0
55.05518	5.0
56.55808	2.7
57.07080	2.6
63.55346	2.1
67.05502	18.2
69.07070	22.4
71.53248	3.9
73.71590	3.2
79.05481	4.3
81.07066	22.9
83.08617	5.7
83.66711	2.6
91.05490	3.7
93.07075	13.8
95.08611	75.3
97.10167	8.8
99.08137	2.5
105.07061	4.0
105.48013	2.6
107.08599	21.2
109.10168	52.5
111.11702	12.0
119.08579	5.8
121.10159	20.5
123.11691	16.4
127.90811	2.2
133.10117	6.0
135.11679	20.6
137.12292	2.3
137.13220	11.6
141.09064	2.9
147.11702	4.1
149.13283	18.9
161.13261	2.7
163.14880	11.3
177.16412	3.3
179.14311	15.1
191.17973	9.2
196.02711	2.6
203.18036	7.3
205.19510	46.7
211.35921	2.7
217.19632	4.9
245.22490	2.7
247.24268	4.7
258.70749	2.6
301.29016	6.7
425.38065	13.3
443.18915	10.7
443.34070	7.5
443.38989	100.0
444.19070	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3522
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
50.25802	0.5
53.03950	0.7
55.05511	2.6
57.07090	0.6
64.02078	0.5
67.05505	3.4
69.03449	0.5
69.07063	3.5
69.49805	3.1
71.05002	3.2
75.94148	0.5
79.05484	2.7
81.07060	9.6
82.07410	0.6
83.04980	0.7
83.08624	2.0
85.06558	2.3
87.26362	0.4
90.00401	0.5
91.05466	3.5
93.07052	9.0
95.04981	0.6
95.08607	14.9
95.89903	0.5
97.06521	1.1
97.10159	1.4
97.57449	0.5
98.21481	0.8
105.07030	7.6
107.08594	12.9
108.08942	0.6
109.06516	1.0
109.10154	9.7
111.08071	1.6
117.07021	1.2
119.08581	11.6
121.10144	8.2
123.08075	1.1
123.11712	5.0
127.11202	0.7
129.07024	0.9
131.08591	3.4
133.10130	10.9
135.08125	0.7
135.11690	11.9
137.09596	0.8
137.13271	2.1
143.08533	2.3
145.10107	5.6
147.08046	1.6
147.11699	8.9
149.13287	5.2
151.11179	1.8
151.14722	0.5
155.15057	0.4
157.10144	2.1
159.11703	5.3
161.09610	1.4
161.13246	6.7
163.11227	0.6
163.14812	3.0
169.10089	1.1
171.11653	2.7
173.13283	2.8
175.11241	0.8
175.14864	4.5
177.12746	3.7
177.16293	2.3
183.11758	0.9
185.13269	3.8
187.14799	4.1
189.12811	0.8
189.16379	8.7
191.17944	1.5
197.13295	0.9
199.14888	2.3
201.16348	3.1
203.14343	8.6
203.17943	6.3
204.18289	0.6
205.15907	1.8
205.19490	0.6
207.17461	4.9
211.14850	1.0
213.16423	1.9
215.14438	0.7
215.17950	1.6
215.33112	0.5
217.16057	0.6
217.19496	0.7
221.18990	1.0
225.16284	0.6
227.17984	1.4
229.19583	1.2
231.17406	0.8
243.21063	0.7
253.19594	1.7
255.21130	1.3
267.21088	1.1
271.20587	3.0
273.22153	2.0
285.22147	1.2
299.23862	0.8
311.24133	0.5
323.23907	0.7
374.21582	0.5
389.31952	0.8
407.33017	7.0
425.34164	4.6
443.35220	100.0
444.35541	8.5
444.41016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3519
Annotation	Topsentisterol A1
Peak:m/z	Relative Intensity
51.06272	0.7
53.03925	1.1
55.01869	5.1
55.05513	15.4
57.07072	1.5
67.05222	0.7
67.05506	6.7
69.03429	1.1
69.07066	25.0
69.24384	6.3
74.72620	0.6
79.05482	2.4
81.07062	11.0
83.04971	1.2
83.08615	18.3
83.09110	0.9
91.05473	2.0
93.07055	5.6
94.07364	0.7
95.08603	20.7
97.06522	2.7
97.10147	1.5
98.21544	1.5
104.97923	0.6
105.07030	2.9
107.08585	12.1
109.06503	1.2
109.10152	26.7
111.08080	7.2
111.11722	4.1
115.60634	0.7
119.08600	5.4
119.19576	0.7
121.06509	1.7
121.10138	10.6
123.08037	0.7
123.11692	7.1
127.11193	3.6
131.08553	1.4
133.10101	5.5
134.79541	0.7
135.08061	3.0
135.11687	8.4
137.09590	0.8
137.13261	4.8
139.07538	1.5
139.11104	0.8
145.10127	2.2
146.68111	0.6
147.11685	2.4
149.09560	0.7
149.13264	5.2
151.07588	1.3
151.14760	0.7
153.12718	4.3
159.11603	1.5
161.09616	0.6
161.13239	2.3
163.14810	4.3
171.11700	0.7
173.13249	1.6
175.11220	1.0
175.14905	0.9
177.16429	2.7
187.14841	1.4
189.16354	1.9
191.17928	1.5
201.16441	0.8
203.18092	1.3
205.12376	0.8
205.19527	1.8
207.13863	2.3
217.19493	1.5
219.13799	1.1
219.21069	2.1
225.14838	0.8
241.19670	0.8
249.14987	0.7
269.22519	0.8
276.41064	0.6
277.21533	1.2
343.26218	2.4
369.27856	1.3
402.14948	0.7
425.34055	6.7
443.35178	100.0
444.35632	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	443.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01884	0.5
55.05510	1.0
55.86749	0.3
56.05024	0.4
57.03439	0.6
57.44292	0.3
60.04523	0.7
60.05653	6.2
67.05501	0.9
68.21815	0.4
69.03431	1.7
69.07071	8.7
69.37460	0.6
69.37873	2.2
70.06594	23.7
71.04987	1.2
72.08151	3.8
73.02946	0.4
74.06072	0.4
79.05497	0.8
81.03001	0.3
81.03419	1.6
81.07045	1.7
83.05003	0.7
84.04519	0.4
84.08150	1.9
85.02902	1.7
85.07654	0.4
85.92113	0.3
86.09708	100.0
87.10070	0.9
91.05489	1.0
93.07052	1.0
95.04980	1.1
95.08622	0.8
97.02898	0.8
97.06548	0.5
99.04457	0.6
103.05476	0.3
105.03414	1.0
105.07030	1.2
107.05038	0.3
107.08627	0.7
109.02897	1.3
109.06560	0.5
109.10144	0.7
110.07214	0.4
111.04419	0.5
111.11989	0.4
112.08746	3.6
113.07150	0.4
114.10326	0.6
115.08688	3.0
116.07092	8.3
119.08632	0.6
120.08095	1.1
121.06521	0.5
121.10164	0.7
123.04468	0.3
124.07585	0.5
127.03956	1.2
128.10722	14.7
128.11671	0.5
129.10260	0.6
130.09756	2.9
131.08531	0.5
133.09740	0.6
135.11687	0.3
136.07603	0.5
137.06029	0.6
138.09186	0.4
139.07558	0.4
145.06531	0.4
146.06050	0.4
147.04401	0.7
147.08125	0.4
151.03911	0.5
156.10197	1.1
156.11319	7.3
157.10812	0.4
158.09264	6.9
159.07994	0.5
161.06020	0.6
163.11255	0.3
164.07089	0.4
166.08627	0.4
175.11913	16.2
177.05513	0.4
177.09167	0.4
179.06990	0.3
193.08624	0.4
195.10042	0.5
195.13892	0.4
207.06541	0.8
215.14122	0.4
226.15517	0.6
228.17064	0.4
229.15773	0.4
237.39848	0.3
247.09637	0.3
251.17494	0.4
253.16461	0.5
263.16501	0.9
269.18710	1.1
271.17682	8.8
288.20325	0.9
357.11249	0.4
399.15979	0.5
401.27545	0.6
425.29199	0.5
443.29788	90.0
444.30212	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.3
53.03591	1.0
53.03929	3.2
54.49800	1.2
55.01856	4.1
55.05510	13.2
56.73965	1.0
57.03431	4.8
57.07058	1.8
62.73563	1.1
64.53455	1.2
65.03937	2.2
67.05503	33.0
69.03411	1.9
69.07068	13.7
70.06623	1.3
71.04998	2.5
71.53359	2.3
79.05494	27.0
81.06602	1.4
81.07061	26.7
83.04965	4.0
83.08617	6.8
85.06541	1.6
89.80817	1.3
91.05481	37.6
93.07046	23.2
95.04953	5.5
95.08605	20.8
97.06503	5.5
97.10156	4.0
103.05435	1.9
105.04424	1.3
105.07030	22.9
107.04944	5.1
107.08596	13.2
108.65156	1.1
109.06507	4.6
109.10174	12.1
111.08050	2.0
115.05453	4.7
115.88138	1.2
116.06227	1.4
117.07021	22.6
119.05071	1.3
119.08575	15.9
121.06504	5.4
121.10139	8.5
121.58621	1.1
123.04382	1.3
123.08060	4.5
123.11700	3.1
125.09644	2.4
128.06221	9.2
129.07010	32.2
130.07751	1.6
131.04924	2.0
131.08566	30.3
133.06494	5.7
133.10115	12.3
135.08041	4.6
135.11694	4.9
137.09612	3.4
141.06993	13.3
142.07771	2.7
143.08562	26.1
145.06465	7.1
145.10115	16.4
147.08046	6.0
147.11668	4.1
149.09622	4.0
149.13248	2.7
153.06967	3.0
154.07727	2.5
155.08571	19.9
157.06522	2.4
157.10109	12.8
159.08063	4.0
159.11726	7.6
161.09676	2.7
161.13222	2.6
165.06969	2.6
165.09116	2.4
166.07770	1.6
167.08557	7.5
168.09282	1.8
169.10136	13.7
171.08047	3.8
171.11739	7.4
173.09563	1.9
173.13263	2.3
175.11156	3.0
179.08551	3.7
181.10120	9.9
182.10941	1.9
183.11674	7.9
185.09613	1.9
185.13298	6.2
187.11131	3.0
187.14742	2.0
189.09135	1.3
193.10092	4.6
195.11687	11.0
197.09544	1.5
197.13246	6.0
199.11182	2.3
199.14861	2.6
201.12703	1.4
207.11644	5.2
209.13245	6.9
211.11229	1.9
211.14819	3.6
213.12790	5.0
213.16348	2.4
215.14276	2.5
221.13213	7.3
223.14806	6.4
225.12804	3.5
225.16397	2.8
227.14293	1.6
235.14769	3.9
239.14275	4.7
241.15845	1.4
247.16994	1.2
249.16505	2.6
253.15851	3.4
257.15427	2.0
271.17004	3.2
285.18454	1.7
296.12946	1.6
315.21008	1.5
323.23669	5.2
333.22232	8.3
341.24750	4.7
345.05899	2.2
345.20697	1.5
346.06625	2.0
351.23145	27.4
352.23505	2.6
369.24231	28.8
369.28583	2.3
370.24585	1.6
387.25330	12.2
404.65717	1.4
425.26788	5.1
443.27869	100.0
444.28247	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	443.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01870	3.5
55.05513	16.7
55.91167	0.7
56.05820	0.9
57.03442	3.9
57.07087	0.9
57.33898	0.6
59.05008	0.7
65.03927	2.5
67.05506	30.4
68.05845	0.7
69.03431	1.4
69.07068	12.4
69.48330	3.7
69.48750	1.3
70.06568	1.2
71.04985	2.7
73.06528	1.2
79.05494	27.1
81.03411	2.3
81.07058	30.3
83.04994	4.0
83.08624	7.8
85.06533	2.6
91.05479	39.1
93.07046	23.3
93.07642	1.2
95.04967	6.7
95.08609	19.2
97.06538	4.6
97.10162	2.6
99.08104	0.8
103.05463	2.0
105.02295	0.7
105.07031	27.2
107.04948	5.7
107.08586	10.8
109.02896	1.3
109.06515	4.8
109.10152	8.9
111.08080	2.5
115.05428	5.5
116.06218	1.7
117.07021	22.3
119.04961	2.3
119.08583	18.3
121.06487	6.0
121.10143	7.8
123.08064	2.6
123.11689	1.8
125.09648	1.5
127.07555	1.8
128.06219	9.3
129.07010	33.2
130.07762	1.1
131.04916	1.5
131.08572	29.4
133.06499	6.0
133.10133	11.4
135.08055	5.7
135.11703	3.8
137.09619	3.5
141.06989	13.1
142.07771	4.8
143.08566	27.6
144.09337	1.2
145.06493	6.0
145.10118	16.4
147.08025	5.0
147.11665	4.3
149.09613	4.5
149.13242	1.9
151.07524	0.8
151.11176	1.4
153.07037	2.9
154.07761	2.2
155.08551	19.5
156.09308	2.0
157.06503	2.3
157.10123	14.3
157.11325	1.2
159.08095	4.3
159.11688	5.6
161.09627	2.7
161.13292	1.8
163.11189	2.4
165.07002	2.2
165.09152	2.4
166.07825	1.4
167.08562	8.7
168.09361	2.0
169.10129	12.6
170.10741	0.7
171.08061	3.3
171.11673	8.6
171.81805	0.7
173.09653	2.9
173.13274	2.9
175.11214	3.2
177.09174	0.8
177.12762	1.5
178.07713	0.8
179.08575	4.3
180.09364	1.5
181.10117	8.5
182.10953	1.3
183.11696	8.0
184.12431	0.9
185.09618	2.5
185.13261	5.7
187.11169	2.5
187.14774	1.9
189.12764	1.2
189.16434	0.8
191.10675	0.9
192.09386	1.1
193.10167	4.0
194.10793	1.2
195.11711	9.4
196.08916	0.9
196.12244	0.8
197.09615	2.4
197.13269	5.7
199.11192	3.0
199.14859	3.0
201.12769	2.0
203.08528	0.7
203.14403	1.4
205.10159	1.4
205.12291	0.9
207.11740	3.9
208.12494	0.9
209.09729	0.8
209.13316	7.6
211.11150	2.9
211.14832	4.1
213.12724	5.3
215.14337	1.4
217.15971	0.9
219.11769	0.8
221.13252	5.0
223.11198	1.0
223.14832	4.8
225.12767	2.1
225.16377	2.4
227.14319	2.6
229.15933	1.5
231.13818	1.9
233.13315	1.6
233.15457	0.9
235.14960	3.7
237.12846	1.3
237.16385	1.5
239.14313	3.8
239.17963	1.4
241.15802	1.7
243.13741	1.0
245.15439	1.7
249.16425	1.7
253.15802	4.4
255.13812	1.0
257.15411	3.1
259.17133	1.5
265.15961	0.9
267.17429	1.5
271.16898	3.2
273.18661	1.0
285.18552	1.4
297.84027	0.8
305.22540	1.3
315.21100	0.9
323.23566	4.7
329.24927	1.1
333.22137	8.1
341.24872	5.2
345.20551	1.5
351.23178	26.9
352.23486	1.9
369.24246	34.1
370.24576	2.2
387.20328	1.1
387.25287	14.5
388.25235	0.9
389.24567	1.0
407.25354	0.9
415.28723	0.8
425.26675	5.5
426.27023	0.8
443.27914	100.0
444.28146	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	443.2429
Annotation	Cinobufagin
Peak:m/z	Relative Intensity
53.03928	6.7
54.96398	3.4
55.01867	7.2
55.05510	13.3
57.03444	5.4
57.07079	3.6
59.35929	3.4
61.49142	3.6
65.03943	4.2
65.38199	3.2
67.05507	21.5
69.03419	8.8
69.07064	16.2
70.06591	9.1
70.47189	3.4
71.05003	4.8
71.52419	3.2
79.05488	13.9
79.28033	3.2
81.03437	21.6
81.07053	20.7
83.04974	15.8
83.08625	10.3
85.06562	4.4
91.05483	24.4
93.03385	4.1
93.07043	24.1
95.04964	24.1
95.08617	30.7
97.02875	4.6
97.06527	6.9
97.10188	3.6
105.06377	4.9
105.07018	32.7
107.04966	7.7
107.08581	21.6
109.02873	16.5
109.06525	24.9
109.10140	15.3
111.04442	7.9
111.08083	28.2
113.06001	5.0
117.07031	14.6
119.08567	35.3
121.02869	42.6
121.06487	6.3
121.10144	26.0
123.04426	8.9
123.08069	10.2
123.11732	7.0
128.06233	6.7
129.07010	8.1
131.08562	19.5
133.06477	6.3
133.10136	29.6
135.08052	9.7
135.11710	15.2
137.06020	4.0
137.09581	9.8
139.03928	18.7
142.07832	4.3
143.08554	20.3
145.06468	10.3
145.10114	29.4
147.08006	5.9
147.11723	22.4
149.09656	7.5
149.13260	7.3
151.07626	5.5
151.11229	5.0
155.07065	8.6
155.08528	7.4
156.09390	4.6
157.10135	19.0
159.11717	24.6
161.09602	11.0
161.13254	15.9
163.07535	17.1
163.14729	4.0
165.09149	17.3
169.10123	12.3
171.08049	4.1
171.11720	20.8
173.09647	11.2
173.13274	10.2
175.07483	4.6
175.11174	7.4
181.10080	5.7
183.10231	5.0
183.11732	7.3
185.09608	8.3
185.13243	16.4
187.11247	8.1
187.14839	5.9
189.09172	4.6
189.12833	5.3
189.16460	5.6
195.08092	5.5
195.11707	8.2
197.09631	4.2
197.13275	5.7
199.11176	7.5
199.14825	8.6
201.09079	4.7
201.12723	5.0
201.16225	8.6
209.09616	3.7
213.12773	8.6
213.16394	16.4
215.14294	6.4
219.11702	3.9
223.11081	4.7
227.17993	9.2
229.16084	5.6
235.14630	4.1
241.12160	6.1
269.19113	5.0
287.20029	3.9
295.16913	6.2
297.18500	6.2
309.18390	11.2
313.14496	5.3
323.19980	18.6
327.19446	4.6
337.21524	13.9
347.20154	9.5
351.22943	4.7
355.22665	11.3
355.54391	4.0
365.21063	20.5
381.20251	4.3
381.24423	7.0
383.22134	100.0
407.22043	12.4
425.23077	23.9
443.23410	5.4
443.28403	6.9
464.81668	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	443.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.01864	7.6
55.05502	9.5
57.03425	3.3
57.07071	16.0
67.05511	14.9
67.76126	2.5
69.03425	6.7
69.07066	9.1
71.53452	3.8
73.05227	2.6
79.05476	19.8
81.07052	17.9
83.04980	5.0
83.08609	3.7
85.06541	8.8
91.05467	36.1
93.07040	24.9
95.04953	7.7
95.08603	21.2
103.05488	3.7
105.07014	35.6
107.04955	8.2
107.08582	20.2
109.06525	6.4
109.10140	6.2
115.05425	6.0
117.07018	18.8
119.08559	24.7
121.06509	13.9
121.10149	7.5
123.04420	3.1
123.08032	6.1
123.11725	3.5
125.05894	3.5
128.06201	10.8
129.06996	13.9
131.08565	33.7
132.05629	3.3
133.06458	8.4
133.10135	13.1
135.08055	9.7
135.11693	3.3
137.05983	5.8
141.06973	10.1
142.07838	13.6
143.08582	29.1
145.03091	2.9
145.06502	13.3
145.10123	21.2
147.08006	13.2
147.11696	5.8
151.07549	7.2
152.06223	3.6
153.06985	10.2
154.07788	7.5
155.08536	24.9
156.09300	6.8
157.06464	6.5
157.10132	22.9
159.08058	27.5
159.11711	8.7
161.09612	8.7
163.07594	4.8
165.06969	17.9
165.09077	4.6
166.07823	10.4
167.08551	19.8
168.09346	5.3
169.06435	4.5
169.10101	30.7
171.07993	17.0
171.11665	15.5
173.09637	7.8
173.13219	3.8
175.07729	6.3
177.09106	8.3
178.07826	13.7
179.08545	30.0
179.10072	3.5
179.10556	2.8
180.09354	12.8
181.06618	4.8
181.10129	26.0
182.07324	4.1
182.10904	5.4
183.08069	7.6
183.11678	22.0
185.09612	9.1
185.13309	5.8
187.07585	5.1
187.11185	3.1
189.07094	4.1
189.09108	8.4
191.08600	5.2
191.10597	4.8
192.09331	16.1
193.10092	39.8
194.10930	11.2
195.08009	14.7
195.11705	30.3
196.08824	6.4
196.12352	4.0
197.09637	24.0
197.13269	11.8
199.07489	4.3
199.11092	6.8
199.14799	3.1
200.10683	5.5
201.09229	6.4
201.11023	4.3
203.08690	3.3
203.10638	5.7
204.09402	4.9
205.10121	11.7
206.07249	5.3
206.10896	9.6
207.08206	6.5
207.11681	29.6
208.08858	10.1
208.12378	7.4
209.09662	18.4
209.13239	18.1
210.10468	3.9
211.11192	16.2
211.14836	7.5
215.10655	7.6
218.10959	4.4
219.08115	4.3
219.11714	18.7
220.08835	8.0
220.12531	11.5
221.09605	35.9
221.13165	19.7
222.10297	9.1
223.07558	3.6
223.11116	21.3
223.14825	8.9
224.11888	4.0
225.09137	7.7
225.12801	6.5
227.10721	8.1
227.14250	6.5
229.10182	6.2
229.12257	5.7
231.11580	3.6
232.08835	4.3
233.09702	5.0
234.10437	3.7
234.14015	9.0
235.11226	27.2
235.14796	18.8
237.12766	16.3
237.16399	7.2
239.10667	14.0
239.14339	8.4
239.18028	3.5
240.11098	3.6
241.08368	2.9
241.12259	6.7
244.12466	6.2
245.13269	5.1
246.10326	3.6
247.11169	10.9
248.12025	9.0
249.09203	13.2
249.12772	6.3
249.16351	22.7
251.10661	5.0
251.14380	5.7
251.17966	4.5
253.12183	12.8
253.15930	6.1
255.13785	5.8
257.15475	3.2
259.14743	7.6
261.16641	3.2
262.13602	7.3
263.10919	5.5
263.14291	19.8
264.14941	3.5
265.12265	5.9
265.16058	4.8
267.10294	13.7
267.13434	2.9
267.17380	7.2
269.15402	4.1
271.16913	3.7
275.10782	3.4
275.13892	3.2
277.15848	34.6
279.17477	4.0
281.11758	7.5
281.15326	14.4
283.13309	11.9
283.16931	6.1
285.11163	6.8
287.14352	9.8
293.15234	4.6
295.16898	41.9
297.18570	5.8
299.12991	5.6
299.16241	3.7
305.15381	21.9
311.16461	7.3
313.17990	11.7
323.16415	46.1
341.17453	100.0
342.17709	6.4
345.05823	3.5
369.24481	3.1
443.23291	4.8
467.53210	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	443.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53931	1.2
53.03938	3.1
55.01861	5.7
55.05516	13.5
57.03428	4.3
57.07063	6.2
59.04993	1.6
65.03921	3.2
67.05503	34.4
69.03424	3.0
69.07066	16.4
70.20941	1.4
71.04990	4.1
71.53687	1.7
79.05068	2.3
79.05493	29.1
80.04938	1.4
81.07053	36.4
83.04972	3.8
83.08617	9.7
85.06528	3.7
91.04901	2.3
91.05479	46.1
93.07037	24.1
94.78646	1.3
95.04958	6.3
95.08605	26.7
97.06520	4.2
97.10179	2.0
103.05452	3.4
103.07565	1.9
105.07027	39.8
107.04964	6.5
107.08588	14.1
109.06519	5.8
109.10149	10.4
111.08086	2.2
115.05442	5.7
117.07010	27.4
119.04896	1.7
119.08582	25.2
121.06493	8.8
121.10130	10.7
123.04338	2.2
123.08068	3.7
125.09637	2.2
128.06201	11.4
129.07007	39.9
130.07768	2.9
131.04942	1.6
131.08562	39.9
133.06491	7.2
133.10104	13.1
135.08061	7.5
135.11690	4.5
135.26021	1.3
137.05949	2.8
137.09569	2.6
141.06979	16.2
142.07773	7.6
143.08549	34.9
145.06491	10.0
145.10123	21.8
147.08054	9.5
147.11702	4.4
149.09615	5.5
151.07503	2.6
153.07024	5.4
154.07788	3.6
155.08560	31.1
156.09360	4.6
157.06535	4.3
157.10129	24.3
158.07253	1.7
159.08061	14.0
159.11676	10.6
161.06009	2.2
161.09668	5.6
161.13293	1.8
163.07556	2.3
163.11139	3.0
165.07011	9.8
165.09128	3.4
166.07744	3.7
167.08553	18.1
168.09331	4.4
169.10114	24.5
170.10976	3.0
171.08049	7.8
171.11665	12.2
173.09668	4.4
173.13290	2.1
175.07631	2.3
175.11244	3.1
175.14764	1.7
177.09119	3.2
178.07819	6.0
179.08559	12.9
179.10551	1.8
180.09351	4.6
181.06535	2.0
181.10103	19.1
182.07219	1.5
182.10922	2.5
183.08089	5.2
183.11687	14.8
185.09650	5.0
185.13251	7.1
187.11191	2.4
187.14761	1.7
189.07179	1.6
189.09088	2.5
191.08495	3.9
191.10634	1.9
192.09370	6.2
193.10162	19.6
194.10922	4.2
195.08109	5.6
195.11694	22.3
196.08951	2.7
196.12390	1.8
197.09680	7.7
197.13255	11.6
199.07555	1.6
199.11206	3.8
199.14850	3.7
201.09164	1.9
201.12740	2.1
202.07698	2.0
203.08617	2.5
203.10605	2.1
204.09373	1.8
205.10097	5.2
206.07095	1.5
206.11038	3.4
207.08049	3.7
207.11723	15.5
208.08890	3.8
208.12454	3.0
208.29710	1.5
209.09828	6.5
209.13246	14.8
211.11226	11.1
211.14832	7.2
213.12775	4.5
213.16391	2.4
215.10641	2.8
217.10123	3.7
217.15857	2.5
218.10973	1.8
219.11731	7.5
220.08818	1.7
220.12442	4.1
221.09698	11.4
221.13248	15.5
222.10390	3.1
223.11215	10.0
223.14851	10.1
225.09175	2.1
225.12796	4.5
225.16425	4.1
227.10722	3.9
227.14279	3.0
229.12289	1.8
229.15956	1.7
231.11774	2.8
233.09653	2.7
233.13272	2.5
234.10475	2.3
234.14047	3.9
235.11250	8.0
235.14755	10.6
237.12766	5.9
237.16432	5.4
239.10692	5.3
239.14275	10.5
239.17868	1.7
241.12236	3.2
241.15820	2.6
243.13759	1.8
244.12492	2.2
245.09624	1.7
245.13185	2.9
245.15430	2.4
247.11240	4.4
247.14847	2.9
248.11917	2.4
249.09175	6.1
249.12807	3.2
249.16415	11.3
251.14375	2.7
251.17900	3.0
253.12263	4.6
253.15819	6.9
255.13814	5.0
257.15390	5.6
259.14835	2.3
261.16415	2.0
262.13477	2.1
263.10709	3.0
263.14377	6.1
265.12393	1.9
265.15912	3.0
267.10098	4.1
267.17511	4.3
269.15366	3.0
271.16895	3.2
277.15857	12.5
279.17499	3.5
281.11896	3.0
281.15421	4.1
283.13263	3.8
283.16928	4.3
285.11319	2.0
285.18640	3.2
293.15228	1.8
295.13837	2.3
295.16934	14.7
297.18561	3.3
299.12997	2.0
305.15460	9.2
305.22632	2.8
313.17966	3.4
323.16437	18.6
323.23541	3.4
331.19269	1.9
333.22104	11.8
341.17465	46.5
341.24744	6.3
346.06543	2.6
351.23190	34.8
369.19934	2.8
369.24225	24.5
387.25455	9.3
415.28635	1.7
425.26657	8.4
443.27963	100.0
444.28198	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34180	1.1
54.56820	0.9
55.01865	2.4
55.05487	1.6
57.03414	1.6
67.01886	1.0
67.05504	2.1
69.03419	1.8
69.07063	1.1
69.43884	1.6
69.44286	6.2
70.06573	0.9
79.05479	2.3
79.08649	0.8
80.16576	0.8
81.03413	2.3
81.07042	2.9
83.08618	1.0
85.02898	7.4
91.05468	1.6
91.24588	0.9
93.03397	2.9
93.07031	1.1
95.04941	2.6
95.08597	3.7
97.02881	7.9
98.21484	1.3
103.05495	1.1
105.03358	1.6
105.07019	1.5
107.04942	3.0
107.08575	2.0
109.02863	4.1
109.06561	1.2
109.10119	2.1
114.57955	1.0
116.07036	0.8
117.06941	1.0
119.04938	1.0
119.08558	2.7
121.02843	4.8
121.06492	1.6
121.10103	2.1
123.04433	1.8
127.03902	2.3
131.04909	3.1
131.08539	1.5
133.10042	1.3
135.04449	4.3
137.02303	1.8
138.09230	1.4
139.03865	5.5
145.02864	1.0
145.06477	1.7
145.10135	1.0
147.04411	2.2
147.11626	1.1
149.02261	1.8
149.05984	2.8
151.03909	5.0
151.07471	1.3
159.04428	7.6
159.11693	1.0
161.05998	1.6
163.03906	11.8
163.07640	0.9
165.05487	1.1
167.03360	3.7
169.06377	1.5
173.06003	3.2
175.03917	13.8
177.05478	16.8
178.05882	1.3
181.04947	43.7
182.05145	1.1
187.03894	9.6
189.05418	1.7
191.07007	4.8
193.04955	48.5
197.05911	1.4
201.05437	11.0
205.04948	24.0
207.06493	1.7
211.05849	1.1
213.05473	2.4
215.07072	1.2
217.04906	4.0
219.06506	20.0
221.04404	1.5
223.06007	51.4
225.05481	3.2
229.04926	5.4
231.06467	3.6
233.08061	3.0
235.06047	4.7
241.05009	4.5
243.06586	5.3
247.06010	52.4
253.04930	2.8
259.05994	17.4
261.07608	3.1
271.06003	9.1
271.17386	1.3
277.04071	1.1
277.07053	21.9
281.13800	2.1
289.07043	34.3
293.13779	5.7
305.13843	4.4
307.08118	21.4
313.09003	1.2
323.14874	7.7
325.09167	100.0
326.09540	3.1
343.10175	5.8
347.14838	2.9
359.14767	5.4
389.15671	2.5
407.16858	3.5
425.12457	1.8
425.17850	5.7
443.18808	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	443.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
54.73441	0.8
55.01862	2.0
55.05508	2.2
57.03429	1.4
58.77190	0.7
67.01881	1.6
67.05504	2.1
69.03432	3.8
69.07066	1.7
70.06593	1.8
70.73713	1.7
70.74054	1.0
71.04981	1.3
73.02914	1.1
79.05508	3.4
81.03441	4.0
81.07057	3.4
85.02905	6.4
85.06508	1.8
87.00835	0.7
91.05463	4.0
93.03394	3.5
93.07037	2.4
95.04961	2.4
95.08636	3.9
97.02895	8.4
99.04494	1.0
103.05481	1.0
103.59090	0.7
105.01868	0.9
105.03371	2.0
105.07021	2.5
107.04961	4.1
107.08594	2.6
109.02898	4.0
109.06493	1.4
109.10162	1.7
111.04432	1.8
111.08101	1.0
115.05396	1.0
117.07025	1.9
119.04944	1.7
119.08584	2.9
121.02881	5.0
121.06521	1.8
121.10156	2.3
123.04472	1.9
123.11720	1.0
127.03924	2.7
129.07019	0.9
131.04932	1.9
131.08569	1.2
133.06494	0.7
133.10052	1.3
135.04428	4.8
135.08063	1.0
135.11708	1.1
137.06033	1.1
138.09140	1.0
139.03873	5.5
141.07048	0.9
143.08551	1.0
144.78601	0.7
145.06520	1.5
145.10138	2.3
147.04422	2.6
149.02319	1.6
149.05948	3.5
151.03941	4.9
151.07527	1.3
157.09978	1.1
159.04437	7.7
161.05968	1.7
163.03918	14.5
163.11298	0.9
165.05580	0.9
165.09071	0.9
167.03429	3.8
167.07063	1.5
169.06523	1.0
173.06052	3.5
175.03928	15.9
175.07549	0.7
177.05476	18.4
181.04962	40.7
185.06013	1.2
187.03925	7.9
187.07527	1.9
189.05486	1.7
191.03430	0.9
191.07062	4.3
193.04977	49.2
195.06543	2.3
197.05913	1.3
201.05441	9.5
201.16344	1.1
205.04974	21.7
207.06522	1.2
211.05913	1.1
213.05481	2.8
215.07057	2.6
217.04993	4.6
219.06532	21.7
221.04420	1.6
223.06020	49.5
225.05463	4.2
229.04947	5.6
231.06615	3.3
233.08078	2.0
235.06021	2.8
241.04988	5.2
243.06557	4.8
247.06042	49.0
253.05035	2.8
259.06042	16.7
261.07568	2.7
270.16940	0.8
271.06006	9.0
277.04001	1.2
277.07068	24.1
281.13724	2.2
289.07098	31.3
290.07547	0.9
293.13840	4.8
305.13824	3.2
307.08124	20.7
323.14938	5.9
324.15164	0.8
325.09192	100.0
326.09537	1.3
336.84970	0.7
343.10284	6.7
347.14908	4.0
359.14932	4.8
389.15829	1.9
407.16943	3.6
425.12207	2.1
425.18036	6.2
443.19037	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	443.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	0.8
67.05499	0.9
69.89159	1.9
81.03407	0.5
81.07072	0.4
83.01353	0.5
93.03388	1.7
95.04964	0.8
95.08595	0.6
97.02805	0.4
105.03349	0.5
105.07035	0.4
107.08571	0.6
109.02879	1.2
109.06470	0.5
119.08556	0.5
121.02859	3.1
121.10114	0.4
122.03587	0.4
123.04408	0.6
125.02340	1.0
133.02824	0.5
133.10136	0.4
135.00842	0.3
135.04433	0.7
137.02330	3.5
137.05981	4.6
149.02370	1.7
150.03174	0.5
151.02736	0.7
151.03911	7.7
151.05029	0.7
152.01074	0.4
153.01830	6.1
164.04681	0.9
165.01825	0.9
166.06236	0.5
169.01262	0.6
170.02087	0.9
171.02931	0.4
173.05994	0.6
177.05446	0.5
181.01308	5.1
182.02203	0.5
183.02953	0.5
183.04433	0.9
185.05888	0.7
187.04112	0.3
189.01741	0.4
193.01295	0.4
199.02293	0.4
200.04675	0.8
201.05478	1.7
211.03842	0.7
213.05414	0.5
217.04903	0.4
227.07196	0.4
228.04167	1.3
229.05013	4.0
231.02881	0.5
239.03456	0.6
241.04893	0.4
243.06390	0.5
244.03613	0.7
245.04543	0.7
246.05168	1.4
255.03008	0.4
256.03674	1.0
257.04428	4.2
258.05191	0.9
259.02469	0.6
260.03296	0.5
261.07806	0.5
268.41730	0.4
269.04471	0.7
271.06137	0.7
273.04156	0.8
273.07129	0.4
274.04675	3.2
275.05386	0.6
284.03113	0.6
285.03943	7.1
286.04584	0.8
287.05420	1.3
289.07077	0.6
299.05368	0.6
300.02692	0.9
300.06198	1.1
301.03302	0.9
301.06735	0.4
302.04218	8.7
303.05032	2.4
313.03333	4.5
314.04156	1.4
315.04984	2.0
317.03207	1.2
317.06540	28.6
318.06921	0.6
327.05096	1.0
328.05743	3.5
329.06512	7.3
330.03680	9.1
331.04425	4.0
332.05185	4.7
335.45297	0.4
345.06042	100.0
346.06805	78.9
347.07230	3.0
443.13422	0.8
443.27750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
56.96563	86.9
59.36161	1.9
61.02905	1.7
62.89193	1.9
63.14259	1.8
65.64231	2.1
65.83312	2.1
69.03427	7.7
70.06590	10.2
70.12387	7.2
71.95245	5.4
72.96030	3.3
74.97622	3.6
76.67796	1.9
81.03431	3.3
81.07008	2.8
83.91489	2.1
84.08141	4.7
84.96025	6.4
85.02908	9.8
85.03901	1.9
86.09694	3.1
93.87785	1.9
97.02885	3.8
98.21372	2.2
98.97583	30.8
104.68633	2.5
105.03378	24.4
106.03741	2.3
110.97562	5.4
112.99113	3.7
116.07055	3.3
116.98601	17.6
119.01868	5.9
119.04906	2.2
123.01283	2.3
127.03907	3.9
128.97763	2.1
128.98582	11.4
129.09238	1.9
131.00182	6.6
132.98141	2.4
134.99672	6.0
135.11383	2.1
136.07581	2.4
137.02771	2.6
143.00162	6.8
146.99651	5.5
147.04370	6.0
147.85399	1.9
149.01241	3.9
150.99179	2.1
152.07069	4.7
153.02235	2.4
155.03836	2.5
157.03445	2.3
158.99629	4.7
161.01222	7.3
170.99657	4.1
171.03296	6.4
173.01202	6.4
177.00725	7.0
177.05580	3.0
183.03297	2.4
183.06793	2.2
185.01260	4.1
189.00644	4.8
189.04338	19.7
191.02242	6.0
193.03802	2.6
197.04890	7.3
197.53787	2.3
201.00706	5.8
203.02524	2.1
203.05981	4.6
207.05191	12.6
215.05980	3.0
219.01749	8.6
221.06998	4.7
223.02824	4.0
229.07454	2.9
231.01733	2.2
231.09003	2.1
235.10127	9.0
237.02745	10.4
237.13379	9.5
241.03857	5.9
251.04320	4.6
253.11102	89.0
255.14421	22.2
263.00668	3.4
271.12161	100.0
272.06842	4.3
272.12497	2.8
272.56308	2.4
276.12643	4.0
279.09106	10.3
281.01715	5.0
281.12057	3.8
287.04221	3.0
289.13101	2.2
294.13568	4.4
297.10114	56.5
299.13315	6.8
305.01871	2.5
315.11136	54.1
315.14566	4.2
320.11667	4.4
323.02795	4.4
323.13455	16.0
339.11020	3.4
341.14346	7.3
425.05927	8.8
443.09656	5.3
443.16306	4.3
468.60803	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	442.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81990	1.1
53.03930	1.1
55.01851	1.3
55.05516	1.8
57.03442	9.5
59.05001	1.1
60.04525	2.4
67.05492	1.9
69.03431	27.8
69.07075	1.5
70.06588	16.3
70.69349	2.5
71.04992	19.3
72.08154	2.6
74.06074	1.5
79.05505	1.5
81.03419	4.6
81.07064	2.3
84.04504	2.1
84.08133	6.6
85.02911	19.3
85.06531	2.4
86.09712	4.2
87.04469	14.7
91.05454	1.6
93.07057	1.7
95.04967	1.4
97.02897	21.4
99.04457	27.7
107.04973	1.8
109.02892	3.1
110.07166	4.7
112.07628	1.3
113.06010	20.9
114.05563	1.6
115.03934	20.9
117.05489	1.8
119.07340	4.8
121.02842	1.3
121.10114	1.2
122.06009	1.2
123.04492	1.4
124.03938	2.0
127.03939	2.3
128.07065	1.6
129.10252	3.3
130.06526	2.0
131.07039	100.0
132.04427	1.9
132.07332	1.1
133.04965	24.4
136.07616	2.6
145.04974	3.0
148.07573	1.5
150.07639	4.3
151.03955	1.3
156.07690	1.6
166.07277	2.5
169.04898	1.2
174.15869	1.1
176.03427	3.0
176.07085	5.5
177.05397	1.4
178.78903	1.1
190.08601	1.4
192.06516	1.5
193.05075	1.1
215.13841	1.9
218.04163	1.1
315.13391	6.5
320.07678	1.5
442.13416	2.2
442.20352	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
56.96563	86.9
59.36161	1.9
61.02905	1.7
62.89193	1.9
63.14259	1.8
65.64231	2.1
65.83312	2.1
69.03427	7.7
70.06590	10.2
70.12387	7.2
71.95245	5.4
72.96030	3.3
74.97622	3.6
76.67796	1.9
81.03431	3.3
81.07008	2.8
83.91489	2.1
84.08141	4.7
84.96025	6.4
85.02908	9.8
85.03901	1.9
86.09694	3.1
93.87785	1.9
97.02885	3.8
98.21372	2.2
98.97583	30.8
104.68633	2.5
105.03378	24.4
106.03741	2.3
110.97562	5.4
112.99113	3.7
116.07055	3.3
116.98601	17.6
119.01868	5.9
119.04906	2.2
123.01283	2.3
127.03907	3.9
128.97763	2.1
128.98582	11.4
129.09238	1.9
131.00182	6.6
132.98141	2.4
134.99672	6.0
135.11383	2.1
136.07581	2.4
137.02771	2.6
143.00162	6.8
146.99651	5.5
147.04370	6.0
147.85399	1.9
149.01241	3.9
150.99179	2.1
152.07069	4.7
153.02235	2.4
155.03836	2.5
157.03445	2.3
158.99629	4.7
161.01222	7.3
170.99657	4.1
171.03296	6.4
173.01202	6.4
177.00725	7.0
177.05580	3.0
183.03297	2.4
183.06793	2.2
185.01260	4.1
189.00644	4.8
189.04338	19.7
191.02242	6.0
193.03802	2.6
197.04890	7.3
197.53787	2.3
201.00706	5.8
203.02524	2.1
203.05981	4.6
207.05191	12.6
215.05980	3.0
219.01749	8.6
221.06998	4.7
223.02824	4.0
229.07454	2.9
231.01733	2.2
231.09003	2.1
235.10127	9.0
237.02745	10.4
237.13379	9.5
241.03857	5.9
251.04320	4.6
253.11102	89.0
255.14421	22.2
263.00668	3.4
271.12161	100.0
272.06842	4.3
272.12497	2.8
272.56308	2.4
276.12643	4.0
279.09106	10.3
281.01715	5.0
281.12057	3.8
287.04221	3.0
289.13101	2.2
294.13568	4.4
297.10114	56.5
299.13315	6.8
305.01871	2.5
315.11136	54.1
315.14566	4.2
320.11667	4.4
323.02795	4.4
323.13455	16.0
339.11020	3.4
341.14346	7.3
425.05927	8.8
443.09656	5.3
443.16306	4.3
468.60803	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	442.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
54.99764	0.6
55.01868	0.9
55.05492	1.1
55.82652	0.6
56.05026	1.1
57.03442	0.7
58.06579	0.7
60.04522	1.2
67.05496	1.1
69.03435	3.5
69.07068	2.5
69.77348	2.5
69.77759	1.5
70.06593	16.8
71.04967	1.0
72.08155	33.4
77.03951	0.8
79.05489	1.9
80.05016	1.0
81.03416	4.9
81.07063	1.4
82.06581	1.7
83.09579	0.7
84.04500	2.8
84.08142	4.0
85.02908	4.9
86.06064	2.9
86.09702	6.8
87.00841	1.4
87.04486	0.9
87.05550	0.7
88.37879	0.6
91.05495	0.9
93.07039	1.7
95.04979	4.9
95.08586	1.6
96.08150	1.4
97.02901	1.7
99.04450	1.9
105.03390	100.0
105.06985	1.1
106.03711	1.9
107.05003	0.7
107.08624	0.8
109.02873	1.9
110.02425	0.7
110.06039	2.7
112.07587	1.5
112.39497	0.8
116.07071	2.8
120.08107	3.3
121.02852	0.9
121.06557	0.7
122.06016	1.2
123.08078	0.8
124.07583	8.0
125.05979	0.7
126.05508	0.7
127.03929	2.8
128.07115	1.5
129.05499	0.8
129.10260	1.0
130.08679	0.9
133.10199	1.0
134.06033	1.8
136.07562	0.8
140.10748	2.6
142.08656	2.5
145.04965	2.0
152.07071	6.2
154.04962	2.2
169.12213	0.8
170.08128	7.4
176.10709	12.2
177.05482	1.0
177.84232	0.7
188.09166	4.7
194.11768	82.4
195.12106	1.6
212.16452	9.6
213.12277	1.7
214.11899	2.8
274.09219	9.1
320.18585	1.0
338.19711	0.9
356.04184	0.7
374.05518	1.1
398.21481	1.3
442.15955	1.4
442.20905	9.2
442.26636	1.2
443.15027	1.1
443.29633	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.5
55.01879	0.8
55.05511	1.5
57.03451	0.5
67.05515	0.9
67.24693	0.5
68.99797	0.6
69.03428	2.1
69.07069	1.6
69.57103	3.3
70.06590	6.6
72.08154	24.3
75.65269	0.4
77.03951	0.9
79.05496	1.1
81.03414	3.8
81.07057	0.6
82.06586	0.8
83.04977	0.5
84.04510	2.5
84.08143	2.0
85.02910	3.1
86.06086	2.5
86.09721	2.4
87.00820	0.9
88.03972	0.5
91.05482	1.0
93.07052	0.8
95.04992	3.5
95.08625	0.7
96.08136	1.3
97.02898	1.4
97.06522	0.7
98.06079	0.5
98.09672	0.6
98.21491	0.9
99.04461	1.1
105.03391	100.0
106.03731	1.7
107.04954	0.5
107.08578	0.5
108.04473	1.1
108.08109	1.0
109.02881	2.1
109.06561	0.6
110.02415	0.8
110.06037	2.7
112.07634	1.1
115.03954	0.5
116.07088	1.2
119.04901	0.6
119.08586	0.5
120.08099	0.7
121.02856	1.2
122.06020	2.0
123.04466	0.6
123.08098	0.7
124.07575	5.1
127.03913	1.7
128.07065	1.0
129.10239	1.2
132.01875	0.5
133.10091	0.8
134.05989	1.8
136.07550	0.5
138.09128	0.6
140.10709	0.7
142.08670	1.7
142.63274	0.5
143.14435	0.5
145.02785	0.6
145.04997	0.8
152.07091	4.7
159.02946	0.6
170.08121	6.4
171.06471	0.6
176.07051	0.5
176.10699	11.0
177.05354	0.5
188.09158	4.0
194.11769	82.8
195.12126	1.8
212.14630	0.9
212.16460	8.0
256.08273	0.6
265.94156	0.5
274.09189	7.3
300.78561	0.5
338.19324	0.6
374.05133	0.9
398.21814	0.8
442.14804	1.5
442.20499	7.5
443.29807	0.7
467.56369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03936	2.8
54.01246	1.3
55.05507	8.9
57.07066	3.0
62.92210	1.1
67.05495	18.2
69.07061	18.8
69.95338	5.9
70.86040	1.2
79.05488	16.1
81.06592	2.1
81.07056	42.3
83.08622	6.3
91.05460	11.3
91.22362	1.4
93.07041	40.3
95.04985	2.2
95.08603	91.8
96.08908	2.5
97.06490	1.4
97.10152	3.4
101.05181	1.1
103.05447	1.8
104.53189	1.1
105.07038	14.6
105.79262	1.3
107.08594	41.2
109.06506	1.6
109.10155	63.2
110.10483	2.7
111.08033	3.0
111.11742	6.7
117.07030	1.2
117.73609	1.3
119.08589	12.9
119.48801	1.3
121.10142	70.6
122.10493	2.3
123.08076	16.4
123.11700	30.2
125.09654	2.2
129.93378	1.2
131.08560	3.7
133.10126	14.6
135.08020	3.4
135.11682	23.4
137.13219	10.1
139.11159	3.4
145.10100	5.6
147.11699	5.0
149.09613	74.6
149.13243	25.6
150.09897	1.2
150.51294	1.2
151.11179	8.8
151.14821	2.5
157.10185	1.6
159.11693	5.8
161.13219	5.9
163.11188	4.6
163.14827	21.2
167.10675	13.5
171.11678	3.0
173.13300	5.0
175.11197	1.5
175.14787	6.0
177.12785	5.9
177.16394	5.3
179.14301	1.2
185.13219	1.4
187.14832	5.7
189.16412	4.2
191.14372	1.4
191.17982	3.6
201.16391	4.9
203.14323	4.5
203.17966	3.3
205.15862	19.1
205.19511	19.1
215.17961	4.8
217.15971	2.1
217.19576	3.5
219.17639	8.1
219.21068	24.9
231.17444	3.0
233.18979	1.4
313.28644	1.7
316.28448	1.5
397.34778	2.2
404.90927	1.2
405.35025	6.2
423.36209	38.2
424.36566	3.5
436.62643	1.2
441.37286	100.0
442.37790	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	441.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.9
53.20364	2.9
55.05511	23.5
57.07062	11.2
65.03911	2.6
67.05502	38.4
69.06734	3.0
69.07072	40.7
69.95015	10.1
71.08634	13.5
75.78104	2.6
79.05507	13.9
81.07052	63.9
83.04982	3.8
83.08627	21.6
83.47404	2.5
85.06512	4.0
85.10177	6.8
89.06023	22.1
91.05454	22.2
93.06480	3.8
93.07034	46.1
95.04991	3.2
95.08607	83.0
96.08917	4.3
97.06520	6.1
97.10155	11.5
98.20901	4.0
105.07034	43.0
107.08598	58.4
109.06465	4.6
109.10158	100.0
111.08053	3.3
111.11691	3.3
115.06747	2.6
115.07542	4.7
117.06981	5.6
119.08577	43.2
121.06505	19.1
121.10134	50.6
123.08066	4.7
123.11706	30.8
125.91648	2.4
131.08571	15.2
133.08662	12.6
133.10130	43.5
135.11693	29.4
137.09572	2.4
137.13257	15.9
143.08577	4.6
145.10123	19.9
147.08052	5.3
147.11684	48.5
149.09665	3.0
149.13246	21.2
151.11137	5.7
157.10097	5.8
159.11702	19.4
161.09491	2.6
161.13245	26.3
163.11238	4.4
163.14796	9.8
165.09074	11.2
167.10625	4.9
171.11638	3.8
173.13275	15.9
175.14809	16.9
177.12766	3.0
177.16382	4.8
179.10742	2.9
181.12213	6.4
185.13292	2.8
187.14812	6.2
189.16429	20.1
191.17943	20.7
195.13824	6.4
199.14693	3.7
201.12920	2.7
201.16331	13.0
203.17960	32.9
205.19508	7.0
207.17455	3.2
209.11699	4.0
215.17949	12.7
217.19533	26.1
219.17465	4.1
229.19539	5.5
231.20940	3.8
237.18452	7.8
243.20981	3.4
245.22627	3.6
247.20605	3.6
249.18480	8.3
271.24179	8.6
273.25366	2.9
275.20248	2.8
285.25888	5.4
289.21609	3.0
291.23196	4.3
315.17950	8.1
385.31094	6.4
399.32364	5.0
423.36487	6.0
424.35822	2.9
441.37622	68.9
442.37592	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	441.3728
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03928	2.1
55.05512	11.7
57.07071	7.4
67.05504	23.1
69.06732	2.4
69.07071	31.5
70.72179	6.8
71.04990	2.7
77.22655	2.1
79.05486	10.6
81.06590	3.7
81.07055	55.7
83.08620	10.4
85.79314	1.6
85.96805	1.8
87.04448	2.3
91.05484	8.9
93.07040	24.9
95.04975	2.2
95.08604	100.0
97.10168	9.2
101.78699	2.0
105.07021	18.4
107.08586	44.4
109.10152	77.0
110.10548	2.2
111.08071	2.7
111.11728	8.5
113.88879	1.8
117.07021	3.1
119.08575	35.1
121.06502	3.0
121.10141	54.8
123.08076	4.1
123.11692	29.0
131.08556	5.8
133.10110	25.8
133.56984	1.8
135.08070	4.3
135.11700	26.4
137.09633	3.0
137.13252	30.4
138.28868	2.0
142.21483	2.0
143.08559	3.1
145.10143	13.6
147.11655	15.8
149.09631	5.0
149.13255	19.4
151.11078	2.5
151.14783	5.8
156.09373	2.4
157.10167	7.0
159.11685	15.9
161.09688	2.5
161.13277	13.3
163.11230	2.5
163.14861	14.3
165.12753	3.3
171.11731	6.1
173.13289	15.5
173.46147	2.1
175.14795	17.0
177.12756	3.4
177.16386	11.3
179.14296	3.4
180.67589	1.9
185.13266	4.0
187.14804	13.7
189.16357	14.7
191.17918	21.2
193.12280	3.8
193.15886	3.0
193.19585	3.0
195.13721	2.1
199.14690	9.7
201.16389	7.7
203.14302	3.1
203.17993	8.9
205.15906	4.8
205.19489	19.5
213.16350	10.8
215.17960	7.1
217.15912	5.7
217.19464	11.1
219.17470	3.3
219.20999	3.7
227.17851	2.9
229.19518	5.7
231.17523	8.8
231.21008	12.7
235.16940	12.3
243.21130	4.3
245.22633	5.0
249.18575	4.4
257.22708	2.9
273.25833	3.4
277.21628	2.7
285.22391	2.6
313.25266	2.6
323.27234	2.9
337.28787	3.4
363.84497	2.2
363.90323	2.4
405.35138	44.5
423.36255	28.8
424.36911	3.5
441.37314	77.4
442.37900	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	441.3728
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
51.49856	1.9
55.05499	8.3
55.26680	1.8
57.07072	7.3
62.98661	2.1
67.05180	2.6
67.05504	21.4
69.07062	11.7
70.34448	7.1
72.07529	2.0
72.13409	2.1
79.05485	6.3
81.06596	4.5
81.07059	70.3
83.08618	6.5
86.62566	1.9
91.05432	4.0
93.07024	16.6
95.08606	100.0
97.10163	6.0
105.07038	9.7
107.08594	18.3
108.08924	2.2
109.10159	37.7
111.08048	2.1
111.11726	2.7
119.08576	10.7
121.10147	20.0
123.11710	27.5
131.08578	6.0
133.10121	11.0
135.11746	9.5
137.12201	4.0
137.13258	80.9
145.10132	8.4
147.11684	10.3
149.09590	4.2
149.13272	15.0
149.24606	1.9
151.14807	7.7
159.11658	5.7
161.13263	8.9
163.14847	7.2
167.10748	2.4
173.13289	6.6
175.14821	6.9
177.12785	2.3
177.16399	4.1
179.17987	4.4
187.14827	7.0
189.16383	6.7
191.17955	7.1
193.15814	2.7
193.19576	3.6
201.16362	4.6
203.17978	4.4
205.19571	4.0
207.13911	2.4
215.17911	5.1
217.19463	10.9
219.20998	2.5
221.15373	3.4
229.19469	3.0
235.16875	4.4
241.19591	2.5
243.21056	3.4
247.16895	5.0
261.18481	5.6
273.22034	3.0
275.20261	2.3
289.21521	6.5
303.23407	4.4
305.92953	2.2
317.51160	2.1
339.15280	2.3
367.33560	7.4
405.34824	2.3
423.36630	9.6
441.37430	51.9
442.37784	3.8
444.45087	2.0
446.06290	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	441.3728
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
51.49109	1.7
53.03943	2.5
54.27341	1.6
55.01860	1.5
55.05508	21.3
55.70728	1.6
57.07071	9.9
59.04989	1.8
67.05498	32.2
69.07069	40.3
69.18443	18.2
71.04986	3.2
71.08634	3.2
76.80666	1.5
77.05325	1.5
78.04734	1.8
79.05493	22.5
81.07055	68.6
83.04980	5.2
83.08619	19.8
85.06536	5.9
91.05466	14.7
93.07040	45.7
95.04958	4.7
95.08604	100.0
97.06523	6.0
97.10161	9.9
99.04449	3.7
99.08073	2.3
101.05975	1.9
105.07029	39.7
107.08590	75.6
109.06517	4.2
109.10155	87.9
111.08047	3.8
111.11697	6.7
115.07555	2.3
117.07008	3.6
119.08576	49.0
121.10145	64.0
123.08076	3.1
123.11707	28.8
125.09616	14.4
131.08560	12.8
133.10132	47.2
135.08006	5.9
135.11699	36.1
137.09612	2.8
137.13271	13.7
143.08501	4.3
145.10117	23.2
147.07939	1.8
147.11681	42.1
149.09648	3.3
149.13254	39.0
149.14360	1.1
151.11157	4.3
151.14758	2.9
153.09097	3.7
157.10170	4.4
159.11696	29.0
159.12996	1.3
161.09543	3.1
161.13246	29.2
163.11166	5.1
163.14821	14.4
165.12680	3.7
165.33942	1.7
167.10675	6.3
169.10062	2.0
171.11621	3.0
173.13249	15.6
175.14828	19.4
177.12753	6.0
177.16389	13.1
180.61539	1.8
181.12219	6.8
183.68849	1.4
184.07468	1.7
185.13264	4.8
187.11148	1.6
187.14801	10.8
189.12717	1.9
189.16393	19.2
191.17943	16.2
195.13812	6.7
197.13165	2.1
199.14810	3.8
201.16380	13.4
203.14264	2.7
203.17952	27.8
205.15877	4.9
205.19545	6.6
207.17441	3.1
209.15385	1.6
211.14970	2.1
213.16368	5.1
215.14667	2.0
215.17902	11.3
217.19508	28.9
218.19746	1.6
219.17535	5.3
223.16901	5.9
225.16486	2.0
229.19531	6.8
231.17340	2.0
231.21074	5.1
233.15465	1.8
233.18922	2.2
237.18521	6.1
243.21078	3.5
245.22618	4.9
249.18538	3.2
251.20006	2.4
255.20923	2.2
257.22650	3.5
259.24316	1.7
261.18570	2.6
271.24182	6.6
275.20099	2.7
285.25754	8.5
315.57095	1.7
329.28424	2.2
331.26151	2.0
399.32550	2.1
405.35336	3.3
423.36823	14.1
441.32150	6.5
441.37915	69.3
442.37738	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
52.40359	2.1
55.05495	8.4
62.39814	1.9
67.05490	6.9
69.07073	20.5
70.72655	6.6
79.05470	6.4
81.07055	26.7
83.08608	5.7
84.28440	2.3
87.04501	3.0
91.05489	7.2
93.07044	15.7
95.08612	63.7
97.06522	3.2
97.10158	6.2
105.07010	10.9
107.08591	25.0
109.10166	41.4
111.08070	4.2
111.11710	8.9
119.08573	26.4
121.10139	36.2
123.11703	27.8
125.09538	2.5
131.08598	4.5
133.10149	19.7
135.08052	3.6
135.11681	22.3
137.09610	2.9
137.13254	13.7
145.10138	6.5
147.11668	10.2
149.13234	17.5
151.14824	3.5
157.10132	5.7
159.11687	14.4
161.13245	14.5
163.14819	9.4
165.09160	2.6
165.12802	4.4
171.11690	7.3
173.13222	11.9
175.14795	10.6
177.12964	2.4
177.16382	9.7
179.17867	2.4
183.11662	2.4
185.13364	3.5
187.14812	10.4
189.12704	3.2
189.16411	12.6
191.17969	16.4
193.15836	4.6
193.19513	5.4
199.14803	7.9
201.16426	7.4
203.17957	9.2
205.15944	5.1
205.19510	12.5
207.17474	3.4
213.16411	9.6
215.18018	5.4
217.15878	5.5
217.19522	9.7
218.14279	2.3
219.17458	3.6
219.21075	6.7
220.14174	5.0
225.16321	2.9
227.17964	2.4
229.19507	4.2
231.17473	7.0
231.21043	22.4
233.18788	2.8
235.16869	17.8
241.19608	2.5
245.22644	4.5
249.18575	3.5
255.21144	3.2
269.22705	9.6
280.97525	2.5
283.24225	2.9
295.24228	3.7
299.27484	3.8
309.25739	5.5
321.25690	3.3
345.27869	6.7
357.27451	2.5
365.32263	2.8
395.36624	4.7
405.35165	40.9
406.35797	2.9
423.36279	37.2
441.37314	100.0
442.37689	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
50.42747	1.7
50.85743	1.9
55.05513	11.7
57.07071	5.1
67.05508	23.7
69.03447	2.0
69.07069	30.6
70.07372	2.1
74.25214	1.5
79.05490	14.3
79.52673	1.7
81.07053	45.7
83.08628	8.9
86.47074	2.2
91.05461	11.6
93.07036	36.8
95.04990	3.7
95.08606	100.0
96.08933	4.5
97.10195	4.0
98.21574	2.9
101.43712	1.8
105.07047	21.1
107.08595	54.2
108.08939	2.4
109.06537	4.3
109.10156	76.6
110.93130	2.0
111.08112	2.6
111.11726	10.0
117.07023	3.9
119.07732	1.4
119.08578	31.9
121.10148	74.9
122.10491	3.2
123.08077	13.4
123.11700	39.4
125.12254	2.1
131.08598	5.3
133.10126	24.1
135.08040	10.9
135.11691	27.0
137.09613	2.7
137.13255	17.7
139.11209	2.3
145.10124	10.7
147.11728	12.7
149.09634	48.7
149.13266	29.5
150.09969	2.7
151.11208	5.6
151.14867	6.4
157.10138	6.3
159.11674	16.0
161.09726	1.9
161.13269	11.0
163.11206	3.5
163.14832	22.7
167.10730	7.9
169.32762	1.9
171.11731	7.0
173.13287	8.2
175.14821	10.5
177.12808	5.6
177.16373	12.2
185.13274	4.4
187.14827	9.5
189.16418	7.9
191.14375	2.5
191.17900	8.9
199.14857	5.1
201.16412	7.6
203.14412	3.1
203.18002	8.4
205.15974	10.3
205.19501	20.3
207.17552	5.4
213.16307	2.6
215.18057	4.6
217.15933	2.8
217.19528	3.5
219.17490	6.1
219.21034	15.0
227.17995	4.0
229.19566	4.5
231.17491	3.9
231.21034	3.3
233.19112	2.5
243.21036	3.2
253.19572	2.7
273.25851	7.9
281.22797	2.6
287.23782	6.8
405.35214	13.1
423.36243	43.5
441.37329	96.6
442.37720	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	441.3729
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.03940	3.3
55.05303	2.4
55.05513	22.4
57.07068	9.8
64.70892	2.0
67.05507	35.4
69.07069	44.2
69.72012	13.7
71.08609	4.0
79.05485	22.6
81.07059	76.9
83.04974	4.8
83.08620	22.9
85.06523	4.5
90.07224	2.0
91.05476	22.8
93.06480	4.3
93.07043	59.0
95.04967	2.9
95.08607	100.0
97.06538	7.0
97.10172	14.3
99.04454	6.0
101.06030	4.7
105.07032	46.6
107.07876	5.0
107.08588	79.0
109.06498	5.9
109.10155	81.8
110.10461	2.4
111.08066	3.5
111.11733	5.1
115.07543	2.7
117.07018	5.5
119.08578	50.2
121.06478	4.8
121.10145	68.1
123.08083	6.3
123.11706	47.2
125.09609	3.3
127.07532	2.6
127.95827	2.2
131.08545	15.0
133.10124	45.9
135.08061	7.2
135.10715	3.1
135.11690	51.8
137.09650	4.9
137.13257	17.4
143.08524	3.4
145.10133	21.0
147.11681	44.4
149.09595	6.4
149.13245	32.2
151.11148	3.4
151.14832	4.7
153.09131	5.0
157.10152	5.0
159.11688	29.0
161.13269	31.3
163.11183	6.7
163.14790	15.6
167.10620	11.8
171.11685	6.3
173.13271	14.9
175.14856	18.4
177.12703	2.6
177.16377	7.8
179.14291	2.5
181.12234	9.6
185.13260	5.4
187.14824	13.1
189.16362	18.5
191.17984	20.7
193.12207	2.7
195.13788	10.0
197.13237	2.1
199.14801	3.7
201.16379	11.9
203.17947	36.1
205.15834	3.2
205.19499	8.4
207.17220	2.5
213.16428	2.9
215.14287	3.0
215.17981	14.6
217.19516	24.1
223.16969	4.8
229.19502	7.5
230.20058	2.5
231.21097	8.1
233.19041	5.7
235.16795	2.3
237.18524	7.7
241.19580	2.5
243.21167	2.8
245.22745	4.5
249.18405	3.2
257.19366	2.2
257.22635	3.5
261.18561	2.2
263.20020	3.3
269.22623	3.3
271.24271	12.0
275.20187	5.1
285.25739	9.3
289.21719	3.6
343.26392	3.8
371.29266	2.9
385.31104	3.0
423.36560	13.5
441.37570	99.4
442.37582	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	441.3724
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05512	1.9
57.07061	0.3
67.05504	4.2
69.03418	0.4
69.07071	4.2
71.26350	0.4
79.05492	1.5
81.07056	6.2
83.04993	0.3
83.08607	1.1
91.05486	0.9
93.07042	5.1
95.05002	0.6
95.08608	12.0
97.10155	0.8
105.07021	2.3
107.08599	4.1
109.06501	0.3
109.10155	19.3
110.10508	0.3
111.11718	1.6
119.08567	2.5
121.06492	1.0
121.10140	17.2
122.10463	0.3
123.08039	0.5
123.11697	3.9
131.08542	0.6
133.10149	2.1
135.08038	2.0
135.11699	3.2
137.09561	0.2
137.13245	2.1
139.11259	0.3
143.08551	0.4
144.76746	0.3
145.10121	1.2
147.08041	0.9
147.11630	1.9
149.09610	1.0
149.13225	2.2
157.10074	0.3
159.11708	0.8
161.09612	1.0
161.13222	1.3
163.14836	3.1
165.09152	0.6
166.48007	0.3
173.13249	1.0
175.14783	1.7
177.12823	0.6
177.16371	1.2
185.13300	0.3
187.14862	0.8
189.12808	0.7
189.16356	0.8
191.14307	0.4
191.17958	0.6
195.49438	0.3
199.14865	0.5
201.16351	0.5
203.14349	1.9
203.18039	0.6
205.15939	0.9
205.19550	1.2
215.17902	0.3
217.15916	0.8
217.19487	0.4
219.21024	0.4
231.70415	0.3
259.20572	0.3
273.25793	0.6
287.23703	0.6
292.61972	0.3
405.35175	1.1
423.36124	1.6
441.37271	100.0
442.37573	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
50.31521	0.7
53.03937	1.8
55.05511	3.5
57.07076	1.2
58.99422	0.7
64.77507	0.9
65.03925	0.9
67.05502	10.1
69.07069	7.1
71.26041	1.3
79.05495	9.9
81.07054	20.9
83.08616	3.6
91.05457	5.0
93.07050	28.5
93.07641	1.8
94.07372	1.0
95.04979	1.6
95.08607	45.1
97.10155	1.9
98.30857	0.7
105.07039	7.6
106.01668	0.8
107.08597	19.4
107.35442	0.7
109.06565	1.2
109.10155	36.0
111.11730	3.0
119.08527	3.9
121.06541	1.0
121.10147	48.1
122.10460	1.1
123.08096	2.2
123.11704	21.7
124.12082	0.8
131.08601	1.7
133.06573	0.9
133.10159	2.9
135.08025	1.7
135.11696	9.4
137.13251	3.7
139.11208	4.5
145.10164	1.5
147.08124	1.1
147.11690	2.2
149.09621	100.0
149.13251	18.7
149.14394	1.5
150.09944	2.8
151.11177	8.6
157.71167	0.9
159.11670	1.0
161.09650	1.7
161.13225	1.6
163.11174	5.5
163.14810	13.6
164.15149	1.0
167.10681	8.8
173.13316	1.1
175.14839	1.9
177.12776	6.1
177.16420	1.9
187.14845	2.3
189.16417	1.4
191.17970	1.9
203.14360	3.4
205.15872	17.4
205.19511	7.2
206.16364	0.8
217.15991	1.9
219.17645	5.7
219.21069	15.2
231.17436	1.6
245.19133	0.9
287.24146	1.0
405.35294	1.1
419.04626	0.9
423.36203	29.8
424.36829	2.0
441.37299	34.8
442.37631	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	441.3724
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
50.20863	1.4
52.21919	1.0
55.05511	3.1
56.08579	1.1
57.07057	2.0
61.66698	1.0
65.71477	1.0
66.05047	1.0
67.05489	4.9
69.03423	3.0
69.07067	8.1
69.87570	6.3
71.02532	1.1
79.05472	3.2
81.07062	17.2
83.04970	4.9
83.08604	4.1
91.05481	3.3
93.07047	10.8
95.04967	2.7
95.08613	30.1
97.06541	1.2
97.10174	3.0
98.21580	1.3
105.07029	9.9
107.08594	20.0
109.06525	2.0
109.10162	17.8
111.08086	2.5
111.11713	3.1
119.08586	13.5
121.06487	2.3
121.10146	17.1
123.08060	4.6
123.11719	12.6
125.09591	1.4
131.08582	2.0
133.10144	13.3
135.08089	6.3
135.11685	17.4
137.09595	2.5
137.13272	7.9
139.11186	2.0
143.08545	1.3
145.10130	3.8
147.11678	9.2
149.09630	24.9
149.13249	7.6
151.11182	1.8
157.10132	1.3
159.11708	4.9
161.09644	2.0
161.13318	5.2
163.11169	3.3
163.14828	4.4
167.29262	1.1
171.11646	2.0
173.13283	4.2
175.14818	6.6
175.52176	1.1
177.12782	2.1
177.16351	7.0
179.14305	1.5
187.14771	2.9
189.12790	1.1
189.16396	14.0
191.17914	8.8
193.15955	1.0
203.17940	1.4
205.04825	1.2
205.15897	1.7
205.19559	3.1
213.16505	2.6
215.18040	5.9
217.15965	2.5
231.17542	2.0
233.18985	7.1
235.16951	20.0
243.21194	1.6
259.23901	1.1
261.22125	1.4
269.22540	2.3
287.23682	15.7
423.36343	1.8
441.37299	100.0
442.37640	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	441.3724
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05504	13.1
56.93406	4.1
57.07043	4.9
66.79796	4.0
67.05499	22.5
69.07079	28.2
69.32820	8.8
69.33236	31.9
79.05482	13.6
81.07058	53.4
83.08609	11.5
91.05454	8.1
93.07050	28.7
95.08604	100.0
97.10145	8.8
105.07019	19.8
107.08588	74.9
109.10150	83.3
111.11719	13.4
119.08578	52.2
121.09309	8.2
121.10141	79.2
123.11713	39.4
133.10110	17.4
135.08058	31.5
135.11707	21.7
137.13245	19.1
145.10085	12.1
147.11670	13.1
149.09621	23.8
149.13243	19.3
151.07707	5.3
151.14801	5.5
157.10104	8.0
159.11703	12.0
160.16364	4.9
161.13214	9.4
163.11247	4.3
163.14865	22.6
163.15941	4.2
171.11647	7.7
173.13322	5.0
175.14812	6.3
177.16359	14.4
185.13214	7.5
187.14839	5.6
189.16302	9.4
191.17947	10.5
199.14854	11.3
203.18018	7.2
203.58638	5.0
205.15874	9.2
205.19489	34.5
213.16397	6.2
217.19504	8.3
219.21071	9.4
241.19299	5.6
273.25739	31.1
295.24500	6.1
302.01486	4.8
405.35190	11.1
408.78650	4.4
423.36243	27.6
441.37268	70.6
464.18909	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	441.3724
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05512	3.7
57.07061	1.7
67.05502	6.8
69.07069	10.8
70.78854	2.1
70.79195	1.6
79.05489	3.9
80.18080	1.2
81.07057	19.0
83.08604	2.7
91.05470	1.8
93.07056	9.0
95.08005	1.3
95.08604	27.5
97.10153	1.9
101.53904	1.0
105.07038	3.6
107.08579	13.5
109.10160	23.3
111.11715	5.0
112.35777	1.0
119.08559	5.9
121.10136	13.9
123.08096	1.4
123.11704	15.0
124.32240	1.4
125.09680	1.4
131.08614	1.4
133.10133	4.0
135.08038	2.4
135.11697	7.6
137.09608	2.4
137.13269	6.2
142.36667	1.3
143.08502	1.3
145.10115	2.5
147.11691	3.9
149.09660	2.5
149.13255	8.3
151.11209	1.3
151.14848	1.7
159.11694	1.9
161.13263	4.3
163.11203	1.8
163.14821	4.6
171.11749	1.2
173.13249	2.4
175.11237	1.4
175.14868	3.4
177.12833	1.3
177.16400	2.7
180.55438	1.1
187.14862	1.4
189.16385	3.1
191.17963	2.6
203.17941	1.4
205.19604	3.6
217.15910	1.6
217.19568	1.4
229.19588	1.3
231.17400	2.2
235.16899	1.8
249.18626	2.1
273.25787	2.5
277.28369	1.2
281.92975	1.2
287.23734	1.8
299.27353	3.8
301.25214	3.1
382.74551	1.2
423.36295	3.3
441.37280	100.0
442.37912	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.01874	2.9
55.05512	15.3
57.03429	2.3
57.07059	4.7
57.48548	1.6
59.04986	2.8
61.57034	1.4
62.34017	1.3
65.03936	2.3
67.05505	20.6
69.03433	4.2
69.07072	24.8
70.06580	4.0
71.04991	5.1
71.51612	1.4
71.52034	2.2
79.05499	18.7
79.49622	1.5
81.03410	4.7
81.07063	30.2
81.12402	1.4
83.04977	5.7
83.08627	9.8
84.08120	3.3
85.02898	4.0
85.06543	12.7
86.09718	2.5
87.04469	2.2
87.33616	1.5
87.75652	1.4
91.05482	24.6
93.07047	22.8
95.04959	6.3
95.08614	29.1
96.08143	1.7
97.02885	2.1
97.06522	5.8
97.10174	3.0
99.04470	3.1
103.05453	2.4
105.07034	31.9
107.04906	2.0
107.08596	26.8
109.02859	8.9
109.06489	8.0
109.10159	14.4
111.08057	4.7
113.06030	1.8
115.05483	3.6
117.07005	9.2
119.04973	3.0
119.08583	30.6
120.04491	1.9
120.08936	2.1
121.02852	1.6
121.06522	7.4
121.10140	19.0
122.10442	1.8
123.08097	8.2
123.11686	5.0
125.09616	1.8
127.03935	2.7
127.07580	4.1
128.06195	3.4
129.07013	8.6
130.07927	1.6
131.04909	2.9
131.08585	22.0
132.05724	1.7
133.06493	4.2
133.10124	27.7
135.08049	6.4
135.11687	8.0
137.05969	3.4
137.09637	3.8
141.06964	4.8
141.09076	2.5
142.07796	4.1
143.08592	17.4
144.05763	1.8
144.09262	2.6
145.06490	19.2
145.10143	29.0
145.11276	1.8
147.08017	5.1
147.11707	15.5
149.09630	5.4
149.13246	2.8
151.03867	3.7
151.07526	3.1
153.09038	2.4
154.08635	2.6
155.07280	1.8
155.08498	11.4
156.09322	5.6
157.06482	4.0
157.10129	25.2
158.10789	2.2
159.08044	6.2
159.11697	17.5
161.06039	2.8
161.09596	4.4
161.13249	5.2
163.07629	3.1
163.11156	3.4
163.14830	2.3
165.05693	1.6
165.07033	3.0
165.09129	10.1
167.07162	2.6
167.08559	6.0
168.09343	2.9
169.06429	2.3
169.10092	15.2
170.10892	4.4
171.08005	5.3
171.11691	25.1
173.09575	3.8
173.11911	1.6
173.13298	9.7
175.07549	2.8
175.11208	3.9
175.14839	4.9
177.12709	1.7
179.08600	3.9
179.10704	3.8
180.09354	2.4
181.10141	7.5
182.10904	2.5
183.08112	2.1
183.11676	14.4
185.09616	4.6
185.13255	15.3
186.13927	2.3
187.14839	6.0
189.09073	3.0
189.12828	3.4
189.16373	2.7
191.10722	3.2
193.04991	5.3
193.10149	2.6
193.12285	2.1
194.10995	3.5
195.08073	2.5
195.11703	14.9
196.12282	2.1
197.09619	3.1
197.13271	17.6
199.11215	4.5
199.14871	9.4
201.09120	3.8
201.12675	2.3
201.16371	2.1
203.10719	3.9
203.14424	3.0
205.12234	3.2
207.08183	1.5
207.11768	6.3
208.12355	2.2
209.09668	3.8
209.13287	13.8
210.13980	3.0
211.11180	4.2
211.14778	10.7
213.09235	2.4
213.12773	2.9
213.16441	2.7
215.10675	2.5
215.14272	1.8
215.18068	2.2
217.12224	4.6
219.13731	3.1
221.13213	5.6
221.15379	4.7
222.15750	4.4
223.11281	3.0
223.14885	12.2
224.15562	3.8
225.12672	2.6
225.16370	4.9
227.10754	3.1
227.14345	3.8
227.17859	1.9
229.12198	3.0
231.13779	6.8
232.12953	2.0
233.13405	2.9
235.14888	3.8
237.12732	4.7
237.16451	5.3
239.14294	2.8
239.17908	2.6
241.12300	2.2
249.16486	3.1
251.17928	3.8
255.13733	17.6
257.15369	5.7
259.16980	4.7
263.17871	2.0
264.18710	2.0
265.09119	1.9
265.19528	4.6
269.15366	2.6
271.16888	3.2
273.14703	8.4
283.16931	2.7
293.19116	1.6
297.14746	4.3
299.16382	3.4
299.19925	2.4
300.20331	4.3
301.17950	3.6
307.17001	2.1
307.20566	3.0
309.18448	3.8
311.16440	4.6
311.19980	2.3
313.14420	2.2
313.17957	3.4
325.17993	5.2
327.19534	5.6
335.20105	2.2
339.19495	9.6
339.23157	3.0
349.21469	7.6
349.25336	1.8
351.23340	2.1
353.21152	3.9
355.22781	7.8
359.23526	2.4
361.21844	2.4
367.22668	14.8
371.18491	3.8
373.20004	6.6
377.24707	5.7
379.22653	2.5
381.24277	29.3
385.19968	4.3
395.25674	12.7
395.33282	4.2
397.29382	1.6
399.21695	3.6
405.24268	6.6
423.25345	14.4
441.11789	3.5
441.20093	6.7
441.26337	100.0
441.32959	4.3
442.26904	7.8
461.88989	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.05514	32.3
57.07081	6.3
58.90282	4.3
65.03948	6.4
67.05500	49.2
68.05858	4.9
69.03432	34.4
69.07063	34.3
70.06597	22.2
71.04999	12.5
72.08170	6.2
79.05498	49.1
79.29716	4.8
81.03423	21.8
81.07056	100.0
83.04974	14.9
83.08614	15.0
84.04504	6.6
84.08141	9.7
85.02899	15.8
85.06554	15.2
91.05477	59.5
93.07043	67.7
95.04966	18.4
95.08081	3.1
95.08605	89.5
97.02872	6.9
97.06548	15.8
97.10191	11.5
99.04462	7.7
103.05460	5.1
105.03373	11.5
105.07021	67.7
107.04946	12.9
107.08601	79.2
108.08109	6.1
109.02879	21.3
109.06517	20.9
109.10162	50.7
111.04497	5.5
111.08076	7.2
117.07040	16.7
118.97104	4.8
119.08586	81.5
121.02821	6.8
121.06529	26.9
121.10144	41.3
123.08073	13.6
123.11684	13.2
125.06005	6.4
125.09656	9.7
127.03906	5.7
128.06219	6.8
129.07002	22.2
131.04973	7.9
131.08563	38.7
133.06479	12.9
133.10153	62.7
135.08058	21.6
135.11707	21.9
136.06288	5.0
137.05974	6.9
137.09592	11.0
137.13234	8.0
141.06984	11.5
142.07771	10.5
143.08546	34.5
145.06496	53.5
145.10127	47.2
147.04410	7.2
147.08040	15.0
147.11700	32.2
149.09660	13.1
149.13274	19.2
151.07552	8.9
153.06973	8.6
153.09055	7.0
154.08678	10.9
155.08580	25.0
156.09338	17.9
157.10152	47.6
159.08047	21.4
159.11719	33.2
161.05989	7.7
161.09650	20.3
161.13245	22.0
163.07535	6.0
163.11147	5.8
163.14825	6.2
165.05490	5.3
165.06903	6.6
165.09111	22.8
167.08594	17.2
169.06491	5.9
169.10155	26.0
170.10881	5.0
171.08073	15.8
171.11693	33.5
172.08723	5.0
173.09636	21.8
173.13286	20.4
175.11195	12.2
175.14824	13.3
177.09132	6.3
177.16449	7.8
179.08582	11.8
181.10123	19.9
182.10843	8.2
183.08090	9.4
183.11639	26.9
185.09654	18.6
185.13281	20.5
187.11198	8.7
187.14838	11.0
189.12695	6.2
189.16446	10.0
191.10742	9.7
191.14316	5.7
191.17921	4.8
193.04906	10.9
193.10138	12.8
194.10960	9.6
195.08046	5.8
195.11763	35.8
196.12239	6.3
197.09531	9.7
197.13222	35.9
199.11215	18.3
199.14819	13.5
201.09113	10.9
201.12910	6.5
201.16364	8.2
203.10632	6.5
203.17958	17.1
206.10904	5.9
207.11714	15.2
208.12352	5.2
209.09637	11.3
209.13327	18.7
210.13962	5.1
211.11301	10.7
211.14890	8.6
213.09093	7.5
213.12816	13.7
213.16418	5.4
215.10728	11.8
215.17981	6.5
215.79935	4.9
217.12108	7.1
219.11711	10.3
221.13293	21.3
221.15289	5.8
222.13988	5.9
223.11153	11.1
223.14870	13.6
224.11960	6.1
225.12737	10.2
225.16432	5.6
227.10710	6.3
227.14285	10.4
227.17921	5.4
231.13799	5.6
233.13277	15.3
233.15372	6.3
234.13844	5.9
235.11230	7.5
235.14867	11.0
237.12730	12.1
238.13390	6.0
239.14206	8.7
241.12273	6.4
243.10078	5.4
243.13805	7.2
245.13351	8.5
247.11092	6.4
247.14758	9.9
249.16383	9.9
249.73331	5.1
251.10802	4.9
251.14343	6.4
255.13844	47.5
257.15527	6.5
259.14862	5.6
260.15884	5.2
263.14432	10.4
265.15744	9.8
273.14758	22.0
277.15759	5.4
281.15430	8.7
289.19504	6.1
291.17459	5.3
293.15549	5.8
297.14856	14.9
297.18295	11.1
299.20142	7.4
305.15302	5.8
309.18481	14.1
311.16614	8.9
311.19968	5.6
317.19043	7.7
332.15857	5.9
335.20041	26.5
337.17847	8.5
339.12753	5.7
345.18527	7.7
349.21616	32.8
351.23346	8.8
353.17398	7.4
353.21320	10.9
359.20096	16.5
363.19751	14.4
367.22598	37.0
377.21088	44.8
379.22842	9.4
381.20569	18.2
385.23541	5.7
387.19617	12.9
395.22308	55.7
405.20297	34.9
405.25064	5.9
423.21585	69.7
423.31958	8.9
435.70413	4.9
441.21457	27.0
441.26901	37.8
441.37653	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	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.7
54.13058	1.7
55.01857	4.3
55.05511	15.7
57.03424	7.2
57.07067	4.7
58.30548	1.7
59.05013	2.3
60.95038	1.7
61.02908	4.5
61.31757	1.8
65.81358	2.0
67.05180	2.7
67.05508	31.3
68.99786	7.1
69.03433	54.4
69.03813	2.7
69.06731	2.3
69.07070	29.9
69.29622	5.6
69.30042	11.7
70.06586	4.5
71.01364	1.9
71.04995	11.0
73.02923	2.2
77.84251	1.8
79.05486	9.2
81.03425	56.4
81.07063	30.2
83.04989	19.2
83.08617	9.2
85.02908	34.4
86.09690	2.4
87.00829	12.9
91.05479	14.1
93.07040	21.5
95.04951	8.2
95.07992	2.7
95.08610	52.4
97.02890	13.1
97.06516	6.2
97.10155	4.1
99.04478	12.4
99.08094	3.6
103.03903	2.7
105.01846	3.1
105.07040	20.0
107.04987	2.6
107.08593	25.8
107.31797	2.2
107.87093	1.8
109.02881	45.3
109.06509	13.6
109.10159	79.4
111.04442	3.1
111.08095	11.0
115.03889	3.9
117.06942	2.7
119.08589	39.0
121.06494	4.7
121.10149	50.7
123.08070	24.7
123.11718	9.3
125.09651	5.4
127.03918	100.0
129.01843	5.0
129.07019	2.8
131.08559	7.2
133.06483	2.5
133.10138	23.2
135.08040	5.0
135.10699	3.6
135.11693	48.8
137.05957	5.8
137.09619	44.4
138.10374	2.4
139.07539	2.3
139.11169	25.3
143.08604	3.4
145.04951	4.5
145.10089	7.4
147.08052	3.9
147.11688	7.0
149.09633	4.0
149.13269	13.3
151.07561	3.3
151.11179	6.4
151.14818	9.2
153.09091	2.0
157.10132	5.3
159.02919	2.3
159.07918	3.2
159.11684	3.4
161.09613	6.9
161.13239	5.1
163.07465	4.3
165.09103	4.5
171.11603	2.5
173.09596	3.5
173.13210	3.2
175.07530	2.0
175.11224	6.1
175.14825	33.1
176.07062	2.7
176.39452	2.0
177.09068	2.6
177.12726	3.3
177.16389	2.2
181.08525	2.3
187.11153	2.1
187.14926	3.5
189.09134	2.0
189.12825	3.4
191.10738	2.9
191.14259	2.9
193.04958	2.7
193.15894	63.6
201.12762	3.2
203.10748	3.0
205.15868	2.5
211.16980	7.1
213.03925	34.7
217.12238	3.2
221.15323	9.0
223.16891	2.4
231.04939	9.7
245.15385	11.6
277.17987	2.1
283.16833	3.6
301.17920	7.5
319.18997	6.6
337.19946	4.5
355.20911	2.1
379.21243	4.2
397.18240	6.2
405.19028	14.5
423.20218	24.9
441.16437	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01861	3.5
55.05507	8.6
57.07060	3.2
61.02919	3.2
67.05503	10.1
68.99782	2.0
69.03433	15.7
69.07072	17.3
70.06582	6.2
71.04976	3.5
71.51799	2.5
73.02866	1.5
79.05463	6.0
81.03414	11.7
81.07053	15.8
83.04971	5.9
83.08620	4.5
84.08138	2.6
85.02904	23.6
85.06526	5.8
87.00828	12.2
89.69460	1.8
91.05486	12.4
93.07047	18.9
95.04956	4.9
95.08614	20.8
97.02905	15.8
97.06518	1.9
97.10143	2.0
99.04459	3.5
101.02400	2.6
102.02442	2.0
103.05444	2.0
105.01868	10.4
105.03357	2.5
105.07036	18.8
107.08594	31.2
109.02883	9.6
109.06511	4.0
109.09585	1.7
109.10169	17.8
111.08064	3.3
113.02408	1.9
115.03944	2.4
116.10719	4.7
117.07020	3.5
119.08582	41.5
120.04339	1.4
121.06496	2.5
121.10137	40.3
121.11829	1.5
123.08050	3.5
123.11706	4.0
125.02336	6.5
125.09617	2.6
127.03916	17.8
131.08548	7.8
133.10138	38.3
134.10777	1.7
135.08058	2.7
135.11705	11.1
137.05913	1.9
137.09613	4.6
143.03394	2.3
143.08531	2.4
143.77525	1.9
144.99887	1.6
145.04886	2.5
145.06421	1.8
145.10098	10.0
147.04317	2.1
147.11696	12.8
148.12015	2.1
149.09576	3.4
149.13274	3.1
157.10130	5.2
159.02895	4.4
159.11681	6.5
161.13222	10.5
163.07457	1.8
163.14796	2.4
171.11679	3.3
173.13245	5.9
175.14833	100.0
177.16388	38.7
183.11736	2.2
185.13295	2.2
187.14827	10.9
189.16434	3.3
193.05029	8.9
193.15875	8.5
201.09128	3.5
205.15904	28.4
207.06491	1.8
213.09131	2.2
227.10553	2.3
231.04974	5.0
240.11481	2.9
255.13782	7.5
265.15726	1.8
283.16998	2.1
289.05273	2.7
301.18063	3.6
319.11624	1.8
326.23203	2.1
327.23383	5.0
386.97678	2.0
397.18460	2.3
405.19308	2.9
441.17047	4.7
441.25937	2.3
441.30301	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	441.1731
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
53.03951	0.6
55.01870	0.6
55.05487	1.7
57.03418	0.5
66.91959	0.4
67.05487	1.9
68.85778	0.4
69.03423	1.9
69.07062	1.4
70.06592	6.6
71.52258	0.4
71.52637	0.8
72.08146	1.9
73.02908	0.5
78.47005	0.5
79.05471	1.8
81.03420	3.2
81.07049	2.5
83.04964	0.8
83.08616	0.7
84.04481	0.7
84.08165	0.6
85.02910	3.2
85.06538	1.3
86.09702	2.9
87.00807	0.8
91.05456	1.4
93.07035	3.9
95.04931	0.9
95.08582	3.2
95.37301	0.5
97.02905	1.1
97.06522	1.1
99.04395	1.1
100.35818	0.4
105.03358	0.5
105.07014	2.2
107.08585	3.8
109.02894	2.7
109.06507	0.6
109.10175	2.6
112.07579	1.1
119.01910	0.5
119.08582	1.7
120.08099	1.0
121.06513	0.6
121.10162	1.4
122.88455	0.5
123.08025	0.7
123.11732	0.6
125.09581	0.5
127.03896	3.0
131.08591	0.7
133.10123	3.0
135.04469	0.6
135.08049	1.1
135.11694	1.5
136.06194	1.4
137.09602	1.3
139.60493	0.5
142.07838	0.5
143.08531	0.7
145.04929	0.8
145.06525	0.5
145.10107	0.9
149.09579	0.5
149.13266	0.7
155.57515	0.5
157.10149	0.7
159.11589	0.5
161.02983	0.9
161.09644	0.6
163.03970	0.7
163.11169	0.5
175.07593	0.6
175.11139	0.7
175.14790	1.1
177.12659	0.5
183.11377	0.4
191.14223	0.7
193.04990	1.5
193.12039	3.1
193.15912	0.7
203.05331	0.6
208.02846	0.4
213.15958	0.7
218.84116	0.5
227.05255	0.5
229.15729	0.6
243.04790	1.6
245.06332	1.7
255.13757	0.5
271.06128	1.6
272.06235	0.6
287.03751	6.6
289.05261	13.2
295.79828	0.4
337.16205	0.7
355.17371	4.8
379.17227	2.4
397.18326	32.3
398.18701	1.8
405.09601	0.5
423.16196	6.5
423.24615	0.7
441.17303	100.0
442.17664	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	441.1731
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
53.03951	0.6
55.01870	0.6
55.05487	1.7
57.03418	0.5
66.91959	0.4
67.05487	1.9
68.85778	0.4
69.03423	1.9
69.07062	1.4
70.06592	6.6
71.52258	0.4
71.52637	0.8
72.08146	1.9
73.02908	0.5
78.47005	0.5
79.05471	1.8
81.03420	3.2
81.07049	2.5
83.04964	0.8
83.08616	0.7
84.04481	0.7
84.08165	0.6
85.02910	3.2
85.06538	1.3
86.09702	2.9
87.00807	0.8
91.05456	1.4
93.07035	3.9
95.04931	0.9
95.08582	3.2
95.37301	0.5
97.02905	1.1
97.06522	1.1
99.04395	1.1
100.35818	0.4
105.03358	0.5
105.07014	2.2
107.08585	3.8
109.02894	2.7
109.06507	0.6
109.10175	2.6
112.07579	1.1
119.01910	0.5
119.08582	1.7
120.08099	1.0
121.06513	0.6
121.10162	1.4
122.88455	0.5
123.08025	0.7
123.11732	0.6
125.09581	0.5
127.03896	3.0
131.08591	0.7
133.10123	3.0
135.04469	0.6
135.08049	1.1
135.11694	1.5
136.06194	1.4
137.09602	1.3
139.60493	0.5
142.07838	0.5
143.08531	0.7
145.04929	0.8
145.06525	0.5
145.10107	0.9
149.09579	0.5
149.13266	0.7
155.57515	0.5
157.10149	0.7
159.11589	0.5
161.02983	0.9
161.09644	0.6
163.03970	0.7
163.11169	0.5
175.07593	0.6
175.11139	0.7
175.14790	1.1
177.12659	0.5
183.11377	0.4
191.14223	0.7
193.04990	1.5
193.12039	3.1
193.15912	0.7
203.05331	0.6
208.02846	0.4
213.15958	0.7
218.84116	0.5
227.05255	0.5
229.15729	0.6
243.04790	1.6
245.06332	1.7
255.13757	0.5
271.06128	1.6
272.06235	0.6
287.03751	6.6
289.05261	13.2
295.79828	0.4
337.16205	0.7
355.17371	4.8
379.17227	2.4
397.18326	32.3
398.18701	1.8
405.09601	0.5
423.16196	6.5
423.24615	0.7
441.17303	100.0
442.17664	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	441.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56879	0.6
52.11268	0.7
55.01882	0.7
55.05502	1.0
57.03433	0.7
67.05505	1.6
69.03418	2.0
69.07082	1.6
70.06597	5.1
71.38171	1.1
72.08147	1.3
78.63468	0.7
79.05487	1.9
79.71931	0.7
81.03404	3.2
81.07050	2.3
83.04972	1.0
83.08624	0.8
84.08144	0.7
85.02906	1.7
85.06537	0.9
86.09689	2.1
91.05473	2.2
93.07037	3.1
95.04980	1.4
95.08613	2.6
97.02911	1.0
99.04413	0.7
105.07012	2.6
106.04228	0.8
107.08604	2.7
109.02880	1.6
109.10165	2.1
112.07622	0.9
116.07072	1.0
117.07017	0.9
119.08591	1.7
120.08093	0.7
121.06451	1.3
121.10127	1.6
127.03928	1.9
133.10135	2.4
135.11653	1.1
136.06157	1.2
137.09628	1.2
145.10162	1.0
173.13287	1.0
175.14790	0.7
193.12044	2.6
193.15923	0.7
201.09273	0.9
213.15984	0.8
227.05240	0.9
243.04790	1.6
245.06288	1.7
255.13608	0.7
271.06284	1.4
287.03735	6.4
289.05286	14.8
309.07452	0.8
355.17307	3.1
367.36862	0.7
379.17334	2.8
383.07507	0.9
397.18326	31.4
398.18668	0.8
423.16034	6.6
423.20459	0.7
441.17328	100.0
442.17603	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	441.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40804	0.8
56.96299	1.4
56.96562	16.3
60.87431	0.8
69.03442	0.9
70.06575	3.1
70.47090	3.5
84.96046	8.7
85.02930	2.1
97.02883	1.4
98.21416	1.1
98.97585	100.0
100.99133	1.0
108.05507	0.8
110.07185	0.9
110.97562	28.5
112.99116	2.3
116.07101	1.8
116.60593	0.8
116.98622	38.7
116.99458	1.9
124.99120	2.2
127.00707	2.0
128.98604	31.7
131.00159	3.7
134.99654	7.9
140.00169	1.7
140.98587	10.0
143.00159	15.2
144.10182	1.5
144.98064	1.3
145.01726	1.6
146.99651	12.3
147.04344	2.1
149.01169	1.9
152.00203	1.1
152.98592	4.8
158.01260	0.9
158.99652	38.4
161.01233	10.8
165.00731	1.1
166.07210	1.6
167.02113	0.9
170.01196	1.5
170.99666	24.7
173.01297	1.8
174.99048	1.0
177.00717	28.5
179.02222	2.3
181.03777	1.1
182.99658	15.3
185.01263	1.8
189.00714	25.2
191.02267	2.1
192.03993	1.1
195.01697	2.1
200.02388	1.3
201.00706	53.2
201.35170	0.8
203.02312	1.0
207.01775	5.7
213.00597	5.0
219.01772	54.1
224.02367	1.2
231.01772	5.1
237.02812	31.7
242.03339	2.2
243.01764	18.0
249.02759	1.7
255.03993	4.9
260.04474	1.1
261.02823	86.0
262.03113	2.2
271.06628	1.3
273.02710	6.0
279.03885	60.6
291.03867	20.7
293.05426	1.4
297.04919	3.4
302.05475	2.8
303.03799	1.5
309.04877	2.7
320.54626	0.9
321.04929	41.7
322.05060	1.2
333.04773	4.2
351.06039	7.9
381.06958	6.5
397.10699	1.1
399.08185	9.8
441.09109	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97395	3.3
53.03940	8.1
55.01849	3.7
55.05506	12.4
57.03436	7.1
62.35278	3.1
67.05505	14.0
68.99783	3.9
69.03429	28.5
69.07070	80.0
70.06591	34.9
70.88389	7.4
70.88737	4.5
71.04996	8.6
72.08165	6.5
73.02891	4.5
79.05485	5.3
81.03417	23.1
81.07056	13.5
83.04974	6.5
83.08583	4.7
84.08128	7.5
85.02908	62.8
86.03227	4.2
86.09705	9.3
87.00826	22.2
91.05476	12.3
93.07043	6.3
95.04988	7.7
95.06104	3.5
95.08601	15.7
96.90245	2.8
97.02892	27.9
97.06514	11.4
97.10145	4.1
99.04452	7.6
105.01871	50.6
105.03389	6.9
105.07037	7.3
106.60434	3.5
107.04951	5.1
107.08578	5.7
108.04444	4.2
109.02863	20.0
109.10146	7.6
110.07188	4.9
111.11729	42.9
115.05393	3.5
119.08600	8.4
120.08121	4.3
121.06521	5.7
121.10135	10.3
123.08051	5.2
127.03922	51.8
133.02835	10.4
133.06511	5.9
133.10141	4.4
135.04428	16.8
135.08109	3.5
136.06207	6.8
139.11185	68.2
140.10669	5.5
145.02832	7.1
145.04932	18.7
145.06413	3.7
147.04410	10.6
147.08055	12.8
151.03896	24.9
157.12247	100.0
159.02895	5.4
163.11201	5.8
173.09666	4.6
174.13670	4.0
177.05469	11.0
178.05003	28.9
189.03938	4.1
192.06583	40.9
193.05037	3.8
215.10606	7.6
218.08206	3.7
231.04964	12.0
233.11765	50.3
249.06073	13.8
260.12820	11.1
278.13870	46.3
309.07425	6.0
363.08582	4.2
411.22339	3.5
422.23511	6.1
440.11502	6.2
440.17511	6.0
440.30466	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	440.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97395	3.3
53.03940	8.1
55.01849	3.7
55.05506	12.4
57.03436	7.1
62.35278	3.1
67.05505	14.0
68.99783	3.9
69.03429	28.5
69.07070	80.0
70.06591	34.9
70.88389	7.4
70.88737	4.5
71.04996	8.6
72.08165	6.5
73.02891	4.5
79.05485	5.3
81.03417	23.1
81.07056	13.5
83.04974	6.5
83.08583	4.7
84.08128	7.5
85.02908	62.8
86.03227	4.2
86.09705	9.3
87.00826	22.2
91.05476	12.3
93.07043	6.3
95.04988	7.7
95.06104	3.5
95.08601	15.7
96.90245	2.8
97.02892	27.9
97.06514	11.4
97.10145	4.1
99.04452	7.6
105.01871	50.6
105.03389	6.9
105.07037	7.3
106.60434	3.5
107.04951	5.1
107.08578	5.7
108.04444	4.2
109.02863	20.0
109.10146	7.6
110.07188	4.9
111.11729	42.9
115.05393	3.5
119.08600	8.4
120.08121	4.3
121.06521	5.7
121.10135	10.3
123.08051	5.2
127.03922	51.8
133.02835	10.4
133.06511	5.9
133.10141	4.4
135.04428	16.8
135.08109	3.5
136.06207	6.8
139.11185	68.2
140.10669	5.5
145.02832	7.1
145.04932	18.7
145.06413	3.7
147.04410	10.6
147.08055	12.8
151.03896	24.9
157.12247	100.0
159.02895	5.4
163.11201	5.8
173.09666	4.6
174.13670	4.0
177.05469	11.0
178.05003	28.9
189.03938	4.1
192.06583	40.9
193.05037	3.8
215.10606	7.6
218.08206	3.7
231.04964	12.0
233.11765	50.3
249.06073	13.8
260.12820	11.1
278.13870	46.3
309.07425	6.0
363.08582	4.2
411.22339	3.5
422.23511	6.1
440.11502	6.2
440.17511	6.0
440.30466	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	440.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03399	0.4
70.06600	1.7
70.79453	0.6
82.06564	0.4
84.04510	0.4
84.08115	0.8
85.02892	1.0
93.05740	0.6
95.08620	0.6
99.06955	0.4
100.02216	0.4
108.04510	0.6
111.60597	0.3
114.05514	0.7
117.05520	0.4
120.62460	0.3
128.07097	2.1
137.05946	1.1
138.44510	0.3
146.05988	1.1
148.73537	0.3
170.66803	0.3
177.04205	44.2
178.04543	0.9
191.63600	0.4
192.06548	100.0
193.05037	0.7
193.06886	2.2
220.20975	0.4
235.47600	0.4
241.09691	0.8
243.11220	0.4
259.10861	0.4
278.13895	0.5
301.11993	0.5
304.26813	0.4
362.74557	0.4
422.13852	1.4
440.18860	0.6
441.13751	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.357
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05508	8.8
57.07072	9.8
65.03930	2.4
67.05505	17.8
67.75282	1.9
69.07062	19.1
71.29707	1.9
73.36281	2.0
79.05502	10.9
81.07054	71.0
83.08619	7.9
89.06046	2.2
91.05474	9.2
93.07045	17.5
95.08607	100.0
96.29140	2.0
97.06515	2.3
97.10174	6.3
105.07024	14.5
107.08602	21.4
109.06535	2.1
109.10157	38.8
111.11711	3.3
114.90520	2.0
117.07004	2.2
119.08593	18.2
121.10135	24.6
123.11697	24.3
131.08595	8.4
133.08658	2.3
133.10124	14.9
135.11702	13.3
137.09651	2.7
137.13261	61.7
143.08585	5.0
145.10104	14.2
147.11716	10.6
149.09567	2.0
149.13298	14.7
151.14774	6.5
157.10147	4.2
159.11690	11.1
161.09595	3.8
161.13281	9.3
163.11151	2.1
163.14796	4.2
165.09187	2.7
169.10223	2.0
171.11742	5.1
173.13263	6.9
175.14865	2.8
177.16432	5.6
185.13246	2.4
187.14873	6.5
189.16333	2.5
191.17958	5.5
193.19461	3.5
199.14934	4.6
201.16417	3.6
203.17929	4.1
205.15741	2.6
205.19490	2.5
213.16446	4.0
215.18016	3.9
217.19568	4.3
219.13936	4.0
225.16312	2.7
227.18018	4.1
229.29088	2.3
231.13812	2.6
233.15250	2.8
241.19496	2.9
243.21149	2.7
245.15474	2.5
259.16965	3.4
287.20001	5.6
289.21637	3.9
301.21579	4.3
315.23337	3.3
421.34595	8.8
432.56415	2.3
439.35736	57.3
440.36050	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	440.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18565	0.3
69.46532	0.3
70.06587	3.2
71.17690	0.6
81.03430	0.5
84.04520	0.7
84.08115	0.8
85.02884	0.6
85.41637	0.3
86.09705	0.4
87.46117	0.3
93.05776	0.5
95.04919	0.4
97.02873	0.5
103.04201	0.5
106.05431	0.3
108.04478	0.5
114.88907	0.3
128.07091	0.4
137.05940	1.6
142.08597	0.6
146.05988	1.0
177.04202	45.8
178.04550	1.1
192.06546	100.0
193.06883	2.7
199.13266	0.3
202.10762	0.5
241.09840	0.6
259.10748	0.4
278.13867	1.3
301.11847	0.5
317.13693	0.5
326.52206	0.3
422.13876	0.9
441.13660	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.357
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05513	7.3
57.07069	3.4
58.16963	1.5
67.05504	13.5
69.03445	2.0
69.07062	18.5
70.48548	3.9
71.04984	1.4
71.08608	1.4
73.57713	1.2
79.05491	8.9
81.07050	26.7
81.74684	1.3
81.76024	1.2
83.04975	1.6
83.08606	6.8
89.06037	2.8
91.05469	6.6
93.07038	14.3
95.04951	2.2
95.08610	46.8
95.10356	1.3
97.06540	1.4
97.10184	4.2
105.07027	13.0
107.08579	20.9
109.06518	3.4
109.10152	30.8
111.11744	5.0
117.07069	1.4
119.08573	19.4
121.06493	1.8
121.10151	20.6
123.08057	7.7
123.08880	1.3
123.11691	13.3
131.08583	5.9
133.08537	1.4
133.10104	14.8
135.08038	1.8
135.11691	15.0
137.09615	7.0
137.13266	8.6
143.08557	3.9
145.10143	10.6
147.08023	1.9
147.11670	9.1
149.09599	3.9
149.13281	7.5
151.07494	1.5
151.11218	1.9
151.14793	2.6
157.10170	4.5
159.11714	10.4
161.09656	5.3
161.13214	10.4
163.11148	3.5
163.14801	6.9
165.09117	12.1
165.12714	1.5
169.10129	1.7
171.11722	4.0
173.09634	2.0
173.13327	8.7
175.11189	4.0
175.14867	7.6
177.12820	1.8
177.16428	3.3
179.91167	1.2
183.11649	2.2
185.13321	4.7
187.14857	5.2
189.12621	2.1
189.16415	6.1
191.17966	4.5
197.13284	2.0
199.14842	3.9
201.12837	3.2
201.16409	5.2
203.14352	3.3
203.18002	4.8
205.19576	4.0
211.14912	2.2
213.12907	1.9
213.16415	2.8
215.14328	5.0
215.17999	5.1
217.15889	3.7
217.19577	4.1
219.17471	3.1
219.21114	3.1
221.15385	3.2
227.17949	3.0
229.15807	2.4
229.19579	2.1
231.17508	2.9
233.15332	2.2
237.16403	1.5
241.19681	1.6
243.17415	2.6
245.19119	1.8
247.16811	2.7
257.18985	1.5
261.18555	5.2
269.19037	1.5
269.22638	1.8
281.22610	1.7
283.20837	1.5
285.25800	1.4
287.20078	1.8
329.24716	1.4
403.33441	3.9
409.34900	1.9
421.34744	25.1
422.35251	1.9
439.13589	1.9
439.35770	100.0
440.36176	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	439.357
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03938	3.9
55.05495	11.8
57.07064	5.4
64.90652	2.7
65.03958	3.3
67.05503	21.4
69.07063	31.9
69.30369	2.8
69.55211	14.3
69.55630	6.3
79.05486	17.2
81.07055	59.4
83.04975	3.9
83.08621	10.1
87.04475	10.0
89.06022	2.7
91.05463	14.5
93.07032	35.2
95.08607	92.1
97.06531	4.4
97.10137	5.5
98.20818	5.7
105.07012	26.8
107.04094	2.9
107.08585	59.4
107.55280	2.8
109.10152	52.0
111.08041	6.2
111.11729	7.9
117.07049	6.4
119.08585	55.3
121.10140	51.6
123.08064	7.5
123.11694	31.6
124.35592	2.8
125.09645	3.9
131.08591	15.1
133.10130	38.2
133.62686	2.7
135.08078	4.9
135.11707	26.8
137.09586	6.3
137.13258	20.5
142.07768	3.8
143.08572	9.2
145.10121	27.4
147.11690	30.6
149.09619	8.7
149.13263	14.1
156.09392	4.1
157.10132	20.7
159.11674	29.1
161.09653	4.1
161.13242	18.8
163.14824	8.7
164.41246	3.1
169.10106	9.4
170.10887	5.0
171.11627	14.3
173.13283	22.7
175.11197	5.3
175.14865	22.5
177.12816	6.2
177.16423	7.6
183.11717	4.3
185.13300	10.7
187.14891	12.1
189.16414	12.6
191.17905	27.0
197.13220	5.4
199.14832	13.6
201.16330	14.7
203.14346	11.1
203.18013	11.2
205.19429	4.1
209.13190	3.2
211.14841	7.0
213.12805	2.9
213.16402	10.6
215.17998	13.8
217.15834	7.9
217.19513	15.1
219.17441	11.5
221.15387	6.2
225.16298	4.1
227.17903	6.4
229.19479	4.6
231.17525	5.4
231.21150	6.7
235.16927	52.6
241.19641	3.1
243.17537	4.8
243.21092	3.8
261.18475	5.5
268.07126	3.0
275.20242	3.9
285.22250	3.2
311.27429	9.5
339.81931	3.1
353.32123	7.9
363.30518	7.5
403.33734	16.1
421.34692	35.0
439.35703	100.0
440.36069	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	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05505	6.7
57.07062	3.0
58.91545	3.0
67.05491	9.9
69.07072	16.1
71.53270	2.4
79.05484	5.4
81.07063	24.1
82.63161	2.6
83.08598	8.6
89.06026	3.8
91.05484	5.4
93.07033	16.4
95.08610	39.0
105.07030	11.4
107.08582	21.7
107.84215	3.0
109.10161	26.6
111.08086	3.9
111.11748	3.6
112.80177	2.6
117.07019	5.3
119.08593	17.8
121.06528	4.0
121.10146	21.6
123.11694	16.1
131.08591	5.5
133.10107	13.9
135.08063	19.2
135.08870	2.8
135.11668	7.5
137.13280	10.1
145.10107	9.5
147.07971	3.9
147.11725	9.4
149.09639	4.5
149.13226	8.7
151.14941	3.0
159.08067	4.7
159.11710	10.0
161.09651	3.7
161.13255	8.2
163.14825	7.9
171.11700	4.3
173.13268	8.5
175.14854	5.7
177.16353	4.8
183.11717	4.5
185.13237	4.4
187.14821	6.6
189.12830	7.9
189.16371	3.5
191.17979	6.5
197.13226	3.4
201.12724	4.4
201.16479	3.4
203.17900	6.4
205.19534	6.1
213.16521	3.8
215.14275	5.9
215.17892	5.8
219.02531	3.5
219.13802	27.9
221.15390	3.7
227.18095	3.8
229.19571	3.5
243.21101	6.5
257.18759	3.5
257.22659	4.2
265.19601	3.5
269.22668	5.1
283.24237	4.8
323.27377	3.8
403.33893	4.1
421.34717	23.5
439.29926	5.9
439.35727	100.0
440.36111	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	439.357
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
51.42364	1.8
53.03948	3.9
55.05511	14.4
57.07064	6.6
58.14412	1.7
58.58789	1.8
59.04984	2.3
62.01756	1.7
67.05505	29.9
69.03413	4.1
69.07066	23.0
70.06588	2.4
71.08631	1.8
71.42011	3.9
76.50510	1.8
79.05488	19.6
81.03412	4.5
81.07052	38.4
83.04987	2.3
83.08638	12.4
84.08135	1.7
85.02937	2.1
85.06570	1.9
91.05482	17.5
93.07042	40.0
95.04961	9.1
95.08608	68.7
97.10152	7.1
105.03394	31.3
105.07029	47.0
105.07587	1.4
107.08595	50.3
109.06545	3.2
109.10155	69.2
111.08050	2.9
112.61490	2.0
119.08582	69.0
121.06500	4.6
121.10145	76.9
123.08073	14.1
123.11703	33.3
125.09641	2.5
129.07095	1.9
131.08582	12.7
133.10118	41.4
135.08046	7.3
135.11696	25.5
137.09647	2.4
137.13251	10.0
143.08604	4.6
145.10115	17.5
147.11685	32.2
149.09619	62.6
149.13251	11.0
151.11212	11.4
151.14848	6.9
157.10118	10.2
159.11681	17.8
161.09648	3.6
161.13264	25.0
162.09140	4.6
163.11169	3.3
163.14845	8.7
167.10710	9.3
169.10083	3.8
171.11768	6.2
173.13264	12.0
175.11235	6.3
175.14832	12.7
177.12775	3.9
177.16316	9.5
179.17912	3.5
183.11703	5.8
185.13286	7.7
187.11232	2.2
187.14828	7.6
189.16441	9.8
191.14348	2.5
191.17975	5.7
193.12263	4.0
197.13321	3.2
199.14838	7.8
201.12820	7.2
201.16347	13.4
203.14250	2.7
203.17950	24.8
205.15755	10.4
205.19476	2.5
209.13353	3.4
211.14899	3.0
213.16360	6.3
215.17978	6.8
217.16005	3.5
217.19511	24.5
219.17493	7.0
221.15527	1.9
225.16299	2.3
227.14250	2.6
227.18060	4.0
229.15991	2.2
231.17407	4.2
241.15901	2.8
241.19472	2.8
243.17421	3.9
243.21159	3.7
255.17696	3.0
269.19003	2.2
273.18448	2.6
285.22229	2.0
285.25845	5.5
311.27264	2.5
327.26620	3.3
367.33679	2.7
381.31476	2.4
393.35471	2.5
403.33594	10.3
421.34637	75.9
422.34967	5.0
439.26663	6.1
439.35767	100.0
440.23242	16.4
440.36002	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	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05508	7.5
57.03404	1.5
57.07072	3.5
59.05011	1.3
67.05511	12.0
69.07071	18.9
70.75845	1.8
71.04971	2.5
71.52733	1.7
79.05506	10.6
81.07063	23.2
83.08628	5.3
87.04465	2.9
89.04404	1.5
89.06024	3.4
91.05479	8.9
93.07047	20.3
95.04979	2.0
95.08614	54.5
97.10179	3.4
104.06301	1.3
105.07041	17.6
107.08598	31.3
109.06518	2.3
109.10156	34.5
111.08068	3.2
111.11718	3.9
117.07027	1.5
119.08582	36.6
121.06532	1.7
121.10150	40.1
123.08084	3.6
123.11715	18.3
129.06992	2.2
131.08585	9.0
133.10144	24.0
134.22363	1.3
135.08067	2.7
135.11673	12.1
137.09624	3.0
137.13257	6.5
142.07762	1.8
143.08562	7.2
145.10126	10.6
147.11705	14.6
149.09628	3.3
149.13258	8.5
151.14804	3.2
155.08560	3.0
157.10130	9.9
158.10927	1.9
159.11699	17.9
161.09625	3.2
161.13264	11.0
163.14859	4.7
165.12767	4.1
167.14420	2.2
169.10155	2.3
170.10988	1.6
171.11707	11.1
173.13245	17.0
175.11267	3.3
175.14822	12.9
177.12778	1.7
177.16374	7.2
179.14238	2.0
180.20682	1.4
183.11702	4.5
184.12434	1.4
185.13226	7.5
187.14867	5.3
189.12814	2.5
189.16399	5.4
191.17929	11.5
193.12346	1.8
197.13309	2.5
199.14865	10.1
201.16415	5.1
203.14340	5.9
203.17970	5.4
205.19472	2.1
209.13234	1.9
211.14902	3.1
213.16411	4.7
215.17958	4.0
217.15955	6.4
217.19478	11.4
219.17406	2.2
221.15253	1.6
223.14993	1.7
225.16417	4.2
227.17989	3.3
229.15938	1.5
229.19600	2.0
231.17444	3.4
231.21001	1.6
235.16948	31.1
239.17938	2.2
240.18362	1.5
241.19528	1.7
243.17659	1.8
255.21014	1.5
257.19000	2.9
257.22653	2.0
261.18359	2.1
265.19592	2.2
267.21429	2.2
275.20154	2.8
281.22571	1.4
283.20633	1.7
285.22195	2.5
287.20068	1.4
299.23892	3.5
309.25571	2.0
311.23529	1.5
311.27243	2.9
341.28448	2.3
343.26447	2.9
353.31934	1.8
363.30499	1.6
369.31467	2.6
403.33514	8.2
421.34637	23.0
426.71225	1.5
439.35745	100.0
440.36359	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	439.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13026	2.9
53.03931	5.2
55.01870	4.9
55.05510	25.2
57.03431	4.0
57.07064	6.0
58.34675	2.9
59.04971	4.3
64.42354	3.4
65.03951	6.0
67.05180	4.7
67.05508	64.9
69.03432	7.6
69.07076	31.6
70.06594	6.2
71.04971	8.7
77.03925	3.7
79.05491	32.8
81.03407	17.3
81.06590	5.0
81.07055	80.3
83.04965	8.8
83.08617	19.6
84.08144	4.0
85.02923	17.9
85.06532	5.2
87.20206	3.2
91.05475	36.0
93.07037	67.7
95.04998	15.5
95.08607	100.0
97.06537	9.7
97.10173	13.8
99.04436	4.2
99.08076	4.3
99.25652	2.9
105.03384	7.7
105.07030	70.7
107.04973	5.1
107.07875	6.5
107.08589	90.5
109.02878	5.6
109.06502	11.7
109.10152	72.6
111.04407	3.9
111.08085	9.6
115.05402	3.2
117.07015	6.9
119.04988	3.5
119.06220	3.0
119.08576	78.0
121.06478	21.6
121.09324	5.2
121.10147	56.2
123.08070	11.7
123.11703	23.1
125.09637	5.9
127.03913	7.2
129.07005	10.2
131.08568	30.2
133.06508	4.6
133.10141	64.4
135.08081	13.0
135.11687	22.0
137.06009	3.9
137.09622	7.3
137.13263	6.5
142.07770	4.2
143.08585	14.5
145.10107	38.8
147.08022	19.4
147.11688	40.4
149.09627	15.4
149.13249	26.1
155.08534	6.5
157.10139	24.0
159.08047	6.5
159.11693	35.6
160.08894	3.3
161.09608	32.4
161.13277	36.1
163.11218	7.7
163.14848	30.5
165.09105	5.9
169.10143	6.4
170.10886	4.8
171.08025	4.3
171.11665	15.0
173.09615	5.1
173.11777	7.1
173.13161	28.8
175.07697	4.0
175.11198	13.0
175.14796	31.0
177.16386	27.3
185.13252	16.3
187.14816	47.8
189.12747	27.8
189.16368	38.4
191.14346	20.8
191.17955	12.1
193.12206	10.6
197.13217	4.2
199.14812	10.9
201.16367	27.8
203.14323	13.4
203.17969	97.8
204.18288	5.2
205.15912	7.7
205.19521	4.0
207.06400	3.9
211.13341	9.4
211.15025	5.3
213.16435	7.6
215.14328	10.4
215.17906	5.9
217.15904	11.6
217.19398	4.9
219.17395	4.4
223.14886	3.2
225.16469	4.4
227.17973	7.7
229.16042	3.7
229.19638	5.4
231.17477	5.2
235.13339	11.5
239.17900	4.7
243.17564	4.5
374.99768	3.8
375.30353	12.1
393.31488	45.7
395.33102	9.3
411.32596	5.6
421.30899	14.2
439.26706	28.7
439.31110	46.5
440.27380	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	439.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.05501	16.2
57.03424	7.6
57.07078	74.5
58.58713	3.8
67.05495	9.4
69.03426	15.6
69.07073	21.7
69.22160	31.6
69.22576	9.1
70.06583	9.3
71.04980	3.7
72.08150	5.7
79.05485	7.1
81.03403	17.3
81.07050	50.5
83.04990	6.6
84.08118	6.3
85.02898	19.5
85.06554	27.1
86.09676	4.6
91.05490	8.8
93.07005	12.0
95.08608	32.0
97.02900	15.0
97.10155	21.4
99.04452	6.5
99.08093	48.6
105.07014	12.0
107.08607	12.2
109.02885	16.5
109.10129	5.1
111.04412	9.3
117.07059	4.7
119.08581	10.4
120.08047	4.9
121.10117	10.7
123.08054	8.2
123.11739	4.6
127.03921	18.5
129.10199	4.0
131.08571	13.9
133.10144	11.6
135.11665	5.4
136.06186	16.3
137.13266	32.6
147.11728	8.0
149.09558	4.1
149.13248	4.9
155.14305	100.0
162.05499	11.1
163.05844	7.6
171.11748	4.6
173.13264	7.9
173.15359	28.9
177.12680	5.0
189.12698	4.9
191.05403	6.3
191.14342	26.5
191.16423	52.6
246.00957	4.1
246.14784	5.0
326.59604	4.0
358.88840	4.4
439.09119	6.0
439.19489	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	439.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89849	1.5
53.03956	2.0
55.01867	2.5
55.05502	8.6
57.03435	4.3
57.07077	25.5
59.05006	1.8
61.02925	2.3
64.16302	1.7
65.71928	1.5
67.05508	11.4
69.03440	8.3
69.07072	12.7
70.06586	14.2
71.04997	4.7
71.52977	1.8
72.04508	2.0
72.08152	6.6
73.06557	3.6
79.05498	8.2
81.03418	20.6
81.07056	33.3
82.03764	3.4
82.07373	1.9
83.04988	4.6
83.08613	5.2
84.04499	2.3
84.08168	7.8
85.02902	10.8
85.06544	51.4
86.09705	5.6
87.00829	5.0
91.05470	7.2
93.07040	7.9
95.04987	8.0
95.07342	1.5
95.08600	19.5
97.02896	8.3
97.06547	1.6
97.10185	4.4
99.04425	2.3
99.08096	25.9
105.01910	2.1
105.07013	4.3
107.05001	2.2
107.08599	3.9
109.02872	8.4
109.06541	1.9
109.10169	3.6
110.07151	2.2
110.09694	3.7
111.04459	2.4
116.07063	1.7
119.03632	1.8
119.08511	2.9
120.08111	15.9
121.02871	3.3
121.06504	1.8
121.10175	3.2
123.08021	2.0
124.07577	2.9
127.03914	9.8
129.06987	1.6
129.10229	3.0
131.04958	2.0
131.08582	4.4
133.10091	3.3
135.04376	2.3
135.08121	1.5
136.06183	100.0
137.04776	3.5
137.06621	33.1
137.09625	2.6
137.13243	19.5
138.09134	10.1
143.08501	1.6
145.04916	2.0
145.10161	2.0
147.04419	2.9
149.09625	2.9
153.12732	2.1
155.10678	3.0
155.14307	40.9
161.05908	1.6
162.05582	1.9
162.77348	1.7
173.09567	2.4
173.11823	3.9
173.13249	2.3
173.15376	14.8
174.09169	2.2
174.12090	3.6
177.05466	2.6
188.83350	1.9
191.07036	2.3
191.14398	5.2
191.16402	35.1
192.06610	3.3
192.10152	2.2
193.12210	5.7
194.12640	2.6
207.06506	2.4
213.03926	1.8
218.88672	1.6
219.06505	4.5
260.05615	1.7
268.16272	2.5
277.15210	1.9
278.10428	2.5
389.13599	2.0
407.14313	4.0
421.22894	8.7
439.16022	2.0
439.23956	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	439.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43726	1.5
53.03944	4.5
53.08758	1.8
55.01863	6.2
55.05503	5.2
57.07070	4.1
65.03934	3.0
67.05511	30.3
69.03415	7.0
69.07068	7.5
69.30237	17.9
79.05488	12.4
81.03424	19.8
81.07055	8.7
83.04990	2.9
83.08598	4.6
91.05478	20.5
93.07056	24.5
95.01328	56.7
95.04971	100.0
95.08607	9.9
97.02889	4.5
97.06526	5.2
103.05461	5.2
105.07035	35.2
107.04959	4.4
107.08601	15.6
109.02843	2.3
109.06535	6.4
109.10161	6.1
115.05462	5.6
117.07018	7.9
119.08584	18.9
121.06516	24.9
121.10159	6.5
123.04415	2.8
123.08055	4.8
123.11721	2.0
125.05997	2.6
126.90321	1.5
128.06233	6.4
129.07011	7.5
131.08540	10.6
133.06494	19.4
133.10118	9.0
135.08049	5.5
135.11694	9.8
135.33342	1.8
137.05943	2.6
138.89507	2.0
141.07005	6.3
142.07797	5.4
143.08542	12.0
144.09306	2.1
145.06514	10.7
145.10126	14.8
147.08061	6.2
147.11682	6.5
149.05992	3.9
149.09703	2.3
149.13255	2.5
153.07019	2.4
155.08574	5.9
156.09335	4.5
157.06525	4.3
157.10120	17.7
158.07336	3.0
159.08112	11.5
159.11690	9.5
161.05986	41.3
161.09621	7.9
161.13243	3.8
165.07027	5.3
166.07800	3.0
167.08600	6.2
168.09399	2.1
169.06490	2.0
169.10115	9.5
170.10942	4.1
171.08017	9.5
171.11710	12.5
173.09627	9.5
173.13322	5.7
175.07539	10.2
175.11211	5.0
178.07758	2.4
179.08531	4.5
180.09416	3.1
181.10143	9.9
182.07387	2.3
182.10934	5.6
183.08096	6.5
183.11703	8.6
184.12555	2.4
185.09651	7.4
185.13286	6.7
187.11168	3.9
187.14792	4.1
188.82137	1.9
189.05457	6.1
189.09099	3.2
189.12814	2.3
191.08618	1.8
192.09378	4.1
193.10141	6.9
194.10898	3.7
195.08005	8.4
195.11716	7.1
196.12440	2.4
197.09645	11.0
197.13309	7.5
198.10530	2.2
199.11206	5.2
199.14896	3.5
201.09164	5.5
201.12730	4.9
203.06985	3.5
204.09354	1.9
205.04979	9.9
206.10904	4.4
207.08176	2.7
207.11694	7.7
209.09610	10.9
209.13243	4.9
210.10574	2.6
211.07651	3.9
211.11220	7.1
211.14815	2.3
213.09145	3.7
213.12775	9.1
215.10635	4.2
215.14281	3.5
217.10327	3.2
217.12285	4.6
219.06323	2.5
219.08205	2.9
219.11687	3.5
221.07950	2.6
221.09802	3.2
221.13213	4.9
223.11179	7.9
223.14737	3.0
225.09146	2.7
225.12723	5.8
225.16309	3.0
226.16884	2.0
227.10709	6.7
227.46819	1.8
229.12265	2.3
230.11076	2.0
231.11728	2.3
231.13817	4.3
233.09741	3.4
233.13240	4.3
234.10397	3.1
235.11224	4.3
237.09143	2.2
237.12761	5.1
237.16423	2.2
239.10632	3.4
239.14417	2.6
241.12309	3.5
242.08180	3.3
245.09781	1.9
247.11232	6.6
248.12039	3.0
249.09108	2.9
249.12779	5.7
250.13329	2.0
251.10571	2.7
251.14391	5.1
253.12325	5.5
253.16003	3.6
258.10306	2.5
261.12814	6.9
263.10776	2.8
263.14270	6.0
265.12158	4.3
265.15750	2.3
267.10233	4.1
267.17471	3.2
269.11655	2.2
269.15475	3.6
271.16956	1.8
272.11957	2.0
273.12646	3.8
275.14304	4.1
279.13870	3.6
279.17484	2.9
281.15454	3.6
281.18893	2.3
291.13748	4.1
291.17749	2.7
295.13333	3.9
295.16946	4.6
297.15097	2.9
297.18430	3.0
299.16541	4.5
301.12146	3.3
303.13791	2.5
304.14618	2.2
305.15756	2.7
307.13461	2.6
309.14999	3.5
315.13641	2.3
320.02957	2.0
321.14944	4.3
323.16312	3.1
325.14545	2.4
329.24960	3.4
333.14841	4.4
333.18436	2.3
341.17758	2.9
347.16281	2.0
347.20166	4.7
351.15939	2.5
357.18515	3.4
359.20035	2.1
361.14233	3.6
364.20425	5.5
365.21127	3.3
375.19595	12.7
376.19751	1.9
377.21210	2.6
379.15170	2.2
385.17935	2.8
393.20563	13.0
395.22263	3.0
403.19086	8.2
421.15158	3.4
421.20123	16.5
421.34525	2.9
439.17020	4.7
439.21222	67.9
439.35953	13.9
440.21729	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	439.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.6
53.03947	7.7
55.01865	7.6
55.05505	7.3
64.16006	2.6
65.03948	6.9
67.05502	40.4
67.53637	2.7
68.89391	2.4
69.03423	7.5
69.07059	11.2
69.35284	2.6
71.52059	3.7
77.03960	3.3
79.05486	17.9
81.03419	24.6
81.07058	16.8
83.04988	3.5
83.08617	6.6
86.02999	2.7
89.48023	2.9
90.81528	2.4
91.05482	31.7
93.07039	24.9
95.01334	88.8
95.04369	6.1
95.04969	100.0
95.08620	20.0
97.02896	3.2
97.06522	9.9
103.05457	7.2
105.07034	46.2
107.04968	7.2
107.08585	23.9
109.06514	9.0
109.10164	11.4
111.08047	3.6
115.05392	6.8
117.07035	12.0
119.04939	3.1
119.08588	27.5
121.02863	4.5
121.06493	24.1
121.10166	11.2
123.08079	7.2
123.11691	3.5
124.81885	2.8
125.09708	3.2
128.06245	7.9
129.07007	10.2
130.07745	3.5
131.04964	7.0
131.08565	17.9
133.06514	28.5
133.10152	17.7
135.08026	7.5
135.11688	10.0
137.05946	2.9
141.07034	6.3
142.07753	5.9
142.25969	3.2
143.08549	16.3
144.09250	3.3
145.06494	15.4
145.10123	21.0
147.04355	3.0
147.08095	13.9
147.11662	11.0
149.05980	5.8
149.13258	4.5
155.08549	12.3
156.09375	8.2
157.06519	6.3
157.10085	14.1
159.08086	11.3
159.11671	13.1
161.05989	56.2
161.09648	10.3
161.13260	3.3
165.07047	5.2
166.07785	3.5
167.08586	6.7
169.06487	3.5
169.10149	13.1
170.10951	3.6
171.08081	11.7
171.11690	10.6
173.09634	11.6
173.13225	6.4
175.07515	15.1
175.11156	6.9
178.07809	3.9
179.08565	8.3
180.09387	5.0
181.06395	4.8
181.10120	9.5
183.08087	8.7
183.11670	9.9
184.08752	4.2
185.09631	10.2
185.13286	10.1
187.07547	3.3
187.11230	5.3
187.14842	6.3
189.05499	6.3
189.09137	4.5
191.14192	2.9
193.10172	6.8
195.08095	9.0
195.11739	8.7
197.09615	5.2
197.13203	8.1
199.07645	3.5
199.11151	3.9
199.15002	6.3
201.09032	4.0
201.12762	5.7
203.08685	4.2
203.10710	3.0
205.04890	14.6
205.10124	4.6
207.08148	3.7
207.11700	6.0
209.09630	14.4
209.13216	8.0
211.11201	8.5
213.09213	4.8
213.12791	7.8
215.10672	5.0
215.14420	3.6
217.10179	4.0
217.12154	4.1
219.06436	6.9
219.11696	3.8
221.07823	4.5
221.09712	7.2
221.13377	4.0
223.11183	9.9
223.14833	6.1
225.12700	4.8
225.16435	3.3
227.10681	5.0
227.14273	3.3
231.13876	4.0
233.09715	4.1
235.11217	5.3
235.14745	3.2
237.09015	3.4
237.12717	4.0
239.10855	4.3
239.14352	3.5
241.12326	5.6
243.13841	4.2
244.12585	3.2
247.11217	5.6
249.12675	4.1
251.14352	5.7
253.12242	6.1
259.11182	4.3
261.12515	3.3
262.09613	3.0
263.10617	6.2
263.14331	3.8
265.12219	4.0
265.15787	4.4
265.18448	3.2
269.15411	5.9
273.12866	6.2
275.14059	3.4
277.12250	5.2
279.13913	3.2
281.15491	5.6
281.18756	3.7
289.12210	4.7
291.13770	5.0
293.12027	3.6
295.13803	3.1
297.18472	3.7
303.14029	3.6
307.13324	3.6
309.15030	4.4
316.14612	2.9
319.13394	5.3
321.14728	3.5
323.16565	3.9
333.14853	6.1
347.19925	6.6
357.18222	4.1
358.13351	2.9
359.20090	3.6
364.20462	4.5
365.21045	7.2
375.19559	12.0
377.21133	4.8
393.20590	15.6
395.22104	4.6
403.19016	6.1
406.45267	3.1
421.19925	16.3
439.21179	71.2
439.36099	5.2
440.21478	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	439.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01878	7.6
55.05500	6.0
57.07071	3.5
59.05007	1.4
65.03936	6.3
67.05504	33.9
69.03421	6.0
69.07067	7.3
69.83270	7.9
79.05495	19.9
81.03421	19.4
81.07076	10.8
83.04961	2.2
83.08607	3.4
91.05478	28.0
93.03410	1.8
93.07044	25.8
95.01332	93.0
95.04971	100.0
95.08614	11.3
96.01665	1.6
96.05276	2.3
96.08914	1.4
97.02907	3.0
97.06538	4.8
97.10126	1.6
98.86103	1.5
103.05467	7.5
105.07031	48.4
106.06620	1.7
107.04961	5.2
107.08594	18.1
109.02885	2.5
109.06509	8.5
109.10177	6.7
111.04462	1.5
113.90146	1.3
115.05434	6.8
116.06256	1.5
117.07001	11.6
119.04961	4.3
119.08585	23.1
120.08936	1.6
121.02873	1.9
121.06508	24.3
121.10149	7.8
123.04395	2.7
123.08077	5.4
123.11731	2.5
125.09695	1.8
125.31177	1.5
128.06239	9.6
129.07019	10.2
130.07808	4.6
131.04907	4.7
131.08569	17.9
133.06497	27.2
133.10124	13.3
135.04387	1.9
135.08035	6.9
135.11688	10.7
137.05934	2.3
137.13278	2.1
141.07022	4.9
142.07800	8.9
143.08588	15.5
143.71432	1.5
144.05667	1.3
144.09149	1.4
145.02855	3.6
145.06488	12.0
145.10124	23.5
147.04419	4.0
147.08060	11.9
147.11684	9.1
149.05981	5.9
149.09621	2.4
149.13298	2.4
151.07532	1.7
153.07007	4.1
153.09088	1.8
154.07726	2.0
155.08572	13.2
156.09358	5.2
157.06526	2.8
157.10135	21.3
158.07335	2.2
159.08046	12.2
159.11679	12.2
161.05992	61.4
161.09625	8.5
161.13249	3.2
163.03835	1.9
163.07564	4.2
165.07014	7.7
165.09186	2.7
166.07736	2.9
167.08559	7.4
168.09360	2.8
169.06473	3.2
169.10138	11.1
170.10890	6.3
171.08061	15.1
171.11719	12.1
172.08780	1.9
173.06001	3.4
173.09665	12.7
173.13226	6.7
175.07552	14.3
175.11180	4.5
175.14864	2.5
177.05421	2.2
177.09178	1.9
178.07793	3.5
179.08569	8.0
180.09366	3.9
181.06451	2.3
181.10124	14.8
182.07346	2.1
182.10803	1.6
183.08054	7.5
183.11659	9.5
184.08838	2.3
184.12453	1.7
185.05974	2.5
185.09631	12.0
185.13274	8.8
186.10379	1.7
187.07565	2.8
187.11198	5.0
187.14865	6.6
189.05464	5.8
189.07030	1.6
189.09123	6.3
189.12761	4.1
191.03430	3.9
191.08580	2.8
191.10631	1.6
192.09389	3.9
193.10153	10.9
194.07210	2.5
194.10844	3.0
195.08058	10.4
195.11752	10.3
196.08888	2.8
196.12453	2.3
197.09636	11.6
197.13269	8.0
198.10387	2.2
199.07434	2.2
199.11186	6.5
199.14859	2.5
201.05507	3.4
201.09106	5.8
201.12729	4.6
201.16402	2.1
202.07764	2.0
203.06914	3.1
203.08565	3.9
203.10713	4.0
203.14301	2.7
204.09412	2.9
205.04974	13.1
205.10133	4.7
205.12201	2.7
206.10910	3.8
207.08177	3.3
207.11703	7.2
208.08806	2.5
208.12447	2.5
209.09636	14.7
209.13139	6.8
210.10454	3.2
211.07581	3.9
211.11171	9.0
211.14876	3.6
213.09135	4.8
213.12619	6.9
215.06923	2.0
215.10664	4.7
215.14328	5.1
216.09489	1.9
217.10219	3.9
217.12296	3.7
218.10976	4.2
219.06519	4.8
219.11708	4.3
219.13684	2.3
220.08817	3.0
220.12480	2.7
221.07816	2.1
221.09846	9.3
221.13275	4.5
222.10350	3.2
222.14075	1.4
223.07693	1.5
223.11163	10.0
223.14900	4.3
224.11891	1.7
225.09151	4.4
225.12700	7.3
225.16272	1.8
227.10739	4.6
227.14265	2.6
229.10249	2.4
229.12213	3.5
229.15811	2.8
230.10817	1.8
231.11818	2.5
231.13893	4.0
232.08952	2.3
233.09637	4.4
233.13310	3.0
234.10304	2.3
235.07402	1.7
235.11122	8.0
235.14806	2.7
236.12067	1.5
237.09180	4.4
237.12761	7.8
239.10716	3.1
239.14302	5.0
241.12321	4.5
243.11792	2.5
243.13858	2.8
244.08806	1.7
245.09698	1.9
245.13322	2.1
246.10379	3.5
247.07410	1.5
247.11191	6.3
247.14937	1.9
248.11940	3.6
248.48993	1.5
249.09059	2.9
249.12677	8.0
249.16487	1.5
251.10707	4.0
251.14302	5.9
253.08722	3.1
253.12270	3.5
253.15952	5.3
255.10020	3.0
255.13869	3.1
257.09738	2.3
260.12000	2.0
261.12833	5.9
263.07196	1.6
263.10745	4.6
263.14386	5.0
265.12186	3.6
265.15906	3.8
267.10141	3.4
267.13837	2.6
267.17322	2.0
269.15359	5.6
273.12851	4.1
274.13492	1.7
275.10568	3.0
275.14185	1.5
277.12225	4.5
277.15927	2.3
279.10526	2.4
279.13702	3.1
279.17548	2.3
281.12051	3.2
281.15466	5.5
281.19031	1.9
283.13666	1.5
287.14374	4.3
289.12292	3.9
290.13150	1.9
291.13812	5.7
293.11908	2.9
293.15277	3.7
295.13358	1.5
295.16837	2.3
297.15048	2.7
297.18271	3.7
299.16843	2.1
299.20099	1.7
300.11395	2.0
301.12302	2.7
303.13867	3.2
303.17239	2.3
305.11856	3.2
305.15359	5.3
307.13242	4.1
307.16641	2.1
308.14102	1.9
309.14948	2.9
315.13605	3.3
317.15131	3.5
319.13373	3.5
321.14783	4.6
323.12845	2.2
323.16083	2.6
329.18921	2.4
333.14804	6.1
333.18509	2.6
335.12625	1.5
335.16409	3.5
339.15933	2.0
341.17676	4.3
343.13217	1.8
346.19101	1.8
347.12665	1.8
347.16464	3.3
347.20120	7.9
349.17847	2.2
349.21564	2.4
357.18579	4.4
359.20154	4.3
361.14291	4.3
361.18115	2.1
364.20395	4.1
365.21176	3.7
375.19455	9.2
377.21127	5.1
379.15268	4.3
385.17947	3.5
393.20590	15.3
395.22238	3.1
403.19119	10.2
421.20157	16.5
439.21173	66.4
439.35724	2.7
440.21634	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	439.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01866	8.0
55.05511	4.5
57.07064	4.0
60.14461	2.2
62.59388	2.2
65.03936	3.2
67.05505	32.5
69.03424	6.8
69.07061	6.1
69.25219	24.9
78.52995	2.2
79.05499	12.4
81.03419	22.9
81.07049	12.6
91.05489	22.5
93.07049	25.8
95.01337	65.6
95.04971	100.0
95.08607	11.8
97.06532	4.9
103.05487	7.0
105.07037	37.7
107.04937	4.9
107.08618	13.5
109.02880	3.3
109.06500	6.6
109.10191	5.4
115.05447	4.5
117.07027	10.7
119.04963	2.9
119.08587	19.9
121.06496	23.4
121.10161	7.3
123.04388	2.6
123.08089	7.9
123.41994	2.5
125.09657	3.0
128.06224	6.9
129.07001	7.2
131.04890	4.2
131.08595	15.4
133.06487	20.7
133.10136	12.7
135.08047	6.7
135.11690	7.4
136.12500	2.6
141.06960	5.4
142.07799	7.2
143.08577	11.0
145.06490	11.2
145.10133	16.6
147.08018	8.5
147.11691	8.7
149.13107	3.0
149.43489	2.4
153.06941	3.2
155.08621	12.5
156.09357	5.3
157.06433	3.3
157.10126	16.2
159.08052	10.2
159.11690	8.7
161.05986	38.9
161.09651	6.4
161.13243	3.5
163.07509	3.0
165.06973	7.7
166.07695	3.3
167.08562	6.3
169.10095	12.5
170.10992	3.6
171.08084	10.8
171.11685	11.1
172.08836	3.7
173.09654	8.1
173.13266	7.1
175.07529	11.2
175.11142	5.5
179.08582	8.0
180.09338	3.3
181.10098	11.3
182.07213	3.4
183.08073	6.7
183.11710	9.9
185.09647	9.6
185.13275	9.9
187.07558	3.4
187.11148	6.7
187.14763	3.7
189.05489	4.7
189.09088	2.6
191.08537	3.9
193.10123	5.9
194.10890	3.1
195.08057	10.0
195.11768	7.8
197.09616	10.7
197.13344	8.0
199.07564	5.3
199.11162	7.0
199.14902	4.7
201.09203	3.4
203.06923	3.4
205.04965	10.8
205.10179	4.5
207.11742	6.0
209.09630	15.9
209.13289	4.8
211.11063	5.3
213.09143	3.8
213.12724	7.9
213.16196	3.1
215.10643	4.9
215.14255	4.1
217.10129	3.5
217.12044	4.9
219.11819	4.9
221.09749	3.9
221.13254	8.2
223.11156	10.9
223.14832	2.8
225.09183	3.5
225.12691	5.0
227.10703	5.7
230.10924	3.3
231.13786	4.9
233.09663	6.6
233.15317	2.8
235.11188	5.4
235.14755	3.5
237.09045	2.6
237.12704	6.0
239.10632	4.6
239.14383	3.9
241.12236	4.2
244.12534	2.6
247.11209	4.3
249.09067	3.2
249.12671	3.3
251.10689	4.2
255.10115	3.6
261.12805	4.2
263.10666	4.7
263.14328	6.3
265.12219	4.9
269.15558	4.3
273.12717	4.6
275.10834	2.9
275.14368	4.1
279.13797	2.9
281.15512	4.3
281.18616	3.0
283.16763	2.6
289.15723	2.7
291.13809	4.8
295.13318	2.7
295.16885	3.5
297.18439	3.2
303.13855	3.1
305.15292	5.4
307.13159	3.5
307.16586	3.5
309.15005	4.7
311.12842	2.8
315.13766	3.5
323.16223	2.9
333.14755	5.4
335.16525	3.6
347.20108	7.3
363.19687	4.0
364.20575	3.6
365.13821	3.1
365.20844	2.9
375.19522	9.3
379.15332	3.6
385.18188	3.9
393.20667	12.3
395.22372	3.7
403.18890	5.7
421.20267	15.5
439.21198	54.0
439.36404	4.4
440.21494	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	439.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
60.25971	0.8
63.34790	0.9
66.18243	0.8
67.05504	2.5
69.54865	4.8
79.05478	1.5
81.07060	1.0
82.46582	0.8
91.05486	2.3
95.04969	4.4
95.08612	1.5
105.03399	56.7
105.07019	1.6
107.08626	1.0
109.10160	1.8
119.08614	1.3
121.10149	1.2
123.04452	2.3
123.11739	0.7
133.10126	1.2
145.10159	0.7
147.04449	1.6
159.04472	1.0
159.11771	1.0
160.01518	1.1
173.02382	1.2
175.03914	22.1
188.01071	4.6
189.09096	4.6
201.05405	0.9
203.01741	1.1
203.03430	11.8
215.03419	2.6
216.04166	2.7
217.04919	0.9
218.02132	1.9
229.04970	3.0
231.02895	100.0
232.03238	2.7
233.04500	4.1
257.08041	1.8
271.09808	0.9
284.86035	0.9
299.09171	10.6
345.60272	0.9
439.26776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.3
53.03946	3.5
55.01873	0.7
55.05502	1.6
55.62695	0.4
57.07080	4.3
64.87521	0.3
67.05509	4.4
68.05826	0.5
68.57654	0.4
69.03422	0.9
69.07066	1.1
70.06593	1.8
71.04999	0.5
71.26652	0.8
72.08157	11.7
77.03928	1.3
81.03417	3.1
81.07072	2.7
81.59856	0.4
83.05002	0.8
83.08629	0.5
84.04507	0.5
84.08147	4.0
85.02911	0.7
85.06545	4.8
86.09713	1.6
91.05482	3.0
93.07050	2.0
95.04974	6.0
95.08607	4.8
96.08943	0.6
97.02896	0.6
97.06522	0.4
102.09163	1.1
104.05016	0.4
105.03394	100.0
105.07034	2.2
106.03732	1.5
106.07343	0.5
107.04967	0.5
107.08587	1.7
109.02893	4.7
109.10163	2.7
112.11246	5.0
114.09154	0.9
115.05475	0.6
117.07014	0.7
118.06546	0.8
119.04900	0.5
119.08548	2.1
121.06493	0.6
121.10175	1.3
122.06004	0.5
122.10493	0.6
123.11751	0.9
127.03892	0.4
129.07056	0.5
131.04834	0.4
131.08577	1.3
133.10118	1.2
134.06009	5.6
135.08104	0.6
135.11664	0.6
137.09535	0.4
141.13872	0.6
142.12265	4.5
143.08549	0.5
145.04877	0.4
145.06462	0.5
145.10127	1.2
146.10439	0.6
147.04414	0.5
147.08041	0.5
147.11630	1.0
149.02318	0.8
149.09575	0.4
149.13298	0.6
151.07599	0.5
156.13847	10.8
156.31728	0.4
157.10150	0.9
159.08015	0.6
159.11684	0.6
161.05983	0.4
161.10747	15.3
162.09143	95.6
163.09500	2.2
169.06462	0.5
169.10112	0.5
169.19972	0.4
173.13193	0.6
173.15172	0.4
176.10732	2.8
177.16396	0.4
188.07188	0.5
189.12721	0.5
193.04913	1.1
194.96649	0.4
197.09787	0.4
197.13223	0.4
199.14703	0.5
203.14275	0.5
213.19611	4.7
225.61246	0.4
233.16489	40.8
234.16814	1.7
239.10721	0.8
267.10080	0.6
283.14240	0.6
316.23840	37.4
317.22040	1.8
317.24625	0.7
336.20419	0.6
337.19131	3.1
354.21741	7.8
355.22263	0.5
359.86246	0.4
375.39056	0.4
421.26343	0.5
438.27515	11.4
438.34183	1.6
439.27277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03937	1.0
55.05497	0.9
57.07067	1.3
58.71805	0.3
60.61985	0.3
67.05508	0.9
69.07069	0.5
70.02334	1.5
70.06588	1.1
70.68037	0.3
72.08152	1.1
77.03949	1.2
78.85649	0.3
79.05501	0.8
81.03422	0.6
81.07058	0.7
84.08151	2.0
85.06562	0.5
88.07641	0.3
91.05499	0.5
93.07053	0.3
95.04958	1.8
95.08588	0.7
95.92540	0.3
97.02885	0.4
105.03391	100.0
106.03735	1.1
109.10146	1.2
112.11221	2.3
119.08578	0.6
121.10117	0.5
122.06010	0.7
134.06010	7.9
135.06239	0.3
139.37781	0.3
142.12206	0.6
144.10207	0.9
149.02313	1.2
161.09465	0.7
161.10741	7.3
162.09138	96.6
163.09479	1.9
166.38242	0.3
174.13632	0.4
175.12303	1.9
176.10709	9.0
193.04993	1.2
193.13403	0.5
203.23662	0.3
205.13390	0.4
207.34715	0.3
213.19624	0.7
228.23225	1.3
233.16489	26.6
234.16815	1.2
237.07603	1.1
316.23892	2.6
317.22137	2.5
336.20694	30.7
337.20917	1.0
354.21750	40.9
355.22058	1.8
438.19833	0.5
438.27902	7.4
438.34375	0.7
439.16437	2.3
439.27679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
55.05503	1.5
57.07077	63.5
66.76899	1.1
67.05486	3.6
69.03416	4.8
69.07053	2.2
70.06587	3.4
71.04983	2.4
71.51970	1.3
72.08147	1.5
73.61090	1.3
79.05473	1.4
81.03417	4.8
81.07052	3.5
85.02881	4.1
85.06548	16.2
85.36426	1.0
86.09682	1.8
87.00819	1.9
91.05496	2.0
93.07021	2.8
95.04958	1.8
95.08611	2.0
97.02881	1.9
99.04422	1.3
105.03387	1.5
105.07012	2.0
107.08563	2.1
109.02864	3.2
109.10145	3.2
114.45581	1.3
116.47325	1.1
119.08517	1.7
121.01972	1.1
121.02873	1.9
121.06522	1.3
127.03883	4.3
136.06201	2.3
142.08762	1.4
145.10136	1.5
147.04381	1.2
154.08612	6.1
155.14308	100.0
159.11743	1.4
173.15395	13.5
193.05025	1.3
227.56934	1.1
274.07086	1.5
315.13159	1.7
438.10764	2.5
438.20300	3.1
439.15817	1.7
439.22729	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22738	2.7
55.05499	12.4
57.03445	4.1
57.07073	6.4
59.05015	3.9
61.02923	5.4
66.56130	2.9
67.05483	3.8
67.70705	3.5
69.03429	19.0
69.07055	9.5
70.06577	3.6
71.04980	7.2
71.08615	9.9
71.52033	3.8
73.06240	3.6
73.06565	35.4
81.03417	8.9
81.07069	17.5
83.04983	4.0
83.08612	10.2
85.02903	29.8
85.06541	12.9
87.00820	9.2
91.05490	7.7
93.06998	4.9
95.08607	19.1
97.02882	9.8
97.10159	12.6
99.04462	5.9
105.01871	16.6
105.07018	6.7
107.08526	4.9
108.08192	3.0
109.02880	18.5
109.10168	4.7
113.13332	3.5
115.05405	3.6
119.08578	6.3
120.08162	4.1
121.06503	3.7
121.10138	3.9
127.03938	25.5
130.06509	4.2
132.14468	3.3
137.13243	35.3
145.05031	4.0
149.09721	3.2
155.14308	100.0
159.02907	4.2
162.05548	4.2
173.15369	58.7
177.05431	3.4
184.25664	3.5
228.15974	5.2
254.02287	3.4
334.67398	3.2
394.25592	4.6
438.28232	12.4
438.33954	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	438.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.4
56.05028	11.2
57.03428	3.0
58.99582	12.8
60.04503	2.2
61.01142	4.5
61.71801	1.6
67.05499	4.7
68.05021	6.0
69.03410	2.3
70.02947	6.5
70.06606	7.5
70.57778	3.5
70.58139	3.6
71.04990	2.9
72.04507	5.7
72.08144	1.5
74.00669	13.8
76.02237	23.6
76.04003	9.0
79.05476	2.5
80.05029	7.4
81.03406	3.0
81.05777	2.2
82.06567	1.9
83.06099	5.6
84.04507	100.0
84.08144	2.4
85.00656	2.5
85.01133	35.5
85.02900	6.6
85.04040	2.4
85.06569	1.6
86.00655	33.9
86.99053	64.0
87.02714	1.9
88.02190	3.2
89.00596	5.3
93.07040	2.3
95.04978	9.4
95.08601	2.3
96.04443	3.5
97.01122	7.5
97.06533	18.9
98.00638	2.6
98.06043	1.9
99.05584	3.1
100.02220	4.2
102.03774	19.8
102.05537	12.3
108.04498	3.2
109.07630	4.6
110.06023	2.3
112.02193	33.4
112.03956	3.7
112.07585	2.5
113.05999	2.5
114.03737	14.8
114.05517	3.3
116.01679	25.2
120.08089	2.9
124.02172	3.1
126.03719	3.4
127.02135	8.2
128.05212	1.8
128.07079	2.2
129.06587	4.8
130.03261	15.0
130.05003	32.3
132.01169	3.6
137.08362	4.1
137.09605	2.3
140.01645	2.8
142.03235	23.1
142.04997	1.7
143.02744	31.9
144.01140	4.9
145.05037	1.8
145.06078	4.3
147.04480	2.8
152.01593	1.8
152.05296	2.5
153.06604	2.8
155.08156	8.0
156.06555	3.9
158.02711	6.8
162.02203	11.4
169.04282	8.4
170.02791	2.5
170.06380	10.3
171.02258	6.5
172.07874	1.7
173.09201	2.6
177.03267	8.5
178.03229	1.7
179.04854	12.2
181.06119	3.5
184.06026	1.8
188.03741	1.9
188.05666	1.4
188.07388	4.8
189.03297	86.1
190.08676	2.0
196.04292	7.9
199.05331	1.8
199.07071	2.6
205.06526	8.2
206.08438	4.4
215.04863	49.8
217.06444	9.4
224.03735	3.8
228.54567	1.7
233.05937	13.4
241.06564	3.0
243.04283	1.7
257.09625	4.0
267.06870	2.2
273.09006	2.0
274.07181	7.5
287.06931	15.0
291.10083	35.3
307.08154	1.5
309.11209	3.5
311.05557	2.0
345.07410	3.8
345.11145	2.9
362.10236	4.7
420.13577	2.5
438.15424	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	437.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.0
55.05504	9.2
57.07059	6.5
57.07314	2.3
64.17377	2.1
67.05502	15.6
69.07072	21.5
69.26699	18.0
71.04999	36.6
71.64416	2.1
78.54100	2.3
79.05487	5.9
81.07050	29.1
83.08617	9.1
89.06026	22.2
91.05477	3.8
93.07057	12.1
95.04962	3.0
95.08611	53.0
97.10175	8.7
98.20735	5.0
105.07012	3.8
107.08598	21.2
109.10162	63.0
111.04460	2.4
111.11730	6.5
119.08569	6.4
121.10147	30.4
123.11709	30.3
128.06223	2.6
129.07016	3.1
131.08549	17.9
133.10106	6.1
135.11676	27.1
137.13264	24.6
142.07750	7.1
143.08551	13.5
144.96574	2.4
145.10139	20.0
147.11752	3.9
149.13274	14.3
155.08551	10.3
156.09305	4.8
157.10152	26.0
159.11697	6.1
163.14859	3.7
169.10150	11.2
170.10918	4.8
171.11700	48.6
172.08868	8.0
173.09708	12.9
173.13287	6.4
181.10103	2.6
182.10930	2.9
183.11679	20.1
184.08870	3.2
185.13260	7.9
187.11140	2.5
187.14815	2.6
191.17888	2.7
195.11670	13.5
196.12444	5.0
197.13269	19.1
199.11165	2.8
199.14780	15.6
203.17911	11.8
205.19524	100.0
206.20001	2.3
209.13341	7.2
211.14822	32.3
213.16449	4.7
217.12221	21.5
217.15816	3.7
223.14856	3.4
225.12651	2.9
225.16435	6.0
230.44130	2.4
231.17340	3.1
239.18079	2.8
241.15892	7.7
259.16943	7.4
267.17474	3.1
281.19104	18.4
319.29214	2.5
349.28864	45.1
351.26819	5.8
419.33139	30.8
437.34143	100.0
438.34204	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	437.3415
Annotation	Alertenone
Peak:m/z	Relative Intensity
51.42568	1.1
54.05391	0.9
55.05512	6.3
57.07079	2.3
65.03954	1.0
67.05501	10.8
69.07069	15.3
69.45948	7.8
79.05490	6.6
81.07052	23.3
83.04999	1.0
83.08616	4.5
91.05473	5.3
93.07047	12.9
95.04983	2.0
95.08607	41.6
97.10163	2.5
105.07041	10.0
107.08593	20.8
109.10149	24.6
111.08083	1.5
111.11724	4.5
117.07014	2.7
119.08579	15.8
121.06492	1.3
121.10140	18.2
123.08071	2.4
123.11696	18.8
125.09653	2.2
128.06325	1.1
129.06984	1.9
131.08554	8.6
133.10117	10.9
135.08099	1.1
135.11690	8.4
137.13275	3.5
139.11095	1.4
143.08565	3.8
144.09331	2.0
145.10115	8.0
147.11678	9.0
149.13258	8.5
155.08522	1.1
156.09346	1.3
157.10156	4.8
159.11687	15.1
161.13223	10.2
163.14798	6.3
169.10165	1.5
171.11681	6.4
173.13222	10.0
175.11224	1.2
175.14842	7.4
177.12787	3.4
177.16393	4.2
183.11670	1.7
185.13252	5.0
187.11067	1.3
187.14781	6.3
189.12727	7.8
189.16391	4.0
191.14288	1.3
191.17921	8.6
197.13260	1.2
199.14821	3.7
201.16429	4.5
203.14307	4.1
203.17992	3.0
205.16023	1.8
205.19583	2.8
209.13226	1.2
211.14908	1.6
213.16376	4.7
215.14447	1.3
215.18037	1.8
217.15938	1.8
217.19498	8.2
218.02151	1.5
219.21132	2.2
220.05588	0.9
225.16356	1.3
227.17850	1.7
229.08684	1.5
229.19614	1.0
231.17497	2.1
231.21130	4.2
233.04535	3.1
241.19577	2.1
243.17613	1.1
273.11115	1.1
281.22696	1.4
383.59299	1.2
391.33621	3.9
409.34689	4.9
419.32983	6.9
430.16031	1.1
437.34152	100.0
438.34528	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	437.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01868	2.0
55.05513	5.1
57.03429	1.0
57.07053	1.2
59.05009	2.0
65.03954	1.8
67.05509	13.2
68.99797	1.3
69.03425	3.6
69.07069	5.2
69.63478	7.4
72.45396	1.0
76.04407	0.9
77.03925	1.1
79.05492	8.3
81.03417	12.6
81.07064	7.1
83.04980	3.3
83.08602	1.7
85.06551	1.2
91.05477	12.2
93.07047	9.3
95.01335	34.8
95.01952	1.7
95.04372	1.9
95.04972	32.7
95.08611	5.4
96.05315	1.0
97.02894	1.3
97.06537	1.1
98.20772	2.3
103.05466	3.0
105.03395	22.7
105.04495	1.4
105.07030	17.9
106.03716	11.0
107.04021	1.8
107.04942	3.3
107.08583	7.1
109.06531	6.3
109.10160	7.3
111.04460	1.0
115.05433	2.9
116.06246	1.1
117.07024	4.9
119.04939	2.2
119.08579	14.1
120.08881	1.1
121.02869	1.1
121.06517	7.5
121.10126	4.8
123.04432	1.4
123.08149	1.5
123.11683	1.3
128.06259	5.1
129.06992	6.7
130.07738	1.8
131.04959	1.8
131.08562	6.9
133.06480	9.3
133.10147	6.6
135.04433	1.0
135.08058	3.2
135.11673	2.7
137.05966	2.1
137.09694	1.1
141.06982	3.8
142.07788	3.3
143.08566	12.4
145.06473	6.6
145.10130	11.0
147.04434	2.5
147.08035	5.4
147.11679	5.4
149.02367	2.3
149.06013	2.9
149.09621	2.2
149.13193	1.0
151.07568	1.4
153.06998	3.3
154.07767	1.9
155.08568	8.5
156.09303	5.2
157.06508	2.4
157.10126	11.9
159.04388	1.2
159.08038	5.2
159.11702	5.5
161.05992	15.1
161.09605	2.7
161.13266	1.7
163.07553	4.6
165.06969	2.5
166.07785	2.5
167.08517	6.1
168.09357	4.6
169.10132	17.2
170.10922	4.0
171.08017	7.8
171.11702	9.7
173.06030	2.3
173.09665	3.0
173.13264	3.3
175.03905	3.9
175.07555	7.0
176.04272	3.7
177.09128	1.3
178.07787	3.0
179.08514	5.6
180.09288	1.5
181.10110	10.1
182.07262	2.0
182.10927	2.6
183.08009	6.7
183.11722	16.1
185.05966	2.3
185.09645	4.6
185.13255	8.4
187.03946	2.0
187.07562	4.4
187.11182	1.5
187.14854	3.5
189.05629	5.9
189.07021	1.1
189.09164	3.9
189.12755	1.5
191.08575	1.6
191.10661	2.5
192.09357	2.7
193.04971	3.7
193.10135	9.3
195.08095	4.2
195.11626	7.7
196.08868	1.7
197.05974	2.0
197.09656	6.0
197.13239	4.1
199.07605	2.2
199.11198	2.7
199.14865	1.4
200.79982	1.0
201.05482	2.8
201.09126	3.6
201.12741	3.4
202.07733	2.6
203.06973	2.7
203.08652	3.3
203.10657	2.4
204.09351	3.1
205.04881	2.3
205.06682	1.5
205.10118	4.6
206.10899	3.3
207.08084	4.4
207.11707	8.2
208.08675	1.4
208.12379	3.0
209.09581	6.6
209.13309	5.2
210.14001	1.5
211.07593	4.4
211.11171	4.1
211.14833	2.2
212.08238	1.3
213.05341	1.5
213.09091	1.8
213.12752	5.6
215.07047	3.6
215.10587	1.4
216.09367	1.8
217.10222	2.5
218.11020	2.3
219.08118	4.4
219.11633	5.8
220.08839	2.3
220.12497	2.0
221.09660	5.2
221.13255	6.9
222.10342	1.3
223.07414	1.6
223.11234	4.4
223.14836	3.7
225.09146	3.8
225.12761	3.4
225.16415	4.9
227.07071	2.7
227.10767	3.6
228.07086	1.6
229.08441	2.8
229.10307	1.6
229.12224	11.7
230.08925	1.6
230.10895	2.1
231.08012	1.6
231.11726	4.1
231.13873	6.1
232.08807	2.0
232.12447	2.3
233.09598	4.6
233.13246	4.9
234.10405	2.7
235.07536	2.6
235.11113	7.7
235.14810	4.6
237.09161	3.6
237.12746	3.6
237.16441	1.4
239.07031	2.3
239.10663	3.8
241.08478	2.1
241.12288	2.1
243.11697	3.0
243.13895	1.8
244.08659	1.8
244.12621	1.4
245.09695	3.6
245.13271	4.4
245.15440	2.5
246.10413	2.8
246.14154	1.3
247.11194	8.9
247.14836	3.5
248.11986	2.4
249.09152	3.2
249.12704	5.8
249.16418	1.2
251.10719	3.4
251.14340	3.6
253.08466	2.7
253.12300	2.2
256.08820	1.7
257.09479	1.3
257.13351	1.6
258.10477	2.0
258.13928	1.2
259.11288	5.9
259.14731	2.4
260.11984	2.4
261.09164	1.6
261.12811	7.6
261.16318	2.9
262.10092	2.1
262.13541	1.6
263.10751	2.1
263.14304	4.1
265.12265	1.7
267.10330	2.5
267.13779	2.9
269.11801	1.3
269.15552	2.0
271.11200	4.2
272.11929	2.6
273.12891	5.7
274.13373	2.6
275.10703	4.5
275.14371	4.5
276.11288	2.1
277.08755	2.6
277.12299	3.0
277.15979	2.9
278.12979	1.5
279.10251	2.8
279.13699	1.4
281.15372	2.3
283.13535	1.7
285.12729	4.6
285.15799	1.4
286.13586	1.7
287.11026	1.3
287.14392	5.8
288.11624	1.7
288.14877	2.2
289.12286	3.3
289.15820	3.5
290.12881	1.6
291.10202	3.0
291.13846	2.9
291.17361	1.8
293.11792	4.3
295.13297	1.4
295.16946	2.4
298.13583	1.7
299.14313	2.7
301.12244	2.2
301.15689	2.8
302.13092	1.5
302.16446	1.4
303.13840	3.2
303.17502	6.1
305.11945	2.5
305.15472	2.4
307.13327	3.6
307.16760	2.5
309.14984	1.9
312.14929	1.2
313.12378	2.1
313.15866	4.2
315.14063	3.7
315.17584	3.2
316.14603	1.5
317.11880	2.9
317.15488	3.7
319.13412	2.3
319.16968	8.7
320.17508	1.6
321.14850	1.8
323.12766	1.5
323.16473	1.4
329.18759	1.7
331.13235	4.8
331.16968	6.8
333.14868	6.8
333.18567	3.3
335.12827	2.0
335.16367	8.8
337.10532	1.9
341.15338	2.3
345.18552	5.1
347.16324	2.5
347.20074	3.9
349.14380	2.4
349.18079	4.4
351.16010	3.1
355.16797	2.4
357.18524	3.4
359.12683	4.3
359.16489	7.3
360.17099	3.8
361.14398	3.7
362.18875	2.9
363.19586	5.1
365.21100	2.3
373.17984	10.4
374.18259	1.9
375.19571	21.2
377.13684	1.7
377.17627	18.4
379.15393	4.5
383.16336	2.4
391.19064	15.8
393.20679	19.4
395.18668	2.6
401.17355	10.6
402.17773	1.6
409.20401	2.0
419.18488	21.0
437.19617	100.0
437.33807	6.1
438.19824	10.0
455.20901	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	437.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16809	1.6
53.03959	4.4
55.01872	2.6
55.05504	7.4
57.07081	1.7
57.95361	1.5
61.67009	1.6
61.95449	1.7
65.03931	4.2
67.05508	44.9
69.03446	3.9
69.07070	7.0
70.07751	7.2
77.46965	1.9
79.05497	12.7
81.03416	10.8
81.07070	18.4
83.04977	2.7
83.08621	6.0
85.06559	2.9
91.05481	14.6
93.07059	15.3
95.01332	19.0
95.04974	100.0
95.08607	12.7
97.02855	2.9
97.06503	2.4
98.21487	2.4
105.03391	18.4
105.07037	20.7
106.03748	7.5
107.04971	3.2
107.08588	11.0
109.06539	5.3
109.10163	15.0
113.05993	2.0
117.07027	7.6
119.04945	2.0
119.08584	14.9
121.02849	2.3
121.06519	7.1
121.10154	6.8
123.08025	2.3
123.11720	2.4
128.06247	3.3
129.07045	4.7
131.08554	8.3
133.06482	9.6
133.10156	9.0
135.08049	4.1
135.11678	6.6
141.06955	2.1
142.07759	3.7
143.08557	6.1
145.06476	2.4
145.10138	10.1
147.08031	5.4
147.11705	5.3
149.09610	3.9
151.03818	1.9
153.06958	2.0
155.08571	6.3
156.09389	5.0
157.10161	6.2
159.08067	4.6
159.11732	6.4
161.06020	6.1
161.09625	1.6
161.13228	3.8
163.11191	7.0
163.14835	2.4
165.07042	3.6
167.08626	2.8
168.09224	2.5
169.10121	6.9
170.10896	2.1
171.08032	4.9
171.11693	7.6
173.09564	3.1
173.11781	4.2
173.13283	4.4
179.08508	3.9
179.53265	2.0
180.09329	2.0
181.10150	5.0
181.12267	2.5
183.11618	9.6
185.09624	3.3
185.13260	5.1
187.14894	3.0
192.09340	3.1
193.10156	5.7
194.10953	2.5
195.08141	1.9
195.11664	8.1
197.09680	2.3
197.13306	7.1
199.11014	2.1
199.14835	3.9
203.14293	1.7
205.04958	4.2
206.10934	2.0
207.11665	5.9
208.12589	2.1
209.09616	3.5
209.13292	6.3
211.11200	3.4
216.09271	2.6
219.06546	4.2
219.11786	2.4
220.12439	3.4
221.13412	4.8
222.13977	2.2
223.11240	2.4
223.14841	5.2
224.15550	2.2
225.12794	6.2
225.16400	3.0
227.12695	3.8
229.12299	3.0
231.11703	3.7
233.09636	2.5
233.13159	3.9
235.11267	5.8
235.14781	4.2
237.12704	3.6
237.16380	3.4
243.13861	3.6
245.09520	2.4
247.11232	3.6
249.12746	5.3
249.16475	3.1
253.12381	4.1
253.15915	2.8
257.13275	3.6
260.11661	1.9
261.12869	3.7
263.14307	3.9
267.13788	2.0
272.12048	2.7
274.13663	2.6
275.14297	3.1
277.15863	3.5
279.13828	2.3
289.15851	2.9
295.17026	4.4
303.17282	2.9
305.86298	2.2
315.14365	2.3
363.19327	3.7
364.49496	2.1
373.18234	2.6
391.19589	3.6
401.17850	2.4
403.22830	1.8
419.18771	3.2
419.33105	3.2
437.19510	24.5
437.25372	6.5
437.34424	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89727	1.5
53.03930	2.6
55.01857	3.8
55.05511	7.2
57.03442	2.4
57.07060	2.3
57.72811	1.6
59.04986	1.7
59.94550	1.4
65.03924	6.3
67.05506	50.1
69.03410	4.9
69.07066	5.7
71.52979	2.9
72.08174	1.8
79.05492	11.0
81.03429	11.9
81.07056	17.6
83.04987	3.6
83.08604	4.0
85.02915	2.0
85.06523	1.9
89.10650	1.4
91.05480	15.6
93.07038	16.6
95.01335	20.5
95.04969	100.0
95.08614	11.4
96.05300	2.2
97.06514	3.2
97.10167	3.0
103.05465	3.0
105.03397	17.5
105.07041	18.7
106.03706	5.6
107.03916	1.8
107.04949	4.5
107.08601	13.2
109.06518	4.2
109.10149	11.5
111.04434	1.6
115.05440	2.2
117.06992	7.5
119.04927	1.7
119.08581	15.5
121.06515	7.8
121.10136	6.3
123.08040	3.9
123.11680	2.2
128.06187	3.3
129.06979	4.7
131.08540	6.6
131.47229	1.4
132.47520	1.6
133.06488	8.4
133.10101	6.7
135.08037	5.9
135.11713	7.6
141.06981	2.0
142.07788	3.8
143.08519	7.8
145.06494	5.4
145.10114	9.3
147.04410	2.1
147.08054	4.3
147.11659	4.4
149.02359	3.3
149.05925	1.7
149.09599	1.7
149.13332	1.7
151.03835	2.5
153.07018	3.0
155.08571	4.9
156.09302	4.1
157.10152	8.8
159.08018	3.5
159.11665	5.5
161.05977	8.0
161.09642	2.4
161.13203	2.2
163.11195	4.3
165.07016	2.9
166.07785	2.2
166.94601	1.7
167.08580	4.3
168.09274	2.5
169.10149	10.0
170.10876	6.3
171.08063	5.7
171.11716	9.4
173.05995	1.8
173.09573	5.6
173.11772	2.9
173.13200	1.9
175.03970	3.1
175.07608	3.0
175.11040	1.6
175.14868	1.7
179.08531	7.5
181.06490	1.9
181.10129	6.1
182.10847	2.9
183.08049	3.4
183.11685	9.2
184.12361	1.8
185.05971	2.1
185.09605	3.9
185.13260	8.0
187.11191	2.4
189.16374	3.0
192.09366	3.1
193.04974	6.5
193.10127	6.4
194.11037	2.2
195.08081	2.5
195.11713	5.3
196.12396	1.8
197.09587	3.9
197.13217	6.8
199.11253	2.9
199.14813	1.9
201.16504	2.5
203.08733	1.9
203.10727	1.8
205.04996	3.2
205.10069	3.0
206.10939	4.1
207.11676	8.2
208.12488	3.8
209.09589	4.2
209.13264	6.6
210.13805	1.6
211.11200	4.8
211.14746	3.0
213.12775	2.6
215.10591	1.8
215.14229	1.9
217.10228	3.4
218.10957	1.6
219.06389	3.3
219.11731	2.2
220.12296	1.8
221.13217	6.0
222.14082	2.4
223.11166	3.4
223.14821	6.6
224.15388	3.3
225.12721	5.5
225.16396	3.9
227.12697	4.6
229.10184	2.1
229.12271	4.2
231.11732	2.6
232.12422	2.6
233.13132	3.0
234.13867	1.9
235.11252	3.6
235.14815	3.4
237.12901	3.9
237.16301	3.1
239.14316	3.4
243.13821	1.9
244.12369	2.0
245.13264	2.7
247.11096	4.5
249.12778	5.5
251.10416	1.5
251.14336	3.8
253.12216	4.4
253.15967	2.1
259.11142	2.0
260.12054	1.8
261.12756	5.8
261.16370	1.7
263.14371	3.2
267.13864	3.2
270.13864	2.1
272.11966	2.5
273.12622	3.7
274.13757	2.0
275.14105	3.1
277.15829	3.8
279.13733	1.9
287.14429	2.2
295.17206	2.7
303.13934	2.5
303.17368	2.3
345.18045	2.5
347.16492	2.2
353.13263	1.7
359.12585	2.0
363.19473	2.2
373.18079	3.6
375.19479	2.0
391.18848	5.8
399.10922	1.5
419.18448	5.1
437.19867	26.0
437.25217	4.9
437.34668	12.9
438.20044	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	437.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.6
53.03944	3.6
55.01879	3.7
55.05506	6.2
57.07093	1.6
59.05021	2.0
65.03938	4.5
65.24595	1.5
67.05508	18.3
69.03434	6.6
69.07077	7.7
69.76860	3.4
69.77274	6.1
79.05491	15.1
81.03415	16.5
81.07047	12.3
83.04993	5.2
83.08644	2.7
84.29026	1.7
91.05486	19.3
93.07048	21.8
95.01333	61.2
95.04971	41.2
95.08613	11.4
97.02919	3.9
97.06559	2.5
98.20759	3.4
103.05518	5.5
105.03418	4.3
105.04532	2.2
105.07034	30.0
107.04972	7.5
107.08612	9.9
109.02955	2.2
109.06496	8.0
109.10197	6.4
111.08092	1.6
115.05491	3.5
117.06981	9.7
119.04939	4.1
119.08590	17.4
121.02896	4.1
121.06523	17.6
121.10180	6.4
123.04500	2.9
123.08089	2.9
123.11683	2.7
125.86172	1.4
128.06219	8.6
129.07019	13.2
130.07770	3.8
131.04964	4.9
131.08575	11.5
133.06493	14.4
133.10120	8.1
135.08078	4.7
135.11731	3.6
137.06000	1.8
141.06998	9.8
142.07776	9.6
143.08560	20.3
144.09425	1.6
145.02847	2.0
145.06494	7.5
145.10117	15.7
147.04422	3.0
147.08080	7.1
147.11687	4.6
149.06030	3.9
149.13344	2.1
150.40909	1.6
152.06187	2.7
153.07033	5.9
154.07878	4.2
155.08562	13.9
156.09335	8.3
157.06570	3.6
157.10110	18.1
158.07277	2.9
159.04483	5.1
159.08095	9.2
159.11752	8.1
160.12604	1.6
161.05995	30.4
161.09686	4.3
161.13245	2.4
162.06511	2.1
163.07620	1.7
165.06985	10.8
165.09148	1.4
166.07828	5.3
167.08516	9.1
168.09364	7.6
169.06514	3.1
169.10117	16.3
170.10957	3.6
171.08026	10.9
171.10512	1.8
171.11667	9.9
173.05997	3.9
173.09698	4.2
173.13284	4.6
175.07639	4.7
175.11285	2.6
177.05481	2.9
178.07852	5.2
179.08543	13.1
180.09291	7.3
181.06577	5.1
181.10118	14.2
182.07275	2.4
182.10986	5.0
183.08121	7.0
183.11707	20.7
184.12492	2.1
185.09621	10.3
185.13249	12.3
187.07585	3.8
187.11186	3.8
189.05559	4.0
191.03441	2.7
191.08670	3.4
192.09444	6.3
193.05060	3.3
193.10088	14.6
193.16017	4.3
194.10956	5.9
195.08107	5.3
195.11702	17.4
196.08900	5.8
196.12553	1.9
197.05957	1.7
197.09564	7.4
197.13268	9.7
198.10355	2.5
199.07576	1.8
199.11281	5.3
199.14938	3.7
201.05493	2.7
201.12709	1.7
201.16479	2.7
202.07726	2.0
203.06949	2.0
203.08658	3.0
204.09386	2.1
205.04921	9.6
205.10176	6.6
206.10995	4.9
207.08093	4.3
207.10043	2.2
207.11717	11.3
208.08841	2.7
208.12453	2.7
209.09720	8.1
209.13199	8.8
210.10471	2.1
210.14128	4.1
211.07733	1.8
211.11194	17.6
211.14911	5.3
213.09187	3.3
213.12779	7.7
215.08699	3.1
215.10574	3.1
217.04933	2.1
217.10202	4.3
217.12361	2.1
218.10924	3.4
219.08183	3.5
219.11708	7.8
220.08849	2.8
220.12526	4.2
221.09616	8.5
221.13104	7.3
222.10350	4.0
222.13985	2.6
223.07710	1.9
223.11293	6.0
223.14844	4.1
224.15463	1.7
225.09282	3.3
225.12743	8.3
227.10770	3.4
227.14417	2.9
228.15257	3.2
229.10181	4.7
229.12367	6.4
230.10934	3.6
231.08221	2.3
231.11722	4.8
231.13818	2.5
232.08864	4.1
232.12508	3.3
233.09599	11.9
233.13344	4.9
234.10587	2.3
234.14017	3.0
235.07669	2.6
235.11261	9.8
235.14900	6.5
236.12013	2.6
237.09119	2.2
237.12727	8.8
239.10632	7.3
239.14436	3.8
239.18019	2.4
241.12366	2.5
243.11688	3.5
243.13913	3.3
244.12607	2.4
245.09744	5.2
245.13293	3.6
245.15465	2.3
246.10458	4.0
246.13954	2.1
247.11191	9.1
247.15076	2.8
248.12057	7.2
249.09258	2.3
249.12830	5.5
249.16536	5.3
251.10724	4.2
251.14284	2.2
253.08615	2.9
253.12398	2.4
259.11151	3.8
259.14908	2.1
260.12033	3.8
261.12805	4.1
261.16605	2.3
262.13568	2.9
263.10770	3.7
263.14349	4.8
265.12393	4.4
267.13931	5.2
267.17538	5.7
272.12177	4.1
273.12885	4.7
275.11063	2.3
275.14435	7.0
277.12903	2.1
277.15961	6.2
278.16821	2.5
279.14148	2.1
279.17548	2.9
280.18283	1.7
282.16296	2.7
285.12579	2.3
287.14386	3.9
288.15152	2.3
289.12296	2.8
289.15826	2.9
290.16739	3.7
291.13776	2.0
293.15472	3.0
295.13760	3.6
295.16672	10.0
300.11551	3.9
301.15860	3.4
303.13885	3.0
303.17346	2.2
305.15570	4.3
307.17361	1.8
308.17749	2.4
309.14963	1.7
310.07040	2.3
310.10779	2.5
311.11218	6.9
313.18127	6.2
315.13965	4.7
315.17398	2.1
317.11960	2.7
317.15561	2.3
317.19107	2.9
319.13376	3.9
321.15070	2.0
323.16345	3.0
327.17508	2.2
331.13321	5.2
333.15045	6.7
339.10428	3.4
345.18484	3.8
347.16409	4.6
347.20230	2.9
349.14407	3.0
351.15973	2.7
355.16714	2.4
359.12927	2.4
361.18079	1.9
362.18661	8.1
363.19760	7.3
373.17905	9.8
375.19623	3.4
377.13672	3.1
391.19223	11.7
401.17706	6.0
407.12976	7.3
409.20081	2.1
419.18607	14.0
419.33322	2.7
420.19131	2.4
437.19257	100.0
437.34146	17.0
438.19791	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	437.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.8
55.01868	6.8
55.05495	5.2
57.03394	2.4
65.03947	3.4
67.05505	32.9
68.87000	2.2
69.03419	10.9
69.07063	6.7
69.25821	23.8
79.05482	8.9
81.03073	2.3
81.03429	27.8
81.07063	14.9
83.04973	3.0
85.82159	2.5
91.05483	18.1
93.07031	15.5
95.01326	66.5
95.04964	100.0
95.08594	8.1
97.02876	5.5
97.06558	4.0
97.10188	2.5
98.20806	4.2
103.05458	3.5
105.03388	6.8
105.07027	22.7
107.04935	6.3
107.08588	7.9
109.06504	5.3
109.10139	7.5
115.05450	3.9
117.07014	8.4
119.08570	13.8
121.06496	15.1
121.10128	4.4
123.04411	5.3
128.06219	7.0
129.07004	10.4
131.04924	4.7
131.08582	10.3
133.06506	13.9
133.10132	5.8
135.04353	2.5
135.08107	3.3
141.06921	8.6
142.07829	12.4
143.08546	30.8
145.06441	12.3
145.10097	16.8
147.04407	4.6
147.08020	4.6
147.11719	5.7
149.05940	5.9
153.06995	9.0
154.07799	5.2
155.08536	22.8
156.09346	5.7
157.06569	6.0
157.10115	28.3
158.07242	2.7
159.08107	12.1
159.09244	2.4
159.11694	9.5
161.05954	10.7
161.09598	4.7
163.07597	2.8
165.06969	9.2
166.07719	7.8
167.08582	13.5
168.09346	4.4
169.06479	3.1
169.10114	19.2
170.10905	11.6
171.08044	20.6
171.11696	13.3
173.06027	3.4
173.09628	6.9
173.13158	4.9
175.07578	10.9
178.07785	8.0
179.08527	18.1
180.09377	4.9
181.06567	4.9
181.10094	20.1
182.07245	3.7
182.10898	8.0
183.08020	11.1
183.11694	15.2
184.08879	3.2
185.09671	7.0
185.13295	5.3
187.11151	2.9
187.14755	3.5
190.07735	3.4
191.08531	7.9
192.09300	9.0
193.05055	11.7
193.10138	22.3
194.07297	5.0
194.10895	5.4
195.08113	12.9
195.11644	18.7
196.08839	4.8
197.09595	15.9
197.13260	8.6
199.07553	4.3
199.11208	13.6
199.14841	5.2
201.05428	3.3
201.12634	2.8
202.07829	6.4
203.08601	7.5
204.09328	5.2
205.10188	11.7
206.10899	6.7
207.08026	8.5
207.11667	16.5
208.08810	5.2
209.09631	20.3
209.13280	12.8
210.10144	2.9
210.14220	3.1
211.07524	6.6
211.11182	11.4
211.14790	3.6
213.09247	4.2
213.12714	6.4
215.08713	3.6
217.10114	11.0
218.10918	7.0
219.08107	9.3
219.11703	13.8
220.08868	5.1
220.12355	2.4
221.09645	19.8
221.13142	11.2
222.10361	3.2
223.07596	4.2
223.11182	9.9
223.14842	4.0
224.11983	3.2
225.09061	6.6
225.12727	8.1
226.52205	2.4
227.10701	7.5
227.14307	11.5
229.10159	5.5
229.12204	5.3
230.10857	4.2
231.08118	4.3
231.11746	5.9
232.08833	5.9
232.12460	2.9
233.09627	13.2
234.10289	5.1
235.07654	11.3
235.11160	24.6
235.14864	7.2
236.11943	7.0
237.09114	8.5
237.12764	11.1
239.10646	5.3
239.14319	5.5
245.09492	5.6
245.11789	10.6
246.10451	3.5
247.11221	17.2
248.12022	7.8
249.09241	5.4
249.12660	6.8
249.16307	6.5
251.10571	5.8
251.14383	6.5
253.08463	6.8
253.12367	4.2
255.10060	2.9
255.13954	3.1
257.09607	2.9
259.11292	4.8
260.11899	5.1
261.09030	2.6
261.12753	7.0
262.13580	3.6
263.10654	7.5
263.14316	10.6
265.12225	4.3
267.13727	3.8
267.17505	4.1
269.15390	3.6
270.10242	3.4
271.10858	3.6
273.12619	5.6
275.11032	4.3
275.14404	7.2
277.12314	2.5
277.15656	12.8
278.16656	5.3
279.13757	7.5
279.17368	5.0
285.12708	5.6
287.14346	4.3
288.15094	3.4
289.12314	4.3
289.15735	5.3
291.10373	4.6
291.13794	9.9
293.11777	4.4
295.13516	4.2
295.16830	8.0
298.09473	3.6
299.10468	4.5
300.11389	4.7
301.12149	4.0
302.12906	4.2
303.13849	6.3
305.11594	2.9
305.15332	7.7
306.15903	3.2
307.13458	3.7
307.16864	5.8
309.14682	3.1
313.18320	3.0
315.13736	8.9
317.18799	2.7
319.13431	4.7
321.14825	3.4
323.16379	4.4
324.17343	3.2
331.13159	20.2
333.14844	10.8
334.15540	3.7
341.11728	3.1
345.18567	4.7
347.20166	2.9
349.14352	3.4
351.15958	16.4
352.16528	10.8
359.12650	9.7
362.18729	5.7
363.19498	5.9
369.16959	13.6
373.17892	10.9
377.13824	8.0
381.13629	3.6
391.19174	25.4
392.18979	3.2
401.17581	8.2
419.18393	24.5
419.33154	4.6
437.19543	73.4
437.34000	11.7
438.19858	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	437.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69508	0.9
53.03946	4.7
53.94617	1.0
55.01867	1.4
55.05491	1.9
65.03931	2.4
67.05180	1.2
67.05510	16.5
69.03430	2.1
69.07072	1.7
69.76739	3.2
69.77152	2.3
77.03917	1.1
78.36315	1.1
79.05495	4.5
81.03432	6.3
81.07045	2.1
83.08598	1.3
85.06538	2.6
85.20675	0.9
91.05492	4.9
93.07072	4.7
95.01322	14.3
95.04966	56.1
95.08628	1.9
105.03392	100.0
105.04515	3.1
105.07036	8.3
106.03732	1.7
107.04948	1.6
107.08568	3.3
109.06516	2.6
109.10152	1.7
117.07017	1.8
119.08569	3.8
121.06506	4.4
121.10162	1.2
123.04459	2.2
123.07992	1.1
128.06224	2.0
129.06999	2.7
129.62770	1.0
131.04926	1.6
131.08566	3.5
133.06491	4.0
133.10110	2.6
135.08055	3.3
141.07022	1.1
142.07777	2.0
143.08598	2.3
145.06493	1.7
145.10136	2.1
147.08035	2.1
147.11751	1.4
149.06007	1.0
153.05736	0.9
153.07094	1.0
155.08560	3.7
156.09264	1.6
157.10162	3.6
159.07979	1.8
159.11722	1.5
161.05995	6.8
161.09673	1.3
163.07498	1.2
166.07597	1.2
167.08583	3.6
168.09337	1.5
169.10097	3.9
170.10933	2.0
171.08015	5.4
171.11696	4.0
173.09595	1.3
173.13307	1.2
175.03937	2.3
175.07542	2.4
179.08554	3.6
180.09410	1.3
181.10046	3.2
182.10841	1.3
183.11696	2.9
185.09688	1.9
185.13342	4.6
187.03886	1.3
189.05496	1.3
189.09120	5.3
190.07835	1.0
191.08377	1.1
192.09296	2.0
193.10162	3.8
195.08083	2.9
195.11734	2.3
197.09583	2.4
197.13272	3.3
198.92514	1.1
199.03851	1.5
201.12703	1.0
203.08575	1.9
205.10149	1.3
206.11008	1.1
207.08221	2.2
207.10100	19.6
207.11766	2.9
209.09587	2.6
209.13226	3.2
211.11183	2.3
213.05513	1.0
213.12727	1.3
217.10150	1.9
219.11713	2.2
221.09656	1.8
221.13255	4.3
222.10423	1.3
223.11249	1.9
223.14810	3.6
224.15555	1.8
225.12726	3.9
225.16293	1.2
227.10620	1.6
229.12192	1.9
231.11787	1.5
231.13712	1.1
232.12462	1.5
233.09662	2.4
233.13203	2.0
235.11192	3.3
235.14841	2.6
237.12712	1.9
241.08592	4.3
241.12279	1.3
246.10297	1.4
247.11018	1.6
249.12767	2.4
251.14394	1.5
253.12227	1.4
257.13168	1.3
259.14835	1.1
261.12735	2.6
262.13428	1.3
263.10788	1.3
263.14285	2.4
267.13834	1.7
268.14557	1.0
273.12708	1.2
275.10925	1.6
275.14279	2.6
276.15192	1.0
277.15866	1.8
279.13562	1.4
281.15414	1.3
284.01413	1.2
285.12738	2.1
289.12314	1.0
289.15793	1.9
291.13733	1.4
293.11823	1.4
293.15454	1.3
295.16925	1.4
297.14804	1.6
300.14914	1.0
301.16211	1.3
303.13773	1.2
303.17313	1.6
305.11646	1.2
307.13132	1.9
312.48331	1.1
314.16541	1.1
315.13864	1.2
327.17307	1.0
333.14728	1.3
345.18680	1.6
359.12381	1.5
359.16568	1.6
362.18829	1.4
363.12326	1.6
373.17957	2.9
375.19604	2.3
377.17514	3.9
391.19321	4.6
393.20471	2.9
401.17569	1.4
419.18576	3.2
437.19620	25.2
437.34439	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1958
Annotation	Ligulacephalin A
Peak:m/z	Relative Intensity
55.01279	2.5
55.05499	5.5
67.05506	14.0
69.07059	9.8
69.40719	26.0
72.00151	2.5
73.35580	2.8
79.05502	8.6
81.03410	8.6
81.07059	7.6
83.08633	4.8
91.05468	13.1
93.07053	8.1
95.01336	34.1
95.04970	30.8
95.08603	5.4
97.02898	3.6
97.79449	3.0
101.20022	3.1
101.81219	3.0
105.03385	30.3
105.07051	14.9
107.04937	4.3
107.08593	5.0
109.06552	4.8
109.10216	7.2
111.36980	2.9
115.05466	5.2
117.07010	5.8
119.04956	3.5
119.08578	9.0
121.06520	8.2
121.10094	2.8
123.04493	3.5
128.06177	5.3
129.07021	3.4
131.04959	3.8
131.08568	5.1
133.06511	6.7
133.10117	6.0
135.11746	2.9
141.06992	4.8
142.07825	4.0
143.08540	8.8
145.06500	8.8
145.10168	9.8
147.11787	4.3
155.08556	10.3
157.06506	3.4
157.10175	9.6
159.04335	2.9
159.07947	4.0
159.11722	3.8
161.06021	12.2
163.07701	3.2
168.09375	3.4
169.10136	14.8
170.10864	3.5
171.08089	8.7
171.11671	4.5
175.03979	9.0
175.07521	4.5
179.08560	6.1
181.06549	3.5
181.10144	12.8
183.11720	11.0
185.09700	4.8
187.03967	6.4
193.10229	6.7
195.08025	7.1
195.11769	6.6
197.05969	5.9
199.07393	3.3
201.05418	3.8
201.09126	3.4
205.10249	4.2
207.11806	6.4
209.09673	3.6
211.07657	4.0
211.11159	3.8
213.12779	5.5
215.06984	5.8
219.11636	5.8
221.09618	5.6
223.07632	4.6
223.11246	5.0
223.14880	3.9
226.07745	3.7
229.08620	10.9
229.12181	5.1
230.10951	3.5
231.08211	4.0
231.11816	5.7
233.09608	4.9
233.13101	4.8
235.11166	4.6
237.12703	3.9
239.10826	3.3
241.08604	5.4
247.11247	6.9
248.12056	3.4
248.51332	3.0
249.09094	4.0
249.12851	5.6
251.10658	3.2
251.14310	5.9
253.08591	4.2
258.10364	3.2
259.11212	5.6
260.12076	4.4
261.12695	6.9
263.10822	3.2
263.14322	5.8
265.08682	3.4
271.11145	4.8
273.12784	4.5
275.10764	2.9
275.14127	3.2
277.08337	3.8
277.12103	5.5
277.15863	4.4
287.14481	6.1
289.12396	4.5
289.15689	4.6
293.11673	3.9
303.13770	5.5
303.17206	3.9
305.11285	3.7
319.17068	4.6
331.13275	4.2
331.16876	5.2
333.14862	6.3
347.16415	3.2
357.18869	3.8
359.16577	10.0
363.19562	6.6
373.18008	8.8
375.19525	12.5
377.17560	13.3
391.19159	11.6
393.20758	11.0
401.17508	3.8
419.18384	17.7
437.19601	100.0
438.19864	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	437.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01867	2.4
55.05500	2.2
57.03427	0.7
62.23470	0.9
65.03932	2.3
67.01863	1.6
67.05506	10.1
69.03428	2.5
69.07059	2.7
69.85413	2.4
69.85828	1.8
77.03956	0.7
79.05502	7.5
81.03420	5.8
81.07060	5.4
83.04973	1.1
83.08612	0.9
84.27017	0.7
91.05483	12.0
93.07058	8.0
95.01331	100.0
95.04970	26.8
95.08611	3.3
96.01624	0.9
97.02885	1.1
97.06515	1.1
103.05457	2.1
105.03377	1.0
105.07037	18.8
107.04963	3.9
107.08580	4.3
109.02892	1.2
109.06539	2.9
109.10171	2.0
115.05423	3.8
117.07016	5.5
119.04947	1.6
119.08578	8.3
121.02865	1.4
121.06511	4.9
121.10127	2.3
123.04448	1.7
123.08065	1.5
128.06221	6.0
129.07053	5.1
130.07774	1.4
131.04912	2.3
131.08575	9.4
133.06502	9.1
133.10179	3.5
135.08046	3.0
137.05983	1.3
137.09662	0.9
141.07013	3.3
142.07780	3.5
143.08566	10.3
144.09306	0.7
145.02850	2.5
145.06491	6.2
145.10132	8.2
147.04420	1.7
147.08052	5.8
147.11691	3.1
147.57782	0.7
149.05942	1.9
149.09650	1.2
151.07487	0.9
152.06232	1.2
153.07019	3.0
153.37968	0.7
154.07776	2.1
155.08553	6.8
156.09343	2.2
157.06537	1.7
157.10124	7.0
158.07271	1.2
159.08047	5.7
159.11655	2.3
161.05986	18.9
161.09636	2.3
163.07538	1.5
165.06960	3.4
166.07767	2.6
167.08597	4.9
168.09329	2.2
169.06470	2.0
169.10150	6.4
170.07222	1.2
170.10919	2.0
171.08060	10.0
171.11681	5.2
173.06003	1.1
173.09616	3.3
173.13240	2.3
175.07570	5.4
175.11221	1.6
178.07761	2.4
179.07155	1.0
179.08574	4.3
180.09309	2.4
181.06450	1.0
181.10051	5.4
182.07298	1.4
182.10861	1.7
183.08099	2.8
183.11682	6.4
184.12262	0.9
185.06084	1.0
185.09625	4.4
185.13275	3.4
187.07544	2.5
187.11203	2.1
189.05444	3.0
189.07030	0.9
189.08989	1.5
191.03371	4.2
191.07109	0.9
191.08606	1.2
192.09309	1.5
193.10126	5.7
194.10922	2.0
195.08096	4.2
195.09775	0.8
195.11729	3.0
196.08838	1.1
197.09604	2.8
197.13295	2.7
199.11224	3.3
201.05363	0.7
201.09091	2.7
203.07004	3.1
203.10690	1.5
204.09380	1.2
205.04965	1.9
205.10187	2.2
206.10904	2.0
207.08134	1.6
207.11652	4.1
208.08853	0.9
208.12361	1.0
209.09607	3.6
209.13161	3.7
210.10338	0.8
211.07600	1.9
211.11201	7.5
211.14838	1.7
213.09055	1.7
213.12743	2.2
214.09865	0.8
214.13498	0.8
215.06871	1.6
215.08852	0.9
215.10678	1.9
216.09308	1.5
217.10216	1.4
217.12207	1.9
218.10892	1.2
219.08276	1.4
219.11722	2.1
221.09674	1.7
221.13145	3.4
222.10596	1.0
223.11206	3.4
223.14822	3.2
224.11897	1.0
225.09122	1.8
225.12776	2.1
227.10745	1.4
229.12267	1.9
231.08240	0.9
231.11833	1.2
232.08826	1.5
233.09608	1.8
233.13345	2.0
234.10336	0.9
235.07527	1.4
235.11214	3.5
235.14864	1.8
237.09058	1.6
237.12718	4.1
237.16417	1.3
239.10559	1.0
239.14355	2.0
241.10132	1.0
241.12297	2.5
243.13858	1.5
247.11308	1.9
249.12671	3.4
251.10648	1.5
251.14368	1.6
251.17804	1.2
253.12250	1.3
255.13843	1.3
259.11188	1.5
259.14941	0.9
260.11954	1.1
261.12772	2.0
265.12134	1.2
267.10678	0.8
267.13757	2.5
267.17416	0.8
269.15552	0.9
272.11963	1.0
273.12790	1.5
277.12399	1.3
277.15778	1.5
279.17557	0.8
287.14520	1.0
289.12286	1.5
289.15540	0.9
291.09979	0.9
291.13687	0.9
293.11713	1.1
295.13345	1.8
295.16940	1.0
297.18466	1.7
299.14667	0.9
301.12225	1.3
303.10101	1.0
303.13693	1.7
305.15411	1.2
307.13525	1.2
317.11697	1.0
327.17523	1.2
330.15674	0.9
335.16498	1.0
345.18600	1.7
349.17786	1.0
355.16742	1.5
362.18607	1.1
363.19437	1.3
373.18018	4.1
375.19562	2.6
383.16287	1.1
391.19156	5.9
393.20651	3.0
401.17557	1.4
419.18753	5.2
437.19595	61.9
438.19843	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	437.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.9
55.01870	3.5
55.05489	5.0
65.03937	5.2
67.05508	36.5
69.07058	5.8
69.80064	7.3
69.80478	11.4
79.05479	9.1
80.53899	2.8
81.03417	18.3
81.07059	8.5
87.12999	2.8
91.05482	17.9
93.07033	15.7
95.01337	41.2
95.04972	100.0
95.08601	6.4
98.21529	2.9
105.03384	10.3
105.06420	3.0
105.07029	23.2
107.08566	7.2
109.06506	6.8
109.43587	2.9
115.05466	4.6
117.00248	3.0
117.06996	7.2
119.04945	2.9
119.08556	11.0
121.06486	8.9
123.04377	3.8
128.06195	9.4
129.06987	8.2
131.04884	4.2
131.08575	10.1
133.06511	8.8
133.10045	4.5
141.06982	7.1
142.07759	5.5
143.08566	10.7
145.06477	5.3
145.10092	5.8
147.11687	5.7
151.07594	3.4
153.07016	7.0
154.07713	3.8
155.08522	11.7
156.09293	5.3
157.06491	3.1
157.10121	10.2
159.08029	7.7
159.11649	5.0
161.05997	12.0
165.06924	6.7
167.08514	8.8
168.09317	5.5
169.10149	23.5
171.03995	4.1
171.08075	6.7
171.11716	6.4
173.09616	3.4
175.07581	6.1
178.07806	6.7
179.08542	7.5
181.10091	10.7
183.08083	4.0
183.11694	17.1
185.09628	6.7
185.13255	7.6
192.09364	6.1
193.10118	10.8
195.08191	4.3
195.11697	9.6
197.09563	6.4
197.13307	4.1
199.11073	3.9
203.06947	3.2
205.04950	4.9
205.10144	9.1
206.10948	5.1
207.11673	14.0
208.12430	4.6
209.09569	5.4
209.13278	6.6
211.11174	10.7
217.10135	4.9
217.12230	3.0
219.08176	5.1
219.11670	9.2
220.08846	3.7
220.12248	5.1
221.09639	7.3
221.13202	6.1
222.10425	4.4
223.11137	4.2
223.14673	4.2
229.10223	5.1
229.12286	10.9
231.11713	6.0
233.09641	7.4
235.11131	8.6
235.14841	6.1
237.12715	10.4
239.10793	4.3
239.14215	3.4
243.13878	5.5
245.09549	4.9
245.13275	4.2
247.11047	5.9
247.14810	5.2
248.11945	6.7
249.12733	3.0
249.16507	3.4
261.12689	7.4
263.10617	4.6
263.14047	4.3
273.12561	5.0
275.14249	8.8
277.15686	4.9
279.13831	4.1
281.15250	4.3
287.10898	3.6
287.14209	7.4
289.12415	5.0
289.15771	6.6
291.13699	3.3
295.17062	5.0
303.13745	4.3
303.17221	4.8
315.13846	7.0
315.17416	4.1
321.14685	4.7
331.13339	7.5
333.14618	3.7
334.15588	3.8
345.18530	4.3
349.14136	3.5
355.16742	5.6
359.16412	3.8
362.18698	10.7
363.19238	11.1
373.17911	11.1
375.19769	4.7
377.13303	4.5
377.17526	6.2
391.19196	15.8
401.17465	7.7
419.18372	13.2
437.19614	55.4
437.34265	5.9
438.19818	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	437.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73799	1.0
53.03956	1.6
55.01869	3.7
55.05521	2.3
65.03942	2.2
66.15955	0.9
67.01870	1.6
67.05514	10.7
69.03421	2.7
69.07069	2.2
70.17529	4.1
72.08200	1.0
74.09752	1.0
79.05508	7.8
81.03423	7.6
81.07037	5.0
83.08664	1.4
91.05477	12.2
93.07042	7.4
95.01335	100.0
95.04973	31.0
95.08610	3.7
97.02907	0.9
103.05503	2.6
105.03417	1.7
105.07037	19.0
107.04956	2.8
107.08633	4.5
109.02861	1.2
109.06530	2.9
109.10156	2.3
111.04474	1.1
115.05463	3.9
116.06276	1.4
117.07008	5.7
119.08576	7.1
121.02983	1.0
121.06509	6.9
121.10143	2.0
123.04469	1.7
123.08118	1.7
128.06230	7.0
129.07001	7.3
130.07709	1.0
131.04965	2.1
131.08571	7.9
133.06491	9.1
133.10127	3.5
135.04413	1.3
135.08105	3.3
135.11752	1.7
137.05975	1.1
137.48595	1.1
141.07021	4.1
142.07776	4.2
143.08554	9.9
144.05702	1.4
145.02852	2.0
145.06511	6.3
145.10164	8.0
147.04443	2.2
147.08069	3.7
147.11729	4.0
149.06032	1.6
151.07515	1.0
153.07022	3.6
154.07745	1.2
155.08580	5.9
156.09375	3.1
157.06512	2.3
157.10120	7.6
158.07216	1.4
158.10861	1.2
159.08070	4.5
159.11723	3.7
161.05984	18.0
161.09608	2.3
161.13243	1.2
163.07565	2.5
165.07008	3.4
166.07793	2.2
167.08528	5.5
168.09352	2.5
169.06384	1.0
169.10120	6.6
171.08064	9.5
171.11700	5.9
173.06042	1.9
173.09656	4.5
173.13188	1.4
175.07518	5.1
178.07788	2.3
179.07227	1.2
179.08514	5.3
180.09357	2.0
181.06439	1.8
181.10164	4.5
182.07347	1.1
182.10999	1.3
183.08121	2.9
183.11736	8.2
185.06075	1.2
185.09644	4.2
185.13307	2.7
187.07523	1.8
187.14888	1.2
189.05508	1.6
189.09093	1.9
191.03429	3.7
191.08533	1.7
192.09254	1.9
193.10162	3.7
194.10974	1.7
195.08075	3.8
195.11649	4.7
196.08896	1.2
197.09656	3.9
197.13367	1.6
199.07555	1.3
199.11157	3.0
201.09113	2.3
201.12772	1.3
203.06946	2.3
203.08794	1.4
203.10645	1.3
204.09291	1.7
205.05011	1.8
205.10191	2.2
206.10916	1.9
207.11693	3.4
209.09642	4.6
209.13278	3.1
210.10321	1.2
211.07523	1.3
211.11177	7.0
211.14810	1.1
213.09198	1.8
213.12737	2.7
215.08824	1.5
215.10689	3.7
217.12213	2.6
219.11783	2.3
220.12465	1.2
221.09698	1.5
221.13289	2.8
223.11211	2.4
223.14871	2.8
225.09256	1.4
225.12773	1.6
227.10631	2.7
227.14455	1.1
229.12289	1.9
231.11810	1.4
231.13930	1.2
233.09663	2.0
233.13179	1.4
235.07491	1.4
235.11098	2.8
235.14926	2.5
237.12807	3.8
239.10672	1.6
239.14392	1.9
241.12247	1.1
247.11287	2.7
247.14845	1.1
249.08835	1.3
249.12816	3.1
249.16455	1.0
251.14508	1.2
251.18028	1.6
253.12210	1.8
255.13971	1.5
259.11331	1.1
259.14731	1.0
261.12891	2.4
261.16125	1.2
263.10907	1.0
263.14426	1.1
265.12384	2.3
267.09958	1.1
267.13791	2.1
269.15302	1.1
275.14484	2.0
277.12170	2.4
285.12979	1.0
287.14468	1.0
289.12372	1.2
293.11429	1.0
295.13513	1.9
295.16898	1.3
297.18390	1.6
305.12021	1.1
305.15521	1.4
307.16965	1.5
315.17245	1.2
317.11838	1.2
329.15317	1.3
345.18625	2.9
349.14484	1.3
351.97873	1.0
355.16965	3.2
357.78641	1.0
362.18790	1.6
373.18021	3.4
391.18945	5.3
393.20755	2.2
401.17355	2.4
409.20001	1.4
419.18454	5.4
437.19595	62.0
437.34229	1.8
438.19873	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	437.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69921	2.3
53.03936	4.5
53.84850	2.5
55.01860	4.6
55.05494	2.2
57.38794	2.2
67.05502	17.2
69.03412	6.7
69.07045	3.8
69.95460	12.7
79.05477	10.2
81.03418	22.8
81.07056	6.5
81.23755	2.3
91.05495	14.7
93.07043	13.9
95.01329	100.0
95.04968	46.3
95.08614	3.4
97.02887	2.6
105.07030	22.6
107.04982	5.1
107.08601	7.5
108.43742	2.5
109.06488	3.5
115.05446	4.4
117.07012	7.8
119.04924	3.1
119.08607	11.7
121.06448	13.2
122.29205	2.5
128.06238	7.1
129.06989	9.0
131.04901	3.0
131.08521	11.8
133.06516	8.1
133.10130	4.7
135.04449	3.5
141.06934	6.1
142.07791	7.2
143.08530	28.2
145.06467	10.7
145.10130	10.8
146.20717	2.3
147.08073	3.8
147.11571	3.5
149.05975	4.5
152.06218	2.3
153.06976	4.6
154.07761	3.8
155.08566	16.6
156.09311	3.4
157.06575	3.9
157.10147	21.7
159.08020	7.2
159.11705	4.0
161.05994	13.7
161.53780	2.8
165.06979	9.7
166.07825	3.2
167.08548	10.2
168.09332	3.1
169.10103	21.0
171.08011	24.4
171.11696	8.2
173.06026	4.4
173.09637	3.1
175.07509	11.7
178.07794	4.6
179.08492	16.5
180.09283	7.2
181.10118	12.5
182.10828	4.3
183.08118	7.2
183.11668	13.9
185.09590	6.9
185.13254	6.6
187.07422	3.0
187.11189	3.6
189.09177	3.6
191.08676	4.2
192.09346	9.2
193.04985	9.4
193.10147	16.6
194.10875	4.5
195.08032	8.6
195.11626	12.4
196.08652	2.5
197.09602	8.5
197.13292	7.8
199.07588	2.8
199.11205	7.5
199.14856	4.2
201.05508	6.2
202.07802	3.3
203.08673	3.1
204.09457	4.1
205.10103	7.4
207.08072	6.0
207.11728	14.5
208.08835	6.1
208.12329	4.4
209.09665	11.7
209.13217	11.2
211.11163	8.2
211.14700	5.4
213.12860	5.9
216.09352	3.1
217.10152	7.2
219.11703	6.0
220.08888	3.7
220.12508	4.7
221.09625	10.0
221.13304	7.2
222.10211	3.8
223.11179	9.9
225.12712	4.2
227.10754	3.9
227.14291	9.8
229.10181	4.3
231.11714	4.9
231.13800	3.4
232.08788	6.6
233.09648	9.7
233.13206	3.2
234.10320	3.2
235.07549	5.3
235.11166	10.7
235.14769	5.5
236.11925	4.3
237.09166	4.1
237.12665	6.4
239.10739	3.0
239.14250	4.2
243.11725	4.8
245.09607	8.8
245.13312	3.5
246.10420	3.6
247.11241	12.7
248.11946	6.1
249.09100	5.2
249.12680	6.1
249.16426	4.0
251.10692	4.3
251.14270	2.8
253.08488	2.9
253.12300	3.1
257.15494	4.8
258.10516	2.9
259.11203	7.4
261.09280	2.6
261.12662	7.0
263.10608	5.6
263.14276	5.3
265.12259	8.8
265.15707	4.4
271.11182	3.6
272.11948	3.0
273.09009	2.8
273.12720	4.2
275.10699	4.1
275.14346	8.6
277.12817	2.4
277.15857	9.7
278.16620	5.1
279.17316	4.1
282.10110	2.9
285.12808	3.7
287.10910	2.6
287.14258	5.4
288.14905	2.7
289.12534	3.0
289.15942	5.2
291.13815	6.0
293.15344	5.1
295.13574	2.9
295.16965	4.1
300.11530	3.5
303.13779	5.3
305.11795	3.4
305.15338	7.8
306.16010	2.9
307.16867	11.0
308.17606	5.8
309.11047	2.6
313.12057	4.7
315.13647	7.5
317.11841	2.9
319.13297	3.4
321.14737	4.6
323.16290	3.9
331.13269	12.7
333.14847	11.8
334.15485	3.5
341.11819	3.1
345.18445	4.5
349.14044	2.8
351.15958	15.4
352.16541	8.9
359.12750	10.3
362.18790	7.5
363.19342	7.8
373.17960	8.4
375.19766	2.9
377.13910	8.9
391.18982	17.9
401.17383	8.9
419.18481	12.7
437.19604	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	437.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
54.17837	2.4
55.01860	9.3
55.05514	13.8
61.17037	2.2
65.03922	9.3
67.05502	61.5
69.03427	8.6
69.07052	11.3
70.01733	4.3
70.02128	5.9
70.45789	2.3
71.04984	4.2
79.05497	26.1
81.03413	28.7
81.07041	24.1
83.04976	10.0
83.08624	8.6
85.02899	5.7
85.06521	3.6
89.03891	3.4
91.05477	31.2
93.07041	29.6
95.00798	2.3
95.01327	60.3
95.04964	90.3
95.05569	4.4
95.08605	21.7
97.02899	5.9
97.06520	7.1
97.10152	5.7
103.05460	8.1
105.07020	35.1
107.04947	8.9
107.08588	18.9
109.02855	3.0
109.06507	9.6
109.10150	28.1
111.08112	5.9
115.05477	7.5
115.21435	2.5
117.06998	12.6
118.19833	2.7
119.04962	3.2
119.08557	32.9
119.49588	2.7
121.02824	6.1
121.06496	16.5
121.10133	16.6
123.04354	2.6
123.08105	6.2
123.11674	5.0
126.75021	2.3
128.06279	8.2
129.06979	12.6
131.04929	5.9
131.08553	19.1
133.06509	15.0
133.10120	19.7
135.04401	2.9
135.08072	6.6
135.11697	8.6
141.07019	7.6
142.07797	11.5
143.08528	19.8
145.02928	2.9
145.06519	12.1
145.10089	22.1
147.04387	4.4
147.08047	6.9
147.11670	15.7
149.06000	4.5
149.09627	2.7
149.13202	3.5
149.71637	2.8
153.06960	5.4
154.07799	4.1
155.08586	25.8
156.09375	12.0
157.06497	5.4
157.10110	23.9
159.08090	9.2
159.11687	13.6
161.05914	19.6
161.09584	6.3
161.13304	4.7
163.07503	3.2
163.11244	4.7
165.06927	12.1
166.07799	6.3
167.08572	11.2
168.09328	9.3
169.10120	54.4
170.10939	14.0
171.08080	10.5
171.11667	31.5
173.05952	3.7
173.09648	5.5
173.11739	4.9
173.13307	7.2
175.03879	2.8
175.07657	7.6
175.11198	3.6
175.14922	3.3
177.05504	3.5
177.09131	4.8
178.07797	7.2
179.08545	19.1
180.09274	6.4
181.10092	19.2
182.10933	9.2
183.08092	3.0
183.11659	44.5
184.12431	7.9
185.09698	6.7
185.13216	17.9
186.05484	4.5
187.11177	6.3
187.14859	6.4
192.09361	10.1
193.10121	21.4
194.10934	8.8
195.08002	4.8
195.11649	25.0
196.08844	4.1
196.12453	6.5
197.09715	5.1
197.13301	21.4
198.10460	3.2
199.11159	6.3
199.14861	5.3
201.12755	5.2
203.06963	3.3
203.08624	6.4
205.04973	17.3
205.10182	10.9
206.08284	4.6
206.10970	7.5
207.08130	5.4
207.11670	25.3
208.08984	3.1
208.12497	8.1
209.09654	9.7
209.13277	20.3
210.14050	6.4
211.11258	10.5
211.14810	10.5
213.09116	3.6
213.12785	9.0
213.16426	5.8
214.05016	11.2
215.08714	5.1
215.10669	5.1
216.09355	4.8
217.10172	9.2
217.19424	3.0
218.07278	3.5
218.10931	4.7
219.08154	4.3
219.11774	9.9
220.12453	8.8
221.09586	6.4
221.13239	22.7
222.13965	3.8
223.11214	5.6
223.14870	10.8
224.11972	3.3
225.12881	5.5
225.16336	18.0
227.10684	5.1
227.17889	2.7
229.10172	6.6
229.12196	41.9
230.10849	5.4
231.08009	4.0
231.11699	9.5
231.13860	5.0
232.12442	3.5
233.09630	9.7
233.13268	9.9
234.14043	4.0
235.07599	8.8
235.11111	13.7
235.14793	16.5
237.12750	9.1
237.16443	5.2
239.10701	4.4
239.17960	3.7
241.10141	3.0
241.12254	3.7
243.11662	6.5
243.13913	6.9
244.12576	8.1
245.09665	4.1
245.13264	7.3
246.10403	6.8
247.11293	8.5
247.14925	6.5
248.12080	4.1
249.12802	5.7
249.16508	7.0
251.10704	3.4
251.14365	6.1
253.08601	5.6
253.12242	5.1
253.15923	13.5
257.09570	3.1
257.13266	5.5
258.10535	4.9
259.11264	10.7
259.14886	8.3
260.11951	4.5
261.12695	20.0
262.13657	4.1
263.10767	5.7
263.14374	8.8
266.12961	2.8
267.13925	7.9
267.17419	6.7
269.15506	5.4
270.14191	3.9
271.11307	5.3
271.14932	3.4
272.11908	12.8
273.12637	12.6
274.13367	3.3
275.10663	4.2
275.14325	6.0
277.12366	3.9
277.15829	3.3
281.15466	8.7
284.17685	4.6
285.12701	4.9
287.14246	14.9
288.14890	4.1
289.12277	4.1
289.15918	8.7
291.13846	4.1
295.13492	4.7
295.16965	7.4
297.18521	4.7
300.11542	7.0
303.13782	7.4
303.17517	13.3
305.12018	3.3
305.15442	6.6
307.13382	4.0
313.12302	3.7
313.18011	12.0
315.14169	13.4
315.17444	5.3
319.12982	3.4
321.14963	8.8
323.16513	3.9
327.17667	3.3
331.13327	17.3
331.17010	8.5
333.14975	7.0
345.18530	5.4
347.16510	7.6
349.14407	6.2
349.18192	4.0
355.16898	3.1
359.16626	7.7
361.17923	3.7
362.18814	13.1
363.19363	19.1
365.21262	4.2
373.18039	16.3
375.19666	7.4
377.13596	5.6
377.17569	29.1
391.18958	32.8
393.20718	3.9
401.17599	7.7
419.18692	19.1
419.33170	6.4
437.19666	100.0
437.25299	12.1
437.34320	31.0
438.20053	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	436.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
54.91579	0.4
55.01865	0.5
55.05273	0.7
55.05516	8.5
57.07079	0.5
61.02914	0.4
62.16329	0.5
67.05508	2.2
69.03427	1.1
69.07068	1.3
70.06592	1.3
71.05010	0.8
71.19497	1.1
72.08157	2.3
77.03934	1.4
79.05479	1.1
81.03417	1.6
81.07051	2.3
83.04986	22.7
84.08155	4.2
85.02912	1.7
86.09695	0.6
91.05476	2.2
93.07047	0.7
94.07404	0.5
95.04958	5.1
95.08617	1.0
97.06522	1.2
98.06049	0.6
104.04961	1.0
105.03395	93.7
105.07027	0.9
106.03732	1.7
107.04996	0.6
107.08602	1.2
109.02882	1.0
109.10156	2.3
110.09671	0.6
112.07610	1.2
112.11261	3.6
117.07076	0.5
118.06580	0.6
119.08578	1.3
121.06464	0.8
121.10161	1.1
123.08003	0.6
127.03969	0.6
127.96558	0.5
129.07040	0.7
129.10294	0.6
131.08524	0.9
133.10085	1.0
133.83798	0.4
134.06013	5.2
135.04393	0.6
139.12305	0.5
140.10745	3.1
143.08598	0.5
146.10378	0.6
147.04407	0.6
147.08075	0.6
153.01871	0.7
153.09198	0.7
154.12270	12.2
157.10161	0.6
160.07582	0.8
161.09471	1.0
161.10750	13.2
162.09146	100.0
163.09503	2.6
163.14926	0.4
167.07161	1.1
176.10681	1.5
181.04924	0.9
188.10735	2.1
192.06554	0.9
200.10733	1.5
207.06578	0.6
211.18013	2.4
218.11783	1.2
221.04514	0.8
233.16490	45.1
234.16956	1.2
247.09326	0.5
256.16870	0.6
274.07419	0.9
274.15369	0.7
274.18054	2.7
275.17618	0.7
314.22260	35.1
315.20624	2.3
336.20654	1.6
337.19077	2.3
338.19250	0.7
390.23926	0.5
418.15659	0.9
436.26208	7.7
436.32379	1.1
437.26263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01863	1.0
55.05267	0.8
55.05512	9.7
58.06601	0.5
62.01283	0.4
66.89044	0.5
67.05505	4.7
69.03429	0.7
69.07066	1.3
70.06626	0.5
71.52657	0.7
72.08138	1.2
77.03916	0.8
79.05502	1.9
81.03413	1.4
81.07053	2.7
83.04982	47.2
83.08617	0.9
84.08138	2.4
85.02908	0.8
91.05482	2.5
93.07057	2.8
95.04965	2.0
95.08602	2.1
97.06521	0.9
103.05466	0.7
105.03391	85.9
105.07023	1.7
106.03742	1.7
106.07390	0.5
107.04944	1.1
107.08602	2.1
108.08920	0.5
109.02850	0.9
109.06501	0.8
109.10175	3.4
112.11282	2.7
116.90298	0.5
117.07005	1.3
119.08615	1.5
121.06517	1.2
121.10135	0.7
131.08542	1.2
133.10086	1.5
134.06020	6.6
135.08012	0.6
135.11723	0.5
143.08546	0.8
144.10201	3.5
145.10136	1.7
147.11707	0.7
148.04776	0.9
149.09621	0.7
149.13255	0.6
153.01802	0.7
155.08534	0.6
155.11813	0.7
159.11638	0.7
161.05888	0.7
161.09598	0.9
161.10742	5.6
162.09138	100.0
163.09451	2.8
167.06999	1.1
171.08119	0.6
171.11729	0.8
175.03882	0.7
175.12401	2.7
176.10707	8.6
181.04996	2.0
182.07326	0.6
193.04985	0.6
230.04597	0.6
233.16481	22.7
234.08487	1.1
234.16931	0.8
244.06108	1.5
272.05533	1.4
273.06265	7.9
274.07175	1.7
274.15363	0.7
314.22192	3.0
315.20660	1.4
317.08929	0.7
336.20700	28.4
337.20911	1.6
354.21744	74.7
355.22125	4.9
418.15997	1.0
418.31808	0.6
419.32822	0.7
436.10355	2.2
436.18048	0.7
436.26044	3.2
436.32764	2.0
437.25461	2.3
437.34299	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
53.03942	2.2
55.01868	0.6
55.05512	19.1
57.07080	0.7
66.73160	0.5
67.05502	3.2
69.03419	0.9
69.07082	1.6
69.72912	3.3
70.06579	1.3
71.04977	0.8
72.08144	1.9
77.03916	0.6
79.05497	2.1
81.03421	1.5
81.07067	2.5
82.07388	0.6
83.04983	23.5
83.08649	0.7
84.08148	3.1
85.02884	1.1
85.23206	0.5
91.05468	2.6
93.07053	2.7
95.01357	0.6
95.04949	3.5
95.08611	2.7
97.06534	1.3
98.21447	0.9
104.05029	0.7
105.03390	100.0
105.07013	3.0
106.03716	2.4
107.04988	0.9
107.08604	2.4
108.08953	0.9
109.02858	2.2
109.06521	0.6
109.10130	2.7
110.09705	0.6
110.10469	1.0
111.08112	0.6
112.11250	3.4
117.07019	1.0
119.04995	0.7
119.08585	2.4
121.02871	1.0
121.06540	0.9
121.10146	1.6
122.06017	0.5
123.04446	0.5
123.11694	1.1
127.03893	0.7
129.06998	0.7
131.08537	1.3
133.10123	1.9
134.06015	6.4
134.10457	0.7
135.08058	0.9
135.11714	0.8
136.07591	0.5
139.12270	0.8
140.10684	1.1
143.08565	1.4
145.06482	0.8
145.10085	1.4
147.04492	0.6
147.11723	1.6
149.09665	0.8
154.12244	0.9
155.08534	0.7
157.10143	1.0
159.11720	0.9
161.05864	0.6
161.09610	0.7
161.10736	18.4
162.09137	87.4
163.09485	2.6
163.11023	0.8
167.07106	0.8
167.08505	0.6
169.10117	0.9
170.10536	0.6
171.07941	0.6
171.11754	1.5
173.13228	1.0
175.12332	6.1
176.10706	7.1
177.05501	0.8
181.05016	1.0
185.09666	0.9
193.10124	0.5
195.11655	0.6
197.09540	0.6
197.13158	0.8
200.15205	1.1
211.17923	0.6
213.09016	0.9
224.15134	0.7
231.14929	0.9
233.08133	0.9
233.16478	52.3
234.08394	1.0
234.16817	1.8
237.12787	0.6
249.13097	0.6
272.20486	0.5
274.07443	1.6
275.17096	0.7
301.02261	0.6
314.22250	4.9
315.20700	1.9
336.20691	63.1
337.21115	3.2
354.21658	3.8
418.16086	0.8
418.31213	0.8
436.19092	1.5
436.25873	3.2
436.32785	6.8
437.19302	1.3
437.25330	1.2
437.34128	1.3
451.46475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80001	2.0
55.01886	2.4
55.05515	4.5
57.03440	2.1
59.04996	3.2
60.86594	2.1
61.42200	2.0
67.05499	8.1
68.83108	2.1
69.03426	5.6
69.07058	6.6
70.06586	11.1
71.04990	14.9
72.08134	2.5
73.06533	3.6
73.27542	2.0
79.05489	12.0
81.03419	15.3
81.07056	25.1
83.31426	2.2
84.04494	3.6
84.08129	3.1
85.02929	10.8
91.05488	5.3
93.07044	18.3
95.04946	4.9
95.08604	9.9
96.08121	7.9
97.02911	10.8
97.06554	6.5
99.04498	2.9
102.93476	2.3
105.01907	2.6
105.03387	4.2
105.07039	6.6
107.04976	3.2
107.08575	16.8
108.04555	2.4
109.02871	11.8
109.06563	2.4
109.10151	8.3
113.74951	2.4
119.08571	6.3
120.08092	2.7
121.02872	3.2
121.10162	3.4
124.07608	8.4
127.03922	15.6
130.97749	2.5
131.08565	2.9
133.02870	4.1
133.06488	3.3
135.08017	2.3
135.11717	24.8
138.88110	2.5
145.05009	3.6
145.06490	2.3
147.04477	2.9
147.07997	2.5
148.04677	2.4
151.03928	9.1
151.11255	3.1
152.04286	2.1
152.07066	30.3
153.01834	6.2
153.12741	100.0
154.13077	2.5
159.08049	2.9
167.07086	3.7
168.07399	2.8
170.08121	44.2
181.05005	3.6
189.05464	58.4
189.12772	2.8
196.03264	2.4
205.06767	2.5
207.13914	3.3
229.08549	7.2
231.06738	2.6
234.08350	2.6
256.14209	3.8
273.07538	2.5
273.14755	4.0
274.07477	9.3
274.15189	8.5
291.08740	3.3
351.10727	34.3
378.77158	2.4
418.15414	5.0
437.14215	17.0
446.02921	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	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.9
55.01872	9.7
55.05512	10.0
57.03423	7.7
57.07068	4.3
61.02915	4.5
65.03957	4.5
67.05515	20.5
69.03432	33.9
69.07074	15.4
70.06592	13.3
70.14864	6.2
70.15262	6.6
71.04987	9.1
72.08142	4.1
73.02925	5.3
75.16077	3.0
75.56846	2.9
79.05493	18.1
81.03426	36.9
81.07054	61.6
84.04491	5.6
84.08157	7.3
85.02911	83.0
85.06546	6.1
87.00839	27.2
88.07632	16.0
91.05476	23.5
91.52109	3.0
93.06485	5.6
93.07048	83.8
95.04961	11.2
95.08596	31.4
97.02889	33.1
97.06530	9.1
99.04453	13.0
105.01894	31.0
105.03350	4.2
105.07044	16.9
107.04981	10.4
107.08588	48.8
109.02886	46.1
109.06525	9.7
109.10152	25.3
119.04924	6.3
119.08604	9.7
121.06515	6.4
121.10154	12.2
123.04479	3.9
123.11745	4.4
127.03918	52.2
129.06990	3.3
131.08554	6.2
133.02872	6.0
133.10150	7.1
135.04375	3.7
135.08017	3.9
135.11693	100.0
137.09676	3.4
137.13249	27.9
145.04944	19.0
145.06580	3.2
145.10162	5.7
147.04446	8.5
147.08075	4.1
147.11729	4.9
149.05991	3.9
150.06326	3.3
151.03818	7.0
153.01857	4.0
153.12787	8.9
157.10066	4.2
159.02914	14.5
160.16338	3.4
161.09581	3.3
166.00864	3.0
167.07031	10.8
168.07379	5.4
171.13919	3.3
175.03888	4.8
176.04344	4.2
180.65244	3.0
181.05008	8.2
181.12268	4.2
182.05350	5.9
189.09151	4.7
201.09090	4.6
207.06586	5.8
210.08516	4.6
229.08670	4.8
231.05174	13.4
233.08099	7.6
234.08513	7.6
247.09676	5.0
256.14154	5.0
259.04797	8.0
273.07593	4.4
273.15115	4.9
274.07126	83.8
274.15094	9.2
278.01306	4.0
418.15927	8.0
436.12640	11.1
436.32379	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	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01862	3.0
55.05510	1.8
57.03432	2.2
60.64165	0.9
61.02927	1.5
67.05487	3.2
68.99792	1.0
69.03426	9.7
69.07055	2.5
69.30540	2.5
69.30963	6.5
70.06575	2.6
71.04977	1.9
71.40613	0.8
73.02905	2.7
79.05487	5.8
81.03414	10.0
81.07037	4.7
83.04987	0.9
84.04482	1.3
84.08110	1.2
85.02898	20.1
85.06519	1.9
87.00824	7.3
88.14535	0.9
91.03995	0.9
91.05472	3.6
93.07040	9.7
95.04944	1.6
95.08590	4.1
97.02885	11.6
97.06519	2.8
99.04445	4.5
101.94292	0.8
105.01867	7.3
105.03337	1.4
105.07008	3.3
107.04976	1.6
107.08585	7.1
109.02872	11.9
109.06519	0.9
109.10149	2.6
115.03911	1.5
117.01851	1.2
117.07008	2.0
119.08554	2.0
121.06466	1.4
121.10119	1.4
127.03921	13.3
131.08540	1.5
133.02863	1.7
133.06433	1.4
133.10100	0.9
135.04376	2.0
135.11685	11.0
143.08524	1.0
144.05646	0.9
145.04947	9.1
145.10136	1.4
147.04422	1.7
147.11546	1.2
151.03850	3.0
153.01825	1.5
159.02946	4.2
159.11725	1.3
167.07025	1.6
168.07375	1.2
168.92258	0.8
181.04874	2.3
182.05330	1.6
200.07098	1.4
203.05786	1.0
207.06564	1.8
229.08611	1.3
231.05223	9.9
233.08051	1.6
234.08423	1.4
256.06070	1.3
259.04724	4.8
273.14948	1.1
274.07095	100.0
274.15204	3.0
275.07492	7.1
418.15689	1.6
436.12286	19.9
436.17725	1.5
437.12543	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	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92947	9.8
63.59575	10.6
65.03913	10.6
69.03426	28.9
70.06584	27.6
70.85519	18.2
70.85861	24.6
75.36509	10.0
79.05524	12.5
81.03407	24.7
81.07057	15.2
81.49500	11.4
82.35464	11.4
85.02916	83.4
87.00832	29.0
91.05482	25.7
93.07046	84.1
95.08614	15.7
97.02887	27.2
105.01860	27.9
107.08603	100.0
109.02876	39.2
117.41146	11.5
127.03951	63.2
133.02866	13.9
135.11707	69.0
145.04985	29.0
159.02870	23.9
222.34512	9.6
231.05042	17.0
271.06027	17.4
272.06390	31.4
273.06549	23.3
274.07059	40.6
288.64560	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	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13470	2.9
53.03939	10.6
55.01872	5.3
55.05499	7.0
57.03447	4.6
67.05493	9.9
69.03426	27.6
69.07063	8.6
70.06595	7.0
70.65520	4.4
70.65854	6.8
71.04972	6.1
73.02930	4.4
79.05489	15.2
81.03419	35.0
81.07075	19.7
85.02902	69.7
85.46098	3.0
86.09705	6.0
87.00830	34.1
91.05478	20.8
93.06480	6.3
93.07045	87.4
95.04977	11.0
95.08603	31.9
97.02883	29.9
97.06531	4.6
99.04461	13.6
105.01862	40.4
105.07032	12.8
107.04944	4.0
107.08592	100.0
109.02874	39.9
109.06509	7.7
109.10164	4.2
115.03909	4.6
117.01867	3.7
117.07015	4.3
119.08607	9.5
121.10152	6.3
123.04395	4.1
127.03919	48.0
128.77580	3.2
135.11693	61.2
145.04935	25.2
145.10149	3.5
151.03926	3.1
153.12740	7.2
159.02878	7.0
163.11227	2.9
188.07130	3.4
213.03864	4.3
231.05002	13.2
259.04724	22.5
261.15018	3.2
266.93015	2.9
274.07086	93.1
274.10162	3.1
303.50458	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	436.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.4
55.01871	11.4
57.03433	5.1
60.04521	1.5
61.02935	7.7
64.28754	1.3
65.03949	2.1
68.99801	6.7
69.03433	39.7
69.67844	9.9
70.06588	4.0
71.04990	6.6
73.02934	7.0
79.05490	1.5
81.02930	1.9
81.03417	34.5
82.08865	1.2
83.01366	1.8
83.04983	3.1
84.04532	1.5
84.08128	2.1
84.26643	1.6
85.02906	100.0
87.00829	40.6
91.03970	3.2
93.03441	2.2
95.04963	3.3
97.02888	33.1
99.04446	16.8
100.55078	1.3
103.03955	3.6
105.01871	27.8
107.04943	10.0
108.04498	7.9
109.02882	33.7
111.04443	12.9
117.01868	6.0
121.02861	3.5
121.03866	1.3
124.07589	2.8
125.06015	2.4
126.05519	5.2
127.02971	3.0
127.03917	62.1
128.07111	3.1
129.01851	7.1
135.04384	2.4
139.03899	48.9
139.43848	1.7
145.03918	2.6
145.04971	30.7
147.02911	4.7
154.05009	5.9
159.02902	22.7
163.03893	15.8
169.05014	1.6
171.06537	65.3
177.04039	1.9
177.05492	2.9
181.04959	7.9
187.17503	1.4
189.03976	4.8
195.06540	26.7
204.52881	1.5
205.04953	2.5
207.06534	2.1
213.04025	3.2
213.07582	23.2
222.05225	2.1
230.06599	3.8
231.05028	11.5
233.08081	3.2
237.07526	16.0
248.07681	5.1
261.07690	8.7
279.08655	16.0
336.16779	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83315	1.8
53.03947	9.5
55.01863	11.0
55.05515	2.3
57.03426	6.7
58.34544	1.9
60.04506	3.3
61.02920	7.5
62.60863	1.9
65.03938	2.9
68.81317	1.6
68.99779	6.3
69.03429	30.5
70.06600	12.1
71.04988	4.7
71.21014	3.3
71.21342	2.3
72.08160	3.2
73.02905	8.3
79.05479	2.1
81.03419	29.6
82.03152	1.8
83.04977	1.7
84.04521	3.4
84.08139	4.3
85.02906	100.0
87.00833	31.1
91.03963	2.0
91.05502	2.2
95.04955	3.4
95.06094	1.8
97.02894	36.2
99.04459	15.7
99.85939	1.9
103.03954	3.5
103.61459	1.6
105.01866	25.2
107.04936	8.4
108.04465	10.0
109.02881	27.1
111.04420	10.8
115.03910	2.2
117.01855	6.8
120.08097	5.5
121.02885	3.7
124.03985	2.0
124.07626	4.3
125.05943	2.2
126.05531	8.2
127.03916	64.3
128.07088	4.3
129.01851	5.9
129.10275	1.9
135.04477	2.4
139.03897	39.6
144.06522	2.0
145.04944	29.8
146.05998	2.5
147.02908	5.3
147.04333	3.4
153.76366	1.7
154.04990	7.0
157.07626	3.8
159.02908	20.2
159.04163	2.7
163.03873	12.0
169.04886	2.2
171.06526	64.6
177.03961	2.3
177.05441	2.8
181.04942	6.9
189.03955	5.7
189.05487	2.2
195.06508	27.1
207.06543	4.0
213.04044	3.8
213.07550	24.0
222.05292	2.4
231.04956	12.8
233.08081	2.1
237.07593	16.6
248.07721	6.2
256.10715	4.4
261.07596	10.5
279.08707	15.4
399.14545	2.0
436.22403	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	436.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
60.85462	0.1
69.03394	0.2
71.04951	0.2
71.44003	0.2
81.03409	0.2
81.07040	0.2
85.02875	0.3
91.05444	0.2
93.07051	0.2
97.02889	0.1
100.71844	0.1
105.01847	0.1
105.07030	0.1
107.08585	0.1
109.10146	0.1
127.03923	0.2
131.27675	0.1
141.84448	0.1
145.06372	0.1
151.03885	0.3
152.04184	0.1
153.12703	0.2
172.81808	0.1
176.07050	0.1
181.04929	0.1
186.05539	0.1
200.07054	0.2
203.05748	1.2
206.60463	0.1
210.14963	0.1
214.05013	0.5
215.05655	0.1
218.08141	0.2
221.01215	0.1
226.05005	0.1
228.06587	0.9
230.04448	0.3
231.05258	9.1
232.05765	0.4
242.04459	0.5
246.07596	0.3
256.06012	0.8
259.04758	4.2
260.05365	0.2
274.07086	100.0
275.04346	0.2
275.07410	3.0
385.58679	0.1
436.12381	3.2
437.12592	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.05499	0.7
57.03424	0.4
59.04983	0.4
61.11781	0.3
65.03931	0.6
67.05495	1.0
68.99789	0.3
69.03452	2.0
69.03754	0.4
69.07090	0.6
69.51346	2.0
70.06593	5.1
71.04991	0.7
71.06893	0.3
72.08163	2.2
79.05484	0.8
81.03066	0.3
81.03426	3.0
81.07043	0.7
83.04967	0.9
84.04473	0.5
84.08138	1.0
85.01125	1.0
85.02905	3.1
86.09705	1.0
87.00825	0.5
87.04446	0.3
91.05455	1.6
93.07044	2.8
95.04960	1.2
95.08604	0.8
97.02297	0.6
97.02894	10.1
97.06528	0.6
99.04426	0.9
99.08112	0.4
103.02171	0.3
105.01834	0.6
105.03351	0.4
105.07039	0.8
107.08588	4.7
109.02866	2.3
109.10175	0.6
110.07185	0.4
110.82069	0.3
112.02174	1.9
112.07614	0.5
119.04948	0.5
119.08521	0.5
120.08113	1.5
121.06532	2.1
121.08395	0.4
123.11764	0.4
124.03957	0.4
124.07550	0.4
125.06043	0.4
127.03928	4.2
127.11176	0.4
129.10223	0.5
130.05045	0.4
133.10120	0.4
135.11691	16.5
136.03961	1.8
136.07524	0.5
140.01605	1.7
145.04942	0.5
147.04442	2.4
148.04758	1.7
151.03882	0.5
153.01820	4.2
153.09085	1.0
153.12691	0.5
154.02162	1.7
154.04955	1.5
157.01938	0.4
158.02739	1.0
167.06998	0.4
169.12193	0.3
170.02701	7.4
171.10136	0.9
175.09070	0.3
183.06616	0.3
183.41791	0.3
188.03766	100.0
189.04048	2.6
190.64359	0.3
196.03313	0.4
230.04825	0.8
231.05038	0.5
234.05550	0.3
239.12889	0.4
252.06895	0.4
259.04947	0.5
273.07620	3.1
274.07846	7.5
274.10922	0.6
296.05789	0.4
298.09235	0.7
314.06909	26.6
315.07117	1.5
332.07993	1.8
340.08081	0.3
436.12161	0.5
450.49387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96077	0.7
53.03944	1.2
54.34421	0.8
55.01870	1.7
55.05500	1.8
65.03954	0.9
67.05500	4.0
69.03431	9.9
69.07056	2.6
69.19633	6.0
69.20055	3.7
71.04990	2.2
77.03904	4.1
79.05503	5.1
81.03417	7.9
81.07055	5.7
83.04958	0.9
85.02905	7.5
85.06511	1.6
86.38686	0.8
91.05474	6.0
91.68571	0.8
93.07050	2.8
93.26614	0.8
95.04965	3.0
95.08585	4.2
97.02905	3.5
97.06521	3.5
99.04457	2.1
105.01801	0.9
105.03397	2.5
105.07022	3.7
107.04955	7.5
107.08594	4.3
107.57127	1.0
109.02864	4.8
109.06532	1.8
109.10153	5.1
111.08105	1.0
117.07001	1.1
119.04929	1.5
119.08575	3.4
119.68722	1.1
121.06519	4.2
121.10108	4.1
121.25136	0.8
123.04430	1.6
123.08061	1.1
123.11681	2.5
125.09618	1.3
127.03898	3.5
129.07040	1.2
131.08578	5.2
133.02852	39.8
133.06487	3.9
133.10133	2.5
134.03732	1.1
135.04414	19.4
135.11671	1.1
137.05986	1.7
139.11174	2.5
141.06996	2.1
143.08580	1.0
144.05670	1.8
145.06445	3.5
145.10072	2.0
147.04422	8.6
147.08044	3.3
147.11664	0.9
149.05998	5.5
149.09644	1.0
151.03900	15.9
153.01831	5.3
157.06552	1.4
157.10081	2.2
159.04504	0.9
159.08020	6.5
161.05986	3.3
161.09665	5.1
163.07503	1.0
167.07082	4.7
171.08049	3.8
173.05881	1.9
173.09534	1.7
175.03944	1.2
175.07509	4.8
177.05507	1.7
177.09102	11.4
181.04956	4.8
183.11702	1.0
185.09624	3.9
187.07529	3.8
191.07016	1.4
194.82468	1.0
199.07611	2.0
201.09070	1.8
203.10655	12.9
211.14810	1.0
213.09201	1.3
213.12770	2.2
217.08661	1.1
221.07947	1.0
227.14346	3.2
230.07663	2.7
233.08105	2.9
237.12741	1.2
245.15349	1.4
255.13788	14.9
256.13998	0.9
257.06824	1.1
258.07074	1.2
263.09018	1.0
272.09149	14.1
273.09872	29.2
273.14835	100.0
274.07245	1.8
274.09921	1.5
274.15131	5.0
291.15891	20.9
295.08246	1.0
399.18152	1.1
404.11346	0.9
417.19611	4.8
435.15045	1.5
435.20111	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	436.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.1
55.24565	0.1
61.02903	0.1
64.88412	0.1
65.42664	0.1
69.03400	0.4
69.88649	0.1
70.06565	0.2
71.04928	0.1
72.08192	0.1
73.02895	0.1
81.03382	0.2
85.02898	0.9
87.04403	0.1
91.05406	0.1
97.02859	0.3
109.10075	0.1
151.03870	0.2
160.99901	0.1
181.78392	0.1
186.05484	0.2
186.83992	0.1
188.16168	0.1
200.07014	0.3
203.05733	1.2
213.04260	0.1
214.05023	0.6
217.03648	0.2
218.04465	0.2
218.08067	0.2
228.06540	0.9
230.04628	0.3
231.05254	10.2
232.05846	0.4
239.13957	0.1
242.04550	0.6
242.06541	0.1
246.07666	0.4
256.06049	0.9
259.04758	4.6
260.05307	0.2
274.07077	100.0
275.07428	2.2
283.37183	0.1
436.12381	19.6
437.12802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01858	2.4
55.05505	1.4
57.03426	3.2
61.02929	3.7
67.05511	8.5
69.03088	1.1
69.03428	15.0
69.07057	2.9
70.06577	2.0
70.47890	2.1
71.04992	3.1
72.08140	0.9
73.02903	2.9
77.03926	2.1
79.05487	7.4
81.03408	9.2
81.06591	1.0
81.07053	13.6
83.08617	0.7
84.04501	1.2
84.08127	0.7
85.02907	29.1
86.09693	2.7
87.04481	1.4
91.03922	1.5
91.05483	5.0
93.07045	4.9
95.04971	6.7
95.08599	7.8
97.02895	11.8
97.06540	1.9
97.10143	0.8
99.04470	3.8
103.03947	0.9
103.05472	1.4
105.03398	2.4
105.07005	4.4
107.04962	3.8
107.08585	3.7
109.02879	5.8
109.06517	1.4
109.10161	24.4
110.10495	1.1
111.04454	0.7
111.08035	0.8
115.05444	1.0
115.87509	0.7
117.07012	2.5
119.04951	1.7
119.08572	2.2
120.08028	0.8
121.02855	0.7
121.06501	2.5
121.10143	6.1
123.04426	3.2
123.11707	22.1
124.12014	0.9
125.09615	1.0
127.03923	6.5
128.06235	0.8
129.06958	0.9
131.04922	1.8
131.08525	1.7
133.02827	8.0
133.06500	3.7
133.10194	1.3
135.04439	4.1
135.08029	1.6
135.11700	3.3
136.07594	1.1
137.06001	1.3
143.08603	0.8
144.05647	1.0
145.04984	3.7
145.06488	2.7
145.10138	1.3
147.04395	2.8
147.08037	2.8
149.05934	2.2
151.03903	100.0
152.04259	2.8
153.01855	2.8
153.12709	1.5
157.06464	1.4
159.08035	1.8
159.11679	1.1
161.05968	1.8
161.09589	2.5
163.03848	0.9
165.05518	4.5
165.06711	0.8
167.07051	4.8
171.08022	2.0
171.11775	1.1
173.05949	1.0
173.09624	2.0
175.03909	2.1
175.07584	2.5
177.05444	1.6
177.09125	1.3
181.04987	3.9
181.06364	0.7
185.09601	1.8
187.07523	1.5
189.05487	3.2
189.09053	1.0
191.07005	1.9
193.08621	1.0
199.07579	2.1
199.14737	0.8
201.05403	0.8
201.09076	1.2
203.07054	1.9
203.10693	2.3
205.08621	2.1
209.08028	1.0
211.07547	0.7
213.09053	1.1
213.12732	1.5
217.08583	10.5
221.08109	1.0
227.14346	1.9
229.08604	1.5
231.10170	2.1
233.08144	3.2
255.11359	0.7
255.13806	12.0
271.34717	0.8
273.07217	2.3
273.14859	33.0
273.17831	1.8
274.07053	1.0
274.15155	2.6
291.15894	2.7
343.12827	1.4
363.15750	1.0
371.12341	1.7
381.17062	1.3
399.17838	1.4
417.14835	1.7
417.19763	1.7
435.14771	1.2
435.20370	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	435.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.01870	3.0
55.05505	4.9
57.03435	2.4
64.09781	1.1
65.03940	2.2
67.05506	9.4
69.03434	13.6
69.07069	6.0
70.06583	2.5
70.59145	2.3
70.59513	2.6
71.04982	3.0
72.57317	1.2
72.61089	1.2
74.88642	1.2
77.03914	6.6
78.04723	1.2
79.05489	10.8
81.02983	2.3
81.03421	19.5
81.07056	14.5
83.04974	3.4
83.08617	2.0
85.02914	9.3
85.06493	1.5
85.83999	1.3
89.80131	1.1
91.05482	12.7
93.07051	8.2
94.48812	1.1
95.04970	10.0
95.08607	10.9
97.02911	6.4
97.06543	7.3
99.04459	6.1
103.05432	3.8
105.03429	7.0
105.04508	1.8
105.07032	12.0
107.04951	15.2
107.08600	7.3
109.02888	5.9
109.06516	5.6
109.10165	11.7
117.07017	4.2
119.08602	6.8
121.06489	10.1
121.10143	9.7
123.04440	5.4
123.08072	2.0
123.11697	4.5
124.05284	1.3
125.06007	1.6
127.03879	3.1
128.06256	2.5
129.07011	3.0
131.04950	2.6
131.08571	6.1
133.02853	51.8
133.06462	7.4
133.10138	4.6
134.03621	1.4
135.04413	26.6
135.08052	5.8
135.11682	2.3
137.05983	2.6
141.05464	1.7
141.06952	2.0
143.08586	5.9
144.05751	2.7
145.06477	8.2
145.10162	3.7
147.04410	12.0
147.08046	7.0
147.11732	2.8
149.05994	8.0
149.09654	3.1
151.03906	48.1
152.04216	1.7
153.01819	5.6
155.08527	3.4
157.06512	5.5
157.10121	3.3
159.04388	2.1
159.08022	8.4
159.11670	3.8
161.06032	7.6
161.09645	7.0
161.13341	1.6
163.07553	3.0
165.05489	3.1
165.06934	1.6
167.07056	12.9
167.08478	1.8
169.06378	1.5
169.72644	1.4
171.06619	2.5
171.08025	15.1
171.11700	1.5
173.05980	5.6
173.09634	3.4
173.13281	2.0
175.03897	3.0
175.07591	6.9
175.11320	2.0
177.05478	4.4
177.09122	4.5
179.07025	1.9
181.04938	14.6
181.06395	2.0
183.08093	3.1
183.11697	1.9
184.08913	1.6
185.06017	2.9
185.09622	6.9
185.13274	2.0
187.07533	4.7
187.11220	1.9
189.05447	4.8
189.09183	3.5
191.03357	1.9
191.07018	4.5
197.09691	1.7
199.07567	5.5
199.11220	2.1
201.09152	4.0
203.06976	1.6
203.10649	6.5
205.08563	1.7
209.08075	2.5
211.11226	3.8
212.12061	1.9
213.09158	4.5
213.12735	14.3
215.14240	1.6
217.08577	3.3
218.05884	1.6
227.14325	10.1
228.07777	1.5
229.08626	3.6
233.07982	9.7
237.12788	1.9
251.14499	1.4
255.13808	100.0
256.14117	4.4
263.09097	3.1
271.13327	2.5
273.07727	7.0
273.14850	54.0
283.13193	1.5
289.14301	1.6
291.15906	8.9
313.14218	3.5
315.15778	1.4
331.15256	2.1
351.11154	1.4
351.15811	3.4
363.15875	3.1
369.16873	2.0
381.17169	6.4
399.18164	9.8
417.19763	14.0
417.31094	1.5
435.11041	3.0
435.20096	9.7
435.32993	6.1
436.11639	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01859	2.2
55.05508	33.8
56.05029	0.9
57.03429	1.6
57.07066	2.4
59.04995	0.8
61.02920	1.1
61.74331	0.5
65.03938	1.0
67.05501	5.7
68.99771	0.9
69.03430	6.2
69.07058	3.3
70.06587	5.7
70.68089	1.3
71.01356	1.5
71.04991	1.5
72.08137	1.7
73.02914	1.0
79.05489	4.8
81.03417	6.2
81.07050	7.5
82.06580	14.6
83.01337	0.7
83.04989	4.5
83.08620	32.7
84.04514	2.4
84.08153	3.5
85.02902	11.0
85.06542	3.5
86.09715	2.7
87.00837	1.7
91.05477	4.6
93.03404	1.7
93.07038	4.2
94.06537	0.7
95.01365	0.6
95.04973	3.5
95.08596	3.7
96.08126	1.4
97.02884	5.3
97.06551	2.0
98.09124	0.6
98.09671	3.9
99.04431	1.8
99.08097	0.6
100.07625	10.1
100.11256	95.2
103.05408	0.9
105.01839	1.4
105.03383	1.6
105.07043	4.2
105.59705	0.6
107.04955	3.0
107.08600	2.6
108.08094	0.9
109.02225	0.7
109.02887	5.5
109.06520	1.5
109.10154	4.0
110.06048	8.3
111.04440	15.0
111.08104	1.2
112.07594	4.5
115.05452	0.9
116.06237	0.7
116.51545	0.5
117.07011	1.1
117.13889	1.7
119.04945	0.9
119.08583	1.1
120.08083	1.8
121.02863	1.3
121.06504	1.6
121.10123	1.6
122.06036	0.7
123.04435	1.5
123.08083	2.5
123.11723	3.0
124.05200	0.6
124.07589	0.6
125.05985	1.3
125.09636	1.2
126.09161	3.8
127.03918	4.8
127.08681	5.8
128.04263	1.3
128.06245	1.0
128.07079	13.2
129.05464	1.2
129.06996	1.1
131.04944	1.3
131.08563	2.1
132.05704	1.0
133.02852	4.4
133.06506	5.5
133.10115	1.5
135.04416	20.7
135.05408	0.7
135.08020	0.7
135.11687	0.7
136.07489	0.9
137.02338	1.9
137.05952	1.8
137.09656	0.7
139.08658	12.2
139.11189	1.0
140.07069	3.8
141.06984	0.6
143.04921	1.2
143.08546	0.9
145.04977	2.1
145.06474	2.5
145.10129	1.3
147.04411	2.4
147.11667	2.2
149.06000	1.3
149.13280	0.9
151.03888	7.4
151.07550	0.8
151.11185	1.4
155.04953	0.6
155.08524	0.8
157.06490	1.3
157.10112	1.2
159.03133	1.0
159.04422	3.4
159.08040	1.4
161.02322	0.8
161.05963	3.1
161.09612	1.5
162.48598	0.5
163.03938	1.4
164.14354	1.8
165.01842	1.0
166.15976	1.1
167.07060	3.6
168.13925	0.9
169.05016	1.3
169.06409	0.7
169.12283	1.7
171.04413	1.0
171.08081	0.9
172.05060	0.7
173.06004	2.5
173.09593	0.8
174.12772	0.7
175.03897	1.2
175.07498	0.9
177.05521	1.5
177.09145	0.8
179.03397	1.5
179.11836	0.7
181.04922	3.7
182.15410	56.4
183.02946	0.8
183.04433	1.1
185.05919	1.2
185.09642	1.0
187.03893	1.4
187.07541	2.2
187.13310	0.8
189.01822	5.4
189.05501	1.0
191.03380	1.4
191.07037	1.3
191.15663	0.6
192.13800	2.8
195.03001	1.3
195.08063	0.8
197.05972	1.1
197.12871	4.3
199.07571	1.8
199.11246	0.7
200.04707	1.0
201.05432	3.3
201.09167	2.7
203.03398	2.4
203.10704	1.7
204.04166	0.6
205.04889	1.0
205.08606	0.7
207.02911	4.2
209.09831	0.8
209.14407	0.8
209.16489	48.5
210.14894	57.2
211.03877	0.6
211.07512	1.1
213.05536	1.5
213.09106	2.2
215.03458	1.3
215.06995	0.9
215.10640	1.7
215.13872	1.0
217.08675	1.0
219.02849	1.0
219.06543	1.6
221.04457	1.1
221.08064	0.7
225.09126	1.1
226.19138	33.0
227.10678	0.8
227.17484	1.1
228.04144	0.8
228.15955	4.5
229.04953	5.4
229.08588	2.7
231.02895	0.8
231.10248	0.9
233.04372	0.8
233.08060	4.2
237.05426	0.8
237.09096	0.9
239.03334	0.7
239.07182	0.8
241.04979	1.1
241.08580	0.9
243.10275	0.7
247.06067	1.6
253.08641	0.7
253.12292	0.8
255.10202	1.2
255.13855	1.9
257.04449	4.1
257.08362	0.7
259.04892	0.7
267.10144	0.7
269.15497	1.3
271.09692	1.6
271.13159	0.7
273.07602	0.8
273.11981	0.6
273.14819	11.7
275.05460	1.3
280.07449	0.9
281.08035	1.8
282.08905	1.2
283.09564	0.9
285.04019	5.2
285.06741	1.1
285.11423	1.2
285.14578	0.8
291.15921	2.1
292.07394	0.7
293.08041	2.2
294.08832	1.0
297.07550	4.7
297.11017	1.3
298.08145	1.4
303.04947	3.3
304.07431	1.2
305.08035	0.6
306.08725	0.9
307.09628	2.0
308.06891	6.5
308.27060	0.7
309.07550	4.6
309.10880	1.2
309.25256	1.2
310.08334	1.8
311.09003	2.0
311.12668	1.1
313.14420	1.9
318.08905	1.5
321.07550	20.9
321.11234	1.4
321.14978	0.9
322.08212	7.5
322.64139	0.6
323.09042	2.8
323.12521	0.7
323.16138	1.2
327.08490	1.7
329.17416	1.5
331.15384	1.4
333.07523	1.0
333.11197	1.6
334.08304	1.7
335.09131	7.9
335.24377	4.7
336.09958	4.6
336.22806	33.0
337.10608	1.6
339.08636	15.6
339.15802	1.6
340.09000	1.1
345.11139	0.7
345.16983	1.2
346.08136	1.4
347.08932	1.9
349.10641	1.5
350.11292	0.9
351.08627	3.7
351.12430	1.4
353.10284	0.7
359.09363	0.8
360.09909	1.9
361.10709	6.9
363.08566	3.2
364.09116	1.4
365.10379	3.3
367.08090	1.4
371.09125	1.9
374.07669	1.7
375.08545	2.4
376.08984	0.8
377.10150	1.9
379.11795	11.2
380.11981	1.2
381.17014	2.9
388.09470	1.6
389.10181	11.6
390.10458	1.0
391.08090	2.3
392.08804	0.9
399.08673	2.1
399.18161	5.5
405.09479	2.7
406.10367	1.1
407.11383	3.8
417.09750	37.3
417.14957	1.8
417.19485	6.5
417.32208	7.3
418.09991	4.5
418.19672	0.8
435.10739	87.4
435.19452	4.2
435.33279	100.0
436.11063	10.2
436.20190	1.0
436.33780	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.0
53.03947	4.0
55.01865	1.0
55.05515	3.8
59.04995	0.4
65.03940	1.9
67.05507	5.7
69.03425	1.4
69.07076	5.7
69.35619	2.4
69.36031	1.2
70.06580	1.4
71.05004	1.2
77.03938	1.3
79.05502	4.7
81.03418	1.8
81.07066	4.6
82.07474	0.4
83.01343	0.4
83.04995	0.8
83.08628	0.9
84.04467	0.4
85.02918	1.0
85.06538	1.3
91.05480	6.6
91.10677	0.4
93.03414	0.4
93.07048	3.5
95.04971	8.8
95.08608	3.8
97.02895	0.8
97.06535	0.8
97.10183	1.0
98.20760	0.8
103.05455	0.8
105.03396	100.0
105.04539	3.0
105.07021	4.1
106.03721	1.2
107.04963	2.5
107.08606	3.7
108.74470	0.4
109.02885	0.8
109.06551	1.2
109.10168	4.3
111.08134	0.5
111.11723	0.9
115.05456	2.0
117.07023	1.7
119.04979	2.1
119.08589	3.5
121.02834	0.5
121.06506	1.7
121.10157	3.7
123.04414	2.7
123.11697	1.0
125.06013	0.9
125.09666	0.4
127.03916	0.9
128.06252	1.2
129.07011	1.8
131.04930	6.1
131.08522	2.2
133.02847	1.1
133.06525	1.0
133.10133	2.8
135.04422	0.5
135.11691	0.7
137.06024	0.5
139.11247	0.5
141.07002	1.2
142.07787	1.3
143.04958	0.8
143.08568	1.9
144.05685	0.5
145.06488	2.0
145.10162	2.6
147.04413	7.0
147.08093	0.6
147.11705	2.0
149.02461	0.4
149.05981	1.2
149.13290	0.5
151.03922	1.9
151.07545	0.8
152.06337	0.5
153.01848	3.1
155.08553	1.5
157.06528	1.1
157.10123	2.4
159.04413	5.8
159.08086	0.5
159.11671	2.0
161.02383	0.5
161.05994	1.1
161.09576	1.0
161.13237	0.9
163.03940	3.1
163.14810	0.7
167.03474	0.7
167.07054	5.8
167.08499	0.9
169.06419	0.5
169.10217	0.8
171.04411	1.4
171.08073	0.7
171.11702	1.4
172.05208	0.9
173.05991	1.7
173.09660	0.8
173.13268	1.7
175.03920	39.7
175.14900	0.8
176.04276	0.9
177.05547	2.0
177.16414	0.6
178.07927	0.4
179.08615	0.7
181.04961	6.7
181.06499	0.6
181.08606	0.8
181.10165	0.6
183.08127	0.5
183.11674	1.1
184.12537	0.6
185.05974	1.0
185.09695	1.1
185.11592	0.4
185.13261	1.0
187.03918	28.1
187.07448	2.4
187.14833	1.1
188.04243	0.7
189.05545	3.2
189.09116	8.4
189.12729	0.6
189.16431	1.5
191.03436	0.5
191.07083	0.6
195.02936	0.9
195.06482	0.6
195.08116	1.2
195.11751	0.6
197.13268	0.6
198.06828	2.2
199.03917	7.4
199.07466	2.0
199.14877	2.0
201.05469	3.6
201.09183	1.0
201.16386	2.1
203.03424	3.7
203.07008	2.4
203.10692	0.5
206.05753	0.5
207.06538	0.5
209.08113	1.3
211.07568	0.5
213.05481	3.7
213.09056	1.9
213.16440	1.7
215.07069	1.2
215.17929	0.5
217.04991	0.8
217.08650	1.3
218.05925	0.5
221.04440	0.5
221.08107	0.8
223.07646	1.7
223.14877	0.4
226.06261	11.2
227.07022	1.8
228.07846	3.6
229.08623	15.8
230.08928	0.7
231.06633	0.9
231.10287	0.8
233.08052	3.8
239.07111	0.9
241.08594	34.0
242.09065	0.9
243.10162	13.1
245.08195	2.0
247.09767	1.6
253.08615	2.8
253.12379	0.5
255.10208	3.5
255.13785	1.9
257.08136	0.8
259.09885	0.6
263.09207	1.3
267.10260	0.7
271.09692	1.3
273.07715	6.3
273.14902	2.7
273.18686	0.5
274.07275	0.6
285.07700	0.6
287.07697	0.6
288.08170	0.5
291.16061	0.6
295.13306	9.3
313.14334	12.9
389.32199	1.0
399.14053	0.5
417.15210	2.9
417.31219	1.0
435.11353	1.9
435.20279	0.8
435.27499	0.7
435.32724	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	435.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35645	0.4
51.02368	1.3
53.03942	6.0
55.01853	0.5
55.05519	2.3
55.73868	0.4
56.22138	0.4
57.07052	0.5
59.04989	1.0
59.34930	0.5
63.46990	0.5
65.03922	0.6
65.68181	0.4
67.05501	3.6
69.07065	3.5
71.05003	0.7
77.03918	1.4
79.05486	2.4
81.03427	1.0
81.07048	2.0
83.01305	0.5
83.61196	0.5
85.06538	0.6
91.05457	3.1
93.07044	1.8
95.04966	9.7
95.08613	2.4
97.10143	0.6
105.03389	100.0
105.07029	1.4
106.03727	1.5
107.08600	1.8
109.06509	0.9
109.10138	2.5
111.11745	1.0
112.13113	0.4
115.05457	1.4
117.06966	0.9
119.04942	1.2
119.08587	1.2
121.10148	2.7
123.04434	1.2
123.11761	0.6
128.06190	0.5
129.07024	0.9
131.04938	5.0
131.08527	1.0
133.10138	1.0
135.11655	0.7
141.06982	0.5
142.07802	0.9
143.04898	0.4
143.08563	1.0
145.10135	1.3
147.04402	5.0
155.08537	0.7
157.10141	1.2
159.04417	5.0
159.11728	1.0
161.06027	0.6
163.03865	2.0
169.06503	0.5
169.10123	0.5
171.04422	1.1
171.07938	0.5
173.05948	1.0
173.13258	0.5
175.03909	30.0
177.05463	0.6
185.06004	0.9
187.03906	19.9
187.07542	1.4
189.05469	2.6
189.09099	5.2
195.08128	1.1
198.06847	1.1
199.03885	6.0
199.07544	0.8
201.05461	2.5
201.09125	0.6
202.02567	1.0
203.03366	2.4
203.07098	1.3
211.07562	0.9
213.05490	3.0
213.09128	0.9
215.07047	1.8
217.04918	0.8
217.08600	1.4
221.83328	0.4
223.07535	1.0
225.05518	0.4
225.09048	0.5
226.06227	7.4
227.07047	2.1
228.07867	2.3
229.08653	11.1
230.02153	1.5
231.10246	1.3
239.07057	1.2
241.08575	23.4
243.10170	11.8
244.10397	0.5
245.04456	5.7
245.08092	2.6
247.09451	0.5
253.08553	2.1
255.10191	1.9
257.08041	0.6
259.09692	1.0
295.13312	7.2
296.10269	0.5
313.10873	0.9
313.14279	8.9
314.14615	0.5
435.32977	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	435.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.4
51.02375	1.1
53.03949	4.9
55.01878	0.3
55.05519	1.9
56.75051	0.3
57.07076	0.9
59.04992	0.8
65.03939	0.4
67.05515	1.5
69.07060	2.2
69.83122	0.7
69.83540	0.8
71.05005	0.5
77.03931	1.3
79.05505	1.0
81.03431	0.6
81.07045	0.9
83.04990	0.3
85.06539	0.7
91.05480	2.1
93.07058	0.7
95.04971	9.6
95.08620	1.4
97.64687	0.3
98.20776	0.3
105.03394	100.0
105.04539	2.8
105.07032	1.1
106.03711	1.3
107.08578	0.7
109.06520	0.3
109.10180	1.0
111.11687	0.4
115.05469	0.7
117.07075	0.6
119.04950	0.6
119.08558	0.4
121.10159	0.9
123.04491	0.6
123.11696	0.3
129.07002	0.6
131.04950	2.4
131.08556	0.8
133.06479	0.4
133.10136	0.6
135.11732	0.5
139.11160	0.3
142.07761	0.3
143.08606	0.4
145.06497	0.3
145.10092	0.8
147.04405	2.4
147.11711	0.6
152.06157	0.3
155.08525	0.3
157.10139	0.6
159.04425	2.5
159.11726	0.3
161.09679	0.3
163.03928	1.2
171.04425	0.7
173.06020	0.9
175.03914	16.7
177.05487	1.4
183.11772	0.5
185.05977	0.8
187.03914	9.1
187.07510	0.6
189.05482	1.7
189.09116	2.1
198.06783	0.5
199.03909	3.1
199.07556	0.7
199.14725	0.4
201.05420	1.7
201.09048	0.4
203.03429	1.4
203.07005	0.8
211.07651	0.6
213.05476	2.7
213.09071	0.6
215.07045	1.0
217.05087	0.4
217.08661	0.8
223.07503	0.5
225.09108	0.4
226.06210	2.7
227.07047	1.5
228.07831	0.9
229.08615	6.1
231.10147	1.8
239.07147	0.5
241.08591	9.5
243.10187	6.1
245.08105	2.6
247.09738	0.4
253.08693	1.2
255.10188	0.6
257.08063	0.6
259.07135	0.3
259.09641	2.1
295.13293	3.6
305.07416	0.3
313.14349	6.9
387.30814	0.3
417.32193	0.4
435.32889	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.2
57.02406	1.9
57.03428	4.3
57.07060	2.0
59.93513	2.2
65.03942	3.2
67.05486	6.7
69.03435	10.2
69.07035	3.5
70.06572	6.4
70.26110	1.9
71.04993	2.8
71.18341	1.9
71.53242	2.3
77.03920	2.5
79.05478	8.1
81.03410	9.2
81.07059	14.6
83.04989	3.7
83.77590	1.9
84.04482	3.2
84.08115	2.2
85.02921	10.6
91.05493	10.6
93.05769	6.5
93.07017	6.2
93.93403	1.8
94.01682	1.8
94.06577	4.2
95.04961	6.2
95.08589	8.5
97.02886	3.7
103.05476	2.9
105.03417	2.7
105.07051	9.7
105.07623	1.9
107.04938	8.2
107.08582	4.6
108.08131	19.6
109.02843	6.4
109.10143	7.1
117.06980	3.0
119.04901	3.3
119.08574	5.0
120.08090	2.7
121.06465	7.0
121.10136	5.2
123.04405	3.5
123.08098	3.0
123.10149	1.8
127.03922	4.0
127.55624	2.1
129.06976	2.3
129.55075	1.8
131.07271	2.7
131.08563	5.4
132.04446	10.9
133.02808	12.3
133.06509	3.6
133.10141	3.3
135.04448	6.6
136.07578	53.3
137.05977	3.5
143.08592	4.1
144.05707	2.2
144.08095	3.5
145.06445	3.2
145.10161	4.6
147.04388	6.7
147.07982	2.4
149.05936	4.9
151.03885	14.0
151.07620	4.6
153.01805	7.0
156.08081	3.4
157.06442	2.4
157.10121	2.8
159.08043	5.1
159.11694	2.3
160.03937	5.9
161.05998	4.2
161.09590	5.2
162.05493	3.2
164.07014	8.1
167.07069	14.8
169.07677	4.0
171.08012	3.4
172.07584	4.8
174.09096	2.8
175.03972	3.3
177.05504	4.5
177.09094	4.7
178.04971	2.3
181.04994	15.5
182.08331	4.0
183.09164	8.7
187.07515	3.5
191.07111	4.9
193.07657	6.0
194.08284	4.5
195.09216	5.5
196.09906	2.8
198.07794	2.5
199.08669	3.3
203.10681	2.9
204.10266	3.1
208.06082	4.4
209.10753	6.5
210.07666	3.1
211.08647	8.3
211.14827	2.2
212.09251	2.8
222.07840	5.0
223.08673	9.3
224.09468	7.5
225.06470	12.4
225.10156	5.0
227.11765	5.7
231.05235	7.6
231.11270	3.5
233.08072	11.9
234.11159	3.2
235.08749	3.1
237.06519	3.8
237.10307	12.0
238.07301	4.3
239.08124	2.9
240.08891	3.1
241.09639	10.5
243.11317	3.1
245.08272	2.3
250.07085	3.2
251.08026	9.9
252.08875	5.4
253.09673	9.6
255.11267	10.3
255.13734	7.8
256.08313	5.0
257.09326	11.3
259.10791	40.6
259.14243	5.6
263.08182	4.7
265.09744	13.8
269.09329	4.0
269.12473	2.7
272.06235	3.1
273.07559	12.0
273.12042	2.5
273.14874	34.7
274.07083	76.0
279.07584	7.1
280.08392	13.9
281.09106	7.3
283.10767	12.6
287.10248	6.9
287.13904	6.6
291.15851	5.6
293.09085	10.5
295.07419	2.9
297.12280	5.7
308.07932	2.8
309.08463	4.2
311.06641	2.7
311.10248	54.2
312.10886	3.3
315.13333	19.2
321.08926	9.8
325.11829	9.8
339.09702	52.0
340.10406	5.6
343.12900	39.2
353.11392	7.9
365.80130	2.3
371.12372	100.0
372.12656	4.5
375.15543	6.1
385.13876	10.0
403.14966	86.5
404.15091	4.6
417.15573	7.7
435.17444	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	435.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.01860	7.5
55.05501	18.5
55.54954	3.4
56.73054	3.0
57.03429	8.7
57.07064	6.2
61.02921	3.2
65.03922	4.0
67.05504	24.6
68.75763	3.1
68.99781	4.2
69.03426	32.4
69.07079	19.4
69.48149	22.8
69.48547	6.9
70.06597	18.4
71.04990	11.0
72.08144	7.2
73.02925	6.5
74.65225	3.6
77.03928	8.2
79.05504	21.9
81.03429	38.0
81.07065	39.9
83.04972	8.1
83.08619	5.2
84.04485	10.9
84.08112	6.2
85.02914	34.4
85.06551	8.2
86.09704	7.3
91.05498	25.6
93.05780	7.1
93.07048	29.9
94.06599	4.7
95.04974	22.2
95.08608	26.1
97.02882	13.8
97.06519	9.0
99.04452	10.2
103.05444	7.6
105.03383	8.5
105.07041	28.8
106.07259	3.9
107.04967	26.4
107.08574	27.3
108.08109	19.5
109.02872	16.8
109.06524	10.8
109.10178	22.6
110.02440	4.2
111.04440	6.0
111.08086	7.2
115.05451	8.1
117.07005	9.4
119.04945	13.2
119.08571	13.3
120.08101	8.6
121.02827	4.9
121.06516	19.0
121.10122	17.3
122.06023	5.0
123.04420	7.5
123.08087	5.0
123.11683	11.4
125.05995	6.1
125.09651	10.0
127.03899	23.7
127.11188	5.0
128.06207	5.1
129.07018	6.7
131.04927	5.1
131.08553	13.6
132.04443	14.1
133.02867	46.1
133.06458	11.5
133.10118	13.9
135.04401	35.0
135.08069	6.9
135.11691	10.1
136.07579	62.5
137.05933	17.1
138.05467	4.1
139.11197	4.4
141.07002	6.0
143.08568	10.8
144.05704	6.8
144.08112	6.1
145.05000	4.4
145.06479	16.4
145.10150	16.3
146.05988	3.9
147.04411	34.9
147.08017	11.7
147.11703	5.9
148.07596	6.5
149.05977	11.0
149.07530	4.9
149.09639	6.4
151.03925	41.0
151.11234	5.3
152.07085	5.7
153.01840	32.5
153.05470	5.0
153.07019	4.2
155.06032	5.3
156.09308	3.8
157.06525	4.7
157.10130	11.8
159.08067	11.6
159.11687	8.4
160.03964	8.6
161.05984	12.3
161.09593	12.9
161.13232	7.4
163.03926	8.2
163.07545	7.7
163.11252	4.4
164.07083	11.4
165.01828	5.6
165.09097	4.5
167.07071	53.5
169.07666	3.9
169.10210	6.6
171.08063	9.7
171.11667	4.7
172.05215	5.0
172.07497	5.5
173.05972	9.7
173.09613	6.4
173.13242	8.2
175.03748	5.0
175.07498	5.9
176.07085	5.9
177.05443	15.2
177.09109	18.0
178.05066	7.0
181.04993	41.6
181.08597	7.0
182.08359	5.9
183.02873	5.1
183.09213	6.3
185.09593	5.8
187.07622	9.9
187.11185	5.1
189.09163	5.1
191.07024	5.1
191.10709	4.4
195.02856	10.5
195.09166	5.8
199.07376	4.6
200.04716	4.3
201.05426	5.6
201.09103	5.0
201.12730	3.9
203.10655	7.6
207.06462	4.9
209.08101	9.6
209.10803	5.0
210.07703	5.6
211.08795	7.0
212.09483	4.8
213.08908	5.4
213.12723	10.1
223.08781	7.6
224.09433	8.4
225.06544	13.4
225.10184	8.7
227.11983	4.5
227.14249	5.3
229.08440	5.9
231.05211	4.8
233.08105	34.2
237.10229	8.5
237.12560	3.9
238.07347	4.7
241.09663	12.4
243.11305	3.7
251.08148	7.1
252.08728	3.9
253.09706	11.8
254.10416	6.5
255.11217	13.1
255.13824	35.7
256.08389	6.9
257.09161	12.0
258.07022	5.9
259.04810	33.5
259.10770	40.8
263.08832	5.3
265.09656	5.8
269.09158	5.1
271.06024	9.3
272.06232	6.7
273.07474	52.7
273.14856	89.7
274.07083	66.3
279.07687	8.1
280.08395	15.9
281.09012	6.9
283.10834	15.4
287.09268	7.6
287.13831	10.4
291.15994	19.4
293.09161	7.7
297.12207	5.7
311.10291	53.5
315.13449	20.7
321.08783	9.7
325.11725	8.7
339.09735	46.1
340.10040	5.4
343.12970	40.3
353.11105	9.7
371.12335	100.0
375.15363	6.3
385.13632	9.7
387.14233	6.4
403.15048	66.4
417.14865	22.3
436.12424	16.3
436.26468	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44414	1.3
52.48925	1.2
53.03939	3.3
54.49735	1.2
57.03437	1.6
60.04507	2.5
65.03931	2.2
67.05508	2.4
69.03432	9.2
69.76721	7.2
70.06593	15.3
71.04984	2.4
71.06924	1.9
72.08158	4.0
74.06081	1.2
81.03424	6.9
81.07079	2.3
83.04965	4.4
84.04504	2.7
84.08122	3.2
85.02906	11.7
86.09685	1.9
88.04005	1.3
91.05445	2.2
95.04980	9.1
97.02884	4.8
98.20761	2.5
98.97550	1.5
99.04455	2.8
105.03387	1.8
107.04987	1.7
109.02876	4.9
110.06038	1.2
111.04453	2.1
112.07594	1.4
116.07102	2.3
119.04945	1.3
121.02872	100.0
121.77209	1.2
123.08021	1.5
124.03960	2.0
126.05457	1.5
127.03927	7.8
128.07095	2.9
129.10265	2.0
130.05066	1.3
130.08609	1.5
134.09435	1.3
139.03908	18.2
143.08209	2.1
145.04993	1.7
147.04401	4.3
151.03932	1.5
151.07552	11.3
152.07933	8.0
153.01814	4.6
154.04994	8.5
171.06557	2.0
219.07707	1.2
229.09651	2.4
265.07047	3.1
270.00369	1.5
273.07608	6.6
273.11603	1.2
283.08081	10.6
306.69083	1.5
434.03586	1.4
435.18201	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1287
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
55.05478	0.7
57.03441	0.9
65.03931	0.6
66.93069	0.6
67.01856	0.9
67.05492	0.7
68.99788	1.3
69.03432	3.0
70.06598	4.5
70.11091	0.5
70.86773	1.9
71.04988	0.6
81.03403	2.1
81.07037	0.9
84.04500	0.7
85.02908	6.9
86.09692	1.6
91.05505	3.3
93.07035	0.7
95.04957	1.9
95.08585	0.6
97.02874	2.6
105.03408	0.8
107.04949	2.1
109.02862	1.4
119.04942	8.4
120.08070	0.8
121.02866	2.1
121.06501	1.0
123.04475	3.1
123.11741	0.7
127.03873	2.2
127.34767	0.6
129.01843	0.7
134.37408	0.6
145.04956	0.9
147.04410	32.4
151.03931	1.8
153.01828	68.9
154.02180	0.8
165.01813	4.0
167.07025	0.7
169.12361	1.1
171.02933	4.5
171.04185	0.8
177.01788	1.0
179.03328	0.9
183.02899	2.5
189.01889	0.6
191.03413	2.2
195.02908	8.5
207.02852	0.6
210.68553	0.6
215.03450	0.8
219.02847	3.5
231.02898	1.9
249.03967	1.0
255.06601	0.8
255.11337	0.7
261.03854	3.1
273.07571	100.0
274.07843	2.4
279.04968	0.8
285.07632	3.5
297.07599	1.0
304.62186	0.6
315.08517	2.1
339.08597	3.1
347.73538	0.6
351.08795	1.6
351.22250	0.6
363.08426	0.9
369.09674	1.5
372.91849	0.7
381.09714	0.7
399.10669	1.5
417.11551	0.8
435.13361	1.2
435.27249	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04666	0.4
53.03951	0.6
55.01871	0.6
55.05506	1.0
57.03428	1.7
60.05641	0.5
61.02926	1.0
65.03941	0.4
65.68033	0.3
67.01858	1.1
67.05495	0.9
68.99475	0.4
68.99797	1.7
69.03433	3.6
69.07057	1.4
70.06590	7.7
70.09066	1.7
71.04988	1.2
72.08150	0.9
74.06043	0.4
78.48935	0.4
79.05481	0.8
81.03425	2.6
81.07040	1.3
83.04976	1.3
84.04492	1.1
84.08153	1.2
85.02900	7.8
85.06532	1.0
86.09682	1.9
91.05482	4.5
92.39091	0.5
93.07047	0.8
94.43227	0.4
95.04972	2.2
95.08582	0.4
97.02901	2.6
97.06565	0.5
99.04458	0.7
99.83214	0.4
103.03918	0.5
105.03326	0.4
105.07044	0.9
107.04954	2.9
107.08579	0.5
109.02849	2.1
109.06482	0.8
109.10139	1.1
109.48226	0.4
111.00815	0.7
111.04432	0.5
112.08723	1.7
115.05479	0.4
115.08638	0.4
119.04942	10.8
119.08598	0.8
120.08166	2.0
121.02862	2.0
121.06533	1.3
123.04420	4.1
127.03947	2.0
129.10236	0.6
130.06505	0.5
131.04922	0.6
133.02872	0.6
133.10086	0.4
135.04420	0.5
135.08122	0.4
136.07501	0.5
137.06000	0.7
140.63565	0.5
145.04965	0.8
147.04404	38.0
149.02370	0.5
151.03932	1.5
151.11131	0.6
153.01826	76.9
153.12738	0.5
154.02122	0.7
161.05899	0.7
161.09483	0.5
163.03940	1.0
163.07507	0.6
165.01826	5.4
167.07045	0.5
169.12289	0.8
171.02892	4.9
177.01834	1.9
179.03392	1.3
181.04890	0.5
183.02907	3.2
189.05461	1.2
191.03419	2.8
195.02896	9.7
205.05043	0.6
211.14394	0.5
213.09322	0.5
215.03336	0.5
219.02892	4.8
225.17178	0.9
231.02913	2.1
231.06427	0.6
243.02904	0.8
249.03940	1.8
255.06601	0.7
255.11354	0.6
261.03989	2.5
273.07568	100.0
274.07935	1.6
279.04953	0.7
285.07642	3.9
297.08026	0.9
308.63889	0.4
315.08752	1.9
339.08661	3.2
351.08749	2.0
351.28992	0.4
363.08557	0.7
369.09677	1.0
381.09589	0.8
399.10977	0.8
399.18066	0.8
399.25323	0.5
417.19385	0.7
435.13141	0.7
435.21112	0.8
435.27472	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	435.1285
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
55.01865	0.5
57.03419	0.4
61.02921	0.5
67.01846	1.3
67.05491	0.8
68.99777	1.1
69.03433	1.7
69.07031	0.4
70.06566	0.5
70.86851	0.7
70.87196	0.4
71.04969	0.4
79.05485	0.5
81.03396	0.9
84.04490	0.4
85.02911	3.2
86.09675	0.5
91.05482	3.7
93.07027	0.7
95.04947	1.4
97.02890	2.0
99.04432	0.5
107.04946	2.0
107.08574	0.6
109.02875	1.1
109.10143	0.6
119.04944	10.1
119.08578	0.5
121.02850	1.2
121.06550	0.8
121.10194	0.5
123.04435	2.9
127.03864	0.8
133.06503	0.4
133.10136	0.5
145.05058	0.3
145.06401	0.4
145.10213	0.3
147.04411	36.3
148.04684	0.5
151.03914	1.8
153.01826	72.8
154.02138	1.3
155.02371	0.4
157.06473	0.3
162.09093	0.4
163.03893	0.5
165.01859	2.7
171.02881	3.0
177.01793	0.8
177.05502	0.5
179.03455	1.1
181.04944	0.8
181.08577	0.4
183.02939	1.1
189.05473	0.8
191.03448	1.3
195.02901	5.1
207.06525	0.4
217.83711	0.3
219.02917	1.9
231.02908	0.9
233.08200	0.4
249.04001	0.8
249.06497	0.4
255.06532	0.6
255.13954	0.6
259.04883	0.4
261.04041	1.1
262.64163	0.4
271.06018	8.8
271.08820	0.5
272.06351	7.5
273.07571	100.0
274.07983	3.2
278.55817	0.3
279.04852	0.8
285.07541	1.6
297.07614	0.9
304.71445	0.4
315.08713	0.8
339.08655	1.0
341.77899	0.3
351.08688	0.8
363.08444	0.5
369.09763	0.4
417.11374	0.4
422.20374	0.4
435.11841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1286
Annotation	Chalconaringenin 4-glucoside
Peak:m/z	Relative Intensity
50.50198	0.7
53.03945	2.3
53.11476	0.6
55.01865	2.3
55.05507	1.7
57.03442	1.2
62.60254	0.8
63.11392	0.8
65.03953	1.5
67.01842	1.2
67.05505	4.0
68.99791	1.7
69.03436	4.6
69.07064	1.5
69.79031	4.7
70.06551	1.2
79.05499	5.6
81.03410	3.6
81.07065	5.0
83.04968	2.0
84.67143	0.8
85.02906	6.1
85.06483	0.9
91.05489	8.2
93.03413	1.3
93.07041	5.3
93.33518	0.7
95.04972	4.8
95.08614	3.4
97.02892	2.6
97.06545	1.6
99.04458	1.3
103.05457	1.4
105.03402	1.1
105.07022	4.2
106.04207	1.3
107.04938	7.3
107.08611	3.1
109.02891	3.0
109.06528	1.6
109.10143	3.8
111.04433	0.9
114.09161	1.0
115.05460	1.0
117.07015	1.0
119.04930	11.0
119.08564	3.5
121.02872	4.8
121.06502	3.9
121.10143	3.4
123.04412	4.3
123.11702	2.1
127.03941	1.7
129.07043	1.1
130.07704	0.9
131.04916	1.4
131.08556	2.4
133.02849	2.9
133.06485	1.8
133.10109	3.5
134.96487	0.9
135.04416	3.4
135.11678	1.5
137.05971	1.6
141.01849	0.9
143.08546	1.7
145.06485	4.0
145.10101	2.2
147.04411	38.8
147.07948	1.1
147.11691	2.1
148.04988	0.8
149.06035	2.0
149.09554	0.9
149.13141	1.0
151.03902	3.2
151.07500	0.7
153.01833	68.2
154.02173	1.8
156.09381	1.0
157.06474	1.2
157.10098	1.2
159.04332	0.8
159.08067	1.8
159.11691	2.5
161.06018	2.0
161.09605	1.8
161.13289	1.1
163.03912	2.4
163.07521	1.1
163.11168	1.5
165.01852	10.6
167.03445	1.1
167.07037	12.0
169.10172	1.7
171.02913	4.3
171.08037	1.4
171.11761	0.9
172.05220	1.3
173.05992	1.7
175.03894	2.1
175.07553	1.3
175.14804	0.7
177.01845	2.4
177.05473	2.3
177.09114	1.2
179.03479	1.3
179.07089	1.3
181.04962	13.6
181.06528	1.1
181.08614	1.3
183.02847	4.7
183.11736	1.1
185.09647	1.1
185.13344	1.1
187.07542	2.1
187.11156	0.8
187.14864	0.8
189.05417	1.8
191.03413	4.2
191.07069	1.2
195.02870	18.2
199.14952	1.0
201.05450	2.3
203.03409	1.0
203.06998	1.1
203.10594	1.3
205.04988	1.5
207.06580	2.6
208.06963	1.1
209.08142	2.5
218.05745	1.2
219.02892	6.2
221.08014	2.2
227.14436	0.9
231.02881	6.0
231.06615	0.9
233.08041	8.6
237.12927	0.8
243.02911	0.9
249.03900	2.5
251.09250	1.2
255.13786	2.5
259.07953	2.6
261.03915	4.2
263.09152	1.2
271.13196	1.0
273.07581	100.0
273.14539	4.3
274.07605	3.3
279.04901	1.2
279.39850	0.8
285.07541	8.1
286.07428	0.9
287.07523	2.8
288.08337	2.2
289.08774	1.2
291.16098	1.0
297.07535	2.8
315.08575	3.4
339.08572	6.1
339.12143	1.2
351.08612	2.4
357.95267	0.8
363.08582	0.9
369.09418	1.3
381.09622	1.0
387.14459	0.9
399.10361	1.4
417.10654	1.4
417.15289	8.1
435.10883	7.3
435.20001	1.7
435.32492	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1286
Annotation	Chalconaringenin 4-glucoside
Peak:m/z	Relative Intensity
50.57170	0.4
55.01870	0.8
57.03421	1.4
61.02926	0.7
64.03269	0.4
66.61237	0.4
67.01851	1.6
67.05505	0.5
68.99792	1.4
69.03415	1.7
69.61921	0.7
69.62323	2.1
72.08199	0.4
81.03401	1.2
81.07053	0.8
85.02911	6.0
91.05482	3.4
93.07029	0.6
95.04964	1.7
97.02891	1.5
105.03323	0.4
105.07021	0.7
107.04964	2.5
107.08604	0.5
109.02881	1.8
109.10203	0.6
119.04939	10.4
119.08626	0.5
119.85432	0.4
121.02853	3.1
121.06494	0.6
122.33333	0.4
123.04432	3.6
123.11690	0.5
125.02351	0.6
127.03915	0.9
133.02898	0.8
135.04453	0.9
141.01868	0.5
147.04410	37.1
148.04869	0.5
148.06165	0.4
149.02332	0.7
151.03934	1.8
153.01828	73.9
154.02162	0.6
163.03912	1.8
163.07616	0.5
165.01836	9.7
171.02884	3.8
177.01826	2.9
179.03395	1.4
183.02931	4.4
189.01826	0.8
189.05473	1.1
191.03401	5.0
195.02879	18.2
203.03337	0.6
205.04941	0.7
207.02885	0.6
207.06526	0.4
209.04631	0.4
215.03470	0.7
215.35040	0.4
219.02863	7.0
231.02858	4.7
233.08105	0.5
237.03819	0.4
243.02936	1.6
249.03961	2.5
255.06474	0.6
261.03958	3.7
271.06021	2.4
272.06400	1.8
273.07578	100.0
274.07889	1.9
279.05063	1.8
285.07526	6.6
290.72433	0.5
297.07852	2.6
315.08725	3.3
339.08636	5.5
351.08652	2.5
363.08774	1.0
369.09579	2.0
381.09610	1.9
399.10681	1.6
417.11569	1.0
433.88644	0.5
435.12897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.0
65.95995	1.4
67.05492	7.3
69.03427	3.6
69.07076	2.0
70.06564	2.5
70.86012	1.6
71.04998	1.6
71.52580	2.3
71.98454	1.6
78.53598	1.5
79.05478	5.7
79.05932	2.0
81.03414	2.2
81.07050	7.1
83.08628	1.7
84.04507	6.0
85.02906	3.1
91.05473	6.3
92.04990	1.6
92.05788	1.9
93.07030	5.3
93.14799	1.6
95.04942	2.0
95.08580	4.3
97.10178	1.8
105.03388	9.3
105.07018	6.5
107.04958	2.1
107.08579	4.8
109.02889	2.7
109.10130	4.8
111.04443	2.1
117.07003	2.5
119.08569	1.8
120.04453	6.8
121.10111	3.1
129.07019	3.1
130.06522	9.8
132.04437	6.9
133.10103	3.4
135.11676	1.9
144.08076	2.2
146.06041	8.1
153.01772	1.7
155.08574	2.1
157.08891	2.1
158.06023	34.3
158.09596	2.2
159.06462	2.8
159.11636	2.5
167.07202	6.2
172.07567	3.9
172.11147	2.4
173.11568	1.9
175.03886	3.1
181.04916	4.0
182.09642	12.3
183.09961	1.9
196.07664	3.1
198.08818	1.9
200.07063	4.8
200.10707	100.0
201.11037	10.9
208.07507	3.3
209.08249	1.8
216.10291	2.2
217.10609	3.7
233.08054	2.1
238.12411	2.9
264.13885	4.6
271.06052	2.9
272.06216	4.7
273.07632	2.5
288.10291	2.1
296.12836	4.3
319.11691	1.9
322.86789	1.9
334.14383	6.5
360.15674	2.5
417.15036	2.3
434.12073	2.2
434.23056	4.5
434.30090	3.3
435.13187	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	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56012	1.2
53.03947	5.8
55.01862	2.2
55.05510	10.3
56.05035	2.4
57.03441	2.3
60.04504	2.7
65.03931	2.5
67.05507	43.2
68.05038	8.1
69.03439	5.8
69.07082	7.3
69.57610	6.1
69.58032	1.9
70.06599	13.1
71.04965	1.5
71.06908	1.2
72.08140	4.2
74.06059	3.0
79.05491	19.6
81.03438	6.9
81.07057	51.9
82.06581	17.9
82.53040	1.3
83.04982	3.0
83.08612	1.4
84.04496	8.1
84.08133	4.6
85.02897	10.8
85.06542	1.6
86.09688	4.5
88.16975	1.2
91.05482	8.3
93.07050	15.2
94.06561	3.0
95.04949	3.4
95.08607	100.0
96.04485	2.8
97.02889	4.5
98.97599	1.6
99.04451	1.5
100.07598	2.9
105.07026	3.9
106.02931	2.4
106.06564	1.6
107.04920	2.2
107.07369	2.4
107.08589	3.8
108.08090	2.0
109.02865	4.6
109.06519	39.9
111.08128	1.3
112.07578	6.0
116.07123	1.7
116.98581	1.3
117.06999	2.2
119.04926	3.4
119.08581	2.6
120.08097	2.1
121.10139	3.0
122.06045	1.5
122.09723	1.5
123.04452	1.8
123.08070	78.2
124.03987	5.7
126.05454	1.8
126.09132	2.1
127.03912	3.5
127.07541	1.5
128.07082	45.7
129.10237	2.1
131.08516	1.6
133.10121	3.3
134.09673	1.7
135.08044	1.9
136.07545	1.8
136.49600	1.3
137.05963	2.2
138.05482	1.9
140.07051	1.6
141.09081	2.4
142.08693	1.5
145.10107	2.7
146.09601	2.0
147.04388	2.8
147.11601	1.9
149.09660	2.5
151.07570	6.9
154.04951	1.6
157.08997	1.4
159.08044	1.6
161.09647	1.2
161.11990	2.0
162.12758	4.9
163.07532	2.4
172.11194	2.2
173.09642	1.5
175.03938	1.7
178.12268	4.3
179.10768	1.9
188.09149	1.4
190.12250	10.1
191.10724	1.5
206.15417	1.8
207.06523	3.5
207.10139	2.0
208.13330	3.3
208.97475	1.3
212.12781	3.9
218.11823	8.1
219.01775	1.9
236.12892	6.4
252.46391	1.2
254.13884	23.5
268.08350	2.8
272.14935	45.8
272.17914	2.2
326.14221	1.4
332.13394	4.0
350.14468	4.7
434.15433	2.3
434.20691	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	434.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.8
53.02501	0.8
53.03939	2.0
53.78654	0.8
55.05508	2.0
56.05015	1.4
57.03428	4.3
58.97002	0.8
59.04954	0.9
60.04522	1.6
61.02910	1.4
65.03944	1.2
67.05476	3.4
68.04998	1.1
68.65260	0.8
69.03432	11.4
69.07037	0.9
69.12101	0.8
69.35287	4.1
69.35722	3.9
70.06590	30.5
71.04977	3.2
72.08144	3.5
73.02897	1.3
75.04457	0.9
78.03448	7.1
79.05502	1.1
80.05003	2.0
81.02984	1.5
81.03416	15.7
81.07050	2.6
82.06565	1.1
83.04971	2.3
84.04494	7.3
84.08138	5.1
85.02899	12.7
86.06057	1.2
86.09682	2.5
91.05455	1.8
95.04971	3.4
95.08597	1.1
96.04500	5.3
97.02888	5.7
98.06020	1.1
99.04434	1.8
104.05323	1.4
106.02911	37.4
107.04981	1.2
108.04486	1.5
109.02869	9.2
110.06014	2.5
110.07202	1.1
112.07591	3.9
113.06001	2.4
114.05527	1.3
116.07046	1.0
119.04897	1.2
122.06055	1.9
124.03947	100.0
124.07586	1.5
125.04269	1.6
126.05502	1.8
127.03898	9.6
127.08646	0.8
128.07074	3.1
129.10251	2.5
130.06508	1.1
131.07031	3.7
136.03934	37.7
136.07521	2.3
138.05518	4.2
138.06427	0.8
145.04988	1.1
147.04411	3.8
149.08174	1.4
151.07449	0.8
153.01797	0.9
154.04988	17.2
157.07594	3.5
162.09163	0.9
166.05093	2.0
167.07025	1.9
168.06531	2.3
173.02177	0.8
175.03909	1.9
184.06061	2.0
186.11293	1.2
202.08136	1.1
207.06537	3.9
232.05972	4.6
250.07137	9.7
264.08603	1.0
268.08148	53.1
269.08267	1.6
271.05951	1.4
272.06281	1.2
272.10217	5.3
273.07550	1.6
274.12851	2.2
280.08136	3.1
294.84491	0.8
298.09216	6.6
298.87698	0.9
372.20325	1.6
434.17105	4.5
434.21661	2.0
435.14822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
53.03939	2.2
55.01854	0.5
55.05517	0.7
56.05029	0.6
57.03428	1.5
59.28561	0.5
61.02919	0.6
66.72193	0.5
67.05497	1.2
69.03426	9.4
70.06601	5.3
71.04985	1.7
71.22878	1.1
72.08144	1.5
73.02910	1.1
75.04478	1.1
78.03448	7.7
80.05021	1.9
81.03417	13.8
82.06579	1.4
83.04969	1.9
84.04500	1.8
84.08139	1.8
85.02903	7.3
86.09680	0.9
89.50407	0.5
95.04966	0.9
95.08595	0.5
96.04502	4.0
97.02873	4.2
99.04453	2.2
105.03400	0.5
106.02912	39.5
109.02882	8.4
109.06524	0.6
110.07178	0.7
113.05995	2.3
116.07086	0.7
119.04955	0.6
123.63334	0.6
124.03949	100.0
125.04278	1.6
127.03917	6.0
128.07097	3.9
131.07036	3.7
136.03949	5.5
145.04936	0.9
149.08087	1.9
151.07692	0.7
154.05005	2.7
166.05000	1.5
167.09132	1.2
188.09137	0.6
207.06531	1.4
232.06087	2.8
236.01875	0.6
250.07120	11.8
268.08151	68.5
269.08533	1.9
272.03897	0.6
280.08078	1.1
298.09357	1.6
332.13159	0.8
350.14362	0.6
362.02377	0.7
434.16663	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	434.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01865	0.2
55.05503	0.3
57.03426	0.2
57.07065	0.2
61.02905	0.2
67.05491	0.7
69.03433	1.4
69.07056	0.3
70.06583	0.4
70.74622	0.4
71.04989	0.2
73.02915	0.4
73.80703	0.1
79.05478	0.5
81.03404	1.1
81.07060	1.3
83.04970	0.6
83.08614	0.2
84.04505	1.2
85.02438	0.2
85.02906	2.9
85.06543	0.2
87.00811	0.7
91.05463	0.6
93.07049	0.5
95.04967	1.0
95.08595	0.4
97.02881	1.3
99.04436	0.4
103.03938	0.3
105.01862	1.0
105.03389	0.3
105.07016	0.7
107.04957	0.2
107.08611	0.7
109.02858	1.0
109.06501	0.5
109.10124	0.5
113.05998	0.7
117.07048	0.3
119.04883	0.2
119.08594	0.3
121.10152	0.2
123.04445	0.2
123.11703	0.8
127.03921	1.6
129.01813	0.2
131.04877	0.2
131.08536	0.3
133.02863	0.3
133.10094	0.5
135.04369	0.3
135.08046	0.2
139.11201	0.2
145.04974	0.6
145.06503	0.3
145.10143	0.2
147.04422	0.3
151.03897	0.3
151.11172	1.0
153.01825	0.4
159.02870	0.3
163.11258	0.2
167.07039	0.4
169.12196	0.2
171.08130	0.2
175.11192	0.2
181.04985	0.5
200.07040	0.7
201.07800	0.2
212.07138	0.4
214.04959	0.4
214.08566	0.2
228.06586	0.7
229.07330	9.4
230.07797	0.5
231.05064	0.2
233.08008	0.2
240.06587	0.3
244.09756	0.2
257.06833	5.3
258.07263	0.2
271.06009	0.9
272.09167	100.0
273.09656	3.6
273.14844	0.5
288.08551	0.2
303.54010	0.2
416.18539	0.2
417.15466	0.3
434.14508	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	434.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.4
54.30695	1.2
55.01876	7.2
55.05497	4.4
56.05010	2.1
57.03434	6.9
61.02906	4.8
67.05500	4.9
68.99773	1.8
69.03427	24.7
69.07047	2.1
70.06595	15.5
71.04976	5.6
71.53153	1.7
72.08139	4.3
73.02897	5.6
79.05470	3.3
81.03415	27.5
81.07068	6.9
82.06577	1.9
82.07381	1.6
83.01322	1.3
83.04957	2.6
84.04507	17.8
84.08142	10.6
85.02901	55.0
85.06556	1.8
86.03215	1.4
86.06046	3.8
86.09674	7.6
87.00826	20.6
87.04446	1.6
91.05484	4.6
93.03372	1.8
93.07027	4.6
95.04968	4.2
95.08593	4.9
97.02884	37.7
97.06484	1.5
98.52530	1.4
99.02679	3.2
99.04447	11.4
103.03951	2.6
105.01857	20.5
105.03365	4.0
105.07013	4.1
107.04923	2.8
107.08556	3.7
109.02870	28.0
109.06470	3.2
109.10127	4.6
110.06046	1.3
110.10474	1.9
111.04440	1.9
111.08037	1.8
116.07083	2.2
117.01817	2.2
119.08550	2.4
120.08121	5.2
121.02854	2.9
121.10166	4.5
122.06002	1.8
123.04385	2.6
123.07990	1.7
123.11717	2.1
125.05980	2.2
126.05543	2.5
127.03913	46.2
127.11152	1.9
128.04207	3.2
128.07068	6.2
129.01837	3.9
129.07008	1.4
129.10172	2.2
133.02837	1.5
133.06467	5.3
133.10098	3.2
135.04419	19.5
136.07527	1.9
137.02325	20.5
138.05501	1.2
141.01785	1.7
145.04950	26.3
145.06094	2.3
145.06557	2.0
145.10103	1.7
147.02869	1.7
147.04326	2.0
150.05444	2.8
151.03954	2.0
151.11160	3.4
159.02873	13.1
159.04324	3.5
159.08031	2.0
161.02304	2.0
161.05984	2.8
163.03812	1.7
165.01866	3.2
168.06493	2.0
169.04956	26.3
169.12202	2.0
175.03900	1.6
177.05402	1.5
179.03363	2.1
181.04994	1.7
185.11713	3.7
187.07542	1.9
187.13243	1.7
188.07349	1.8
189.01820	5.0
189.05540	1.8
191.08208	2.6
192.08517	2.3
201.05441	3.0
203.03407	2.7
207.02867	4.1
212.07841	1.6
215.03429	1.7
229.04961	4.2
231.04922	6.8
231.18605	1.5
233.08049	1.6
239.03264	1.7
241.08757	1.6
246.13042	1.6
257.04379	4.4
266.22049	1.4
272.06210	3.0
272.13254	3.4
273.14948	2.0
281.07742	2.3
282.08536	1.8
283.05984	2.9
284.06393	10.8
285.03885	6.2
285.06812	2.6
289.04993	1.6
291.15613	1.6
293.07986	3.0
296.06403	2.3
297.07562	4.6
298.08060	2.3
303.05069	4.0
307.09518	2.4
308.06677	6.5
308.10083	2.3
309.07498	5.0
310.08026	3.2
311.09076	1.4
313.06924	2.9
314.07379	10.4
321.07608	24.1
322.08289	5.0
322.11856	1.6
323.09280	3.7
324.09344	2.4
327.08762	2.0
333.07819	1.8
334.08337	2.2
335.09058	8.5
336.09778	5.4
337.10596	1.6
338.07327	3.8
339.08597	15.5
346.08337	3.1
347.08997	1.5
349.11096	1.8
351.08459	5.0
361.10660	6.5
363.08566	2.2
365.10095	2.7
368.08728	3.0
371.09125	2.0
374.07950	1.8
377.10162	1.8
379.11685	9.2
380.08530	1.8
389.10159	13.6
391.07986	2.4
398.09418	4.4
399.08707	2.1
405.09442	3.0
407.11139	5.0
416.11075	4.5
417.09729	33.6
434.11737	8.5
434.26218	1.4
435.10724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.8
55.01866	10.1
55.05507	2.4
56.05038	2.0
57.03436	8.1
59.11802	1.1
61.02932	7.9
64.54111	1.7
64.74811	1.4
67.05500	3.7
68.99770	4.4
69.03433	36.2
69.07058	2.5
70.06605	7.9
70.88029	1.5
70.88372	3.4
71.04996	15.7
72.08148	3.6
73.02916	13.5
75.04481	1.4
79.05489	3.3
81.03421	36.3
81.07046	2.8
82.07365	1.4
83.04970	1.8
84.04507	16.8
84.08142	7.4
85.02907	100.0
85.06538	1.7
86.03243	3.8
86.09710	5.5
87.00832	36.1
87.04443	3.3
87.62146	1.7
91.03994	1.5
91.05483	3.6
93.07046	3.0
94.47726	1.5
95.04958	1.6
95.08591	3.9
96.08113	1.4
97.02895	71.3
98.03189	2.0
99.04464	20.6
101.02379	1.5
101.89742	1.6
102.59827	1.4
103.03958	1.7
105.01867	36.0
105.03381	3.2
105.07027	3.9
107.04944	2.7
107.08568	2.7
109.02885	36.2
109.10146	2.3
110.03212	1.5
111.08002	2.0
117.01842	4.9
117.07023	1.4
118.21310	1.7
119.08643	1.5
120.08141	2.4
121.02858	1.8
122.06023	4.9
123.08015	1.7
126.05510	3.3
127.03917	84.8
128.07091	1.9
129.01810	5.5
129.10286	2.2
133.10130	2.7
135.04420	1.4
136.04727	1.9
137.02341	25.2
137.05959	1.9
145.04961	62.5
145.10158	1.8
145.25885	1.6
147.02858	4.2
149.80110	1.4
150.05492	5.0
151.11127	2.7
153.01837	4.2
157.10002	1.4
159.02879	27.1
167.14305	1.9
168.06561	4.2
168.08069	4.6
168.14749	2.7
169.04977	30.9
169.09958	1.2
177.03859	2.3
180.79541	1.2
183.02849	1.6
185.11736	5.1
185.15244	1.5
186.12068	8.7
203.03380	1.5
213.03949	2.5
231.05000	14.9
271.06006	9.6
272.06360	20.1
272.13181	3.2
283.06104	2.6
284.06393	3.9
287.05469	8.1
288.05869	26.9
290.14667	2.3
313.06943	2.1
314.07367	3.8
338.07376	3.6
368.08548	2.2
380.08450	2.8
398.09579	3.2
416.10931	2.9
434.12970	5.6
438.55933	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	433.3102
Annotation	beta-Citraurin
Peak:m/z	Relative Intensity
53.03944	1.3
54.24055	0.9
55.01875	1.6
55.05513	7.3
57.03435	2.3
57.07059	1.7
59.04987	1.2
65.03938	1.3
67.05508	14.8
69.03424	1.4
69.07077	7.8
71.04980	3.4
71.53751	1.3
71.54116	1.1
75.93475	0.8
79.05489	10.0
79.52058	0.8
81.03432	1.1
81.07056	18.2
81.60269	0.9
83.04987	7.9
83.08617	3.6
85.06553	2.1
91.05482	10.4
93.07037	15.4
95.04971	28.8
95.08607	19.7
97.06526	2.9
98.98456	7.1
99.85655	1.1
100.55955	0.9
105.07027	19.0
107.05001	1.4
107.08605	15.9
109.06523	4.1
109.10146	15.5
111.08098	2.0
111.11710	1.0
115.05416	1.5
117.07014	5.0
117.74895	1.0
119.08588	20.2
121.06507	4.2
121.10142	12.2
123.08052	2.5
123.11720	6.1
125.09575	1.1
127.07612	1.1
128.06236	2.2
129.07001	3.9
131.08563	10.3
133.06465	1.0
133.10139	16.5
135.08058	2.7
135.11679	6.6
137.00000	1.9
137.13223	2.4
139.07523	1.5
141.06973	2.3
142.07803	2.5
143.08578	9.2
145.06468	1.3
145.10106	16.3
147.08064	1.7
147.11682	12.6
149.09601	1.6
149.13263	3.1
153.07021	1.2
153.09138	2.3
155.08546	6.1
156.09222	1.8
157.10147	9.9
158.10786	1.5
159.08034	1.9
159.11696	12.6
161.09621	2.6
161.13210	6.2
163.11171	1.5
163.14874	2.3
167.08578	2.4
168.09496	1.0
169.10086	6.0
171.11725	8.2
173.09648	2.1
173.13289	10.3
175.11234	1.2
175.14842	7.9
179.08484	1.7
181.10146	5.7
182.10895	1.4
183.11685	9.2
184.12354	1.4
185.13234	9.6
187.11203	2.0
187.14799	8.2
189.12859	1.2
189.16379	3.5
193.10077	2.4
194.10939	1.0
195.11681	7.5
197.13237	7.5
199.11218	1.5
199.14847	6.0
201.12828	2.0
201.16426	7.2
203.18098	1.3
207.11757	4.7
209.13271	5.5
210.14050	1.2
211.11320	1.3
211.14856	4.9
213.12825	2.3
213.16429	3.0
215.14392	1.5
215.17998	1.4
219.11620	1.6
220.12381	1.5
221.13243	3.8
223.14861	4.3
225.12724	1.5
225.16342	4.4
227.14233	1.6
227.18016	1.8
229.15887	2.6
229.19493	1.4
231.11609	1.2
233.13326	2.0
235.11180	1.1
235.14848	3.9
237.16417	4.5
239.14287	2.0
239.18013	1.8
241.19508	1.9
243.17470	1.4
247.14813	1.6
249.16473	2.6
251.18039	2.4
253.19734	1.9
255.21170	1.5
257.19095	1.2
259.16989	1.3
261.16400	1.8
261.22162	2.0
263.18021	2.8
265.19449	1.1
271.06076	6.8
275.17929	1.2
277.19565	1.2
279.17657	1.7
279.21115	2.7
281.19135	1.0
289.19562	1.0
291.21024	2.3
293.19217	1.5
293.22675	3.3
295.17123	1.9
295.20633	1.0
297.18533	2.6
298.93988	0.9
299.20081	1.7
305.22797	1.1
309.18372	1.3
311.19922	2.0
319.24194	6.8
320.25336	0.9
323.20187	1.9
331.24225	2.1
335.25919	4.1
337.21518	2.6
337.25391	2.8
357.25809	1.4
363.23285	2.1
371.05597	0.9
375.26816	3.2
397.29086	1.9
401.21783	1.2
415.29935	13.8
433.31021	100.0
434.31491	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	433.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63308	0.9
51.02375	1.2
53.03939	1.8
53.08392	0.8
55.01868	1.5
55.05512	5.1
55.39014	1.0
56.05896	0.9
57.07078	2.1
64.17689	1.0
65.03944	2.0
67.05507	12.8
69.03415	1.4
69.07069	7.6
69.99175	3.7
71.04981	2.0
79.05498	9.6
81.07055	17.5
83.04979	7.9
83.08626	2.4
85.06560	1.4
90.19877	0.9
91.05472	13.1
93.06486	1.4
93.07046	19.4
95.04972	40.2
95.08611	24.3
97.06528	3.9
101.05971	1.5
103.05457	1.2
105.07040	19.5
107.08596	22.1
109.06510	5.2
109.10155	20.6
111.08075	1.5
117.07019	4.4
119.07703	1.4
119.08581	28.7
121.06521	4.2
121.10136	14.7
123.08062	2.4
123.11732	6.9
125.05989	1.4
125.09531	1.0
128.06183	2.7
129.06993	3.9
130.07790	1.0
131.08580	12.6
133.06425	1.1
133.10135	20.8
135.08060	3.4
135.11697	10.3
137.05942	1.3
137.13263	3.2
141.06953	1.5
142.07808	4.0
143.08562	13.0
144.09334	1.6
145.06471	1.2
145.10117	18.7
146.10799	1.0
147.08054	1.9
147.11694	15.8
149.09631	2.1
149.13287	2.2
153.09126	1.6
155.08580	6.7
156.09326	3.6
157.10139	13.3
159.08022	1.7
159.11697	15.8
161.09668	6.2
161.13252	7.7
163.11095	1.1
163.14775	1.3
165.07062	2.1
167.08543	2.4
168.09215	1.5
169.10159	9.8
170.10858	2.0
171.11697	12.9
173.09639	3.0
173.13271	13.1
175.11224	2.5
175.14828	8.0
177.16415	2.4
179.08516	1.4
180.09369	1.6
181.10141	5.9
182.10919	2.6
183.11684	8.7
184.12209	1.0
185.09634	2.0
185.13271	10.7
187.11198	2.4
187.14803	12.9
189.12630	1.5
189.16420	5.8
193.10187	3.8
194.10905	1.5
195.11610	6.8
196.12418	1.5
197.13248	8.7
199.11232	2.8
199.14803	8.7
201.12721	1.3
201.16406	10.4
203.08611	1.6
203.14262	1.1
206.11031	1.0
207.11647	4.6
208.12300	1.3
209.13235	8.0
211.11154	2.2
211.14778	4.8
213.12785	3.1
213.16414	4.3
215.14346	3.0
215.17876	1.6
219.11656	2.3
221.13287	3.4
223.14760	6.4
225.13011	1.2
225.16339	4.7
227.14378	2.5
227.18059	2.6
229.19604	1.5
232.12256	1.2
233.13272	1.9
235.14885	4.5
237.16402	4.5
237.59920	1.0
238.16969	1.1
239.14304	1.8
239.18007	2.8
241.15942	1.6
241.19417	1.4
243.13931	1.4
247.14833	2.3
247.17024	1.1
249.16422	4.0
251.18004	3.6
253.19490	2.4
255.17438	1.3
257.15305	1.8
259.17078	1.6
261.16431	1.5
263.17981	3.7
265.16025	1.0
265.19482	1.9
267.17670	1.3
271.06113	1.4
275.17731	1.4
277.19501	2.9
279.17554	2.1
279.21112	3.7
289.19629	1.6
291.20984	1.5
293.22620	3.1
295.17004	1.9
295.24185	1.6
297.18631	5.4
305.19165	1.6
305.22495	1.7
307.20578	1.2
309.18729	1.7
317.22687	1.8
319.24176	8.3
325.21655	2.3
331.24203	2.5
333.25903	1.7
337.21667	3.5
337.25464	3.3
349.21738	2.6
359.23483	1.3
363.23163	1.9
373.25598	1.0
375.26788	3.3
385.63596	1.2
387.30508	1.4
390.25104	1.1
397.29333	1.2
415.30127	11.4
433.31049	100.0
434.19434	1.8
434.31519	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	433.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	22.5
59.05001	66.5
67.05493	10.8
69.07082	7.3
71.53396	8.1
71.53795	9.2
79.05508	11.9
81.07056	20.9
85.06538	100.0
91.05471	47.4
93.07044	26.9
95.04960	22.7
95.08595	30.3
105.07047	39.9
107.08589	27.2
109.06573	6.5
109.10121	14.1
111.08081	17.2
117.07019	18.8
119.08579	58.1
121.10141	24.3
123.08057	10.7
125.09629	24.0
131.08563	19.3
133.10146	20.7
135.11685	9.9
137.09636	17.9
142.07774	13.4
143.08569	21.6
145.10104	26.3
147.08012	8.7
147.11726	7.7
149.09575	8.7
151.11183	32.6
155.08540	8.4
156.09320	9.8
157.10133	27.2
159.11705	16.0
163.11159	7.7
168.09312	6.0
171.11667	18.8
173.13335	10.7
175.11247	7.0
183.11646	12.2
185.13280	6.2
193.10094	5.8
195.11667	9.1
197.13239	8.0
203.14278	10.2
207.11690	11.6
209.13255	13.9
211.14818	7.2
215.14270	8.5
235.15028	7.8
267.17694	7.7
271.06207	8.5
295.20306	7.3
433.30988	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	433.3099
Annotation	beta-Citraurin
Peak:m/z	Relative Intensity
53.03936	1.6
55.01870	1.4
55.05507	7.6
57.03428	0.9
57.07061	1.5
65.03935	2.1
65.06025	1.0
67.05505	13.7
68.60268	0.9
69.07060	7.2
71.04966	3.4
71.53873	1.8
72.29889	0.9
75.48940	0.9
75.67822	0.9
78.74156	1.1
79.05501	9.5
81.03409	1.2
81.06594	1.1
81.07052	16.6
83.04971	11.0
83.08602	2.2
85.06537	1.4
91.05475	11.7
93.07045	16.9
95.04963	42.2
95.08598	22.5
97.06510	3.9
97.10181	1.0
101.05991	1.2
105.07030	19.8
106.07283	1.0
106.37074	0.9
107.04932	1.7
107.08581	19.6
109.06516	5.9
109.10151	21.3
111.08070	2.3
115.05400	1.5
117.06989	6.2
119.08578	25.9
121.06488	3.5
121.10133	14.7
123.08027	2.7
123.11697	7.4
125.05959	2.9
128.06224	2.9
129.06956	4.6
130.07736	1.2
131.08542	10.9
133.06470	2.2
133.10133	17.1
135.08031	3.4
135.11671	9.0
137.05975	1.3
137.13255	3.3
141.06981	1.5
142.07782	2.1
143.08556	11.3
144.09299	1.7
145.06485	2.2
145.10129	18.0
147.08099	2.2
147.11691	12.8
149.09558	2.0
149.13228	4.1
153.09059	1.1
154.07776	1.6
155.08572	7.8
156.09299	1.7
157.10109	14.2
158.10941	1.2
159.08031	2.1
159.11678	13.7
161.09596	6.5
161.13252	6.0
163.11151	1.5
163.14847	1.9
165.07083	1.6
166.07755	1.3
167.08531	2.8
168.09261	2.2
169.10104	9.7
170.10907	1.5
171.11665	11.0
173.09589	2.9
173.13260	13.1
175.11151	3.3
175.14833	6.3
177.16397	1.2
179.08549	2.5
180.09459	1.5
181.10103	3.9
182.10880	1.7
183.11737	8.9
184.12367	1.4
185.09763	1.3
185.13251	10.6
187.11217	1.5
187.14818	11.0
189.12822	2.1
189.16382	4.1
193.10118	2.2
194.10904	1.6
195.11685	6.8
196.12494	1.6
197.13235	8.4
199.11168	2.8
199.14886	8.2
201.12746	1.8
201.16396	8.9
203.14383	1.6
203.17984	1.1
205.10081	1.2
207.11629	4.0
208.12459	1.3
209.13132	5.3
211.11293	1.5
211.14821	6.3
213.12775	2.2
213.16255	5.1
215.14391	1.4
215.17862	2.2
221.13322	2.9
223.14806	4.9
224.15419	1.0
225.12883	1.1
225.16414	4.1
227.14296	2.9
227.17944	2.9
229.15871	2.1
229.19492	1.5
231.11717	1.1
233.13173	1.9
235.14737	5.1
237.16287	3.6
239.14256	2.1
239.17963	3.9
241.15936	1.4
241.19414	2.7
247.14851	1.5
249.16402	4.1
251.18024	3.0
253.15910	1.2
253.19501	1.9
255.21358	1.0
259.14725	1.3
261.16226	2.1
262.17172	1.1
263.17981	2.6
265.19489	1.9
269.19095	1.4
271.05908	2.3
271.16864	1.7
271.20792	1.3
275.17819	1.2
277.16214	1.0
277.19427	2.2
279.17670	2.4
279.21167	3.0
281.19098	1.4
287.17862	1.2
289.19424	1.8
291.21213	1.7
293.19376	1.3
293.22632	2.9
294.62924	1.0
295.16953	1.7
295.24197	3.0
297.18527	3.7
299.20071	1.2
301.19437	1.6
303.21103	1.3
307.20621	1.6
309.22092	1.1
309.25842	1.2
311.20096	1.2
317.22629	2.5
319.24164	7.5
323.20047	1.7
325.21588	2.2
331.24469	1.6
332.97205	1.0
335.23657	1.2
337.21411	2.9
337.25342	2.5
339.23557	1.1
349.21719	1.9
357.25656	1.2
363.23138	1.6
375.26907	2.3
387.30585	1.5
391.26190	1.2
405.31570	1.5
415.29968	12.6
418.28720	1.8
433.31024	100.0
434.31332	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92842	7.3
55.05500	28.1
59.05005	60.8
67.05503	11.0
69.07069	8.5
71.17809	16.0
78.38487	5.9
79.05476	10.0
79.09531	6.4
81.07050	17.6
85.06545	100.0
86.49953	6.0
91.05464	28.4
93.07030	24.6
95.04915	11.5
95.08598	22.1
98.54647	6.7
105.07034	45.6
107.08574	18.9
109.10160	12.2
111.08057	9.2
114.56400	6.7
117.07013	15.8
119.08601	55.4
121.09290	6.0
121.10105	31.9
123.08134	10.0
125.09637	18.1
131.08539	17.9
133.10117	12.2
137.09604	27.4
142.07898	6.8
143.08571	15.4
145.10106	30.4
147.11655	9.1
151.11131	31.4
153.06891	7.2
157.10097	27.1
163.11134	11.8
168.09293	6.4
169.10110	9.5
171.11694	20.0
173.13232	13.3
178.19379	7.1
179.08485	8.3
183.11696	13.3
185.13303	8.4
193.10101	6.8
200.93439	6.8
209.13249	10.4
212.60452	6.7
223.14856	10.5
271.05881	9.7
284.88412	8.1
374.52469	7.1
412.75684	6.7
423.22769	7.6
433.23956	20.1
433.31003	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3101
Annotation	beta-Citraurin
Peak:m/z	Relative Intensity
52.32500	1.0
53.03938	2.7
55.01876	1.1
55.05516	5.9
57.07069	2.4
64.14765	0.9
65.03931	1.7
67.05511	12.2
69.03436	2.1
69.07067	7.7
69.86901	2.5
69.87307	3.6
71.04996	2.1
75.61710	0.9
79.05492	9.6
79.46141	0.8
81.03423	1.3
81.07063	19.5
83.04983	12.2
83.08619	1.2
85.06541	1.5
91.05483	10.8
93.07051	15.1
95.04971	42.1
95.08608	26.6
97.06545	3.1
99.08122	1.1
101.05984	2.4
105.07034	21.1
107.08601	19.7
108.08936	1.1
109.06528	7.1
109.10157	22.4
111.08092	2.0
117.07008	5.6
119.08582	23.7
121.06498	3.6
121.10143	14.4
121.10950	1.6
123.08067	2.7
123.11703	6.4
125.05987	3.2
127.07576	1.3
128.06242	3.0
129.06989	5.0
130.07817	1.6
131.08563	14.5
133.06532	1.3
133.10127	21.7
135.08081	3.7
135.11691	9.2
137.09633	1.3
137.13260	3.9
139.07607	1.7
141.06999	3.4
142.07774	2.8
143.08549	13.3
144.09213	1.1
145.06491	1.6
145.10124	21.8
147.08052	2.4
147.11690	14.1
149.09612	2.0
149.13235	3.9
151.11154	1.0
153.08994	1.0
155.08553	8.1
156.09357	2.3
157.08830	1.4
157.10120	14.3
158.10892	2.0
159.08080	2.1
159.11702	17.0
161.09625	6.9
161.13263	9.3
163.11176	1.5
163.14839	1.9
163.37885	1.0
167.05251	1.0
167.08591	3.3
168.09332	1.6
169.10141	7.5
170.10918	2.0
171.11688	11.5
173.09662	2.4
173.13258	14.3
175.11208	2.2
175.14830	9.8
177.16414	1.7
179.08545	1.5
181.10162	5.2
182.10918	1.5
183.11702	10.5
184.12518	2.0
185.09633	2.3
185.13246	10.3
187.11166	3.0
187.14833	12.7
189.12772	2.1
189.16438	4.5
193.10126	2.7
194.10976	1.6
195.11687	7.8
197.13235	6.8
199.11188	2.9
199.14828	10.9
199.56679	1.0
201.12711	3.7
201.16402	9.0
203.31635	1.2
205.10129	1.7
205.15901	1.6
207.11734	5.1
209.13252	6.8
210.14052	1.9
211.14790	6.4
213.12741	3.5
213.16341	4.9
215.14366	2.7
215.17937	3.1
219.11722	2.1
220.12463	1.3
221.13271	4.0
223.14758	7.7
225.12737	1.6
225.16380	5.0
227.14325	3.3
227.17982	3.3
229.15904	1.9
229.19595	1.5
233.13274	2.0
234.14296	1.3
235.14922	4.8
237.12766	1.6
237.16289	4.6
239.14268	1.3
239.17876	3.6
241.15897	2.0
241.19479	2.4
245.15428	2.9
247.14761	1.3
249.16406	3.3
251.17998	3.8
253.16078	1.2
253.19458	2.7
255.21173	2.0
257.15460	1.9
259.17007	1.9
261.16431	2.4
263.18011	3.4
265.16266	1.1
265.19373	2.4
267.17508	1.6
267.21066	2.1
271.17001	1.4
277.16223	1.4
277.19608	3.0
279.17471	2.1
279.20844	2.3
287.17776	1.3
289.19199	1.4
291.21036	1.7
293.19244	1.2
293.22647	4.3
295.16907	2.8
295.24225	1.9
297.18488	7.6
305.22617	1.9
311.20056	2.4
317.22516	1.0
319.24158	6.7
323.20074	2.6
325.21655	2.8
331.24243	1.4
333.25864	1.6
337.21616	3.4
337.25244	3.2
339.54968	1.4
349.21561	2.2
363.23306	2.2
375.26782	2.8
377.24869	1.8
397.29239	1.4
405.31470	1.4
415.29968	12.6
418.28937	1.1
433.31049	100.0
434.31299	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	433.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.4
57.07085	1.8
67.05505	17.3
69.03418	2.4
69.07076	8.3
69.96413	6.0
71.04975	2.4
79.05490	10.4
81.03446	2.1
81.07053	19.2
83.04983	13.4
83.08622	2.9
84.27663	1.5
85.06548	2.4
85.80718	1.5
91.05477	13.0
93.07038	19.8
95.04967	53.1
95.08601	27.0
97.06524	3.7
101.06034	1.8
105.07034	21.1
107.08600	21.6
109.06516	6.2
109.10154	23.1
111.08090	1.9
111.11737	1.7
113.00041	2.1
117.07018	7.0
117.29198	1.4
119.08593	26.6
121.06509	2.8
121.10148	16.9
123.08095	3.3
123.11710	6.6
125.05933	2.4
127.07510	2.2
128.06244	2.4
129.07002	5.7
131.08549	14.3
133.06508	2.0
133.10133	21.0
135.08047	4.3
135.11700	10.4
137.13258	3.7
139.07559	1.8
141.05176	1.3
141.07036	2.7
142.07806	3.5
143.08560	11.9
145.06491	2.3
145.10115	21.8
147.08067	3.2
147.11717	14.1
149.09785	1.6
149.13254	4.8
155.08549	8.5
156.09349	2.6
156.20616	1.3
157.10121	12.3
158.10866	2.0
159.08081	2.1
159.11676	17.2
161.09615	8.9
161.13261	7.3
163.11182	1.7
167.08606	4.3
168.09386	2.2
169.02602	2.4
169.10141	8.4
171.11664	11.1
173.09631	1.8
173.13266	14.5
175.11226	2.3
175.14792	9.6
177.16385	2.1
179.08569	1.9
180.09319	2.4
181.10121	4.5
182.10927	1.7
183.11717	10.9
185.09589	1.9
185.13237	9.3
187.11122	2.8
187.14857	12.2
189.12721	2.7
189.16287	3.2
193.10124	3.0
195.11671	4.7
197.13235	10.4
199.11218	2.7
199.14845	9.6
201.12749	3.8
201.16331	10.2
207.11700	4.4
209.13310	6.3
211.14760	7.8
213.12680	1.8
213.16377	6.2
215.14314	3.0
215.17953	3.3
219.11821	2.4
221.13280	5.4
222.14130	1.8
223.14828	4.5
225.16423	4.2
227.14444	2.8
227.17984	2.7
229.19554	2.3
231.13823	2.2
233.15469	2.0
235.14822	2.7
236.15724	2.0
237.16194	2.6
239.18005	4.6
241.15924	2.8
241.19305	1.9
243.13742	2.5
247.14772	1.4
249.16406	4.3
251.17998	4.2
253.19534	3.7
261.16281	1.7
263.17966	3.0
265.19589	2.9
271.06055	7.9
277.19476	2.2
279.17511	2.8
279.20844	3.0
287.17920	1.8
291.21011	2.3
293.22699	3.8
295.17041	1.8
295.24051	2.8
297.18539	4.6
317.22699	2.7
319.20639	3.2
319.24234	10.5
323.19901	1.7
325.21793	2.0
335.20148	1.6
337.21564	3.9
337.25275	3.3
349.21823	2.1
373.24960	1.7
375.26553	3.1
397.29059	1.8
412.33994	1.8
415.29846	16.3
433.31030	100.0
434.31458	6.7
451.52438	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	433.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15928	0.9
53.03952	1.5
55.01867	1.5
55.05505	4.1
65.03925	1.1
67.05496	3.3
69.03414	3.2
69.07063	2.1
69.84702	3.6
70.06601	1.3
77.03960	0.9
78.47272	0.8
79.05492	2.8
81.03421	2.9
81.07056	5.3
83.04987	3.0
84.04490	0.9
84.08157	1.0
85.02899	1.4
85.06545	1.1
87.44888	0.9
91.05477	5.2
93.07033	3.2
95.04965	3.4
95.08601	4.0
97.02924	1.2
97.06512	1.4
97.10145	1.5
102.91917	0.8
105.03401	2.1
105.07018	4.6
107.04962	1.9
107.08589	3.6
109.02896	2.1
109.06522	1.9
109.10152	4.6
115.05420	1.4
117.07019	2.4
118.06552	1.9
119.04966	1.7
119.08591	2.5
120.04459	3.2
121.02822	1.6
121.06503	1.5
121.10115	2.0
123.04382	1.4
123.11719	1.3
125.05936	0.9
125.09651	0.9
127.03937	1.2
129.06996	2.0
130.06540	10.4
131.04926	1.3
131.08585	1.2
132.04431	5.7
133.02849	2.6
133.10152	2.4
135.04384	1.6
135.08136	0.8
135.11696	1.9
142.07761	1.0
143.08577	1.4
144.08075	1.3
145.06464	1.6
145.10109	2.2
146.06006	3.9
147.04399	2.8
147.11618	1.3
149.02393	1.2
151.03908	2.2
153.01884	1.7
156.08017	1.0
157.08957	1.1
157.10123	1.8
158.06036	29.9
158.07306	1.4
158.09610	1.3
159.06796	1.3
159.11696	1.8
161.06042	1.2
161.09688	1.0
161.13257	1.3
163.03763	1.2
163.11166	1.0
167.03319	1.0
167.07225	5.1
167.08524	1.0
169.10210	1.2
170.06006	1.3
172.07553	1.7
172.11215	3.7
175.03960	1.3
181.04747	0.9
182.09653	11.2
183.06754	2.5
184.07671	1.0
198.09236	4.6
200.10712	100.0
201.10989	1.5
202.08727	1.7
213.16420	1.3
229.08531	1.4
238.12257	3.1
250.08566	2.9
253.12134	1.6
258.07663	1.9
271.06018	38.5
271.13287	3.4
272.06287	1.4
295.10785	1.8
313.06979	1.9
333.12262	4.9
341.21127	2.2
359.22104	1.5
397.19174	1.8
415.20682	1.3
433.17700	1.0
433.25668	2.4
433.31097	2.8
434.10855	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	433.1859
Annotation	Effuside IV
Peak:m/z	Relative Intensity
53.03941	5.9
55.01866	3.4
55.05515	6.1
57.03428	3.2
57.17134	1.1
57.49823	1.2
59.42234	1.1
61.02933	2.1
65.03940	1.9
67.01868	1.4
67.05503	16.5
68.99791	1.5
69.03434	17.1
69.07059	4.9
70.06597	3.1
71.04980	4.4
73.02898	1.4
77.03915	6.4
79.05491	14.1
81.03418	45.3
81.07064	15.5
83.04965	7.1
83.08592	2.4
84.08137	1.7
85.02502	1.4
85.02903	12.9
85.06538	2.7
87.04463	1.5
91.05470	18.0
93.07041	10.7
95.04961	8.8
95.08609	53.5
97.02877	7.2
97.06516	3.5
99.04445	6.5
103.05441	1.9
105.03387	3.9
105.07039	8.3
107.04966	16.7
107.08594	12.4
109.02882	18.1
109.06520	5.0
109.10149	25.1
111.04463	1.2
111.08092	2.0
115.03934	1.4
115.05439	2.2
117.07023	3.9
119.04935	6.3
119.08578	5.0
121.02792	2.2
121.06484	6.0
121.10123	7.9
123.04407	1.8
123.08054	3.1
123.11723	2.3
127.03930	9.8
128.06256	2.0
129.07005	3.7
131.04958	4.0
131.08554	5.4
133.02855	35.7
133.03819	2.5
133.06496	6.6
133.10139	2.7
134.05997	9.9
135.04414	100.0
135.08043	3.8
136.04787	1.3
137.05989	2.9
137.09619	3.2
141.06985	2.3
142.07716	1.4
143.08533	2.7
144.05698	3.2
145.02809	2.7
145.04955	1.1
145.05318	1.2
145.06467	10.3
145.10104	3.5
147.04430	12.6
147.08038	10.7
149.02374	3.2
149.05972	15.3
151.03899	25.6
151.07529	2.2
153.01845	4.2
155.08603	3.1
157.06493	3.6
157.10153	1.5
158.07256	2.4
159.04439	6.6
159.08075	10.4
159.11699	1.6
161.05949	4.8
161.09604	3.3
163.03929	3.2
163.07536	4.7
165.05424	2.4
167.03391	2.7
167.07095	1.8
167.10745	1.8
169.06577	1.6
169.10104	2.2
171.08023	4.1
173.05956	11.3
173.09634	6.8
173.57213	1.1
175.03889	5.8
175.07576	6.3
176.04852	1.2
177.05450	1.9
178.07774	1.2
181.05005	2.2
181.06499	2.4
183.08044	4.5
185.06020	2.4
185.09610	3.5
187.03929	2.0
187.07556	11.5
187.11224	1.7
189.05409	3.4
189.09116	4.7
190.06328	1.1
191.07051	3.3
195.08113	2.0
196.08853	2.0
197.09676	2.3
199.07573	1.5
201.09120	13.2
203.03383	3.5
203.07045	2.5
205.04955	4.8
207.06531	2.9
210.06718	1.1
210.10286	1.9
211.07555	2.8
213.09178	7.5
215.07069	4.0
215.14388	4.1
217.08719	1.6
218.08165	1.3
225.12784	3.9
229.08778	6.9
243.13815	35.8
253.12268	9.1
257.06967	2.7
271.06027	96.0
271.13257	57.5
272.06360	4.1
272.09079	15.3
272.13727	2.2
283.05826	1.6
289.14365	15.7
313.06888	2.1
379.15414	3.7
397.16580	2.1
403.13770	1.5
415.12061	1.2
415.17450	33.0
433.18753	6.2
434.14169	3.5
448.51996	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	433.1855
Annotation	Effuside IV
Peak:m/z	Relative Intensity
50.20250	1.1
50.33284	1.0
50.47068	1.1
51.57052	1.0
53.03939	6.4
55.01871	3.7
55.05504	4.6
57.03417	2.5
61.02930	1.5
62.27864	1.1
65.03931	1.4
67.05505	13.6
69.03426	17.9
69.07061	3.8
69.42557	9.0
70.06593	2.0
71.04973	3.8
73.02898	2.0
74.57420	1.1
77.03911	5.5
79.05490	15.0
81.03416	34.8
81.07052	11.6
83.04983	5.6
83.08628	2.2
84.04490	2.0
85.02898	14.1
85.06520	1.7
87.00842	1.7
91.05479	16.3
92.69147	1.2
93.07045	11.8
95.04965	8.6
95.08607	42.1
97.02888	6.8
97.06563	2.9
97.10190	2.2
99.04443	6.4
103.05472	2.8
105.03388	3.8
105.07025	8.2
106.06524	1.5
107.04948	13.8
107.08575	8.8
109.02862	13.9
109.06518	6.8
109.10153	23.8
111.04392	1.3
111.08046	1.4
115.03886	1.4
115.05456	3.0
117.07026	4.6
119.04922	7.5
119.08562	5.6
121.02874	2.8
121.06533	6.0
121.10133	7.5
123.04399	1.9
123.08089	2.7
123.11723	1.5
127.03925	7.1
128.06224	1.6
129.06979	1.6
131.04919	2.7
131.08542	5.9
132.05743	1.1
133.02852	22.6
133.06490	7.1
133.10114	3.7
134.03709	1.8
134.06017	16.7
135.04410	77.3
135.08051	3.6
135.11678	1.3
137.06013	4.0
137.09573	3.0
141.06992	1.4
142.07809	1.7
143.08565	2.8
144.05653	2.3
145.02797	1.4
145.04996	1.8
145.06493	9.3
145.10129	2.4
147.04414	14.0
147.08046	10.6
149.02365	3.4
149.05984	13.9
149.09598	1.4
151.03896	21.9
151.07532	1.3
153.01851	4.8
153.06995	1.3
155.08551	3.4
157.06490	3.3
157.10165	2.4
159.04454	5.8
159.08040	12.3
161.05974	5.0
161.09599	4.9
163.03867	7.6
163.07562	3.6
165.05524	1.9
167.03386	2.7
169.06367	1.6
169.10143	1.4
171.08069	4.3
173.04715	1.6
173.05957	9.5
173.09584	6.0
175.03888	8.3
175.07520	5.7
177.05365	1.5
179.08571	1.9
181.05034	2.0
181.06511	2.2
181.10277	1.6
183.08083	3.3
183.11577	1.4
185.05969	2.7
185.09642	2.8
187.03920	2.5
187.07530	12.2
189.05406	2.5
189.09143	3.2
191.06927	2.6
195.08026	2.3
197.09557	1.9
197.13184	1.7
201.05481	1.5
201.09087	8.1
203.03439	5.5
205.04968	6.7
207.06509	4.9
209.09760	1.3
210.10588	1.6
211.07533	4.3
213.09142	5.6
215.07036	2.7
215.14423	2.2
217.04903	1.7
217.08524	1.8
218.08150	4.2
225.12793	4.3
227.10637	1.8
229.05263	1.6
229.08900	9.0
229.12077	2.0
243.10071	1.9
243.13799	26.7
243.75723	1.2
253.12234	6.5
257.06680	5.5
271.06006	100.0
271.13232	45.0
272.06351	5.1
272.09146	43.6
272.13620	2.4
278.00748	1.1
283.05945	2.5
289.14249	12.9
314.09967	1.5
379.14948	1.3
397.16446	1.4
415.17593	26.9
433.19040	5.6
434.14349	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	433.1859
Annotation	Effuside IV
Peak:m/z	Relative Intensity
51.02388	1.0
53.03947	6.1
53.65767	1.0
55.01866	1.2
55.05506	5.4
55.84386	1.1
57.03419	2.9
65.03933	1.9
67.05505	14.0
69.03432	13.7
69.07060	2.6
69.40440	1.0
70.17255	1.6
70.17654	2.5
71.01344	1.0
71.04985	2.1
73.02920	1.3
77.03921	5.5
79.05489	12.1
81.03420	36.3
81.07068	10.3
83.04971	4.6
83.08604	1.9
84.04486	1.9
85.02914	11.0
85.06532	1.5
85.97794	1.0
87.55479	1.2
91.05471	12.8
93.07045	9.2
95.04971	9.1
95.08609	55.8
97.02896	4.8
99.04447	3.3
103.05467	2.4
105.03373	3.2
105.07032	8.9
107.04964	15.4
107.08575	8.6
109.02229	1.5
109.02893	14.8
109.06514	4.0
109.10156	31.5
111.04432	1.9
115.05469	1.9
116.47774	1.0
117.07005	3.5
119.04962	6.4
119.08569	4.5
121.02822	1.6
121.06516	5.8
121.10133	5.5
123.04424	1.6
123.08038	1.1
127.03886	5.0
128.06100	1.1
131.04955	2.9
131.08554	4.5
133.02856	32.4
133.06485	7.8
133.10085	1.7
134.03656	1.6
135.04417	100.0
135.08037	1.9
135.11749	1.1
136.04750	1.6
137.06017	1.5
137.09615	2.8
141.07008	1.9
143.08536	1.3
144.05688	2.6
145.02846	2.4
145.06502	8.3
145.10155	2.2
147.04420	13.9
147.08043	12.8
149.02339	2.7
149.05978	14.4
149.09566	1.4
151.03905	27.6
153.01779	2.6
153.07008	1.1
154.07758	1.1
155.08539	3.4
157.06523	2.1
157.10164	1.5
158.07230	1.2
159.04408	4.8
159.08076	9.3
161.05989	3.6
161.09686	2.8
163.03958	2.6
163.07541	4.5
165.05438	1.5
166.26080	1.1
166.95979	1.1
167.03355	1.8
169.06458	1.5
171.08107	3.8
173.05989	8.6
173.09628	4.1
175.03906	4.4
175.07487	5.5
177.05412	1.6
181.06425	2.2
183.07999	4.4
185.09563	2.0
187.03937	1.2
187.07553	11.9
189.05455	2.6
189.09105	3.5
191.07001	2.2
192.09308	1.2
193.10173	1.2
195.08061	1.6
196.08792	1.3
197.05904	1.1
197.09618	1.5
201.09100	6.5
203.06868	1.6
205.04915	1.7
207.06517	6.6
207.11676	3.2
209.66368	1.1
210.10431	3.0
211.07533	2.6
211.11137	1.6
213.09056	7.2
215.14282	3.1
217.04778	1.3
217.08536	1.4
218.58038	1.2
225.12753	6.1
227.10570	2.4
229.08586	2.9
231.10213	1.4
235.11270	1.5
243.13821	41.9
253.12233	13.7
258.51221	1.2
271.06021	56.7
271.13281	48.9
272.06250	3.2
272.13669	1.6
283.05936	3.1
289.14362	16.8
313.07159	1.5
323.44196	1.2
342.09628	1.1
367.07703	1.4
397.16669	1.7
412.19913	1.2
415.17529	40.9
433.11426	1.1
433.18393	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
53.04156	0.3
55.01882	0.3
55.05517	0.3
56.64705	0.3
57.03419	1.1
59.04982	0.4
61.02920	0.7
65.03942	0.3
67.05491	1.0
68.99782	0.4
69.03432	3.5
69.07054	0.6
69.43510	0.9
69.43928	1.5
70.06583	1.8
71.04985	0.6
72.08144	0.7
73.02912	0.3
75.04464	0.5
79.05487	2.6
81.03419	2.6
81.07041	1.1
82.82771	0.3
83.04980	1.1
84.04501	1.2
84.08136	1.4
85.02906	5.9
85.06524	0.4
85.40612	0.3
86.09702	1.9
91.05473	0.9
93.07039	0.8
95.04965	1.9
95.08598	0.8
97.02895	1.8
97.06518	0.6
99.04449	0.9
105.03391	29.0
106.03733	0.7
107.08584	0.6
109.02867	2.8
109.06519	0.6
109.10129	0.4
110.07189	0.4
113.06000	1.2
119.04972	1.7
119.08533	0.5
120.08092	0.4
121.02882	0.9
121.06508	0.3
121.10146	0.6
121.16391	0.3
121.50889	0.3
123.03574	0.5
123.04431	4.6
123.08067	0.5
127.03898	2.1
127.04700	0.4
131.07050	1.7
131.08548	0.4
133.02921	0.4
135.04454	0.5
137.09604	0.5
141.06978	0.6
145.02852	0.7
145.04959	0.5
149.08116	0.9
151.03903	0.4
153.01833	5.0
153.05327	0.6
161.06023	0.5
163.03938	0.7
167.09149	0.7
167.10660	0.4
171.02885	0.8
185.08054	0.7
185.11751	0.5
201.09041	0.5
225.05402	0.5
231.06552	0.4
231.81749	0.3
249.07611	2.0
267.08640	6.2
271.06006	100.0
272.06323	5.6
272.09012	0.5
272.12103	0.3
283.05841	0.8
289.14633	0.4
313.07056	0.5
371.11157	0.3
380.67435	0.4
415.10184	0.4
433.11285	3.4
433.16443	0.6
433.25873	0.3
434.12167	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	433.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89670	1.1
55.01863	3.7
57.03430	10.3
61.02938	1.4
65.03955	1.3
67.05505	3.0
68.99799	3.8
69.03428	30.5
69.07062	2.3
69.78666	3.9
69.79073	2.4
70.06599	1.2
71.04999	19.9
79.05499	4.8
81.03403	9.2
81.07077	2.5
83.04978	2.1
84.04504	1.3
85.02905	38.6
85.07650	2.6
88.55853	1.3
91.05475	3.3
93.07057	3.6
95.04970	6.7
95.08592	3.8
97.02890	3.2
98.20740	1.6
99.04466	3.4
105.07052	3.9
107.04255	1.9
107.04948	11.9
107.08588	2.8
109.02865	6.8
109.06525	2.1
109.10114	1.9
111.00794	2.0
111.04456	7.1
115.01979	1.0
115.05534	1.4
119.04932	1.7
119.08573	2.2
121.02861	3.9
121.06506	7.1
121.10189	1.3
123.04426	4.5
125.02397	2.4
125.05990	4.1
125.09579	1.4
127.03896	2.1
129.05475	5.3
130.48267	1.5
131.04962	2.5
131.08563	2.0
133.02835	2.6
133.06480	7.3
135.04414	32.7
135.05424	2.4
135.08066	3.7
136.06239	1.3
137.09726	1.3
141.01698	1.5
142.69112	1.3
145.02870	1.2
147.04413	4.9
149.02347	4.3
149.05984	4.1
151.03932	3.5
153.01820	25.6
153.02997	1.7
153.05347	1.7
154.02133	1.4
157.10236	1.4
158.86101	1.1
161.05980	23.9
163.03947	6.7
165.01831	28.0
165.03110	2.1
167.03430	3.6
167.07001	2.1
171.02917	4.3
171.04272	1.2
173.09474	1.2
175.03906	5.7
177.01830	9.8
177.05470	4.2
179.03421	4.6
181.04944	2.0
183.02896	14.8
187.07594	1.6
189.05583	2.6
191.03368	18.0
193.05022	2.8
195.02890	100.0
196.03268	1.4
201.05548	1.5
201.09003	1.5
203.03387	19.7
205.04881	1.4
207.02960	3.2
207.06728	2.7
209.04466	1.7
213.03918	3.0
216.36279	1.2
217.05002	10.6
219.02881	33.6
220.03178	1.5
221.04448	7.8
229.08607	3.1
235.06003	2.3
237.03995	4.5
245.04463	47.0
246.04770	2.3
253.12268	2.5
258.07593	1.7
263.05502	93.1
264.05850	3.9
271.06036	38.6
271.13321	9.2
272.06311	3.0
281.06540	10.3
287.09137	18.7
293.47443	1.2
299.09366	6.4
311.09088	7.6
329.10229	11.0
337.10721	1.3
353.10123	14.5
379.11807	13.1
397.12753	17.6
415.13599	5.4
433.14539	7.7
434.10913	3.2
448.18860	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01852	2.8
55.05504	1.6
57.03438	11.3
59.04983	1.2
61.02921	1.3
65.03915	1.1
67.05501	3.5
68.99805	2.9
69.03431	35.7
69.07072	1.5
69.59104	1.0
70.27308	1.0
70.27637	3.8
71.04995	22.2
75.04471	1.1
79.05493	5.6
79.61943	0.9
81.03419	8.6
81.07083	4.9
83.04984	2.4
83.08615	1.8
85.02906	41.4
85.06541	2.3
87.04465	1.5
87.85241	1.1
91.05499	3.2
93.07046	2.6
93.76241	0.9
95.04963	5.8
95.08593	3.2
97.02885	2.9
97.06555	2.8
99.04452	3.4
103.05460	2.5
105.03398	4.0
105.07025	3.3
107.04950	8.0
107.08613	2.6
107.49352	1.1
108.82446	1.2
109.02886	7.0
109.06507	2.2
109.10179	2.0
111.00790	2.0
111.04465	6.3
119.04931	4.2
119.08551	2.4
121.02864	4.3
121.06509	6.0
121.07262	1.1
123.04426	4.3
123.08024	1.2
125.02348	3.6
125.06008	3.1
127.03904	3.4
129.05498	5.4
131.04857	1.3
133.02907	2.3
133.06502	7.8
133.10109	1.1
135.04414	33.9
135.08038	3.4
137.05931	1.1
144.89027	1.2
145.06430	1.3
147.04419	5.0
148.07587	1.2
149.02345	4.4
149.05984	3.5
151.03908	2.4
153.01836	32.1
153.05392	2.3
157.10248	1.0
158.07321	1.3
159.11748	1.0
161.05986	23.9
163.03891	9.1
164.07024	1.8
165.01849	30.2
165.05542	1.4
165.06975	1.0
167.03438	3.4
167.07034	1.2
171.02888	5.2
171.04306	2.4
175.03879	4.8
177.01839	11.0
177.05492	5.2
179.03365	5.4
181.05006	1.8
182.04213	1.0
183.02887	13.0
187.07593	1.7
189.05461	2.7
191.03398	15.4
193.01347	1.5
193.05031	3.0
195.02898	92.5
196.03246	1.2
201.09181	2.9
203.03394	21.7
205.04961	2.3
207.02881	3.3
207.06570	1.5
213.03975	2.7
213.09126	1.7
217.04962	12.5
219.02888	33.7
221.04442	8.9
223.02527	1.8
224.06355	1.2
229.08643	3.8
235.05960	2.0
237.03918	3.7
245.04462	51.9
246.04691	1.1
253.12073	1.3
263.05515	97.5
264.05792	3.0
271.06030	100.0
271.13028	9.8
272.06348	3.9
272.09091	2.4
281.06537	9.4
287.05975	1.3
287.09155	25.8
289.15390	2.3
299.09406	6.7
311.09204	6.4
313.06931	1.5
329.10126	10.5
337.10568	1.2
344.12509	1.2
353.06052	1.4
353.10193	17.3
355.11774	1.2
379.11765	12.7
397.12842	16.3
415.13705	4.7
415.18567	1.8
433.14944	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	433.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.01862	4.6
55.05505	1.8
56.05025	0.9
56.27641	1.0
57.03423	3.6
61.02915	3.0
67.05506	4.6
68.99775	2.2
69.03427	15.1
69.07058	2.2
70.06583	9.8
71.01353	1.0
71.04985	4.0
71.53569	1.4
72.08152	5.0
73.02917	3.2
73.06580	0.9
74.06066	1.2
76.67291	0.9
77.00185	0.9
79.05486	5.2
81.03416	13.9
81.07063	8.2
82.04142	1.2
83.04986	2.4
84.04484	3.2
84.08137	3.3
85.02899	26.5
85.06563	1.6
86.09702	5.1
86.18168	1.0
87.00820	8.3
91.05490	4.5
93.07048	4.8
95.01319	3.4
95.04984	5.0
95.08613	4.7
97.02887	11.6
97.06488	2.0
99.04431	4.5
103.03971	1.1
105.01890	5.7
105.03371	2.4
105.07018	4.6
106.68367	1.0
107.04939	1.9
107.08556	4.8
109.02879	15.3
109.06505	3.1
109.10146	6.3
110.03687	9.4
110.07114	1.8
111.04434	3.4
111.08015	1.6
112.89873	1.0
117.07018	1.4
119.04921	1.6
119.08559	3.5
120.08113	2.1
121.02892	1.7
121.06500	2.3
121.10126	9.2
123.04408	2.6
123.08063	1.9
125.05990	32.7
125.09654	2.1
127.03915	18.9
128.07106	1.5
129.01836	1.9
130.06505	1.4
131.08572	1.6
133.02858	4.7
133.06412	1.3
135.04376	3.2
135.07973	1.0
137.06001	1.3
138.03076	1.2
138.09116	1.3
139.03912	6.5
139.11188	1.3
143.08563	2.0
145.04993	5.7
145.06483	1.7
145.10146	1.3
146.06117	1.1
147.04422	2.0
149.09605	3.5
151.03912	15.8
153.05470	53.5
154.06248	19.1
155.03413	1.5
155.08598	1.1
157.06416	1.4
157.10065	1.0
159.02881	3.4
161.05969	1.0
163.03888	1.9
165.05418	2.8
167.07057	4.2
167.08531	1.9
167.10622	2.6
169.04979	3.3
170.05733	10.0
171.07855	1.4
173.09547	1.4
177.05434	1.5
178.06259	2.2
179.03259	1.3
181.04929	2.8
184.07303	1.3
185.08092	100.0
185.09451	3.5
187.07542	1.2
188.07082	3.4
189.05464	1.6
194.05701	3.6
201.09172	3.2
201.12337	1.2
207.06546	1.3
209.08073	8.8
211.11049	1.3
213.09102	2.0
215.07007	3.4
221.07986	1.7
227.09166	4.0
229.08466	1.8
231.04958	2.8
236.06796	4.0
251.09138	2.8
253.12247	3.1
255.13782	1.9
271.05978	19.8
271.10321	1.8
271.13266	21.6
275.09079	3.2
283.05954	3.1
289.14246	1.7
293.10172	4.0
313.07022	4.5
318.22025	1.1
397.09116	2.5
403.13611	1.6
415.10315	3.1
415.17734	1.8
415.24393	1.4
433.11227	2.5
433.16574	1.7
433.25238	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.05495	1.6
56.05022	1.3
56.96518	0.8
57.03423	1.2
59.04983	0.9
60.04518	1.7
61.02872	0.6
67.05469	1.5
69.03430	5.4
69.07042	2.8
69.68043	3.6
70.06590	8.8
71.04958	2.2
72.08154	6.9
72.59828	0.7
72.93767	0.7
73.02898	1.1
74.06053	1.4
79.05470	1.7
81.03432	5.6
81.07030	1.8
81.40739	0.6
82.06570	0.8
83.04964	1.4
84.04494	3.8
84.08147	6.6
85.02898	7.2
85.06516	2.6
86.09702	19.0
87.00809	0.7
87.04440	1.6
87.05550	1.3
91.05444	2.4
93.07012	1.7
95.04930	2.4
95.06030	0.8
95.08571	0.9
97.02870	2.8
97.06493	1.4
98.06068	0.9
98.09682	1.3
98.21401	1.4
98.97550	0.7
99.04444	2.0
101.07082	1.2
105.03351	1.9
105.07014	1.6
107.04919	1.5
107.08565	1.7
109.02891	4.8
109.06490	1.7
109.10128	2.0
110.07141	2.5
111.04386	1.1
111.74613	0.6
112.08749	0.7
113.05953	2.0
117.05507	0.8
119.04913	0.9
119.08533	1.2
120.08075	1.9
121.02851	1.2
121.06480	0.7
121.10106	1.3
123.08071	1.6
125.05986	1.1
125.09629	1.4
127.03864	4.7
128.07088	1.0
129.10204	2.6
130.08614	0.9
133.02846	0.9
133.10098	1.1
135.04428	0.8
136.07535	1.1
137.05908	1.2
137.09581	2.9
138.09113	1.0
139.07547	0.9
139.11208	0.9
143.11784	0.9
144.95900	0.7
145.04953	0.9
147.04364	1.0
149.09586	1.0
151.03909	1.2
153.01761	1.6
153.05447	0.9
158.97368	1.2
160.00684	0.7
167.07042	1.0
167.10672	1.4
171.92082	0.7
172.98953	0.8
173.12923	1.2
176.98366	1.0
177.05453	0.9
185.04216	1.9
185.08141	1.2
185.11671	3.7
185.16502	1.5
187.10918	0.7
187.14372	3.1
201.12373	0.9
215.13963	3.4
216.98004	1.2
219.13313	1.5
227.05188	2.1
233.14973	0.8
234.98964	2.7
253.00227	0.7
253.17990	2.3
257.06363	2.4
271.05981	20.4
271.13760	2.0
283.05884	1.2
287.07471	9.7
287.10434	1.3
306.10809	0.8
313.06851	0.9
316.06049	0.8
321.07663	1.1
329.08588	3.2
329.11880	0.8
337.07147	0.8
347.09457	100.0
348.09833	2.3
349.07083	0.8
351.08029	0.7
389.14169	10.0
415.31357	1.0
433.13135	74.2
434.13458	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	433.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68636	0.0
53.03936	0.0
55.01868	0.0
55.05516	0.0
57.03422	0.0
65.03954	0.0
65.25430	0.0
67.01530	0.0
67.01861	0.5
67.05526	0.0
68.99446	0.1
68.99766	0.3
69.03418	0.1
69.07059	0.0
69.23952	0.3
70.06560	0.1
79.05457	0.0
81.03415	0.1
81.07058	0.0
85.02901	0.2
85.06525	0.0
86.09691	0.0
91.05470	0.4
93.07027	0.0
94.98644	0.0
95.04977	0.0
95.08580	0.1
97.02873	0.1
99.04436	0.0
105.07006	0.1
107.05017	0.0
107.08578	0.0
109.02856	0.1
109.06477	0.0
109.10139	0.0
111.00798	0.1
111.04464	0.0
114.57926	0.0
115.05424	0.0
119.04933	2.0
119.08553	0.0
121.02860	0.6
121.10099	0.0
123.11698	0.0
125.02336	0.0
125.06013	0.0
127.03887	0.1
129.01820	0.2
131.04932	0.1
131.27501	0.0
133.02840	0.1
135.04388	0.1
141.06926	0.1
143.03395	0.0
145.02818	0.6
145.06509	0.1
147.04359	0.1
147.08060	0.0
149.05933	0.0
151.03900	0.1
153.01816	5.1
154.02191	0.1
155.04843	0.0
157.06480	0.0
161.05960	0.1
163.03903	0.4
167.10721	0.1
167.14267	0.0
169.06454	0.1
171.02893	0.5
173.05948	0.1
175.03883	0.0
175.07544	0.0
183.07892	0.0
185.05876	0.1
185.11720	0.1
185.15315	0.1
187.03914	0.2
197.05988	0.1
201.05479	0.0
201.09021	0.2
203.07063	0.1
205.05014	0.0
211.03893	0.1
211.07491	0.0
215.07126	0.1
225.05438	0.3
229.04961	0.3
229.08632	0.1
243.06479	0.3
247.06143	0.1
253.04985	0.1
253.12381	0.0
254.05771	0.1
270.05151	0.1
271.05984	100.0
272.06311	3.3
313.06998	0.0
377.71259	0.0
415.17670	0.0
433.11206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.03944	0.3
55.01863	0.3
55.05497	0.5
57.03430	0.3
61.02918	0.2
65.03938	0.2
67.01846	0.3
67.05518	0.7
68.99792	0.4
69.03429	1.0
69.07055	0.5
70.06591	0.3
70.78475	0.4
71.04992	0.3
72.08151	0.1
77.03938	0.2
77.97083	0.1
79.05492	0.6
81.03422	1.2
81.07050	1.1
83.04972	0.4
83.08611	0.2
84.04499	0.3
84.08109	0.3
85.02910	0.9
85.06520	0.3
86.09687	0.2
87.04454	0.2
91.05475	1.1
93.03398	0.1
93.07032	0.6
95.04974	0.5
95.08614	0.9
97.02870	0.7
97.06545	0.3
98.21468	0.1
99.04462	0.4
99.60265	0.1
102.61850	0.1
103.05498	0.1
105.01858	0.1
105.03393	0.3
105.07027	0.6
107.04980	0.3
107.08576	0.5
109.02881	0.9
109.06510	0.4
109.10131	0.7
111.04419	0.2
115.03898	0.3
115.40930	0.1
117.07009	0.2
119.03516	0.2
119.04946	2.4
119.08560	0.4
121.02855	1.0
121.06522	0.4
121.10123	0.4
123.08009	0.2
123.11700	0.3
125.05983	0.2
125.09595	0.2
127.03915	0.4
129.01785	0.2
129.07014	0.1
130.06512	0.2
130.39594	0.1
131.04921	0.2
131.08585	0.4
133.02826	0.9
133.06534	0.2
133.10123	0.3
135.04417	0.6
135.08061	0.2
135.11624	0.1
137.05960	0.2
137.09598	0.1
141.07005	0.2
143.08553	0.2
145.02811	0.8
145.06494	0.2
145.10065	0.2
147.04366	1.1
147.08089	0.3
147.11642	0.2
149.02350	0.4
149.05963	0.2
149.09666	0.2
151.03900	0.7
151.07477	0.1
153.01822	4.3
154.02074	0.1
155.08540	0.2
157.06461	0.2
157.87648	0.1
159.02773	0.1
159.08008	0.3
159.11632	0.2
161.05937	0.4
162.05409	0.1
163.03903	1.2
163.07532	0.2
163.11130	0.2
165.06999	0.2
167.03397	0.5
167.07059	0.2
167.10672	0.3
167.14299	0.2
169.10147	0.1
171.02982	0.6
171.04233	0.2
171.08034	0.2
173.05952	0.1
173.09612	0.3
175.03894	0.8
175.07506	0.2
175.11084	0.2
179.10570	0.1
181.04987	0.3
183.08078	0.3
185.05959	0.2
185.09561	0.1
185.10283	0.1
185.11713	1.1
187.03900	0.6
187.07521	0.5
189.05510	0.3
189.09059	0.2
191.07022	0.2
195.08049	0.1
197.06006	0.1
197.09621	0.1
199.07613	0.1
201.09093	1.1
203.03445	0.3
203.06978	0.1
205.04976	0.5
206.06500	0.1
207.06540	0.6
211.07547	0.2
213.09210	0.2
215.07018	0.2
225.05490	0.3
225.12689	0.3
227.14383	0.1
229.05006	0.3
229.08620	0.9
243.06371	0.4
243.10092	0.2
243.13777	0.5
253.12271	0.5
271.05997	100.0
271.12869	3.1
272.06329	3.9
272.09195	1.9
283.06042	0.6
289.14215	0.4
313.07019	0.5
313.10596	0.2
332.81042	0.1
337.07092	0.2
345.02817	0.7
363.03802	0.3
397.09106	0.2
406.12314	0.1
415.17450	0.6
433.10941	0.2
433.18658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
59.03606	0.1
67.01855	0.4
68.99812	0.3
69.29661	0.5
69.30092	0.7
80.08383	0.1
81.03405	0.2
91.05467	0.5
95.04940	0.1
119.04942	2.1
121.02856	0.5
127.03861	0.1
129.01822	0.2
145.02794	0.6
153.01817	4.5
163.03870	0.6
171.02840	0.6
187.03914	0.2
203.06972	0.2
205.05061	0.4
225.05449	0.4
229.04919	0.4
229.08656	0.3
243.06448	0.4
271.05994	100.0
272.06326	2.5
277.64838	0.1
433.11264	0.5
438.13846	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Isovitexin
Peak:m/z	Relative Intensity
53.03922	0.7
55.01868	1.3
55.05494	0.8
57.03435	1.1
59.04969	0.3
60.04494	0.3
61.02904	0.4
65.03924	0.6
67.01843	0.3
67.05470	0.8
68.99787	1.2
69.03427	1.6
69.07060	0.5
69.59113	1.5
70.06593	3.5
71.04974	0.5
72.08126	1.0
73.02895	0.4
75.91906	0.2
79.05476	0.6
81.02979	0.3
81.03416	2.5
81.07030	0.9
83.04960	0.3
84.04493	0.4
84.08119	0.4
85.02449	0.3
85.02898	3.5
85.06512	0.8
86.09698	1.6
87.04447	0.3
91.05473	1.4
92.99770	0.2
93.03394	0.5
93.07025	0.9
95.04980	1.3
95.08564	0.7
97.02919	1.1
97.06511	0.4
98.02737	0.2
98.21554	0.3
98.97545	0.2
99.04425	0.9
101.40527	0.2
103.03903	0.8
103.05436	0.4
105.03365	0.9
105.07014	1.0
107.04948	1.2
107.08573	0.8
109.02870	3.2
109.06487	0.7
109.10176	0.4
110.07153	0.4
111.04439	0.4
115.05445	0.3
116.06344	0.4
116.07091	5.1
118.06553	0.4
119.04935	3.7
119.08633	0.2
120.08069	0.5
121.02864	9.8
121.06471	0.4
121.10101	0.6
123.00815	0.3
123.04438	0.4
123.08045	0.4
125.09637	0.3
127.03915	1.1
127.07511	0.2
128.10724	0.4
129.05481	0.2
129.10243	0.3
131.04887	0.9
131.08516	0.3
133.02840	1.0
133.06345	0.2
133.10144	0.5
134.31026	0.2
135.04405	1.2
135.08072	0.2
137.02316	0.5
137.05962	0.3
137.09584	0.4
138.09145	0.7
139.09477	0.4
141.01839	2.1
145.02834	3.8
145.04955	0.2
145.06506	0.3
145.67874	0.2
147.04384	0.9
147.09187	0.3
147.11627	0.3
149.02328	1.9
149.09636	0.4
151.03920	1.1
153.01822	1.1
157.10129	0.3
159.04379	0.6
159.07964	0.3
161.05991	0.5
162.05264	0.2
163.03908	3.8
165.01826	14.6
165.06966	0.4
166.02194	0.4
166.08618	1.5
167.03384	3.5
167.07024	0.7
167.08885	0.8
167.10654	0.5
169.02773	0.5
169.06448	0.3
171.04332	0.3
173.05844	0.3
173.07149	0.5
173.09320	0.3
175.03856	0.9
176.01181	0.3
177.01903	1.4
177.05432	0.8
179.03326	0.5
181.04962	2.7
183.02879	6.1
183.07927	0.2
185.09599	0.3
185.11713	0.9
187.03963	2.5
187.07370	0.3
189.01776	0.5
189.05437	0.6
191.03333	1.7
191.08174	2.5
193.05013	0.2
195.02898	2.1
197.00688	0.2
199.03937	0.4
199.11258	0.4
201.05438	0.4
201.09035	0.5
203.03375	0.7
203.87520	0.2
205.04990	1.5
207.02815	0.3
207.06326	0.3
209.00923	0.3
209.04353	0.3
211.07507	0.7
213.05656	0.3
215.03329	0.4
215.06961	0.4
217.04941	0.4
227.06952	0.3
229.05017	2.0
229.08525	0.6
231.02747	0.3
233.04420	0.9
239.07018	0.9
241.04771	0.3
242.05750	0.6
243.02881	1.2
247.05887	0.3
249.03641	0.3
249.07539	0.3
253.04996	0.3
253.08438	0.3
253.12328	0.5
255.06467	1.1
256.07309	1.4
259.09570	0.4
261.03906	0.8
267.06516	8.8
268.06949	0.5
269.04413	0.4
270.05203	3.3
271.06003	9.3
271.09152	0.5
271.13293	2.7
272.06317	0.6
277.08517	0.4
279.06613	1.6
280.07153	0.2
281.04877	0.4
281.08066	7.1
282.08444	0.3
283.05997	100.0
284.06653	13.5
285.07629	1.1
289.11414	0.5
293.07999	1.1
294.05072	0.5
295.06000	12.1
295.09601	2.8
296.06686	0.4
297.03894	0.8
297.07550	2.9
301.10660	1.3
305.08032	2.6
307.06027	2.4
307.12808	0.9
308.06793	2.1
309.03986	1.6
309.07529	21.0
310.07849	1.2
311.05392	0.9
311.08878	0.3
313.07050	65.0
314.07404	2.6
320.06784	0.3
321.07642	3.1
322.08334	0.3
323.05847	0.7
323.09113	16.5
324.09485	0.8
325.06958	0.9
333.07571	3.8
335.05472	0.8
337.07040	37.0
338.07413	1.7
349.07053	10.4
350.07486	0.7
351.08661	3.2
355.11697	0.5
361.07043	9.9
362.07410	0.3
367.08112	20.4
368.08527	1.0
371.11850	0.3
379.08115	18.2
380.08347	1.1
397.09149	17.7
398.09512	1.1
403.13687	0.6
415.10159	9.4
416.10706	0.5
433.11050	3.8
433.15985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.03933	0.3
55.01866	0.2
55.05505	0.2
57.03412	0.2
61.02921	0.1
65.03955	0.1
65.43484	0.1
67.01852	0.5
67.05506	0.2
68.99791	0.6
69.03421	0.8
69.07051	0.2
70.06586	1.1
70.46590	0.4
71.04977	0.2
72.08128	0.5
79.05478	0.6
81.03414	0.8
81.07033	0.3
83.04951	0.2
84.04462	0.3
84.08131	0.5
85.02899	1.5
85.06512	0.1
86.09709	0.9
87.10043	0.2
89.06020	0.3
91.05479	0.6
93.07059	0.3
95.04945	0.6
95.08595	0.4
97.02883	0.5
98.21440	0.2
99.04451	0.3
99.21445	0.1
102.05535	0.2
105.03384	5.1
105.07018	0.4
107.04982	0.2
107.08585	0.2
109.02878	0.9
109.06512	0.2
109.10137	0.2
110.07159	0.2
113.05987	0.2
118.29596	0.1
119.04931	1.8
119.08507	0.2
120.08059	0.4
121.02859	0.8
121.10094	0.2
123.04438	0.9
124.07591	0.3
125.06033	0.2
125.09640	0.1
127.03882	0.8
128.06119	0.1
129.01802	0.2
129.10204	0.1
130.06586	0.1
131.07021	0.3
131.08623	0.2
133.08588	0.2
133.10117	0.3
145.02827	1.0
145.04935	0.2
145.10091	0.2
149.08022	0.3
151.03836	0.3
153.01825	4.3
153.05455	0.4
161.06049	0.2
163.03899	0.5
167.10620	0.2
171.02792	0.8
185.08087	0.5
185.11708	0.3
187.51765	0.1
197.09412	0.2
201.09143	0.2
203.07021	0.3
225.05391	0.4
229.04968	0.2
243.06425	0.3
247.06253	0.2
249.07663	0.4
267.08716	1.0
271.05991	100.0
272.06329	3.1
283.05981	0.8
298.54703	0.1
309.07672	0.2
311.13004	0.3
313.07062	0.6
349.07086	0.2
397.09317	0.2
433.11249	3.6
433.16458	0.3
434.12128	0.2
451.30957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	6-C-beta-D-Galactosylapigenin
Peak:m/z	Relative Intensity
51.02789	1.2
69.03422	2.9
69.71059	7.6
71.05003	1.7
73.02901	1.7
79.01868	3.1
81.03413	3.4
82.10403	1.2
85.02909	4.3
86.09715	1.3
91.05471	1.8
93.07025	1.9
95.08586	2.6
97.02919	2.7
99.04462	1.6
109.02899	4.1
109.10139	1.9
113.41657	1.2
119.04922	3.7
121.02866	17.9
125.05965	1.5
127.03888	2.1
135.04446	2.0
140.40302	1.2
145.02843	4.2
149.02374	1.4
151.03938	1.3
153.01871	1.6
153.65678	1.6
163.03964	3.4
165.01854	6.4
167.03490	2.3
167.14369	1.4
183.02914	3.2
185.11800	1.5
195.02875	1.5
205.05017	1.8
213.05531	3.5
216.07841	1.4
217.04875	2.5
227.07104	2.4
228.24173	1.2
243.02858	3.1
243.06598	1.8
253.12180	2.1
255.06560	6.2
256.07300	9.7
259.06213	2.5
261.03955	1.8
267.06525	2.7
270.05237	2.5
271.06055	6.3
271.13312	3.4
281.08057	2.2
283.06006	94.1
284.06754	35.3
285.07480	3.2
289.14493	1.6
295.06030	18.4
297.07574	19.6
308.06860	2.2
309.04343	2.1
309.07520	10.2
311.05579	2.1
313.07050	100.0
314.07321	2.6
321.07645	2.4
323.05515	2.8
323.09113	23.6
325.07141	5.4
327.08911	1.5
329.15750	1.8
337.07043	26.6
338.07724	1.3
343.08121	6.7
349.07083	5.1
351.08698	5.3
361.07150	3.4
367.08072	19.8
379.08139	14.8
397.09222	30.4
398.09750	2.4
398.15164	1.5
415.10233	44.3
433.11307	71.5
434.11813	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	433.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.0
55.01863	0.1
55.05519	0.0
57.03444	0.0
58.64548	0.0
59.30631	0.0
61.02908	0.0
65.03937	0.0
66.17668	0.0
67.01532	0.0
67.01865	0.5
67.05495	0.0
68.99441	0.0
68.99763	0.3
69.03416	0.1
69.07056	0.0
70.06578	0.1
71.05013	0.0
71.53620	0.0
77.03936	0.0
79.05483	0.0
81.03430	0.1
81.07054	0.1
83.04988	0.0
84.04489	0.0
84.08157	0.0
85.02911	0.1
85.06535	0.0
86.09690	0.1
91.05475	0.5
93.07047	0.1
95.04954	0.1
95.08593	0.1
97.02876	0.1
97.06501	0.0
99.04505	0.0
105.03322	0.0
105.07024	0.0
106.00824	0.0
107.04990	0.0
107.08543	0.0
109.02863	0.1
109.06512	0.0
109.10132	0.1
111.00816	0.1
111.04465	0.0
113.43620	0.0
117.07047	0.0
119.04939	2.3
120.05251	0.0
121.01994	0.0
121.02866	0.6
121.06490	0.0
121.10136	0.0
125.02368	0.0
125.05983	0.0
125.09528	0.0
127.03883	0.1
129.01837	0.2
131.04974	0.0
133.02826	0.1
135.04434	0.1
139.11197	0.0
141.06918	0.0
145.02832	0.6
145.04776	0.0
145.06491	0.0
145.10063	0.0
147.04395	0.1
147.08095	0.0
151.03868	0.1
153.01822	4.9
154.02151	0.1
155.08568	0.0
159.07947	0.0
161.05925	0.1
163.03903	0.5
167.07068	0.0
167.10797	0.1
167.14244	0.0
168.07285	0.0
169.02811	0.0
169.06482	0.1
171.02893	0.5
173.05870	0.0
173.09584	0.0
175.07600	0.0
177.09134	0.0
185.05957	0.1
185.11610	0.1
185.15332	0.0
187.03932	0.2
187.07571	0.1
197.06012	0.1
201.05545	0.0
201.09077	0.2
203.07085	0.1
205.05058	0.1
211.03932	0.1
215.07127	0.0
225.05437	0.3
229.04930	0.3
229.08661	0.1
243.06482	0.4
243.13535	0.0
247.06120	0.1
253.04965	0.1
254.05777	0.1
270.05115	0.0
271.05991	100.0
272.06326	3.2
283.05887	0.1
289.14282	0.0
313.07233	0.0
433.11185	0.4
433.16965	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	432.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.2
55.01866	2.3
55.05513	4.5
57.03427	2.3
59.05004	44.6
66.77052	1.8
67.05514	4.5
69.07082	9.3
71.52830	3.2
74.15034	1.7
79.05486	5.5
81.07067	8.3
83.04980	3.1
83.08630	4.4
86.98987	1.9
87.52071	1.9
91.05454	11.9
93.07055	7.1
95.08611	4.8
97.37808	1.8
100.61961	1.9
105.07037	31.5
107.04988	2.6
107.08598	7.0
109.06449	2.4
109.10153	4.6
111.04468	8.6
117.07005	4.6
119.08621	9.8
121.02885	2.0
121.10131	4.3
123.11801	2.3
129.07027	3.8
131.08580	20.1
133.10153	8.1
134.09709	12.7
135.08049	6.1
135.11687	3.4
141.07010	4.9
142.07823	2.8
143.08537	10.8
145.10126	16.5
147.11653	2.3
154.04956	2.9
155.08553	28.7
156.09370	3.1
157.10133	26.9
159.11694	36.9
159.12993	1.2
160.12143	1.8
161.13348	3.3
167.08569	2.2
169.10158	9.9
171.11682	19.9
173.13300	6.5
175.14897	3.5
178.07797	2.2
181.10107	10.9
183.08081	3.3
183.11682	9.8
185.13264	7.0
191.10683	2.5
193.10138	3.2
195.11719	7.2
197.13341	5.9
199.11125	2.3
205.15833	2.6
209.13239	8.5
211.14807	28.8
213.16374	25.7
219.11703	2.4
221.13280	5.5
223.14780	2.6
227.17967	9.2
228.08839	3.6
235.14871	7.1
237.16382	26.8
239.14369	5.8
251.18053	5.7
253.15871	3.9
255.17441	47.4
257.15335	10.2
260.59070	2.0
261.16391	4.8
271.05960	10.4
271.77106	2.2
273.18600	6.8
279.17502	17.2
297.18460	22.2
309.60928	2.2
315.19562	100.0
316.19861	4.7
335.25928	3.3
414.33557	2.2
415.20114	2.2
432.34677	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06349	2.6
55.05505	3.0
59.05002	41.2
60.98748	2.5
69.07066	5.1
71.51743	3.2
76.51673	2.5
79.05470	3.1
91.05481	11.1
95.08615	3.2
98.98491	3.2
105.07027	33.4
107.08614	4.2
109.10136	3.1
111.04443	9.4
119.08620	9.0
121.10152	3.4
129.06998	5.6
131.08601	14.0
133.10175	3.6
135.08041	6.1
141.07025	3.1
143.08574	11.7
145.10133	10.6
150.67729	2.7
154.05011	4.2
155.08569	24.0
157.10109	27.3
159.11673	34.4
161.13161	3.1
163.14801	3.0
168.10582	2.8
169.10115	11.6
171.11688	16.5
173.13295	5.0
179.08466	3.6
181.10150	11.0
183.11731	9.3
185.13239	6.8
188.76031	2.9
192.09320	3.1
193.10103	5.5
195.11653	12.3
196.12338	2.8
197.09656	3.1
197.13165	3.6
203.14345	3.7
205.15865	4.3
209.13237	7.5
211.11278	2.4
211.14835	24.9
213.16339	30.8
221.13193	4.2
227.17973	9.0
228.08647	9.5
230.72708	2.6
235.14816	4.2
237.16409	26.9
239.14238	6.4
253.15904	4.3
255.17439	51.1
257.15384	12.5
261.16357	5.6
263.92407	2.7
271.05899	5.7
273.18472	6.2
279.17526	13.8
297.18542	20.6
315.19525	100.0
353.65201	2.7
432.27066	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	432.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01864	1.8
55.05497	0.7
57.03440	0.9
59.05000	0.6
65.03932	2.4
67.05492	2.4
68.05020	0.6
69.03432	3.7
69.07037	0.9
70.06602	5.3
72.08167	2.6
74.06077	0.5
79.05492	1.1
80.01376	1.0
80.05011	1.1
81.03429	3.5
81.07048	0.9
82.06580	4.6
83.04962	0.6
84.04498	2.3
84.08144	3.6
85.02908	6.1
86.09712	4.2
87.04491	0.9
90.94759	0.5
92.05006	6.7
93.03404	1.0
95.04972	1.0
96.08081	0.5
97.02898	3.6
98.20715	1.2
99.04449	1.1
101.01813	0.5
108.04473	1.1
109.02879	2.6
109.05247	0.5
110.06052	3.8
110.07162	1.2
111.04428	1.1
116.07078	0.6
120.04468	6.3
120.08112	0.6
121.02876	1.0
124.07576	2.8
127.03913	4.2
128.07060	0.9
129.10207	1.9
136.07602	0.7
138.05499	49.3
138.09142	1.2
154.04987	1.4
156.06555	34.9
166.04996	10.0
166.08641	1.5
167.05757	1.5
169.04924	0.6
184.06058	100.0
185.06348	0.8
215.96141	0.6
220.05998	1.0
226.07100	11.5
250.07280	0.5
252.16037	0.6
256.05954	0.7
270.17032	1.2
271.06052	2.2
274.07178	4.5
292.08212	8.3
310.09201	23.7
328.10239	13.3
346.11325	1.2
350.88528	0.5
388.16559	0.9
432.15213	6.7
432.21548	0.8
433.13132	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
54.50589	0.7
55.01867	2.2
55.05501	3.3
65.03934	1.8
67.05500	6.9
69.07066	5.8
71.44608	1.6
72.03623	0.7
77.03918	1.0
79.05490	6.7
81.06639	1.0
81.07062	6.8
83.08617	2.3
85.89247	0.7
91.05480	22.0
93.07045	100.0
94.07389	1.0
95.04962	2.9
95.08617	6.4
103.05473	5.4
105.04514	1.4
105.07031	22.2
107.04962	1.8
107.08600	9.8
109.02827	1.0
109.10153	15.1
117.07016	1.9
119.04935	3.2
119.08588	18.8
121.02890	1.0
121.06506	3.5
121.10144	37.5
122.10487	1.0
123.04408	1.3
123.08070	1.3
123.11687	1.3
128.06192	1.3
129.06990	3.4
131.04927	3.6
131.08554	2.3
133.06485	3.0
133.07568	0.8
133.10136	18.6
135.04416	10.6
135.11690	11.1
137.05937	2.3
137.13269	1.2
141.32060	0.8
142.07756	1.8
143.08549	1.6
147.04431	12.9
147.08083	2.4
147.11668	2.8
149.05981	23.5
155.08557	1.4
156.09377	1.0
157.10092	1.5
159.04451	2.6
159.11668	1.7
161.05971	2.3
161.13264	22.5
163.07567	1.4
165.07031	2.0
167.03450	1.0
167.08568	2.3
171.08058	1.0
171.11687	2.9
173.05984	2.0
173.09659	1.1
175.03912	67.7
175.07410	4.6
176.04356	1.8
177.05473	64.3
178.05817	1.5
179.08574	1.0
180.09320	1.2
183.07962	1.0
185.09598	2.7
189.05489	9.7
189.09018	1.4
189.12750	1.9
193.10118	0.8
197.09622	2.3
198.06725	3.4
199.03905	8.1
199.07547	2.9
199.11131	1.4
201.05484	2.7
201.09111	2.9
203.07079	2.1
203.10533	0.9
209.09648	2.0
211.07562	2.2
213.05524	6.6
213.09099	19.8
215.07045	1.5
215.14227	1.2
225.09142	2.3
227.06970	6.7
227.10617	4.4
239.07010	6.3
240.11441	1.2
241.08574	1.1
241.12206	1.8
243.13753	1.3
253.08595	15.9
255.13820	9.3
265.08624	1.3
267.10162	3.2
269.11777	4.4
269.15192	2.2
279.13843	1.3
283.16968	3.5
293.15302	1.2
295.13309	35.0
295.16663	1.8
296.13809	1.6
297.14777	7.6
311.16415	72.5
312.16693	3.3
325.17908	1.7
333.18494	1.6
335.16422	3.4
337.17966	2.0
344.22598	0.8
345.18637	1.0
348.09790	0.9
349.17944	2.9
351.19370	0.9
361.56482	0.9
363.19464	2.3
375.19446	2.2
389.21078	2.7
403.26312	1.5
413.24060	0.9
431.25827	99.2
432.26154	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	431.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03941	1.8
55.01865	2.0
55.05503	2.4
57.51675	0.6
61.47010	0.7
65.03945	1.0
67.05507	6.1
68.99805	0.8
69.07069	5.4
71.52908	1.0
74.13023	0.6
78.47314	0.7
79.05493	6.0
81.07050	6.0
83.08605	1.8
91.05482	18.4
93.03393	0.7
93.07044	89.8
94.07369	1.6
95.04960	3.3
95.08619	6.4
103.05471	3.5
105.04501	0.8
105.07037	18.2
107.04948	1.4
107.08609	8.6
109.02850	0.6
109.10162	15.6
115.05471	0.8
117.07033	1.5
119.04942	3.6
119.08587	16.7
121.06491	3.0
121.10142	40.6
123.11681	1.6
125.85686	0.8
128.06279	0.9
129.07019	1.7
131.04924	2.7
131.08553	2.4
133.06497	2.5
133.10133	17.3
135.04407	10.5
135.11685	10.4
136.04829	0.7
137.05995	2.1
142.07750	2.1
143.08566	2.5
145.06517	1.0
147.04408	11.1
147.08032	2.5
147.11699	2.9
149.05988	21.0
155.08583	1.3
156.09367	1.1
157.06453	1.0
157.10153	1.6
159.04451	1.9
159.11679	1.7
161.05975	2.8
161.13261	18.9
163.07564	1.2
165.07007	1.2
166.07722	1.1
171.08015	1.0
171.11739	2.3
173.06038	0.9
175.03905	58.6
175.07568	2.6
176.04311	1.3
177.05472	59.5
178.05807	1.6
181.10088	1.0
183.08124	1.5
185.05936	1.1
185.09662	2.0
189.05464	8.6
189.09082	1.8
189.12764	4.0
195.08124	1.1
197.09700	1.2
198.06834	3.5
199.03908	8.8
199.07564	2.2
201.05466	2.1
201.09096	2.4
203.07030	1.7
209.09747	0.7
211.07562	1.6
212.08316	1.4
213.05653	5.2
213.09120	18.2
215.06973	1.1
215.10571	1.1
218.67937	0.8
225.09125	1.7
227.07080	7.0
227.10687	4.1
237.09090	1.0
239.07039	5.7
239.11024	0.8
241.08604	0.8
241.12311	1.6
243.13861	1.3
243.21278	0.7
253.08601	14.7
255.13809	6.7
267.10141	3.1
269.11703	4.6
269.15366	1.2
280.10663	1.0
283.16910	3.8
291.13821	1.3
295.13303	33.0
296.13800	1.2
297.14871	5.6
311.16412	61.9
312.16656	2.5
325.18091	1.6
335.16238	3.3
348.38672	0.8
349.17926	2.1
363.19577	2.4
375.19571	2.7
389.21112	2.8
403.26447	1.9
431.25827	100.0
432.26157	7.1
451.08289	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.1
57.03432	5.7
57.07075	1.1
61.16893	0.4
63.93743	0.4
67.05508	10.4
69.07068	2.7
71.08636	0.9
71.45436	0.8
79.05497	4.3
81.03416	0.6
81.07053	13.3
83.08617	2.0
83.72845	0.5
91.05481	2.6
93.07038	3.9
94.08937	0.4
95.04945	1.2
95.08602	10.5
97.06522	0.7
97.10163	1.2
98.98473	0.7
99.08114	0.5
105.07033	2.8
106.44864	0.5
107.08601	2.7
109.10153	4.9
111.08059	0.5
111.11724	0.5
112.24413	0.4
113.00018	100.0
119.08574	2.0
121.10155	2.8
123.11736	2.3
131.01062	0.8
133.10112	2.2
135.11691	0.9
137.09596	0.6
137.13254	0.9
147.11671	0.8
149.13266	0.8
151.14839	1.1
154.02625	0.6
155.01003	0.6
161.13252	1.4
163.14793	0.9
165.16307	0.7
169.02611	97.8
170.02995	0.7
175.14761	0.9
182.34557	0.4
189.16347	0.7
219.42856	0.4
245.22697	4.1
259.78983	0.4
263.23724	8.2
264.23923	0.5
379.01041	0.4
381.57938	0.5
424.72113	0.5
426.61334	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.5
57.07078	54.0
58.15548	0.8
59.05009	2.3
65.03933	3.1
67.05180	1.3
67.05508	17.0
69.03432	4.6
69.07072	4.4
69.50774	7.0
71.05005	1.5
76.77154	0.9
79.05469	2.1
81.07063	3.0
83.04969	1.1
85.06549	14.0
88.00196	0.8
90.46995	0.8
91.05479	8.6
93.07056	1.7
95.04929	1.1
95.08607	2.5
98.21515	1.7
103.05475	3.1
105.07026	3.0
107.08617	4.2
108.20647	0.9
109.10148	11.9
115.05447	1.3
117.07029	1.9
119.04936	2.5
119.08559	2.0
120.04469	1.1
128.06213	2.3
129.07027	2.7
131.04893	6.0
133.06509	1.9
133.10146	1.1
135.11688	0.9
137.09641	1.2
141.06969	1.2
143.08580	2.5
145.10201	1.3
147.04401	14.2
153.06950	1.5
157.10143	1.4
159.04419	9.3
160.03951	1.0
161.06026	1.7
163.03909	2.6
171.04489	1.1
171.08026	1.5
173.06015	2.5
174.95898	0.9
175.03909	100.0
176.04362	1.8
177.05470	9.4
181.06546	1.2
186.09134	0.9
187.03902	12.2
187.07532	2.6
189.01822	2.0
189.05489	10.0
195.08124	1.0
197.05956	1.2
199.03923	6.2
199.07553	4.4
200.10728	3.9
201.05428	5.4
203.03426	14.0
203.06912	4.3
205.04950	1.9
213.05457	3.7
214.06151	1.1
215.07013	10.1
217.04948	1.2
217.08548	8.6
221.04420	1.7
225.05415	1.1
226.06165	1.7
227.07014	15.5
227.10544	1.1
229.08585	8.7
231.06660	1.0
231.10173	13.7
233.08064	10.0
241.08627	21.9
242.08157	2.0
243.10133	6.3
245.08098	46.8
246.08467	1.8
247.09636	2.2
257.08099	2.8
259.09692	13.0
263.08948	1.1
269.08121	1.5
269.11453	0.9
271.09628	1.0
281.11722	1.5
283.13382	2.5
287.12668	1.3
289.10550	1.6
293.11819	2.2
299.12698	5.9
301.14261	3.0
311.12775	6.3
317.13855	11.1
329.13751	9.4
399.63000	1.0
409.03729	1.0
423.01682	1.0
431.19635	1.7
431.27322	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	431.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
53.60224	0.7
55.05507	2.9
55.70099	0.8
57.03420	0.9
59.04993	3.0
65.03935	4.1
66.28772	0.7
67.05512	3.3
69.07066	2.2
69.39663	0.7
71.26166	1.1
71.26501	1.2
79.05502	6.5
81.07062	17.1
83.08631	1.7
91.05491	3.6
92.05018	14.1
93.07037	4.6
95.04960	2.9
95.08605	4.2
97.06567	1.8
97.10219	1.3
103.05473	1.3
104.05034	1.1
105.07051	5.1
107.08607	6.1
109.06530	6.3
109.10160	3.3
115.05489	1.9
117.07040	1.6
119.08559	4.1
120.04472	100.0
121.04809	1.4
121.06555	0.9
121.10146	2.8
123.11720	1.7
125.09661	0.8
129.07025	2.1
130.06531	15.1
131.08588	3.2
132.04448	14.4
133.06459	0.8
133.10156	5.1
134.06039	1.2
135.08047	4.3
135.11740	1.9
142.06520	2.2
143.08568	2.3
144.08084	1.0
145.10150	3.0
146.05998	9.7
147.08070	1.2
147.11716	2.3
148.03938	1.0
149.09616	3.0
154.06538	2.4
157.10172	2.1
158.06027	27.9
158.09676	1.3
159.06763	1.0
159.11726	3.3
161.09598	1.7
161.13255	1.8
162.05556	1.8
163.11198	1.2
166.06534	2.0
167.07362	2.9
168.08092	2.4
169.10197	1.4
170.06020	14.9
170.09593	1.3
171.11765	1.9
172.03975	1.2
172.07594	2.2
172.11172	1.1
173.13254	1.6
174.05513	2.6
175.11205	1.2
175.14850	1.0
181.08835	1.6
182.06059	2.2
182.09637	2.8
183.06790	10.8
183.11803	1.0
184.07594	21.8
185.07953	0.9
185.13345	1.5
186.09224	2.7
187.14871	1.6
189.12843	0.9
189.16441	1.5
190.05045	3.8
194.06061	1.8
196.07600	6.5
196.11165	1.1
197.08362	2.0
198.05621	0.9
198.09195	5.4
200.10713	14.1
201.12766	1.4
201.16467	0.8
203.14371	1.1
205.15816	0.9
210.09174	5.4
212.10750	2.8
214.08626	4.4
215.14285	1.1
216.10300	1.3
220.07500	1.1
221.13173	1.3
222.05621	5.5
222.09216	1.2
224.07114	1.4
224.10735	6.2
236.10742	1.7
240.10204	2.4
242.11703	1.2
245.15596	0.9
245.18971	1.7
247.08818	1.0
247.17082	1.2
249.06564	1.0
252.10248	1.1
266.15457	2.6
268.09915	1.6
269.10681	4.1
271.08887	0.8
271.12509	1.3
272.09512	0.8
275.08066	2.7
277.09726	2.4
277.95914	0.8
280.09750	1.2
285.10193	1.9
287.08453	1.5
287.11884	6.1
296.09564	1.5
297.10223	20.6
298.11121	1.8
298.14410	3.3
300.08942	2.4
300.16028	2.3
303.07687	1.2
313.09888	0.9
315.11313	13.1
315.14706	0.7
322.11029	1.3
325.13211	1.9
327.14883	1.6
335.23355	1.4
337.13455	1.8
338.13998	1.9
339.15005	2.2
341.12753	1.2
353.24902	1.1
355.14413	2.5
356.14972	1.0
385.19122	1.1
395.25885	1.5
403.20126	2.2
413.18750	11.4
413.26575	4.2
431.19693	9.2
431.27832	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	431.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.9
61.02956	1.1
61.56931	1.0
65.03934	3.6
67.05504	2.6
68.66348	1.0
69.03409	1.5
70.73250	2.4
70.73637	2.0
73.02899	1.2
79.05475	1.6
81.07047	3.6
85.02884	1.1
91.05482	1.2
92.05005	15.9
93.07051	2.6
95.04951	1.7
95.08566	2.4
97.02895	1.2
105.07048	1.8
112.81145	1.3
115.05430	1.6
118.06512	2.0
119.08568	1.7
120.04465	100.0
121.04793	1.9
130.06532	19.8
131.08551	1.1
132.04440	11.8
133.10078	1.3
142.06442	1.9
143.08571	1.2
144.08084	1.8
146.06010	11.8
150.09143	1.3
154.06532	2.4
155.20432	1.0
158.06013	32.0
159.06494	1.1
159.11629	1.3
162.05496	1.6
166.06509	1.8
167.07324	1.9
168.08025	3.1
170.06017	17.4
170.09659	1.4
172.07631	2.4
174.05505	1.8
179.39122	1.1
180.08000	1.6
181.08804	1.4
182.05974	3.0
182.09637	2.9
183.06799	13.6
184.07582	26.7
184.09245	1.3
186.09192	1.9
188.10628	1.1
194.06029	1.7
196.07544	6.8
197.08289	2.8
198.09155	7.4
200.10690	12.9
206.06035	1.2
210.09178	4.0
212.10692	3.7
214.08667	1.7
222.05487	6.1
222.09161	1.7
224.07202	1.0
224.10704	5.7
236.10658	1.1
240.10190	2.4
242.11841	1.7
247.08475	1.0
249.10181	1.7
252.10118	1.7
256.09702	1.1
262.08783	1.2
268.09976	1.6
269.10678	4.7
271.08740	2.1
277.09729	2.6
280.09738	2.8
285.10284	1.7
286.10950	1.1
287.08328	1.3
287.11691	5.5
297.10223	25.0
298.10938	2.3
298.14258	2.0
300.08957	2.4
300.15848	2.0
301.20172	1.3
313.09579	1.7
315.11316	13.5
323.11804	1.5
325.13266	1.6
327.14795	1.5
329.12585	1.6
337.13190	1.7
338.13907	3.0
339.14822	2.2
350.17502	1.3
355.14426	3.6
385.19107	4.7
387.20517	2.7
403.19943	2.4
407.59653	1.1
413.18756	7.1
431.19641	10.1
431.29153	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.2
56.96555	0.4
57.03422	0.5
60.33965	0.1
61.02920	0.3
62.40978	0.1
69.03427	1.5
69.55466	0.7
70.06573	0.4
71.01347	0.3
71.04990	0.1
72.08143	0.3
73.02903	0.5
81.03414	0.5
84.08124	0.3
85.02904	2.9
87.04463	0.1
88.28126	0.1
91.03946	0.2
94.04047	0.4
95.29623	0.1
97.02895	1.3
98.97591	0.6
99.04454	0.3
105.03389	0.2
109.02909	0.3
115.03961	0.1
116.98606	0.3
119.03533	1.1
125.02370	0.1
127.03938	0.5
127.37805	0.1
128.98630	0.2
133.04985	0.2
133.78368	0.1
136.06181	100.0
137.04634	0.8
137.05704	0.2
137.06529	0.4
145.04958	0.4
147.04405	0.4
150.05539	0.2
151.05821	0.2
152.05722	0.1
161.14882	0.1
190.95358	0.2
207.01961	0.1
219.01848	0.2
237.02826	0.3
246.91188	0.2
264.91940	0.1
268.10376	2.1
288.92249	0.2
298.11435	0.5
306.93503	0.1
348.94107	0.2
388.93884	0.2
412.22043	0.1
430.15717	5.4
430.94125	0.1
431.15604	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	430.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.5
65.03942	0.8
67.05510	0.5
69.03418	1.2
70.06592	1.6
70.07961	2.1
72.08145	0.9
72.88782	0.4
74.22130	0.4
74.50871	0.4
74.77956	0.4
79.05476	0.6
81.03421	1.6
81.07043	1.0
84.04474	0.4
84.08152	0.7
85.02894	1.5
86.09684	1.0
91.05477	8.7
93.07036	0.6
95.04974	0.7
95.08594	0.8
97.02916	0.5
98.21447	0.4
105.03375	0.9
105.07029	0.6
106.46021	0.4
107.08596	0.6
109.02853	0.8
119.04940	24.2
119.08576	0.5
120.08093	0.6
121.10172	0.5
127.03889	0.4
132.22171	0.5
141.58864	0.5
147.04413	100.0
148.04729	2.2
151.03964	0.5
159.07979	0.5
165.05478	0.5
177.57520	0.4
208.07204	0.5
250.93510	0.5
273.08517	0.4
291.08707	0.7
400.46637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3729
Annotation	all-rac-3,4-Dehydro-alpha-tocopherol
Peak:m/z	Relative Intensity
51.76847	2.1
55.05504	3.6
57.07068	9.0
57.09723	1.7
61.95357	1.8
61.99664	1.9
67.05476	4.7
67.23755	1.8
69.07072	13.0
70.84560	5.0
71.08630	6.0
72.94759	2.3
79.05498	4.8
81.07067	20.6
83.08609	4.1
85.10158	2.4
91.59238	1.9
93.07043	6.4
94.40448	2.1
95.08617	19.1
97.10181	5.0
105.07021	3.1
107.08590	9.7
109.10153	9.1
119.08555	3.1
121.10164	5.9
123.11720	4.5
131.08647	3.0
133.10098	5.1
135.08096	3.9
135.11722	3.8
145.10126	4.9
147.11694	4.6
149.09613	4.6
149.13295	2.3
152.07077	2.0
157.10213	4.7
159.11720	6.8
161.09584	2.1
163.11189	5.8
165.09119	20.6
173.13321	3.2
175.11185	8.7
177.12761	1.9
185.27187	2.1
211.14922	3.5
275.50128	2.3
295.35086	2.1
305.66458	2.3
393.35239	2.6
411.36356	9.7
425.92813	2.2
429.32007	5.8
429.37256	100.0
430.37759	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	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05516	3.0
57.03421	0.6
57.07080	18.0
64.99770	0.5
67.05506	5.9
69.07076	4.0
70.16542	0.5
71.08634	12.9
71.24748	0.6
71.25082	0.6
79.05473	2.0
81.07062	6.3
83.01342	0.7
83.08627	3.0
85.10194	6.0
91.05480	2.4
93.07040	2.2
94.03813	0.5
95.08603	6.7
97.10176	1.3
99.11739	0.6
105.07017	1.9
107.08588	6.5
109.10159	5.3
111.04380	1.2
111.11712	1.1
117.06980	1.4
119.07840	0.6
119.08570	3.4
121.06470	1.1
121.10149	4.9
122.07285	1.1
123.08031	1.4
123.11729	1.2
129.06923	0.8
131.08604	2.5
133.10120	2.2
135.08092	4.4
135.11708	2.3
137.06001	0.8
137.09621	10.6
137.13261	0.8
139.07542	1.8
144.09404	0.6
145.10112	2.7
149.09624	16.5
151.07552	1.5
151.14729	0.7
157.10260	0.7
159.08067	1.0
159.11734	2.8
160.08926	0.5
161.05939	0.6
161.09628	1.7
162.06758	1.2
163.11203	19.2
164.08269	0.6
165.09120	100.0
166.09457	1.7
172.08894	0.6
173.09630	2.2
173.13289	1.9
174.10381	0.7
175.07574	0.7
175.11220	5.5
176.08368	1.9
177.09120	10.6
177.12735	1.5
179.10684	1.2
186.10411	1.1
187.11198	2.3
187.14806	0.9
189.09161	1.4
189.12802	1.7
190.09946	1.2
191.10692	9.8
195.48167	0.5
201.12805	2.6
203.10658	1.8
203.14291	0.7
204.11447	0.8
205.12251	9.9
215.14322	1.8
219.13849	5.0
229.16011	0.9
233.15353	2.7
247.17000	1.6
261.18555	1.3
275.20273	1.3
289.21600	2.0
290.92822	0.5
303.23175	2.2
317.24823	1.2
331.26318	1.7
345.27859	1.4
359.29315	1.2
373.31067	1.0
401.34305	2.7
411.36142	2.1
429.37305	38.2
430.37634	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	429.3726
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.62047	0.6
55.05498	2.2
57.07074	15.9
63.05139	0.6
67.05493	5.5
69.07059	4.1
69.84919	3.3
71.08627	11.2
72.01821	0.6
72.56313	0.6
73.59701	0.6
78.58691	0.6
79.05483	1.8
81.07052	6.7
83.08643	3.3
85.10176	4.8
88.19954	0.6
91.05451	1.3
93.07035	3.1
95.08601	5.9
97.10168	2.4
105.07021	2.4
107.08594	5.6
109.10149	6.4
111.11713	0.9
119.08561	4.8
121.06516	2.0
121.10134	4.8
122.07244	1.3
123.08043	1.4
123.11684	1.2
125.05928	0.7
131.08542	1.8
133.10109	1.7
135.08058	4.6
135.11641	1.7
136.08844	1.9
137.06001	0.9
137.09610	10.1
137.13251	1.0
139.07541	2.2
145.10132	3.0
149.09613	14.4
151.07494	1.1
151.14722	0.7
159.11662	2.2
161.09569	1.8
162.06743	1.8
163.11176	19.7
164.08333	3.1
165.09113	100.0
166.09480	1.2
170.20656	0.7
171.97601	0.7
173.09607	2.3
173.13255	2.2
175.11162	5.6
176.08302	1.5
177.09119	10.2
177.12729	1.8
179.10631	1.3
186.10417	1.3
187.11223	3.1
187.14769	0.8
189.09106	1.5
189.12755	2.3
190.09894	1.5
191.10667	10.4
201.12717	2.7
203.10680	2.1
203.14384	1.2
205.12218	9.1
215.14247	1.5
219.13792	4.2
233.15402	2.0
247.16873	1.1
261.18539	1.7
275.20065	1.9
289.21506	0.9
303.23141	1.0
317.24655	1.3
331.26367	0.8
373.30820	1.2
401.34204	2.2
407.97937	0.6
411.36194	1.9
429.32355	1.4
429.37247	37.6
430.37851	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	429.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41483	0.7
53.03939	2.4
55.05506	2.1
57.07063	1.5
59.04976	0.9
59.98487	0.8
64.74364	0.8
65.03947	1.6
67.05245	0.7
67.05511	8.6
67.43661	0.7
69.03400	1.0
69.07063	4.1
69.64152	4.1
70.06573	0.9
71.01330	0.9
79.05495	22.1
79.64500	0.8
79.64965	0.8
81.03424	1.3
81.07057	100.0
82.07376	1.7
83.04975	1.0
83.08607	2.0
85.06523	1.5
91.05476	9.7
93.07047	8.8
95.04955	2.2
95.08601	8.7
97.06547	1.8
97.10181	1.0
98.20821	1.0
103.05498	0.9
105.07032	10.1
107.08598	11.0
107.25021	0.8
109.06523	41.1
109.10176	4.5
110.06820	1.5
111.04384	0.8
111.08098	2.4
117.05748	0.8
117.07018	3.0
119.08568	10.4
121.06474	1.5
121.09412	0.8
121.10162	6.4
123.08092	2.9
123.11739	4.0
125.09602	1.3
128.06197	1.0
129.06984	1.9
130.06512	0.9
131.08582	8.7
133.06526	1.0
133.10123	10.1
135.08060	7.3
135.11673	3.4
136.63429	0.8
137.09615	0.9
137.87334	0.8
141.06987	0.9
142.07765	1.3
143.08530	3.8
144.09364	1.2
145.10121	11.1
147.08064	1.7
147.11681	7.2
149.09637	4.9
149.13205	1.4
151.07544	1.2
151.11176	3.2
155.07050	2.4
155.08458	2.0
157.10141	6.8
158.05983	1.3
159.08044	1.3
159.11703	9.4
161.09608	2.7
161.13242	5.7
163.11154	1.7
163.14781	1.7
169.08730	1.4
169.10152	3.3
171.11646	5.0
173.09535	1.6
173.13248	6.2
175.11154	2.3
175.14848	4.9
177.12808	1.0
179.10602	1.5
181.10149	1.7
183.11679	3.0
185.13275	4.1
187.11180	1.8
187.14856	3.2
189.12753	2.3
189.16400	3.7
191.18016	1.3
193.12286	1.9
195.11751	1.7
196.07661	0.8
197.08302	1.8
197.13274	2.8
199.11211	1.1
199.14853	4.3
200.10751	1.5
201.12834	2.6
201.16414	3.4
203.14288	3.0
205.15877	2.4
211.11322	0.9
211.14867	2.2
212.10713	14.5
213.16362	1.8
215.14273	2.1
215.17928	3.1
217.15918	2.6
219.13853	0.9
219.17424	1.2
223.14868	0.9
224.10765	1.0
225.16367	3.0
231.17258	1.0
232.18152	2.6
233.18958	3.6
239.17873	0.9
241.15956	1.1
243.17426	3.4
245.15352	1.7
257.19040	1.3
259.17038	1.2
261.18521	7.7
265.19403	1.1
267.17419	1.5
269.19037	1.8
281.18845	1.2
283.20416	1.5
285.18518	3.7
297.22058	2.7
299.16562	0.9
303.19534	4.6
309.22025	2.7
313.21719	1.1
321.20715	3.6
323.23886	2.7
325.21646	5.5
327.23135	2.8
341.24725	2.2
351.23203	3.4
367.22598	2.0
369.24265	11.3
393.24164	1.8
404.50839	0.9
411.25452	6.2
423.07657	0.9
429.26382	41.0
430.26892	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	429.2636
Annotation	Graviphane
Peak:m/z	Relative Intensity
53.03938	2.5
55.05504	2.6
57.07078	1.0
57.64365	0.5
59.04996	0.7
65.03944	1.2
66.04739	0.5
67.05514	7.8
69.07072	1.9
69.27260	5.7
71.04987	1.2
79.05495	22.6
81.07059	100.0
82.07401	1.6
83.04992	1.1
83.08616	1.7
85.06542	1.4
91.05479	10.6
93.07042	7.3
95.04994	2.8
95.08611	8.5
97.06549	1.7
97.10175	1.1
98.20710	1.1
99.08152	0.5
105.07036	9.3
107.08601	9.6
109.06522	40.8
109.10162	4.9
110.06819	0.9
111.08091	3.3
116.09185	0.6
117.07022	2.9
119.08585	10.7
121.06499	1.6
121.10146	5.0
121.60632	0.6
123.08082	3.4
123.11719	5.6
123.65340	0.5
125.09629	1.1
129.06998	2.6
130.07832	0.6
131.08582	6.8
133.06538	1.0
133.10136	8.5
135.08066	3.5
135.11725	3.1
137.09601	1.7
139.01514	0.6
139.07610	0.6
142.07837	1.1
143.08536	4.3
144.09372	0.8
145.10126	8.3
147.08058	1.1
147.11728	4.2
149.09605	4.3
149.13301	1.8
151.07544	1.4
151.11197	1.9
153.09102	1.1
155.07034	2.3
155.08554	2.3
156.09369	1.5
157.10159	4.7
159.11685	8.4
161.09669	2.1
161.13269	4.6
163.11191	1.8
165.09067	0.8
167.08560	0.7
168.09314	0.8
169.10170	2.5
170.10881	0.9
171.11624	3.9
173.09648	2.0
173.13287	4.9
175.11220	2.5
175.14812	3.6
177.09053	1.0
177.12830	1.3
177.16388	0.7
179.08556	0.6
179.10699	0.9
181.08658	0.7
181.10107	1.0
183.11723	3.5
185.13277	4.0
187.11252	1.6
187.14838	2.1
188.15059	0.6
189.09352	0.6
189.12756	2.0
189.16423	2.8
191.10696	1.4
191.14171	0.6
195.10133	0.7
195.11697	1.9
197.13249	2.7
199.11201	0.8
199.14845	2.6
201.12773	3.1
201.16370	2.6
203.14340	2.7
203.18130	0.6
204.15076	1.4
205.12222	0.7
205.15904	1.5
207.11725	0.9
209.13284	1.5
211.14857	2.0
213.12802	0.9
213.16415	1.4
215.14359	1.7
215.17987	2.3
217.15892	2.3
219.13901	0.6
219.17468	1.3
221.13365	1.3
221.15286	1.0
223.14876	0.8
225.12788	1.1
225.16435	1.4
227.14325	1.2
229.12190	0.7
231.17523	1.5
232.18204	0.8
233.19011	3.3
239.17937	0.9
241.19377	0.6
243.13672	0.6
243.17442	3.5
245.15462	2.1
246.19443	0.7
255.17482	0.6
257.18991	1.6
259.16910	1.1
261.18524	9.2
265.19519	1.4
267.17520	0.9
269.19073	1.1
283.17270	0.6
283.20569	1.8
285.18503	4.7
293.19052	0.7
297.22235	1.5
303.19595	4.2
307.20480	1.3
309.22195	1.7
313.21680	1.2
321.20557	4.6
323.23825	2.3
325.21628	5.3
327.23080	2.7
333.22314	0.9
341.21176	0.7
341.24881	1.6
351.23282	2.8
367.22668	2.3
369.24341	8.2
385.23712	1.9
393.24188	2.1
411.25208	7.3
429.26398	25.7
430.27051	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	429.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.0
57.03435	5.2
57.07079	1.2
60.10665	0.5
67.05502	9.4
69.07063	2.2
71.53481	1.0
79.05492	8.1
81.03420	0.8
81.07057	9.8
83.04972	0.6
83.08622	1.5
85.06539	0.6
91.05450	4.9
93.07043	12.0
95.04961	1.3
95.08616	8.3
97.06544	0.6
97.10163	0.7
99.08054	0.8
105.07021	3.5
107.08601	8.4
109.10174	3.8
111.08018	0.7
113.00016	100.0
113.09644	0.8
117.07021	2.0
119.08601	3.0
121.10159	7.1
123.08019	0.6
123.11714	1.6
131.01086	0.9
131.08560	4.8
133.10109	2.8
135.11699	5.9
137.07462	0.5
137.13257	1.4
139.01605	0.8
145.10118	3.3
147.11681	2.1
149.09618	1.1
149.13269	3.7
151.11182	0.6
154.02596	0.8
154.12242	0.5
155.01054	1.3
159.11731	2.6
161.13232	1.8
163.14810	3.5
169.02609	90.5
170.02968	0.8
171.11536	0.6
173.13287	3.3
177.16310	1.1
187.14801	2.0
201.16414	0.7
208.84743	0.6
233.22754	1.1
243.21046	7.0
261.22137	22.6
262.22513	0.8
275.23834	0.9
398.36063	0.5
429.23862	1.3
449.95514	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
59.04143	1.0
59.04977	1.4
66.07078	0.9
78.71665	1.0
83.04982	3.6
92.04998	2.9
97.90974	1.0
105.03385	3.8
106.01080	1.0
120.04463	11.8
128.04939	1.6
130.02876	5.5
130.06540	2.2
131.63147	1.2
132.04420	2.8
138.57440	1.2
144.08105	1.7
146.06018	8.2
147.22131	1.1
154.06483	2.5
156.04416	2.0
158.06001	2.6
158.09708	1.1
165.86900	1.1
167.07335	2.8
170.05983	4.1
172.03941	1.6
179.06015	12.0
180.06619	1.5
180.08060	2.2
182.06006	13.0
183.06796	24.6
184.07481	3.3
190.05087	1.1
194.09644	1.3
196.07617	7.2
197.08386	3.6
198.05484	2.9
198.09117	4.0
199.06346	1.7
207.05557	22.7
208.05956	5.5
208.07764	3.4
209.08389	5.9
210.09018	5.0
212.07030	1.3
222.09174	2.9
223.10056	1.8
224.10724	3.8
225.06526	14.3
225.08202	1.0
226.08679	3.0
233.08427	1.3
234.09190	7.0
238.08641	5.5
238.12175	2.0
239.09219	1.7
240.10130	2.6
247.08568	1.8
255.09154	2.8
256.09805	2.4
257.10764	1.4
266.08139	3.0
267.09036	1.3
268.09763	8.0
271.08688	10.0
278.11780	1.4
283.08649	3.1
283.74350	1.1
284.09439	9.2
285.10156	9.6
286.07452	1.6
287.08182	9.5
288.08948	1.3
289.09695	2.4
293.10693	2.2
295.08591	2.5
296.09421	7.3
296.12784	6.2
297.10013	1.2
297.13510	1.3
298.07416	1.8
298.14374	13.8
299.08252	2.4
300.08926	2.0
307.12369	1.5
309.10117	3.1
310.11029	3.6
311.08136	1.6
311.11676	10.4
312.08908	3.3
313.09686	100.0
314.10211	9.3
321.10144	3.1
322.11017	4.1
323.08002	1.2
323.11578	1.2
324.09009	2.0
325.13300	4.0
326.14056	2.4
328.08551	1.3
328.12167	2.1
329.12823	1.3
331.10797	1.1
335.11804	10.0
336.12564	16.7
337.09622	5.5
337.13290	6.1
338.10403	12.7
339.11273	46.9
340.11804	5.1
343.14355	1.5
353.12878	13.1
354.13562	23.7
355.10495	1.9
355.14304	2.8
356.11517	3.7
369.11972	1.1
369.15787	5.3
371.13840	4.4
379.14444	2.4
395.17599	7.7
397.15475	20.2
411.16986	2.4
412.17850	9.2
413.18607	1.3
429.18030	14.0
430.18256	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1753
Annotation	Hyuganoside II
Peak:m/z	Relative Intensity
51.13251	0.6
53.03940	4.1
54.20044	0.6
55.01859	4.8
55.05510	1.9
57.03432	3.6
61.02915	3.7
66.77293	0.7
67.05485	1.7
68.99764	2.3
69.03429	21.9
69.07047	1.3
69.60220	5.0
70.06611	4.6
71.01339	0.9
71.04977	2.9
71.50909	0.8
72.08141	1.7
73.02904	4.9
79.05477	3.8
81.03416	21.2
81.07057	5.7
83.01353	0.9
83.04963	2.7
84.08140	1.9
85.02903	41.5
86.09688	3.2
87.00320	1.0
87.00830	15.6
91.05466	6.5
93.07043	8.1
95.04971	16.2
95.08585	2.3
97.02887	11.9
97.06528	1.8
98.21500	0.9
99.04451	8.8
101.15293	0.8
103.03913	1.8
105.01869	14.3
105.07018	7.5
107.04968	1.1
107.08592	9.8
109.02880	20.3
109.06508	2.3
117.01850	2.9
117.07008	3.5
118.77029	0.7
119.08573	5.9
121.06496	2.8
121.10129	11.6
123.08066	1.7
125.05991	1.2
127.03912	36.6
129.01814	2.5
130.07800	2.7
131.08514	0.9
133.06490	1.1
133.10089	1.8
135.07996	0.7
135.11687	5.3
137.06012	1.7
138.46834	0.7
143.08524	1.4
145.04962	13.6
145.10117	12.8
147.02885	3.3
147.08035	1.1
148.08838	0.9
149.05919	2.0
149.09622	1.1
155.75581	0.8
159.02890	12.2
159.11723	1.2
161.09604	1.3
162.05515	1.5
163.05844	1.8
163.11172	100.0
164.11595	0.8
164.61455	0.7
165.09152	1.2
165.12761	0.7
167.07025	2.3
169.73274	0.8
175.11179	1.8
177.12669	0.8
180.06529	2.7
181.06853	1.9
181.12242	5.5
187.11215	1.1
189.03963	2.2
205.12247	5.1
213.03897	1.0
223.13315	8.1
231.04988	8.0
255.95763	0.7
263.39734	0.8
269.10379	0.9
271.13058	0.9
289.14343	1.8
393.15427	2.5
411.16873	1.0
429.16800	2.1
429.21545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01865	1.8
55.05511	6.0
56.05017	2.6
56.68019	0.7
57.03427	1.4
57.07062	2.6
58.02943	1.2
60.04527	79.9
65.03957	1.1
67.04224	1.1
67.05186	1.1
67.05507	15.2
69.03419	0.9
69.07077	6.8
69.32435	2.3
69.32846	5.0
70.02900	0.8
70.06572	1.2
71.04971	1.3
71.08613	0.8
72.04504	1.7
74.06048	1.3
77.00386	0.6
79.05486	8.5
80.04997	2.0
81.03412	1.0
81.07069	9.4
82.06137	0.9
82.06585	14.5
83.04972	1.9
83.08627	6.9
84.08140	0.8
85.02892	1.1
85.06522	2.2
87.08114	1.1
90.05557	0.9
91.05457	5.7
93.06488	1.3
93.07045	16.9
94.06572	17.2
95.04977	13.7
95.07327	1.0
95.08601	7.5
96.04420	0.8
96.08113	2.3
97.06534	2.2
97.10136	2.2
98.09687	4.8
103.05455	2.5
105.04538	0.8
108.08129	4.4
109.06493	2.8
109.10151	1.6
110.06059	3.7
110.09684	10.3
111.08061	3.3
111.11702	1.0
112.07592	2.8
120.08099	8.9
121.06522	7.5
121.10115	1.7
126.09148	10.9
135.11682	1.4
138.09145	46.1
139.07549	7.6
139.09529	1.2
144.10187	1.2
147.77046	0.7
156.10202	30.4
157.10562	1.2
163.17345	0.8
174.11261	10.0
266.24811	1.8
272.25815	3.0
314.26941	1.2
362.30499	1.2
374.30432	1.1
380.31622	0.9
392.31497	1.4
396.34998	1.0
410.32651	30.5
411.33035	2.3
428.33649	100.0
429.12183	0.9
429.33963	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	428.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01861	2.0
55.05512	9.1
56.05024	2.0
57.07058	4.8
58.02098	1.1
60.04527	79.9
67.05245	1.2
67.05508	12.5
69.07049	7.8
69.26604	13.4
71.05005	1.5
72.04514	1.5
79.05497	7.4
80.05030	1.2
81.07056	15.5
82.06577	18.4
83.08624	8.4
83.85513	1.3
85.02847	1.5
85.06529	2.7
86.06086	1.2
87.08086	2.3
91.05441	6.6
93.07039	15.4
94.06578	20.2
95.04962	14.7
95.08611	9.7
96.08111	4.4
97.06496	2.4
97.10164	3.5
98.09686	6.2
103.05495	2.9
105.07022	1.4
107.05015	3.0
108.08101	4.6
109.06513	2.8
109.10152	2.1
110.06054	3.0
110.09692	11.9
110.95025	1.5
111.08083	5.3
112.07595	2.7
120.08086	5.1
121.02843	9.2
121.06457	6.3
121.10113	1.5
123.51901	1.4
126.09149	13.0
128.10692	1.6
135.10661	1.3
135.11679	2.6
136.89177	1.2
138.09137	51.2
139.07559	9.8
145.10078	1.6
156.10201	36.1
173.62784	1.4
174.11237	7.7
180.06671	1.5
193.05042	2.0
225.61900	1.3
233.08089	1.4
243.38541	1.2
266.24905	2.1
266.67053	1.3
272.25833	3.5
292.11731	2.7
314.26901	3.0
392.31674	2.8
410.32590	33.6
411.33005	1.6
427.26450	1.7
428.33661	100.0
429.12277	1.6
429.34067	6.8
441.96994	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	428.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.05505	1.6
65.03936	3.8
65.93700	0.6
67.05498	2.0
69.07063	1.9
70.06599	0.9
71.05006	1.6
71.53445	0.7
79.05491	1.5
81.03417	4.6
81.07050	2.0
85.06548	3.2
86.02429	20.8
91.05449	1.5
93.07058	2.0
95.04961	1.7
95.08586	1.7
97.02910	0.6
104.03468	23.3
105.07030	1.5
107.04955	14.0
107.08581	1.6
108.08118	1.2
109.10147	1.6
111.04433	3.1
113.06005	20.4
119.08550	0.8
120.42549	0.7
121.02864	100.0
121.10162	1.9
122.03256	1.1
134.05969	0.8
135.11679	1.3
136.07576	1.5
146.06009	1.9
162.05502	5.0
163.06288	2.3
163.79837	0.7
164.07079	14.3
178.15915	1.3
180.06554	25.9
233.08069	15.1
242.90445	0.7
276.12347	10.3
292.11780	34.3
358.32965	0.7
365.47968	0.7
428.19141	1.1
428.24393	12.7
429.24826	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01869	0.6
55.05524	0.6
56.05030	0.4
57.03444	0.4
57.05825	0.3
59.05026	0.4
60.04522	0.5
67.05502	1.1
68.05032	0.4
69.03427	1.6
69.07059	0.9
69.86866	1.7
70.06587	5.8
71.04993	1.3
71.64184	0.3
72.07818	0.3
72.08154	1.9
73.04776	0.3
74.06092	0.3
79.05468	0.7
81.03412	1.0
81.07058	0.9
82.04491	0.3
82.06578	10.6
83.04972	0.5
84.04520	0.5
84.08142	3.2
85.02903	3.9
85.06488	0.4
86.09703	1.5
87.04464	0.4
88.62038	0.3
91.05421	0.6
91.05881	0.4
93.07050	2.5
95.04974	1.5
95.08627	0.4
96.08116	0.4
97.02889	1.2
98.06075	0.3
99.04463	1.5
99.08065	0.7
100.07605	2.4
101.07172	0.3
103.03941	0.7
105.03373	1.6
107.08591	1.0
109.02872	1.1
109.06553	0.5
109.10157	0.6
110.06026	0.5
110.07158	0.6
112.07621	0.4
112.08725	0.3
113.02364	0.4
115.03895	0.4
116.07077	1.0
117.05486	5.7
117.07012	0.2
119.04939	0.3
119.08548	0.6
120.08098	0.3
121.06500	2.6
121.10139	0.8
122.06027	0.4
123.04435	0.8
123.08041	0.4
126.64854	0.3
127.03924	1.6
128.07077	100.0
129.07405	1.1
129.10214	1.1
135.04440	0.4
136.07562	0.7
142.08633	16.8
145.04965	1.5
145.10201	0.4
146.06021	0.4
147.04385	0.8
149.05989	2.4
149.13280	0.5
151.07576	0.9
152.04526	1.6
152.05724	0.3
152.07071	1.1
154.04999	1.1
159.11670	0.8
162.05457	0.7
162.09157	1.3
163.06067	1.5
163.07285	0.3
165.05472	0.4
166.07343	0.3
167.05737	0.5
167.06987	2.1
176.07056	0.8
177.05463	0.5
177.12794	0.4
180.04027	1.8
188.09180	69.7
189.09483	0.8
205.12228	0.5
213.12325	0.3
266.10510	0.3
266.13763	0.5
280.08133	0.3
289.09332	0.4
306.07156	0.6
359.02728	0.5
366.22574	0.9
385.14136	0.3
410.21719	2.6
422.38815	0.4
428.22989	8.9
429.13354	0.6
429.22815	0.4
441.29437	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13472	0.6
53.03932	2.8
55.01861	2.9
55.05513	5.9
57.03422	2.1
57.07072	8.4
60.04536	0.6
61.02917	2.2
61.94065	0.6
65.69556	0.6
68.99768	1.0
69.03426	10.5
69.72989	3.7
70.06586	1.9
71.04980	1.9
72.08141	1.8
73.02925	3.1
81.02982	1.1
81.03416	11.3
81.07055	1.1
83.08620	3.1
84.08137	1.0
85.02903	29.0
86.09705	1.4
87.00829	10.7
89.06023	25.1
91.03924	0.8
91.05471	1.2
93.07052	0.8
95.04958	1.4
97.02301	0.9
97.02884	11.8
99.04451	6.3
101.09657	10.3
105.01862	9.0
105.07004	0.8
107.04971	1.5
107.07064	27.7
107.08595	1.1
109.02874	11.7
115.03935	1.1
117.01823	2.1
119.08527	0.9
120.08085	0.9
121.06445	0.7
123.04411	0.9
127.03909	17.4
129.01843	1.3
135.11665	1.1
136.07558	0.7
145.04929	7.4
145.12216	1.2
147.02893	1.1
147.04358	0.7
159.02890	7.0
163.13287	100.0
164.13641	1.7
180.06580	1.9
189.03825	0.8
213.03957	2.6
231.04857	3.3
247.62399	0.6
249.06082	0.7
270.44366	0.8
325.56302	0.6
428.18924	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41354	0.4
51.41611	0.5
53.03941	1.3
55.01863	1.4
55.05503	3.7
57.03436	0.7
60.04509	0.6
67.05505	1.8
67.58739	0.5
69.03429	3.5
69.07064	1.3
70.06593	6.5
70.52560	0.5
71.04988	2.2
71.52508	0.5
72.08155	1.8
73.02909	0.7
75.04466	1.0
77.66467	0.4
79.05493	1.7
81.03412	3.5
81.07035	2.3
82.06578	20.1
83.04972	0.8
84.04494	0.8
84.08141	3.6
85.02435	0.8
85.02905	9.8
85.06534	1.0
86.06061	1.0
86.09691	3.2
87.00824	1.0
87.04454	1.4
90.95650	0.4
91.05452	2.4
92.05721	0.5
93.07042	5.8
94.06610	0.6
95.04948	2.3
95.08588	1.2
96.08162	2.3
97.02876	2.7
97.06526	1.0
99.04462	3.1
100.07613	1.4
103.03957	0.9
103.05449	0.5
103.07601	0.9
105.01868	0.9
105.03378	0.8
105.07034	1.4
107.04916	0.6
107.08617	2.5
109.02881	2.0
109.06521	1.0
109.10126	1.1
110.07158	0.9
110.09638	0.4
111.08070	0.7
112.90709	0.5
113.02375	0.6
115.03940	1.4
116.07088	1.6
117.05489	16.5
119.08571	1.6
121.06494	4.8
121.10098	1.0
123.04449	1.1
123.08040	0.6
124.07593	12.4
127.03912	2.9
127.08723	0.7
128.07076	76.9
128.10724	2.1
128.56108	0.5
129.07391	1.0
129.10240	0.6
131.08527	0.6
133.10149	0.6
135.11714	0.7
136.07593	0.6
137.06023	0.5
139.03885	0.5
142.08632	38.2
143.08910	0.7
145.04930	4.9
145.06552	0.5
145.10129	1.0
147.04401	0.6
149.05959	4.3
152.07060	0.6
154.05049	0.8
159.11707	1.4
161.13258	0.5
162.05547	1.0
162.09084	0.6
163.06041	4.5
163.07310	0.9
163.09660	0.8
163.11032	0.5
164.07072	0.6
167.07016	4.3
170.08078	0.7
177.05521	0.9
177.12781	0.8
178.04991	1.1
179.36638	0.5
179.82433	0.5
180.06531	0.5
180.10210	1.0
188.09180	100.0
189.09430	1.3
205.12276	2.1
223.13254	1.2
244.12849	0.5
251.10255	0.6
264.07080	0.5
288.00497	0.5
289.09048	0.7
290.13388	1.1
307.10287	1.7
308.14474	0.8
342.11563	0.9
360.17093	0.6
366.22696	5.0
410.21796	5.1
419.10858	0.6
428.22821	9.1
429.14639	0.8
429.21115	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	428.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19857	2.1
53.03944	4.0
55.01876	2.7
56.02045	1.8
56.05035	2.0
57.03421	8.0
57.03675	2.1
57.07070	4.8
61.02913	4.5
62.13055	2.0
69.03435	16.7
70.06597	14.7
70.44113	6.9
71.04991	4.8
72.08156	3.8
73.02904	3.6
75.04469	3.4
81.03419	17.0
84.08134	4.5
85.02899	60.2
85.06513	7.3
86.09669	4.9
87.00812	13.7
87.13427	2.2
91.05463	1.9
95.04929	2.6
97.02890	24.2
99.04436	6.2
103.03922	6.7
103.07584	40.7
105.01852	16.3
105.03389	3.6
109.02876	14.0
117.05486	100.0
127.03922	38.5
127.07553	5.7
129.01854	2.2
129.10213	2.8
136.07571	9.4
145.04936	33.6
145.08655	3.7
154.04942	2.7
159.02861	3.5
162.05525	4.1
163.06001	23.5
163.09682	13.8
164.07115	2.4
173.08089	2.3
180.06616	9.4
229.15491	3.0
231.04991	8.3
253.10690	2.8
261.26236	2.1
271.08115	2.2
289.09116	5.1
307.10110	4.2
357.11758	3.9
375.12894	2.1
404.60736	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	428.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01883	0.9
55.05517	0.6
56.05032	0.8
56.08837	0.4
56.93500	0.5
56.96554	0.6
57.03421	1.0
63.72448	0.5
65.94343	0.5
66.93884	0.4
69.03436	2.8
69.97066	2.1
70.06596	7.3
70.50288	0.5
71.04964	0.8
72.08152	1.9
73.02927	0.8
73.04752	0.7
81.03423	2.2
82.06587	6.9
83.05007	0.9
84.04502	1.4
84.08144	100.0
85.02909	9.0
85.08498	0.9
86.09695	0.7
91.05787	2.2
93.07069	0.5
95.04954	0.9
97.02885	2.8
98.97596	0.9
99.04423	1.0
100.07624	3.1
101.02316	0.5
105.03394	2.7
105.06964	0.6
109.02882	1.9
110.07157	1.4
111.04433	1.2
112.08697	0.6
113.06033	0.5
116.07101	0.6
116.98604	0.6
117.05516	0.5
120.08108	0.7
121.02881	0.6
127.03897	2.1
128.07079	16.9
129.10229	1.1
130.08636	19.3
136.07678	0.6
137.02359	1.9
142.08659	0.6
145.04987	0.6
146.49596	0.5
148.07523	0.5
151.03906	0.5
159.06778	1.1
160.07559	0.8
167.05566	0.7
174.05548	0.8
177.05403	1.1
184.07530	0.7
186.05539	0.6
188.07098	6.1
188.09193	2.0
202.08659	0.9
210.11223	0.9
228.12314	1.1
230.08125	1.1
238.10692	1.8
248.09221	2.1
256.11801	10.1
266.10239	15.0
267.04413	2.2
274.12854	8.3
359.02557	1.1
400.86783	0.5
410.14636	3.3
428.15546	56.0
429.15628	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	428.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
53.33240	1.0
58.06604	9.1
69.03426	1.5
70.06586	3.9
71.04989	0.8
72.08168	4.6
72.08495	0.8
76.52535	0.8
77.03908	0.9
77.97863	0.8
79.05515	1.2
81.03423	2.1
83.05000	1.0
84.04508	1.3
84.08134	2.1
85.02900	3.0
85.06560	1.1
86.09684	1.5
95.04981	4.6
97.02909	2.0
99.04498	1.0
105.03396	100.0
109.02875	1.8
116.07077	1.3
117.03383	2.4
120.08096	1.1
121.02824	1.0
127.03921	1.6
129.10201	1.0
145.02861	7.9
145.04985	1.2
162.09143	11.3
163.07538	14.1
177.05486	23.2
180.10207	82.4
181.10580	1.1
189.57437	0.9
202.53712	0.9
248.09114	1.1
266.10590	1.3
266.13864	8.4
381.71613	1.0
392.18988	0.9
428.23029	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71333	0.5
53.03946	2.6
55.05517	0.8
57.03414	0.6
58.06600	6.4
59.05000	0.7
60.04526	0.7
67.05510	0.8
69.03430	2.3
69.07077	0.8
69.19175	5.9
70.06592	4.1
71.05006	0.8
72.08160	3.8
79.05482	1.1
81.03416	3.7
81.07050	0.7
84.04500	0.9
84.08148	2.4
85.02913	4.3
86.09702	2.6
87.00841	0.5
91.05453	1.1
93.07038	0.8
95.04973	3.6
95.08615	0.8
97.02893	2.0
97.06558	0.7
98.20779	0.8
99.04465	0.9
105.03393	100.0
105.07005	0.9
106.03731	0.8
107.04915	0.6
108.08067	0.5
109.02884	2.2
109.06535	0.6
110.07131	0.8
117.03375	2.4
119.04937	0.5
119.08578	0.6
120.08118	2.0
124.04015	0.8
126.09191	0.6
127.03910	1.9
129.46428	0.5
131.05067	0.6
134.05963	0.8
136.03905	0.8
137.06007	0.6
138.19855	0.6
143.11777	0.6
145.02850	9.1
145.04779	0.6
145.08591	0.7
147.11681	0.6
149.05954	1.3
158.05971	0.7
159.02815	0.5
159.06824	1.1
160.07521	0.7
162.05493	1.0
162.09125	12.6
163.07547	14.0
164.07030	0.6
172.07550	0.6
176.06978	0.7
177.05472	22.3
178.04935	0.7
180.10196	73.7
181.10553	0.9
206.08035	0.7
212.10675	0.9
218.08284	0.7
230.11734	3.1
240.39203	0.5
248.09192	2.3
248.12793	3.2
248.16374	1.9
263.19882	0.5
266.10251	2.1
266.13852	7.2
266.16769	0.9
290.13876	0.7
320.14554	0.6
320.91199	0.6
359.02969	0.6
374.19565	0.9
400.70303	0.6
410.21371	1.6
428.23166	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	428.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01873	0.3
55.05497	0.2
57.03419	0.2
64.17465	0.2
65.03935	0.3
67.05489	0.4
68.99746	0.2
69.03423	1.2
70.06579	0.8
71.04949	0.2
71.53197	0.3
72.08141	0.3
73.02882	0.2
77.03911	0.3
79.05487	0.5
81.03417	3.0
81.07038	0.3
83.04987	0.2
84.08121	0.3
85.02908	1.2
86.09698	0.5
86.86494	0.2
91.05455	0.2
95.04972	1.4
95.08615	0.4
97.02894	1.0
99.04448	0.6
105.03390	16.9
105.07019	0.3
106.03725	0.3
107.08622	0.2
109.02881	1.4
109.06522	0.3
109.10125	0.2
120.04456	0.4
123.04415	1.0
127.03912	1.2
133.10139	0.3
134.06018	1.4
134.74837	0.2
135.11620	0.2
145.04979	0.7
145.10110	0.3
147.04434	0.2
161.51604	0.2
162.05496	100.0
163.05858	2.4
163.11200	0.2
167.07034	0.3
169.07639	0.4
192.15355	0.2
225.06563	0.3
229.06177	0.2
230.15378	0.3
249.07590	3.0
252.93320	0.2
256.17209	0.2
267.08542	0.4
271.07190	0.2
274.17993	0.8
285.08585	0.2
295.07095	0.3
313.08270	0.2
347.42703	0.2
382.31421	0.2
384.27423	0.3
403.20517	0.2
410.13104	0.3
428.13394	5.9
428.18460	0.9
428.30087	0.5
429.13632	0.3
441.29443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3934
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
55.05500	20.9
57.07051	8.9
67.05500	20.8
68.47721	6.4
69.07070	45.4
71.05000	8.5
71.53881	6.7
79.05497	13.6
81.07056	45.4
83.08607	11.5
85.06541	52.1
91.05459	6.5
91.48650	5.1
93.07037	30.4
95.08601	87.5
97.10175	7.8
101.07359	5.3
105.07027	13.9
107.08587	27.1
109.10149	100.0
111.11714	13.0
119.08606	11.9
121.10122	37.7
123.11733	29.5
133.10118	11.3
135.11699	31.2
137.13248	20.1
142.00623	5.8
147.11714	12.4
149.13271	20.9
163.14789	14.3
171.57845	5.8
177.16335	9.1
191.17981	19.7
205.19539	25.8
217.19493	9.4
221.19080	7.0
229.39412	6.1
231.21185	7.0
235.20549	7.3
245.22420	6.7
427.39606	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3936
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
51.01632	1.5
55.05507	14.4
57.07070	6.2
65.03957	1.6
65.96184	1.6
66.83405	1.7
67.05502	29.3
68.77711	2.2
69.07065	18.6
69.69632	1.6
71.04998	2.0
71.08637	1.9
71.52985	2.3
71.53400	1.9
74.27534	1.7
79.05479	8.8
81.07056	67.5
82.87656	1.7
83.08622	11.7
91.05469	4.4
92.46227	1.6
92.52608	1.8
93.07040	18.7
94.58276	1.9
95.08604	100.0
97.10162	6.4
98.32618	1.6
104.41367	1.8
105.07016	10.8
107.08598	26.4
109.10159	61.0
111.11736	2.6
118.68065	1.8
119.08563	11.8
121.10142	27.9
123.08045	2.4
123.11717	22.8
131.08517	2.5
133.10138	6.9
135.11697	17.1
137.13266	39.5
139.14929	2.9
145.10109	3.3
147.11687	7.0
149.13249	9.8
151.14784	3.2
159.11711	4.8
161.13228	9.7
163.14847	10.1
173.13258	3.1
175.14819	5.1
177.16388	6.6
179.14317	5.1
179.17973	2.4
187.14818	3.8
189.16364	9.6
191.17938	9.7
203.17924	5.5
205.19534	8.3
217.19540	4.4
219.21129	3.1
229.19543	3.9
229.37981	1.9
259.24155	2.9
271.24106	2.2
409.38297	8.8
427.39658	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	427.3934
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
51.11241	1.7
52.67511	1.7
53.03938	2.5
55.01867	1.9
55.05507	20.0
57.03432	1.7
57.07069	11.9
62.73071	1.8
67.05504	28.9
69.03442	2.0
69.07069	45.3
69.51678	8.8
69.52113	3.9
71.04978	2.4
71.08614	4.7
77.28512	1.5
79.05486	18.3
81.07056	92.5
83.05019	2.6
83.08618	23.5
84.07310	1.7
85.06534	3.4
91.05469	11.7
93.07039	35.6
95.04951	3.6
95.08606	100.0
96.08937	2.9
97.10183	11.5
99.08089	4.3
104.03473	2.8
105.07021	22.3
106.74723	1.6
107.08586	55.1
108.12357	1.7
109.06474	1.9
109.10153	66.0
111.08105	4.6
111.11738	9.0
113.05990	1.8
113.09627	2.7
117.06995	2.6
119.08566	26.4
121.02884	4.6
121.10142	47.2
122.60444	1.7
123.08035	1.9
123.11711	43.5
125.09626	4.7
131.08591	3.8
133.10136	19.6
135.07957	2.3
135.11673	33.6
137.13249	25.4
139.11246	2.9
143.08575	2.0
144.53972	1.8
145.10130	6.7
147.11681	17.9
149.13249	27.9
151.11203	6.4
151.14839	5.8
159.11719	6.2
161.13275	12.2
163.14838	16.4
165.16418	3.9
173.13300	6.1
175.14857	10.8
177.16341	10.1
179.18040	2.6
187.14796	4.3
189.16426	10.8
191.17946	13.8
193.19540	2.1
201.16359	4.6
203.12871	2.4
203.17944	11.8
205.19498	10.2
215.18062	2.2
217.19531	6.8
219.21129	4.6
221.19019	2.6
229.19632	2.6
231.21101	2.9
233.22697	2.2
243.21156	1.9
245.22742	2.5
257.22552	2.0
271.24234	3.1
273.25684	2.8
285.25790	3.8
292.11792	2.2
299.27136	2.4
327.30832	2.1
371.33313	1.8
409.38367	12.7
427.19681	2.7
427.39444	67.3
428.39914	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	427.3935
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03937	2.0
55.05512	22.9
57.07077	10.1
60.04517	6.5
65.03927	1.9
66.55786	1.4
67.05507	31.8
69.07071	56.0
70.22330	1.3
71.08627	5.2
79.05495	14.5
81.07057	95.1
82.07401	1.9
83.08147	1.9
83.08614	20.9
85.06548	1.8
85.10184	1.5
91.05484	7.8
93.06477	2.6
93.07043	34.3
94.06610	1.6
95.04955	3.1
95.08607	100.0
96.08922	2.1
97.10173	10.5
103.05456	1.4
105.07032	21.2
107.08596	42.6
109.10159	73.4
110.10433	1.8
111.08070	3.0
111.11722	11.1
119.08582	25.1
121.10143	36.9
123.08072	1.7
123.11698	44.3
125.09637	1.9
125.13287	3.8
131.08551	5.7
133.10126	18.2
135.11705	25.8
137.09610	1.9
137.12219	1.9
137.13257	27.7
138.09145	4.3
139.11197	3.0
145.10112	6.4
147.11719	11.5
149.13268	22.1
151.11151	2.2
151.14827	6.6
153.12790	1.6
156.10271	2.1
159.11729	7.4
161.13258	13.8
163.14822	17.2
165.12794	3.8
165.16435	2.8
169.76729	1.4
173.13266	5.5
175.14825	10.2
177.16403	14.2
179.14313	4.4
179.17981	3.9
187.14822	3.6
189.16460	7.0
191.17934	10.5
193.15865	3.8
193.19510	2.2
199.14857	1.6
201.16391	2.3
203.17979	7.6
205.19518	5.7
207.17456	3.9
215.17946	2.4
217.19565	7.6
219.21085	3.3
221.19057	5.0
229.19437	4.1
231.21124	5.7
233.19075	1.7
233.22652	2.6
235.20593	4.1
245.22696	2.8
247.20528	1.9
257.22415	1.9
259.24289	1.5
271.24167	3.1
273.25748	2.0
277.25159	2.4
285.25955	3.3
287.27509	1.7
289.25214	2.5
300.46466	1.4
301.29004	1.4
313.28821	1.5
315.30603	1.8
345.31339	1.7
353.86703	1.5
371.33490	1.5
409.38321	15.5
427.39374	78.3
428.33691	6.5
428.39767	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	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.8
53.36150	2.8
55.05512	13.0
57.07071	5.3
67.05511	31.3
69.03448	3.7
69.07072	23.2
71.04989	12.1
79.05502	21.7
81.03428	11.6
81.07065	83.2
83.05000	4.3
83.08626	12.8
83.26926	2.8
85.06551	28.4
91.05466	15.2
93.07053	46.8
95.04916	5.9
95.08611	100.0
97.02897	6.7
97.06506	4.2
97.10193	6.8
105.07036	44.2
107.08598	64.3
109.06568	3.8
109.09399	3.7
109.10155	58.2
111.08088	10.0
111.11674	4.4
119.08585	46.2
121.06495	3.4
121.10126	44.9
123.08053	3.7
123.11726	30.5
127.03908	5.8
131.08585	14.9
133.10143	42.7
135.11700	32.1
137.13261	12.6
139.11241	4.6
143.08549	4.3
145.10123	26.8
147.11703	42.0
149.13266	55.7
151.11156	2.9
151.14806	3.9
157.10184	9.5
159.11694	23.6
161.09555	3.9
161.13286	34.3
163.11227	5.0
163.14859	17.7
171.11731	9.4
173.13266	14.0
175.14809	25.0
177.12794	4.2
177.16377	14.5
185.13293	8.0
187.14804	16.6
189.16422	22.7
190.49007	3.1
191.10654	3.9
191.17964	5.9
193.15909	11.4
197.13068	4.0
199.14891	6.9
201.16417	13.9
203.12750	7.0
203.17932	19.1
205.15933	11.2
207.17500	16.8
213.16472	5.0
215.17899	7.2
217.16087	3.7
217.19624	6.9
218.44521	2.7
219.17552	8.4
221.18991	6.3
231.17516	8.4
233.18948	3.9
235.20587	4.1
243.21022	3.5
255.15564	3.6
255.21078	6.8
261.22385	3.7
269.22858	4.6
369.31516	7.6
391.33682	7.0
397.34387	3.6
409.34698	42.6
427.19736	13.8
427.35989	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	426.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.9
55.05502	4.4
61.57263	0.7
67.05505	4.8
69.03431	4.0
69.08271	0.7
69.86000	0.6
70.06567	3.1
70.49816	0.6
71.04961	1.4
71.05544	1.8
79.05468	2.0
81.03390	2.3
81.07054	6.0
82.06573	25.9
83.04955	1.1
84.08138	1.8
85.02895	2.1
85.06505	0.7
89.18858	0.7
91.05460	1.0
93.07005	2.0
95.01322	1.8
95.04948	7.1
95.08549	0.7
96.08122	3.6
97.06501	0.8
100.07591	2.1
107.04934	1.1
109.06510	5.1
118.15076	0.6
119.04908	0.8
119.08602	0.8
121.06483	1.4
124.07581	14.9
125.09632	1.9
128.07068	92.8
129.07411	1.5
129.10277	1.1
131.08548	0.9
135.11731	0.8
137.05984	4.7
139.07552	1.2
142.08623	47.5
143.10686	2.7
150.07736	23.3
150.08961	1.1
159.11679	1.2
165.05504	6.3
178.04979	1.4
188.09169	100.0
189.09535	1.5
208.55855	0.7
221.11919	0.9
231.41020	0.6
240.28320	0.8
252.19077	0.7
295.11578	4.5
364.21442	1.8
426.21371	25.8
426.26935	1.5
427.21573	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22671	1.1
53.71254	1.1
55.05503	7.1
57.07078	9.4
67.05180	1.7
67.05505	18.7
69.03421	1.4
69.07070	12.9
71.04985	1.2
71.52482	1.3
71.52891	2.0
73.28654	1.2
73.29027	1.2
76.98786	1.2
79.05492	8.9
81.03418	1.8
81.07055	66.9
83.08621	6.4
91.05475	5.4
93.07030	12.9
95.04949	1.2
95.08608	100.0
96.08930	2.7
97.06527	1.2
97.10157	2.8
101.06049	1.3
105.07037	9.1
107.08606	16.7
109.10157	26.1
110.10516	1.3
111.08038	1.3
111.11678	1.9
113.09650	1.2
119.08576	10.0
121.10137	12.4
123.11696	23.1
129.06978	1.4
129.16321	1.4
131.08578	7.3
133.10162	7.6
135.11687	10.0
137.13252	65.6
138.13609	1.4
143.08546	2.3
145.10080	6.2
147.11690	5.4
149.13280	8.0
151.14842	3.8
157.10190	3.3
159.11694	5.8
161.13235	4.3
163.14815	4.5
169.10016	2.6
171.11690	5.0
173.13283	5.1
175.14972	2.6
177.16376	1.3
179.17903	1.3
183.11806	1.2
185.13286	2.7
187.11150	1.9
187.14857	3.7
189.16364	1.7
191.14360	1.3
191.17981	1.8
193.19528	3.0
199.14836	3.5
201.16344	2.9
203.14316	1.6
203.17900	2.5
205.15779	1.3
205.19495	1.6
213.16405	2.6
215.17999	2.2
217.15831	1.3
217.19489	1.9
229.19577	1.2
231.21046	1.2
232.71283	1.3
239.17989	1.7
241.19551	7.4
259.20538	6.4
271.20456	1.6
277.21658	4.1
285.22421	1.7
373.65396	1.2
391.33694	2.6
409.34705	4.7
427.19971	1.4
427.31064	1.5
427.35815	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14050	0.2
55.05500	0.3
55.83605	0.2
58.57733	0.2
60.04517	0.3
67.04246	0.3
67.05496	0.9
69.03421	1.1
69.43484	0.3
70.06585	1.1
71.17479	0.3
71.17807	0.3
79.05482	0.4
81.03407	1.0
81.07053	2.1
82.06573	10.5
84.08132	1.0
85.02897	0.4
91.05499	0.5
93.07039	0.3
93.16106	0.2
95.01314	0.7
95.04968	2.8
97.06535	0.3
100.07607	3.3
105.07043	0.3
109.06513	2.4
119.05000	0.3
121.06512	0.3
123.04441	0.3
128.07069	100.0
129.07439	1.7
129.40140	0.2
129.91626	0.3
137.05969	2.3
139.07518	0.5
142.08629	15.2
143.08966	0.3
145.02786	0.3
147.04350	0.3
165.05469	3.1
166.10315	0.3
172.32268	0.3
177.05507	0.6
178.05034	0.8
188.09172	61.3
189.09560	1.4
264.05151	0.3
264.12332	0.7
376.53302	0.3
426.21210	16.7
427.21796	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.4
60.46478	0.4
67.05490	1.8
67.43973	0.4
69.03432	2.1
70.06581	2.6
70.54934	0.9
70.55326	0.8
71.04983	0.7
72.08141	0.5
76.20102	0.4
79.05488	2.0
81.03409	1.9
81.07054	4.3
82.06577	20.7
84.04464	0.4
84.08126	1.2
85.02870	1.0
86.09721	0.7
86.44399	0.4
91.05475	1.3
93.07041	1.3
95.01311	1.7
95.04971	5.4
96.08131	3.4
98.21423	0.5
100.07603	0.9
105.06989	0.6
106.94032	0.4
107.08619	0.5
109.06524	4.5
113.22432	0.4
117.07034	0.5
118.51197	0.4
119.08585	0.7
120.08083	0.4
121.06459	0.8
124.07586	12.6
125.09624	1.1
128.07074	82.1
129.07471	1.9
129.10222	0.4
135.11555	0.4
137.05948	3.2
139.07538	1.7
141.85100	0.4
142.08629	42.1
143.08948	1.0
143.10654	1.3
147.11670	0.7
150.07745	20.0
155.07080	0.6
160.07629	0.4
165.05484	5.9
166.12943	0.5
183.06657	0.4
188.09177	100.0
189.09549	2.7
221.11642	0.6
234.52516	0.5
295.11505	4.0
364.21130	1.4
380.20578	0.6
397.71326	0.4
408.20160	1.0
426.21280	29.3
427.21503	1.9
430.16119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01851	0.9
55.05512	0.6
56.01395	0.4
56.05020	0.3
57.03417	0.5
57.07063	0.9
58.99347	0.3
58.99591	4.3
59.05003	5.3
59.99599	0.3
61.01131	1.0
67.05486	1.2
69.03415	0.9
70.06595	1.8
70.67025	0.9
71.04978	0.3
72.08141	0.7
73.01116	1.0
74.00658	0.7
74.02435	0.4
74.37655	0.3
76.04022	0.3
79.05453	0.5
80.05001	0.7
81.03419	0.8
81.07065	0.3
84.04494	0.5
84.08128	0.4
85.02907	0.7
85.06519	1.0
86.00658	3.9
86.09696	1.3
86.99062	1.9
88.02219	3.1
91.05447	0.6
95.04960	0.5
95.08591	0.4
97.02901	0.5
100.03982	1.2
104.01675	0.5
105.03383	0.5
106.06532	0.4
107.04948	0.4
108.04479	0.6
108.59501	0.3
109.10136	1.0
110.06085	0.4
110.07164	0.6
111.04469	0.4
113.01712	1.1
114.03841	0.3
114.05634	0.4
116.01681	4.1
117.06973	0.3
118.61363	0.3
119.08568	0.7
120.04465	6.6
120.08062	0.4
121.02848	2.7
124.02161	0.7
124.07584	0.4
128.03432	1.7
129.97154	0.3
131.02721	0.9
132.01163	0.6
132.04448	1.4
133.05241	0.9
134.00615	0.5
134.04903	0.4
134.06004	1.3
136.02158	0.9
136.03911	2.3
136.06190	0.9
141.01176	0.9
142.08667	0.4
146.06018	1.2
147.05569	2.3
148.03915	1.6
150.05458	0.4
152.01653	12.9
157.00671	0.7
158.04782	0.4
159.02222	3.3
160.00645	6.0
160.07567	0.6
161.04713	0.7
162.00084	0.5
162.02263	0.4
163.05032	5.4
164.01726	0.7
166.03238	0.5
171.05583	0.4
173.07111	0.9
173.11650	0.5
176.01646	1.1
176.07004	1.5
177.02496	0.6
177.99602	4.0
178.01913	0.7
178.03221	4.9
178.04993	1.3
178.08705	0.7
179.02733	0.4
187.01677	1.4
187.03308	0.8
187.04955	0.6
188.03961	0.9
188.05731	0.4
189.04744	0.4
192.04781	1.1
193.04289	0.5
194.02722	1.1
195.02287	0.9
196.05980	0.4
201.06575	0.4
203.02736	8.1
204.03503	6.0
204.10231	0.7
205.04318	1.2
219.02193	4.9
221.03792	20.7
222.04100	0.5
222.11259	0.7
229.14362	2.0
233.03763	0.8
247.07217	2.3
267.04315	0.5
270.08179	1.4
278.05899	3.6
281.05780	0.4
287.08484	0.6
288.09079	0.6
289.93445	0.3
294.11575	0.4
304.12143	0.4
305.09534	1.2
306.05588	0.7
323.10587	3.0
324.06467	9.7
325.06815	0.6
331.12875	0.9
349.13739	0.4
362.11932	0.5
370.26669	0.4
380.12711	1.3
390.11179	1.2
395.52170	0.3
408.12222	7.6
408.16965	0.3
409.12738	0.7
426.13281	100.0
427.13519	6.8
427.18796	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.5
55.01871	0.5
55.05508	1.0
57.03428	0.7
58.99572	0.5
67.05498	1.5
68.99805	0.7
69.03435	4.7
69.07034	0.7
70.06594	3.5
72.08144	1.5
79.05478	2.8
81.03410	1.2
81.07053	7.7
84.04514	0.5
84.08139	1.8
85.02895	1.3
85.06532	0.5
86.09699	1.7
91.05485	5.5
93.07056	0.8
95.01307	0.8
95.04984	1.1
95.06090	0.6
95.08598	0.8
97.02946	0.7
105.03384	1.0
107.05000	0.6
107.08607	0.5
109.02876	0.9
109.05817	0.6
109.06522	8.0
109.10138	1.6
119.04912	2.5
120.08089	1.9
121.02843	0.9
123.00785	1.6
127.03900	0.6
129.10211	0.6
130.06516	1.1
131.07286	0.7
132.08099	0.8
136.06171	1.3
136.07579	0.9
137.05977	14.0
141.01802	1.1
142.08562	0.5
144.08060	1.6
145.02846	0.8
146.05969	0.5
146.09624	0.8
147.04422	0.8
152.01653	1.0
158.05997	0.6
159.06799	4.7
160.07469	0.8
163.03915	9.7
163.05214	0.8
165.05475	54.3
172.07527	2.9
173.08363	12.1
174.09134	10.0
178.05023	0.8
184.07687	0.4
196.05984	0.7
200.07065	27.8
207.06563	0.5
218.08119	100.0
219.08455	2.6
221.03798	1.3
229.14362	2.2
324.06509	0.7
334.81400	0.5
354.13342	1.0
382.12833	31.3
383.12979	1.3
408.11877	0.5
408.22687	0.7
426.11929	35.9
427.12231	1.3
434.20242	0.5
449.13385	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1029
Annotation	6-hydroxyindole-3-carboxylic acid 6-O-(6'-malonyl)beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.46918	0.2
53.03954	0.9
55.01861	0.6
57.03422	0.5
61.02914	0.4
67.05475	0.3
67.13047	0.2
67.80064	0.2
68.99780	0.3
69.03428	2.9
69.07059	0.4
69.46239	1.1
70.06593	1.3
71.01363	0.1
71.04965	0.6
72.08154	0.4
73.02912	0.6
74.06081	0.2
79.05470	0.2
81.03417	3.3
81.07056	0.2
84.04501	0.3
84.08126	0.4
85.02903	3.8
86.03248	0.2
86.09706	0.8
87.00822	2.1
87.85593	0.2
91.03967	0.2
91.05474	0.5
93.07032	0.3
94.06554	0.3
95.04978	0.2
95.08627	0.2
97.02882	1.7
97.10194	0.2
99.04458	1.3
104.04980	0.7
105.01870	0.8
105.03382	0.3
105.07026	0.2
109.02876	2.4
109.06520	0.2
109.10149	0.2
117.01813	0.3
120.08103	0.3
121.02814	0.2
122.06005	0.5
126.34946	0.2
127.03915	3.2
129.01842	0.4
132.04449	4.9
132.08119	0.2
133.05156	0.2
136.06171	0.5
138.09105	0.5
142.08698	0.2
143.07085	0.3
143.10622	0.3
145.04962	0.8
146.24164	0.2
147.04442	0.2
148.07542	0.4
151.03874	0.2
159.02928	1.2
159.04057	0.2
160.03975	0.3
161.08076	0.3
166.08650	1.4
178.04988	100.0
179.05348	2.3
179.37524	0.1
180.10204	0.3
196.06119	0.2
207.06645	0.2
213.03952	0.3
216.44334	0.2
231.05002	0.5
250.49631	0.2
267.15836	0.2
285.16858	0.2
313.15503	0.2
340.10281	0.5
408.16684	0.5
408.22327	0.3
426.09610	1.2
426.19012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05508	21.7
57.07070	16.9
66.11307	2.9
67.05505	33.4
69.07070	52.9
70.66061	7.4
70.66439	4.8
71.08606	3.7
73.05996	3.0
79.05484	26.7
79.39514	3.6
81.07057	96.5
83.04961	3.3
83.08621	22.1
85.64527	3.6
87.81424	3.2
91.05464	13.4
93.07047	45.8
95.04979	4.6
95.08609	100.0
97.10155	15.2
103.05441	3.5
105.07032	39.7
107.07886	5.5
107.08592	73.1
109.06496	5.9
109.10154	81.1
111.11749	6.8
114.70035	3.4
119.08573	47.6
121.09335	5.1
121.10142	61.3
123.08049	9.0
123.11694	37.5
125.09669	7.8
131.08565	12.0
133.10144	38.1
135.11690	48.0
137.09578	4.2
137.13266	22.3
139.11172	3.2
143.08580	5.3
145.10147	19.6
147.11684	45.4
149.13274	34.1
150.13599	3.7
151.58961	3.1
154.46756	2.9
157.10132	5.2
159.11716	18.2
161.13269	29.8
161.14546	4.6
163.11102	7.2
163.14809	21.2
171.11633	6.4
173.13255	12.8
175.14786	15.5
177.16367	9.0
187.14836	16.2
189.16414	20.7
189.71196	3.8
191.17886	17.0
199.14760	5.8
201.16313	11.1
203.17979	26.9
205.15843	8.4
205.19507	8.7
207.17455	11.4
213.16336	4.1
215.17923	9.4
217.19490	10.6
219.21097	6.7
229.19528	7.9
231.17540	5.7
231.20967	6.9
243.21133	6.4
257.22632	4.6
262.18933	3.1
271.20563	5.2
271.24261	5.8
285.25720	3.5
300.65637	3.9
325.29041	8.9
343.30145	4.5
361.45572	4.2
369.31067	4.9
407.36890	24.2
408.37305	4.7
425.38150	74.0
426.38223	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	425.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	2.2
55.05516	18.3
55.88776	2.0
57.07066	9.0
59.98656	1.8
62.22734	1.9
64.78488	2.0
67.05508	37.1
69.03403	1.8
69.07073	27.5
71.04980	2.7
71.53310	4.0
77.48277	2.2
79.05496	20.3
81.06591	3.5
81.07057	69.0
81.31614	1.9
83.08617	13.5
85.06534	3.6
87.64818	1.9
91.05484	19.6
93.07046	46.8
95.04978	2.0
95.08612	100.0
96.08965	2.7
96.39797	2.0
97.06519	5.7
97.10185	9.4
99.08092	2.9
105.07034	33.6
107.07878	4.1
107.08589	71.6
109.06455	2.5
109.10156	81.7
111.08057	3.5
111.11697	4.0
113.09641	5.3
117.06990	3.0
119.08583	39.2
121.10139	53.3
123.08046	2.4
123.11716	28.7
125.09624	6.5
127.11218	4.7
131.08551	9.6
131.53172	1.9
133.10133	35.5
135.11694	43.1
137.09619	2.2
137.13257	15.5
141.07051	2.0
143.08559	4.1
145.10159	13.6
147.11681	29.7
149.13254	31.9
151.14798	3.1
157.10083	5.8
159.11693	23.5
161.13237	32.5
163.11266	2.4
163.14822	23.4
165.12732	3.8
169.10083	2.8
171.11748	3.3
173.13249	12.1
175.14861	13.9
177.16374	10.7
179.14316	6.2
183.11705	2.6
185.13237	6.2
187.14867	12.6
189.16374	19.0
191.17955	32.0
199.14815	2.9
201.16415	19.6
203.17932	24.0
205.15779	2.7
205.19556	8.4
207.17381	4.2
213.16466	4.2
215.17961	9.6
217.19525	27.8
219.17308	4.7
219.21162	3.3
221.19040	2.9
229.19426	4.7
231.17525	2.6
231.21164	4.1
233.19054	4.1
235.20424	2.3
241.19656	2.6
243.21037	5.0
245.19075	5.0
245.22404	3.4
253.19481	2.7
257.19150	3.1
257.22580	6.8
285.22263	2.1
362.88593	2.1
393.74866	2.0
407.32947	8.4
407.36789	9.4
425.33133	8.2
425.38492	44.7
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
55.01859	2.5
55.05515	17.1
57.07070	10.1
59.05009	3.9
65.03918	2.9
67.05510	42.4
69.07069	30.4
69.40380	23.5
71.04980	3.4
71.08635	2.7
72.38819	2.9
74.47702	2.6
79.05495	23.5
81.07056	82.2
81.13076	2.7
83.04979	3.2
83.08614	18.0
85.06525	9.1
91.05472	19.3
93.07046	46.6
95.04961	4.8
95.08613	100.0
97.06556	5.5
97.10159	12.1
100.88273	3.0
105.07038	44.4
107.08592	77.9
109.06516	3.8
109.10166	90.5
111.11723	5.7
119.08583	52.2
121.10143	63.8
123.08095	6.1
123.11703	41.3
125.09601	4.3
131.08588	13.7
133.10132	38.9
135.07982	4.7
135.11687	50.8
137.13277	18.9
143.08485	5.1
145.10132	21.3
147.11678	36.4
149.13248	32.0
151.11200	4.8
151.14795	4.8
157.10115	4.8
159.11703	23.4
161.13258	32.0
163.14815	19.5
171.11745	4.4
173.13272	9.9
175.14786	13.2
177.16348	13.3
179.14334	6.1
185.13153	4.9
187.14790	7.6
189.16338	19.1
191.17952	43.5
199.14899	3.5
201.16458	17.6
203.17966	40.3
205.19484	11.6
207.17415	5.8
215.17949	12.8
217.19489	27.6
219.17545	2.9
219.21083	4.1
227.17944	5.4
229.19539	3.7
231.21252	4.4
241.64943	3.0
243.21117	4.0
257.22717	4.9
261.22189	4.1
271.24277	3.1
381.25284	3.2
407.37085	18.4
425.38135	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	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03925	2.2
55.05511	19.7
57.07064	8.4
67.05183	2.6
67.05506	35.3
69.03423	3.2
69.07072	25.4
71.04985	3.5
71.08617	1.8
71.53540	3.0
75.67331	1.9
79.05501	18.7
80.70249	2.0
81.07056	83.8
82.07387	2.6
83.08641	12.7
85.06529	3.2
86.35600	1.9
88.86873	1.8
91.05478	16.6
93.06481	3.8
93.07043	52.5
95.04948	2.7
95.08607	100.0
97.06523	7.8
97.10155	8.3
103.05502	2.6
104.27389	1.6
105.07030	34.4
107.08590	75.8
109.06521	2.1
109.10158	73.6
111.08048	3.7
111.11732	3.3
113.09582	2.0
117.07027	4.5
119.08579	43.5
121.10141	59.9
123.08111	2.6
123.11710	32.4
125.09622	7.1
127.11147	2.3
131.04921	7.2
131.08582	9.7
133.10127	38.3
135.11690	44.1
137.09691	2.5
137.13281	22.6
143.08578	2.8
145.10121	17.2
147.11691	30.1
149.13237	31.3
151.11079	2.3
151.14833	3.5
157.10109	2.9
159.11682	17.2
161.13260	30.5
163.11189	2.9
163.14806	23.9
165.12744	4.1
171.11646	3.5
173.13245	11.6
175.14830	18.4
177.12761	2.3
177.16451	9.6
177.41002	1.9
179.14285	5.4
185.13246	3.7
187.14807	6.8
189.16394	21.3
191.17963	35.1
195.17393	1.8
199.14853	3.2
201.16396	14.3
203.17957	27.8
205.15814	2.7
205.19513	8.3
207.17453	7.5
213.16336	3.5
215.17982	11.8
217.19495	26.6
219.17419	2.4
219.20996	3.3
227.17996	2.4
229.19449	4.0
233.19073	4.6
245.22687	4.2
255.21301	2.4
257.22675	4.7
271.24097	2.1
283.24048	2.5
297.25677	2.4
407.37048	14.9
425.38132	45.4
426.38333	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87163	4.5
55.05502	16.0
57.07082	8.8
67.05513	31.2
69.07068	34.5
70.72323	15.2
74.64763	4.5
74.97517	3.7
79.05484	12.5
81.07053	85.9
83.08601	16.6
91.05470	14.7
91.29572	4.4
93.07056	39.5
95.08613	100.0
97.10157	7.6
105.07021	27.2
107.08596	45.6
109.10156	56.4
111.11710	8.3
119.08591	23.4
119.83809	4.1
121.10149	41.7
123.11693	32.9
131.08525	10.1
133.10141	23.3
135.11711	32.6
137.13272	33.0
145.10147	13.7
147.11699	22.7
149.13243	37.4
157.10181	7.3
159.11711	16.0
161.13315	26.0
163.11142	4.8
163.14792	16.4
173.13353	5.5
175.14830	16.9
177.16394	15.2
187.14844	9.1
189.16451	10.4
191.17947	8.6
199.14810	6.3
201.16376	12.8
203.17993	6.6
205.19505	8.5
207.17462	4.5
215.17897	10.0
217.19521	17.3
227.17944	5.0
229.19473	7.3
231.20935	6.4
257.22684	5.7
271.24231	4.7
299.88550	5.2
325.29050	6.1
336.27518	4.4
337.28799	4.7
404.78857	4.2
407.36926	24.0
425.38190	62.1
446.91931	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	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05505	17.3
57.07068	9.8
57.61042	4.3
58.67543	4.3
65.23531	4.4
67.05511	33.0
69.07069	26.7
71.03642	6.6
79.05501	22.8
81.07056	64.9
83.08614	17.5
91.05491	9.4
93.07041	48.2
95.04987	5.3
95.08607	100.0
95.93626	4.2
97.10183	10.2
99.56837	4.6
105.07023	30.8
107.08591	69.0
109.10153	84.5
117.06966	6.2
119.08582	30.3
119.37726	5.3
121.10157	53.4
123.11710	34.6
131.08549	8.1
133.10147	25.7
135.08090	6.5
135.11716	36.9
137.13269	22.2
143.08665	7.0
145.10133	15.4
147.11665	22.2
149.13281	33.6
151.14803	6.3
159.11734	15.7
161.13266	18.2
163.11169	12.1
163.14810	21.4
165.12701	5.8
173.13181	8.3
175.14841	8.8
177.12807	5.3
177.16383	8.2
187.14841	11.7
189.16348	13.0
191.17996	14.2
197.41698	4.9
199.14862	9.0
201.16429	11.1
203.18004	14.8
205.15906	9.3
205.19611	13.9
207.17444	9.1
213.16455	6.0
215.18044	7.5
217.19586	10.9
219.17363	5.8
219.21025	7.3
219.86011	5.2
229.19437	10.9
231.17477	13.4
233.19165	7.1
258.38071	5.1
271.20645	5.7
407.36798	12.8
425.38391	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05518	8.3
57.07088	8.4
67.05193	1.1
67.05514	18.5
69.07067	15.9
70.74457	3.5
71.08627	1.4
73.59557	1.3
75.32977	1.1
79.05505	10.9
81.07058	67.8
83.08627	9.5
84.97974	1.1
89.06010	1.2
91.05462	8.5
93.07039	17.5
94.07333	1.3
95.08607	100.0
97.10172	2.0
103.30132	1.2
105.07033	14.2
107.08606	20.8
109.06542	2.5
109.10154	32.3
111.08092	2.2
111.11736	1.7
117.06959	1.7
119.08575	13.4
121.10138	19.3
123.11696	17.5
125.13231	1.7
131.08617	6.3
133.10138	12.9
135.11700	12.8
137.12181	2.7
137.13254	54.3
141.67334	1.5
143.08546	3.2
145.10107	9.8
147.11702	9.3
149.13281	11.5
151.14793	3.4
157.10123	3.4
159.11681	8.8
161.13289	8.3
161.75658	1.4
163.14816	7.3
171.11690	2.2
173.13284	5.9
175.14839	4.6
177.16411	4.6
179.17885	2.0
184.84409	1.2
185.13228	4.2
187.14842	7.5
189.16382	5.6
191.17937	4.4
193.19484	1.7
199.14812	1.3
201.16389	5.0
203.18015	3.4
205.19490	1.8
213.16359	4.9
215.18001	3.1
217.19514	5.0
219.17441	1.6
227.17982	3.7
229.19553	4.3
231.17357	2.7
231.21007	1.3
241.19409	1.3
255.20950	3.0
257.22632	6.2
269.22635	3.8
273.22043	1.6
287.23767	2.4
318.15616	1.4
345.11182	1.2
407.36932	7.3
411.11639	1.3
425.38138	21.8
426.38635	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05513	6.1
65.37248	3.5
67.05502	17.0
69.07063	16.8
70.47458	3.6
79.05499	4.9
81.07055	35.6
83.08596	12.4
91.05473	9.8
93.07046	17.9
95.08608	63.0
105.07059	12.2
107.08575	29.6
109.10142	40.9
111.11717	8.4
119.08546	19.2
121.10109	35.3
122.34235	4.1
123.11708	21.5
131.08505	5.0
133.10152	15.8
135.11696	21.9
137.13257	10.8
145.10123	7.2
147.11671	11.9
149.13298	12.9
157.56706	4.2
159.11708	6.0
161.13254	10.6
163.14842	11.5
173.13264	5.8
175.14857	5.0
177.16397	8.4
189.16373	9.6
191.17982	17.2
201.16446	5.8
203.17975	8.6
205.19524	11.4
215.17909	10.1
217.19490	5.3
219.17461	5.0
229.19414	5.7
243.21158	8.2
245.22653	12.1
247.20598	15.0
257.22601	4.9
259.24268	5.4
271.97318	4.5
407.36670	20.8
425.32236	8.2
425.37836	100.0
425.43530	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	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.00665	3.8
55.05501	18.1
57.07067	6.7
61.09073	3.0
67.05502	32.6
69.07063	43.3
69.35325	32.2
72.12082	3.5
76.19899	3.8
79.05480	19.4
81.07056	75.5
83.08610	15.4
91.05463	18.0
93.07045	47.4
95.08607	100.0
97.10147	6.1
105.07013	24.6
107.08590	75.5
109.10158	74.1
111.11729	7.5
117.07030	4.3
119.08578	35.0
121.10148	70.5
123.08016	4.8
123.11713	40.2
131.08560	6.9
133.10132	40.9
135.11714	43.3
137.13266	22.0
145.10121	17.6
147.11688	26.4
147.64859	4.0
149.13248	24.6
156.20659	3.6
157.10155	4.3
159.11726	18.3
161.13243	16.6
163.14841	22.7
165.09717	4.0
173.13312	20.9
175.14833	16.0
177.16356	14.0
185.13287	4.7
187.14841	11.9
189.16399	15.4
191.17865	7.4
201.16367	7.1
203.11606	3.4
203.18050	6.5
215.17934	6.3
217.19551	10.5
229.19504	6.9
231.21127	7.5
236.48302	3.9
243.21146	10.4
245.22655	8.0
255.20987	4.6
257.22638	5.7
259.24222	5.0
269.22684	10.0
271.24222	6.2
285.25888	7.2
329.28311	4.8
392.30780	4.3
407.36597	18.9
425.37750	41.0
439.73645	4.0
449.85464	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	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.01604	1.0
50.04644	1.2
51.79394	1.1
55.05515	7.1
57.07063	2.7
67.05505	18.0
69.06735	1.7
69.07071	21.2
70.23087	1.0
70.73531	1.6
70.73872	2.4
74.16411	1.2
79.05502	6.5
81.07056	37.7
83.08622	6.1
91.05455	6.3
91.34027	1.0
93.07042	19.8
95.04960	1.5
95.08605	65.0
95.32288	1.1
97.06533	3.8
97.10161	4.9
105.07035	15.1
107.08589	33.3
109.10155	44.5
111.08070	3.0
111.11732	5.8
117.06985	2.1
119.08580	21.9
121.10135	30.1
123.08079	2.7
123.11697	16.8
131.08586	3.9
133.10100	16.1
135.11696	22.0
137.09691	1.1
137.13252	13.3
142.42805	1.2
145.10147	5.5
147.11688	12.9
149.13284	9.1
151.11211	1.7
159.11658	6.4
161.13240	11.6
163.14836	11.4
171.11665	1.4
173.13290	6.0
175.14796	6.0
177.16412	5.2
179.14314	3.3
179.17966	1.4
185.13257	1.8
187.14796	3.8
189.16376	9.1
191.17929	13.5
201.16425	4.0
203.17938	6.4
205.19489	8.1
207.17488	4.4
215.17967	7.2
217.19502	7.3
219.17592	1.1
219.21170	1.3
227.18011	1.5
229.19565	3.3
231.21066	3.1
233.18977	3.6
243.21111	6.3
245.22606	7.4
247.20535	10.1
255.21031	1.3
257.22491	2.5
259.24249	2.4
261.22195	2.1
269.22705	2.9
271.24182	3.4
273.25662	1.4
274.22739	1.0
285.25812	2.5
287.23636	2.1
289.25253	1.2
297.25836	1.5
311.27246	1.8
313.29187	1.2
329.28320	1.6
407.36646	16.6
408.37149	1.6
425.37762	100.0
426.38181	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	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
54.11916	2.8
55.05515	19.4
57.07066	7.9
67.05505	33.3
67.29291	3.1
69.06766	3.7
69.07067	32.3
70.73987	6.1
70.74332	7.1
79.05495	17.5
81.07045	63.9
83.08621	20.6
91.05489	19.5
93.07043	49.9
95.08604	100.0
96.08916	4.4
97.10155	9.1
105.07030	38.2
107.08592	85.6
109.06522	3.5
109.10158	96.7
111.11704	4.6
119.08566	50.7
121.10142	77.0
123.08072	7.8
123.11712	43.1
131.08565	7.4
133.10127	70.6
135.08160	3.8
135.11694	73.5
136.59810	3.5
137.13290	22.1
145.10104	11.8
147.11693	41.1
149.13258	25.7
151.14781	7.0
157.10031	3.8
159.11705	18.7
161.13263	36.5
163.14835	27.2
171.11682	4.8
173.13242	12.7
175.14836	19.8
177.16389	17.1
179.14243	9.1
185.13268	4.6
187.14803	8.7
189.16414	24.3
191.17924	33.0
199.14738	6.6
201.16362	8.0
203.17947	25.2
205.19368	7.4
207.17445	7.0
212.07948	3.8
215.18010	9.1
217.19514	27.2
229.19342	8.1
231.21091	4.5
240.21529	3.6
253.19633	3.7
255.21065	4.4
294.07932	3.5
297.25586	4.4
315.26746	4.6
407.36917	22.4
425.38068	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	10.2
57.07064	4.7
58.55014	1.7
63.57943	1.7
67.05506	23.7
69.07066	15.6
71.04980	3.4
71.54710	2.2
74.22549	1.6
77.62186	1.7
79.05494	11.9
81.07056	71.9
83.04978	1.9
83.08605	10.4
91.05459	10.3
93.07046	26.5
95.08607	100.0
96.08910	3.0
97.06552	1.9
97.10177	4.0
105.07029	21.9
107.08600	34.6
109.06511	3.1
109.10151	38.6
110.63079	1.7
111.08105	4.9
113.09654	9.0
117.07037	3.8
119.08575	23.4
121.06529	2.5
121.10139	30.8
123.08057	2.0
123.11700	20.4
131.08560	7.5
133.10138	20.9
135.11679	22.0
137.13255	48.5
143.08577	3.0
145.10120	11.4
147.11678	17.5
149.13281	15.3
151.11188	2.0
151.14827	5.5
157.10118	5.0
159.11710	13.2
161.09637	2.1
161.13249	14.9
163.11162	2.1
163.14844	9.8
164.35440	1.8
165.12766	3.0
171.11703	5.5
173.13216	9.3
175.14842	11.0
177.16379	8.6
179.17961	2.3
185.13217	5.6
187.14803	15.1
189.16342	12.7
191.17912	10.6
193.19466	2.7
199.14792	4.5
201.16356	12.4
201.19627	2.5
203.17932	10.3
205.19485	3.8
207.17409	2.1
211.14711	2.8
213.16370	5.0
215.17947	9.8
217.15880	2.1
217.19492	9.8
219.17499	4.6
227.18098	2.4
229.19524	5.9
231.17561	2.7
231.21049	2.8
243.21144	5.0
245.19029	2.4
255.21008	2.9
257.22632	3.2
264.70755	1.9
273.22192	2.2
285.22034	2.3
313.25226	4.1
353.28275	4.2
367.33527	8.5
407.32553	8.8
425.33075	28.1
425.38181	12.2
426.34659	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03933	1.5
55.05504	12.4
57.07073	9.8
65.03945	2.0
67.05184	2.1
67.05511	34.4
69.06729	2.6
69.07073	34.3
70.78165	4.1
71.04991	2.3
71.08641	3.2
79.05484	14.1
81.07058	58.8
83.08630	12.0
85.06544	6.1
91.05474	16.0
93.07049	35.2
95.04983	2.8
95.08611	100.0
96.08960	2.0
97.06519	2.7
97.10186	5.8
103.37001	1.5
105.07037	30.9
107.08594	48.5
108.08992	1.7
109.10159	77.2
110.10487	2.9
111.08080	3.7
111.11726	7.0
113.09639	10.7
117.07046	3.5
119.08589	35.1
121.06503	2.0
121.10144	39.5
123.08066	2.8
123.11720	30.2
128.06348	1.5
129.07019	2.5
131.08598	9.5
133.10130	30.1
135.08060	3.2
135.11697	35.4
137.09637	7.4
137.13260	25.0
143.08563	6.1
145.10144	18.7
147.11690	21.0
149.13257	22.2
151.11212	4.3
151.14828	2.1
157.10143	6.7
159.11691	19.1
161.05989	3.0
161.13240	16.6
163.11324	1.7
163.14862	14.2
165.12773	2.1
169.10106	3.4
171.11652	5.4
173.13280	15.4
175.14815	11.7
177.16405	9.5
179.14433	1.9
179.18030	1.8
185.13297	7.4
187.14876	11.0
189.05531	2.9
189.16377	17.0
191.03360	1.4
191.14333	2.6
191.17909	13.3
193.04984	5.2
199.14835	5.6
201.16365	17.0
203.14363	2.1
203.17932	10.1
205.05101	1.8
205.15868	6.8
205.19495	16.1
207.17491	5.1
213.16409	3.3
215.17958	9.9
217.05002	2.1
217.19449	7.9
219.17516	5.0
219.21101	6.4
227.17967	4.2
229.19507	7.8
231.17412	2.4
231.21066	1.8
233.19067	4.3
241.19608	3.3
243.21120	3.4
245.19113	1.7
245.22501	1.9
245.92915	1.6
247.20418	1.9
255.21103	3.3
257.22693	3.7
269.22778	3.9
273.22021	2.4
273.25726	1.6
277.10712	6.7
285.25900	1.6
291.12253	1.7
301.25317	2.5
313.25305	3.5
339.15845	2.5
341.13879	2.3
353.28421	3.1
353.80289	1.6
365.32266	2.9
407.32858	7.6
407.37558	12.6
425.22971	7.2
425.33279	11.7
425.38486	54.4
426.38223	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	425.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.05513	8.4
57.07080	7.4
59.04977	1.7
59.75574	1.6
67.05503	22.7
69.07069	16.3
69.37375	10.6
71.43427	1.5
71.78796	1.4
79.05490	13.9
81.07058	58.8
83.04975	1.6
83.08624	9.9
85.06562	1.7
91.05476	11.5
93.07042	24.3
95.04986	2.3
95.08607	100.0
97.06520	3.2
97.10168	3.3
98.21521	3.4
99.08112	1.8
105.06376	2.9
105.07031	23.5
107.08585	37.0
109.06528	2.6
109.10149	36.9
111.08071	4.4
111.11714	1.6
113.09653	10.4
117.06995	3.3
119.08578	31.3
121.10151	31.8
121.11023	1.8
123.08075	3.8
123.11705	22.0
125.09640	2.1
129.09111	1.6
131.08557	6.6
133.10133	24.3
135.11693	24.9
137.13254	48.5
139.11180	1.8
143.08571	4.1
145.10101	13.5
147.11688	18.1
149.09612	1.8
149.13255	15.4
151.14818	3.7
157.10114	5.0
159.11690	15.2
161.13272	13.0
163.11319	1.7
163.14839	6.0
165.12766	2.8
166.22794	1.4
171.11684	6.1
173.13274	13.5
175.14847	11.4
177.16399	9.3
179.17902	2.3
185.13261	5.5
187.14815	17.0
189.16377	12.1
191.14308	2.4
191.17958	7.1
193.19565	2.4
199.14891	2.9
201.16347	13.7
203.14301	1.8
203.17915	8.0
205.15874	3.0
205.19432	2.5
213.16454	5.7
215.18027	7.8
217.15851	2.2
217.19496	12.6
219.17453	3.6
223.86748	1.6
225.16585	1.6
227.18002	2.5
229.19511	5.1
233.18951	1.6
241.19511	2.0
243.21039	3.5
245.18976	2.1
255.21118	2.2
257.22647	3.7
271.20691	1.5
285.22266	1.6
311.27267	2.0
313.25327	5.5
353.28357	3.0
367.33682	8.1
389.31830	4.2
407.32684	14.9
407.37576	2.1
408.33270	2.3
425.33215	26.3
425.38391	10.4
426.34158	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05503	13.6
57.07072	11.5
62.07500	2.6
66.17529	2.1
67.05503	27.1
69.07065	26.1
71.53355	3.1
79.05531	10.5
81.07057	54.9
83.08611	11.6
91.05531	8.2
93.07032	27.7
95.08606	86.1
97.06571	2.9
97.10202	5.3
105.07030	42.1
105.07664	3.6
107.08594	52.9
109.10153	70.8
111.08139	5.0
111.11784	3.3
119.08580	48.4
121.10133	38.5
123.11710	27.6
131.08630	11.1
133.10126	44.3
135.11679	33.3
137.13239	19.3
141.27563	3.1
143.08667	3.6
145.10147	15.8
147.11684	48.8
147.12776	3.0
149.13272	23.2
151.14891	5.4
157.10214	4.3
159.11699	17.7
161.13255	44.3
161.14404	3.2
163.14813	18.9
165.16472	2.8
171.11792	5.8
173.13252	12.2
175.14844	19.6
177.16411	11.9
179.14372	4.8
185.13344	4.3
187.14944	11.8
189.16429	14.1
191.14490	3.8
191.17931	14.6
197.13365	3.7
199.15010	4.3
201.11084	2.3
201.16513	9.5
203.17961	53.3
205.16026	10.3
205.19620	5.4
213.16495	4.9
215.17952	11.8
217.19485	25.6
219.21268	2.6
225.16447	2.8
227.18019	4.3
231.21115	5.2
245.22806	7.8
255.21240	5.7
257.22705	4.9
259.21060	3.1
259.24368	3.9
269.22891	5.5
287.23996	3.4
289.33139	2.5
297.25845	3.6
407.32684	3.3
407.37057	25.9
425.38123	100.0
426.38275	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85866	1.2
53.03924	3.2
55.05508	7.4
56.96458	1.2
57.07060	5.3
65.03921	2.1
67.05502	25.4
69.07065	14.9
69.62994	8.1
70.86568	1.4
71.08611	1.3
75.25230	1.2
79.05487	10.7
81.07053	66.7
81.07533	3.2
83.08625	8.6
91.05480	13.1
93.07040	26.7
95.04967	2.1
95.08604	100.0
96.08926	2.1
97.06499	1.7
97.10149	3.6
105.07027	20.7
106.94941	1.2
107.08591	40.8
109.06521	2.2
109.09395	1.7
109.10150	35.7
111.08095	7.0
111.11708	3.6
113.09632	13.1
117.06989	4.0
119.08583	26.8
121.06481	1.8
121.10135	33.0
123.08092	1.7
123.11700	23.5
127.58528	1.4
129.07048	1.7
131.08583	8.0
133.10118	25.8
135.11685	22.2
137.13249	43.4
143.08516	3.3
145.10126	13.0
147.11691	19.1
149.09610	1.4
149.13261	13.1
151.14748	4.2
156.09349	1.7
157.10097	4.6
158.10919	2.4
159.11690	16.2
161.13261	13.7
163.11165	1.6
163.14793	5.2
165.12750	4.2
169.10118	2.6
171.11671	5.5
173.13243	11.1
175.14835	11.6
177.12727	1.3
177.16325	8.8
179.17964	2.5
183.11682	1.5
185.13304	5.0
187.14792	13.5
189.16403	12.1
191.14273	2.0
191.17876	6.8
193.19469	3.0
197.13367	1.5
199.14722	6.4
201.16362	10.7
203.14276	1.6
203.17952	7.9
205.15938	3.2
205.19550	4.5
211.14720	1.5
213.16396	4.5
215.17892	10.1
217.15828	2.7
217.19572	10.3
219.17467	3.1
219.21040	2.0
225.16299	1.8
227.17859	3.6
229.19511	4.7
231.21112	2.9
233.18990	1.4
237.16391	1.7
239.18102	1.5
241.19536	2.4
245.18938	2.6
247.20369	1.8
255.21082	3.1
257.22638	3.0
269.22607	2.8
271.20523	2.5
271.24249	1.5
273.22162	1.4
275.23715	1.4
283.23959	1.6
285.22040	2.1
313.25214	3.5
335.27319	1.4
353.28174	4.3
367.33612	10.1
389.32034	3.2
407.32785	16.0
407.37653	2.1
425.33212	26.5
425.38193	9.7
426.34116	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	425.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.9
55.05483	1.0
56.05009	1.0
56.91026	0.4
57.03421	0.8
58.06599	7.0
60.04211	0.4
60.04501	1.8
65.03928	0.6
67.05503	2.2
68.04992	0.4
69.03432	3.2
69.07063	1.3
70.06587	9.4
70.45909	0.4
71.04976	1.8
71.52515	0.6
71.52882	0.4
72.04463	0.6
72.08132	1.6
74.06052	1.2
79.05470	0.6
81.03410	1.3
81.07030	2.3
82.06557	1.2
83.04980	0.6
83.06110	0.5
84.04474	1.3
84.08139	47.6
85.02909	3.4
85.06548	0.5
86.09705	2.4
91.05454	1.5
93.07043	0.9
95.01270	0.5
95.04975	2.1
95.08598	2.7
97.02872	1.6
97.06479	0.5
98.97569	0.4
99.04432	0.9
100.07604	4.1
102.05523	0.7
105.03391	1.1
105.06971	1.0
107.04939	1.5
109.02863	1.7
109.06528	1.8
110.07153	1.5
110.09679	0.5
112.08743	0.5
115.05462	0.5
116.07058	0.5
118.06567	0.7
119.04895	1.2
120.08083	3.1
121.02893	0.6
121.10146	0.5
124.03905	0.5
124.07593	1.0
126.05504	1.7
127.03901	2.0
127.04913	0.8
127.12305	24.8
128.07092	4.9
128.10724	1.0
129.05559	0.4
129.10225	1.3
130.08623	6.3
133.06461	0.7
133.10133	0.6
135.08017	0.5
136.07584	2.4
136.08508	0.5
137.05977	2.0
137.07935	0.7
141.12608	0.5
142.08620	14.4
144.01097	0.4
145.02824	0.9
145.10042	0.5
146.05989	6.3
147.04402	4.9
147.07999	0.9
149.05853	0.5
159.13751	0.5
160.07579	1.5
164.07022	0.8
165.05478	1.7
169.13316	1.1
170.11752	36.2
171.11989	0.7
173.09520	0.6
177.05473	1.7
178.04921	3.4
186.07526	0.7
187.03885	0.6
187.14410	100.0
188.09169	2.4
188.14757	1.4
189.12714	1.1
207.13838	0.8
245.08035	1.1
245.12787	0.6
263.10431	0.8
264.15939	3.9
272.67267	0.6
287.04816	0.5
294.20587	0.9
297.11694	0.7
319.02164	0.5
339.12900	0.5
393.12881	0.5
425.19971	1.7
425.26450	55.4
426.21094	1.8
426.26852	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	425.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.0
55.01868	2.2
55.05510	14.6
57.03431	5.7
57.06842	0.5
57.07078	4.9
61.02921	1.7
67.05498	2.6
68.99785	3.5
69.03429	15.3
69.07066	60.3
70.06599	1.4
70.07388	0.7
70.65429	1.9
71.04989	7.1
73.02899	0.7
77.04105	0.6
79.05477	1.6
81.03416	43.0
81.07053	6.5
81.61954	0.5
83.04996	3.5
83.08633	2.8
85.02903	36.3
85.99290	0.5
87.00840	1.0
91.05487	1.7
93.07039	4.1
95.04978	1.1
95.08604	6.9
97.02882	8.3
97.06529	2.6
97.10167	7.8
99.03847	1.2
99.04449	15.9
105.07031	1.7
107.04933	0.6
107.08579	3.3
109.02877	43.2
109.10159	2.9
110.03214	0.7
111.08096	3.5
111.11713	9.2
115.03863	0.7
119.08607	1.5
120.08118	1.6
121.10159	5.8
123.11690	0.6
125.09641	3.5
127.03912	100.0
128.04271	1.9
128.06189	0.6
133.10143	1.0
135.11690	1.6
137.09613	1.1
137.13281	1.1
139.11177	9.9
145.04950	5.7
145.10126	0.8
147.11652	1.0
151.11111	0.7
153.01819	0.9
159.11612	1.0
161.09656	0.9
169.10069	0.8
171.02892	0.9
171.08034	0.8
177.05527	0.9
177.16405	3.9
195.17430	8.1
200.39880	0.6
213.03922	24.0
213.18539	0.6
231.04979	0.6
351.12079	0.7
407.16776	0.9
425.21487	1.2
443.22821	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	425.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01874	0.5
55.05493	1.8
56.05033	0.7
57.03448	2.3
57.03670	0.4
59.05006	0.7
65.03935	0.5
67.05505	0.9
69.03427	4.8
69.07052	1.0
69.89316	0.4
70.06590	5.8
70.12695	0.7
70.13091	1.7
71.04986	1.7
72.08155	2.2
73.02911	1.2
79.05476	1.2
79.11940	0.4
81.03429	3.4
81.07038	1.3
83.04970	1.6
83.06056	0.5
84.04496	0.8
84.08157	2.3
85.02905	3.7
86.09707	2.7
87.10024	0.4
88.71226	0.4
91.05470	1.8
93.07037	1.4
95.04951	0.6
95.08588	1.0
97.02866	1.3
97.06544	0.7
99.04453	6.8
103.03943	2.0
104.05300	0.7
105.03393	0.8
105.07024	0.8
107.04981	0.6
107.08573	1.0
109.02876	2.1
109.06531	1.0
110.07158	1.1
111.02575	0.4
117.05490	2.1
119.04940	0.4
119.08561	0.8
120.08117	2.7
121.02862	1.9
121.06471	0.6
121.10134	0.5
127.03925	3.2
129.05470	0.4
129.10268	1.0
130.06505	0.4
131.08545	0.5
132.06841	0.5
133.90730	0.4
136.07565	1.3
139.03882	0.4
145.05032	0.4
145.06367	0.5
146.05956	0.9
146.08372	2.1
147.09166	68.6
148.09525	1.3
159.08008	0.8
159.09174	2.6
160.07571	0.5
160.09935	1.1
161.10765	1.5
163.06042	0.4
177.05502	1.1
177.07555	0.6
177.09068	0.7
178.04932	0.7
189.10262	4.6
194.12561	0.6
195.13962	0.5
202.05220	0.4
213.12273	0.5
219.11296	1.7
233.12910	0.5
245.12857	2.7
263.13940	2.8
281.14951	7.3
305.15073	0.9
323.16019	5.7
363.19159	8.8
364.19293	0.5
365.12491	0.9
365.17087	17.1
366.17413	0.6
407.18082	1.3
425.14355	6.7
425.19177	100.0
426.14191	0.4
426.19504	5.8
445.09930	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.2
69.83404	2.4
69.83805	1.0
79.53223	0.6
81.03414	1.0
82.99854	1.2
84.08125	1.4
97.02876	1.4
98.97566	4.8
101.00869	14.0
109.02853	0.8
109.61349	0.7
110.97566	0.9
112.49006	0.7
113.00864	2.6
116.07071	1.8
116.98594	2.0
119.01917	29.0
120.02002	1.5
124.23037	0.7
127.02419	2.0
128.98608	1.5
129.03938	0.8
131.01895	9.9
133.03447	1.2
137.02948	3.4
139.02429	1.2
143.00200	1.3
143.01888	32.5
144.10196	2.5
145.03448	10.4
147.01379	1.2
147.04974	1.0
149.02940	1.5
155.01881	14.5
157.03444	8.5
158.03705	1.0
158.99664	0.8
161.02954	59.6
162.03104	1.3
163.04486	1.5
167.01883	7.4
169.03477	3.7
170.99673	0.7
171.04991	2.9
173.01413	1.3
173.02954	23.7
175.04546	2.0
177.00670	1.1
179.01910	3.0
179.03949	0.8
182.05768	1.9
184.04535	1.7
184.50896	0.8
185.02943	39.8
187.04526	4.5
191.02428	1.3
191.04012	5.3
197.02946	16.1
199.04622	1.0
200.05891	1.0
202.09271	1.9
203.03995	15.9
203.05774	1.2
203.09395	1.4
209.03102	0.7
215.04002	9.1
219.01665	3.5
221.04967	3.8
226.09248	1.1
227.03979	8.7
228.09015	0.8
233.05113	1.1
237.02882	3.9
239.04033	1.2
242.06953	1.0
244.10265	0.9
245.05066	100.0
246.05063	4.2
255.56200	0.7
257.05054	5.1
263.06125	27.9
264.06277	1.6
274.04382	0.9
275.06177	11.5
276.06506	0.8
279.03787	1.2
286.07663	1.2
293.07510	3.6
305.07291	7.9
306.07346	0.9
317.07199	0.7
321.04892	1.1
335.08405	3.4
365.09280	6.4
383.10147	1.2
425.10550	7.7
425.23218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2845
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
53.03938	2.2
55.01852	1.1
55.05493	5.3
57.07060	4.9
63.61051	1.1
65.03941	1.4
66.72490	1.3
67.05511	11.5
68.05032	8.9
69.03425	2.1
69.07076	8.2
70.06595	25.7
71.04940	1.7
71.52518	1.7
71.90552	1.1
72.08125	1.6
79.05490	12.8
79.14001	1.1
80.04989	5.4
81.03404	1.3
81.06663	1.5
81.07059	16.4
82.06554	4.0
82.07388	2.3
83.08595	3.6
83.16020	1.2
84.04465	1.4
84.08124	3.2
85.06515	4.0
86.06011	1.2
91.05486	16.3
93.07040	18.5
94.06544	1.6
94.07362	1.5
95.04944	5.4
95.08610	15.4
96.08107	5.4
96.08918	2.1
97.06465	1.5
98.06033	1.5
99.04404	1.4
100.07620	13.0
103.05466	1.5
105.03407	2.6
105.07037	41.4
107.08602	21.8
108.08132	7.7
108.08752	1.6
109.06520	1.8
109.10170	10.5
110.10468	2.3
111.08099	1.4
114.05546	6.9
115.05395	1.8
116.06230	1.3
116.07063	3.4
117.07019	9.9
119.08583	30.1
120.08071	3.0
120.08866	2.8
121.02838	2.0
121.10162	9.1
122.09666	3.0
122.10484	2.9
123.08072	1.9
123.11667	3.4
126.09160	1.9
128.07094	17.0
129.06975	4.0
131.08589	20.6
133.10133	17.3
134.09615	1.9
134.10474	2.5
135.08025	5.5
135.11636	6.8
141.06944	2.3
142.07718	3.0
142.08699	7.9
143.08566	13.2
144.01146	1.4
144.09151	1.5
145.02855	1.5
145.10123	23.3
146.09592	2.8
147.11710	8.8
148.11166	3.9
149.09573	2.0
149.13223	3.1
150.13600	1.3
154.08653	30.3
155.08519	4.5
156.09308	4.5
157.10143	14.8
158.10844	2.3
159.07988	1.4
159.11697	8.2
160.11145	1.8
161.09540	1.8
161.13235	4.2
164.07005	2.4
165.07033	2.1
167.08519	2.1
168.10286	8.1
169.10133	7.9
170.09573	1.4
171.11748	8.4
172.11223	2.2
173.11989	1.2
173.13290	14.4
174.12631	2.6
175.14755	3.3
177.05432	3.1
178.08566	4.8
181.08701	1.2
181.10106	4.3
183.11736	5.5
185.13229	4.8
187.14798	3.5
189.16360	2.5
190.16577	1.2
192.10176	1.4
193.10130	1.4
194.11890	14.5
195.11676	2.8
197.13164	1.8
199.11031	1.2
199.14763	5.8
201.16316	3.3
203.17993	2.9
204.18265	3.2
207.11763	1.4
208.12259	1.2
209.13242	4.8
211.14755	1.6
214.18024	5.3
216.10173	1.7
217.15816	3.2
217.19415	1.5
218.11839	5.8
219.12465	2.9
220.13237	4.7
221.13208	1.7
223.14835	1.5
232.13335	1.5
233.14090	1.3
235.14787	1.6
258.15106	1.7
265.19556	1.8
283.20581	1.4
284.16425	1.4
286.18085	1.9
291.20880	1.5
302.17499	4.1
309.22000	1.2
314.21164	7.0
314.24097	1.1
317.19748	1.5
332.22211	100.0
333.22424	4.2
338.21387	1.2
364.28375	4.6
406.27310	7.4
424.28381	78.5
424.35983	9.0
425.28738	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	424.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03944	0.9
55.05505	0.7
57.07053	0.4
67.05502	1.4
69.03428	0.5
69.07068	1.0
69.55656	1.0
69.56075	1.6
70.06594	1.3
71.04995	0.5
72.08157	1.5
72.87437	0.3
75.50431	0.3
77.03896	0.9
79.05509	1.1
81.03426	0.9
81.07059	2.0
84.08158	2.4
85.02896	0.6
85.06547	0.6
86.41874	0.3
91.05470	2.0
93.07044	1.1
95.04980	2.1
95.08608	2.3
98.21494	0.6
105.03392	100.0
105.07016	1.4
106.03732	1.2
106.07376	0.4
107.04958	0.4
107.08612	1.6
109.10149	1.4
110.10479	0.4
112.11232	2.2
112.35683	0.4
116.26850	0.3
117.06989	0.6
119.08582	1.5
121.02850	0.3
121.10151	1.3
122.06020	0.6
122.10402	0.4
123.11729	0.4
125.09584	0.4
127.12326	0.4
128.10672	0.6
131.08601	0.8
133.10124	0.8
134.06015	7.1
134.10460	0.4
135.11681	0.6
145.10085	0.8
146.10501	0.3
146.73355	0.4
147.11699	0.6
149.13257	0.6
153.01842	0.4
154.83665	0.4
157.10124	0.6
159.11859	0.5
161.10747	6.9
162.09140	91.3
163.09503	2.0
171.08090	0.3
173.13132	0.5
174.13661	0.3
175.12305	2.0
176.09293	0.7
176.10710	9.8
177.05487	0.8
189.16563	0.4
193.06897	0.5
199.14847	0.5
199.18044	0.9
203.17862	0.5
204.18248	0.4
233.16492	27.3
234.16792	0.9
253.03238	0.4
302.22229	3.6
303.20682	3.6
336.20697	32.9
337.20847	1.5
354.21762	25.9
355.22168	1.0
414.47260	0.4
423.69431	0.4
424.25864	5.5
424.31424	0.8
425.26248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.6
51.02369	0.6
53.03933	2.5
55.05505	1.8
56.53853	0.5
57.07086	0.5
67.05511	2.0
68.04998	0.4
69.07069	1.7
70.06604	6.3
70.28207	2.0
71.04999	2.1
72.08157	9.4
74.09705	0.8
77.03944	1.2
79.05487	1.1
80.64878	0.4
81.03416	1.2
81.07062	2.4
83.08635	1.2
84.08141	4.5
85.02928	0.6
86.09702	0.9
88.07631	1.2
91.05458	1.1
93.07054	1.7
95.04984	6.2
95.08618	1.8
97.62184	0.4
100.07619	1.9
100.11259	1.6
105.03394	100.0
105.07012	2.5
106.03748	1.6
106.57250	0.5
107.08609	1.2
109.02834	0.8
109.10162	1.8
110.09695	0.6
112.11258	5.0
117.07062	0.5
118.06631	0.5
119.08558	1.3
121.10155	1.1
121.75546	0.4
128.07111	0.8
131.08583	0.9
133.10126	0.5
134.06009	4.4
135.08055	0.7
135.11722	0.5
142.08626	1.1
142.12279	12.1
145.10118	1.2
146.10472	0.7
147.11673	0.7
149.05463	0.4
155.65186	0.4
156.06586	0.8
157.10081	0.4
159.11690	1.1
161.09616	0.6
161.10742	16.2
162.09143	95.7
163.09521	2.2
163.21806	0.5
168.20897	0.5
176.10719	1.0
177.05469	0.9
182.15376	1.0
185.13150	0.6
193.12221	1.0
195.11630	0.5
196.13412	0.6
197.16399	0.5
199.18062	2.8
210.15009	1.0
211.13342	1.3
224.16504	3.8
233.16492	37.0
234.16747	1.0
238.14366	0.9
252.15959	2.0
270.17007	11.1
283.14490	0.6
302.22278	39.9
303.20279	3.2
337.19095	2.1
354.21741	4.2
406.24692	0.8
408.90906	0.5
424.25894	9.9
424.31018	1.0
425.16949	0.6
425.26227	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64810	3.0
52.87993	3.2
55.01868	5.5
55.05515	6.4
56.05030	7.5
57.03414	5.2
60.04524	5.3
62.06097	3.7
67.05497	9.1
69.03419	20.5
69.07070	9.9
70.06594	74.2
71.04988	10.3
71.52401	4.8
72.08158	14.6
73.02927	6.3
74.06090	6.6
79.05482	5.5
81.03421	12.1
81.07053	20.1
82.06596	3.5
83.04971	8.5
84.04510	29.6
84.08147	48.0
85.02908	42.2
85.06548	13.3
86.06059	15.0
86.09705	60.2
87.00855	7.5
87.04466	6.0
88.03976	4.1
89.03912	5.7
91.05480	9.9
93.07037	6.6
95.04980	6.2
95.08618	26.5
97.02901	16.8
97.06548	7.1
99.04454	11.8
99.08121	7.8
101.06058	3.6
102.05548	9.4
105.01871	14.0
105.03401	5.3
106.20734	3.3
107.04957	4.4
107.08598	8.4
109.02879	11.3
109.10229	3.9
110.06041	2.9
110.07177	5.8
113.09658	10.2
115.07616	6.4
117.03384	21.6
117.71460	2.8
119.04962	7.1
119.08593	3.9
120.08117	12.7
121.10140	5.3
123.04432	4.3
123.08060	17.0
123.11691	4.0
127.03882	22.1
129.10229	37.6
129.64209	3.0
131.08501	3.9
135.11699	5.1
136.07561	30.1
140.10674	3.5
141.09097	81.2
145.02855	48.6
145.04895	7.6
146.05966	4.8
147.04431	19.0
149.05981	4.3
158.06071	7.1
159.10176	35.8
162.05573	5.4
162.09131	6.2
163.14824	4.3
164.07091	4.4
165.05498	9.6
176.07086	6.4
177.05469	100.0
182.08151	12.2
191.14337	9.5
198.09145	3.8
200.07048	3.9
204.06581	7.7
209.11597	4.1
209.15376	11.7
214.08745	4.1
214.18068	5.0
215.13904	17.8
226.94875	3.8
241.08557	3.9
243.13435	11.3
244.09743	15.7
244.19092	9.3
246.17198	3.7
262.07172	4.4
262.10687	10.4
263.13895	4.8
272.09299	3.9
337.31177	3.8
357.69879	3.7
424.15909	7.0
424.21362	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	424.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69919	0.1
55.78178	0.1
68.99760	0.2
70.88556	0.4
79.05466	0.2
79.35600	0.2
80.88418	0.2
93.05766	0.2
106.06549	0.5
108.08106	0.3
134.06013	5.7
161.04773	0.1
176.07065	100.0
176.49248	0.1
177.07416	2.2
340.09039	0.4
424.12344	0.3
442.23752	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	424.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54314	0.8
51.02386	1.1
53.03944	1.8
55.05509	5.4
61.18805	0.8
62.57045	0.8
65.03929	5.0
65.24379	0.9
67.05512	5.1
68.05030	1.7
68.05827	1.1
68.99775	1.1
69.07060	2.5
69.33851	8.6
70.06583	4.4
71.04974	2.3
77.03916	1.6
79.05500	7.1
80.34862	0.9
81.07069	6.1
83.04967	5.6
83.08622	1.3
84.08134	1.3
85.06557	9.6
86.06026	1.5
91.05473	4.8
92.05010	14.2
93.07056	4.8
94.06571	1.3
95.04980	6.3
95.08601	3.7
96.08075	1.3
97.99072	1.0
98.20733	1.6
99.04443	3.1
100.07604	3.7
100.16569	0.9
103.05450	1.7
104.04979	3.1
105.03382	3.3
105.07018	5.9
106.06546	9.7
107.04939	2.2
107.08582	4.3
108.08115	1.8
109.10142	3.7
110.10400	0.9
117.05746	1.2
117.06992	2.4
118.06564	1.6
119.08595	5.5
120.04460	71.5
120.08086	1.2
121.04774	1.4
121.10138	3.1
126.24832	1.0
128.06192	1.7
128.07088	3.1
129.07016	1.8
130.02856	1.2
130.06528	2.0
131.08553	3.5
132.03462	2.2
132.04453	39.2
133.02856	4.9
133.05161	1.8
133.10097	2.4
134.06024	14.0
135.11661	1.3
141.06950	1.2
142.08646	1.3
143.07411	1.8
143.08554	4.6
144.08040	3.2
145.10136	8.9
146.03578	1.6
146.06000	13.5
146.09700	1.2
147.04395	1.2
147.11568	1.4
148.03932	26.7
148.11179	1.8
150.03133	3.3
154.08640	5.9
155.08481	0.9
157.10106	2.3
158.06012	3.4
158.09607	4.8
159.11572	1.4
160.03940	30.8
161.02325	2.4
162.05507	88.1
163.03905	5.7
163.05835	2.3
164.07106	1.5
166.15906	1.0
167.07278	1.2
168.08060	3.2
168.10161	1.3
171.11726	1.6
172.07564	4.5
173.13300	1.3
174.05505	17.1
175.03896	2.2
175.06140	1.2
177.01874	1.6
178.02621	29.8
185.05988	1.2
186.09126	20.8
189.01886	1.5
189.05507	6.8
191.03378	2.6
192.04150	2.2
193.04962	100.0
194.05278	3.2
194.11804	8.4
196.07593	9.7
198.09076	1.4
199.06226	1.3
200.07004	2.8
201.03802	1.4
203.07072	1.5
204.10120	1.4
205.04927	2.6
209.13174	1.3
212.16469	5.2
213.05441	1.5
214.08624	60.1
215.09145	2.0
217.08505	2.1
219.10246	1.5
230.05693	3.4
232.09758	1.4
238.18135	2.5
242.70535	1.0
243.02797	2.2
245.08002	4.8
247.09663	26.6
256.19052	8.2
257.08109	5.8
263.09155	9.2
273.07578	2.9
277.07407	1.3
277.10590	1.4
284.02386	2.2
286.18048	2.5
290.91660	1.1
304.05804	1.1
314.21066	6.2
322.06958	4.8
328.05136	1.0
332.05191	1.2
332.22333	2.1
336.08667	1.8
348.08612	1.5
356.09155	2.0
357.10074	1.1
373.09326	2.5
388.11777	28.5
406.12881	12.2
406.27365	9.9
424.13898	5.5
424.28204	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Glochidone
Peak:m/z	Relative Intensity
53.03934	3.8
55.05508	10.1
57.07074	3.7
57.33873	2.1
58.76588	1.7
59.15353	1.8
67.05508	34.6
69.07069	21.5
71.33696	3.3
79.05489	12.7
81.07056	41.1
83.08632	8.5
85.06557	2.2
91.05484	12.7
93.07039	29.1
94.07348	2.6
95.04964	7.0
95.08604	72.1
97.06565	2.4
97.10181	6.5
105.07030	28.4
106.07316	2.0
107.08588	42.0
109.06540	4.6
109.10152	62.1
110.10503	3.8
111.08078	3.2
111.11753	5.1
117.07071	4.7
119.08594	35.3
121.10136	26.0
123.11712	15.8
129.07054	2.5
131.08530	13.8
131.31947	1.9
133.10129	29.2
135.11678	27.0
137.09679	2.0
137.13257	7.3
138.36765	1.8
142.07767	2.9
143.08617	6.6
145.10109	18.1
147.11684	21.6
149.09671	2.8
149.13243	12.3
151.14839	6.3
157.10086	8.7
158.10774	2.0
159.11685	19.0
161.13277	11.9
163.11169	2.8
163.14848	8.0
169.10130	4.1
171.11734	10.2
173.13249	12.7
175.14853	15.9
177.12724	2.1
177.16431	8.3
183.11736	5.5
185.13235	10.6
187.14798	12.3
189.16339	18.3
191.17970	12.7
197.13338	4.1
199.14888	6.4
201.16319	9.5
203.03419	11.4
203.14482	2.5
203.17969	9.5
205.16068	2.3
205.19514	14.2
207.17485	2.4
211.14890	4.9
213.16464	6.7
215.18034	7.8
217.15961	7.9
217.19533	8.1
219.17523	6.6
225.16422	3.8
227.17999	4.6
229.19553	6.4
233.19052	6.7
239.17934	2.9
241.19595	8.4
243.21182	5.3
247.33958	1.9
253.19553	5.0
255.21194	4.2
257.18854	2.3
259.20435	4.2
267.21252	3.8
269.22729	6.9
271.20663	8.2
271.24045	2.4
281.22910	3.7
285.22235	5.0
287.09268	4.3
295.24490	2.3
298.59814	2.0
358.56180	1.9
383.49292	2.1
396.79099	2.2
405.35352	16.3
423.22000	2.5
423.36389	100.0
424.36707	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	423.3619
Annotation	Glochidone
Peak:m/z	Relative Intensity
52.27371	0.4
53.03933	0.5
55.05512	2.2
55.84788	0.4
57.07064	1.0
67.05505	3.1
69.07067	4.3
70.78429	0.7
70.78780	0.9
79.05476	1.8
81.07056	8.8
83.08630	2.1
91.05473	1.1
92.71772	0.5
93.07041	4.0
95.04963	0.9
95.08608	15.8
97.10178	1.0
105.07048	2.5
107.08594	5.1
109.06532	0.7
109.10155	10.2
111.11738	1.0
119.08595	4.5
121.06480	0.6
121.10148	4.2
123.08075	0.8
123.11716	4.6
131.08566	1.3
133.10135	3.8
135.08057	1.2
135.11705	3.3
137.13248	6.0
143.08551	0.9
145.10118	3.4
146.10847	0.5
147.11699	2.5
149.09633	0.9
149.13274	4.7
150.13675	0.4
151.14778	2.1
155.08568	0.5
157.10115	1.4
159.11661	3.0
161.09644	0.8
161.13243	2.3
162.99924	0.5
163.11171	0.6
163.14830	1.3
165.16376	0.8
171.11708	2.2
173.13295	2.2
175.14810	1.9
177.16394	1.3
179.17940	1.2
183.11638	1.0
185.13185	2.1
187.14804	1.2
189.12778	0.6
189.16367	1.4
191.17958	1.8
197.13290	0.7
199.14818	2.4
201.16379	0.9
203.17950	0.5
205.19382	0.5
205.83913	0.4
209.13066	0.5
211.14825	0.9
213.16365	0.7
215.18008	0.9
217.15910	3.7
219.17474	1.3
224.15456	0.5
225.16296	0.8
227.17868	0.7
231.17484	0.5
233.19104	0.6
239.18015	2.2
241.19467	3.0
245.19128	0.8
245.23233	0.4
253.19533	1.4
255.20972	1.3
257.18994	2.2
257.22491	0.4
259.20593	4.9
267.21100	1.7
269.22742	0.5
271.20584	1.2
271.24066	0.5
273.22177	1.2
283.24057	1.1
285.22131	4.4
299.23660	0.6
311.27234	0.5
313.25385	0.7
405.35345	4.6
423.36206	100.0
424.36569	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	423.362
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03947	3.2
55.05507	12.0
55.09135	1.1
57.03438	1.3
57.07067	6.4
58.90318	1.1
59.04990	1.3
65.03918	1.4
67.05183	1.7
67.05505	21.0
69.03432	2.2
69.07068	31.6
70.24551	4.7
71.08620	2.6
72.32343	1.1
73.84445	1.4
77.31587	1.2
79.05482	11.2
81.07054	45.5
83.08615	15.6
83.65732	1.1
89.06026	1.5
91.05477	11.4
93.07043	26.9
95.05022	1.6
95.08605	72.2
97.06523	2.9
97.10175	5.7
97.47449	1.2
103.05446	1.3
105.07025	27.4
107.08589	48.0
109.10155	48.8
110.10489	1.6
111.08084	2.2
111.11723	7.7
112.05405	1.2
113.68156	1.2
117.07028	3.4
119.08579	44.6
121.10141	42.9
123.08057	3.8
123.11708	30.0
125.09634	3.5
128.06213	1.1
129.07047	2.1
131.08571	13.0
133.10126	38.1
135.11690	24.1
137.09621	2.5
137.13240	16.3
142.07732	1.9
143.08537	7.0
144.09366	1.7
145.10121	19.8
147.11697	23.7
149.13245	12.6
151.14827	4.0
155.08565	2.1
156.09358	3.5
157.10161	9.4
158.10802	2.0
159.11705	22.7
161.09624	1.8
161.13248	18.2
163.14793	7.0
165.12727	1.9
169.10114	4.7
170.10994	2.6
171.11684	16.7
173.13268	17.8
175.11203	1.7
175.14819	18.4
176.15054	1.5
177.16360	13.4
179.14247	5.5
179.17958	2.1
183.11679	5.1
185.13263	8.9
187.14815	13.3
189.16394	26.4
191.14319	1.4
191.17958	10.7
193.15895	4.4
197.13301	5.8
199.14771	8.2
201.16374	11.5
203.14412	2.8
203.17987	6.7
205.15862	3.7
205.19539	3.6
206.01428	1.4
209.13298	2.4
211.14778	6.0
213.16364	14.1
215.17947	11.6
217.15894	4.6
217.19470	8.6
219.02887	1.4
219.17418	7.9
219.21063	1.8
223.14777	1.6
225.16335	4.6
227.17932	9.0
229.19472	8.1
231.17456	8.9
231.21053	6.5
233.19305	1.5
237.16444	2.5
239.18010	4.7
241.19609	6.2
243.21085	3.7
245.19016	2.9
245.22725	3.4
253.19527	4.5
255.21091	4.8
257.22693	3.6
259.20633	4.1
265.19580	2.1
267.21143	7.3
269.22577	7.0
271.20569	2.9
271.24179	1.9
281.22760	2.6
283.24176	2.4
285.22266	5.2
295.24283	5.1
297.25684	1.5
309.25830	6.9
313.25269	2.5
321.25668	7.2
323.27460	3.3
327.26877	5.6
335.27380	6.4
336.27902	1.6
337.28848	2.6
339.26862	3.0
349.29080	1.5
363.30545	4.6
365.32278	1.6
395.36700	1.5
405.29745	2.6
405.35153	60.3
406.35583	5.1
423.36252	100.0
424.36621	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	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	9.1
57.07064	3.0
67.05505	15.0
69.06792	1.6
69.07076	18.2
71.04993	2.0
71.18586	3.5
73.46423	1.9
79.05471	9.9
81.07056	31.0
83.08620	9.6
91.05458	8.9
93.07043	26.0
95.08612	49.1
97.10146	3.7
105.07035	20.1
107.08596	38.8
109.06532	2.5
109.09475	2.7
109.10161	38.5
111.08128	2.1
111.11709	4.2
117.06983	2.1
119.08589	31.3
119.25050	1.7
121.10144	33.8
123.11707	13.8
131.08574	9.2
133.10114	26.6
135.11700	21.7
137.13284	10.7
143.08553	5.1
145.10123	18.6
147.11702	17.5
149.13252	11.1
156.09299	2.1
157.10126	7.5
159.11671	16.9
161.13281	14.6
163.14868	12.9
169.10121	2.2
171.11673	10.3
173.13264	14.9
175.14912	9.2
177.12833	2.8
177.16388	13.1
179.14246	3.0
185.13252	5.5
187.14807	9.9
189.16420	19.6
191.17947	7.1
197.13295	4.4
199.14833	6.8
201.16354	9.9
203.17979	14.1
205.15851	3.8
207.17490	3.7
211.14862	2.8
213.16406	9.3
215.17957	10.7
217.19490	9.2
219.17432	2.6
227.17879	4.7
229.19458	11.0
231.21082	2.9
239.17957	2.6
241.19431	4.3
243.21141	18.9
245.22665	8.2
247.20551	2.8
255.21100	7.5
257.22720	6.2
267.21078	3.8
269.22696	17.8
271.20685	2.2
271.24304	5.2
283.24170	6.6
295.24387	3.1
299.23724	3.9
309.25748	3.1
387.15622	2.3
404.74918	2.1
405.35168	28.0
406.35495	3.2
423.36203	100.0
424.36612	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	423.362
Annotation	Glochidone
Peak:m/z	Relative Intensity
55.05509	9.2
57.07073	3.6
67.05505	17.6
69.03396	1.5
69.07067	24.0
69.86956	2.7
69.87362	3.3
79.05479	9.5
81.07056	32.2
83.04975	1.6
83.08615	7.2
91.05459	6.9
93.07047	20.7
95.04916	1.9
95.08605	57.1
97.06551	1.4
97.10167	5.0
98.20838	1.6
105.07026	15.2
107.04949	2.6
107.08600	27.4
109.06538	1.7
109.10154	52.4
111.11730	5.4
119.08576	21.0
121.10146	34.8
123.08112	2.7
123.11703	20.2
129.07004	1.8
131.08585	5.5
133.06543	1.8
133.10130	15.3
135.08072	5.1
135.11696	16.8
137.13258	10.1
143.08569	3.7
145.10127	14.0
147.11714	10.7
149.09627	25.3
149.13277	13.8
151.11174	1.7
151.14825	2.4
156.09329	1.6
157.10150	6.6
159.11702	11.5
161.09604	2.6
161.13266	9.4
163.11165	2.8
163.14839	13.5
169.10118	1.5
171.11647	7.3
171.38480	1.1
173.13248	7.8
175.11259	2.7
175.14815	7.5
177.12798	4.7
177.16376	7.4
179.14314	1.6
179.18063	1.5
183.11707	1.6
185.13297	4.7
187.14865	12.7
189.12805	3.3
189.16328	9.8
191.14326	2.2
191.17912	7.3
193.15964	1.6
197.13336	1.6
199.14873	5.8
201.16432	7.6
203.14333	6.0
203.17987	4.5
205.15901	13.5
205.19501	10.7
207.17500	1.1
211.14871	2.6
213.16319	8.3
215.18037	5.5
217.15923	7.5
217.19490	6.6
219.17480	2.6
219.21135	5.1
225.16423	2.1
227.18085	2.7
229.19386	2.2
231.17494	8.7
231.21091	2.8
233.19052	1.4
241.19362	3.0
245.19029	2.1
245.22810	1.6
253.19604	2.2
255.21271	1.8
267.21155	2.1
269.22632	2.5
271.24167	1.3
283.24411	1.4
285.22394	1.6
295.24515	2.0
313.25177	2.1
314.16940	1.4
353.28467	1.4
399.00061	1.3
405.35208	17.8
406.35635	1.3
423.36249	100.0
424.36523	9.0
445.35739	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.362
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05517	3.1
57.07072	1.9
67.05507	7.3
69.06734	0.7
69.07074	8.3
69.20335	2.5
69.20760	4.5
79.05505	3.6
81.06588	1.2
81.07053	16.3
83.08617	4.0
91.05473	4.5
93.07052	8.6
95.08608	26.4
97.10159	1.3
97.59134	0.7
105.07036	8.0
107.08590	11.0
109.09480	1.3
109.10162	18.1
111.08046	0.8
111.11786	1.5
112.26787	0.6
117.07018	1.8
119.07790	1.3
119.08567	10.3
121.10146	9.6
123.08030	0.8
123.11719	8.0
129.07014	1.1
131.08591	3.3
133.10127	9.9
135.11696	8.1
137.13226	6.1
141.02098	0.7
143.08600	1.6
145.10118	6.9
147.11687	9.3
149.13239	4.5
151.11151	1.0
151.14799	1.6
155.08585	0.8
156.09370	1.5
157.10114	3.5
158.72997	0.6
159.11685	5.9
161.13266	10.4
163.14835	2.1
165.12747	1.2
165.16428	1.8
169.10204	1.7
170.10880	0.8
171.11687	5.9
173.13258	5.7
175.14799	4.4
177.16402	1.5
180.29871	0.6
183.11705	3.0
185.13301	4.0
187.14804	4.2
189.16403	1.4
191.17873	1.0
196.12486	0.9
197.13280	2.2
199.14809	4.2
201.16417	2.2
203.18021	1.0
209.13225	0.7
211.14848	2.0
213.16380	1.8
215.17960	0.7
217.15910	0.7
225.16479	1.0
227.17934	1.3
229.19530	1.0
239.17960	2.1
241.19521	5.2
243.21072	2.0
245.22670	3.2
253.19527	1.7
255.21106	1.6
257.19153	1.1
257.22623	3.2
259.20593	9.1
260.20874	0.8
267.21124	4.0
269.22580	4.1
271.20761	1.2
271.24268	3.0
281.22589	0.9
283.24216	5.9
285.22067	3.6
297.25824	1.4
309.25681	1.5
311.27200	1.0
335.27219	1.1
353.28320	0.9
405.35135	16.0
406.35577	2.1
423.36218	100.0
424.36600	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	423.362
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05508	8.8
67.05507	23.3
69.07067	26.3
70.34681	11.1
70.35014	4.2
73.13824	3.1
75.27090	3.4
79.05455	5.7
81.07055	32.7
81.61382	3.6
83.08619	9.0
89.06013	3.9
91.05469	4.8
93.07059	21.8
95.08609	67.9
97.10177	6.3
98.21427	4.9
105.07043	17.6
106.65198	3.3
107.08615	35.9
109.10159	74.5
111.11720	13.2
118.55491	3.4
119.08595	29.0
121.10161	32.8
123.11700	19.7
131.08595	8.9
133.10095	23.1
135.11699	19.4
137.13237	8.2
145.10155	5.8
147.11710	17.8
149.13260	11.2
157.10178	7.9
159.11711	17.6
161.13278	19.7
163.14827	9.8
170.44022	3.3
171.11720	9.7
173.13272	14.6
175.14825	25.6
177.16380	7.8
179.08655	3.8
179.14354	4.2
185.13249	5.4
187.14796	10.1
189.16370	12.4
191.17914	10.5
199.14775	7.6
201.16364	15.2
203.17928	12.3
205.15854	4.6
205.19528	16.3
213.16385	8.0
215.18079	5.1
217.15852	3.7
217.19492	5.5
219.17445	6.6
227.18057	4.0
231.17456	5.8
231.21074	6.8
241.19815	4.5
309.25558	4.0
350.75421	3.4
379.33484	10.0
384.58673	3.3
405.35193	31.0
423.30908	7.2
423.36234	100.0
424.36475	9.1
424.81451	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	423.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32565	3.5
52.63131	3.5
53.03939	3.8
55.01858	4.1
55.05509	19.1
57.07074	3.5
59.04977	4.6
61.48315	3.6
65.03912	3.9
67.05506	33.6
69.03429	5.8
69.07067	30.2
69.29288	18.3
69.29713	14.1
71.05007	4.1
79.05501	21.7
81.07056	62.1
83.04974	6.7
83.08635	14.0
85.06548	4.5
91.05477	40.4
91.05968	5.2
93.07048	62.5
95.04973	16.2
95.08611	80.1
97.06541	10.3
97.10174	4.2
98.21525	7.2
105.07042	64.1
106.79636	3.7
107.08598	78.7
109.06522	13.4
109.10162	62.5
109.28302	3.4
111.08081	12.2
111.11729	5.1
115.05459	4.1
117.07030	13.8
119.08583	100.0
121.10146	66.2
123.08038	7.4
123.11721	23.6
128.06250	6.1
129.07011	6.9
131.08582	29.3
133.10132	61.4
133.68005	3.4
135.08051	8.3
135.11682	39.5
137.09630	9.8
137.13258	11.4
139.07616	3.6
143.08571	12.8
145.10132	52.6
147.11690	40.7
149.09621	7.1
149.13272	16.2
151.11160	7.6
155.08609	7.6
156.09306	4.6
157.10091	17.1
159.11696	44.9
161.09659	6.2
161.13272	26.3
163.14812	8.3
169.10149	11.7
171.11671	20.3
173.13263	36.7
175.11201	4.0
175.14784	26.7
177.12843	5.8
177.16370	20.3
182.10999	3.6
183.11655	11.2
185.13290	21.2
187.11200	3.8
187.14803	28.7
189.16370	30.3
191.17929	10.0
197.13283	8.5
199.14789	21.1
201.16365	30.2
203.14294	7.6
203.18016	13.1
209.13258	5.1
211.14812	10.4
213.16447	12.5
215.14340	6.4
215.17935	21.1
217.15828	6.9
219.17461	4.5
225.16409	7.3
227.18033	7.6
229.19475	8.5
233.15216	4.8
239.17981	8.1
241.19545	9.0
243.21043	4.1
247.17099	4.9
253.19450	5.7
269.22647	4.9
279.68042	3.9
283.23969	3.9
313.25208	10.2
387.30402	6.0
405.31165	22.3
423.23431	4.0
423.26852	6.8
423.28027	3.5
423.31985	71.2
423.36954	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75906	2.5
53.03952	3.2
55.05503	18.3
57.07071	8.5
58.12136	2.3
59.05016	2.6
65.03924	3.7
67.01132	2.5
67.05508	45.6
69.03419	3.7
69.07066	34.0
70.71982	5.8
70.72355	4.9
71.08612	3.3
73.30879	2.4
79.05496	23.6
81.03426	3.5
81.07058	59.7
83.08607	13.4
83.32260	2.3
84.34137	2.0
85.06563	2.8
85.78745	2.6
88.66000	2.3
91.05492	23.9
93.07042	47.2
95.05011	5.1
95.08607	65.2
96.80069	2.8
97.06525	6.1
97.10152	5.1
98.20822	2.6
103.05467	2.7
105.07028	48.9
107.08597	54.4
109.06508	4.6
109.10155	100.0
111.08086	4.1
111.11713	3.0
117.07044	6.5
119.08585	52.7
121.10140	50.5
123.08064	5.0
123.11697	23.4
125.09631	5.2
131.08572	15.8
133.10143	42.1
135.08090	5.7
135.11676	29.2
137.09642	4.1
137.13258	8.5
141.06950	3.3
143.08571	6.9
145.10114	24.9
147.11711	40.8
149.09685	3.5
149.13255	22.4
157.10158	10.8
159.11714	27.3
161.13306	23.6
163.11227	10.1
163.14832	11.9
167.00443	2.9
167.08426	2.8
169.10118	4.4
171.11700	9.2
173.13220	15.9
175.11415	2.6
175.14749	14.0
177.12791	3.8
177.16382	11.9
183.11615	5.4
185.13309	9.7
187.14822	14.3
189.12721	4.7
189.16376	17.3
191.14325	3.3
191.18001	12.0
197.13315	5.7
199.14880	6.0
201.16393	17.7
203.14450	3.6
203.17949	30.9
205.15942	8.9
205.19434	3.6
211.14851	5.9
213.16370	6.1
215.17955	10.0
217.15918	2.5
217.19571	19.2
219.17473	3.7
227.17929	4.1
229.19495	5.0
231.17451	8.7
241.19472	3.4
243.21254	3.8
245.19008	3.4
255.20975	3.1
257.19092	3.7
257.22659	4.7
267.21136	3.4
269.22763	5.0
271.20645	6.9
287.09091	2.8
405.35306	17.7
423.27344	4.6
423.36316	98.8
424.36749	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	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01862	3.0
55.05510	10.5
55.88437	0.8
57.03426	3.3
57.07064	3.7
65.03945	0.9
67.05506	26.0
69.03434	4.9
69.07067	11.5
70.01620	2.6
71.04990	3.1
71.08636	2.8
73.02875	1.1
79.05498	13.5
80.42789	0.8
81.03415	3.5
81.07057	25.8
83.04978	2.7
83.08622	5.5
84.44667	0.8
85.02912	1.1
85.06527	2.3
90.63332	0.8
91.05475	10.0
93.07044	21.2
95.04971	3.0
95.08607	25.1
97.02886	11.2
97.06538	2.3
97.10163	2.2
99.04457	8.1
99.08070	1.3
105.07022	9.5
107.04909	0.8
107.08588	15.1
109.02875	3.1
109.06524	12.5
109.10159	12.0
111.08068	2.8
117.07022	3.5
119.08594	12.6
121.06470	1.1
121.10142	13.3
123.08066	43.8
123.11673	5.2
124.08403	1.0
127.03944	7.5
131.08533	5.4
133.10143	10.1
135.08064	7.3
135.11705	7.7
137.09618	3.1
137.13228	2.1
143.08589	1.7
145.04965	1.3
145.10085	6.4
147.08165	0.9
147.11678	5.6
149.09648	2.1
149.13275	5.0
151.11240	1.0
157.10104	1.6
159.11702	6.0
161.09595	1.2
161.13239	4.9
163.11188	1.3
163.14839	1.7
165.12878	1.0
167.14261	0.9
171.11749	1.6
173.11859	1.7
173.13293	5.0
175.14824	3.7
177.12724	3.8
177.16396	1.4
179.14325	36.1
180.14572	1.0
183.11621	0.8
185.13309	1.2
187.14873	2.8
187.49036	0.9
189.16362	1.5
191.14331	1.4
193.15884	1.2
199.93718	0.8
201.16418	2.1
203.03444	1.0
203.17822	1.0
205.15910	2.2
217.19450	1.1
233.18997	1.0
247.20590	1.1
259.20578	1.3
261.22086	4.2
263.20160	1.4
275.20276	3.8
293.21140	2.6
303.26825	4.0
331.26315	33.0
332.26624	2.4
349.23352	1.5
349.27322	7.9
405.30228	1.9
405.35178	1.1
423.31128	100.0
424.31570	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	423.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54675	0.7
53.26980	0.8
54.91741	0.8
55.01867	1.5
55.05512	5.6
57.07072	3.1
59.05001	0.9
65.03934	2.9
65.98988	0.7
67.05507	18.8
69.03416	1.5
69.07071	7.3
69.19201	8.1
69.19618	1.9
71.69027	0.7
76.42513	0.8
79.05504	7.2
81.07062	20.6
83.04992	1.2
83.08610	3.7
85.06538	9.4
91.05485	8.6
93.07046	23.2
95.04958	1.6
95.08603	20.9
97.06525	1.6
97.10190	1.9
103.05451	1.2
105.07038	11.5
107.08594	15.2
108.24837	1.0
109.06512	1.2
109.10165	16.0
111.11714	1.1
115.05448	1.8
117.07000	2.3
119.08586	13.7
121.06521	1.1
121.10154	12.8
123.08054	1.4
123.11709	7.5
131.04935	6.8
131.08568	3.3
133.10147	9.7
135.08052	1.3
135.11688	11.3
137.09647	1.0
137.13245	3.5
141.11069	0.8
143.04875	1.0
143.08551	1.5
144.09317	1.1
145.10146	6.5
147.04410	11.8
147.08055	1.5
147.11679	9.1
149.09659	1.2
149.13239	5.1
157.02864	1.7
157.10126	1.2
159.04427	5.9
159.11707	8.2
161.13237	8.8
163.03926	2.1
163.11154	2.4
163.14810	3.2
171.11691	2.3
173.02420	1.9
173.11955	0.8
173.13222	5.2
175.03926	6.0
175.14832	4.1
177.01849	7.2
177.12755	2.2
177.16412	3.1
179.14339	1.2
185.02396	1.5
185.13303	2.1
187.03923	11.3
187.14809	3.8
189.12737	0.9
189.16402	4.9
191.17938	4.4
195.08047	2.6
197.13303	0.9
199.03835	0.9
199.14845	2.2
201.01869	4.6
201.16345	4.2
202.02621	2.8
203.03401	100.0
203.17947	6.2
204.03787	1.0
205.05023	2.4
205.15848	2.4
205.19550	1.5
209.13239	1.0
213.16324	1.6
215.03447	1.8
215.17944	2.5
217.19522	5.3
223.07469	1.3
225.16388	0.9
227.18004	1.3
229.15874	0.9
229.19530	2.0
239.17818	1.2
241.08597	1.2
243.06543	3.1
243.21101	1.2
259.10114	0.8
261.07593	3.2
267.20917	1.1
269.08014	5.0
269.22665	0.9
287.09137	32.0
288.09369	1.0
289.10742	1.4
295.24237	1.2
313.25473	1.1
321.14969	1.1
337.03162	0.9
339.15881	3.1
405.20602	1.9
405.26376	1.0
405.35443	4.1
423.21689	15.2
423.36664	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	423.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.7
55.01871	2.2
55.05507	11.8
55.75226	1.0
57.03435	3.2
57.07056	2.0
59.04997	1.8
61.02917	1.6
67.05506	28.4
68.99788	3.8
69.03434	22.1
69.07069	27.6
69.24066	10.0
70.06590	2.3
71.04990	7.3
79.05508	7.9
81.03419	42.7
81.07057	20.7
83.04989	9.5
83.08627	8.3
85.02904	31.5
85.06523	1.3
87.00821	2.5
91.05499	6.5
93.07042	12.7
95.04964	3.9
95.08611	32.7
97.02892	31.6
97.06508	2.1
97.10155	3.3
99.04462	13.0
99.08068	1.3
103.05531	1.1
105.07027	10.8
107.08586	14.2
109.02883	42.1
109.06530	5.5
109.10156	58.3
110.10487	1.3
111.04436	2.4
111.08074	5.7
117.07007	2.2
119.08576	21.7
121.02875	1.3
121.06491	3.1
121.10152	36.5
123.04402	2.0
123.08080	12.8
123.11720	6.1
125.05979	1.2
125.09633	2.7
127.03920	100.0
128.04276	1.1
129.06955	1.1
131.08565	2.2
133.06461	1.4
133.10115	12.1
135.08084	3.0
135.11697	41.6
137.09616	26.5
139.11183	24.6
141.07053	2.1
143.08592	1.8
145.04970	3.9
145.10168	2.4
147.08060	1.9
147.11682	3.8
149.09587	2.0
149.13261	8.3
151.03853	1.4
151.07495	1.5
151.11205	4.2
151.14838	3.5
157.10129	1.4
158.74973	1.1
159.08055	1.5
159.11610	1.1
161.05972	1.0
161.09607	3.7
161.13251	2.1
163.07520	1.0
165.09149	1.0
171.11740	1.7
173.09633	1.2
173.13257	3.2
175.11183	2.6
175.14821	19.2
177.05417	1.1
177.09215	1.2
183.97020	1.0
187.11227	1.3
191.14467	1.3
193.15884	20.0
203.14478	1.7
211.16957	6.4
213.03931	27.5
215.14267	1.4
217.12262	2.8
219.13722	1.4
221.15462	2.1
231.05077	1.5
243.13817	1.1
245.15344	6.0
251.16675	1.1
283.16888	2.2
301.17892	3.4
319.19083	1.9
405.19031	3.3
423.20273	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	423.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05530	0.5
53.03951	5.3
55.01859	1.2
55.05511	12.3
57.03431	1.6
57.07059	1.2
65.03933	2.0
67.05506	58.7
68.99794	2.0
69.03430	32.2
69.07069	37.8
69.45394	2.9
69.45800	1.7
70.06585	2.6
71.04996	8.4
71.46169	0.6
72.08151	1.5
79.05493	5.8
79.57768	0.6
81.03419	32.6
81.07056	23.1
83.04986	6.8
83.08614	4.3
84.04501	1.1
84.08138	1.9
84.56950	0.6
85.02907	10.8
85.06538	5.1
86.09698	2.5
87.00831	1.5
91.05474	8.6
93.07047	23.4
95.04969	5.9
95.08608	59.3
96.08947	0.8
97.02887	8.2
97.06532	6.0
97.10168	3.8
98.85282	0.7
99.04458	14.6
99.08094	3.7
103.05462	1.0
105.03394	1.1
105.07039	7.1
107.08590	12.8
109.02130	1.2
109.02882	24.4
109.06518	5.2
109.10155	100.0
110.10551	0.9
111.04431	0.8
111.08101	5.2
111.11728	0.9
113.09649	2.0
115.82281	0.6
117.07027	1.5
117.65536	0.6
119.08575	13.3
119.09377	1.1
119.57310	0.6
119.96533	0.6
120.08095	4.6
121.02891	1.6
121.10143	6.4
123.04404	0.8
123.08061	6.4
123.11707	6.2
125.09647	2.8
125.94089	0.6
127.03915	18.3
127.07510	0.7
129.06969	0.8
131.08574	1.5
133.10110	7.4
135.08014	0.7
135.11682	10.8
136.06212	1.2
136.07565	0.8
137.09615	56.6
138.09962	1.0
139.11218	3.7
141.09096	1.9
143.03401	0.6
143.08597	0.8
145.02882	0.7
145.05005	1.6
145.10153	1.5
146.06020	0.7
147.04358	0.9
147.11673	2.2
149.05984	1.2
149.09599	0.9
149.13248	3.6
151.07571	1.0
151.11209	3.7
151.14868	2.4
153.12726	0.6
155.10696	2.9
159.08139	0.6
159.11681	1.1
161.05975	0.7
163.14864	0.7
165.16380	0.7
167.03217	0.8
169.08589	2.3
172.15526	0.6
173.13301	1.0
175.03690	4.2
175.14828	9.6
176.07042	2.9
177.05486	2.1
183.10225	2.7
185.04295	1.9
187.09711	0.7
191.07040	0.8
191.14229	0.8
193.04959	0.7
193.15894	11.9
195.02866	0.7
201.11252	1.3
203.03288	0.7
211.16942	9.1
213.03937	59.9
219.06473	0.7
226.15137	0.8
227.05222	4.0
231.04962	4.0
239.16415	16.4
240.16754	0.7
244.09872	0.7
247.06058	1.3
262.10919	0.9
269.17621	1.1
271.03998	4.7
283.15234	1.1
291.12427	1.4
291.19589	1.2
301.18158	0.7
319.19095	5.1
337.08960	5.0
337.20190	1.5
339.08905	0.9
342.48920	0.6
345.13361	1.3
357.13495	0.8
379.09973	36.6
380.10321	3.0
405.12378	0.7
405.18979	2.8
423.08960	64.8
423.20181	23.3
423.25525	1.3
424.09283	5.5
424.20691	0.8
441.21243	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	423.143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48943	0.6
53.03924	1.7
55.01848	0.9
55.05509	0.8
56.05032	1.7
56.96559	2.7
58.99593	5.7
61.02922	1.9
67.05502	6.3
69.03426	6.9
69.07069	15.1
69.90551	1.4
69.90953	2.6
70.06596	3.6
71.04990	0.9
73.02896	1.0
76.02223	2.8
76.02631	0.7
78.64545	0.7
81.03403	3.4
81.07065	0.8
83.04988	0.8
84.04499	2.2
84.08145	11.3
84.96056	0.9
85.02905	11.0
86.09673	1.4
87.04449	0.7
91.05499	0.9
93.07027	1.1
95.04964	2.8
97.02882	5.3
98.21384	1.0
98.97556	3.5
99.02670	1.3
99.04456	3.2
101.04243	42.4
105.03309	0.7
109.02871	1.8
110.06036	1.5
112.07597	2.9
116.10762	0.8
116.98584	1.7
119.16206	0.7
120.08106	5.0
122.02738	0.7
127.02122	4.5
127.03917	2.4
127.05791	2.1
129.03712	1.4
129.10211	4.7
136.07596	1.9
140.07074	8.6
145.04994	1.8
147.11356	0.9
155.01654	1.7
155.75870	0.8
158.99611	0.9
170.06322	2.7
172.04277	100.0
173.04720	1.2
174.97037	0.8
177.00679	2.1
180.04837	1.0
182.08153	2.6
197.07471	2.9
198.05904	6.8
214.05365	9.5
215.08513	7.7
219.01871	1.8
237.02884	1.9
238.05321	1.1
244.06438	10.6
257.09561	0.8
261.09052	19.6
261.18185	1.2
270.11026	0.8
286.07516	2.4
302.12338	1.2
303.10141	2.4
316.08545	0.9
332.33456	0.8
334.09641	5.8
339.09784	0.9
377.13782	9.2
381.10690	1.1
423.14313	48.0
424.14877	1.6
431.05380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1431
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
52.27359	0.8
56.96570	1.6
57.03435	1.1
58.99581	6.9
61.01139	0.8
61.02921	1.6
65.03949	0.9
67.05503	6.9
69.03432	5.6
69.07071	17.8
70.06575	1.2
71.04994	0.7
71.45892	1.2
73.02889	0.9
74.06011	0.7
76.02216	3.1
81.03406	2.3
84.04491	1.3
84.08131	2.8
85.02902	11.3
88.03977	1.1
95.04973	3.8
96.81786	0.8
97.02890	4.6
98.97576	2.1
99.02700	1.7
99.04454	1.6
101.04240	41.1
109.02878	2.3
110.06042	1.3
112.03999	0.7
112.07583	2.4
116.98618	1.8
120.08079	1.5
122.02695	0.8
125.04208	1.2
126.05502	0.8
127.02158	4.9
127.03879	2.5
127.05790	1.8
129.03670	3.2
129.10237	1.2
130.06525	0.8
136.07556	0.7
138.05452	1.2
140.07062	8.6
145.04938	1.2
152.05376	0.8
155.01643	0.8
158.99585	0.7
170.06268	3.5
172.04274	100.0
173.04613	1.6
177.00728	0.9
180.04784	2.4
182.08160	3.1
188.79785	0.6
197.07465	3.5
198.05846	5.6
206.08054	0.8
210.71301	0.7
214.05325	10.9
214.07231	1.1
215.08481	5.6
219.01768	1.2
237.02895	1.2
237.76689	0.6
238.05170	1.0
239.08348	1.0
244.06403	10.8
261.09055	18.0
261.18140	0.9
286.07477	2.2
297.26279	0.8
302.12503	1.2
303.10077	2.7
316.08594	1.0
334.09509	4.8
339.10147	1.5
370.09641	0.7
377.13760	11.1
406.12021	0.8
423.14322	48.9
424.14465	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.6
56.05038	8.0
56.96577	3.3
57.03417	2.7
58.06599	2.3
60.04519	4.1
61.02917	1.6
63.30750	1.7
67.05499	2.3
69.03440	7.9
69.07060	1.9
70.06595	21.6
71.04991	3.1
71.40710	1.7
71.41039	2.3
72.08173	4.2
73.02914	2.7
74.06081	100.0
77.83586	1.6
79.05486	2.8
81.03416	8.1
81.07074	2.9
82.06587	4.6
83.04961	2.0
84.04504	8.5
84.08143	9.6
85.02911	13.5
86.06081	3.6
86.09712	3.6
87.00830	2.3
87.04449	1.5
91.05492	2.3
92.05000	3.4
93.07041	2.0
95.04981	3.1
97.02890	7.5
98.06055	36.3
99.04450	5.4
102.05543	7.3
105.03366	4.1
108.04489	3.4
109.02895	11.4
110.09679	2.2
111.04459	1.8
112.07603	3.4
114.03811	1.8
116.07091	43.9
120.06594	20.8
120.08118	3.8
122.06063	2.6
124.03922	3.2
125.07111	10.0
127.03918	12.5
128.07069	7.4
129.10236	3.4
130.06503	3.9
137.02325	2.2
137.06001	2.1
140.06978	2.1
140.10812	1.8
144.06558	61.0
145.04933	1.8
150.05489	2.1
154.04988	58.0
156.10139	3.1
157.06534	1.7
157.07599	10.4
162.07640	7.3
162.09048	3.3
174.07613	1.9
174.11191	2.7
185.09247	4.0
214.09692	1.7
225.07611	2.0
237.47249	1.7
242.09210	22.3
268.08386	2.0
269.10605	2.7
270.09714	21.8
280.08170	14.7
288.10867	10.6
295.08588	1.8
298.09052	3.2
306.11804	3.1
313.09717	2.7
333.00003	2.0
338.59067	1.9
404.15564	7.1
404.22894	1.8
422.16031	4.4
422.22260	4.1
423.17709	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.0
55.01876	4.0
55.05492	5.4
57.03447	5.9
57.07077	4.5
67.05499	10.0
69.03413	14.0
69.07060	4.5
70.06580	16.6
71.04976	6.2
71.53799	4.5
72.08171	4.5
79.05476	24.6
81.03406	10.7
81.07052	41.0
83.04965	16.0
84.04511	5.2
84.08144	6.2
85.02924	21.4
85.06546	4.5
86.09697	6.4
87.00829	9.5
91.05476	10.2
93.07040	38.7
95.04945	4.9
95.08612	20.3
97.02900	8.6
97.06530	5.3
99.04451	7.5
99.08105	3.3
105.01888	9.1
105.07031	8.3
107.08610	5.8
109.02856	10.1
109.06500	3.5
109.10164	5.9
110.06049	5.6
117.07008	4.5
119.08595	8.5
120.08104	11.0
121.06496	4.3
121.10137	100.0
123.08041	5.1
127.03909	13.2
129.10254	4.0
133.10127	3.8
136.06155	14.9
138.09149	6.2
139.11174	75.9
144.16273	3.6
145.04942	6.7
146.06078	3.1
156.06516	3.2
156.07971	3.8
161.05991	3.4
162.05490	6.5
176.65254	3.3
182.54463	3.1
200.09142	6.8
201.05388	3.4
219.06561	13.7
225.14856	10.3
242.11798	5.2
247.13411	3.6
422.23444	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	422.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.3
55.01861	3.3
55.05514	12.0
56.05023	4.4
56.96564	3.8
57.03434	2.7
59.04988	4.5
60.04508	2.9
61.02925	4.7
67.05508	27.6
69.03432	26.3
69.07068	15.9
70.06593	72.0
71.04982	4.2
71.06911	4.3
71.52064	3.7
72.08167	17.2
73.02932	2.8
74.06063	4.8
79.05497	15.1
81.03409	11.9
81.07055	38.6
83.04978	14.3
83.06079	5.2
83.08617	4.5
84.04498	11.3
84.08157	28.2
85.02904	37.8
85.06557	6.0
86.09708	28.5
87.04423	3.0
91.05474	12.5
93.07054	20.7
95.04974	13.3
95.06091	9.9
95.08611	100.0
97.02892	12.3
97.06528	11.7
97.10167	3.7
98.97602	2.6
99.04462	7.2
102.05560	4.6
103.05458	2.7
105.03391	9.2
105.07046	19.8
106.02911	11.0
107.05013	2.5
107.08586	17.8
109.02871	9.6
109.06510	9.1
109.10190	2.7
110.07164	6.1
111.08043	9.0
112.07592	5.6
112.08730	5.5
113.06009	38.7
115.08688	5.0
116.07118	6.2
117.54895	2.4
119.04959	3.1
119.08563	13.6
120.08112	13.2
121.06497	5.2
121.08421	5.2
121.10119	8.9
123.08075	10.1
123.11730	3.0
124.03964	18.0
124.07596	3.8
125.06019	3.1
125.09653	5.1
126.05526	3.9
127.03928	7.7
129.10233	15.6
133.06516	3.6
133.10091	13.9
135.11682	8.1
136.07561	4.3
136.70543	2.3
137.02344	8.3
137.05949	3.6
137.09599	5.0
139.07529	7.0
139.11192	3.5
140.07074	5.3
145.04916	5.8
145.10146	3.8
147.04398	3.4
147.11705	15.6
149.09639	5.6
151.03865	4.3
151.07507	8.3
151.11186	9.5
153.09094	3.0
156.08101	6.0
156.10291	3.1
157.08626	4.4
159.11612	3.3
161.13240	9.5
162.09138	7.3
163.06007	3.4
164.07137	3.3
165.09120	3.5
171.11542	2.8
174.09087	4.9
174.11337	3.4
177.05457	2.8
177.12738	9.4
179.14264	3.0
182.08043	3.4
183.84981	2.7
189.12755	19.0
192.07709	7.6
195.13834	10.4
196.68744	2.3
202.08533	3.6
207.13800	63.1
213.12230	4.1
217.11935	2.5
219.06451	3.0
225.14891	15.9
242.17554	3.2
243.15834	2.8
250.07126	5.4
260.09113	5.8
268.08197	4.4
269.10574	3.5
422.15665	5.3
422.16632	4.0
422.22421	12.8
423.17380	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	422.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05006	4.7
56.96305	8.0
56.96567	100.0
60.04517	4.2
69.03416	6.4
70.06608	20.7
70.06919	8.8
70.07313	6.8
70.54885	3.8
72.04496	3.4
73.63772	3.5
74.00632	4.1
76.59818	4.4
81.03381	4.1
83.06078	4.2
84.04520	6.2
84.08125	17.9
84.96046	7.4
85.02882	15.7
97.02881	10.1
98.97579	67.5
100.02180	5.5
105.03434	5.1
110.97549	10.0
112.99062	4.2
115.00727	21.1
116.98613	34.2
128.07043	6.9
128.98634	14.3
131.00240	4.5
133.01733	11.8
134.99619	19.2
140.05446	4.0
143.00159	9.9
143.01604	15.3
145.01721	4.8
146.02734	7.5
146.99576	7.7
147.04393	4.5
152.05655	14.4
158.99625	14.1
159.03253	4.7
161.01218	22.5
162.05447	4.3
163.02837	5.8
170.99709	6.8
171.01115	57.8
172.04097	5.8
177.00694	15.0
183.03389	4.4
189.04324	5.4
195.03224	4.1
199.06354	4.1
203.02193	13.2
205.03702	5.6
207.16699	3.7
208.01479	5.2
211.06400	11.0
214.45665	4.0
219.01819	15.3
225.08075	7.0
233.08540	5.0
237.02724	24.3
250.02397	7.9
251.09505	48.5
259.06409	7.2
260.05890	5.3
267.09024	12.0
268.03409	4.5
269.10596	90.1
277.07455	45.2
285.10056	12.8
287.11743	11.2
292.12149	5.3
293.10571	24.4
295.08508	88.5
300.08975	5.6
311.11676	23.2
313.09567	60.6
318.10544	4.3
326.94919	4.2
331.10516	11.0
423.14273	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	422.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	4.0
58.06599	6.3
62.10500	0.9
69.03429	1.5
69.65497	2.4
69.65912	3.4
70.06565	1.6
73.28907	0.8
76.89137	0.9
84.08138	4.0
85.02937	0.9
87.54718	0.8
98.97569	12.2
100.11236	2.1
110.97578	2.2
112.99086	1.1
116.07079	1.1
116.98619	5.4
128.98627	2.0
131.00137	1.0
134.99675	1.8
143.00163	2.0
144.10229	4.8
146.99608	1.3
158.99684	1.1
161.01233	2.1
161.02991	1.0
163.02734	2.2
182.05730	1.0
184.06444	1.5
185.01270	1.0
198.04456	1.0
200.05974	6.9
202.07472	1.2
203.02271	2.3
216.05437	1.3
218.06996	7.9
219.01770	2.3
227.92862	1.0
237.02866	4.0
242.06998	100.0
243.07281	2.2
254.07028	9.1
260.08060	47.1
272.08020	12.1
283.09671	2.4
302.09052	6.2
307.07071	3.5
325.07938	1.9
332.10049	1.6
362.11124	1.2
422.11389	3.9
423.14145	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.6
56.96551	7.9
57.03424	2.4
58.99586	12.9
60.04502	3.0
61.15528	2.7
65.42455	2.3
67.05491	2.9
69.03415	7.7
69.07061	9.6
69.20614	25.5
70.06590	16.6
71.04993	2.7
72.08169	3.4
72.43085	2.3
73.02926	3.0
74.00645	3.2
74.06051	4.9
76.02228	79.1
76.03991	5.0
79.05486	10.1
81.03396	6.2
82.06571	7.0
84.04500	33.7
84.08128	10.2
85.02889	7.9
85.04018	6.7
86.99033	6.2
88.02232	2.3
92.01674	2.8
93.06973	2.9
95.04939	4.0
97.02883	6.4
97.06529	100.0
97.07158	4.8
98.21587	3.9
98.97610	4.2
99.04486	2.2
99.05585	3.9
100.07613	2.4
106.02929	3.1
109.02886	3.1
112.03951	4.1
114.05547	3.3
116.01699	22.8
116.07085	9.1
116.98568	3.9
120.08071	5.4
121.64330	2.2
124.03153	2.3
124.03925	11.7
127.03925	4.5
128.07088	43.6
129.10243	5.9
130.05003	20.2
131.04489	6.6
136.07544	2.1
142.03189	7.0
144.01128	10.8
144.06522	3.0
145.06082	5.9
147.04379	2.4
154.06870	7.5
157.07611	2.4
162.02208	40.5
172.07904	5.5
177.03281	22.8
179.04866	79.8
185.03799	2.9
188.09109	2.8
233.05908	18.6
251.09500	3.4
257.09421	2.8
269.10690	11.3
277.07553	3.8
288.06625	2.8
291.06326	4.2
295.08643	9.3
308.09094	36.3
313.09573	6.6
332.13263	2.9
336.11069	3.0
364.93921	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.7
50.42821	0.5
51.02377	1.1
53.03947	3.4
55.01865	0.8
57.03429	1.6
68.99783	0.7
69.03423	8.9
69.07065	0.5
69.25199	3.7
70.06596	3.2
71.04962	1.2
72.08150	0.8
73.02893	1.3
78.03448	17.8
80.04997	2.4
81.03414	20.3
81.07051	0.5
84.04483	0.6
84.08144	1.2
85.02901	8.9
86.09698	1.8
93.07035	0.6
95.04932	0.6
95.08611	0.5
95.58372	0.5
96.02115	1.9
96.04481	5.5
97.02892	5.9
97.06495	0.7
99.04439	3.4
106.02911	74.4
107.03253	1.7
109.02876	13.4
115.04018	0.5
116.07074	0.6
119.08498	0.5
120.08155	0.8
121.02834	0.5
124.03947	100.0
125.04281	1.7
127.03910	9.3
129.10191	0.9
132.64909	0.4
133.10210	0.5
134.00957	0.5
136.07549	0.7
137.02335	47.9
138.02640	1.0
145.04950	1.2
149.02303	0.5
166.05051	1.3
169.27951	0.5
188.03716	1.3
196.06059	1.2
208.06026	0.7
232.05989	1.1
250.07101	33.5
251.07487	1.7
268.08154	37.6
269.08530	2.3
278.11417	1.0
400.40948	0.5
404.09747	21.9
405.10123	1.8
422.10791	15.7
422.15536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36798	2.8
56.96567	83.4
66.01276	2.8
66.55434	2.7
69.03411	3.5
70.06097	11.2
70.06592	5.5
71.95253	3.7
72.98721	2.6
74.97636	2.6
76.02209	3.6
84.04482	3.7
84.96028	4.8
85.02903	4.8
87.47811	2.8
97.02929	4.7
97.06551	4.1
98.97585	27.2
105.03407	8.0
115.00705	15.1
116.00194	3.1
116.07095	5.7
116.98623	20.6
119.01906	2.9
127.03883	3.4
128.98619	5.5
133.01726	13.3
134.99649	7.5
140.98619	3.3
141.02274	2.9
143.00121	4.9
147.04367	4.6
151.02678	3.1
158.99644	9.9
159.03278	4.4
161.01283	4.8
173.04875	3.1
177.00681	7.7
179.04860	5.4
199.06557	2.7
211.06450	9.1
216.05443	4.5
225.04364	3.9
225.07898	7.0
229.07533	6.7
233.08575	4.4
234.06433	5.2
239.05963	4.3
243.09114	3.3
248.99197	4.4
249.07999	6.2
251.09547	46.3
251.11940	5.4
258.06558	4.3
259.06412	6.7
267.00336	6.4
267.09015	15.2
269.10617	85.5
274.11551	3.0
276.03128	2.7
277.07501	42.7
285.01126	3.1
285.10022	9.5
287.11664	8.6
290.68008	3.3
293.10648	17.2
295.08548	100.0
311.11572	21.8
313.09564	68.4
314.10388	3.9
331.10638	13.0
336.11176	4.8
422.11362	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	421.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
53.88802	1.9
55.01887	2.3
55.05509	8.5
57.07074	5.5
65.52461	2.1
67.05498	16.0
69.07070	22.4
69.39968	19.0
79.05500	10.6
81.07064	27.3
83.08635	5.6
85.06568	2.5
87.96198	2.3
91.05492	10.3
93.07048	12.6
95.04973	5.8
95.08611	31.5
97.06541	3.0
97.10144	3.5
105.07021	17.2
107.08607	20.1
109.06474	2.6
109.10152	36.0
117.07024	3.6
119.08585	17.8
121.10145	16.6
123.08083	4.6
123.11739	12.0
129.06993	3.3
131.08574	8.7
133.10138	15.9
135.08041	3.0
135.11722	7.7
137.13246	17.7
142.07838	3.1
143.08545	5.4
145.10118	15.4
147.11707	10.6
149.13260	7.5
155.08604	4.6
157.10150	16.5
159.11687	14.2
161.13226	11.4
163.14836	4.8
169.10124	6.1
171.11703	10.5
173.13251	9.6
175.14847	4.0
177.16382	3.4
181.10139	2.6
183.11700	6.4
185.13269	8.1
187.14871	9.6
189.16391	4.8
191.18018	3.3
197.13301	6.8
199.14717	12.3
201.12750	2.8
201.16452	7.0
202.31618	2.1
203.17944	3.3
209.13142	3.7
211.14857	6.1
213.16394	8.2
215.17880	3.3
223.14877	3.1
223.58401	2.2
225.16469	6.0
231.17416	4.1
241.19638	2.5
251.17899	2.3
257.19183	2.6
283.20483	2.7
285.22238	3.5
290.92450	2.1
293.22656	2.6
295.24124	2.9
311.23770	6.4
344.33627	2.9
351.26837	3.9
365.28485	4.0
379.29855	2.9
403.24786	3.3
403.33728	15.6
409.62665	2.5
421.26547	5.4
421.28149	4.3
421.34662	100.0
422.34729	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	421.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22682	0.7
55.05515	7.5
55.89134	0.7
57.07076	6.9
67.05505	13.6
69.07068	17.1
70.72486	1.6
70.72890	1.5
74.12004	0.6
79.05493	3.9
81.07057	19.5
83.08625	8.4
89.06011	1.3
91.05478	5.1
93.06556	0.9
93.07050	8.7
95.04981	1.4
95.08611	24.9
97.10155	3.1
99.08112	1.7
103.05521	0.8
105.07026	8.1
107.08598	13.7
109.06557	0.8
109.10157	33.1
111.11729	1.2
112.26635	0.6
117.07026	2.4
119.08577	10.9
121.10143	12.2
123.08054	5.7
123.11706	10.4
125.09587	1.3
129.07028	1.9
131.08543	5.1
133.10132	7.5
135.11688	6.5
137.09645	1.1
137.13261	14.9
142.07771	1.1
143.08534	5.1
144.09348	0.8
145.10115	9.0
147.11693	5.2
149.13283	4.3
151.11220	1.4
151.14827	1.6
155.08540	1.9
156.09315	1.9
157.10117	7.5
159.11699	8.5
161.13232	6.9
163.14833	4.4
167.08467	0.9
169.10144	2.8
171.11705	6.7
173.13242	9.5
175.14848	3.0
177.12778	0.9
177.16447	2.3
181.10109	1.4
183.11687	3.8
184.19772	0.6
185.13275	6.3
187.14812	8.4
189.09065	0.6
189.16417	2.6
191.17998	0.9
195.11719	2.9
196.12375	1.1
197.13287	4.3
199.14818	4.6
201.09224	0.8
201.16367	3.8
207.11678	1.6
209.13292	4.3
211.14795	4.1
212.15359	0.9
213.16365	4.9
215.17982	2.1
217.19450	0.9
221.13310	1.0
223.14796	4.3
225.16312	4.8
227.14368	0.8
227.17943	4.3
229.19504	0.9
231.17435	1.2
231.21028	0.8
234.42262	0.7
235.14915	2.1
237.16374	3.0
238.16948	1.0
239.17941	4.1
241.15945	1.8
241.19507	2.3
243.21098	1.4
245.19048	1.0
249.16412	1.4
250.17227	0.9
251.18047	2.5
253.19545	2.6
255.17569	1.9
255.21059	1.4
257.19022	2.1
260.23996	0.8
263.17902	1.5
265.19586	1.9
267.17288	1.1
267.21130	2.0
269.19022	1.7
269.22662	3.5
271.20386	1.7
271.24402	0.9
273.22229	0.9
277.19489	2.0
279.21124	2.7
281.19202	1.0
281.22528	1.5
283.20609	5.4
283.23868	1.4
285.22137	2.2
291.21121	1.3
293.22482	1.9
295.20544	2.5
295.24088	1.2
297.22147	3.1
297.25412	1.7
299.24088	0.9
307.24289	1.1
309.22131	4.3
309.25574	1.5
311.23636	6.6
319.24380	0.9
321.25787	0.9
323.23718	2.0
325.25314	0.9
333.25821	3.5
335.27213	4.3
337.25470	1.9
339.26791	2.6
347.27567	1.0
351.26880	5.9
353.28339	1.1
365.28247	5.0
379.29877	2.2
388.31445	1.5
403.33578	13.5
421.34644	100.0
422.34967	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.1
55.01865	6.5
55.05514	18.8
57.03450	8.5
57.07075	9.6
59.05012	1.7
66.60053	1.7
67.05510	30.1
69.03431	2.0
69.06725	2.8
69.07068	29.5
69.65000	1.2
71.04977	3.0
71.08617	3.8
71.53002	1.7
79.05492	19.9
81.03434	1.7
81.07057	34.3
83.04965	5.0
83.08624	9.4
85.06541	9.3
91.05477	14.2
93.07051	32.2
95.04984	8.2
95.08608	39.0
97.06518	14.8
97.10155	2.8
105.03378	2.3
105.07030	15.7
107.08604	27.7
109.06519	19.7
109.10158	12.8
111.04465	5.9
111.08080	7.3
117.07002	3.2
119.08578	13.7
121.06505	4.6
121.10134	13.9
123.08065	11.0
123.11694	5.4
125.05989	5.6
125.09618	2.1
129.07077	1.7
131.08543	4.0
133.10100	12.3
135.08070	20.5
135.11679	19.4
137.06007	18.3
137.09618	4.2
137.13257	2.5
137.42775	1.6
139.07626	1.9
145.10130	6.8
147.11697	5.4
149.09604	4.6
149.13268	5.1
151.07568	6.1
151.11223	3.5
151.14812	2.3
153.12762	3.3
157.10129	4.6
159.11679	4.8
161.09576	2.5
161.13306	3.8
163.11171	4.0
163.14819	2.3
165.09177	2.2
165.12784	5.4
167.14343	2.0
171.11716	4.1
173.09575	1.5
173.13203	3.2
174.00252	1.7
175.11215	2.5
175.14798	1.6
177.12700	11.0
179.14319	6.5
181.12247	7.2
183.11824	1.7
185.13284	2.8
187.03833	2.2
187.14874	3.1
189.16414	1.9
193.12291	2.3
195.11816	2.0
195.13693	1.9
198.08362	1.5
205.15894	2.6
221.19031	6.9
231.02937	3.7
235.20508	5.2
243.17352	1.7
263.20123	5.2
287.23825	2.4
299.09247	2.2
305.24734	80.3
306.25055	2.9
319.26334	24.4
329.21155	3.1
329.24857	5.0
337.27341	2.7
347.25824	100.0
348.26215	4.3
365.26950	11.3
375.19598	2.7
393.29904	6.6
403.28799	2.8
403.33472	2.9
421.20770	2.4
421.29593	48.6
421.34698	8.8
422.30026	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01866	4.4
55.05511	8.6
57.03443	9.8
57.07077	33.2
57.75537	1.2
65.03947	1.7
65.46722	1.3
67.05508	15.6
67.44075	1.3
69.03429	1.9
69.07066	14.5
69.43068	10.7
70.06580	2.4
70.07406	1.2
71.04993	1.3
79.05495	10.2
81.07052	26.0
83.04988	3.9
83.08624	5.8
85.06543	17.4
88.07629	1.2
91.05476	8.7
91.80503	1.3
93.07048	15.4
95.04972	4.9
95.08602	16.4
97.06544	4.2
97.10175	3.2
105.03400	5.7
105.07042	10.4
106.03725	3.3
107.08591	14.8
109.06522	15.9
109.10158	7.6
111.04478	2.1
111.08092	3.1
117.07053	2.7
119.08586	10.8
121.06512	2.3
121.10160	8.4
123.08073	9.9
123.11749	3.7
131.08592	4.8
133.10129	8.1
135.08058	18.8
135.11707	6.6
137.05977	23.7
137.09619	1.6
137.13208	1.4
139.90816	1.2
143.08603	2.1
145.10144	4.9
147.08073	2.5
147.11705	6.1
149.09624	5.6
149.13281	2.5
151.07521	7.2
151.11206	3.2
153.12762	1.6
157.10162	3.9
159.11703	3.6
161.09602	3.0
161.13261	2.2
162.03136	3.8
163.11223	2.9
163.14867	2.2
165.09142	2.1
165.12749	7.0
171.11739	1.6
173.13274	1.8
175.03958	1.9
175.11281	2.3
175.14842	1.4
177.12743	7.7
179.14314	3.7
183.11707	2.4
184.04462	2.9
185.13306	1.5
187.14835	1.4
189.12814	1.4
191.14342	3.8
193.12268	3.5
195.13908	1.6
207.13760	6.1
213.16531	1.8
231.02917	1.9
233.19084	3.6
263.20187	4.0
277.18121	1.7
290.24454	1.4
291.19724	1.3
301.25024	1.5
305.24780	1.6
319.26260	11.2
329.21118	3.1
329.24884	4.4
337.27521	7.0
339.00003	1.5
347.25800	100.0
348.26199	3.5
365.26859	19.5
393.30008	11.3
403.28580	4.1
421.29565	61.0
421.78497	1.9
422.30295	1.9
430.41592	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
54.49098	1.1
55.01884	2.9
55.05506	4.4
67.05511	5.4
69.03435	3.6
69.07088	2.0
70.06606	3.1
71.52000	1.5
73.02933	1.5
79.05488	5.3
81.03412	4.5
81.07074	7.8
83.04989	1.9
83.08640	1.4
85.02918	2.8
87.00818	1.5
88.88759	1.2
91.05491	4.3
92.04971	1.3
93.07049	3.9
95.04974	1.4
95.08622	3.8
102.56819	1.2
102.94975	1.3
103.05445	1.7
105.07043	5.1
107.04971	2.2
107.08602	4.0
109.02895	1.6
109.10182	4.5
117.07044	1.8
118.06583	1.9
119.08590	2.8
120.04457	6.0
120.08114	1.4
122.10448	1.6
124.63721	1.4
127.03880	1.7
129.07039	1.8
130.06517	10.1
131.08571	1.3
132.04517	6.2
133.02856	1.3
133.06458	2.1
133.10188	1.4
137.06010	1.7
143.08594	1.4
144.08037	3.0
145.06566	1.2
145.10123	2.0
146.05994	6.3
151.03876	1.8
157.10127	2.1
158.06024	27.2
159.11598	1.5
162.05357	1.6
167.07207	3.8
168.07475	1.6
170.05916	1.6
172.07602	2.8
172.11200	2.6
177.05463	1.4
181.04883	1.5
182.09680	11.8
183.06613	2.1
184.07594	2.8
188.06868	1.4
189.09087	7.3
196.07596	2.3
198.09180	1.6
200.10713	100.0
201.10999	3.1
218.08156	5.8
224.49496	1.3
238.12289	5.0
264.10214	1.5
264.13766	2.5
269.15152	1.8
282.11264	1.8
320.12854	5.1
344.65143	1.3
346.14438	2.6
368.67981	1.4
402.20450	2.5
420.21704	4.0
420.31201	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	420.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.4
51.36993	2.1
53.03946	4.3
55.01869	4.3
55.05504	3.1
56.05017	2.1
57.03438	22.3
59.04994	6.9
60.04518	9.3
61.13550	2.2
61.18354	2.1
65.03970	3.0
69.03431	72.5
70.06594	22.2
71.04993	3.2
71.52797	2.2
72.08157	9.0
73.02914	4.1
79.05504	5.6
81.03412	8.5
81.07062	4.9
82.06616	2.7
84.04515	6.6
84.08142	9.3
85.02905	66.3
86.09706	13.6
87.04464	58.5
91.05483	100.0
93.07045	4.0
95.04969	3.6
95.08641	2.3
96.04494	9.6
97.02893	72.1
97.06541	3.6
98.06098	2.3
99.04453	4.0
105.03401	13.2
105.07063	6.8
107.04952	12.7
109.02887	6.2
109.06513	3.5
110.05996	3.0
110.07188	4.6
112.08739	2.9
115.03933	89.1
119.04938	3.7
120.08089	3.5
121.02872	14.7
121.03613	2.0
121.68260	2.2
124.07610	4.5
127.03880	12.0
128.07088	6.8
129.06990	3.6
131.04877	2.5
133.04970	98.2
133.06470	6.9
133.10149	2.6
137.02322	2.9
137.05974	3.1
139.03871	2.5
140.05652	2.2
145.04958	13.8
145.06319	4.1
150.07600	14.5
151.03966	2.4
154.12289	4.1
161.04489	4.5
161.05878	2.9
162.09132	3.0
163.05980	4.0
169.04880	2.6
172.09734	3.0
189.01840	5.0
191.03432	2.9
193.05228	2.4
205.06834	2.6
205.08667	3.7
207.03014	3.9
217.08560	2.8
223.06107	2.4
223.09651	9.7
229.05037	5.3
243.03493	14.6
253.10721	3.2
257.04385	3.9
259.08231	5.1
271.02979	5.7
279.06476	3.3
283.06094	4.0
285.03989	7.3
286.05209	14.8
294.05313	8.0
295.05978	6.4
295.10251	4.2
297.07541	3.3
303.05017	2.4
307.06039	24.8
308.06891	5.1
309.07526	2.6
314.28952	2.4
319.21094	2.8
320.06882	3.0
321.07608	9.1
322.08337	6.0
325.07056	15.2
337.07047	4.4
347.09064	5.6
349.06915	4.3
351.08673	2.7
357.07437	2.9
358.04053	4.8
365.10214	6.4
375.08603	11.6
376.16525	7.0
377.06409	4.6
402.02835	25.7
403.03116	2.5
403.08026	38.0
420.15814	12.9
421.09164	81.9
421.14935	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
69.83336	4.4
78.68463	0.6
99.04459	3.7
103.34306	0.7
111.04448	2.6
125.05990	8.2
141.05450	5.7
149.02422	1.0
153.05470	100.0
154.05807	2.1
309.70032	0.8
379.32590	0.8
419.35187	34.1
420.35425	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.01872	3.2
55.05510	4.7
57.03424	3.5
67.05492	2.6
69.03418	13.4
69.07066	3.8
70.06591	28.8
71.04981	3.1
72.08154	13.9
79.05489	8.5
81.03427	19.3
81.07053	7.6
82.06581	2.5
82.07369	2.3
83.04989	3.1
84.04498	2.6
84.08151	9.1
85.02899	24.4
86.03226	3.9
86.06057	3.1
86.09698	11.1
87.00870	3.2
91.05511	2.9
92.33839	2.2
93.07075	3.3
95.04935	9.9
95.08588	3.8
97.02882	9.7
97.06544	3.5
98.21522	5.1
99.04494	3.6
99.08071	2.6
101.05996	2.6
105.03388	100.0
106.03724	2.2
107.04956	3.2
108.83485	2.4
109.02888	11.5
109.06551	2.6
110.06078	2.4
110.07166	8.2
111.08103	2.8
112.07627	3.4
114.05561	2.6
117.06992	2.8
120.08092	5.1
121.02856	2.7
123.04416	14.4
123.08095	2.3
123.11746	2.5
124.03937	4.7
127.03904	13.3
128.07092	13.4
129.10254	4.3
133.10056	2.6
135.04337	2.3
135.08083	4.1
145.04991	4.2
153.12753	3.7
162.09225	2.0
171.13763	4.0
172.14140	6.0
177.05502	3.5
188.09415	2.3
223.13301	2.7
240.10277	10.3
249.07642	11.1
258.08640	3.6
259.11188	2.3
267.08615	29.7
268.08508	2.4
332.13174	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	419.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.2
55.01868	15.0
55.05494	7.4
55.39282	3.3
57.03442	22.9
57.07082	30.7
59.04986	10.2
60.82939	3.3
61.02923	7.6
67.05517	15.9
68.99786	8.1
69.03427	46.7
69.07085	15.1
69.23796	12.5
69.24229	19.0
70.06585	9.6
71.04998	14.9
72.08141	7.7
73.02911	10.9
79.05479	8.6
81.03419	60.3
81.07056	18.8
83.04950	5.6
83.08606	5.2
84.08118	5.5
85.02905	100.0
85.06544	16.0
86.09710	6.2
87.00835	40.3
87.04446	5.8
91.05476	10.0
93.07063	16.4
95.04962	7.6
95.08605	53.2
97.02895	38.3
97.06535	11.5
99.04440	21.4
99.08089	14.7
105.01884	28.7
105.07028	5.0
107.04977	5.0
107.08604	18.0
109.02885	54.9
109.06507	8.5
109.10146	15.2
111.08051	9.4
113.09664	47.3
115.03920	4.5
117.01842	4.9
119.08565	4.9
120.08111	3.1
121.10175	4.4
123.04344	4.3
123.08037	3.6
127.03918	87.6
127.11214	7.4
129.01817	7.4
129.10191	3.7
135.11676	16.9
136.06264	4.5
137.09625	4.0
137.13269	8.1
143.45467	3.6
145.04953	29.4
147.02846	4.6
147.11775	3.4
153.12730	95.6
155.14290	21.1
159.02892	28.5
162.09142	3.0
167.05661	2.9
167.07030	8.4
171.13806	36.6
181.04970	5.6
191.07048	5.1
213.03947	6.3
213.14738	3.6
231.05002	14.9
258.07681	17.7
271.98938	3.0
313.11682	6.4
323.36719	3.5
359.12289	6.9
419.14297	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	419.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.1
55.01869	17.9
55.05510	2.8
57.03434	27.5
57.07068	12.3
61.02916	7.0
67.05502	5.1
68.99785	5.3
69.03427	65.6
69.07060	8.0
69.41702	5.0
69.42119	10.5
70.06584	5.7
71.04986	18.9
72.08130	2.5
73.02923	13.5
75.80762	1.8
79.05486	4.6
81.03415	63.1
81.07047	17.6
83.04977	5.7
83.08616	3.0
84.08145	3.2
85.02901	100.0
85.06545	8.5
86.09698	3.5
87.00827	44.6
87.04449	2.4
91.03930	4.2
91.05463	6.3
93.07052	14.5
95.04944	4.1
95.08617	15.3
97.02885	37.1
97.06513	7.8
99.04437	23.7
101.09657	4.2
103.03947	2.7
105.01863	29.0
105.03371	4.4
105.07011	3.8
107.04964	3.3
107.08566	15.6
109.02875	64.0
109.06507	3.5
109.10151	10.2
110.03117	2.4
110.07167	2.6
111.08041	2.7
113.09643	16.8
117.01826	6.4
119.08593	3.4
121.10221	3.2
123.04436	2.8
125.09570	2.0
127.03909	81.1
128.04298	2.5
129.01830	6.9
131.80122	2.2
133.10126	2.3
135.08064	3.3
135.11696	29.7
137.09596	5.6
137.13295	3.7
145.04953	25.2
145.10068	2.9
147.02873	7.4
153.12750	42.6
156.95494	1.7
159.02866	32.6
159.11687	2.9
162.09171	3.7
163.81787	1.9
167.07002	4.8
168.99628	2.5
171.13802	69.9
171.15291	3.7
172.14149	2.5
175.07477	2.1
177.05496	2.5
181.05032	3.3
191.06960	2.0
191.41333	2.2
213.03873	3.4
231.04977	13.2
243.05180	3.2
257.06717	3.5
258.07614	11.9
275.05524	2.0
304.26990	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	419.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.8
54.25527	2.3
55.01870	8.6
55.05511	8.4
57.03436	6.5
57.07082	14.1
59.05005	9.2
61.02931	2.5
67.05504	9.4
68.99791	3.5
69.03429	31.8
69.07072	12.1
70.06591	9.6
70.55955	6.2
70.56313	2.8
70.72224	2.1
71.04988	6.9
72.08170	14.5
73.02915	4.6
79.05488	7.2
81.03421	27.2
81.07079	16.8
83.04974	5.1
83.08595	3.7
84.08118	3.2
84.97068	2.2
85.02906	47.1
85.06546	10.0
86.09710	6.9
87.00841	13.5
87.04468	2.3
91.03968	2.9
91.05485	4.1
93.07047	9.0
95.04993	7.5
95.08607	33.0
97.02888	17.9
97.06524	6.3
99.04446	12.2
99.08081	21.1
105.01884	10.4
105.07050	6.5
107.04932	4.0
107.08595	13.1
109.02882	27.0
109.06521	9.0
109.10162	14.3
110.07204	2.8
111.08096	7.1
113.09651	11.4
121.06480	3.1
123.04487	4.1
123.08077	2.6
125.09598	3.6
127.03922	33.2
127.11214	7.0
128.06250	3.0
129.07022	3.9
129.10291	3.0
130.26672	2.6
133.06604	2.7
135.08055	4.2
135.11659	12.2
145.04962	14.2
151.03886	4.2
151.11218	3.6
153.12752	100.0
155.14354	10.4
157.07658	2.7
159.02921	8.0
159.08066	4.6
167.07072	10.2
170.07266	5.8
171.13797	14.6
173.09793	3.1
177.12720	3.0
181.04964	2.7
183.06522	7.6
187.07498	3.2
195.13748	4.8
217.08617	5.8
219.10159	11.0
231.05058	6.3
231.10236	8.1
247.07344	2.6
263.05621	3.2
277.08624	3.5
315.08664	3.8
376.96692	2.7
401.16086	16.3
419.18823	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	419.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
54.23270	1.8
55.01871	9.5
55.05507	9.6
57.03439	16.7
57.07080	12.9
59.27662	1.9
60.04515	2.1
61.02910	2.4
67.05497	6.6
68.99794	5.3
69.03048	3.0
69.03424	53.0
69.07056	8.6
69.85750	7.6
69.86164	3.9
70.06591	100.0
71.04985	19.7
71.06890	2.6
72.08157	16.2
72.27042	2.0
73.02903	6.3
79.05491	7.9
81.03418	19.0
81.07065	15.1
82.06576	5.2
83.04986	9.7
84.08134	5.5
85.02907	61.0
85.06535	9.0
85.07669	25.6
86.09703	4.6
87.00812	11.7
91.05468	8.5
93.07045	6.8
95.04958	9.0
95.08598	5.7
97.02898	14.8
97.06523	4.6
98.06047	3.1
98.20819	2.2
98.75581	2.0
99.04449	7.6
99.08077	8.4
103.05476	3.9
105.01866	5.5
105.03370	2.7
105.06990	2.6
107.04951	13.8
107.08595	4.2
107.99394	2.1
109.02878	15.6
109.06513	4.2
109.10162	6.6
111.04446	8.2
111.08064	6.6
117.01859	2.4
119.04934	6.3
119.08549	2.3
120.08101	23.8
121.02864	4.0
121.06474	5.2
123.04375	3.5
123.08075	2.7
125.06015	4.3
125.09659	2.7
127.03906	21.9
127.11182	2.7
128.07089	15.9
129.01843	2.7
129.05449	3.6
131.04927	3.4
135.04414	22.6
135.07986	2.6
135.11703	3.5
137.02486	2.5
137.05977	3.8
145.04921	7.5
147.04413	19.5
147.08047	2.4
148.07541	2.2
149.02348	2.9
149.05919	1.9
151.11198	2.9
153.01831	18.7
153.05461	2.2
153.09149	2.7
153.12750	25.3
155.14320	16.4
159.02881	6.9
161.06088	2.9
163.03874	6.2
165.01814	22.3
169.13379	15.9
171.02988	3.4
171.04376	2.4
171.10121	3.6
171.13759	15.3
175.03949	2.9
175.10913	4.7
177.01860	6.9
177.05450	3.5
177.12749	3.7
179.03384	2.6
183.02895	11.5
189.05397	3.1
191.03423	14.4
193.04927	2.6
195.02884	75.3
195.13799	3.3
196.03119	2.5
197.12837	8.7
203.03380	15.0
207.02904	2.8
213.03973	2.1
217.04945	6.5
217.13524	11.3
219.02885	26.0
221.04498	5.8
231.04898	3.2
237.03951	3.1
242.08656	2.2
245.04448	43.1
245.12875	12.7
246.04881	2.6
258.08737	5.7
263.05505	58.3
264.05746	4.3
272.16058	16.2
273.07626	17.9
281.06613	3.4
284.14615	2.3
285.07623	12.1
291.41837	2.4
297.07574	7.4
315.08517	12.3
321.59351	2.0
339.08618	16.6
344.19821	5.2
353.72552	2.1
360.47012	2.3
365.10114	14.2
383.11322	25.7
384.11868	2.7
391.38864	2.1
401.12094	4.6
419.13403	10.4
419.22882	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	419.185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.3
51.02381	1.0
53.00298	0.3
53.03947	5.3
55.01869	0.4
67.05540	0.5
69.07067	17.6
70.27327	0.9
70.80013	0.2
77.03893	1.5
79.05473	0.5
81.03436	0.6
91.05471	1.1
95.04969	10.0
105.03391	100.0
105.04533	3.1
106.03729	2.0
115.05499	0.6
117.07005	0.6
119.04950	0.6
123.04431	0.7
128.06233	0.6
131.04921	3.1
131.08574	0.3
133.95386	0.3
145.06503	0.6
147.04391	3.1
155.08553	0.3
155.77031	0.3
159.04419	6.6
159.05659	0.5
160.04846	0.3
173.05965	2.0
175.03902	17.9
176.04309	0.6
187.03902	16.7
187.07448	1.9
188.04193	0.7
189.05481	0.6
194.55954	0.3
199.03952	0.6
201.05466	4.5
201.09088	0.4
211.07515	0.3
213.05490	0.5
214.06290	0.4
223.07588	0.5
229.08595	40.2
230.09019	1.5
241.08647	2.4
243.10181	1.9
297.14874	0.6
329.41840	0.3
351.12247	3.8
419.18378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
57.03426	3.6
60.04498	1.7
60.54872	1.2
61.02908	1.2
65.58469	1.3
69.03426	13.5
69.07058	3.7
69.65546	6.6
69.65957	2.3
70.06586	5.2
71.04989	2.4
72.08142	3.0
79.05491	12.4
81.03422	9.9
81.07053	2.6
82.06596	7.3
83.06897	2.4
84.59789	1.3
85.02902	19.3
86.09720	9.9
91.05480	1.9
95.04967	7.1
95.08600	1.8
97.02882	5.7
98.97568	1.6
99.04437	3.5
100.07596	2.3
105.03391	100.0
107.04948	1.5
107.08627	2.0
109.02890	5.3
110.07131	1.6
116.07114	1.9
116.98676	2.1
121.06499	1.8
123.03561	2.2
123.04421	19.5
127.03922	8.3
128.06111	2.1
128.07082	43.9
129.07420	17.6
129.10240	1.5
145.04918	1.9
160.92567	1.2
165.09970	1.4
173.12894	3.0
176.14325	1.4
188.09096	1.4
195.02872	1.5
201.12358	1.5
231.06551	2.1
243.76385	1.3
249.07642	9.4
255.48512	1.4
267.08633	24.5
333.14490	2.8
350.14532	2.3
351.14655	9.2
375.16275	3.2
392.90643	1.3
402.03186	1.7
419.15018	7.3
419.20392	2.9
428.76913	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
54.79750	2.6
55.01860	5.1
55.05484	3.4
62.73691	2.6
67.05493	20.5
69.03423	8.6
69.07052	4.9
79.05489	9.1
81.03417	34.3
81.07056	6.9
84.12025	2.5
86.00362	2.9
91.05462	18.1
93.07040	10.8
95.01332	57.2
95.04967	45.5
95.08620	5.8
97.02869	3.9
103.05513	5.0
105.07023	20.1
106.47372	2.5
106.60522	2.6
107.04949	7.0
107.08583	7.2
109.06554	5.2
111.27997	2.8
115.05459	4.2
117.06992	7.9
119.04942	4.2
119.08575	11.7
121.02863	2.9
121.06494	7.7
128.06210	10.5
129.07031	9.8
131.04909	15.3
131.08580	9.5
133.06502	14.9
135.08073	4.5
141.06949	6.7
142.07779	8.7
143.08565	22.3
145.06454	14.9
145.10121	6.4
147.08057	7.4
149.44313	2.9
153.06975	7.0
154.07773	5.1
155.08568	12.7
156.09355	5.3
157.06456	8.7
157.10144	10.5
159.08055	7.4
161.05943	24.4
161.09546	5.3
165.07027	6.1
166.07797	5.1
167.08565	9.6
168.09311	5.0
169.06519	4.1
169.10135	30.1
170.07349	4.7
170.10831	3.8
171.08037	67.0
171.11678	4.6
172.08475	2.9
173.05974	4.9
173.13301	3.5
175.07533	8.9
178.07796	6.4
179.08649	15.7
180.09329	4.5
181.06441	3.9
181.10129	12.0
182.07213	4.0
182.10846	3.7
183.08072	10.2
183.11639	7.9
185.09621	8.6
185.13249	5.4
191.08542	6.3
192.09334	9.8
193.10107	14.3
194.10873	3.8
195.08072	14.1
195.11737	12.6
196.08844	4.6
197.09634	11.2
197.13208	5.5
199.11223	3.5
201.05440	8.4
201.09177	4.1
201.12741	5.8
202.07777	9.2
203.06955	3.6
203.08624	9.4
204.09334	7.8
205.10152	11.4
206.10986	3.3
207.08115	8.4
207.11754	11.0
208.08844	10.3
209.09586	14.3
209.13371	4.4
211.07695	4.3
211.11243	14.2
213.12746	24.1
215.08629	7.4
216.09351	10.0
217.10229	12.5
218.10800	5.7
219.08282	6.0
219.11607	15.8
220.08855	8.2
221.09653	19.0
221.13278	9.7
222.10413	4.5
223.07494	6.6
223.11145	8.7
225.09154	6.2
225.12756	6.4
227.08574	3.8
227.10640	4.0
228.09558	4.8
229.10201	11.9
230.10959	6.5
231.08098	9.4
231.11684	12.5
232.08844	11.5
233.09695	15.9
233.13239	4.2
234.10410	7.4
235.07568	4.5
235.11220	27.7
235.14832	4.2
237.09082	6.4
237.12727	8.3
239.10728	3.3
241.10133	7.6
242.07289	3.0
243.07956	5.1
243.11707	7.2
244.08891	5.6
244.12465	4.7
245.09625	24.4
245.13191	4.4
246.10507	15.6
247.11179	23.8
248.11916	7.5
249.09023	6.9
249.12787	8.6
251.10699	12.1
251.14317	4.3
253.12450	4.4
254.10860	3.9
255.08144	5.0
255.11678	3.9
256.08997	4.2
257.09598	10.1
257.13333	8.3
258.10455	8.2
259.11249	15.5
259.14883	7.0
260.12039	4.7
261.09326	3.4
261.12799	7.8
262.13449	3.7
263.10721	11.2
263.14301	5.8
265.08588	6.5
265.12286	5.4
269.09497	9.6
269.13519	4.5
270.10379	15.4
271.11246	14.4
272.11969	7.4
273.09131	9.0
273.12726	16.8
273.15369	2.9
274.09634	3.3
274.13477	4.4
275.10733	5.0
275.14270	13.2
277.08768	4.6
277.12274	6.9
277.15869	8.1
281.11743	5.2
282.10214	4.7
283.11035	5.1
284.11850	6.4
285.09204	10.6
285.12750	19.2
285.15741	3.5
286.13400	3.7
287.10712	7.9
287.14310	15.5
288.15149	4.7
289.12253	8.3
289.15796	11.0
290.16644	13.0
291.10153	8.5
291.13705	6.2
293.11792	3.8
295.17050	3.5
296.11813	3.3
297.09424	3.9
297.12723	8.7
298.09906	12.3
298.13330	4.9
299.10565	6.4
299.14035	3.6
300.11389	6.9
301.12253	12.7
301.15668	3.6
302.13043	5.8
303.10281	4.8
303.13702	15.7
305.11972	5.9
305.15451	9.5
312.11270	4.0
313.12183	29.4
313.15527	6.8
314.12903	5.7
315.10510	3.6
315.13745	16.7
316.11023	6.5
316.14465	3.7
317.11948	7.3
319.13309	7.4
327.13800	3.7
327.17477	9.3
329.11786	4.4
329.15405	7.6
331.13293	20.8
331.16937	6.3
332.14066	4.5
333.14926	22.0
334.15695	21.1
341.11768	17.6
341.15170	3.2
343.17056	4.9
344.17758	5.5
345.18564	11.1
351.15698	5.3
355.16840	11.4
357.14624	6.1
357.18646	4.1
359.12762	52.3
359.16592	4.7
360.13068	4.9
363.19797	3.3
373.17889	41.4
375.19516	20.5
377.13712	30.8
383.16379	7.0
391.19070	14.5
401.17471	38.9
419.18527	100.0
420.18851	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	419.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77102	2.2
53.03928	2.7
54.63790	2.3
55.01857	9.3
55.05497	7.9
56.36282	2.6
56.60864	2.6
57.03435	12.7
57.07062	10.2
61.02922	3.3
67.05495	4.9
68.99794	4.8
69.03091	4.3
69.03431	63.5
69.07056	5.5
69.94051	12.4
70.06203	4.6
70.06593	89.8
70.55218	2.0
71.04998	15.8
72.08157	19.0
73.02921	5.0
75.02710	2.2
77.25745	2.0
79.05486	6.0
80.17782	2.5
81.03411	19.1
81.07047	10.1
83.04963	7.3
84.08138	5.5
85.02905	64.0
85.06550	6.5
85.07666	22.6
86.09704	6.9
87.00838	10.6
91.05469	7.3
93.07036	6.9
95.04978	8.7
95.08605	4.7
97.02889	15.3
97.06540	5.1
99.04446	8.4
99.08096	6.2
99.85452	2.1
103.05445	5.0
105.01833	4.8
105.07045	2.9
107.04935	13.4
107.08585	5.2
107.49793	2.1
109.02879	16.1
109.06501	3.0
109.10139	6.8
111.00780	2.8
111.04447	7.8
111.08119	5.1
113.14799	2.0
113.22326	2.2
115.05507	2.0
119.04935	9.5
120.08113	22.1
121.02889	3.4
121.06458	4.8
123.04456	5.5
123.08077	2.6
125.02312	4.9
125.05998	4.7
127.03919	17.4
127.11149	3.2
128.07118	4.7
129.05455	6.1
131.04903	5.0
133.10106	2.6
135.04424	33.0
135.08076	5.2
135.11699	3.1
137.05911	2.1
141.12695	3.6
145.04941	8.2
147.04408	31.1
149.02353	2.9
149.05981	5.5
151.11145	4.0
153.01822	21.9
153.09132	2.8
153.12721	22.8
155.14302	10.2
155.15466	2.6
159.02901	5.6
163.03883	5.3
165.01828	34.8
169.13449	11.9
171.02892	5.6
171.13812	17.4
173.06152	2.3
175.10892	4.3
177.01854	10.9
177.05516	5.4
177.12704	4.0
183.02884	17.3
191.03389	20.9
192.66418	2.2
193.05051	2.7
195.02890	100.0
195.13852	5.0
196.03154	3.1
197.12827	5.3
203.03351	20.5
207.02943	2.9
209.04355	2.6
213.03899	4.3
217.04958	10.5
217.13419	12.2
219.02882	39.0
220.03297	3.1
221.04398	6.3
228.26767	2.3
231.04897	3.1
237.04041	4.6
245.04460	58.1
245.12784	13.4
257.08118	3.0
263.05508	97.5
263.52740	2.3
264.05765	4.9
272.16116	16.3
273.07532	19.7
274.07623	4.1
281.06607	9.2
285.07556	12.1
297.07556	10.2
315.08649	19.4
323.09155	2.7
339.08627	24.9
344.19690	3.8
365.10269	24.2
383.11304	38.5
384.11475	2.6
401.12292	7.4
419.13461	19.3
419.22821	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	419.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01867	9.1
55.05517	9.7
56.05046	2.3
57.03434	17.5
57.07064	8.4
60.08045	1.9
61.02922	3.7
67.05499	4.2
68.99787	4.0
69.03432	63.0
69.03814	3.8
69.07071	11.3
69.45689	12.4
69.68153	2.0
70.06592	43.7
70.38960	2.1
71.04988	24.9
72.08163	12.0
73.02916	4.7
79.05496	5.5
81.03418	19.3
81.07055	15.0
83.04997	10.6
83.08646	2.7
84.08150	3.9
85.02906	71.4
85.06525	6.9
85.07655	17.9
86.09683	3.4
87.00836	13.0
91.05476	6.2
93.07046	8.3
95.04963	13.9
95.08606	6.6
97.02896	19.7
97.06517	11.8
99.04453	8.1
99.08098	9.5
105.01878	6.6
105.07036	4.7
107.04979	11.9
107.08577	6.2
108.90341	1.9
109.02872	16.7
109.06518	4.6
109.10154	7.4
111.04441	6.0
111.08079	6.7
116.07141	2.6
119.04941	8.5
119.08575	2.4
120.08091	12.5
121.02851	5.0
121.06496	5.6
123.04427	6.9
125.05994	6.5
125.09666	2.7
127.03925	21.2
127.11195	7.2
128.07085	3.0
129.01799	2.6
129.05493	4.1
131.04929	4.0
131.08521	4.1
133.06557	2.3
135.04417	30.7
135.08012	4.5
135.11690	6.0
137.05963	3.2
137.09641	3.2
137.13283	2.3
141.12746	6.1
143.08601	1.9
145.04915	10.2
145.10100	2.3
147.04424	30.7
149.02321	3.8
149.05913	3.0
151.03903	2.8
151.11186	5.6
153.01849	20.5
153.09137	3.9
153.12741	36.4
155.14311	12.0
159.02919	7.4
163.03912	4.8
165.01842	31.5
167.07103	2.4
169.13406	7.5
171.02876	5.4
171.04274	2.8
171.13786	22.7
171.15099	2.5
175.03926	3.6
177.01866	10.3
177.05441	4.2
177.12691	2.7
179.03423	5.4
183.02869	14.1
189.05515	3.0
191.03340	18.1
193.04948	3.4
195.02892	100.0
195.13809	4.0
196.03241	2.0
197.12866	3.8
199.11014	2.0
203.03419	17.8
204.05315	2.1
213.03932	4.5
217.05070	11.6
217.13399	4.6
219.02876	33.1
221.04512	6.9
231.04910	2.2
235.05971	2.9
237.03810	3.4
242.62051	2.0
245.04469	61.5
245.12872	4.6
246.04771	3.3
257.08105	2.9
258.16946	2.0
263.05521	75.4
264.05942	2.5
272.16080	6.9
273.07562	27.2
281.06616	7.4
285.07620	12.0
297.07617	10.4
315.08609	19.3
323.09146	3.8
339.08640	21.7
365.10123	20.9
383.11221	30.8
401.12247	7.9
419.13052	17.9
419.22739	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1332
Annotation	5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone
Peak:m/z	Relative Intensity
53.03945	1.4
55.01873	2.5
55.05500	1.2
57.03436	9.4
59.04993	1.0
65.03917	1.3
67.05479	1.1
68.99792	3.6
69.03429	45.7
69.51067	7.3
70.06589	1.8
71.04990	18.2
75.04486	1.0
78.38287	1.0
79.05477	2.6
81.03411	5.1
81.07037	1.0
83.04987	2.2
85.02908	36.3
88.45137	1.0
91.05470	3.5
93.07046	1.1
94.26374	1.0
95.04977	4.7
97.02907	2.4
98.21488	1.7
99.04435	2.8
105.07024	1.0
107.04955	10.6
109.02867	4.5
111.00771	1.6
111.04452	5.6
119.04956	6.0
121.02905	4.5
121.06493	4.2
123.04417	4.2
125.02352	2.8
125.05970	3.2
127.03903	2.2
129.05470	4.0
131.04901	2.1
135.03407	1.6
135.04417	31.5
141.01836	2.7
141.42686	1.0
147.04407	24.4
148.04662	0.8
149.02330	2.7
149.05977	2.7
153.00594	1.1
153.01834	21.9
153.05475	2.2
156.18576	0.9
161.05980	1.2
163.03905	6.4
165.01851	29.3
166.02306	1.1
167.06946	1.3
171.02873	4.7
171.04333	1.9
175.03926	3.6
177.01848	10.8
177.05476	3.2
179.03381	3.8
181.04861	1.8
183.02901	14.0
189.05473	1.2
191.03412	19.5
193.04982	2.8
195.02896	100.0
196.03220	2.4
199.03958	1.2
203.03395	18.0
205.01517	1.0
207.02931	4.5
209.04451	2.1
213.03946	2.4
217.04961	9.0
219.00732	2.0
219.02882	38.8
220.03340	1.6
221.04512	6.4
235.05882	1.9
237.03973	4.8
245.04463	50.9
246.04575	1.1
255.06369	1.4
263.05505	72.5
264.05817	2.4
273.07571	18.3
281.06467	7.1
285.07614	9.5
297.07596	8.7
299.07956	1.2
315.08545	16.4
323.09189	4.6
325.71988	1.1
327.08740	1.1
339.08667	21.0
365.10104	16.9
383.11240	32.3
384.11517	1.7
401.12262	5.6
419.13358	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	419.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01868	3.1
55.05514	1.2
57.03443	11.1
57.07063	1.1
61.02924	2.6
65.03919	1.3
67.05498	1.9
68.99802	4.2
69.03426	53.6
69.07037	1.3
69.39532	4.7
69.39960	4.3
70.06592	2.2
70.46088	1.2
71.04990	26.5
72.08126	1.7
73.02907	1.3
75.04463	1.0
79.05481	4.2
81.03410	7.8
81.07055	3.2
83.05000	3.4
85.02902	56.3
85.06528	2.2
86.03259	1.4
86.09715	1.7
87.00829	4.4
91.05480	4.4
93.03420	1.3
93.07040	3.9
95.04986	6.1
95.08592	3.9
97.02896	4.8
97.06528	1.6
99.04453	4.5
103.05465	1.7
105.01866	3.0
105.03390	1.3
105.07013	1.9
107.01295	1.2
107.04950	11.8
107.08577	2.8
107.21686	1.2
109.02895	10.0
111.00767	1.8
111.04467	6.2
119.04929	6.9
120.73233	1.1
121.02879	4.9
121.06521	3.5
123.04432	5.5
123.11668	1.5
125.02354	3.1
125.05986	3.8
127.03917	8.3
129.01826	1.1
129.05490	6.3
131.04950	2.1
133.06491	1.1
135.04413	30.1
135.11684	2.2
137.02374	1.1
141.01828	1.8
145.04962	2.5
147.04404	28.7
147.05531	2.3
149.02351	3.9
149.05975	3.0
151.03909	1.7
153.01836	22.7
153.03023	1.8
153.05486	1.6
153.12753	4.0
159.02950	2.0
159.04353	1.2
163.03867	5.6
163.44872	1.1
165.01819	28.2
167.07092	2.4
169.07635	1.1
170.07993	1.3
171.02893	5.2
171.04341	1.7
171.13803	5.7
175.03893	3.6
177.01839	10.8
177.05486	4.9
179.03413	4.0
181.04884	1.4
183.02882	14.1
189.05504	3.0
191.03387	17.9
192.03691	1.1
193.01491	1.1
193.04979	2.2
195.02884	100.0
196.03246	2.7
197.00743	1.3
198.07562	1.1
203.03403	16.6
207.03018	3.0
213.03912	2.1
217.04961	10.2
219.02885	32.9
221.04520	8.1
221.06337	1.4
225.06461	1.1
226.06926	1.7
235.06059	2.1
237.03897	3.7
245.04459	46.1
246.04764	1.6
258.07697	1.6
263.05502	89.8
264.05869	4.1
268.08319	1.5
273.07581	26.3
281.06604	8.0
285.07559	10.3
286.09174	1.8
296.07288	2.3
297.07620	6.6
314.08453	2.9
315.08624	16.4
323.09174	3.7
339.08609	25.4
339.12717	1.3
340.08917	1.5
359.10681	1.8
365.10233	22.8
366.10626	1.6
383.11215	33.0
384.11554	2.1
401.12170	9.6
402.12393	1.4
419.13089	19.6
420.13193	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06821	2.8
53.03933	12.1
55.01861	14.5
55.05492	4.4
56.05019	5.2
57.03435	5.8
60.04509	3.9
61.02916	12.1
65.03937	5.7
68.99778	7.0
69.03429	42.5
70.06602	25.1
71.04982	9.5
71.52330	6.4
72.08160	26.3
73.02917	12.5
74.06059	10.2
79.05483	9.2
81.03421	47.1
81.04516	3.1
81.07023	6.3
82.06580	4.0
83.01348	3.6
83.04945	4.3
83.06097	3.3
84.04492	7.9
84.08122	14.9
85.02902	100.0
86.03236	3.5
86.09712	17.8
87.00826	42.7
87.10011	3.3
91.05465	3.3
95.04953	7.2
95.06125	3.1
97.02890	37.9
98.97557	4.9
99.04427	15.4
100.45737	3.2
101.07136	3.7
102.05553	4.8
105.01855	27.0
105.03462	5.0
107.04958	26.0
109.02881	45.2
110.07182	4.9
111.04440	23.7
112.07598	3.5
112.08723	3.4
117.01860	5.7
121.02793	4.2
123.04449	4.3
124.03934	5.0
125.05973	5.1
127.03912	65.3
129.01868	8.2
129.10187	3.3
129.94716	3.5
135.04410	11.9
137.05975	5.2
137.64886	3.7
139.03917	38.5
143.95013	3.6
145.04953	30.3
147.02817	4.4
147.04402	7.0
149.02374	9.7
153.05519	7.0
159.02869	20.7
163.03888	29.9
171.06511	48.1
177.05402	5.7
181.04985	18.6
189.03964	7.2
195.06523	42.1
205.04889	3.4
207.06538	9.7
209.08098	3.6
213.04018	3.1
213.07625	23.1
231.04996	9.4
233.08044	8.9
237.07582	13.2
261.07535	18.1
273.12213	3.7
279.08636	19.9
295.29239	3.3
297.02713	3.7
405.11868	3.2
419.15305	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	419.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	16.2
55.01868	18.8
57.03427	10.1
60.04536	3.3
61.02919	11.6
65.03922	5.4
68.99780	11.9
69.03431	37.7
70.06573	11.2
70.91341	4.5
70.91665	3.5
71.04981	4.8
72.08137	8.1
72.62270	2.8
73.02911	15.0
79.05488	7.3
81.03422	44.0
82.03765	3.5
83.01316	4.7
83.04970	3.5
84.04513	4.8
84.08118	3.7
85.02908	100.0
86.09695	11.0
87.00833	36.4
89.06009	10.6
89.06491	3.0
90.06347	4.5
91.03955	2.8
91.05472	3.1
97.02899	39.9
99.04472	15.2
103.03921	5.6
105.01868	28.3
107.04962	23.1
109.02882	40.2
111.04451	21.6
117.01833	7.5
121.02864	4.7
125.05999	3.3
127.03921	68.9
129.01813	11.3
133.08664	6.8
135.04404	12.1
139.03911	52.2
145.04970	29.3
147.02878	8.6
147.04359	3.4
149.02344	6.0
149.05975	5.7
153.05467	3.6
159.02895	28.9
163.03900	31.4
171.06540	55.9
177.05473	5.9
181.04945	12.5
183.79077	2.8
189.03882	3.8
195.02838	3.0
195.06497	33.6
205.04874	4.2
207.06511	7.2
213.07541	23.8
222.05199	6.0
231.04929	7.1
233.08083	5.5
237.07610	17.2
239.14857	9.7
240.15233	12.7
261.07663	13.6
279.08612	22.4
285.11673	2.7
299.62766	3.2
419.15762	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	418.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01874	0.8
55.05502	0.5
56.05033	0.5
57.03429	0.7
60.04525	0.6
61.02920	1.5
64.85001	0.4
69.03440	3.0
69.63303	2.5
70.06593	2.7
71.05008	0.7
72.08156	2.0
73.02911	0.6
73.06513	0.7
74.06087	0.7
79.05491	0.9
81.03416	2.0
81.07053	1.2
82.06613	0.5
84.04512	1.2
84.08157	2.6
85.02909	9.3
86.09725	2.8
87.04469	1.6
89.06035	70.1
90.06374	0.6
91.05463	0.6
95.04964	0.7
95.80205	0.5
97.02914	3.4
98.09660	0.6
98.97577	0.6
99.04508	0.7
105.03375	0.7
106.02924	1.3
107.04954	0.8
107.07062	2.0
109.02876	2.2
110.07158	0.5
116.07122	0.7
119.08527	0.4
120.08082	0.8
121.02886	2.1
122.06010	0.5
124.03991	2.8
124.07594	0.9
125.05965	0.5
127.03929	2.4
129.10286	1.2
130.08647	1.0
133.08607	35.3
136.07582	0.7
139.03920	0.6
145.02910	0.8
145.04955	1.2
151.09708	3.0
152.07137	0.8
164.14458	0.5
170.08186	0.5
171.06572	0.8
177.05521	0.8
177.11230	5.8
193.04959	1.0
195.12338	1.7
238.14355	0.6
239.14896	100.0
240.15176	2.0
250.07072	0.6
256.08075	0.7
256.11969	0.8
256.15323	1.1
268.08133	1.3
349.98981	0.5
417.85107	0.5
418.16495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	1.4
53.03947	8.7
55.01860	10.1
55.05497	2.3
57.03440	6.9
59.44876	1.4
61.02908	5.5
65.03922	2.6
67.05478	4.1
68.99760	1.9
69.03101	2.0
69.03434	35.8
69.07043	3.8
69.89341	6.0
70.06586	2.5
71.04984	4.4
72.08137	1.7
73.02903	6.6
77.03908	2.3
78.04694	2.8
79.05052	2.3
79.05489	18.7
80.05801	2.2
81.03417	28.5
81.07043	6.1
82.46854	1.4
85.02906	100.0
87.00833	32.8
91.03931	1.7
91.05474	19.5
93.07042	96.4
94.07378	3.2
95.04962	7.9
95.08589	4.0
97.02895	30.7
99.04471	13.5
103.03923	2.0
103.05463	3.2
105.01863	50.6
105.04514	1.7
105.07040	9.4
106.30336	1.6
107.04948	4.3
107.08594	29.7
108.04482	2.1
109.02881	29.4
109.06503	3.3
109.10152	4.3
117.06988	4.6
118.07274	1.4
119.05035	1.5
119.08566	4.5
123.04415	7.4
123.11669	2.7
124.05221	2.0
126.05516	2.3
127.03914	73.1
128.04234	1.8
129.01802	3.8
129.06999	1.9
131.04884	2.1
131.08591	2.5
133.02824	5.5
133.06516	3.0
133.10107	3.4
134.03183	1.6
135.04326	2.4
135.08025	1.4
135.11687	31.9
143.08499	1.6
145.04964	33.4
145.06355	4.2
145.10114	2.4
146.06831	2.4
147.02881	3.7
147.04395	2.8
147.11691	1.7
151.03868	4.0
151.42000	1.7
157.06543	1.6
157.10023	2.2
159.02919	15.9
161.05992	3.3
163.07513	1.5
164.07878	1.5
167.07045	49.2
168.07370	31.7
169.07697	1.5
171.06453	2.2
171.11743	1.6
173.05974	8.2
174.06322	5.4
177.05453	2.8
181.04961	19.9
182.05328	14.4
183.07916	2.0
189.03944	3.9
191.07019	4.2
192.07414	1.9
195.02985	2.0
203.39290	1.5
205.08725	1.8
209.07977	1.5
213.03885	3.2
218.98305	1.5
219.10033	1.8
231.05017	18.6
233.07965	2.6
234.08453	2.3
235.09613	1.9
249.05992	4.1
255.13841	2.6
256.14117	7.4
274.15112	1.8
382.13654	1.5
388.14789	11.2
400.13983	3.0
400.18619	3.0
418.15640	24.5
432.18369	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.7
53.03939	5.5
55.01869	5.3
55.05515	15.7
57.03434	4.7
57.07081	3.1
60.04535	2.1
60.39131	1.9
61.02908	1.9
65.03922	2.4
67.05505	12.0
67.05790	2.0
67.16593	1.7
67.78835	1.9
68.05009	3.0
69.03429	22.5
69.07066	16.0
70.06595	23.2
70.34734	5.2
71.04987	5.0
72.08162	12.0
79.05491	21.3
80.05022	3.4
80.12448	1.7
81.03402	9.9
81.07063	35.4
82.06570	13.6
83.01300	2.1
83.04984	5.9
83.08625	3.9
84.04482	6.8
84.08146	85.9
85.02912	19.0
85.08458	2.0
86.09711	13.9
91.05481	24.3
93.06485	2.9
93.07042	36.8
94.06553	8.5
95.04955	9.9
95.06088	4.5
95.08587	15.6
96.04530	2.4
96.08137	10.6
97.02877	7.6
97.06523	9.2
97.10152	2.4
98.20849	2.5
99.04449	3.2
102.05605	1.8
105.03378	4.5
105.07037	27.9
106.06538	3.0
107.04960	4.6
107.07359	3.6
107.08601	16.2
108.08123	18.3
109.02915	5.1
109.06533	4.8
109.10135	2.9
110.06033	5.8
110.07178	3.8
110.09692	4.2
111.08092	6.0
112.07644	3.0
112.08731	5.1
116.07063	2.9
117.06979	2.1
118.06546	3.1
119.04939	2.9
119.08565	13.9
120.08117	7.9
121.02872	5.1
121.06504	8.5
121.08829	2.2
121.10164	11.7
122.06021	5.1
122.09667	17.2
123.08055	5.1
123.11699	19.7
124.03936	3.4
124.07618	6.3
125.06027	2.7
125.09595	2.3
126.09121	2.1
127.03905	7.0
128.07077	18.5
129.07036	2.8
129.10243	4.7
131.08603	5.4
132.08047	5.0
133.10136	39.7
134.09644	3.6
135.04372	2.1
135.11641	3.8
136.07570	32.0
136.11200	5.2
138.05513	6.7
138.09137	4.1
139.07434	1.8
142.07787	4.4
144.10187	4.9
145.02875	1.9
145.04933	2.3
146.05975	2.4
147.11668	8.8
148.07564	5.6
148.11192	9.1
149.13225	3.4
150.09149	2.3
150.12787	4.8
151.11172	8.9
152.07080	2.2
152.10735	3.8
154.08565	2.9
157.10112	5.4
159.10393	2.8
159.11626	3.2
160.07597	4.6
161.09605	6.5
162.12756	14.4
163.13557	2.8
164.07112	2.5
164.10812	1.9
164.14351	51.0
167.06993	2.1
170.05862	2.0
174.12794	26.8
175.07520	2.8
175.11191	2.5
176.10660	2.4
176.14357	3.5
177.05542	2.7
179.56604	2.0
184.06056	3.9
192.13838	53.1
194.10020	1.9
194.11797	7.2
194.15392	4.0
196.13354	6.8
202.12271	17.8
220.13371	7.1
221.08122	2.4
238.12248	3.5
238.14410	25.4
240.63029	2.0
256.15460	100.0
257.15652	2.4
264.08667	2.0
310.08844	1.9
331.91043	2.1
389.99124	1.8
400.18900	2.6
418.20758	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	418.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
55.05502	0.6
56.05029	0.3
57.03449	0.4
57.03721	0.3
60.04521	0.5
67.04241	0.4
67.05508	0.6
69.03434	1.8
69.07063	5.0
69.40521	2.1
70.06592	3.2
71.05010	0.4
72.08164	1.3
74.06075	0.3
76.07993	0.2
79.05531	0.3
80.04994	0.3
81.03415	1.2
81.07069	0.7
82.06581	16.5
83.05000	0.3
83.06908	0.3
84.04499	0.9
84.08138	1.5
85.02904	2.5
86.09702	2.3
87.04470	0.3
87.10035	0.3
91.05496	0.6
95.04981	0.7
95.08568	0.3
97.02879	0.6
97.06528	0.4
98.09718	0.3
98.97549	0.4
99.04450	0.3
100.07622	5.1
105.03394	3.7
107.08608	0.3
109.02837	0.3
110.06030	0.4
110.07159	0.3
112.07665	0.3
114.05514	0.5
116.07096	0.6
119.04953	0.3
120.08096	0.5
123.04429	1.1
124.07576	0.5
127.03901	1.2
128.07077	100.0
129.07420	2.0
129.10208	0.8
142.08646	2.2
145.04851	0.3
145.06538	0.6
152.03360	0.3
152.07025	0.6
167.07039	0.3
170.04497	1.0
170.11702	0.6
186.07603	0.3
188.09171	3.3
230.10219	0.5
249.07562	0.5
254.17482	0.6
256.19177	0.3
267.08664	0.8
286.12750	0.4
296.07709	0.6
296.11191	0.7
304.13889	0.8
305.62991	0.3
314.12408	1.1
317.06079	0.5
326.06717	0.6
328.21167	0.6
332.13388	6.3
340.09128	0.3
350.14456	22.7
351.14838	1.0
356.20868	0.3
361.02429	0.4
382.22293	0.5
400.23447	0.6
418.20465	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	418.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.05510	7.0
56.05030	1.2
57.03442	0.6
61.02912	0.6
62.14399	0.6
67.05497	1.9
69.03435	3.4
69.07066	13.1
70.06595	12.3
71.04996	0.7
72.08141	2.4
79.05489	1.3
81.03423	4.3
81.07052	1.8
82.06580	35.1
83.04977	0.8
83.06895	0.9
83.08623	0.6
84.04527	0.9
84.08161	3.5
85.02904	4.2
86.09707	6.8
87.10027	1.6
91.05466	1.1
93.06996	1.1
94.06577	1.1
95.04969	1.4
95.08589	0.8
96.08135	2.3
97.02886	3.1
97.06486	0.8
99.04451	1.7
100.07610	2.2
105.03391	0.7
105.07029	0.6
107.04952	0.8
107.08567	0.7
109.02893	4.1
109.10173	1.0
111.04455	0.9
111.08051	0.5
112.07588	0.8
116.07088	2.0
119.08569	0.6
120.04523	0.8
120.08129	1.1
121.02874	1.2
121.06528	0.7
122.06017	1.4
123.04397	0.7
124.07592	9.5
125.09591	0.6
126.09130	0.6
127.03907	4.8
128.07079	100.0
129.07419	1.8
129.10170	0.7
130.04889	0.5
130.08598	0.5
130.49002	0.5
134.06052	0.9
135.04469	0.7
135.11702	0.5
136.07501	0.5
138.09102	0.6
140.07027	1.0
142.08626	7.1
143.11803	0.6
145.04973	1.4
146.11841	0.5
147.04382	0.6
152.07066	9.0
153.12909	0.5
159.07965	0.5
167.07028	0.8
168.06538	2.6
170.08168	2.4
170.11690	0.8
186.07634	2.0
187.06023	3.0
188.09174	11.4
205.07043	2.6
215.01477	0.5
231.14854	1.0
241.13278	1.2
243.08867	1.6
254.17628	1.7
256.15610	0.7
259.14407	1.9
268.11740	1.5
269.12997	0.7
274.12872	0.7
286.12848	1.1
287.13873	4.7
296.11267	3.4
304.13754	0.5
314.12384	6.0
328.21179	1.5
332.13382	15.7
350.14462	25.6
351.14676	1.4
356.20648	0.7
375.16251	1.7
378.15421	1.1
382.22235	1.6
389.09979	0.5
400.23315	1.8
418.14560	1.3
418.20230	7.3
419.15491	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.4
53.03943	1.8
56.96560	1.5
57.03426	1.3
61.02906	0.7
61.66095	0.4
65.03921	1.8
67.05506	4.1
69.03079	0.7
69.03421	7.8
69.61201	3.2
70.06580	1.3
71.04991	0.8
72.08157	1.0
73.02901	1.0
79.05496	3.7
80.04995	0.9
81.03414	7.1
81.05795	0.7
81.07053	1.3
82.06578	0.6
84.08145	2.1
85.02415	0.4
85.02899	7.8
86.09696	1.4
87.00842	1.9
91.05490	0.6
92.05011	2.6
93.05772	1.2
95.04953	1.1
96.04493	0.5
96.08128	3.3
97.02898	3.6
98.97578	2.1
99.04462	2.4
103.03938	0.7
105.01853	1.0
105.03379	0.9
106.06549	29.4
107.04936	0.7
108.08113	100.0
109.02876	5.0
109.08473	2.3
116.98570	0.9
122.05972	0.6
123.06804	7.9
123.85613	0.5
124.07590	28.5
127.03905	4.9
129.10243	1.4
132.75060	0.5
134.06012	17.2
135.06339	0.5
136.07570	17.7
137.08366	0.7
145.04956	1.1
147.04451	0.6
148.07578	1.0
150.05562	0.7
152.07059	83.6
153.07431	2.0
154.08670	0.8
159.02817	0.4
160.08932	0.4
164.07068	0.9
170.08125	24.7
171.08455	0.6
176.06940	0.7
187.06000	1.2
191.48985	0.5
194.08121	1.5
219.01811	0.6
237.02795	1.0
256.05017	0.5
314.12347	2.1
319.07074	0.5
332.13409	5.7
338.12299	2.5
356.13364	9.4
374.14435	16.2
382.11096	1.0
400.12372	14.4
401.12683	1.1
418.13403	45.9
419.13751	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	418.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
53.16273	1.2
55.01863	2.5
55.05499	2.1
56.05014	2.1
56.96565	1.7
57.03424	4.6
57.98803	1.0
60.04526	1.1
60.34993	0.9
61.02917	4.7
61.59214	1.1
67.05476	1.2
69.03078	1.9
69.03424	16.0
70.06590	12.0
71.01360	2.9
71.04998	2.5
71.06937	1.7
71.52198	1.2
71.52537	1.3
72.08147	10.9
73.02917	3.1
73.08465	1.1
74.06085	6.1
75.05602	1.7
81.03428	7.9
82.00590	1.6
83.06082	1.5
84.04507	6.2
84.08137	10.2
85.02906	33.6
86.09702	20.1
87.04456	1.2
87.05589	1.6
88.03964	1.7
91.03933	1.5
92.04989	2.1
93.03378	1.5
95.04939	1.6
97.02892	14.6
98.97565	2.5
99.04407	2.6
101.07127	1.7
103.05477	2.1
106.06535	2.3
107.01289	1.4
107.04932	1.6
108.02094	3.2
108.04476	2.1
108.08112	6.5
109.02888	5.3
110.06026	2.2
110.07159	6.9
112.08730	2.0
113.07122	1.2
114.05518	1.2
116.98641	1.1
118.02907	2.3
119.03701	1.3
120.04468	3.2
120.08106	23.0
122.02383	4.5
124.03922	3.3
124.07582	3.7
127.03922	8.3
129.06647	1.1
129.10223	6.2
130.04982	3.6
131.03651	1.2
133.06090	2.9
134.02351	2.0
134.05984	1.4
136.03929	6.2
136.07536	2.7
137.02356	1.6
143.11810	2.3
145.04939	4.4
146.02380	3.1
147.04376	2.0
147.07657	3.8
148.03915	8.3
152.07068	7.2
152.24710	1.1
154.04985	14.2
154.06088	2.0
162.01886	7.4
164.03424	16.0
165.04234	19.0
166.08603	10.7
170.04396	2.4
170.08148	2.1
171.11313	1.2
173.09286	2.2
174.01874	4.8
176.03403	8.5
177.04213	37.5
177.05721	2.1
180.02931	2.2
182.04550	3.4
185.12758	1.4
192.02907	23.8
193.03703	18.0
194.04482	15.9
204.02933	13.8
205.03694	98.4
206.04224	4.1
207.01613	1.8
208.02359	1.3
209.03224	3.7
210.03963	27.7
220.02402	10.3
221.03186	100.0
222.03964	17.1
223.04259	1.3
224.00142	1.5
234.10938	1.7
237.02806	1.1
238.03479	21.3
238.10715	1.8
239.04207	7.7
248.12442	3.1
249.06401	3.6
256.04514	78.1
256.15280	1.2
257.04803	1.2
268.16562	1.6
280.05048	1.6
280.08026	2.0
318.41748	1.4
374.13882	1.1
418.13248	2.8
418.25244	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	417.3362
Annotation	Griffinisterone H
Peak:m/z	Relative Intensity
55.01853	1.2
55.05506	6.0
57.07067	2.4
67.05495	8.4
69.03417	2.7
69.07072	7.9
69.27870	7.8
71.04991	10.1
79.05486	6.3
81.07055	17.3
83.04969	2.7
83.08609	3.0
84.73395	0.9
85.06544	43.3
86.06852	1.1
91.05486	6.4
93.07039	17.5
93.72023	0.7
95.08607	22.5
96.08925	0.8
97.06525	7.2
97.10152	1.2
99.08060	1.6
105.07023	14.4
106.07398	0.8
107.08591	23.0
109.06511	1.4
109.10158	16.2
111.07368	1.4
111.08078	16.2
113.00023	1.1
117.06999	2.7
119.07702	1.1
119.08577	23.3
121.10143	17.9
123.08048	2.5
123.11687	7.0
125.09624	6.0
129.07072	1.3
131.08562	5.2
133.10129	20.1
135.08026	2.7
135.11679	12.0
137.09630	2.3
137.13245	3.6
139.11134	1.7
141.22472	0.9
143.08554	2.6
145.10123	9.9
147.11682	13.0
149.09630	2.6
149.13280	5.5
151.11195	1.2
153.12762	1.8
155.08589	1.4
157.10123	3.7
159.11694	9.0
161.13258	12.9
163.11226	5.2
163.14853	5.5
165.12723	2.0
169.10110	1.7
171.11690	4.4
173.13281	4.5
175.11176	1.2
175.14821	9.5
177.12753	4.4
177.16377	1.9
179.14313	6.3
181.10094	1.0
181.15840	1.1
183.11691	2.5
185.13269	3.4
187.14806	4.6
189.12680	1.3
189.16409	4.0
191.14249	1.3
193.15842	3.1
195.11620	1.4
197.13225	2.6
199.14813	2.7
201.16394	6.2
203.14481	1.3
203.17955	2.4
205.15878	10.3
206.16269	1.2
207.17461	2.4
209.13235	1.0
211.14821	1.9
213.16396	2.3
215.14229	1.9
215.17891	1.7
217.15784	1.1
217.19617	1.2
219.17497	4.3
225.16348	1.3
227.17912	1.8
231.17436	6.9
233.18860	0.9
234.14059	0.9
237.16324	0.9
239.17946	1.1
245.19066	4.6
249.16493	0.8
257.18964	2.2
259.20593	1.4
277.19556	1.0
281.19019	1.3
291.21112	1.0
306.27899	2.3
319.24399	1.4
363.30542	1.0
372.35629	1.0
381.31470	7.7
382.32022	0.9
399.32593	100.0
400.32919	8.2
417.33728	25.0
418.33871	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	417.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	7.2
55.05511	73.0
57.07072	11.0
67.05508	38.1
69.07063	27.6
70.02588	33.4
71.04995	8.8
79.05492	31.5
81.07054	43.8
83.04982	67.2
83.08611	10.8
85.06533	20.3
91.05484	27.5
93.07046	45.6
95.08597	55.6
97.06537	13.2
97.10162	11.0
100.16451	6.7
105.07011	53.2
107.08581	53.2
109.10163	53.5
111.04436	19.2
111.08089	16.5
117.07005	13.5
119.08586	100.0
121.10142	34.8
123.08041	15.7
123.11703	19.0
129.06979	8.9
131.04922	10.9
131.08572	20.2
133.10143	65.2
135.08083	10.7
135.11696	28.4
137.09625	27.7
137.13246	7.8
139.11218	9.6
141.06938	6.6
143.08493	14.6
145.10126	43.7
147.04440	15.3
147.11685	51.2
151.11194	15.2
155.08572	8.2
157.10130	27.5
159.04443	8.6
159.11685	46.7
161.13251	11.3
163.11310	8.8
163.14813	12.5
165.07153	6.0
169.10063	12.4
171.11691	22.7
173.13269	14.0
175.03934	73.5
175.14848	12.1
177.05463	16.1
183.11703	21.0
185.13249	18.6
187.03891	11.5
187.14763	12.9
189.05498	24.2
189.16498	17.3
197.13315	18.3
199.03937	11.1
199.14867	18.2
201.05467	9.2
201.16408	10.5
203.03418	8.4
203.10765	10.2
211.14821	8.5
213.16431	7.6
215.07014	13.8
225.12811	7.7
229.08571	12.3
231.10208	35.5
237.16296	9.7
239.18001	9.9
241.08543	11.7
243.10156	7.9
259.09720	71.3
271.20578	10.5
275.20026	11.0
281.19086	10.9
299.20013	49.5
317.21130	93.2
381.31400	7.1
399.32556	48.2
417.26584	8.5
417.31107	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
55.05511	51.5
57.03430	5.0
57.07063	9.2
67.05503	42.8
69.03434	5.2
69.07064	17.8
69.52544	30.5
79.05489	24.4
81.07060	48.8
83.04984	59.7
83.08650	7.7
85.06554	12.7
91.05466	26.8
93.07037	45.3
95.04987	5.8
95.08606	50.9
97.06528	18.9
97.10198	6.9
101.06002	8.1
104.06320	4.8
105.07030	49.5
107.08602	54.1
109.06563	10.8
109.10155	67.8
111.04419	26.0
111.08098	11.9
117.07024	9.5
119.08578	96.7
121.06499	14.2
121.10136	29.9
123.08076	14.3
123.11719	13.9
125.06081	5.5
129.06985	6.8
131.08572	18.5
132.17950	4.2
133.06482	5.6
133.10124	50.1
133.99796	4.5
135.08047	19.2
135.11670	20.0
137.09616	27.7
139.07530	6.1
143.08560	11.0
145.10107	31.9
147.08052	7.5
147.11697	50.5
149.09625	6.7
151.07494	6.7
151.11198	13.1
151.53514	4.1
155.08517	6.1
157.10143	18.9
159.08005	4.1
159.11658	26.6
161.09665	7.6
161.13239	17.4
163.11206	10.9
163.14822	14.7
167.10785	4.8
169.10115	17.8
170.10905	4.7
171.11705	16.0
173.09671	5.8
173.13257	15.6
175.11241	4.0
175.14867	7.4
179.10725	7.3
181.12265	7.4
183.11714	14.2
185.13251	13.0
187.11243	7.7
187.14819	19.7
189.12750	5.9
189.16379	6.7
193.12312	6.2
195.11674	6.8
197.13298	14.7
199.11269	5.8
199.14879	13.8
201.12842	7.6
201.16394	8.8
203.14293	4.5
205.12315	8.6
205.15816	6.3
211.14761	8.7
213.16322	6.6
215.10709	5.9
215.14346	4.2
217.12292	5.8
219.13782	5.6
225.12717	7.7
229.12198	8.5
230.59436	4.8
237.16397	5.3
239.14362	6.3
239.17969	10.2
243.13751	11.2
253.19556	12.5
257.18951	10.9
271.20596	9.4
273.18335	5.7
275.20081	18.5
281.18887	13.1
289.21762	6.9
293.38654	4.6
299.20062	77.6
317.21155	100.0
417.26459	9.2
417.31216	6.8
417.35886	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	417.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31857	2.9
55.05515	7.9
56.96574	2.4
66.44002	2.4
67.05502	9.8
69.07064	5.8
70.13452	8.8
70.13873	5.2
79.05482	6.0
81.03421	3.4
81.07071	8.6
83.04972	9.1
85.06524	3.0
91.05495	7.7
92.05016	7.5
93.07034	9.9
94.06565	8.0
95.04977	6.4
95.08607	8.0
103.05463	3.7
105.03400	13.4
105.07041	10.0
106.06552	6.0
107.08603	6.6
109.10185	11.7
117.05744	3.5
117.07015	5.7
119.08561	9.3
120.04466	61.0
121.10152	6.5
123.04503	3.8
129.07014	3.8
130.06531	30.4
131.08582	5.6
132.04462	19.7
133.10129	6.7
134.09653	6.0
135.11691	4.6
142.07771	2.9
143.07339	6.7
144.08081	15.3
145.06487	3.3
145.10120	12.3
146.06003	28.6
146.09644	5.0
147.11678	3.3
148.05165	3.3
154.06451	3.1
156.08076	2.9
157.08870	9.8
157.10091	4.0
158.06013	53.4
158.09644	10.8
159.11694	3.5
167.07068	38.6
170.06001	3.9
170.09644	6.8
172.07578	9.2
172.11234	23.3
173.06003	3.2
174.09152	47.1
180.08061	5.8
181.05023	14.1
181.08769	4.5
182.09627	20.4
183.06812	3.9
183.10257	3.6
184.07556	24.4
184.11230	7.8
186.09126	7.3
187.09805	3.1
191.07018	3.4
194.09662	11.2
196.07579	3.0
196.11197	4.3
198.09201	13.2
200.10713	100.0
201.11076	7.6
208.11246	8.7
210.09174	12.3
211.09961	8.7
212.10657	14.7
213.12579	3.0
214.12357	3.2
218.09570	5.0
222.09241	4.9
222.12718	5.2
224.10719	9.4
224.14204	3.2
226.06349	3.1
226.12283	45.4
229.14395	8.9
231.10263	3.0
233.11937	3.3
234.12755	3.3
236.14365	4.7
238.12242	5.4
240.13850	3.9
244.98825	2.8
248.10808	2.9
248.14442	8.6
250.12288	4.1
254.15431	6.1
255.05424	4.0
255.13593	4.0
256.05640	5.3
260.14294	4.8
264.13663	3.2
266.15421	21.1
268.17062	3.8
273.05856	4.8
273.10443	5.4
278.15549	3.5
289.08994	9.8
300.09122	5.5
306.14896	7.3
311.12192	3.4
313.13641	3.3
323.15262	3.2
325.13226	14.0
327.14609	4.8
328.15543	4.3
329.16281	3.4
337.13364	4.8
343.14413	17.2
351.14920	6.3
365.16718	5.6
366.17401	3.9
381.19647	41.3
387.14511	4.8
399.20639	95.0
400.20932	8.0
417.15927	12.5
417.26288	4.9
417.31079	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05515	10.8
65.03905	0.7
67.05501	1.7
69.07069	15.9
70.56629	1.6
70.56985	1.5
77.03910	0.7
81.07043	1.1
83.05000	3.7
85.10164	0.7
91.05469	1.4
92.05032	1.2
93.07077	1.3
94.06578	1.2
95.08607	0.9
97.06551	1.5
97.10161	1.7
105.03381	0.9
106.06573	1.2
107.08560	1.3
117.05724	1.9
118.06516	1.8
119.08637	1.4
120.04484	9.3
127.67961	0.6
130.06531	13.7
131.07343	0.9
132.04465	8.3
134.05920	0.8
142.42284	0.8
143.07301	2.7
143.08472	0.9
144.08110	4.5
145.05211	3.9
146.06018	21.0
154.06578	1.4
157.08908	4.4
157.10010	0.9
158.06026	31.1
158.09613	2.8
159.06683	1.0
162.05508	33.5
167.07254	7.7
168.08118	11.0
169.08754	1.8
170.09636	4.1
172.07607	3.3
172.11212	7.3
174.05542	9.0
174.09090	1.2
174.12756	1.6
180.08083	5.2
181.08875	8.2
182.09669	29.5
183.06798	2.5
183.10416	14.6
184.07578	3.3
184.11238	11.7
185.08350	2.1
185.98323	0.7
186.09073	1.1
188.07124	0.9
194.09648	7.0
195.10355	1.9
196.07523	1.7
196.11232	10.9
197.08408	1.7
198.09145	11.6
199.09869	2.3
200.10710	100.0
201.11032	3.7
202.12303	2.6
208.11208	4.0
209.11983	3.5
210.09116	1.2
210.12781	3.2
212.10716	5.8
214.04283	0.7
214.12184	1.5
216.10197	24.5
217.10641	1.1
222.12840	2.4
224.10732	0.8
226.12364	1.7
236.14290	9.3
237.15118	1.3
250.08678	1.0
250.15887	1.1
251.16679	17.2
252.17476	79.5
253.17802	4.8
266.15399	1.9
268.17001	9.0
270.18472	1.6
331.14365	1.3
381.19681	2.1
399.20892	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	417.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.7
53.03941	2.9
55.01863	1.4
55.05501	1.7
57.03414	1.4
57.07077	0.5
61.04622	0.5
65.03921	1.2
67.05507	4.2
68.60519	0.5
69.03428	7.7
69.07063	3.2
70.09824	2.6
71.04971	1.7
73.02914	1.0
77.03917	5.1
79.05491	6.6
81.03419	16.4
81.07050	8.3
83.08605	1.1
85.02901	6.9
91.05482	5.0
93.07031	3.0
95.04970	3.6
95.08610	5.8
97.02873	3.2
97.06512	1.5
99.04436	2.2
100.11227	0.7
103.05486	2.5
105.03387	2.7
105.07031	4.0
106.04189	0.7
107.04953	5.1
107.08607	3.0
109.02869	6.0
109.06518	1.2
109.10159	7.1
115.05463	2.6
117.07010	3.9
119.08560	2.2
121.06474	2.6
121.10128	5.5
123.04442	3.8
123.08032	1.2
123.11706	5.1
123.13525	0.5
124.05198	1.1
125.06011	0.8
127.03886	2.2
128.06190	1.7
129.06958	1.1
131.04897	1.4
131.08554	2.1
133.02852	32.3
133.06500	4.5
133.10126	1.9
134.03542	1.0
135.03409	1.0
135.04416	16.7
135.11742	0.9
137.06004	0.7
141.06952	0.9
143.04904	0.6
143.08563	1.9
144.05646	1.5
145.06482	6.8
145.10135	1.2
146.07208	1.2
147.04416	5.6
147.08051	3.7
148.05132	0.5
149.05963	2.8
151.03900	36.1
152.04546	1.0
155.06041	1.3
157.06476	5.2
157.10114	1.2
158.07152	0.7
159.04431	1.1
159.08080	4.7
161.05969	2.9
161.09593	2.1
163.07512	1.3
165.05467	1.8
165.06943	0.9
167.07043	35.1
169.06488	0.7
171.06668	0.7
171.08044	14.5
172.08817	0.9
173.05983	6.5
173.09602	2.5
175.03885	0.6
175.07555	2.8
176.04747	0.7
177.05484	0.7
181.04959	12.0
181.06476	1.0
181.10109	1.0
183.08040	1.4
184.08803	0.8
185.05983	1.2
185.09621	5.3
187.07523	2.5
189.05458	1.5
189.09119	0.9
191.07056	3.4
193.08621	0.7
193.10146	0.8
194.10895	0.8
195.08115	0.8
196.08844	0.7
197.09599	1.3
199.07520	5.1
199.11177	1.4
201.09099	0.8
203.06981	0.7
205.08643	1.7
207.06552	0.6
211.07582	0.8
211.11206	2.0
212.11913	1.5
213.09180	4.4
213.12697	6.9
215.10632	1.0
217.08664	1.5
225.12782	0.6
227.14240	4.8
233.08078	2.5
235.09634	1.5
237.12854	2.4
237.14966	0.5
239.14247	0.5
241.12253	1.4
253.12254	1.7
255.13803	100.0
256.13986	2.6
257.11755	0.8
259.13275	0.6
267.13821	0.6
273.14838	11.6
277.07047	1.9
279.13724	0.7
283.10733	3.0
283.13367	0.8
295.08109	2.0
295.13184	0.7
297.14890	1.6
301.11823	2.2
313.14026	0.5
319.13071	3.0
329.30502	0.6
357.17001	1.1
363.16058	1.0
381.17114	0.9
387.14368	5.1
399.18076	25.6
417.15192	7.5
417.20187	9.9
418.16052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1906
Annotation	10-Hydroxymelleolide
Peak:m/z	Relative Intensity
51.02369	1.8
53.03936	3.9
55.01873	3.0
55.05501	2.1
56.73436	1.1
57.03423	2.4
63.48759	1.1
64.30318	1.3
65.03928	1.9
67.05489	7.9
68.61339	1.1
69.03430	12.1
69.07069	6.0
70.28980	4.0
71.04997	2.2
71.05844	1.1
77.03918	7.7
78.04705	1.2
79.05482	7.8
81.03419	35.8
81.07063	20.4
85.02904	11.9
91.05473	9.0
91.10500	1.1
93.07048	5.7
95.04961	6.7
95.08602	7.7
97.02881	7.4
97.06530	1.7
99.04445	4.8
103.05460	3.9
105.03381	4.9
105.07006	7.5
107.04951	9.4
107.08576	4.4
109.02874	9.7
109.06509	1.7
109.10167	13.5
115.05430	3.2
115.80184	1.1
117.07019	5.7
119.04927	1.7
119.08546	2.5
121.06506	4.5
121.10124	3.8
123.04442	5.2
123.08046	1.4
123.11697	10.2
124.05153	1.5
127.03902	3.8
128.06215	3.6
129.07005	3.9
131.04907	2.2
131.08583	3.5
133.02850	53.6
133.06490	9.6
133.10130	4.3
135.04408	21.7
135.11752	1.3
137.05927	1.1
141.06969	2.3
142.07793	1.5
143.04987	1.8
143.08589	4.1
144.05736	3.1
145.06473	11.8
145.10136	2.5
147.04408	8.4
147.08038	7.3
149.05986	4.8
151.03900	63.7
155.08586	1.7
157.06459	6.0
159.04385	1.4
159.08057	7.2
161.05981	3.7
161.09627	5.2
163.07498	1.2
165.05487	1.6
165.07008	1.3
167.07040	44.7
168.07396	1.3
169.10158	1.2
171.08046	16.6
173.05966	12.1
173.09633	16.2
175.03915	2.1
175.07538	7.3
179.08659	1.5
181.04977	17.0
183.08043	2.2
184.08775	1.3
185.05850	1.1
185.09590	12.1
187.07521	9.1
189.05481	3.3
189.09073	3.6
191.07071	4.7
191.97617	1.2
193.04936	1.4
195.08076	3.6
197.09608	3.1
199.07521	13.7
201.09077	1.3
202.40199	1.3
205.08559	1.8
211.07579	1.4
211.11250	4.4
213.09128	14.9
213.12666	5.5
215.10690	6.7
217.08580	3.5
225.08911	1.9
225.12642	1.6
227.10847	1.6
227.14299	5.0
233.08119	2.8
235.09596	1.4
255.13811	100.0
256.14075	2.5
273.14886	7.9
277.07074	4.7
279.13696	1.9
295.08234	2.6
297.14838	5.2
297.74881	1.4
319.13025	1.3
363.16159	2.0
381.17001	3.3
387.14435	5.0
399.18051	36.0
417.15018	6.5
417.20047	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	417.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03950	4.8
55.01865	2.7
55.05507	1.8
57.03436	1.9
65.03934	2.7
67.05506	5.7
69.03432	10.4
69.07062	3.9
69.47341	5.3
70.06612	0.9
71.04984	3.4
73.32707	0.7
77.03917	6.1
78.04707	1.9
79.05501	7.5
81.03419	21.8
81.07056	10.8
82.04202	1.3
82.23627	0.7
83.04991	1.2
83.08643	1.0
84.08153	6.8
85.02908	8.9
91.05488	7.2
93.03375	1.1
93.07063	5.1
95.04977	5.4
95.08601	7.9
96.05756	0.8
97.02894	5.7
97.06521	2.5
98.20721	1.0
99.04453	3.3
103.05469	2.9
105.03357	4.1
105.07031	5.6
106.04203	1.8
107.04948	9.5
107.08581	4.8
109.02879	10.1
109.06533	2.3
109.10147	9.7
111.08075	1.1
115.05471	4.8
117.07024	6.8
118.04216	0.8
119.04922	1.3
119.08590	3.7
121.06516	2.2
121.10120	7.9
123.04420	6.7
123.08064	1.3
123.11697	7.4
124.05222	1.7
125.05974	1.5
127.03915	16.9
128.06273	2.1
129.07016	1.1
131.04921	3.3
131.08563	2.8
133.02850	46.4
133.06493	4.3
133.10100	2.3
134.03587	1.1
135.04408	22.5
135.08051	1.2
135.11726	1.3
137.05972	1.0
139.11227	1.0
141.07047	1.7
143.04950	1.2
143.08546	2.6
144.05682	1.8
145.04956	1.3
145.06477	11.2
145.10139	2.7
147.04404	6.9
147.08041	2.6
147.11655	0.7
148.05200	0.9
149.05978	4.5
149.09686	1.1
151.03903	39.2
151.11102	1.3
152.04680	1.4
155.06018	1.9
157.06500	5.1
157.10165	1.9
159.04384	0.9
159.08067	5.6
161.05962	4.3
161.09634	3.0
163.07558	2.5
165.05479	1.3
167.07037	63.2
168.07394	1.3
169.06525	1.3
169.10208	0.8
171.06665	1.0
171.08038	14.7
172.08684	1.1
173.05978	11.8
173.09628	3.2
173.13199	0.8
175.03870	1.5
175.07516	4.4
177.05486	1.0
177.09091	3.7
181.04948	27.7
181.06522	1.6
182.05295	1.0
183.08051	1.5
185.05981	1.6
185.09621	7.5
187.07558	4.2
189.05481	3.2
189.09145	1.6
191.06999	7.2
193.04997	1.0
195.08177	1.4
197.09647	1.4
198.10434	0.8
199.07585	3.9
199.11203	1.8
201.09105	1.7
203.10715	3.7
205.08649	3.2
207.06496	0.8
211.11198	2.1
212.11897	1.8
213.09152	5.5
213.12741	11.3
215.10675	1.2
217.08688	1.6
227.10727	0.9
227.14293	7.2
231.10168	1.0
232.41742	0.9
233.08089	5.3
235.09615	2.5
237.12852	1.4
241.12227	1.0
245.15521	1.0
253.12244	1.7
255.13792	100.0
256.14029	4.1
267.13858	0.9
273.14832	38.9
274.15109	1.9
277.07016	1.2
291.15881	8.2
295.08188	2.6
297.14496	0.9
313.14151	1.0
319.12888	2.0
327.56708	0.8
339.08905	0.9
357.17099	0.9
381.17200	1.3
381.31058	0.9
385.10168	1.0
387.14301	8.7
399.13284	1.3
399.18033	15.4
399.32129	1.3
400.18280	0.8
417.14569	14.1
417.19394	10.2
417.24802	1.4
417.26505	0.7
418.15695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
55.05508	1.5
56.05042	0.5
57.03434	0.8
57.28562	0.4
61.02924	0.5
64.23447	0.5
66.90562	0.4
67.05472	1.0
68.05029	1.8
69.03433	2.7
69.07069	1.1
69.75893	1.1
69.76302	1.8
70.06586	7.8
71.04990	0.8
72.08154	13.1
73.02903	0.5
74.06063	1.5
76.55846	0.4
79.05493	0.7
81.03417	2.5
81.07050	1.6
83.04971	1.4
83.06111	3.2
84.04498	4.4
84.08140	3.2
85.02908	5.1
86.09698	12.3
87.00822	1.0
87.10021	0.5
89.03915	4.8
91.05480	1.4
93.07042	1.0
93.23164	0.4
95.05042	1.0
95.06087	37.9
95.08563	0.8
96.06406	0.7
97.02872	2.7
97.06499	1.2
98.06008	0.6
99.04472	1.0
102.05551	1.4
105.07057	0.5
107.04948	1.0
107.08581	1.4
109.02892	1.8
109.06528	1.0
109.10146	1.5
110.07151	0.6
111.04448	0.6
111.08096	0.7
112.08722	100.0
113.09062	0.9
116.07059	1.0
117.03370	15.0
119.08616	0.5
121.02858	0.9
122.07143	8.2
124.07603	0.5
126.91418	0.4
127.03883	2.9
128.07074	1.3
129.10231	1.6
133.10115	0.5
134.03586	0.7
135.04428	1.6
145.02837	43.1
145.04976	1.4
146.03159	0.9
147.04373	0.5
148.06030	0.6
149.05975	5.4
151.03917	0.5
151.11159	3.0
154.04997	1.3
155.05342	0.5
157.13345	0.6
159.02946	0.9
163.11157	1.2
167.07097	0.8
169.05003	3.2
169.12216	1.0
171.11340	0.9
171.14935	0.6
177.05461	69.0
178.05798	1.3
178.09825	0.7
185.12813	0.7
186.05473	1.0
189.12364	1.0
199.14474	0.9
201.12314	2.7
205.10852	0.7
207.06573	0.7
215.13960	0.7
220.18910	0.5
223.11882	18.4
229.11804	1.5
229.15422	2.0
231.05017	0.5
233.11343	0.8
241.12939	12.0
255.16014	0.7
260.27084	0.4
273.28784	0.5
306.09705	6.1
373.52100	0.5
399.11920	0.5
399.16537	3.8
417.12665	0.7
417.17676	8.1
417.22995	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18373	2.5
53.03946	11.4
54.77748	2.9
55.01873	12.6
55.05500	8.3
57.03439	7.7
59.04999	3.0
60.04527	2.7
61.02917	8.8
65.03934	3.1
67.05513	14.3
68.99790	3.9
69.03427	41.4
69.07059	8.1
70.06590	34.3
71.04993	18.4
71.53074	2.6
72.08156	27.1
73.02916	11.1
79.05478	15.7
81.03419	42.8
81.07062	21.9
83.04964	8.6
84.08140	8.1
85.02906	74.1
85.06518	4.2
86.09704	100.0
87.00829	20.4
87.05600	2.9
88.03956	5.8
91.05473	15.0
93.07047	16.2
95.04966	13.3
95.08617	13.7
97.02890	28.9
97.06531	8.2
99.04467	15.0
99.08074	2.7
101.02362	2.5
101.05927	2.8
103.05405	2.6
104.05318	2.5
105.01877	16.9
105.03364	16.0
105.07026	16.2
107.04962	12.1
107.08593	34.0
109.02869	37.3
109.06488	7.1
109.10162	20.1
110.07170	2.5
111.04430	3.1
111.08060	5.1
113.06019	3.0
115.05455	4.4
116.07104	2.9
117.07014	10.6
119.04929	4.1
119.08593	7.2
121.02875	9.5
121.06515	5.0
121.10144	6.5
123.04417	16.5
123.08059	7.1
123.11725	15.9
125.02395	2.2
125.05985	4.8
125.09689	3.7
127.03911	53.7
128.06184	2.4
129.01794	5.3
129.10226	2.8
131.08572	6.4
133.02832	2.6
133.06429	3.5
133.10129	27.0
135.04422	4.0
135.08037	4.9
135.11649	4.6
136.07564	2.3
137.05986	3.2
137.09575	4.6
138.09119	3.1
141.10197	4.0
143.03413	3.0
143.08565	5.1
143.10701	3.6
145.05005	15.9
145.06461	10.8
145.10194	3.4
147.02856	3.2
147.08046	3.2
147.11647	5.7
149.05901	3.9
149.09627	3.2
151.03934	4.6
151.07529	4.1
151.11172	71.2
153.01880	3.5
153.05437	2.9
156.10287	3.1
158.06073	3.3
159.02861	18.6
159.08022	2.8
159.11371	9.6
161.06030	5.1
161.09595	3.7
163.07530	5.0
165.01845	3.6
167.07036	53.4
169.12192	11.5
169.13406	6.1
170.11740	2.6
171.08096	2.2
173.05974	13.0
175.07388	2.7
175.08739	2.9
176.10800	2.4
181.04965	24.2
183.06541	3.1
183.11452	3.7
187.10857	6.5
189.09151	2.4
189.12367	11.4
191.07014	4.6
195.11761	2.6
201.12370	32.2
203.08377	2.4
205.08572	4.5
205.26544	2.6
219.02846	3.1
229.11867	20.4
231.05009	9.5
231.17030	6.3
233.08087	8.7
255.13698	5.1
277.14581	3.0
284.06412	3.3
285.06610	8.5
302.14954	3.5
321.07535	3.6
325.09625	3.3
339.08115	5.5
363.08701	2.3
369.08795	3.2
373.12866	2.9
381.09232	3.8
387.13989	3.7
399.09906	4.7
399.25098	3.7
417.10876	5.1
417.16208	16.1
417.26065	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	417.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78423	0.4
53.03935	1.5
55.01867	2.2
55.05494	1.0
57.03425	1.5
59.04996	0.8
61.02917	1.2
62.27859	0.4
65.03908	0.8
67.01866	2.7
67.05510	2.8
68.99789	1.0
69.03080	0.7
69.03426	8.0
69.07055	1.4
69.34283	1.1
69.34684	2.9
70.06583	4.6
71.04990	3.4
72.08138	1.2
73.02898	1.7
79.05476	2.9
81.03416	8.1
81.07049	4.8
83.04955	1.7
84.04478	1.1
84.08127	1.8
85.02906	17.8
85.06533	1.5
86.09229	0.6
86.09708	8.7
87.00838	4.0
87.21487	0.4
91.05479	2.6
93.07036	3.4
95.04964	2.3
95.08595	2.1
97.02885	6.1
97.06509	1.4
98.12640	0.5
99.04451	3.4
101.06046	0.4
103.03908	0.5
105.01868	4.2
105.03377	0.9
105.07030	3.0
107.04914	1.5
107.08579	5.9
109.02880	7.2
109.06523	2.3
109.10127	3.2
111.04417	1.0
111.08085	1.4
112.08701	0.5
113.02393	0.4
113.05938	0.6
117.06976	1.3
119.08544	1.9
120.08089	1.1
121.02859	1.2
121.06472	1.3
121.10120	1.1
123.04427	5.6
123.08060	0.8
123.11696	2.8
125.05919	0.9
125.09626	1.0
127.03917	17.1
127.11178	0.6
129.01833	1.0
129.05443	0.4
129.06958	0.4
131.08498	1.3
133.02820	0.6
133.10138	3.4
135.04367	0.5
135.08026	1.0
135.11714	0.7
137.09586	0.8
139.11221	0.5
141.06981	0.5
143.10699	0.5
143.11777	0.8
145.04961	4.3
145.06490	1.7
145.10155	1.1
147.02887	0.6
147.04437	1.2
147.08054	0.8
147.11639	0.9
149.06017	0.8
149.09622	1.1
151.03900	19.2
151.11171	7.0
152.04216	0.5
157.10060	0.5
159.02910	3.7
161.09573	0.8
163.03902	0.7
163.07524	0.7
165.01840	1.3
165.07152	0.4
167.07040	8.7
169.04955	100.0
169.12178	2.3
170.05309	1.4
171.08102	0.9
171.11493	0.5
173.05983	1.5
173.09637	0.7
175.14760	0.7
177.01852	0.8
181.05023	3.3
183.02876	1.2
185.05936	0.7
185.09618	0.7
187.11160	0.9
189.03903	0.5
191.03358	1.6
191.14354	0.5
193.04890	0.8
193.10173	0.6
197.05942	0.6
201.09082	0.6
201.12350	1.1
201.16414	0.7
207.02760	0.5
211.11261	0.6
213.09012	0.7
213.12381	0.6
217.08760	0.6
219.02919	2.5
227.10591	0.6
229.12012	0.9
231.02855	0.7
231.04997	1.7
233.08090	1.8
237.18437	0.6
239.10678	1.3
245.07846	0.6
247.12869	0.6
250.09930	0.5
255.10039	2.2
255.13757	1.6
261.03955	1.3
267.10089	1.7
279.10080	0.5
281.11765	0.9
285.07471	1.8
285.11102	0.6
293.15332	0.6
297.07651	1.1
309.11264	2.0
313.10733	1.9
321.14929	1.1
325.10464	1.2
339.08600	2.0
339.15796	0.9
351.08524	0.7
381.17001	2.2
387.14355	1.4
399.18085	1.8
399.25250	1.0
417.11066	0.9
417.16528	4.1
417.26178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03175	0.3
53.03951	0.4
56.96576	0.6
59.63055	0.3
60.04524	0.4
60.05680	0.3
60.25837	0.3
62.73581	0.3
64.28863	0.3
65.03952	0.4
67.05492	1.8
69.03426	0.7
70.06587	4.1
70.68256	0.9
71.04972	0.4
72.08148	1.3
74.06080	0.4
79.05512	0.3
81.03422	0.4
84.04520	0.6
84.08140	2.1
85.02906	1.2
86.09715	1.2
88.03976	0.4
93.06996	0.3
94.06568	5.4
95.04960	0.3
97.02901	0.5
98.97588	0.8
99.04496	0.3
101.02361	0.3
103.53786	0.3
106.06540	1.8
107.04942	0.7
108.36112	0.3
108.80888	0.3
110.07167	0.6
112.08727	0.8
116.98637	0.7
117.03457	0.3
119.04939	0.4
121.02887	0.3
122.06020	4.9
124.03960	0.3
127.03907	0.6
129.10242	0.9
134.99687	0.3
145.04973	0.3
147.04404	0.7
150.05493	100.0
151.05847	1.6
152.05641	0.8
154.04932	0.5
155.08116	0.3
158.99626	0.3
168.06549	41.8
169.06833	0.7
174.07652	0.4
175.63045	0.3
175.76917	0.3
176.04602	0.4
177.05534	0.3
190.08549	0.3
194.87833	0.3
204.73199	0.3
206.05650	0.4
207.06599	0.4
219.01672	0.3
237.02777	0.6
254.10165	0.6
386.10590	0.3
416.26141	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2226
Annotation	SCHEMBL638185
Peak:m/z	Relative Intensity
55.01881	16.2
55.05503	4.1
57.07069	5.0
58.06358	1.9
58.06603	23.3
67.05506	11.6
68.98462	1.4
69.07058	8.1
70.06571	5.7
71.04993	1.5
72.08150	1.7
79.05478	4.4
79.96891	1.7
81.07046	6.1
83.08599	2.8
84.04471	1.6
84.08154	15.1
85.06541	10.0
90.77975	1.7
91.05457	3.1
93.07028	4.0
95.08619	3.5
100.07619	2.8
104.82227	1.4
105.07043	3.0
107.08585	3.4
109.10180	13.6
116.07098	4.7
119.04945	1.5
119.08569	5.7
120.04474	5.8
121.10152	5.2
126.09141	1.6
133.10121	2.6
135.04413	17.9
143.08255	2.7
145.10046	1.5
147.04399	3.2
149.05939	4.1
161.05936	2.0
161.09633	2.1
163.07394	1.8
167.03302	1.9
171.08029	3.0
173.05988	8.3
177.05489	14.2
177.09145	2.4
187.07507	2.3
189.05438	6.8
189.09079	10.3
199.07535	5.5
201.05467	3.7
201.09135	5.5
204.06693	2.0
205.08655	2.6
207.10161	4.1
213.09067	8.7
215.07040	8.4
217.08539	2.5
219.10255	3.8
227.10754	1.8
229.08661	3.1
231.10150	7.0
233.11844	7.5
241.08633	3.2
243.10194	2.7
247.09480	2.6
249.11287	7.0
255.10059	2.3
255.13814	11.6
261.11148	7.1
273.14832	10.3
289.09070	2.5
297.14877	5.0
302.13705	2.2
307.10086	2.2
314.17654	5.3
315.15854	6.3
321.75848	1.5
332.18488	11.9
349.11365	2.7
356.18567	52.3
356.22971	3.3
357.18890	4.0
373.21207	6.0
374.19592	22.5
397.44583	1.7
415.16269	4.0
415.22244	100.0
416.22458	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	416.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03932	3.0
55.01873	3.5
55.05491	1.1
57.03434	1.6
61.02918	2.1
61.78289	0.6
67.05502	1.8
68.99785	1.6
69.03426	16.7
69.07071	1.4
70.06596	7.5
70.33407	1.5
70.33797	1.6
70.78190	0.6
71.04980	2.4
71.79919	0.6
72.08144	2.2
73.02908	3.0
79.05476	2.2
80.05016	2.5
81.03419	15.8
81.07045	2.2
82.03741	0.8
84.04504	1.6
84.08140	3.1
85.02906	22.7
86.09709	2.8
87.00839	9.1
91.03975	0.8
91.05450	2.4
93.07038	1.4
95.04974	1.5
95.08617	1.2
97.02892	7.9
97.06542	1.2
99.04462	4.4
105.01870	4.7
105.03387	15.9
105.07032	1.6
106.03715	5.1
107.04960	1.9
107.08598	2.0
108.04489	3.7
109.02884	14.1
109.10095	0.8
110.07148	0.7
112.11275	1.0
115.18391	0.7
116.07115	0.8
117.01883	1.6
121.02854	1.4
121.10172	0.9
122.06068	1.3
123.04440	0.8
126.05553	0.8
127.03918	19.0
129.01823	2.0
129.10210	1.0
131.08591	1.1
134.06041	1.8
135.04457	1.1
135.11722	0.7
136.03938	100.0
137.04341	1.3
141.01845	0.7
145.04971	5.0
145.06422	1.3
145.10080	0.8
146.06003	1.0
147.02907	0.9
148.03922	1.9
148.15291	0.8
150.05511	2.3
151.03915	2.2
154.04993	2.3
159.02904	6.6
160.03926	1.8
162.09142	8.3
163.09470	6.3
165.14188	0.7
167.07024	5.4
168.06561	57.4
169.06934	0.7
173.05981	0.8
178.04968	4.0
181.04971	2.4
183.02838	0.9
191.03363	0.7
198.05473	0.7
202.04904	0.7
204.02930	3.0
210.07642	2.2
212.07881	0.8
213.03929	0.8
219.02887	2.0
222.03969	2.4
226.05029	2.7
231.04964	2.4
234.17143	0.8
244.06088	2.2
253.12131	0.8
254.08371	0.9
254.12653	2.3
258.07590	1.1
267.59763	0.6
271.06067	1.3
300.48444	0.8
330.11996	2.0
339.08636	1.0
348.07227	3.0
355.22137	4.4
366.08362	1.0
380.09882	3.1
398.10672	0.8
398.16998	0.8
398.22125	1.2
416.11810	7.5
416.17474	1.9
416.23297	6.9
417.15756	1.5
425.07205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.7
55.01866	10.1
55.05491	12.6
55.52601	3.9
57.03426	6.9
61.02924	4.4
61.37185	3.0
65.03937	5.6
67.05498	25.1
69.03429	45.2
69.07064	13.3
70.06596	23.6
71.03043	4.6
71.03375	6.3
71.04987	6.0
72.08155	5.0
73.02913	4.7
77.03925	5.8
79.05495	31.0
81.02989	4.7
81.03421	52.8
81.07061	30.1
81.58192	3.1
83.04973	11.5
83.08595	5.0
84.08140	6.2
85.02907	58.3
87.00828	14.3
91.05469	28.0
93.07055	35.6
95.04970	22.0
95.08161	3.3
95.08617	36.3
97.02904	19.3
97.06522	11.3
99.04443	13.8
103.05467	4.9
105.01872	19.3
105.07057	39.0
107.04954	30.4
107.08598	100.0
109.02879	27.5
109.06522	14.4
109.10153	41.6
111.04430	10.3
111.08071	11.9
113.02406	4.2
115.05441	8.4
117.06978	6.3
119.08574	32.3
121.06486	15.0
121.10144	42.5
123.04441	17.6
123.08076	13.0
123.11675	7.1
124.05206	6.1
125.05946	4.0
127.03909	39.4
128.06223	3.8
129.01817	3.5
129.07004	12.3
131.04976	6.9
131.08530	18.2
133.02844	31.0
133.10132	19.8
135.04431	14.7
135.08046	10.4
135.11729	10.9
137.05966	8.0
137.09628	7.1
141.06915	5.4
142.07738	6.5
143.08540	9.7
145.04974	6.2
145.06427	12.6
145.10144	18.8
147.04378	8.7
147.07979	8.1
147.11700	24.3
149.02364	3.3
149.06013	5.3
149.09575	15.1
149.13281	29.0
151.03888	23.0
153.06969	4.5
154.06506	5.0
155.08504	8.6
156.08043	4.9
157.10124	6.1
158.09650	14.1
159.02888	5.9
159.04335	4.1
159.08052	6.8
159.11693	16.6
161.06006	4.4
161.09659	4.5
161.13251	15.4
163.07590	3.6
163.14771	3.9
165.05609	4.4
165.06982	5.5
165.12794	5.6
167.03392	4.3
167.07033	30.3
167.08516	7.4
167.14293	15.7
168.08047	9.1
171.08032	5.9
171.11688	5.1
173.05956	5.7
173.09599	3.7
173.13261	9.5
175.03909	5.4
175.07518	3.8
175.11203	5.6
175.14804	4.3
177.12686	10.6
179.14310	11.0
181.04990	17.4
183.08047	4.8
183.11569	4.8
185.09648	5.1
185.13242	5.3
187.03975	7.8
189.09142	4.7
189.12773	8.3
191.14299	4.1
193.10324	4.1
193.12123	3.9
195.06531	11.8
197.09642	7.2
197.13202	8.4
199.11227	5.0
201.05440	4.0
201.09158	8.8
201.12787	6.9
207.13820	6.9
211.07599	8.7
211.11229	5.0
212.12842	6.2
213.09137	5.6
213.13017	3.8
214.08574	4.4
215.14349	4.2
217.12297	5.5
225.12758	5.7
229.08614	5.7
229.15906	4.4
233.15314	5.5
239.14203	4.3
243.13789	5.7
253.12241	55.6
257.15317	25.8
261.07794	3.5
269.11923	3.5
271.10294	4.0
271.13251	20.8
275.16440	37.7
311.18265	4.1
326.16455	3.3
329.19177	8.3
361.16357	10.1
379.17368	13.2
397.17734	13.9
415.17581	11.7
415.26764	16.3
422.63239	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	415.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15436	3.2
53.03930	8.5
55.01860	9.5
55.05506	13.0
57.03442	9.5
61.02945	6.2
65.03938	5.4
66.71605	3.0
67.05503	28.4
69.03441	29.1
69.07069	18.4
70.06594	9.8
70.77727	6.4
70.78059	6.5
71.04984	15.7
72.08163	3.6
73.02915	4.0
77.03910	5.2
79.05499	27.8
81.03414	37.4
81.07058	55.4
83.04987	13.1
83.08604	8.0
85.02904	26.8
85.06536	5.5
86.09718	3.4
87.00822	8.3
91.05470	31.4
93.07044	33.5
95.04976	16.4
95.08602	46.8
97.02888	12.1
97.06534	10.2
97.10198	5.2
99.04444	11.0
99.08090	14.8
103.05445	6.0
105.01855	5.2
105.03371	5.5
105.07026	62.5
107.04975	24.5
107.08594	100.0
109.02880	17.1
109.06535	9.0
109.10168	40.4
111.04440	7.6
111.08102	10.2
112.08744	3.9
115.05457	4.4
117.06999	9.6
119.04974	4.1
119.08564	48.3
121.06487	11.4
121.10175	24.9
123.04450	15.8
123.08070	9.9
123.11713	17.4
124.05178	4.4
125.09638	5.9
127.03905	26.0
127.07528	5.3
129.07059	6.8
131.08548	18.0
133.02864	11.6
133.06497	8.1
133.10135	39.0
135.04424	10.1
135.08041	7.5
135.11681	16.9
137.05997	8.2
137.09618	10.5
137.13237	22.1
141.09085	4.5
143.08577	13.3
145.05051	5.8
145.06458	8.1
145.10118	22.0
147.04446	7.0
147.08052	4.4
147.11658	18.9
149.09628	7.2
149.13280	17.8
151.03899	9.4
151.11060	4.5
153.12711	6.8
155.08533	6.7
157.10143	12.0
159.08032	6.4
159.10381	5.9
159.11694	28.4
161.05974	6.0
161.09569	3.7
161.13264	69.1
163.03949	5.0
163.14867	6.2
165.12761	6.5
167.07040	26.4
167.08351	6.0
167.14261	4.7
169.10199	5.1
171.11655	10.2
173.09576	4.7
173.13237	15.2
175.03943	5.5
175.14836	10.9
177.12798	9.4
177.16510	3.9
179.14340	5.4
181.04977	18.2
183.07936	4.5
185.13185	6.1
187.14845	6.4
189.05563	3.9
189.12775	6.6
191.14229	5.7
195.06485	18.1
195.11830	4.3
195.13811	4.5
196.12402	3.9
201.12708	3.9
207.06479	4.2
207.11890	3.8
207.13840	9.1
211.07617	7.5
215.10672	5.9
215.14400	6.3
229.19543	12.4
233.08020	7.0
233.15466	5.5
245.15143	4.4
247.20595	60.1
253.12192	44.8
255.13655	3.7
257.15332	14.7
265.21646	17.9
271.13229	12.8
275.16425	20.6
283.22864	6.6
361.16339	7.4
374.45392	4.3
387.14377	5.3
397.17206	8.6
397.22501	4.4
415.17844	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.6
53.03951	13.9
55.01877	5.0
55.05508	9.5
57.03438	3.5
65.03937	3.0
67.05178	1.8
67.05507	19.2
67.13715	1.3
68.99816	1.2
69.03432	32.9
69.07061	5.8
69.40468	10.8
70.06606	2.9
71.05001	6.2
73.48937	1.2
77.03922	15.5
79.05488	22.5
81.03417	82.4
81.07059	17.2
83.04984	11.1
85.02903	15.8
86.09715	3.4
87.00826	1.3
87.04482	1.4
91.05482	25.8
93.07043	15.3
95.04974	16.8
95.08606	52.2
96.08908	1.4
97.02901	15.6
97.06572	2.5
97.10151	1.6
99.04460	14.7
99.94531	1.5
103.05471	5.1
105.03383	10.0
105.07023	18.4
107.04955	24.9
107.08590	16.5
109.02885	35.3
109.03596	2.2
109.06528	5.7
109.10157	29.9
111.04445	12.8
115.05474	3.7
117.07005	6.7
119.04952	5.2
119.08578	11.3
121.02896	1.4
121.06503	7.0
121.10146	21.3
123.04473	2.5
123.08072	1.7
125.96598	1.3
127.03924	17.8
128.06239	4.5
129.07014	4.8
131.04955	3.7
131.08548	10.2
132.05669	2.3
133.02856	83.0
133.06480	12.1
133.10146	4.6
133.98836	1.5
134.03616	3.0
135.04417	90.2
135.08044	3.0
136.04778	2.0
137.06030	2.7
137.09607	3.6
140.76955	1.4
141.07034	3.2
143.08549	3.6
144.05733	2.9
145.02910	1.6
145.05325	1.9
145.06485	14.8
145.10150	3.8
147.04422	21.8
147.08043	13.9
149.02321	2.4
149.05991	12.7
149.09642	3.6
149.13185	1.6
151.03905	90.5
152.04337	2.5
152.06229	1.8
153.07056	1.9
155.08519	9.4
157.06493	6.0
157.10100	1.8
158.07295	2.1
159.04437	5.6
159.08081	13.4
159.11720	2.2
161.05974	9.1
161.09607	5.2
163.04076	1.4
163.07585	2.0
165.05516	5.2
165.07028	6.1
167.07072	9.1
167.08592	3.8
169.06471	3.3
169.10117	1.8
171.08017	7.8
173.05978	16.9
173.09595	6.6
173.13203	1.8
175.03941	4.3
175.07495	7.1
176.04776	1.7
178.07803	1.5
179.07005	1.4
179.08569	2.2
181.04985	4.9
181.06534	3.8
181.10146	1.9
182.07266	3.1
183.08064	12.6
183.11676	3.2
185.05977	2.5
185.09671	8.1
187.07559	8.9
187.11108	1.5
189.05498	5.5
189.09172	5.6
189.16826	1.5
191.07010	7.5
192.09334	2.8
193.10179	4.2
195.06557	4.3
195.08116	12.0
195.15273	1.3
196.08784	8.6
197.06038	3.9
197.09703	5.3
197.13274	1.9
198.06599	1.5
199.07555	4.5
199.11174	2.1
199.99203	1.5
201.05403	2.0
201.09181	4.4
203.07106	3.8
205.08585	2.2
207.11737	5.5
209.09674	3.7
210.10410	7.9
211.07555	16.0
211.11189	20.9
213.09088	14.1
215.07054	4.7
215.10660	2.5
215.14380	1.8
217.04990	1.4
217.08575	1.9
223.11205	2.8
225.09171	3.9
225.12740	19.0
227.10733	5.1
229.08649	3.1
231.10109	2.1
233.08054	1.6
235.11212	4.6
241.12233	8.0
243.13797	25.9
245.11916	1.6
253.12236	100.0
254.12659	6.3
255.13972	2.1
259.13354	5.1
261.07877	1.6
267.13730	2.0
269.11688	2.0
271.13281	32.5
271.15994	2.3
277.07098	4.2
283.06229	3.1
289.14374	10.5
295.08304	3.1
295.13348	2.1
313.14355	1.9
337.14380	1.8
361.14493	1.8
369.16980	2.1
371.15601	1.6
379.15527	1.8
387.14444	2.0
397.16479	20.8
398.16666	2.2
407.53326	1.4
415.17627	50.5
416.18179	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	415.175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.5
53.03936	14.4
55.01856	6.2
55.05523	9.6
57.03440	4.4
57.07082	2.6
65.03932	7.2
67.05504	23.2
69.03429	29.2
69.07058	8.4
70.05460	1.7
70.06583	10.3
71.01352	1.8
71.04990	8.0
71.06914	1.9
71.53190	3.6
73.02905	1.9
77.03930	10.5
79.05493	32.6
81.03418	69.4
81.07055	26.7
83.04977	17.3
85.02911	13.0
85.06548	4.3
86.09698	3.2
91.05479	50.3
93.07047	25.7
95.04974	17.8
95.08605	53.3
97.02894	11.4
97.06512	4.2
97.10133	2.8
99.04474	12.2
99.08118	2.5
103.05453	5.2
105.03393	8.5
105.07024	21.4
107.04945	29.0
107.08575	23.6
109.02882	31.0
109.06497	9.6
109.10148	32.0
111.04436	12.1
111.08070	2.9
115.05453	3.8
117.07008	9.4
119.04948	41.2
119.08585	13.0
121.02882	2.8
121.06503	8.6
121.10152	14.1
123.04418	4.5
123.08077	3.5
123.11727	2.7
124.05221	2.9
125.06025	2.5
127.03898	18.4
128.06183	4.6
129.06989	4.7
131.04910	7.1
131.08513	9.1
132.05768	2.6
133.02840	48.3
133.06508	12.6
133.10130	7.6
135.04411	81.6
135.05434	4.5
135.08046	4.6
135.11687	3.2
137.05974	2.6
137.09637	4.6
141.06976	3.8
143.04922	2.0
143.08545	4.6
144.05734	4.3
145.02898	3.7
145.06491	15.0
145.10115	8.4
147.04393	42.3
147.08076	10.6
147.11685	4.3
149.02376	2.9
149.05997	13.1
149.09605	4.8
151.03903	63.7
153.06981	2.5
155.08545	4.6
157.06483	4.8
157.10147	2.9
159.04408	6.0
159.08051	11.8
159.11659	2.7
161.05978	6.5
161.09602	7.1
163.03923	3.9
163.07524	3.1
163.11206	2.3
165.05461	5.3
165.07002	3.3
167.07094	13.3
167.08376	2.8
167.10693	2.2
168.10275	3.0
169.06490	2.6
171.08081	7.8
173.05975	17.1
173.09613	6.6
175.03909	54.1
175.07547	5.7
177.05457	3.6
179.07069	2.6
179.08656	2.2
181.04953	10.4
181.06404	3.0
183.08008	3.9
183.11700	2.8
185.06000	2.8
185.09628	6.4
187.07535	8.1
189.05502	6.0
189.09077	6.7
191.07042	3.6
192.09407	2.0
193.04955	2.6
195.02969	2.4
195.06537	15.1
195.08102	4.6
196.08765	3.6
197.06061	2.6
197.09540	3.2
197.13275	2.1
199.07541	2.6
201.05481	2.7
201.09143	4.2
205.04823	2.6
205.08609	2.3
207.06523	100.0
207.11644	2.5
210.10461	4.0
211.07574	7.8
211.11177	3.8
213.09160	11.9
213.12689	2.8
215.10719	3.7
217.08521	2.5
225.09294	2.2
225.12730	8.9
227.10657	2.7
229.08519	2.8
233.08084	3.5
235.11307	2.4
237.09178	2.3
239.10983	7.0
241.08307	2.0
241.12270	6.2
243.13843	20.7
250.78769	2.1
253.12225	46.0
259.13345	4.1
269.11816	3.0
271.13290	27.8
289.14337	13.4
293.09201	2.1
301.10748	2.3
329.14142	2.1
369.17160	2.5
379.15115	2.5
387.14508	2.9
397.16455	5.8
415.17780	39.8
415.25916	8.9
416.17813	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	415.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
53.95875	0.9
54.81054	0.9
55.01872	3.3
55.05511	1.8
57.03436	1.0
59.05010	0.9
65.03932	2.0
67.05507	4.4
68.99792	4.8
69.03432	40.2
69.07057	4.2
69.33833	3.4
69.34261	4.1
70.06582	2.1
71.04974	1.8
72.08153	1.0
77.03909	2.0
79.05502	8.9
81.03413	5.9
81.07048	7.3
83.04963	1.9
83.08605	2.4
84.08134	0.9
84.95837	0.9
85.02913	7.1
85.06527	1.1
91.05457	6.2
91.05930	0.7
93.03393	1.9
93.07051	4.3
95.04974	9.9
95.08635	5.3
97.02888	2.4
97.06505	2.2
99.04443	3.9
103.05488	1.9
105.03428	4.3
105.07027	6.8
107.04961	18.0
107.08588	2.9
109.02871	6.2
109.06505	2.4
109.10150	3.9
111.04456	7.0
115.05435	1.6
117.07045	1.7
118.06522	1.4
119.04929	1.9
119.08564	3.1
121.02856	4.0
121.06535	4.9
121.10139	2.4
123.04408	6.8
123.11724	1.5
124.05185	1.4
124.11524	0.8
125.05975	5.1
125.09646	1.0
127.03907	3.1
129.06998	1.0
131.04918	2.2
131.08588	1.3
132.08057	2.0
133.02843	4.6
133.06511	8.5
133.10115	4.1
135.03404	1.9
135.04425	38.2
135.08052	3.7
137.02403	0.8
137.06006	1.8
137.09624	1.5
141.01833	1.9
143.08525	1.7
144.08124	1.3
145.06473	2.4
145.10136	2.2
146.06033	2.4
146.10446	0.9
147.04433	5.3
147.08075	0.9
147.11728	1.2
149.02367	2.1
149.05974	3.5
149.13367	1.0
151.03940	5.6
151.07542	1.1
153.01839	15.3
153.05457	2.1
155.08521	1.1
159.08133	1.1
159.11642	1.3
161.02252	1.2
161.05989	25.0
161.09534	1.4
163.03883	12.5
165.01839	35.3
165.06963	1.0
166.02194	1.3
167.03339	1.3
167.07080	7.1
167.08372	1.5
171.04420	2.1
171.07996	1.4
173.06065	1.1
175.03938	4.4
177.01848	12.6
177.05444	3.2
179.03389	6.5
181.04964	5.9
183.01346	1.7
183.02898	23.6
188.07028	3.1
189.05473	3.4
191.03392	38.4
193.01442	1.4
193.04942	4.6
195.02910	14.1
195.06541	7.4
195.08102	1.3
196.08971	1.1
197.00824	1.1
197.09702	1.2
201.05397	2.2
203.03404	21.5
205.08759	1.0
207.02885	6.1
209.04518	4.3
211.07538	2.0
211.11113	1.7
217.04976	11.8
219.02896	72.3
220.03188	2.1
221.04454	9.1
233.08040	1.5
235.05949	2.8
237.03978	5.0
245.04460	60.4
253.12241	16.8
263.05515	100.0
264.05765	1.9
267.06613	0.9
271.05792	1.0
271.13293	2.5
281.06564	16.7
287.09125	2.5
299.09314	10.1
304.07367	1.0
311.09116	12.3
317.02850	1.3
323.09363	1.3
337.10678	3.3
341.10229	3.6
353.10226	33.3
353.14529	1.8
354.10550	1.7
355.11734	1.0
379.11774	15.3
387.14398	2.7
397.12668	16.5
397.20990	1.6
415.13425	10.6
415.22021	1.4
415.27542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	17.2
57.07073	11.3
58.06587	1.4
67.05489	2.7
68.25157	0.9
69.07068	28.3
69.55399	5.8
71.08635	8.1
78.58820	0.7
79.05498	0.9
81.07055	4.4
83.08154	1.5
83.08617	23.4
84.08929	0.7
85.10190	4.6
93.07024	2.6
95.08617	4.9
97.10169	18.4
98.21486	1.7
99.51315	0.8
99.70261	0.8
102.05544	12.6
103.75468	0.7
104.07104	100.0
104.42144	0.7
105.07464	1.0
107.08623	1.8
109.10180	1.8
110.05032	0.8
111.11725	8.4
119.08542	1.0
121.10130	1.8
123.11747	1.2
125.13229	2.8
135.11700	1.0
139.14780	1.3
149.13245	1.3
153.16414	1.0
163.14833	1.0
165.12602	0.8
165.16362	0.8
209.19028	0.9
275.27286	3.4
293.28397	8.6
336.32199	0.8
364.32111	1.2
396.34744	16.0
397.35086	1.4
414.35187	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.9533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98629	0.2
55.59652	0.2
56.59125	0.2
56.96562	7.4
69.99967	1.1
71.95265	1.3
90.33157	0.2
98.97578	61.0
99.97909	0.4
105.56721	0.2
115.18798	0.2
116.98614	49.7
117.98979	0.4
126.35083	0.2
126.58406	0.2
130.93314	0.9
134.99651	26.4
136.00014	0.3
140.00218	2.0
144.65184	0.2
148.94353	0.3
153.00694	4.0
154.04778	0.2
158.01224	1.6
165.68239	0.2
172.94342	3.3
176.02202	0.3
179.65669	0.3
190.95386	5.0
192.98517	0.3
208.96465	2.5
213.96931	0.3
214.95396	1.9
216.98648	0.4
230.93420	0.7
232.96458	7.8
234.99817	0.7
241.94025	0.3
248.94400	1.1
250.97543	5.3
255.98106	0.4
256.96423	13.5
257.96872	0.6
258.99847	0.8
272.94418	0.8
274.97491	100.0
275.97830	2.3
276.97968	0.5
277.00870	1.2
280.49026	0.2
290.95337	2.1
292.98544	72.7
293.98956	1.2
294.99078	0.3
297.99084	6.9
298.97449	1.1
299.97729	0.4
307.00064	0.3
308.96619	0.4
310.99500	0.7
314.95419	1.9
315.96332	0.3
316.00110	3.7
316.98792	2.5
317.99036	0.3
318.98605	0.3
332.96555	4.1
344.97699	0.3
372.95932	1.2
373.00323	0.2
373.96591	0.3
390.96997	2.8
408.98074	0.4
413.98508	0.3
414.95255	3.6
432.96371	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	414.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81131	1.0
53.03944	2.7
55.01870	2.2
55.05499	2.7
56.05032	1.2
57.03429	4.2
59.04713	2.0
59.05001	40.2
61.02937	1.6
67.05499	1.3
67.24472	1.0
69.03436	8.3
69.07072	1.8
69.63409	4.3
69.63835	3.1
70.06593	14.0
71.05004	2.3
71.06921	1.1
72.08144	4.5
73.02905	1.8
73.06556	100.0
74.06881	1.1
79.05515	2.2
79.71340	1.3
81.03416	8.8
81.07066	1.7
83.04993	2.2
84.04491	2.1
84.08139	4.6
85.02908	21.3
86.09701	10.2
87.00828	8.0
87.70328	1.3
89.06007	1.3
91.05450	1.9
93.07029	1.6
95.04957	1.2
95.06090	2.0
97.02893	8.6
97.06490	1.3
98.21487	2.2
99.04438	4.8
105.01862	6.9
105.07032	1.5
105.30215	1.1
107.04963	1.9
107.08627	1.5
109.02861	7.7
109.06470	1.3
110.07175	2.0
117.09126	10.8
119.04897	1.5
120.08093	1.8
121.02858	5.1
123.62263	1.0
124.07620	1.3
126.05437	1.7
127.03928	12.5
129.10242	3.1
131.04935	1.4
131.10693	12.5
145.04967	5.1
147.04462	1.6
148.07562	6.5
149.11736	72.8
154.05025	2.5
159.02925	2.8
166.08653	2.7
181.15765	1.2
222.04005	2.1
231.04831	2.3
237.06317	2.3
252.03285	3.6
252.08618	7.9
252.12280	1.5
254.80435	1.1
288.23431	1.2
414.17712	1.7
415.07660	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3777
Annotation	28-Norurs-12-en-3beta-ol
Peak:m/z	Relative Intensity
52.76310	1.3
53.03946	2.1
55.05511	13.8
56.39891	1.3
57.07065	5.0
67.05502	25.0
69.07069	20.6
70.19082	1.8
70.19440	6.0
79.05488	14.3
81.03415	1.3
81.07056	80.7
83.08611	8.3
89.55632	1.4
91.05470	9.0
93.07042	23.1
95.04953	1.6
95.08609	100.0
97.10187	12.2
105.07039	14.8
107.08598	40.0
107.09312	3.0
109.10156	57.0
109.62257	1.2
111.11700	4.4
119.08578	20.1
121.10146	30.1
123.08075	4.0
123.11701	29.3
131.08554	1.7
133.10143	15.2
135.11697	25.3
137.13249	33.4
145.10118	1.9
147.11691	15.9
149.13251	22.9
151.14830	4.4
153.12718	2.5
159.11661	2.6
161.13252	18.3
162.13667	1.3
163.14821	18.2
164.23979	1.6
165.12764	4.9
165.16449	2.8
169.33525	1.9
173.13289	2.7
175.14899	11.4
177.16370	15.3
179.14302	17.6
179.18005	3.0
187.14778	1.8
189.16365	13.0
191.17943	18.8
201.16403	2.5
203.17967	14.4
204.18169	1.8
205.19490	6.6
207.17430	2.4
215.18007	4.0
217.19534	11.2
221.19011	2.6
231.21033	3.2
233.22688	2.6
235.20694	1.6
243.20975	2.5
245.22707	3.7
247.24420	1.8
257.22617	2.3
299.27792	1.3
327.43472	1.6
380.53238	1.5
395.36789	16.6
413.32291	30.3
413.37756	36.5
414.33002	2.6
414.38284	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80610	2.8
55.05517	43.4
57.03444	17.0
57.07081	39.8
64.14767	2.9
67.05505	16.9
69.06730	4.3
69.07073	55.2
69.29759	26.1
71.08635	28.5
79.05497	9.7
81.07063	26.1
83.08625	39.5
85.02416	2.9
85.10183	14.9
93.07072	16.2
95.08611	27.0
97.06554	5.9
97.10181	26.3
105.07076	6.0
107.08628	12.8
109.10149	14.4
111.11755	9.8
121.10156	9.4
123.11728	8.3
125.09630	4.5
125.13365	3.7
135.11708	13.6
139.11169	7.3
148.82208	3.3
149.13260	4.1
153.12813	4.8
163.14767	6.9
177.16426	4.7
191.18004	7.1
205.19592	4.4
321.31647	12.4
395.35239	12.5
413.36349	100.0
414.36246	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	413.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82923	1.3
53.03935	2.7
55.05505	3.9
57.07076	6.5
65.03918	1.5
66.91133	1.1
67.05508	14.6
68.66255	1.4
69.03397	1.4
69.07069	11.1
69.34364	12.1
71.04972	1.7
79.05480	6.1
80.24567	1.2
81.07056	64.5
82.53346	1.6
83.08647	7.5
89.37830	1.2
91.05479	5.5
93.07047	15.5
95.08608	100.0
96.28136	1.5
97.10152	3.3
102.98524	1.7
105.07032	6.7
107.08598	12.7
109.10159	26.1
111.11692	1.6
119.08601	6.9
121.10143	11.3
123.11710	24.5
129.63887	1.2
131.08598	3.2
133.10123	8.2
135.11694	10.3
135.37723	1.3
137.13257	84.3
138.35674	1.3
145.10071	4.1
147.11664	6.6
149.13271	7.4
151.14827	7.2
157.10147	2.7
159.11693	3.3
161.13284	4.9
163.14810	4.0
171.11665	2.0
172.36761	1.3
173.13274	2.8
175.14761	2.1
177.16405	1.7
187.14821	3.7
189.09109	1.5
189.16360	3.7
191.17958	2.2
193.12326	1.6
193.19566	3.7
199.14783	1.7
205.19516	2.4
215.17981	2.4
217.19473	8.9
227.17966	5.2
233.15361	3.5
239.17819	1.6
245.19070	7.0
257.19043	1.8
259.17224	1.5
261.18576	3.3
263.20020	4.0
275.20114	2.8
303.23581	1.5
341.21054	3.2
367.33136	1.9
395.29422	2.4
413.28760	1.4
413.34079	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	413.2684
Annotation	Robustol
Peak:m/z	Relative Intensity
52.23349	0.6
53.03955	2.4
55.01861	2.0
55.05515	5.1
56.96552	1.9
57.07080	1.5
58.07349	0.7
65.03920	1.0
67.05506	10.8
69.03423	1.5
69.07066	5.3
69.76704	4.3
71.04991	2.8
71.08623	0.8
72.33351	0.7
79.05496	26.3
79.96211	0.6
81.03410	1.4
81.07057	100.0
82.07381	1.5
83.04979	2.2
83.08628	3.5
85.06538	2.6
85.44431	0.7
91.05476	16.4
91.06020	1.2
93.07043	12.2
95.04979	3.2
95.08596	11.5
97.06536	2.3
97.10152	1.6
98.20813	1.6
98.97586	3.9
99.04442	5.0
101.05993	0.9
103.05457	0.8
105.07032	18.0
107.04948	1.0
107.08599	25.4
109.06518	46.1
109.10153	5.1
110.06855	1.5
111.08083	1.7
111.47118	0.7
115.05460	1.1
116.98621	3.2
117.07011	5.9
119.08582	27.9
121.06499	1.2
121.10138	9.5
123.08105	2.8
123.11700	4.9
124.93626	0.6
125.05965	1.1
128.06190	1.3
129.07014	2.3
131.08553	11.3
133.06500	1.2
133.09113	1.4
133.10132	26.9
134.99664	1.3
135.08057	18.0
135.11681	5.2
136.53709	0.7
137.09581	1.6
139.69516	0.7
141.07011	1.2
142.07765	1.9
143.08554	6.5
144.09360	1.2
145.06465	1.0
145.10121	14.1
147.08093	3.6
147.11684	9.7
149.09621	21.9
149.13295	1.9
151.07558	1.7
151.11220	2.5
153.09120	1.3
155.08604	2.4
156.09311	1.8
157.10136	10.6
159.08057	1.2
159.11694	11.5
160.12410	0.8
161.09622	18.7
161.13255	8.3
163.11183	2.8
165.09079	1.2
167.10713	1.6
168.09326	0.7
168.17708	0.8
169.10152	2.9
170.10931	1.3
171.11682	6.6
173.09633	3.4
173.13251	5.2
175.11194	6.8
175.14774	1.8
177.09096	1.8
177.12755	1.7
179.10709	6.1
181.10144	2.0
183.11699	4.9
185.13254	8.5
186.13913	0.8
187.11171	2.8
187.14835	4.6
189.12764	2.8
191.10672	2.3
191.14320	0.9
193.12231	9.4
195.11740	2.9
195.13791	0.9
196.12495	1.5
197.13249	2.6
199.11186	1.4
199.14877	3.2
201.12752	3.6
201.16376	1.9
203.10670	1.4
203.14333	4.9
203.17940	1.5
205.12251	1.5
205.16022	0.7
207.11763	1.0
207.13742	1.5
209.13269	2.1
211.14845	2.0
213.12778	1.2
213.16338	0.9
215.14336	3.5
217.12306	1.0
217.15933	0.9
219.13863	2.0
221.13365	1.5
221.15434	3.9
223.14809	1.8
223.16878	0.8
225.16412	2.3
227.14325	2.8
227.17915	7.2
229.15921	2.5
231.13939	0.8
231.17410	1.4
233.15456	1.8
234.14064	0.8
235.14867	1.3
235.17006	1.9
241.15993	1.0
243.13875	0.9
243.17418	1.3
245.15421	6.2
245.19011	6.2
247.16960	5.7
249.16498	0.9
251.18004	1.2
253.15877	1.0
257.15268	0.9
259.16934	0.9
261.18564	2.5
262.15594	0.8
263.20108	1.3
267.17474	2.2
269.18976	1.9
275.17786	1.0
279.17361	0.8
281.15479	0.7
285.18497	1.7
287.20166	5.6
291.20792	1.5
293.19049	1.0
297.18686	1.0
303.05402	2.0
305.21014	4.2
309.21967	1.3
311.20071	1.8
311.23450	1.3
321.06491	2.2
325.21634	1.2
327.23288	0.8
335.23679	5.3
345.06290	4.0
351.23145	1.7
353.21036	1.8
353.24738	4.4
355.22809	0.9
363.07428	1.7
367.26312	1.1
369.24316	2.2
377.24817	3.8
383.26129	1.2
386.09003	0.9
395.25793	9.6
413.26871	58.2
414.27151	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	413.2067
Annotation	Berbidine
Peak:m/z	Relative Intensity
55.05519	4.8
57.07064	2.8
58.06601	17.2
59.04994	0.9
66.14826	0.7
67.05507	6.3
69.07065	3.3
70.06599	1.9
71.05004	0.8
71.42326	0.7
71.52432	1.1
79.05498	1.1
79.81726	0.7
81.07043	2.1
83.08634	1.0
84.04498	5.7
84.08150	14.9
85.06540	3.8
91.05498	1.7
93.07053	1.0
95.08588	0.7
100.07601	1.7
105.07038	1.2
107.08617	0.9
109.10130	7.0
120.04467	0.8
126.09190	1.6
131.04918	1.6
133.10161	1.1
147.04395	4.4
159.04420	3.7
161.06010	0.9
163.03871	1.2
173.05917	1.9
175.03909	45.4
176.04442	0.9
177.05476	8.5
182.55266	1.1
185.06007	1.5
187.03885	13.9
187.07567	1.9
189.05492	7.4
199.03918	5.6
201.05470	4.2
201.09235	1.2
202.04967	1.8
203.03450	2.2
203.07098	2.3
211.07614	1.0
213.05475	12.3
213.09137	1.7
215.07022	1.9
217.08800	1.1
227.07033	4.9
229.08609	9.4
230.08218	1.0
231.10164	7.6
239.07030	3.3
240.07607	1.0
241.08612	5.9
243.10204	6.1
245.08090	3.5
246.11209	1.8
247.09700	11.5
253.06024	1.2
253.08493	5.2
255.10231	1.1
259.09692	4.3
267.10132	1.6
295.13318	3.7
312.16071	4.3
313.14343	7.7
330.16995	15.4
331.15210	4.2
344.74158	0.8
354.17007	35.9
355.17422	1.6
371.19635	10.5
372.18027	16.8
373.18298	1.1
413.20721	100.0
414.20966	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	413.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07664	3.5
53.03936	10.6
53.96695	2.7
55.01859	10.5
55.05508	18.5
57.03433	6.9
59.69598	2.6
61.02946	3.6
65.03915	3.7
65.29891	2.6
67.05498	30.2
69.03084	4.8
69.03430	54.6
69.07068	30.7
69.19339	31.0
70.06593	8.1
71.01342	2.8
71.04985	15.8
73.02912	7.2
76.40172	2.7
79.05499	44.7
81.03423	84.3
81.07055	57.8
83.04982	39.7
83.08620	3.4
84.04479	3.9
84.08163	3.3
85.02908	32.5
85.06531	11.5
86.09692	6.6
89.03950	2.8
91.05473	42.9
93.07046	51.6
95.04975	38.9
95.08597	24.4
97.02885	21.9
97.06525	58.8
98.97569	3.2
99.04462	25.7
103.03928	3.4
103.05473	4.9
105.03386	6.8
105.07033	86.7
106.07273	4.0
107.04948	14.4
107.08589	39.3
108.32834	3.2
109.02880	37.2
109.06514	27.9
109.10147	11.1
111.04433	6.5
111.08086	3.6
113.05962	5.6
115.03964	2.5
115.05470	4.6
117.07017	23.1
119.04923	10.2
119.08552	26.9
121.02914	3.0
121.05784	3.7
121.06517	38.1
121.10171	16.0
123.04417	3.2
123.08061	8.3
123.11699	5.0
125.06000	48.9
127.03934	21.6
127.07537	10.2
128.06186	6.6
129.07008	11.0
130.07739	7.6
131.04956	3.3
131.08551	29.5
133.02834	4.6
133.06502	15.1
133.10127	12.9
135.04395	5.1
135.08032	11.9
135.11684	16.5
137.05983	22.9
137.09662	4.4
141.06975	5.6
143.07040	19.2
143.08554	16.4
144.05629	3.1
144.09322	7.8
145.04947	3.7
145.06522	13.9
145.10121	100.0
147.08029	12.4
147.11667	10.2
149.05994	5.7
149.09618	8.4
149.13260	4.2
151.03888	4.3
151.07532	14.7
153.05559	3.4
153.06927	3.8
154.07793	5.3
155.08487	7.0
157.06529	3.4
157.10112	10.1
157.79977	3.2
158.07269	14.9
159.08038	17.5
159.11674	38.4
161.09622	8.9
161.13248	4.0
163.07547	5.4
163.11169	45.7
165.09174	3.7
165.12813	8.3
167.07022	5.3
169.10104	12.7
171.11707	8.0
172.08841	7.9
173.09612	72.3
173.11038	5.3
175.07581	5.4
175.11165	5.2
177.12767	5.2
179.08551	3.8
181.12119	3.5
187.07587	4.8
187.11182	64.6
189.12788	5.7
191.10674	42.2
195.11711	3.8
197.09636	7.7
199.06044	8.3
205.12241	52.1
207.06482	4.7
209.11743	19.1
213.09180	4.4
215.10669	68.5
233.11765	38.5
241.12180	3.3
251.12788	21.5
279.12274	4.6
331.15381	3.7
349.15878	3.9
361.96115	3.0
377.16003	6.4
395.16873	26.5
413.17813	20.9
413.26288	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	413.1413
Annotation	t(6)a
Peak:m/z	Relative Intensity
50.92934	0.2
51.94721	0.2
55.01859	0.6
55.05516	0.3
55.71142	0.3
56.05036	1.0
57.03438	0.5
60.04528	0.3
61.02914	0.3
66.33889	0.3
67.05502	0.6
68.05025	1.6
69.03434	1.9
69.05389	0.4
69.07063	0.5
70.06596	4.7
70.46374	0.4
70.46723	0.7
71.04986	0.7
72.08144	1.3
72.14754	0.3
73.02924	0.3
74.06084	2.4
79.05510	0.5
81.03420	1.7
81.07048	0.5
82.06593	0.4
84.04498	0.7
84.08148	1.7
85.02902	3.1
86.09699	1.3
87.00829	0.8
89.06027	0.9
91.05482	0.9
93.07052	0.4
95.04948	0.7
97.02888	1.3
97.06534	0.3
99.04454	0.7
102.05544	1.2
103.05433	0.3
105.01861	0.7
105.03381	0.8
105.07040	0.6
107.08585	0.7
109.02895	1.2
109.06522	0.6
110.07103	0.3
114.05528	5.9
115.05909	1.6
116.07102	0.8
117.05514	0.4
119.03539	3.0
119.04952	0.3
120.06575	7.9
120.08069	0.6
121.02843	0.4
121.06540	0.8
121.10143	0.4
122.06042	0.4
124.07577	0.5
125.05920	0.3
125.10828	0.3
127.03927	2.2
128.07072	2.2
129.07431	0.8
129.10248	0.8
133.06528	0.6
135.04401	0.4
136.06181	100.0
137.04585	2.0
137.05820	0.4
137.06598	0.6
139.07425	0.3
142.08575	0.3
145.02916	0.4
145.04945	0.4
147.04349	0.3
149.08125	0.9
159.03012	0.3
159.87228	0.3
161.05878	0.3
162.04111	58.5
163.04439	0.5
164.07056	0.4
165.05521	0.6
165.08955	0.3
167.87929	0.3
169.34357	0.3
174.07622	5.0
175.07980	3.7
180.99600	0.3
190.08746	0.3
199.10887	0.3
213.12398	0.7
231.05045	0.4
268.10379	1.1
281.09930	48.7
282.10098	1.4
298.17523	0.4
413.13934	0.8
413.19379	1.3
413.25067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0973
Annotation	Kinamycin E
Peak:m/z	Relative Intensity
56.96558	10.6
57.72421	1.0
70.06584	2.6
71.42204	1.8
72.08134	1.9
72.64249	1.0
81.03483	1.1
97.02885	1.4
98.97582	96.8
100.99136	1.8
110.97567	6.4
112.99155	6.0
116.97832	2.2
116.98622	39.2
119.00153	1.6
124.99168	2.2
128.98599	9.4
131.00168	10.1
134.99670	10.8
135.04898	1.0
143.00154	13.7
146.99663	6.8
149.01228	12.8
153.00801	1.4
155.00172	1.8
158.99658	46.7
161.01224	14.8
165.00757	1.8
167.02301	2.2
170.99634	7.2
173.01215	7.1
173.02594	1.2
175.04584	1.2
177.00716	37.6
179.02269	4.4
185.01222	4.1
187.02966	1.2
189.00716	9.6
191.02220	6.4
194.73016	1.2
195.01828	2.3
200.02377	1.7
201.00783	2.3
203.02328	6.2
203.03932	1.4
206.71211	1.1
207.01750	2.2
209.03343	18.5
219.01749	28.4
227.04402	11.8
231.01765	1.8
232.96217	1.2
232.99690	1.9
233.03481	1.8
237.02849	22.5
239.04683	1.2
249.02805	1.8
251.04381	2.6
261.02826	2.4
263.04376	3.5
279.03851	4.4
281.05383	11.7
293.01898	1.3
293.05475	3.7
309.05002	1.3
311.06482	2.0
323.02698	1.2
353.07547	100.0
354.07886	2.4
371.08600	59.6
372.09021	1.3
394.10272	4.4
413.09695	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	412.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
54.09015	0.3
55.05509	9.1
56.05021	0.4
60.87922	0.3
67.05505	0.4
69.03417	0.5
69.07039	0.6
70.06598	0.7
70.09797	0.6
70.10189	0.9
79.05482	1.9
81.03431	1.8
81.07053	1.1
82.06576	48.2
83.06901	0.4
84.08144	0.4
86.09695	0.7
86.94923	0.3
91.05442	0.6
95.04947	0.3
95.08600	0.5
96.08126	6.2
96.08701	0.5
97.02911	0.4
99.96740	0.3
100.07607	2.3
104.10735	1.2
105.03400	1.5
105.07029	0.3
105.15080	0.3
106.03704	0.4
107.04974	0.6
107.08579	0.3
109.10151	0.4
110.41129	0.3
123.08063	0.5
124.07584	15.5
125.07873	0.4
128.07071	100.0
129.07385	1.1
139.88690	0.3
142.08618	11.4
162.09145	2.4
163.09526	1.1
165.11801	0.3
170.08167	0.9
181.45166	0.3
184.07373	1.0
188.07475	0.5
188.09169	8.9
233.16502	0.6
234.16817	0.8
357.84436	0.3
366.22726	16.6
367.23102	0.9
412.23318	88.8
413.23849	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	412.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03970	0.7
52.31528	0.8
53.03946	1.6
55.05514	10.9
57.03423	0.9
59.04994	0.8
67.05507	2.9
69.03417	2.4
69.07064	1.5
69.17743	8.4
69.18154	1.6
70.06596	8.1
71.04987	1.1
72.08160	2.9
75.10166	0.9
79.05489	3.1
81.03420	5.1
81.07057	2.6
82.06580	47.2
83.04976	1.6
83.08621	1.0
84.04498	2.5
84.08151	3.5
85.02901	4.5
85.06549	1.5
86.09717	4.9
91.05488	2.8
93.07046	2.9
95.04982	2.7
95.08608	2.1
96.08128	7.4
97.02886	1.6
99.04433	1.1
100.07625	3.5
104.10742	5.1
105.03388	13.1
105.07059	2.0
106.03719	4.7
107.04972	1.6
107.08605	2.4
109.02888	1.9
110.07143	0.8
116.11435	0.7
117.07037	1.7
119.04982	1.8
119.08588	1.6
120.08112	1.9
121.02856	1.1
121.10146	1.5
123.08070	0.9
124.03948	1.0
124.07592	14.6
124.99975	1.1
127.03938	2.0
128.07080	100.0
133.06593	1.0
133.10144	1.0
134.09671	1.0
135.04408	1.2
135.11758	1.3
136.07550	1.0
142.08629	11.8
145.04968	1.5
145.06483	1.0
145.10123	2.0
147.04420	1.4
147.11642	1.2
151.03947	1.0
162.09134	15.4
163.09503	9.4
164.07094	2.6
165.05446	1.1
167.07118	1.3
177.05473	1.8
184.07347	4.8
187.29364	0.9
188.09169	7.3
190.08635	1.6
205.08652	1.3
207.06569	2.1
217.29858	0.9
231.10435	1.0
232.10478	1.4
233.16566	6.5
234.16803	7.2
250.10942	2.3
272.12973	1.0
366.22699	17.0
394.14743	1.2
394.26926	1.0
412.23376	91.5
412.27570	4.7
413.14264	1.5
413.23425	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	412.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63044	0.3
52.78854	0.3
53.03951	0.4
55.01877	0.3
55.05508	0.6
57.07052	0.5
60.28460	0.3
60.50722	0.3
65.03925	0.4
67.05496	0.9
69.03424	0.6
69.07060	0.6
69.45316	2.5
70.06584	0.9
72.04529	1.8
78.04663	0.3
79.05497	3.3
79.62967	0.3
81.03419	0.7
81.07046	1.5
83.05012	0.4
84.04478	0.6
84.08157	0.3
85.02921	0.3
85.06536	0.6
85.37347	0.3
86.09695	0.5
88.02219	1.4
89.76363	0.3
91.05485	5.5
93.07041	1.2
95.04959	1.3
95.08589	0.3
98.21585	0.5
99.05624	0.4
102.03759	0.7
105.03398	2.5
105.07002	0.8
106.03680	0.6
106.06557	7.4
107.08594	1.3
108.08118	2.5
108.67098	0.3
109.06528	0.8
109.10147	0.7
113.05988	0.4
114.03753	0.7
116.04974	3.7
119.06077	0.4
119.08601	0.5
121.06511	0.3
121.10172	1.0
131.08557	0.3
132.04761	1.7
133.10139	0.6
134.06015	100.0
135.06358	1.6
135.08040	0.4
142.08636	1.2
145.10129	0.7
149.07430	1.9
157.10217	0.3
159.05902	0.4
159.11743	0.6
162.09135	2.3
163.09531	1.5
171.11761	0.5
175.05400	0.9
187.11119	0.4
201.12720	0.4
205.09747	4.9
218.46979	0.3
233.16551	1.0
234.16815	1.0
261.12689	7.3
262.13043	0.4
282.12704	19.0
283.12869	0.6
288.03818	0.4
298.65906	0.4
394.17950	9.7
395.18457	0.8
412.26172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
54.18333	0.2
55.01871	0.4
55.05501	0.4
56.05029	0.2
57.03410	0.2
60.08138	0.2
64.14384	0.2
65.03922	0.3
67.04236	0.7
67.05498	0.6
69.03423	2.1
69.07045	0.3
69.95232	0.9
70.06588	1.5
71.04983	0.4
72.08155	0.7
79.05482	0.4
80.05003	0.3
81.03424	1.1
81.07054	0.7
82.06575	18.2
83.04953	0.3
83.06887	0.2
83.07343	0.4
84.04482	1.3
84.08142	1.1
85.02898	2.2
86.09676	1.0
87.00830	0.5
91.05482	0.4
93.07017	0.4
95.04997	0.3
95.08591	0.5
97.02878	0.7
97.06515	0.2
99.04446	0.6
100.07613	4.7
102.05510	0.2
104.10728	0.8
105.03378	3.2
105.07029	0.4
106.03694	0.9
107.05008	0.3
107.08588	0.4
109.02885	1.1
109.10153	0.2
110.07155	0.3
119.04922	0.4
120.08075	0.3
121.02888	0.3
121.10149	0.2
123.08059	0.3
124.07591	0.2
124.99944	0.2
127.03930	1.5
128.07069	100.0
129.07416	0.7
129.10243	0.3
134.06035	0.3
135.04359	0.3
135.06383	0.2
136.07594	0.4
142.08627	13.4
145.04929	0.5
146.05980	0.2
146.08130	0.5
147.04416	0.3
149.04701	0.2
151.07431	0.2
152.07100	0.2
155.08672	0.2
157.10201	0.2
160.07585	0.4
162.09140	3.0
163.03915	0.3
163.09471	1.9
164.05681	0.4
164.07062	7.1
177.05444	0.3
184.07346	0.8
188.09171	9.4
199.68726	0.2
206.08122	0.2
216.51070	0.2
231.04947	0.2
233.16557	1.3
234.16788	1.4
248.12823	0.4
249.13155	0.2
250.13353	0.2
330.61191	0.2
366.22751	4.8
367.23010	0.2
412.23294	53.9
413.14108	0.7
413.23880	1.9
421.09830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
59.05000	51.3
67.05498	1.3
69.03421	6.7
69.07055	1.3
69.53207	6.4
69.53616	2.0
70.06579	5.6
71.05000	1.3
71.20462	1.1
73.02906	2.1
77.19332	1.3
81.03403	6.4
81.07020	1.7
82.06571	3.5
84.08125	3.9
85.02883	5.6
86.09728	2.8
87.04424	2.0
87.99654	1.2
96.08129	1.6
97.02908	8.3
97.06522	1.7
99.04405	1.5
101.06017	13.3
105.03380	8.3
105.07008	1.7
106.03707	3.1
109.02862	1.6
115.03937	11.1
120.08079	6.5
121.08486	1.6
124.07616	1.8
127.03893	4.0
128.07083	7.9
128.10718	3.3
129.05482	100.0
129.10216	2.7
130.05809	1.7
145.04965	6.9
147.06522	24.2
162.09126	8.8
163.09464	5.1
164.07101	2.3
188.09222	1.7
191.10722	1.5
232.05998	1.9
233.16479	3.9
234.16833	4.2
250.07109	3.2
259.08163	2.5
262.17453	1.3
273.09799	3.1
291.10721	6.1
412.19293	9.7
412.27539	3.8
417.79269	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3622
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03912	1.0
55.05511	5.7
56.06536	0.9
57.07075	8.3
64.48840	1.0
67.05505	16.7
69.07073	13.5
70.24265	1.2
71.04986	2.5
71.08628	1.3
71.34076	1.0
71.45119	1.1
71.45428	1.3
75.83955	0.8
79.05496	8.5
81.07056	67.5
83.08623	5.6
85.06551	14.0
91.05482	4.8
92.36164	1.1
93.07047	12.9
95.08606	100.0
97.10170	3.5
105.07019	8.5
107.08590	16.7
109.10159	29.0
111.11716	2.2
113.09663	2.2
117.07018	1.1
119.08577	12.9
121.10148	14.6
122.56225	1.1
123.11710	22.9
131.08580	5.5
133.10133	9.4
135.11685	14.6
137.09605	1.4
137.13255	70.9
143.08554	1.3
145.09082	1.3
145.10126	7.2
147.11685	8.0
149.13264	11.3
151.14842	8.8
157.10149	2.4
159.11690	7.7
161.13252	7.0
163.14859	5.8
171.11685	2.9
173.13264	6.9
175.14854	4.2
177.12628	1.2
177.16405	4.5
179.14334	1.1
179.17998	2.2
185.13190	1.2
187.14813	8.0
189.12729	2.2
189.16414	4.2
191.14325	2.0
191.17921	8.9
193.15877	5.1
193.19548	2.9
199.14862	3.6
201.16347	7.9
203.14307	1.3
203.17984	3.9
205.15924	1.7
205.19537	3.7
213.16438	2.2
215.18007	4.5
217.16002	1.1
217.19638	2.0
219.17429	3.0
219.21068	2.1
227.17990	1.1
229.19589	2.9
231.17429	1.8
231.20988	1.0
233.18843	1.3
241.19528	3.7
243.21082	13.7
255.21133	4.1
259.20599	2.2
261.22107	8.3
269.22650	3.9
273.22177	2.3
287.23648	2.7
337.28983	1.1
393.35104	11.2
408.43323	1.1
411.36276	35.0
412.36588	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.253
Annotation	Dehydrorobustol B
Peak:m/z	Relative Intensity
53.03942	2.0
55.01883	1.2
55.05524	6.2
57.03403	1.2
57.07067	1.8
65.03928	1.5
67.05505	11.5
69.03415	3.8
69.07065	7.0
69.53844	7.3
71.04988	2.6
79.05493	21.0
80.17548	0.9
81.03430	2.3
81.07058	52.0
83.04966	2.6
83.08614	1.8
85.06536	3.3
91.05475	16.3
93.07045	18.6
93.86399	1.0
95.01315	2.9
95.04986	5.0
95.08606	12.1
97.06513	2.8
103.05438	1.2
105.03375	6.2
105.07037	29.3
106.26157	1.0
107.08597	19.8
109.06522	24.0
109.10146	5.6
111.08073	1.4
114.81454	0.9
117.07024	8.0
119.07800	2.0
119.08580	23.5
121.06519	5.2
121.10157	9.5
123.08060	5.0
123.11762	1.2
126.16176	1.2
127.07578	1.1
128.06197	3.8
128.78204	1.2
129.06982	6.1
130.07852	1.3
131.08569	16.8
133.06493	6.5
133.10136	19.4
135.08054	11.6
135.11693	5.4
137.09637	3.3
139.07582	1.0
141.07014	2.2
142.07776	2.8
143.08548	13.5
144.09299	1.3
145.10144	23.8
147.08057	4.0
147.11711	10.8
149.09622	10.5
149.13240	2.2
151.07565	2.2
151.11206	1.8
153.09113	1.3
155.08524	5.9
156.09349	3.6
157.10144	22.8
158.10764	1.8
159.08093	4.6
159.11690	21.3
161.05974	10.5
161.09653	10.4
161.13258	5.1
162.09145	8.5
163.11185	2.3
165.06960	2.2
165.09160	2.0
167.08589	2.7
168.09373	2.1
169.10176	7.4
170.10861	2.9
171.07993	2.3
171.11687	15.9
172.08783	1.7
173.09616	4.0
173.13281	12.8
175.07558	1.4
175.11200	6.4
175.14835	1.2
177.09097	3.1
177.12698	1.7
179.08598	1.2
179.10704	2.7
181.10104	5.0
182.10947	1.9
183.11711	9.4
184.12622	1.1
185.09648	3.1
185.13252	14.1
187.11163	4.7
187.14848	4.2
189.09152	2.6
189.12772	4.2
191.08734	1.2
191.10661	2.1
193.10150	3.1
193.12206	3.7
194.10945	1.4
195.11755	6.1
197.13287	8.2
199.07907	1.1
199.11127	3.3
199.13217	1.3
199.14809	6.4
201.12691	6.4
201.16376	7.5
203.10730	2.5
203.14265	1.5
205.10318	1.4
205.12148	1.9
207.11694	3.8
207.13786	1.2
208.12520	1.5
209.13261	4.7
210.13927	1.3
211.11209	1.7
211.14845	5.0
213.12714	2.2
213.16269	2.5
215.10744	1.1
215.14337	4.0
215.17924	4.1
217.12321	1.9
219.11873	2.6
219.13867	2.8
221.13274	4.0
223.11130	1.4
223.14796	4.8
225.12775	1.6
225.16391	5.1
227.14342	2.8
229.12358	1.3
231.13774	3.1
232.12477	2.0
233.16431	4.8
234.13957	1.6
235.11169	1.5
235.14862	3.6
237.16409	3.0
239.14511	1.6
239.17888	1.4
241.15762	2.6
243.13884	2.4
243.17459	6.3
245.15404	6.0
247.15123	2.6
249.16461	2.6
251.18044	1.2
257.15482	1.4
257.19125	2.0
259.16998	2.4
261.16385	1.7
261.18729	1.9
263.17990	2.6
265.15964	1.7
265.19513	1.3
277.19290	1.2
279.17651	1.1
279.20850	1.5
281.15503	1.6
281.18750	2.1
283.16776	1.3
285.18430	2.9
289.19632	1.4
291.17532	2.3
293.18967	1.5
297.18585	1.6
302.18582	1.3
303.19595	4.0
305.18979	1.9
307.17102	1.5
307.20563	4.4
309.18622	2.4
309.22177	5.6
323.20062	2.7
323.23685	5.8
325.21655	3.1
333.18777	1.3
333.22195	5.6
343.22678	1.6
347.23932	2.2
349.21555	1.4
351.19626	1.8
351.23178	10.7
353.17542	2.7
365.24738	4.8
367.22491	2.8
367.26553	2.2
369.24341	2.7
375.23245	3.8
381.24277	1.3
383.25763	1.6
393.20294	2.1
393.24454	13.1
411.25351	100.0
412.25848	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	411.2171
Annotation	Gypothamniol
Peak:m/z	Relative Intensity
53.03937	1.9
55.01862	3.0
55.05500	2.4
59.05008	4.9
59.97756	1.1
67.05513	5.5
69.03423	3.2
69.07054	4.2
70.58855	3.2
70.81693	1.0
71.04962	1.2
77.03918	1.3
79.05488	12.8
81.03413	6.5
81.07053	8.0
83.04968	1.9
83.08601	1.4
85.02882	2.0
85.06533	1.2
91.05473	8.5
93.07057	7.4
95.01331	29.0
95.04970	9.6
95.08599	4.2
97.06567	1.3
103.05466	4.4
105.03398	7.9
105.07032	43.3
107.04946	2.3
107.08618	6.2
109.06517	4.4
109.10154	3.4
111.08043	1.1
114.13708	0.9
115.05466	2.8
117.07021	6.1
119.08577	14.6
121.06513	3.2
121.10152	5.3
123.08061	1.7
128.06232	4.9
129.07005	5.1
131.08569	8.6
133.06490	32.6
133.10133	6.3
135.08037	3.2
135.11726	3.6
137.05991	1.8
137.09666	1.3
138.33728	1.0
141.07031	2.0
142.07784	3.1
143.08556	19.6
143.09581	1.8
145.06491	4.2
145.10112	13.2
147.08008	5.6
147.11696	9.3
149.06003	2.0
149.09608	2.1
154.07707	1.7
155.08554	6.9
156.09337	2.8
157.10136	10.5
159.08078	4.3
159.11696	4.9
161.05983	100.0
161.09644	3.0
161.13191	6.4
162.06346	1.1
162.09114	10.9
163.07571	2.3
163.11252	1.0
165.07010	1.6
166.07881	1.4
167.08585	3.5
168.09329	1.4
169.08698	1.7
169.10104	8.5
170.10898	1.2
171.08069	3.5
171.11705	9.1
173.06018	1.3
173.09619	1.5
173.13286	3.2
175.07545	14.5
177.09152	1.2
179.08585	2.8
181.10101	6.0
183.08093	1.6
183.11691	6.0
184.37032	1.1
185.09589	5.6
185.13228	7.0
187.07518	5.1
187.11154	2.8
187.14799	1.9
189.09140	3.5
189.12746	2.6
191.10751	1.2
192.09305	1.5
193.10146	3.8
194.11020	1.8
195.08055	1.3
195.11710	4.4
197.09677	3.4
197.13351	2.6
199.07538	1.4
199.11208	3.8
199.14868	2.2
201.09174	2.5
201.12756	1.6
203.08852	1.1
203.10695	3.4
203.14415	1.6
204.09332	1.1
205.10223	1.8
206.10951	1.3
207.11685	2.4
209.09592	4.6
209.13271	3.8
211.07611	2.4
211.11264	3.4
211.14769	1.8
213.09125	1.5
213.12798	1.8
215.10728	1.4
216.09315	1.7
217.10225	1.3
218.10995	1.2
219.11682	2.7
220.08897	1.6
221.09721	2.3
221.13239	4.4
223.11172	2.4
223.14853	2.3
225.09100	2.7
225.12700	2.3
227.10628	5.7
227.14386	1.5
229.12270	2.1
230.10915	1.5
231.11710	2.3
231.13808	2.7
232.12645	1.4
233.09651	1.8
233.13263	1.6
233.16582	6.8
234.10332	1.4
235.11151	2.4
235.14844	1.2
237.12753	2.5
237.16608	1.6
239.14369	3.5
241.12315	2.4
241.15886	1.8
245.13295	1.7
245.15469	1.4
246.10231	1.5
247.11176	2.2
247.14958	1.4
248.11981	1.4
249.12646	3.2
249.15002	3.6
251.10716	4.3
251.14421	1.7
253.12276	3.0
255.13966	1.3
260.11981	1.3
261.12820	2.4
263.10837	1.7
263.14188	2.5
264.11426	1.9
265.12155	5.8
266.13068	1.9
267.13882	5.7
269.15601	2.1
273.12802	3.7
275.10632	1.0
275.14297	2.5
277.12021	1.8
277.15915	1.3
279.13861	3.4
287.14276	2.1
289.15970	1.6
291.13864	2.7
293.15472	2.7
307.13727	1.0
307.16754	5.5
309.18454	12.4
315.13876	1.9
315.17261	1.4
323.19962	1.7
324.13312	1.4
325.18152	2.2
333.14774	2.6
333.18573	6.9
335.16516	4.5
342.14542	1.4
347.20206	2.7
349.21457	1.3
350.15326	1.1
351.15866	3.2
351.19525	2.7
353.17456	25.0
365.21301	1.5
367.22668	4.7
368.16214	1.8
375.19604	4.0
393.20584	29.1
394.20984	1.4
411.21689	39.5
411.27603	3.9
411.36337	2.4
412.22202	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2165
Annotation	Gypothamniol
Peak:m/z	Relative Intensity
51.02368	0.6
53.03934	1.3
55.01868	2.7
55.05510	2.1
57.03414	0.7
59.04998	4.5
65.03930	0.7
67.01854	0.7
67.05503	3.7
69.03426	2.5
69.07068	2.2
69.61650	0.4
69.72369	2.6
71.01315	0.7
71.04996	0.6
79.05077	0.8
79.05492	12.3
81.03417	4.6
81.07054	6.4
83.01328	0.8
83.04963	0.6
83.08600	1.0
85.02875	0.5
85.06535	0.7
86.92235	0.4
89.02362	0.9
91.05479	9.3
93.07046	5.8
95.01328	26.6
95.04967	6.1
95.08595	2.7
97.02888	0.9
97.06500	1.2
97.10140	1.1
98.21484	0.8
101.86369	0.4
103.05461	5.6
103.77177	0.4
105.03387	7.1
105.07028	44.2
106.07399	0.5
107.04926	1.7
107.08585	4.8
109.02869	0.5
109.06521	4.4
109.10171	2.5
111.04424	0.5
115.05450	2.2
117.07040	3.8
119.04948	1.0
119.08582	12.8
121.06512	2.5
121.10130	3.2
123.04431	1.1
123.08049	1.1
123.11683	0.8
125.05970	0.7
125.09583	0.6
128.06215	3.5
129.06998	4.5
130.07770	1.3
131.04907	0.7
131.08562	9.0
132.05666	0.6
133.06490	31.9
133.10124	6.6
135.08029	1.6
135.11688	1.9
136.14645	0.5
137.05954	1.5
137.09615	0.6
138.32486	0.4
141.07025	2.5
142.07784	3.7
143.08560	17.7
144.09264	0.5
145.06464	3.0
145.10127	10.3
147.04347	0.8
147.08037	4.9
147.11696	7.3
148.27217	0.5
148.42995	0.4
149.05946	1.5
149.09589	1.1
149.13257	1.2
151.03867	0.9
151.07558	0.6
152.06224	0.6
153.06982	1.6
153.09067	0.7
154.07814	1.3
155.08543	6.4
156.09389	3.3
157.06552	0.7
157.10123	9.3
158.10718	0.6
159.08052	3.1
159.11664	4.3
161.05978	100.0
161.09563	3.6
161.13258	6.8
162.06305	2.1
162.09137	8.0
162.38574	0.5
163.07510	1.6
163.11191	0.8
165.07005	1.8
166.07761	1.5
167.08568	4.5
168.09314	1.5
169.06447	1.2
169.08691	0.6
169.10097	7.7
170.10872	1.5
171.08064	3.8
171.11676	8.6
173.05989	1.1
173.09676	2.7
173.13246	3.0
175.03973	0.6
175.07530	11.1
175.11224	1.0
175.14835	0.5
177.09114	1.0
178.07819	0.9
179.08533	2.6
179.10707	0.5
180.09361	0.9
181.06497	0.5
181.08682	0.8
181.10139	6.7
182.10907	0.6
183.08093	1.8
183.11670	5.9
184.08727	0.6
185.06029	1.0
185.09633	5.6
185.13263	6.2
187.07544	4.5
187.11198	1.9
187.14812	1.8
189.09132	2.1
189.12697	3.0
190.07709	0.8
191.08716	0.8
191.10561	0.8
192.09332	1.8
193.10147	4.1
194.10928	0.9
195.08011	1.2
195.11702	3.8
197.09598	3.5
197.13252	2.3
198.06738	0.5
199.07545	1.3
199.11179	2.0
199.14900	1.6
201.09125	1.6
201.12703	1.4
202.07732	0.6
203.06953	0.5
203.08653	1.1
203.10684	2.7
203.14381	1.0
204.09329	1.3
205.10141	1.9
205.12236	1.6
206.10947	1.3
207.08168	0.6
207.11809	2.8
208.12427	0.8
209.09653	3.1
209.13249	3.5
210.10431	0.8
211.07660	2.3
211.11224	2.5
211.14873	1.6
212.08316	0.6
213.09148	1.7
213.12714	1.3
215.08633	1.0
215.10680	1.2
216.09335	1.3
217.10153	1.6
218.10890	1.5
219.11790	3.0
219.13687	0.7
220.08850	0.6
220.12460	1.0
221.09782	2.3
221.13324	2.8
222.10429	0.8
223.07709	0.5
223.11224	2.8
223.14809	2.1
224.11909	0.6
225.09047	2.9
225.12738	2.2
226.09831	0.5
227.10669	5.7
227.14290	1.3
229.10118	1.4
229.12256	2.3
230.10928	1.6
231.11679	1.9
231.13853	2.9
232.08844	1.0
232.12370	0.9
233.09660	1.7
233.13295	1.6
233.16464	4.7
234.10458	1.0
235.11220	1.9
235.14862	1.0
236.11925	0.9
237.09076	1.1
237.12756	2.0
238.09920	0.8
239.10710	1.5
239.14351	2.6
241.12251	1.2
241.15947	0.8
242.10910	0.6
243.11685	0.6
245.09805	0.7
245.13240	1.5
245.15442	1.9
246.10385	1.0
247.11340	2.5
247.14832	1.1
248.11903	0.7
249.09052	0.8
249.12698	2.8
249.14865	3.3
250.09859	0.9
251.10706	2.8
251.14337	1.6
252.11484	0.8
253.12270	3.0
253.19629	0.5
255.13835	0.6
257.13110	0.9
257.15469	0.5
258.10391	1.5
259.11459	0.8
260.11896	0.6
261.09152	0.5
261.12701	1.7
261.16418	0.8
262.10098	0.7
263.10666	1.2
263.14325	1.8
264.11450	1.4
265.12152	3.6
265.15909	1.2
266.13007	1.8
267.13751	3.1
269.15573	1.0
272.12027	1.1
273.12704	3.4
274.13446	0.7
275.10999	0.6
275.14349	2.7
277.12350	1.3
277.15845	0.6
278.13065	0.7
279.13861	3.2
279.17395	0.8
280.14502	1.4
281.15442	0.7
285.14886	0.7
287.14224	1.7
289.15936	1.9
289.94482	0.5
290.13022	0.6
290.56638	0.5
291.10577	0.7
291.13867	2.6
291.17499	1.4
293.12018	0.7
293.15375	3.3
297.11243	1.4
299.05621	0.5
305.11972	0.6
305.15350	1.5
305.18771	0.9
306.16061	0.7
307.16812	3.7
308.17664	0.6
309.14920	1.0
309.18448	9.1
309.74484	0.6
311.12628	0.7
315.13754	1.9
315.17548	1.4
317.15396	0.7
319.17026	0.9
323.16608	0.7
323.19974	2.1
324.13647	1.3
325.17877	0.9
329.19040	1.0
333.14877	3.6
333.18561	6.3
334.19339	0.6
335.16440	5.8
337.14285	0.9
342.14594	0.8
347.20123	1.9
349.21661	1.6
350.15164	1.2
351.15939	3.7
351.19724	1.9
353.17450	22.5
354.17938	1.5
355.15491	0.9
357.18472	0.5
365.21005	0.9
367.22562	3.3
368.16171	1.7
369.17023	1.1
375.19614	3.4
393.20596	26.6
394.21088	1.2
411.21725	33.3
411.27692	2.5
412.22009	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2165
Annotation	andiconin
Peak:m/z	Relative Intensity
54.68925	4.5
55.05502	7.2
64.39423	3.8
64.61210	4.3
67.05492	19.3
69.03426	11.9
69.07057	17.3
71.17980	8.9
79.05470	13.3
81.03410	16.0
81.07070	25.5
83.04978	4.1
83.08617	5.5
85.02883	3.9
91.05486	25.0
93.07038	20.5
95.00767	7.9
95.01331	92.9
95.04987	39.8
95.08619	26.3
99.43433	6.1
103.05465	5.3
105.03417	23.6
105.07040	36.3
107.08585	16.5
109.06522	9.4
109.10141	15.2
115.05493	4.7
117.07020	8.1
119.08573	41.0
121.06490	14.0
121.10188	21.9
121.10932	4.4
123.08059	4.8
123.11681	5.1
128.06259	6.0
129.06989	8.0
131.08597	19.7
133.06505	9.6
133.10123	18.9
135.11678	6.5
140.70316	4.0
142.07753	7.4
143.08539	23.2
144.09337	4.6
145.06487	9.6
145.10126	30.4
147.04384	4.1
147.08032	8.6
147.11722	11.2
155.08562	13.5
157.10136	29.8
159.08073	5.7
159.11714	17.1
161.05965	20.9
161.13306	11.2
162.09114	17.5
167.08545	9.9
169.10097	14.3
171.08073	7.8
171.11671	14.0
173.09698	7.5
173.13272	10.3
175.14786	10.4
177.12816	5.0
179.08600	7.5
181.10092	13.3
183.08092	4.2
183.11700	16.4
185.09654	8.9
185.13380	23.0
187.14896	11.1
189.16263	6.5
191.18007	5.4
195.11679	12.5
197.09727	5.0
197.13248	15.9
199.11176	6.0
199.14757	7.6
201.12791	12.8
201.16373	9.6
203.14325	11.1
207.11790	6.2
209.13254	14.7
211.11139	5.5
213.12726	7.2
219.11693	5.8
223.14809	6.9
225.12840	7.9
225.16367	6.4
227.10706	4.9
230.82683	4.6
233.16446	12.5
237.16479	7.4
241.15895	7.7
241.19518	16.5
243.17450	5.2
248.48662	4.2
249.12624	5.5
253.11993	4.6
267.17291	4.8
315.19745	9.5
347.20016	8.3
365.21045	13.5
375.19193	9.9
393.20599	32.1
411.16467	6.2
411.21750	100.0
411.27930	10.2
411.32791	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	411.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81227	0.8
53.03943	1.2
55.01865	3.9
55.05521	4.0
57.03428	1.0
57.07077	1.4
59.05002	4.7
67.05499	5.9
67.15540	0.8
69.03425	4.5
69.07059	4.4
69.95133	1.7
69.95547	3.7
70.06600	1.4
71.01363	0.9
71.04978	1.7
73.02913	0.9
79.05493	11.9
81.03408	7.0
81.07057	10.2
83.04984	1.9
83.08611	2.2
84.08117	1.2
85.02886	1.0
85.06529	1.7
91.05479	11.5
93.07040	8.0
95.01326	26.4
95.04962	10.4
95.08621	4.2
97.06516	1.3
97.10182	1.2
103.05442	5.0
105.03393	24.8
105.07030	43.8
107.04900	1.6
107.08591	6.7
109.06523	5.7
109.10159	3.9
111.08090	1.4
115.05463	2.1
115.63720	0.9
117.07009	4.8
119.08574	15.0
121.02886	1.0
121.06512	3.1
121.10159	5.7
123.08049	2.1
123.11717	1.7
125.09674	0.9
128.06213	4.0
129.06998	4.8
131.08582	10.7
133.06488	31.5
133.10114	7.7
134.05925	1.5
135.08032	2.8
135.11668	2.3
137.05966	1.8
137.09589	1.6
141.07004	1.5
142.07773	3.8
143.08563	19.6
145.06488	3.5
145.10144	11.9
147.04422	1.2
147.08049	7.0
147.11703	8.8
149.06001	1.2
149.09604	1.2
153.06921	1.0
154.07762	1.8
155.08517	7.5
156.09328	4.1
157.10121	12.0
158.10735	0.8
159.08018	4.3
159.11673	6.1
161.05980	100.0
161.09554	4.2
161.13243	7.6
162.06355	1.4
162.09140	29.7
163.07498	1.7
165.07031	2.1
166.07780	1.5
167.08524	3.0
168.09334	1.3
169.10114	9.9
171.08041	3.8
171.11674	10.3
173.09656	2.6
173.13271	2.9
175.07559	12.8
175.11200	1.3
177.12631	1.3
178.07826	1.4
179.08545	3.9
181.10101	6.6
182.10808	1.1
183.08086	2.3
183.11671	7.0
185.09656	6.4
185.13231	8.8
187.07597	6.2
187.14787	2.0
189.09114	2.5
189.12758	3.2
191.10733	1.0
192.09315	1.9
193.10135	3.3
194.10831	2.0
195.08070	2.0
195.11714	5.0
195.13583	1.0
197.09622	3.9
197.13274	3.1
199.07591	1.3
199.11266	4.1
199.14807	1.6
200.10732	2.6
201.09138	3.0
201.12791	2.3
203.08932	1.1
203.10690	3.6
203.14232	1.2
205.10112	2.0
205.12175	1.9
206.10904	2.2
207.11717	4.5
208.12527	1.0
209.09615	4.0
209.13234	2.5
211.11194	2.1
211.14796	1.8
213.12817	1.9
216.09351	1.2
217.10234	1.7
219.11671	2.7
221.09674	1.9
221.13263	3.5
223.11189	2.5
223.14828	2.5
225.09129	2.8
225.12679	1.4
227.10703	4.0
227.14261	2.2
229.10178	1.2
229.12262	1.9
230.10884	1.7
231.11679	2.6
231.13840	3.2
232.08861	1.0
232.12433	1.4
233.09674	1.8
233.13177	2.1
233.16483	18.9
234.10303	1.0
235.11119	2.1
236.11899	1.2
237.09094	1.0
237.12700	2.1
239.10645	1.8
239.14362	1.9
240.11206	1.1
241.12254	1.5
242.11125	1.0
245.13194	2.7
245.15404	1.7
247.11131	3.6
247.14951	1.9
248.11938	0.9
249.12677	2.7
249.14894	2.7
251.10706	3.5
251.14439	2.0
253.12262	2.5
256.12549	1.2
259.11407	1.3
259.14774	1.1
261.12729	1.5
263.14383	1.9
264.11551	1.8
265.12238	3.3
265.15265	0.9
266.12967	2.4
267.13800	3.9
269.17780	0.9
273.12698	3.5
275.14258	3.4
277.12219	2.8
277.15894	1.2
279.13724	4.2
279.17072	1.5
280.14499	1.7
281.12033	1.3
289.15762	1.9
291.13751	3.8
291.17081	1.5
293.15326	4.3
297.11163	1.5
305.15402	1.3
307.17078	5.1
309.18427	9.2
315.13898	1.4
315.17410	1.0
317.15265	1.9
323.20023	2.0
325.17743	1.1
333.14722	3.2
333.18466	6.3
334.61337	1.1
335.16364	5.3
337.14401	1.2
347.20059	1.4
349.21555	2.1
350.15170	1.7
351.15848	2.2
351.19431	2.2
353.13083	0.9
353.17480	23.7
365.21252	2.0
367.22620	3.2
368.16226	2.3
375.19440	3.6
393.20544	25.8
393.25900	1.2
394.20764	1.5
411.21585	33.7
411.27664	7.7
412.21851	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
53.03947	0.8
55.01873	2.6
55.05510	3.6
57.03418	0.9
57.07061	0.6
59.05003	4.8
64.53512	0.4
65.03921	1.1
67.05501	5.7
69.03434	2.9
69.07065	2.6
69.71535	0.7
69.71951	1.8
71.01333	0.8
71.04968	0.6
77.03894	0.6
79.05492	13.8
81.03416	4.5
81.06599	0.5
81.07054	7.0
83.04963	1.0
83.08601	1.2
85.02895	1.0
85.06532	0.7
87.04417	0.6
87.85404	0.4
91.05480	10.2
93.06493	0.4
93.07047	6.4
95.01328	26.9
95.04969	8.1
95.08627	2.9
96.06812	0.4
97.02853	1.1
97.06507	1.4
97.10154	1.2
103.05464	5.7
105.02728	0.8
105.03393	11.5
105.07028	44.9
106.07355	0.8
107.04935	1.9
107.08588	5.7
109.06519	4.7
109.10155	3.4
111.00774	0.6
111.04430	1.0
111.08067	0.8
115.05407	2.1
116.06256	1.0
117.07026	4.2
119.04878	0.8
119.08572	14.0
120.04464	0.8
121.06504	3.1
121.10146	3.3
123.04441	0.7
123.08051	1.5
123.11717	0.6
125.05972	0.4
125.09639	0.8
128.06216	3.8
129.07013	6.3
130.07738	1.2
131.04875	0.4
131.08571	9.7
132.05693	0.6
133.06490	32.8
133.10135	7.2
134.06000	1.4
134.06883	0.6
135.04442	0.4
135.08060	1.9
135.11668	2.2
137.05969	1.5
137.09605	0.6
137.13226	0.4
141.06981	3.0
142.07768	4.2
143.08562	17.9
144.09157	0.8
145.06477	3.5
145.10118	11.5
147.04451	0.7
147.08052	5.7
147.11690	6.7
149.05986	1.8
149.09613	1.3
149.13228	1.5
151.03844	0.7
151.07501	0.7
153.06981	1.2
154.07777	1.0
155.08554	6.7
156.09361	3.6
157.06436	1.1
157.10127	9.2
159.08055	3.2
159.11685	4.6
161.05977	100.0
161.09547	3.8
161.13252	6.6
162.06360	2.0
162.09145	13.0
163.07521	1.5
165.05774	0.5
165.06969	2.7
165.09146	0.7
166.07755	1.8
167.08600	4.1
168.09308	1.5
169.06429	1.0
169.08704	0.7
169.10118	8.5
170.07298	0.5
170.10898	1.2
171.08054	4.3
171.11684	9.1
173.05916	1.2
173.09608	2.4
173.13219	2.9
175.03918	0.8
175.07549	13.6
175.11183	1.1
175.14787	0.5
177.09151	1.3
177.12636	0.6
178.07794	1.0
179.08568	2.5
179.10747	0.8
180.09248	1.2
181.06525	0.8
181.08643	0.8
181.10115	5.6
182.07323	0.4
182.10950	1.1
183.08054	1.7
183.11671	6.6
184.08783	0.5
185.06012	0.9
185.09622	6.2
185.13232	7.7
187.07549	5.4
187.11154	2.3
187.14861	1.3
189.05467	0.6
189.07471	0.6
189.09013	2.7
189.12740	2.8
190.07713	0.7
191.08577	0.9
191.10703	1.1
192.09355	1.9
193.10150	4.0
194.10896	1.2
195.08025	2.2
195.11690	3.4
196.12447	0.6
197.09656	3.1
197.13249	2.7
199.07526	1.0
199.11296	2.5
199.13245	1.0
199.14861	1.9
201.09108	2.6
201.12631	2.0
203.08586	1.5
203.10680	3.1
203.14301	0.5
204.09360	1.2
205.04886	0.5
205.06715	0.5
205.10120	2.2
205.12225	1.1
205.15878	1.0
206.07462	0.5
206.10942	2.2
207.08107	0.8
207.11748	3.6
208.08887	0.5
208.12456	0.9
209.09645	3.7
209.13200	3.0
210.10265	0.6
211.07620	2.6
211.11220	3.5
211.14865	1.1
212.08151	0.5
213.09099	1.7
213.12749	1.7
213.16454	0.8
215.08632	1.1
215.10756	1.3
216.09367	1.5
217.10150	1.9
217.12076	0.6
218.10938	1.2
219.08122	1.1
219.11716	3.2
219.13811	0.9
220.08992	0.6
221.09656	1.5
221.13206	2.6
222.10352	1.0
223.11191	2.9
223.14868	1.8
225.09123	2.6
225.12662	2.1
227.10645	5.7
227.14336	1.6
229.10167	1.2
229.12288	2.6
230.10905	1.7
231.11687	2.2
231.13853	3.3
232.08818	1.0
232.12401	1.0
233.09686	1.7
233.13284	1.8
233.16489	8.3
234.10390	1.3
235.07610	0.7
235.11168	2.9
235.14885	1.4
236.11955	0.8
237.09056	1.1
237.12717	1.8
237.16414	0.9
238.09833	1.1
239.10669	1.3
239.14377	1.7
241.12234	1.4
241.15852	0.8
243.13951	0.8
244.12505	0.6
245.13214	1.0
245.15457	1.4
246.10449	0.8
246.13983	0.5
247.11244	2.8
247.14880	1.6
248.11823	0.8
249.12697	2.6
249.14946	3.5
250.09836	0.8
251.10704	4.4
251.14323	1.5
251.17972	0.7
252.11102	0.6
253.12288	2.6
253.16138	0.5
255.11613	0.9
255.13983	0.9
257.09619	0.7
257.13181	0.9
257.15573	0.8
258.10397	1.0
259.11176	1.5
259.14917	0.9
260.11981	1.0
261.12775	1.7
263.10684	1.0
263.14355	2.1
264.11450	1.7
265.12143	3.7
265.16153	0.6
266.13010	2.5
267.10461	0.5
267.11035	0.5
267.13812	3.4
269.15372	1.8
269.17816	0.7
272.11954	0.6
273.12711	3.6
275.14316	2.8
276.11346	0.5
277.12314	1.8
279.13794	4.2
279.17499	1.6
280.14630	2.2
281.15417	0.8
286.13312	0.6
287.13968	2.0
289.12628	0.5
289.15915	1.8
290.13095	0.5
291.13834	3.6
291.17444	1.2
293.12073	0.9
293.15405	3.3
295.16806	0.5
297.11325	1.0
299.05515	0.7
301.11945	0.5
305.15475	1.1
305.19037	0.9
306.15921	0.7
307.16904	4.3
309.14966	0.8
309.18469	8.8
315.13748	1.7
315.17480	1.4
317.15454	1.1
319.16956	0.6
323.12772	1.2
323.20111	1.9
324.13516	1.6
325.17752	0.4
329.18784	0.8
333.14853	3.1
333.18561	6.8
334.19040	0.7
335.12720	0.9
335.16422	4.7
337.14349	0.6
339.23285	0.6
342.14789	1.4
347.20102	1.5
349.21680	1.4
350.15256	0.9
351.15936	4.1
351.19730	2.0
353.17474	24.7
354.17865	0.7
355.15399	0.7
357.18607	0.7
365.21228	1.7
367.22672	4.7
368.15924	2.0
369.16934	0.7
375.19479	3.5
383.22336	0.6
393.20587	29.9
394.21118	1.3
407.97891	0.5
411.21750	32.3
411.27655	4.8
411.36520	1.0
412.22015	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	7.3
56.05035	7.9
57.03419	6.0
60.04517	7.1
60.05664	5.1
67.05492	15.1
68.05045	5.2
69.03434	29.2
69.07066	10.2
69.85596	26.6
70.06594	100.0
71.05005	29.4
72.08155	33.2
79.05453	6.4
79.46748	4.7
81.03409	15.9
81.07050	6.4
84.04498	14.4
84.08132	30.9
85.02902	29.6
85.06530	8.7
86.06087	5.6
86.09705	29.9
87.00848	7.4
87.04460	5.4
91.05484	10.8
93.07043	7.8
95.04951	11.5
95.08633	7.0
97.02887	13.8
97.06538	6.8
99.04449	13.6
100.07614	5.4
105.01836	11.6
105.03380	9.1
105.07038	10.3
107.04933	6.2
107.08598	6.7
109.02899	7.4
109.06503	7.6
109.10156	14.2
110.07161	17.0
111.08076	5.7
114.05538	32.1
116.07071	19.8
119.04930	4.9
120.04451	6.1
120.08108	12.0
121.02890	7.2
121.35020	4.4
127.03908	21.0
127.11193	72.8
128.07095	10.2
129.10252	12.7
130.04964	8.7
136.07552	11.9
138.05486	5.0
145.12219	23.0
146.05995	6.0
147.04405	12.7
149.05949	5.3
157.06313	5.7
159.03047	4.9
162.05458	39.2
162.09074	8.1
163.03865	11.5
163.05846	30.7
163.08716	10.4
164.07095	6.0
169.13126	4.8
174.07631	18.1
188.07069	14.3
205.06865	6.8
213.12363	27.4
213.30496	5.2
232.09691	15.4
250.07100	16.2
250.10760	34.4
346.14340	5.1
393.12939	7.1
411.12302	5.5
412.16092	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	411.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.9
55.01895	4.4
55.05493	18.4
56.05012	9.8
57.03439	6.2
60.04526	4.5
67.05485	14.2
68.05013	10.7
69.03430	33.7
69.07059	7.5
70.06597	78.3
71.04993	33.9
71.53011	6.0
72.08152	34.4
74.06068	6.2
79.05486	7.5
80.28638	4.3
81.03404	27.6
81.07035	13.8
83.04970	10.2
84.04493	19.2
84.08134	32.6
85.02902	42.3
85.06497	9.5
86.06074	6.9
86.09695	21.1
87.00828	6.9
88.03979	7.6
91.05475	13.3
93.07006	7.2
95.04953	11.7
95.08617	7.2
97.02880	16.3
97.06522	7.9
99.04457	11.6
105.01829	6.7
105.03403	11.7
105.07048	7.7
107.04963	6.6
107.08572	8.9
108.04433	4.4
108.08146	4.7
109.02859	18.5
109.06486	10.8
109.10130	16.8
109.92019	4.7
110.07168	10.9
112.08749	4.5
114.05540	40.0
115.03963	4.5
116.07076	13.1
119.04919	9.0
119.08560	5.7
120.08102	8.9
121.02879	7.1
121.06509	8.2
122.06016	7.1
125.09602	5.5
127.03903	33.2
127.07520	5.5
127.11188	100.0
128.07095	12.7
129.10219	9.5
130.05049	5.2
133.10207	4.7
134.06046	7.1
135.04449	11.6
136.07536	7.2
145.04941	6.8
145.10114	8.2
145.12224	12.7
146.06035	6.6
147.04384	16.2
161.05991	4.8
162.05516	52.5
162.09113	10.2
163.03874	15.1
163.05905	35.7
163.08673	14.0
163.13353	7.9
164.07112	7.5
165.05421	6.8
174.07613	19.2
177.05429	5.9
186.05905	7.1
188.07085	18.3
195.13728	4.8
199.95500	4.6
204.06566	7.6
205.06972	8.8
213.12346	15.2
214.04959	4.9
214.08954	4.9
232.06181	5.0
232.09683	21.1
239.64464	4.9
248.05487	6.1
249.05869	6.0
250.07047	15.5
250.10657	37.9
252.37239	5.0
269.09250	4.6
393.12421	8.7
405.74893	5.7
411.12582	14.7
411.21439	9.7
411.36053	5.3
412.16013	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	411.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
55.01854	7.4
55.05505	5.1
56.84443	1.9
57.03440	16.2
57.07080	13.1
58.06588	2.0
59.04988	4.0
61.02914	7.2
67.05518	9.4
69.03086	3.4
69.03433	52.2
69.07053	7.6
70.06597	15.5
71.04990	9.3
71.51733	2.8
71.52116	3.4
72.08144	8.1
72.94624	1.9
73.02911	3.9
79.05485	5.6
81.02988	3.6
81.03421	45.7
81.07051	8.3
83.04967	4.9
83.08613	2.9
84.04505	2.9
84.08141	9.9
85.02907	91.2
85.06551	21.0
86.09700	12.5
87.00303	3.3
87.00830	41.3
87.04415	2.3
89.54821	2.0
91.05469	7.6
93.07039	5.9
95.04984	13.5
95.08603	8.9
97.02894	20.3
97.06527	2.1
99.04459	16.3
99.08082	3.2
101.02398	2.7
101.05988	4.0
103.05477	2.6
103.06886	3.4
103.07581	67.1
105.01868	44.6
105.03386	8.0
105.06998	6.0
107.04955	5.4
107.08584	7.6
109.02884	40.8
109.06504	3.0
109.10133	4.6
110.07174	2.2
111.04493	3.6
113.05983	5.5
117.01881	2.0
119.04910	3.4
119.08566	5.0
120.08089	4.4
121.10136	5.3
123.04463	3.1
127.03917	100.0
127.07541	19.9
128.04227	2.9
128.07079	3.3
129.10248	2.4
131.07014	6.4
131.08594	3.5
133.10130	4.4
135.04457	2.4
136.07568	2.1
145.04984	13.1
145.08598	8.8
145.12196	2.0
147.04433	4.2
147.08080	2.9
151.03931	2.2
151.07570	2.8
151.11192	3.1
159.02856	5.3
162.05531	21.3
163.03879	11.4
163.05846	17.9
163.09702	19.9
163.11015	2.9
164.07126	2.5
170.11824	3.6
171.08121	1.9
173.08075	13.0
173.09363	1.9
187.05989	9.9
187.14447	4.4
189.03899	2.4
189.05455	3.4
189.09120	7.8
189.12752	2.3
191.14369	2.5
207.10228	3.1
207.13831	4.3
213.18549	2.4
229.10590	2.5
231.05006	19.6
231.10187	7.1
238.04541	2.2
249.11293	4.3
253.10608	3.0
279.07306	2.3
333.09750	3.2
347.13440	3.0
351.10571	2.7
357.11786	2.6
375.12576	6.1
388.19922	2.5
393.12668	2.3
411.12424	39.5
411.19873	8.2
411.28256	5.9
411.35843	3.5
412.12888	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	411.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
55.01854	7.4
55.05505	5.1
56.84443	1.9
57.03440	16.2
57.07080	13.1
58.06588	2.0
59.04988	4.0
61.02914	7.2
67.05518	9.4
69.03086	3.4
69.03433	52.2
69.07053	7.6
70.06597	15.5
71.04990	9.3
71.51733	2.8
71.52116	3.4
72.08144	8.1
72.94624	1.9
73.02911	3.9
79.05485	5.6
81.02988	3.6
81.03421	45.7
81.07051	8.3
83.04967	4.9
83.08613	2.9
84.04505	2.9
84.08141	9.9
85.02907	91.2
85.06551	21.0
86.09700	12.5
87.00303	3.3
87.00830	41.3
87.04415	2.3
89.54821	2.0
91.05469	7.6
93.07039	5.9
95.04984	13.5
95.08603	8.9
97.02894	20.3
97.06527	2.1
99.04459	16.3
99.08082	3.2
101.02398	2.7
101.05988	4.0
103.05477	2.6
103.06886	3.4
103.07581	67.1
105.01868	44.6
105.03386	8.0
105.06998	6.0
107.04955	5.4
107.08584	7.6
109.02884	40.8
109.06504	3.0
109.10133	4.6
110.07174	2.2
111.04493	3.6
113.05983	5.5
117.01881	2.0
119.04910	3.4
119.08566	5.0
120.08089	4.4
121.10136	5.3
123.04463	3.1
127.03917	100.0
127.07541	19.9
128.04227	2.9
128.07079	3.3
129.10248	2.4
131.07014	6.4
131.08594	3.5
133.10130	4.4
135.04457	2.4
136.07568	2.1
145.04984	13.1
145.08598	8.8
145.12196	2.0
147.04433	4.2
147.08080	2.9
151.03931	2.2
151.07570	2.8
151.11192	3.1
159.02856	5.3
162.05531	21.3
163.03879	11.4
163.05846	17.9
163.09702	19.9
163.11015	2.9
164.07126	2.5
170.11824	3.6
171.08121	1.9
173.08075	13.0
173.09363	1.9
187.05989	9.9
187.14447	4.4
189.03899	2.4
189.05455	3.4
189.09120	7.8
189.12752	2.3
191.14369	2.5
207.10228	3.1
207.13831	4.3
213.18549	2.4
229.10590	2.5
231.05006	19.6
231.10187	7.1
238.04541	2.2
249.11293	4.3
253.10608	3.0
279.07306	2.3
333.09750	3.2
347.13440	3.0
351.10571	2.7
357.11786	2.6
375.12576	6.1
388.19922	2.5
393.12668	2.3
411.12424	39.5
411.19873	8.2
411.28256	5.9
411.35843	3.5
412.12888	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	410.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.9
57.07111	2.8
61.59368	3.2
64.86262	3.1
67.05503	13.4
69.07075	6.3
69.70741	7.9
69.71152	9.0
70.86341	2.7
79.05482	9.1
81.07057	15.5
85.06564	5.8
91.05481	5.7
93.07027	10.4
95.08610	16.2
96.08923	5.4
97.10155	3.4
105.03391	36.5
105.07024	10.2
106.07385	5.7
107.08590	13.0
109.10173	11.7
119.08583	12.9
120.08918	4.3
121.10155	7.9
123.11692	5.3
131.08559	6.1
133.10162	7.9
134.10475	3.5
135.11702	6.4
136.12068	4.0
143.08574	3.2
145.10088	6.4
147.11722	8.0
149.13234	5.7
157.10204	4.2
159.11745	4.7
161.05984	4.3
161.13252	7.9
162.09166	34.8
162.13635	6.5
171.08148	3.0
174.13510	3.0
175.14871	4.0
176.15231	2.9
182.63306	3.0
183.11719	3.6
185.09627	6.9
189.09082	3.5
201.09073	5.3
201.16377	4.5
202.16751	3.7
204.18304	3.8
213.09132	23.1
227.14250	4.7
233.16481	24.3
237.12794	9.2
240.11336	4.8
255.11000	5.5
255.13803	99.2
269.15387	5.4
273.14886	15.6
297.14828	28.9
315.15884	11.1
329.17474	100.0
330.18018	7.8
332.13782	3.3
379.10861	3.1
392.34024	3.5
410.20486	7.8
410.26053	6.0
410.35083	11.2
411.21725	3.9
411.27371	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	410.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97585	0.3
55.01861	0.3
55.05503	0.7
57.03415	0.4
60.04517	0.4
61.24363	0.3
67.05482	0.3
67.68047	0.3
69.03415	1.0
69.07067	4.1
69.73038	1.3
69.73460	0.5
70.06586	1.3
72.08128	0.4
76.06847	0.3
79.05495	2.1
79.93427	0.3
81.03407	0.6
81.07056	2.0
82.06580	8.7
82.07313	0.4
83.04975	0.7
84.04505	0.5
84.08133	1.0
85.02894	1.3
85.06548	0.4
86.09673	0.8
87.00842	0.3
91.05481	1.4
91.81873	0.3
93.07034	2.4
95.04955	0.5
95.08596	0.3
97.02885	1.1
97.06507	1.1
99.04480	0.5
100.07602	2.1
105.01900	0.4
105.03358	1.5
105.07023	0.3
107.04929	0.4
107.08596	0.6
109.02892	0.5
109.10156	0.5
111.11729	1.7
115.03931	1.3
119.08527	0.3
120.08178	0.4
121.06496	2.2
121.08311	0.3
121.10147	0.6
125.02408	0.4
125.05978	1.0
125.09631	0.6
126.05480	1.6
127.03927	0.8
128.07074	100.0
129.07408	1.2
138.88107	0.4
142.08627	13.3
144.10213	0.6
145.04938	0.3
149.05974	1.5
161.04449	1.4
162.05513	0.4
162.09140	1.8
162.11279	0.7
163.03917	0.9
188.09178	74.2
189.09480	1.1
207.06512	0.4
219.05009	0.4
233.16463	0.9
247.04588	0.5
265.05478	0.4
310.38348	0.3
332.09808	0.3
347.13663	0.4
365.14526	0.4
404.10757	0.3
410.21750	16.2
411.21823	0.5
411.27493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01838	0.4
55.05497	2.6
57.03417	0.3
67.05508	0.4
68.99774	0.4
69.03409	0.9
69.07060	0.5
69.65044	1.0
69.65471	0.9
70.06571	0.8
70.46510	0.3
72.08147	0.4
79.05078	0.3
79.05495	3.2
81.03431	1.7
81.07056	4.0
82.06577	12.2
83.04959	0.8
84.04543	0.5
84.08131	0.7
85.02876	0.8
86.09704	0.4
91.05482	1.6
93.07049	3.0
95.04952	0.8
95.08606	0.5
96.08142	2.1
97.02869	0.6
97.06509	1.6
99.04453	0.4
100.07589	0.8
105.03384	1.7
105.07035	0.5
107.04958	0.9
107.08541	0.3
109.02880	0.4
109.10129	1.0
110.02441	0.2
111.08115	0.3
118.06515	0.3
119.69132	0.3
121.02843	0.4
121.06506	3.5
121.10139	0.9
123.08109	0.5
124.07586	9.6
125.06003	1.3
125.09635	0.3
127.03897	0.7
127.11201	2.2
128.07076	60.3
129.07455	0.4
135.08154	0.3
137.09642	0.6
142.08630	36.1
144.10191	0.4
145.12314	0.4
147.09174	0.4
149.05977	2.5
155.07222	0.3
162.05487	2.0
162.09140	1.0
163.03931	1.8
167.03558	0.3
170.08165	0.5
188.09180	100.0
189.09494	1.6
191.08189	2.7
205.12244	0.3
206.09108	0.4
207.06566	0.3
231.10219	0.4
233.16620	0.9
248.09274	0.9
297.09061	0.3
307.12939	0.4
319.03952	0.3
323.07465	0.6
324.07645	1.3
325.13989	0.4
366.11508	0.6
375.12106	0.4
393.12866	0.5
410.11032	2.6
410.21890	19.4
411.21909	0.6
416.55164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
55.01862	2.7
55.05507	1.6
56.05023	1.0
57.03420	2.3
57.07063	2.5
61.02915	1.7
67.05499	2.1
68.99801	0.7
69.03433	9.7
69.07072	3.8
70.06592	17.4
70.65539	1.8
70.65850	0.7
71.04987	9.9
71.06931	1.1
72.08144	1.8
73.02908	2.1
73.06554	1.7
73.17085	0.8
79.05487	2.0
81.03420	8.4
81.07042	1.0
83.08621	1.3
84.04505	3.7
84.08154	4.8
85.02904	19.3
86.09708	27.5
86.81136	0.7
87.00832	8.3
87.10037	1.1
91.05482	3.8
93.07031	1.9
95.04973	1.7
95.08612	1.3
97.01093	0.7
97.02898	9.9
97.06503	1.2
98.89558	0.8
99.04470	4.5
102.03735	1.1
105.01853	7.6
105.03401	4.6
105.07014	2.8
107.04939	1.6
107.08585	1.5
109.02884	7.5
109.06518	0.8
109.10144	3.8
110.06004	0.9
111.04396	0.8
117.01828	0.9
117.07006	1.3
119.04943	2.0
119.08541	1.8
120.04475	0.8
120.08128	4.7
120.08836	0.8
121.06554	0.7
123.08057	0.9
124.48216	0.7
126.05597	0.9
127.03914	14.4
127.10299	1.5
127.11196	20.3
128.05304	3.6
129.10228	2.1
130.08598	1.6
131.08533	1.4
133.06503	1.0
134.06006	3.9
135.08116	1.0
136.07605	1.1
137.05983	1.1
144.04466	1.8
144.10164	1.0
145.04979	6.4
145.06323	1.0
145.12233	100.0
146.12576	2.3
147.04434	3.4
147.08049	1.1
147.11320	1.7
159.02899	3.3
162.05417	1.4
162.09140	3.8
173.08397	1.1
175.03947	4.8
176.06996	0.8
183.11507	1.0
188.09192	1.8
189.09187	1.5
189.12582	0.8
201.12376	2.7
204.06554	2.2
207.06573	6.7
207.10123	1.0
217.13472	1.2
218.08177	3.2
220.09738	2.2
229.11900	2.0
231.04955	2.2
231.07901	4.1
248.09468	1.3
265.61127	0.8
374.22980	0.9
391.23419	2.3
410.13095	1.8
410.14078	1.3
410.18900	2.3
410.25391	1.5
411.19348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78009	1.1
52.88679	1.0
53.03942	2.1
53.19478	1.0
55.01876	1.9
55.05507	3.5
57.00417	1.0
57.03421	2.0
60.04534	2.1
67.05504	8.3
69.03429	10.6
69.07072	25.6
69.85763	6.1
70.06575	4.0
70.94399	1.1
71.04980	1.8
72.08131	2.0
73.02918	2.1
79.05511	2.3
81.03426	6.0
81.07047	4.5
82.06579	8.7
83.04987	1.3
83.08632	1.4
84.08130	4.3
85.02524	1.2
85.02915	13.2
85.06540	2.9
86.09686	1.8
87.00827	6.3
91.05463	1.3
93.07037	3.9
95.04974	2.3
95.06123	1.2
95.08584	1.4
97.02901	10.0
97.06508	1.4
98.09736	1.0
98.20855	2.0
99.04461	3.7
100.07618	1.8
105.01865	5.9
105.03383	7.0
105.06999	1.3
109.02857	3.8
109.09462	1.8
109.10160	19.9
111.11723	8.7
115.03930	9.7
119.08550	1.0
120.08121	1.2
121.06519	2.5
121.10143	1.2
123.04510	1.5
125.02341	1.5
125.09626	9.8
126.05502	5.0
127.03922	10.4
127.11174	6.0
128.07086	93.1
129.01826	1.5
132.98021	1.2
133.07581	1.0
135.08029	1.4
135.11682	1.1
136.07558	1.1
141.02921	1.0
142.07576	2.1
142.08626	24.9
144.10207	3.2
145.04950	4.3
145.06055	0.9
149.05992	2.6
154.85205	1.2
157.10590	1.0
159.02919	2.6
161.04453	7.2
162.05466	2.4
162.09145	7.6
162.11263	4.4
163.03868	1.6
167.10583	1.1
177.27983	1.1
188.09183	100.0
189.09447	4.0
190.04965	1.3
211.13219	3.2
217.12238	1.6
217.20522	1.1
219.04938	2.1
231.05080	1.3
231.10219	1.5
233.16518	6.2
247.04616	1.8
265.05502	2.4
280.05850	1.4
375.16428	1.9
410.17007	1.8
410.21817	24.8
411.27493	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
53.14850	0.1
55.01868	0.3
57.03430	0.3
60.04512	0.5
61.02901	0.3
67.05503	0.2
67.80085	0.1
68.99791	0.2
69.03430	2.4
69.07055	0.2
69.34222	0.1
70.06593	0.9
70.71532	0.3
70.71911	0.2
71.04977	0.2
72.08152	0.4
73.02903	0.4
74.06065	0.5
74.21697	0.1
76.13168	0.2
79.05512	0.3
81.03411	2.4
81.07039	0.2
83.01308	0.2
84.04488	0.4
84.08132	0.6
85.02900	3.0
86.09701	0.3
87.00819	1.1
91.05460	0.2
93.07054	0.2
95.04956	0.4
97.02892	1.3
99.04462	0.5
100.02183	0.3
105.01863	0.6
105.03393	0.6
106.06558	0.3
109.02879	2.2
115.03947	0.2
116.07069	0.2
117.01852	0.2
120.04451	0.2
120.08122	0.4
121.02868	0.2
127.03912	2.5
127.07596	0.3
128.07095	0.4
128.10684	0.2
130.08710	0.2
134.06064	0.9
136.07561	0.4
145.04938	0.8
147.04404	0.6
148.04781	0.2
159.02901	0.8
162.05499	100.0
163.05836	1.5
186.09077	0.2
188.09187	0.2
214.08640	0.3
230.08170	0.3
231.05112	0.5
248.05551	0.6
248.09161	0.4
366.11749	0.2
392.22455	0.2
410.10760	6.1
411.11591	0.2
433.09473	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
56.05037	8.7
57.03421	6.0
58.06552	3.4
60.04509	12.8
69.03423	10.2
69.99683	8.0
70.00088	17.9
70.06577	26.7
71.04990	4.9
71.28497	3.7
72.08141	8.9
73.02913	8.9
74.06083	100.0
76.65055	4.4
81.03391	11.2
81.07057	4.4
84.04498	7.7
84.08134	11.3
85.02898	12.4
85.08494	4.6
86.06055	5.9
86.09709	9.6
87.00842	4.1
88.22868	3.8
91.05473	6.7
95.04949	8.2
97.02889	8.2
98.06039	10.5
99.04437	4.6
102.05512	9.4
105.03400	28.7
108.88957	4.3
109.02901	7.1
116.07082	50.2
120.06566	17.9
120.08098	9.6
127.03883	9.8
129.10178	6.6
136.07587	15.6
144.06561	59.2
145.04974	7.2
145.08604	5.8
147.04425	7.0
154.04990	8.8
162.05502	62.1
162.07622	13.4
162.11235	5.0
163.89920	4.7
166.07277	6.5
212.56526	4.6
212.98409	3.9
214.08643	7.5
222.01588	4.1
230.08124	4.8
248.05505	7.2
270.09641	12.1
288.10907	5.3
410.17480	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	410.108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82429	0.2
55.01859	0.2
69.03437	0.3
69.58659	1.1
70.06583	0.6
72.08171	0.3
81.03407	0.4
81.64675	0.2
84.08138	0.7
85.02901	0.7
86.09699	0.5
92.95514	0.2
93.88641	0.2
97.02861	0.2
109.02901	0.2
110.07193	0.2
116.04966	0.7
120.04456	0.9
126.09897	0.2
127.03950	0.4
127.07519	0.2
127.12318	0.3
129.10262	0.3
135.45746	0.2
162.05502	100.0
163.05849	2.4
170.11646	0.3
181.68263	0.2
187.14447	0.5
188.14792	0.3
248.09271	0.3
326.07440	0.8
410.09546	0.2
410.27509	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3828
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05510	12.8
57.07073	8.4
66.56251	2.1
67.05502	29.7
69.07066	25.9
69.70267	11.0
69.70684	4.3
71.08632	2.3
79.05497	15.1
81.07054	86.0
83.08627	11.2
91.05473	8.0
93.07043	24.0
93.84988	2.5
95.08607	100.0
97.10151	4.7
98.20768	4.5
105.07033	16.3
105.38302	2.1
107.08586	32.2
109.10156	58.4
111.11715	5.4
119.08575	20.5
121.10139	28.9
123.08035	4.6
123.11710	23.2
131.08559	3.4
133.10120	12.2
135.11668	18.4
137.13255	28.3
145.10117	4.4
147.11685	16.4
149.13245	15.4
150.06744	2.5
151.07535	37.5
151.14853	2.8
159.11670	2.8
161.13251	10.5
163.14799	13.7
165.09122	4.7
173.13338	3.1
175.14836	6.2
177.16388	6.4
179.18019	3.1
187.11156	3.3
187.14793	4.7
189.09055	11.6
189.16377	6.8
191.10635	9.3
191.17906	10.9
201.09068	3.0
203.10672	64.1
203.17982	11.2
205.12245	4.2
205.19534	5.1
215.17999	5.1
217.12234	6.2
217.19460	8.0
219.21097	4.2
229.12044	3.3
229.19481	18.5
231.13831	4.2
231.21164	5.1
243.13728	3.0
254.99744	2.2
257.22650	4.8
259.24237	4.1
271.24164	5.9
409.31009	37.3
409.38217	44.8
410.31351	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	409.3827
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05509	5.4
57.07073	7.1
67.05181	1.4
67.05502	18.0
69.07060	14.5
69.88760	5.2
79.05494	6.1
81.07054	68.5
83.08602	6.4
91.05467	4.4
93.07044	13.5
95.04953	1.7
95.08605	100.0
96.08930	1.7
97.10148	3.4
105.07011	8.1
107.08585	22.6
109.10150	31.5
111.11719	2.0
119.08578	10.5
121.10146	17.1
123.11702	20.5
125.13257	1.6
131.08530	3.3
133.10110	9.1
135.11694	17.7
137.13252	61.9
145.10118	4.5
147.11665	8.8
149.13245	12.5
151.14804	3.2
159.11702	4.2
161.13258	6.9
163.14819	6.9
165.16467	1.4
173.13257	4.0
173.59579	0.9
175.14856	7.0
177.16342	4.7
179.17972	1.2
182.80255	0.9
184.06210	0.8
187.14830	2.5
189.16359	5.5
191.17921	4.6
193.19547	2.0
201.16348	3.4
203.17961	6.3
205.19499	2.6
213.16423	1.1
215.17964	6.4
217.19522	4.2
229.19563	6.9
231.21083	4.1
243.21072	1.3
245.22699	1.9
257.22690	7.0
259.24335	6.3
271.24249	7.7
285.25769	1.7
404.09564	1.2
409.38446	24.3
410.38977	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48152	2.4
55.05520	18.3
57.07086	12.4
67.05506	28.4
69.06727	4.4
69.07072	52.1
71.28681	4.6
79.05497	13.7
81.07059	87.4
83.08618	20.7
91.05505	6.6
93.07047	32.9
95.08607	80.9
97.10172	11.7
105.07027	19.2
107.08592	38.8
109.10159	54.2
111.11702	6.1
119.08593	28.3
121.10147	39.8
123.11711	30.0
129.35110	2.4
131.08586	6.7
133.10138	28.8
135.11684	30.0
137.13245	24.6
145.10135	15.8
146.74678	2.2
147.11681	20.0
149.13252	21.1
151.14857	4.9
157.10156	3.6
159.11707	16.0
161.13240	16.5
163.14769	12.5
173.13304	11.9
175.14864	9.7
177.16368	11.9
185.13315	4.4
187.14862	9.4
189.16420	9.4
191.18016	7.6
199.14850	3.1
201.09087	2.6
201.16420	10.7
203.17975	11.1
205.19502	3.9
207.80919	2.6
213.16350	5.8
215.17970	10.9
217.19557	7.1
229.19543	7.7
231.21075	11.8
241.19566	3.2
243.06120	2.9
243.21019	4.7
245.22678	3.1
257.22714	7.8
259.24158	7.3
271.24121	14.2
285.25760	8.0
325.28711	4.3
327.30539	5.3
353.32126	3.4
409.38330	100.0
410.38812	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	409.3825
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05510	18.2
57.07070	10.4
65.03957	1.7
67.05135	1.3
67.05500	33.6
69.07066	54.5
70.33341	3.7
71.08624	3.4
79.05489	12.6
81.07052	92.6
82.07407	1.3
83.08616	16.7
83.49577	1.1
85.10168	1.3
87.88366	1.0
90.65545	0.9
91.05461	9.4
93.06474	2.3
93.07039	28.9
95.08602	100.0
96.08917	1.8
97.10166	6.1
105.07024	21.9
107.08595	41.0
109.10154	50.7
111.11722	7.1
117.07084	1.4
117.92070	1.0
119.08576	26.7
121.10145	34.5
123.11700	31.6
125.13267	3.5
131.08595	6.7
133.10126	19.7
135.11684	24.0
137.13249	30.0
143.08528	1.5
145.10127	11.1
147.11688	16.8
149.13252	19.7
151.14799	5.4
157.10120	3.3
159.11699	13.7
161.13258	18.7
161.55911	1.1
163.14825	9.4
165.16383	1.8
171.11697	2.5
173.13263	11.0
175.14833	8.8
177.16353	11.7
179.17844	1.4
185.13315	2.1
187.14815	9.2
189.16354	8.7
191.17946	9.1
201.16415	6.8
203.17953	10.3
205.19571	2.8
213.16333	4.1
215.17984	9.1
217.19505	6.7
219.21022	1.4
227.17857	1.2
228.18736	1.4
229.19516	14.0
231.21078	15.1
243.21135	3.4
245.22702	4.4
257.22589	7.4
259.24191	10.5
271.24240	13.7
273.25729	1.9
285.25745	9.4
297.25977	1.5
299.27399	3.9
313.28983	3.9
325.28888	3.7
327.30478	4.5
339.30527	2.9
353.31927	3.1
367.33560	1.3
409.38281	92.6
410.38553	3.7
418.28284	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	21.2
57.07068	10.6
59.04993	3.2
66.13037	3.0
67.05508	36.8
69.03442	2.9
69.07063	29.8
70.03902	12.2
71.04987	4.4
77.03915	3.7
79.05494	26.3
81.07056	67.2
83.08622	9.4
85.06548	44.4
91.05487	31.0
93.07044	57.1
95.04971	28.3
95.08610	100.0
96.24562	2.8
97.06532	6.7
97.10167	9.4
98.14812	2.9
105.07035	90.6
107.05013	3.4
107.08602	66.7
109.06521	6.5
109.10155	57.0
109.23878	3.0
111.08100	5.2
113.09650	3.1
117.07030	9.9
119.08584	89.5
121.06509	8.9
121.10149	49.4
123.08066	12.2
123.11721	25.3
129.07016	7.6
130.07825	6.8
131.08575	23.8
133.10124	45.2
135.08067	4.4
135.11703	41.1
137.09573	7.1
137.13264	17.7
141.06978	3.9
142.07777	5.2
143.08594	14.1
144.09320	3.7
145.10120	55.4
147.08044	8.3
147.11693	51.2
148.11987	4.0
149.09540	6.6
149.13257	26.5
151.07549	9.0
155.08542	3.7
156.09322	7.4
157.10141	16.1
159.11711	30.8
161.13271	44.8
163.11232	3.9
163.14816	14.7
165.09146	11.5
169.10106	7.5
171.11763	15.5
172.12468	3.6
173.13284	21.0
175.11201	12.4
175.14815	15.5
177.12721	5.4
177.16432	9.9
181.10048	4.0
183.11656	5.3
185.13287	6.5
187.14796	30.2
189.16412	23.3
191.14404	6.1
191.17949	60.5
193.10301	4.9
193.15929	12.9
197.13275	5.1
199.14850	12.8
201.12733	3.4
201.16370	32.1
203.14328	15.1
203.17946	34.5
205.15948	9.8
205.19502	9.3
211.14816	7.3
213.16353	9.9
215.17937	7.0
217.15973	4.1
217.19498	23.5
219.13910	3.9
219.17496	11.5
221.15344	30.7
225.16341	3.3
227.18015	7.3
229.15904	6.4
229.19540	8.3
234.16159	3.3
239.18066	4.5
241.19608	4.8
253.19542	5.5
255.21169	7.3
267.21140	4.3
271.20901	3.5
271.24088	4.4
273.22256	4.0
281.22717	5.4
287.20160	3.7
321.25839	5.6
325.25061	3.3
391.33719	25.1
409.19095	4.5
409.27267	24.8
409.34674	99.2
410.35117	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.1
53.44044	1.6
55.01870	3.1
55.05513	21.3
57.07075	8.9
59.05003	3.6
65.03947	4.0
67.05505	23.7
68.06515	1.6
69.03419	8.4
69.07068	10.9
70.12483	4.2
70.12865	4.0
71.05005	1.7
79.05490	21.7
81.03419	2.2
81.06596	2.1
81.07061	34.7
83.04967	5.2
85.06550	5.8
88.80508	1.5
91.05486	32.9
93.07046	49.1
95.04369	3.8
95.04973	55.1
95.08609	37.3
97.06536	6.9
98.20916	2.3
103.05478	4.8
105.07034	100.0
106.07339	2.3
107.08597	29.6
109.06515	13.7
109.10155	14.7
111.08078	2.4
115.05468	2.7
117.07018	13.5
119.04959	2.2
119.08587	69.4
120.09325	1.8
121.06510	17.7
121.10144	13.2
123.08071	21.2
123.11714	3.6
125.05992	1.8
128.06233	3.3
129.07005	7.4
130.07790	3.6
131.08580	21.7
132.09325	1.7
133.06483	5.8
133.10147	18.2
135.08058	14.9
135.11681	7.2
137.05994	2.6
137.09599	9.0
137.13300	2.4
141.06973	3.5
142.07793	11.1
143.08542	12.0
144.09323	5.1
145.06450	2.4
145.10127	36.4
147.08028	16.0
147.11688	51.6
148.08730	2.0
149.09622	13.7
149.13293	2.9
151.07529	19.2
153.06956	1.8
153.09085	2.1
154.07664	1.8
155.08537	6.3
156.09291	4.0
157.10141	17.2
158.07185	1.8
159.08060	7.1
159.11716	16.3
160.08919	2.3
161.09636	7.9
161.13260	5.6
161.20317	1.6
163.11198	3.3
163.14972	1.7
165.09122	35.9
167.08635	3.6
168.09344	2.9
169.10146	10.1
170.10901	2.3
171.11725	8.8
173.09607	6.1
173.13268	10.2
175.11195	29.1
175.14873	3.0
176.11502	2.3
177.09093	4.0
181.10089	3.5
182.11031	1.9
183.11694	10.7
185.09613	2.9
185.13240	4.8
187.11200	4.8
187.14792	3.3
189.12709	7.7
191.14192	2.5
193.10162	2.9
194.10846	2.0
195.11787	3.2
196.12416	3.0
197.13242	3.7
199.14810	2.7
201.12708	9.8
201.16356	3.3
203.14320	16.6
203.18051	2.7
207.12029	2.0
207.13730	8.1
209.13385	4.0
211.14786	5.2
213.12720	3.0
219.11819	2.5
219.13849	7.0
221.13391	2.6
221.15361	67.4
223.14908	2.0
225.16339	2.1
227.14166	2.7
227.17845	2.3
229.15851	6.4
231.13881	3.0
233.13257	2.2
233.15411	5.9
234.16154	21.7
235.14716	2.2
253.15858	3.6
281.18790	2.0
287.20129	6.4
300.20703	3.2
329.21054	5.9
391.26294	5.7
409.27353	36.7
409.33490	3.2
409.38739	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20293	2.0
52.64991	1.8
53.03934	4.1
55.01863	2.5
55.05318	1.6
55.05512	19.1
57.07066	7.9
57.31463	1.8
59.04986	3.4
65.03926	2.8
67.05505	22.7
69.03421	6.9
69.07072	17.1
69.53708	14.4
71.08681	1.7
71.50070	1.7
79.05495	22.3
81.03419	2.8
81.07056	40.7
83.04983	3.8
83.08617	3.6
85.06525	8.0
91.05478	36.7
93.07046	44.8
95.04967	51.1
95.08607	37.5
96.05237	1.9
97.06529	5.9
103.05475	3.0
105.07035	100.0
107.08597	29.5
109.06523	15.3
109.09489	2.6
109.10155	19.4
111.08078	2.5
111.11690	1.9
113.48063	1.8
115.05428	3.4
115.45750	1.8
117.07043	12.9
119.08581	67.3
120.08899	2.1
121.06505	13.6
121.10146	19.0
123.08055	16.5
123.11700	7.4
128.06218	7.0
129.06973	7.7
130.07779	4.6
131.08566	19.2
133.06494	5.5
133.10120	18.9
135.08061	13.2
135.11661	8.4
137.05943	3.3
137.09622	9.3
137.13182	3.0
141.06918	3.7
142.07800	12.1
143.08539	10.7
144.09296	2.0
145.10130	37.4
146.33878	2.2
147.08044	15.8
147.11685	44.1
149.09636	10.9
149.13252	3.4
151.07535	17.3
153.06981	2.0
154.07799	2.1
155.08539	8.0
156.09328	5.4
157.10146	21.6
158.10802	2.9
159.08034	5.2
159.11696	14.4
161.09604	5.9
161.13239	8.8
163.11147	2.3
163.14861	2.5
165.01773	2.2
165.09135	30.9
169.10150	10.2
171.11674	8.3
173.09619	3.7
173.13243	8.6
175.11191	30.8
177.09079	4.3
177.16417	2.4
181.10048	5.6
183.11656	8.3
185.13242	2.3
185.92857	2.3
187.11221	3.9
187.14790	4.8
189.12720	4.4
189.16487	2.6
191.14226	2.9
191.17847	3.4
193.10106	2.7
195.11642	4.5
196.12340	2.2
197.13167	4.7
199.14803	3.1
201.12714	10.8
201.16377	6.6
203.14383	12.2
203.17961	4.8
205.19331	2.7
207.13765	7.6
209.13223	2.8
209.15233	2.9
211.14838	3.7
213.12691	3.4
215.14262	4.5
216.14967	3.0
217.19498	2.5
219.11818	2.4
219.13805	4.8
221.13190	2.9
221.15363	56.4
223.14893	3.0
229.15919	4.4
231.13853	4.5
233.15385	4.5
234.16092	16.3
236.32326	2.1
286.19199	5.1
287.20087	6.5
300.20911	2.6
329.21017	6.8
391.26379	3.1
391.33752	2.9
409.19116	2.9
409.27295	40.1
409.34421	9.3
409.39023	3.4
410.27655	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	409.2009
Annotation	Paratocarpin J
Peak:m/z	Relative Intensity
55.01869	5.1
55.05508	1.4
59.05001	1.9
67.05501	6.6
68.99786	2.8
69.03420	1.1
69.07076	4.8
70.06516	0.8
75.87713	0.7
79.01871	1.3
79.05488	1.9
81.03417	3.4
81.07059	3.8
83.08617	1.8
85.06529	0.9
91.05470	3.7
92.99765	1.3
93.07056	4.4
93.98668	0.7
95.01344	0.9
95.04968	3.3
95.08601	5.0
97.02897	2.0
99.00842	1.3
105.07012	5.1
107.08594	3.8
109.02882	1.7
109.06532	1.4
109.10165	3.1
117.01872	1.0
117.07019	1.7
119.08590	2.4
121.06536	1.3
121.10146	2.8
123.08040	1.0
123.11726	1.2
124.56889	0.8
129.07037	0.9
131.08588	1.8
133.06505	4.4
133.10129	3.0
135.11742	1.5
137.02324	4.0
141.01819	10.4
143.08563	1.6
145.10139	2.8
147.08118	1.3
147.11699	1.8
151.07533	2.4
155.08594	0.9
157.10150	2.2
159.08040	1.6
159.11697	2.2
161.09618	2.9
161.13350	1.0
165.01840	92.1
165.12869	0.8
166.02159	1.9
167.03416	4.9
168.91353	0.8
169.10115	1.9
171.08205	0.8
171.11760	1.4
173.09610	1.9
175.11205	2.0
179.08508	0.9
183.02895	100.0
183.11708	1.7
184.03241	1.7
185.04485	2.9
185.13220	1.6
189.12732	9.0
191.03398	3.8
193.04953	10.9
194.01247	0.8
195.08090	2.3
199.14830	0.7
203.14246	1.0
213.09117	4.4
215.10675	1.1
219.06511	4.0
221.08174	5.4
221.15364	1.7
223.14810	1.1
240.93083	0.9
244.32011	0.8
255.06532	1.0
297.07315	1.5
311.12442	1.3
317.25009	1.4
338.04843	0.8
353.13828	60.9
354.14157	3.4
402.47687	0.9
409.20090	16.5
409.26089	2.2
409.34610	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.1
53.44044	1.6
55.01870	3.1
55.05513	21.3
57.07075	8.9
59.05003	3.6
65.03947	4.0
67.05505	23.7
68.06515	1.6
69.03419	8.4
69.07068	10.9
70.12483	4.2
70.12865	4.0
71.05005	1.7
79.05490	21.7
81.03419	2.2
81.06596	2.1
81.07061	34.7
83.04967	5.2
85.06550	5.8
88.80508	1.5
91.05486	32.9
93.07046	49.1
95.04369	3.8
95.04973	55.1
95.08609	37.3
97.06536	6.9
98.20916	2.3
103.05478	4.8
105.07034	100.0
106.07339	2.3
107.08597	29.6
109.06515	13.7
109.10155	14.7
111.08078	2.4
115.05468	2.7
117.07018	13.5
119.04959	2.2
119.08587	69.4
120.09325	1.8
121.06510	17.7
121.10144	13.2
123.08071	21.2
123.11714	3.6
125.05992	1.8
128.06233	3.3
129.07005	7.4
130.07790	3.6
131.08580	21.7
132.09325	1.7
133.06483	5.8
133.10147	18.2
135.08058	14.9
135.11681	7.2
137.05994	2.6
137.09599	9.0
137.13300	2.4
141.06973	3.5
142.07793	11.1
143.08542	12.0
144.09323	5.1
145.06450	2.4
145.10127	36.4
147.08028	16.0
147.11688	51.6
148.08730	2.0
149.09622	13.7
149.13293	2.9
151.07529	19.2
153.06956	1.8
153.09085	2.1
154.07664	1.8
155.08537	6.3
156.09291	4.0
157.10141	17.2
158.07185	1.8
159.08060	7.1
159.11716	16.3
160.08919	2.3
161.09636	7.9
161.13260	5.6
161.20317	1.6
163.11198	3.3
163.14972	1.7
165.09122	35.9
167.08635	3.6
168.09344	2.9
169.10146	10.1
170.10901	2.3
171.11725	8.8
173.09607	6.1
173.13268	10.2
175.11195	29.1
175.14873	3.0
176.11502	2.3
177.09093	4.0
181.10089	3.5
182.11031	1.9
183.11694	10.7
185.09613	2.9
185.13240	4.8
187.11200	4.8
187.14792	3.3
189.12709	7.7
191.14192	2.5
193.10162	2.9
194.10846	2.0
195.11787	3.2
196.12416	3.0
197.13242	3.7
199.14810	2.7
201.12708	9.8
201.16356	3.3
203.14320	16.6
203.18051	2.7
207.12029	2.0
207.13730	8.1
209.13385	4.0
211.14786	5.2
213.12720	3.0
219.11819	2.5
219.13849	7.0
221.13391	2.6
221.15361	67.4
223.14908	2.0
225.16339	2.1
227.14166	2.7
227.17845	2.3
229.15851	6.4
231.13881	3.0
233.13257	2.2
233.15411	5.9
234.16154	21.7
235.14716	2.2
253.15858	3.6
281.18790	2.0
287.20129	6.4
300.20703	3.2
329.21054	5.9
391.26294	5.7
409.27353	36.7
409.33490	3.2
409.38739	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2007
Annotation	Xanthokeismin A
Peak:m/z	Relative Intensity
51.56124	2.6
53.03963	3.7
55.01867	7.0
55.05517	5.3
65.03941	3.0
67.05499	16.0
69.03419	7.9
70.01706	9.6
70.02101	4.7
70.06577	2.7
79.05493	15.1
81.03418	25.1
81.07061	11.0
81.08285	2.7
83.04993	4.9
83.08621	3.9
91.05482	25.6
93.07064	8.2
95.01347	18.1
95.04976	29.8
95.08619	10.8
103.05503	3.2
105.03412	8.4
105.07037	34.4
107.04974	4.6
107.08611	16.8
109.06519	9.2
109.10149	7.8
115.05449	5.4
117.07048	11.1
119.04935	3.8
119.08588	23.6
121.06516	11.5
121.10168	4.4
123.08104	3.1
128.06227	6.2
129.07010	11.9
131.08591	14.8
133.06477	16.5
133.10138	5.9
135.08061	14.9
135.11702	3.2
142.07748	3.0
143.08572	9.5
145.06487	18.1
145.10138	7.7
147.04417	3.4
147.08011	14.5
149.05977	7.8
149.09656	6.0
154.04756	2.9
155.08539	7.3
156.09410	4.6
157.06552	3.3
157.10155	8.0
159.08017	22.9
159.11763	4.6
161.05988	36.9
161.09651	11.6
167.08595	4.5
169.10106	7.1
171.08003	5.5
171.11670	5.6
173.09634	9.7
175.07515	39.0
175.11235	4.9
176.07036	15.4
179.08601	6.4
180.09351	3.4
181.06448	3.6
181.10132	5.0
182.07347	4.8
183.08121	6.2
183.11790	5.7
185.09630	9.1
187.07558	8.9
187.11250	7.7
189.09233	4.1
189.12833	3.7
191.08553	3.8
193.10287	3.1
195.08112	7.8
195.11652	6.9
197.09589	13.0
197.13403	3.6
199.07587	6.6
199.11247	6.7
201.09175	4.1
201.12701	2.7
203.10736	4.1
204.06598	2.8
205.07292	5.2
207.11664	3.9
209.09578	5.1
211.11153	4.5
213.09088	3.2
213.12827	4.2
215.10832	5.4
219.08177	3.4
220.09645	5.2
221.09592	5.6
221.13435	3.0
223.11218	7.1
225.09111	10.3
225.12721	3.8
226.10167	2.7
227.10678	4.1
231.11771	3.3
235.11203	6.2
237.12881	5.6
243.10023	3.9
246.10304	5.4
247.11043	5.5
249.12663	4.4
251.10716	3.5
252.11606	3.5
258.10617	2.7
259.11154	3.3
261.12796	6.7
263.14294	3.2
271.11285	3.9
273.12631	5.0
275.10825	3.8
279.13788	5.7
287.91306	3.1
289.12335	3.6
291.13995	5.3
305.15424	3.7
307.13406	5.6
331.16980	9.8
333.14926	8.5
349.14310	4.6
349.18103	7.1
351.15891	7.5
363.19507	5.9
373.18002	3.5
391.18985	27.5
409.20172	100.0
409.25372	4.8
409.31195	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	409.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29219	0.6
53.03923	0.7
55.01861	1.2
55.05504	0.9
64.83656	0.6
65.03951	3.7
67.05508	21.1
69.03423	1.3
69.07073	1.6
69.63223	2.2
69.63651	2.4
71.04955	0.7
79.05495	2.2
81.03422	10.2
81.07059	2.1
83.04975	0.7
91.05482	3.9
93.07041	3.0
95.01331	14.3
95.01887	1.3
95.04968	100.0
95.08610	1.2
96.05295	1.7
97.02859	1.4
97.06558	1.2
105.07006	3.1
107.04948	1.4
107.08628	1.4
109.06525	2.4
112.32272	0.6
115.05501	1.0
117.07032	2.2
119.08608	2.3
121.06478	3.2
121.10121	0.8
123.04440	1.6
128.06252	1.8
129.07011	2.2
131.04910	1.2
131.08563	3.9
131.10242	0.6
133.06491	3.0
133.10065	0.8
135.07976	0.6
137.05981	1.5
141.07028	3.0
142.07796	2.5
143.08574	3.8
145.06482	5.2
145.10143	3.0
146.07249	0.9
147.08058	2.3
149.05991	1.0
149.09650	0.9
153.07019	2.0
155.08606	4.8
156.09346	2.0
157.06456	3.1
157.10167	3.7
158.07304	1.5
159.08057	6.1
159.11746	1.5
161.05983	2.0
163.07574	3.4
165.07021	3.0
166.07787	0.8
167.08563	3.9
168.09406	1.4
169.06471	2.3
169.10104	4.3
170.07220	0.9
171.08058	4.6
171.11723	1.7
173.09683	2.1
173.13257	1.3
175.07596	1.2
177.08992	0.8
178.07834	2.0
179.08458	3.4
180.09370	1.1
181.06445	0.9
181.10104	3.9
182.07310	1.3
182.10931	0.8
183.08035	5.6
183.11694	2.7
184.08861	1.9
184.12431	0.7
185.09628	4.5
185.13264	2.0
186.10364	1.2
187.07651	0.9
187.11180	14.6
187.14790	0.7
188.11891	2.0
189.09157	0.7
191.08598	1.5
192.09373	1.6
193.10150	4.4
194.10788	0.7
195.08034	6.2
195.11700	3.6
196.08835	2.5
197.09612	7.6
197.13229	1.2
198.10275	0.7
199.07500	1.4
199.11182	4.9
200.12004	2.1
201.09164	0.9
201.12798	2.5
202.07832	1.3
203.08708	0.9
203.10722	0.8
203.41557	0.7
204.09341	0.9
205.10133	1.6
206.07245	0.8
206.10887	1.2
207.08093	1.8
207.11728	2.6
208.08923	1.9
209.09612	5.6
209.13173	1.5
210.10367	0.8
211.07602	4.7
211.11185	6.4
211.14873	1.1
212.08136	1.0
212.11971	1.0
213.09056	3.9
213.12657	3.1
215.10738	1.0
217.10217	1.2
218.07222	0.8
218.10927	0.7
219.08052	1.9
219.11630	1.7
220.08929	1.1
221.09700	4.3
221.13158	1.1
222.10365	1.6
223.07487	1.0
223.11151	3.4
224.08298	1.0
225.09178	3.7
225.12778	2.9
227.10635	1.8
227.14258	1.6
228.11496	0.9
228.15054	1.6
229.08583	2.0
229.12175	3.3
231.08092	1.5
232.08784	1.6
233.09682	3.1
233.13297	1.2
234.10379	1.9
235.11194	4.3
235.14905	0.8
236.11884	1.0
237.09132	1.2
237.12746	4.0
239.10690	7.3
239.14197	3.5
243.10176	1.0
243.13924	2.0
245.09694	1.4
246.10428	1.5
247.11200	1.8
249.09062	1.1
249.12766	2.4
251.10721	2.4
251.14307	1.6
253.12315	2.7
253.15936	2.7
254.13217	0.8
254.16521	1.4
255.14058	0.7
257.11639	0.8
259.11121	1.0
260.11911	0.9
261.12753	1.8
263.10712	2.4
263.14352	7.9
264.11658	0.7
264.14886	1.5
265.12259	2.2
265.15887	1.6
266.13202	1.1
267.13751	6.4
268.14151	0.7
275.14297	1.5
277.12509	0.8
277.15894	1.8
278.16565	0.8
281.12201	1.0
281.15350	19.1
282.16132	19.0
283.16492	1.2
287.16656	1.1
288.14883	0.7
289.12299	2.5
289.15561	0.9
290.12701	0.7
291.10706	1.0
291.13666	4.4
293.11810	1.8
295.13400	1.0
295.16907	0.9
299.16434	1.3
303.13855	1.9
305.15433	2.9
306.16083	8.8
307.13324	3.8
307.16531	1.4
309.14777	1.4
315.15906	0.9
321.14807	1.0
323.16409	6.4
324.17184	10.9
325.14243	1.2
327.15997	4.4
331.13333	1.9
331.17056	1.0
349.14279	3.6
349.18042	2.7
350.14587	0.7
363.19638	2.1
367.19067	3.3
373.17807	1.5
391.19043	5.1
409.14706	1.1
409.20099	18.5
409.25418	1.3
410.20773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2008
Annotation	Xanthokeismin A
Peak:m/z	Relative Intensity
53.03939	3.8
53.04187	1.5
55.01878	9.3
55.05500	5.1
55.35992	1.6
56.79410	1.6
57.07064	2.3
59.04991	1.9
65.03918	4.1
67.05177	2.9
67.05505	34.8
69.03420	5.3
69.07051	7.3
71.04979	2.2
71.53062	3.5
76.47900	1.7
79.05498	18.6
81.03423	14.3
81.07056	14.5
83.01346	3.3
83.04979	4.2
85.06542	1.8
91.05472	22.3
93.07045	18.7
95.01328	69.6
95.04966	66.6
95.08604	12.2
97.02883	3.9
97.06514	4.6
97.10163	2.0
100.56900	1.4
103.05475	4.5
105.03417	2.4
105.07033	51.3
107.04958	8.4
107.08603	11.3
109.02856	3.3
109.06548	8.9
109.10149	13.1
111.04445	2.1
115.05444	4.3
117.06998	9.6
119.04937	3.8
119.08591	20.8
121.06510	10.2
121.10154	5.3
123.04409	8.7
123.08067	5.9
126.00125	1.5
128.06200	9.7
129.06982	16.9
130.07817	2.1
131.08569	20.9
133.06496	25.8
133.10146	8.7
135.08052	7.5
135.11700	6.9
137.05943	2.7
137.09631	3.9
141.06985	9.2
142.07756	7.0
143.08549	16.7
144.09311	2.0
145.06474	12.7
145.10129	12.7
147.04370	2.4
147.08032	13.2
147.11685	9.7
149.05978	5.7
149.09669	2.6
151.07565	2.3
153.05608	1.8
153.06982	5.1
154.07784	3.2
155.08533	16.1
156.09344	7.6
157.06532	5.5
157.10127	13.9
159.08037	17.2
159.11720	6.8
161.05986	80.6
161.09668	4.2
163.07542	5.6
165.06961	7.8
166.07770	3.8
166.14095	1.7
167.08549	8.7
168.09302	5.0
169.06470	4.7
169.10139	13.1
170.10883	3.2
171.08058	9.1
171.11693	9.2
173.06017	4.0
173.09612	5.5
173.11848	3.3
173.13268	8.1
175.07559	13.2
175.11195	3.9
177.05518	3.1
177.09148	4.0
178.07814	3.2
179.07056	5.2
179.08575	8.8
180.09291	2.8
181.06564	3.9
181.10139	10.0
182.07367	3.0
182.10988	2.3
183.08037	9.9
183.11682	12.8
184.08916	2.3
185.05939	2.0
185.09644	10.5
185.13297	7.6
187.07550	14.6
187.11194	5.5
187.14745	2.6
189.09119	2.7
189.12735	5.1
191.07086	1.8
191.08659	3.6
191.10583	2.0
192.09343	5.0
193.10176	6.4
194.07315	2.0
195.08081	7.7
195.11746	7.9
196.08862	2.9
197.05933	1.9
197.09601	12.7
197.13284	7.5
199.07578	4.3
199.11227	7.2
199.14879	4.4
200.08424	1.8
201.09106	5.3
201.12785	4.9
203.08548	2.2
203.10670	3.5
205.10077	2.0
206.10915	4.6
207.08160	2.2
207.11728	5.6
207.13811	2.6
208.12404	2.3
209.09654	6.8
209.13229	6.0
211.07547	5.5
211.11111	9.2
211.14803	5.9
213.09180	5.7
213.12769	5.3
215.10724	5.8
217.10284	3.5
217.12233	5.1
219.11758	2.7
221.09659	5.0
221.13260	7.8
223.11162	4.9
223.14810	4.6
225.09059	8.2
225.12724	6.0
225.16156	2.3
227.10686	6.4
227.14291	3.1
229.12254	5.2
231.11777	2.4
231.13791	3.5
232.08824	2.1
232.12292	2.4
233.09631	3.3
235.11157	6.1
236.11847	2.0
237.09077	2.3
237.12775	4.3
237.16576	1.9
239.14313	6.5
239.18169	2.3
241.12289	5.1
241.15950	2.5
243.13820	10.3
247.11185	3.5
247.14906	2.2
248.12064	1.9
249.12833	8.9
249.16331	2.1
251.10854	3.1
251.14255	4.4
253.12186	2.7
255.13815	3.8
257.15442	2.5
263.10541	1.8
263.14435	3.4
265.12033	2.6
267.13852	6.6
269.15302	4.3
275.10767	3.2
277.12231	2.0
277.15756	2.7
279.17712	2.3
281.15533	2.1
285.14926	7.0
293.15329	2.6
295.16937	2.1
303.13907	3.8
313.14410	2.3
313.17667	1.8
317.18909	3.4
321.15082	2.3
321.18414	3.0
327.17288	2.1
331.16980	2.1
335.20050	4.6
345.18466	6.4
349.14102	2.4
349.17926	4.7
358.25400	1.8
363.19464	15.3
373.18048	7.8
379.19086	2.5
381.20673	6.4
386.37088	1.9
391.19064	29.2
392.19168	1.9
409.20120	100.0
409.25864	5.4
410.20490	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46042	0.8
55.01867	1.5
55.05513	8.1
56.05030	1.5
56.05838	2.0
57.03421	1.2
58.99569	3.2
60.04528	0.8
60.99151	1.1
67.05495	1.3
69.03415	3.3
69.07060	1.6
70.02902	0.9
70.05527	0.7
70.06577	5.2
70.67361	2.5
72.08138	3.5
74.06051	0.9
75.41459	0.8
76.02222	1.6
78.01787	1.5
79.05484	1.3
81.03407	1.7
81.07047	2.4
82.06569	5.9
82.07332	1.2
83.06926	1.1
83.08610	3.8
84.04506	6.1
84.08141	15.6
84.08958	2.4
85.02905	3.0
85.04824	2.3
85.08463	5.7
86.09698	8.4
87.00802	2.1
93.07020	1.5
95.04942	1.5
97.02882	3.1
98.09708	1.2
99.10016	0.9
100.07607	1.1
101.07923	1.2
105.07022	1.5
107.08546	1.0
110.06046	8.1
110.07199	1.1
110.09662	1.7
111.06348	3.7
114.09151	7.1
115.03866	0.8
115.09494	3.7
116.01688	6.4
117.01990	1.9
118.01288	1.9
120.08100	4.7
124.07602	1.1
127.03844	1.6
127.12298	2.8
128.67407	0.9
129.06621	1.2
129.10265	1.2
130.05032	1.7
130.06860	0.9
136.07597	1.7
138.09122	2.7
142.03159	1.1
142.08641	9.4
143.09056	5.4
143.10648	1.5
144.01094	2.1
144.10164	3.4
145.10579	2.0
146.00771	0.9
151.11238	1.2
156.08223	0.9
156.10234	1.1
158.08084	1.3
159.06430	0.9
159.08334	2.9
160.08562	1.7
160.09717	20.1
161.10030	15.1
162.02199	9.0
162.05508	5.8
163.02576	4.9
164.01738	1.7
170.11783	4.3
181.04459	1.1
187.14410	10.2
199.08701	1.2
200.13853	1.6
211.08759	4.2
213.10207	2.5
215.11700	1.5
217.09705	1.5
219.06897	1.2
223.12267	0.9
225.10301	4.1
229.09807	2.6
230.11816	1.0
239.08174	4.9
239.11737	3.2
240.08931	3.5
241.09698	4.2
242.10280	1.2
243.07639	1.0
243.11340	6.1
247.13872	1.1
248.13034	1.7
253.09846	4.8
254.10492	1.0
257.09192	2.5
257.12595	1.0
259.10745	4.9
260.11273	1.7
261.10773	5.5
262.11029	10.8
263.11395	5.9
267.07578	1.1
267.11334	4.2
268.08432	5.9
268.11221	0.8
271.10770	22.0
273.12265	1.6
275.10199	2.1
277.11859	2.7
280.14093	1.1
281.09164	1.1
285.08936	1.6
285.12329	2.8
289.11768	2.7
295.10788	4.2
299.10236	1.1
313.11844	5.6
317.11365	1.9
323.10287	6.8
327.13480	1.8
331.12906	1.4
334.15195	2.0
335.12433	2.8
341.11349	14.7
345.14401	3.1
349.13852	1.2
355.12933	2.8
359.12332	3.3
373.13922	13.5
391.14972	22.4
392.15698	1.3
409.16000	100.0
409.27145	4.9
410.16296	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1854
Annotation	Macrocliniside C
Peak:m/z	Relative Intensity
53.03938	7.4
53.43332	1.6
55.01862	3.7
55.05499	8.1
57.03427	4.4
59.04585	1.9
61.02895	2.2
62.92334	1.8
65.03932	4.9
67.05499	14.1
69.03429	37.7
69.07059	5.1
70.06585	14.3
70.74966	4.1
71.04994	10.2
71.44725	2.1
72.08160	4.2
73.02909	1.7
79.05491	15.4
81.03419	36.9
81.07060	16.3
83.04988	9.2
84.04501	4.4
84.08125	8.1
84.77299	2.0
85.02905	23.4
85.06547	2.7
86.09708	19.3
87.10051	2.2
91.05476	26.7
93.06478	3.8
93.07042	44.8
95.04968	32.5
95.08605	9.2
97.02894	16.3
97.06512	9.2
99.04446	6.3
102.05490	2.8
103.05438	2.2
105.03391	3.4
105.06313	2.9
105.07027	51.6
107.04958	5.6
107.08592	18.2
109.02866	20.1
109.06522	31.8
109.10194	4.2
110.07175	2.3
110.09673	8.5
110.10387	2.7
111.04437	15.9
111.08070	5.8
115.05467	4.8
117.07001	9.8
119.04971	4.9
119.08585	47.7
120.08131	9.4
120.08838	2.0
121.02872	5.1
121.06511	19.1
121.08427	2.8
121.10130	10.0
122.10441	2.2
123.04431	3.7
123.08052	9.0
124.07597	3.0
125.09665	3.1
127.03902	8.6
127.11166	5.4
128.06180	4.7
128.07094	9.3
129.05582	1.7
129.06958	7.5
130.07813	3.4
131.04927	4.7
131.08568	23.8
133.02811	8.8
133.06459	10.7
133.10118	24.5
135.04378	3.0
135.07059	1.8
135.07999	10.2
135.11685	3.8
136.06218	4.6
137.05959	7.9
137.09622	5.2
139.07504	3.2
141.07016	5.3
142.07785	9.4
143.08574	18.6
145.06490	10.7
145.10118	34.1
146.07228	5.1
147.04398	7.2
147.08057	17.9
147.11710	9.7
149.06013	5.2
149.09615	4.3
150.09140	1.9
151.03868	12.1
151.07529	4.6
153.06982	3.1
155.07344	1.8
155.08543	11.0
156.09317	2.6
157.06538	3.6
157.10101	31.8
158.07263	11.7
158.10873	2.7
159.08075	20.9
159.11673	24.7
160.08818	3.7
161.06004	2.9
161.09613	38.2
163.07549	5.7
163.11217	2.8
165.07063	2.6
165.09100	3.2
166.08673	3.2
168.09357	4.5
169.10139	2.5
171.08075	7.5
171.11703	6.9
172.08815	7.5
173.05989	3.7
173.09642	18.9
173.13274	16.6
174.06749	3.1
175.07516	14.0
175.11192	22.3
177.05438	2.7
177.09087	3.1
179.10628	3.0
181.06548	2.3
183.11708	7.8
185.05997	2.1
185.09599	6.0
185.13263	4.6
186.10429	3.2
187.07550	5.7
187.11166	17.7
187.14517	3.4
188.09151	4.0
189.09119	15.2
193.08551	2.8
193.10182	2.9
196.08858	6.7
197.06128	2.4
199.11110	4.3
201.09082	9.8
201.12730	17.8
203.10678	36.6
205.08495	4.2
205.12256	6.8
211.07469	3.9
211.11165	14.3
213.05531	9.1
214.06265	6.5
215.14030	2.2
216.14209	2.1
217.12315	6.4
219.13835	12.1
222.07741	2.1
229.08601	100.0
229.12100	22.7
230.08879	4.1
247.09700	22.5
247.13306	77.8
248.13556	2.1
264.14505	2.7
265.10757	6.2
265.14322	9.2
299.09293	2.1
319.15451	4.0
331.16418	2.3
347.14828	2.6
373.16727	2.6
377.12323	2.1
391.17612	46.8
393.23050	2.2
409.18753	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23748	1.2
53.03929	1.7
55.01857	5.1
55.05510	23.8
56.05025	4.8
56.05838	4.6
57.03428	5.6
58.75807	1.2
58.99572	4.2
59.04965	1.3
60.99149	3.6
61.02925	1.8
67.05534	1.4
69.03433	18.6
70.03761	3.0
70.06590	10.5
71.04979	2.3
71.53412	2.0
72.08144	5.6
73.02919	1.5
76.02221	3.5
76.04016	1.8
78.01797	6.0
79.05492	2.6
81.03411	4.5
81.04529	3.6
81.07055	7.2
82.06580	21.6
82.07358	2.4
83.04963	2.1
83.06912	9.2
83.08604	7.3
84.04491	12.6
84.08138	58.0
84.08952	4.0
85.02895	11.4
85.04829	3.4
85.07925	1.8
85.08469	17.4
86.03228	2.6
86.09726	7.6
86.99046	3.4
87.00843	7.8
87.04455	1.3
89.02264	1.6
91.05471	3.0
93.07027	2.4
95.04969	2.7
95.06090	2.4
95.08604	2.6
97.02879	10.7
97.06537	2.0
98.03217	3.7
98.09717	2.8
100.07632	2.0
101.06050	1.5
102.05556	2.8
103.19080	1.5
105.01859	4.1
105.03394	2.6
105.07036	3.2
107.04942	6.3
107.08613	1.5
107.43806	1.5
108.08157	1.3
109.02850	3.4
110.06041	38.8
110.09696	2.4
111.05695	2.8
111.06383	19.5
114.08416	2.5
114.09157	28.9
115.03867	3.4
115.08799	2.8
115.09509	15.6
116.01679	11.2
116.04173	1.8
117.01973	4.5
118.01237	5.8
119.04950	1.3
120.08096	5.5
125.07114	2.6
127.03921	5.3
127.12320	2.9
129.05504	1.5
129.10225	3.0
130.04987	4.1
130.08632	2.1
136.07582	4.9
138.09146	1.4
142.07581	2.9
142.08630	38.4
143.03418	1.6
143.08122	7.8
143.09071	23.3
144.01129	4.7
144.10210	16.1
145.01460	2.5
145.04985	1.5
145.10558	7.7
155.05060	1.4
157.10425	2.2
159.02893	2.0
159.08382	7.3
160.09702	100.0
161.10062	73.3
162.02216	13.4
162.05511	14.1
162.10292	1.7
163.02530	8.4
164.01782	2.8
170.11746	2.2
176.09010	1.5
187.14427	7.4
201.12386	2.4
203.10457	1.4
229.08702	1.8
229.12405	1.5
230.11777	2.5
240.08942	1.7
247.09659	1.9
247.13394	2.8
248.12782	2.9
259.10953	2.9
260.11435	2.6
261.10718	10.3
262.11023	21.1
263.11560	6.7
267.11234	1.7
271.10837	7.2
280.14102	2.4
313.11847	1.6
316.12311	2.0
323.10266	2.6
331.09274	2.5
341.11227	4.2
345.14816	1.7
359.12366	1.5
365.12027	3.7
373.13931	3.3
376.41022	1.8
391.15070	7.3
409.10977	13.8
409.15964	28.2
409.27090	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	409.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01872	7.5
55.05498	2.9
57.03418	3.6
58.30155	1.4
59.04988	3.1
60.04512	1.6
61.02917	1.3
67.05505	7.7
69.03427	19.6
69.07064	4.3
69.92123	6.7
70.06585	11.0
71.04983	3.7
72.08147	3.6
73.02890	2.7
79.05485	5.0
81.03416	13.5
81.07050	9.5
82.06525	1.4
83.01280	1.8
83.04978	3.6
83.08616	2.3
84.08119	4.7
85.02898	17.0
85.06549	2.5
86.09689	6.1
91.05475	10.4
93.07047	8.9
95.04980	8.2
95.08605	7.8
97.02880	11.4
97.06511	3.1
98.20796	2.9
98.67626	1.7
99.04453	7.1
102.03769	11.5
105.03400	6.1
105.07030	10.1
107.04941	2.7
107.08564	5.2
109.02884	10.0
109.06514	3.7
109.10152	3.1
110.07161	2.0
111.04463	3.7
113.06038	1.5
115.05475	1.8
116.01714	1.7
116.07053	2.0
117.07008	3.8
119.03374	2.0
119.04948	3.1
119.08574	7.3
120.08096	6.8
121.02840	2.6
121.06481	6.3
121.08452	1.5
121.10122	4.0
123.04424	3.3
123.11679	2.0
125.09649	2.3
127.03922	11.4
127.07539	2.2
128.04320	1.8
128.05304	35.0
129.06966	3.2
129.10223	3.4
131.08569	9.9
133.06444	3.3
133.10120	4.5
134.06024	8.7
135.04410	11.1
135.08054	4.1
135.11708	1.8
136.07520	1.8
141.06969	2.4
143.03400	7.8
143.07329	1.8
143.10667	1.8
144.09256	3.2
145.04939	6.6
145.06311	7.2
145.10103	5.2
147.04398	5.3
147.08022	5.8
149.05943	4.1
149.09604	2.5
151.03912	2.1
151.07539	2.3
153.07039	2.1
157.10158	4.7
158.07274	3.8
159.08011	9.8
159.11684	14.9
161.05959	2.7
161.09679	2.2
163.03914	4.3
163.07541	31.4
170.06343	1.8
171.11710	2.0
175.03897	2.0
175.07510	8.4
176.07047	1.4
177.05443	3.2
177.09134	4.7
179.10657	2.7
187.06056	2.5
187.07549	14.8
187.11176	12.3
189.05504	9.9
189.09117	5.9
197.11725	2.9
201.12698	3.9
203.10689	2.1
204.06546	6.1
205.08598	100.0
206.08902	3.5
207.06464	1.8
229.08540	7.4
231.04800	2.1
231.05179	2.2
231.07980	38.3
231.10059	2.3
247.09673	30.8
247.13229	8.3
265.10608	2.1
273.09024	4.7
307.10931	3.3
391.17709	2.9
409.13837	3.7
409.19077	12.1
410.13538	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	409.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.2
51.02381	0.6
53.03947	2.7
55.01866	0.2
55.05500	0.5
57.07063	0.7
67.05505	1.4
69.07079	0.2
75.85935	0.2
77.03904	0.8
77.86777	0.2
79.05502	1.5
81.03418	0.4
81.07071	0.3
83.04953	0.2
85.06537	1.6
91.05474	0.3
93.07079	0.3
95.04967	4.8
95.08617	0.4
98.20815	0.4
105.03391	100.0
106.03725	1.8
107.08588	0.2
109.10168	0.4
116.50053	0.2
119.08546	0.3
121.10114	0.2
123.04450	1.8
131.08553	0.3
133.10170	0.3
135.11714	0.2
145.10092	0.2
150.62500	0.2
157.10092	0.2
159.11789	0.2
189.09116	4.6
201.01880	0.5
202.59056	0.2
203.03424	0.8
207.10161	19.2
208.10551	0.8
269.08139	0.5
287.09116	0.2
391.11798	0.6
391.19180	0.2
409.12683	0.9
409.19940	0.2
409.26065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.05512	2.2
55.96395	1.2
65.03917	2.5
67.05505	12.8
67.79671	1.3
69.07070	1.7
69.72741	3.9
69.73157	4.8
77.20599	1.3
79.05468	3.4
81.07058	1.9
89.03935	2.3
91.05476	2.7
93.07022	2.3
95.04960	12.3
105.03391	100.0
106.03715	2.3
109.10175	1.9
117.03360	1.5
120.63149	1.2
123.04430	3.7
129.03345	3.6
131.08440	1.4
133.06493	1.9
133.10146	1.7
145.02827	8.2
145.06468	1.8
147.04379	3.6
154.07831	2.1
157.02852	7.0
159.08124	1.6
167.08464	1.9
169.10187	2.0
171.04414	3.9
171.08112	3.4
173.02354	28.6
173.03882	1.7
174.02641	1.5
179.08574	2.1
182.07324	1.4
185.02277	1.4
186.03181	1.4
189.09145	6.0
195.08044	1.8
197.09645	2.6
199.03897	6.0
199.07549	7.3
201.01822	32.8
203.03415	19.2
213.09131	1.6
227.06990	13.0
241.08704	10.6
269.08069	49.5
270.08551	1.8
391.18661	1.9
409.20059	6.9
409.25238	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.3
55.05507	1.8
56.05036	1.8
58.06594	2.2
60.04519	2.1
67.05505	3.0
69.03446	6.1
69.07069	2.8
70.06252	1.8
70.06593	17.8
71.04977	1.8
71.52583	2.3
72.08154	12.5
74.06075	1.4
79.05489	1.9
81.03416	3.0
81.07053	1.5
84.04488	2.1
84.08138	20.2
85.02921	6.2
85.06548	1.5
86.09693	11.1
87.10040	2.0
91.05473	3.7
93.07051	3.0
95.04977	3.0
95.08603	1.4
97.02899	3.8
100.07625	1.7
100.99825	1.5
102.49438	1.2
105.07018	2.4
107.04969	1.8
109.02894	4.1
109.06513	2.1
110.05164	1.3
110.07194	2.2
111.04495	1.3
114.09209	1.4
119.04984	1.5
119.08579	1.8
120.08131	6.9
120.08870	1.2
121.02943	1.9
121.06480	1.9
124.07638	1.8
127.03951	3.6
127.12341	6.4
129.10229	3.8
130.08636	1.5
136.07594	5.3
138.05482	1.8
142.06583	1.8
142.08647	4.3
143.08148	2.1
144.08066	1.9
145.10104	2.4
146.05991	1.5
147.04408	1.8
147.07993	1.6
154.19327	1.6
159.08052	1.9
159.11322	6.8
160.03885	1.5
160.07594	10.0
161.07939	10.0
161.09760	1.5
162.05511	7.8
162.09158	1.5
166.05060	1.7
166.08667	2.6
170.11752	10.9
172.07585	2.4
174.09293	1.4
175.11142	1.8
185.07216	1.5
187.05035	16.7
187.08662	2.1
187.10837	3.2
187.14423	34.7
197.07077	2.2
199.08641	2.9
200.07103	2.5
201.06612	6.9
202.07320	1.6
205.09895	1.7
211.04971	3.2
211.08702	5.9
213.06596	3.3
214.08591	3.7
215.08185	17.2
217.06093	2.2
217.09782	2.8
223.10805	2.1
225.06593	5.1
226.07404	3.7
227.08186	2.9
229.06111	8.4
229.08383	3.1
230.06779	1.6
231.07722	2.8
233.09236	4.4
239.08151	16.3
241.06137	2.6
241.09782	4.7
243.07660	29.7
245.09268	2.5
247.05890	1.4
247.09567	2.2
247.13448	3.5
253.06021	5.0
254.06868	5.0
257.09155	17.5
259.07028	1.5
261.08652	15.0
267.07693	14.7
269.09271	6.0
271.07132	17.7
272.07935	1.7
273.08795	3.5
285.08691	58.7
287.10269	3.4
289.08170	40.0
295.07077	7.2
297.08664	10.7
303.09711	20.2
307.09216	8.2
313.08191	64.1
314.08685	3.0
315.09760	24.1
317.07742	2.7
325.07089	3.5
331.09238	100.0
332.09500	2.6
333.10736	18.0
341.07697	7.6
349.10287	87.9
350.10767	3.2
358.91357	1.6
359.08713	26.0
360.08957	1.5
367.11374	15.7
377.09766	35.8
391.11359	38.7
391.16959	2.4
392.12122	1.9
409.12393	54.5
409.18445	5.3
409.26816	13.8
410.13190	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	409.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.1
55.05482	2.1
60.04506	2.1
67.05495	1.7
69.03416	4.2
69.07043	2.8
69.53255	5.5
69.53665	2.1
70.06583	11.4
71.04971	2.6
72.08144	9.5
79.05485	3.7
80.04992	2.0
81.03406	4.7
81.07028	3.1
82.06562	4.6
83.04966	1.5
84.04490	3.2
84.08138	10.2
85.02900	6.2
86.09704	19.0
87.05590	1.8
87.10020	4.0
91.05450	3.0
93.07043	3.1
94.06551	1.5
95.04947	3.7
95.08590	2.6
96.04477	2.3
97.02859	2.5
97.06529	1.6
98.21448	2.5
98.98054	1.5
99.04412	2.1
105.03366	3.1
105.07018	3.6
107.04976	1.4
108.04495	7.6
108.05125	1.5
109.02870	3.0
109.06496	1.6
111.04461	1.8
118.34341	1.1
119.04925	1.4
119.08563	2.4
120.04501	1.3
120.08093	23.3
121.02883	1.5
121.06461	2.1
121.08421	8.2
122.06004	4.0
124.07637	1.4
125.07112	15.2
125.09549	1.2
126.05508	6.1
127.03881	4.4
129.10217	5.1
130.05005	1.3
133.10143	2.3
136.07578	3.0
137.05983	4.2
138.05481	1.3
138.09122	2.3
141.06902	1.5
142.08601	1.5
144.08163	1.4
145.06561	1.3
146.05977	1.6
148.06096	2.1
148.07494	1.9
150.05453	2.6
151.03889	2.3
159.11397	3.1
161.07095	3.3
161.09621	1.3
162.05533	2.8
166.08632	2.1
168.06525	2.0
170.11731	2.1
172.06099	1.3
172.07570	2.5
173.13138	1.5
185.07132	1.5
186.09190	1.3
187.05009	16.1
187.08626	3.0
187.11172	1.4
187.14426	5.2
192.10083	1.6
196.07536	2.1
197.07004	2.7
198.07826	2.8
199.08632	3.4
200.07088	2.9
201.06593	7.8
201.09016	2.0
202.07269	1.8
205.09807	2.2
211.05043	4.6
211.08699	6.4
212.13637	1.9
213.06456	2.6
213.10164	2.5
215.08182	14.8
217.06056	2.1
217.09727	4.2
220.09828	2.7
225.06584	6.3
226.07326	3.8
227.08157	1.9
229.06126	10.6
229.08362	2.3
229.09776	1.4
229.11948	2.5
230.08357	1.5
231.07600	2.4
233.09114	4.0
233.16518	4.5
234.16803	8.0
239.08159	16.2
241.06107	3.2
241.09694	4.3
243.07605	28.5
245.09279	2.9
247.10585	7.5
247.13199	2.7
253.06116	6.6
254.06786	5.3
257.05630	2.0
257.09149	16.6
259.07108	3.8
261.08661	12.6
267.07645	15.0
269.09244	7.2
271.07114	18.9
272.07788	1.6
273.08694	4.7
279.09747	1.3
285.08667	55.3
286.09052	1.8
287.10126	2.7
289.08173	33.7
291.09863	1.6
295.07193	6.7
296.13162	3.0
297.08670	12.5
303.09705	19.9
307.09210	12.1
313.08154	76.2
314.08490	2.3
315.09760	25.4
315.13135	1.0
317.07590	2.7
325.06949	4.7
331.09225	97.9
332.09763	2.6
333.07120	2.0
333.10794	23.1
335.08789	2.6
341.07761	5.9
341.11240	1.5
345.14447	1.4
349.10275	100.0
350.10513	3.1
359.08679	25.5
367.11307	17.4
373.14038	2.6
377.09778	41.0
391.11292	36.0
391.15698	3.3
395.11160	1.7
409.12308	49.8
409.18253	56.5
409.23315	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	408.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.5
57.07066	4.8
58.06318	1.2
58.06603	20.0
59.04990	2.1
60.04533	1.6
65.03941	2.0
67.05505	12.9
69.07068	6.1
70.05362	3.2
70.05757	2.1
70.06580	3.4
71.05000	2.0
72.87323	1.0
79.05485	1.4
81.07047	1.8
83.08597	1.4
84.08141	15.3
84.88144	1.2
85.06548	8.9
91.05495	2.3
93.07041	1.2
95.08614	1.9
100.07621	1.6
104.13024	1.3
105.07020	2.1
107.08616	3.2
109.10155	7.0
118.16351	1.2
119.04916	1.5
119.08648	1.4
121.10144	3.8
122.10480	1.4
126.09127	2.1
129.07005	1.5
131.04910	4.9
133.06461	1.5
133.10133	1.6
147.04395	8.7
152.66273	1.4
159.04407	10.8
163.03880	5.9
165.06943	1.2
167.08630	1.1
173.06020	2.6
175.03903	97.3
176.04228	2.1
177.05487	6.9
185.05991	3.2
187.03908	34.8
187.07526	3.3
189.05452	10.7
198.06755	1.2
199.03900	11.8
199.07535	3.4
201.05482	10.1
203.03419	4.0
203.07002	2.9
211.07474	2.5
213.05470	18.5
215.07034	3.5
217.08540	1.5
224.86586	1.2
226.06226	4.7
227.07053	7.0
228.07867	1.6
228.23241	1.4
229.08582	23.8
231.10144	8.2
239.07079	5.3
241.08604	20.4
243.10187	18.4
245.08081	4.3
246.11313	3.5
247.09642	26.6
253.08604	6.4
255.10052	1.8
257.08130	2.7
259.09753	6.3
267.10187	3.6
275.80087	1.6
286.51016	1.1
293.05768	5.3
295.13300	6.2
313.14322	15.9
330.17020	12.6
330.20721	1.6
331.15274	7.0
349.12015	17.8
350.12408	1.4
354.16995	100.0
355.17392	6.4
366.14725	10.7
367.13177	4.0
372.18060	61.9
373.18405	2.6
402.35825	1.3
408.15701	62.2
408.27167	2.4
409.16077	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	408.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01849	1.8
55.05495	0.6
57.03415	0.9
61.02889	1.1
65.03857	0.3
67.05491	0.7
67.87943	0.4
69.03426	4.5
69.07051	0.6
69.47440	3.2
69.47851	0.6
70.06593	2.8
71.04964	0.7
72.08131	1.0
73.02905	0.7
79.05468	0.7
80.00071	0.4
81.03410	2.1
81.07014	1.2
84.04495	0.7
84.08117	1.1
85.02912	6.9
86.09704	4.8
91.03930	0.5
91.05483	0.6
93.07062	0.4
95.08585	0.4
97.02879	3.0
99.04425	0.7
105.03329	0.4
107.08566	1.6
109.02843	1.0
109.06492	1.1
117.14413	0.4
120.04478	1.9
120.08092	3.9
125.09632	2.7
127.03868	1.6
129.06989	0.4
129.10199	0.7
130.06564	1.0
130.63976	0.4
132.04456	0.7
133.10062	0.6
144.08076	3.5
145.04951	0.9
146.02402	0.8
146.06000	2.6
156.04430	0.7
158.06007	4.4
162.05513	4.4
167.07237	0.8
168.08102	0.6
172.07562	5.5
173.08235	0.9
174.05505	50.5
175.05841	1.2
182.09579	0.8
184.07556	2.6
186.05498	18.0
186.09076	4.4
193.12234	0.9
199.18013	0.9
200.07092	3.4
200.08763	0.6
200.10677	2.8
202.08595	0.9
210.09129	10.4
213.07822	2.1
228.06764	16.6
228.10181	100.0
229.10474	3.0
233.16454	1.6
246.07610	51.0
246.11255	55.7
247.07948	1.9
247.11584	1.4
295.12967	0.5
298.09036	0.5
328.16962	0.4
372.12283	0.5
390.13748	2.6
408.16541	33.8
409.16949	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	408.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
55.05482	0.4
58.99591	5.0
61.01152	0.6
67.05475	0.4
69.03407	0.5
69.44011	3.4
70.06593	1.0
72.08157	0.4
72.51633	0.4
73.01126	1.4
74.00664	0.7
74.02443	0.6
81.03411	0.7
81.07037	0.7
84.04494	0.4
86.00652	4.0
86.09696	0.9
86.99055	2.6
88.02242	2.5
91.05471	0.6
95.08620	0.5
100.03962	1.0
102.00142	0.5
105.03352	0.8
107.04930	0.7
108.04478	1.2
109.02886	0.7
111.61781	0.5
113.01727	1.3
114.33533	0.4
116.01682	4.4
120.04475	6.6
120.08107	1.7
121.02881	3.8
124.02192	1.8
128.03423	2.8
131.02754	1.4
132.01164	0.8
132.04431	1.4
133.05208	1.5
133.09995	0.4
134.00571	1.0
134.06010	1.9
136.03922	2.8
141.01187	1.0
146.06018	1.9
147.05548	1.8
148.03989	1.9
150.05605	0.5
152.01654	18.7
153.01942	0.4
157.00671	0.6
159.02263	4.2
160.00659	5.2
161.04707	0.8
162.05493	1.3
163.05054	7.2
164.01704	0.7
166.03210	0.5
171.05580	0.4
173.07130	1.1
175.05182	0.5
176.01639	0.7
177.02448	0.9
177.99602	4.7
178.01929	0.8
178.03236	6.4
178.05008	1.3
180.10146	1.3
185.85098	0.4
187.01662	1.4
188.66536	0.5
192.04796	1.4
194.02698	1.5
201.06613	0.9
201.12369	0.5
203.02727	6.8
204.03552	7.7
205.04202	1.1
205.08597	0.5
221.03799	27.8
221.83289	0.4
246.08270	0.6
247.07178	2.4
267.04300	0.9
278.05960	5.5
306.05405	1.0
324.06497	100.0
325.06863	1.5
408.12219	8.0
408.26596	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73549	0.4
55.01860	0.6
55.05492	0.4
58.99589	4.5
61.01146	0.7
63.11171	0.4
67.05497	0.6
69.03419	0.6
69.45628	3.3
70.06573	0.5
72.08183	0.5
73.01122	1.6
74.00665	0.8
79.05455	0.6
80.04993	0.4
81.03424	0.8
81.07034	1.0
84.08148	0.5
86.00648	4.2
86.09681	0.6
86.99042	2.4
88.02207	3.3
91.05471	0.7
95.08620	0.8
97.01099	0.6
100.03989	0.6
100.15252	0.4
101.01744	0.5
102.00093	0.5
104.09428	0.4
105.03355	0.6
107.08601	0.4
108.04473	0.7
113.01699	1.2
116.01668	5.0
118.39554	0.4
119.08554	0.4
120.04465	6.1
120.08101	1.5
121.02869	3.1
121.06529	0.4
124.02175	1.4
128.03447	1.9
131.02774	1.6
132.01161	0.5
132.04477	1.0
133.05229	1.9
134.00587	0.8
134.06033	1.9
136.03937	3.2
140.10713	0.6
141.01215	1.1
146.06017	2.2
147.05547	1.8
148.03958	1.9
150.05475	0.5
152.01654	19.0
157.00635	0.5
157.49396	0.4
159.02223	3.7
159.05566	0.4
159.73180	0.4
160.00652	5.9
160.06332	0.7
161.03453	0.4
161.04689	0.6
162.05486	1.6
163.05040	8.0
164.01691	0.5
166.03258	0.5
173.07146	1.6
175.05031	0.8
176.01718	0.8
177.02438	0.8
177.06619	0.7
177.99622	6.0
178.01939	1.1
178.03238	5.5
178.04951	1.3
180.10233	0.7
182.83037	0.4
187.01701	1.6
192.04735	1.4
193.04364	0.6
194.02682	1.3
201.06490	0.9
201.12329	0.5
203.02744	6.9
204.03517	7.9
204.05426	0.5
205.04276	1.6
221.03798	28.4
222.04184	0.6
247.07207	3.2
267.04327	0.9
278.05951	6.1
306.05688	0.6
324.06488	100.0
324.82101	0.4
325.06793	2.7
408.12265	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	408.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64381	0.3
55.01847	1.0
55.05482	0.5
57.03423	0.4
57.98800	0.5
58.99294	0.4
58.99582	5.7
60.16198	0.4
61.01130	1.0
63.57412	0.4
67.05493	0.8
69.22844	0.4
69.36737	2.5
70.06579	0.8
73.01139	1.9
74.00621	0.5
74.02452	0.9
76.02197	0.6
79.05490	0.6
80.05015	0.6
81.03423	0.4
81.07034	0.4
85.02892	0.4
86.00648	4.9
86.99049	2.6
88.02206	2.1
93.07039	0.5
93.47173	0.4
95.04918	0.4
95.08562	0.5
97.01119	0.8
100.03971	0.8
101.01670	0.5
102.00108	0.5
106.06528	0.6
108.04478	1.0
111.04446	0.5
113.01691	1.4
116.01678	5.4
118.15776	0.3
118.94737	0.3
120.04460	7.3
121.02856	3.5
124.02155	1.5
128.03450	2.7
129.01172	0.6
131.02748	1.1
132.01160	0.4
132.04446	1.4
133.05217	1.5
134.00594	1.5
134.04904	0.5
134.06001	2.3
136.03906	4.0
136.06157	0.6
141.01141	0.9
146.06027	1.5
147.05499	1.9
148.03932	2.4
149.00551	0.5
150.05513	0.5
151.00885	0.5
152.01645	23.7
154.80150	0.4
157.00702	0.6
159.02243	4.1
160.00641	7.3
160.06281	0.9
161.04688	1.4
161.07175	0.4
162.02275	0.4
162.05524	0.5
163.05025	7.5
164.01634	0.6
171.05569	0.6
172.06320	0.6
173.07143	1.5
174.04182	0.5
175.04976	0.4
176.01640	1.1
177.02411	0.9
177.06583	0.7
177.99593	5.9
178.01903	1.0
178.03209	6.5
178.04958	1.2
187.01732	2.0
187.05038	0.4
190.05016	1.0
192.04785	1.5
193.04323	0.8
194.02715	1.4
195.02228	0.8
201.06586	1.3
203.02734	8.4
204.03510	8.5
205.04335	1.1
221.03787	30.6
246.11287	1.2
247.07086	3.5
263.76416	0.4
267.04407	0.6
278.05899	6.9
281.05789	0.5
294.06558	0.5
306.05420	0.8
324.06470	100.0
325.06805	3.2
390.11176	0.7
408.12195	13.1
409.12701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
57.07081	6.0
58.99592	4.8
59.05003	11.7
61.01132	0.8
65.03922	0.5
67.05504	0.8
69.38062	3.4
70.06569	0.9
73.01122	1.1
74.00624	0.5
74.02421	0.6
84.04492	0.5
85.06547	7.2
86.00661	2.9
86.99039	1.9
88.02219	2.9
91.05457	0.6
96.59025	0.4
97.01131	0.6
98.20805	0.8
100.03931	0.9
102.00102	0.5
104.01712	0.5
107.04907	0.6
113.01712	1.5
113.54958	0.4
116.01686	4.0
120.04455	5.4
120.32568	0.4
121.02869	1.8
124.02168	1.1
128.03423	1.7
129.04605	0.4
129.06981	0.6
129.99666	0.4
131.02730	1.4
132.01155	0.5
132.04437	1.0
133.05238	0.7
133.10159	0.4
134.00670	0.4
134.04842	0.4
134.06003	1.6
135.04323	0.5
135.86053	0.5
136.03923	2.4
141.01186	0.9
146.06021	0.8
147.05533	1.9
148.03923	1.3
150.05482	0.6
152.01648	13.1
153.01958	0.5
157.00648	0.7
159.02234	3.0
160.00630	5.9
161.07172	0.6
162.02194	0.5
163.05045	4.7
164.01678	0.7
173.07117	0.9
176.01668	1.3
177.99596	3.4
178.01987	0.6
178.03271	4.3
178.04811	0.9
179.02682	0.5
187.01718	1.7
187.03238	0.6
188.03926	0.7
192.04785	0.8
193.04318	0.9
194.02701	0.8
195.02252	0.6
202.01935	0.7
203.02715	6.9
204.03551	4.6
204.10228	1.8
205.04375	0.9
205.08730	1.0
219.02211	3.7
221.03802	18.7
233.03673	0.5
245.06226	0.9
247.07112	2.5
262.08588	0.7
262.11072	0.6
267.04657	0.5
270.08194	1.5
276.10541	0.6
278.06000	3.2
299.98721	0.4
305.09534	4.8
324.06473	11.0
325.06903	0.5
331.12802	1.3
351.09705	0.5
362.11572	2.2
390.11194	1.2
408.12234	100.0
409.12411	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3671
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05512	19.7
57.07067	12.6
60.11282	2.7
67.05499	25.8
69.07073	42.1
70.79156	6.7
71.08627	3.5
77.19286	3.2
79.05485	10.6
81.06587	5.5
81.07054	82.2
83.08618	19.3
83.82223	2.7
89.06036	2.6
91.05479	11.3
93.07043	26.2
95.08610	59.1
97.10178	7.0
105.07026	25.6
107.08588	38.3
109.10161	46.9
111.11723	3.7
117.07020	7.0
119.08585	25.7
121.10149	29.7
123.08099	2.8
123.11713	21.6
123.95789	3.2
131.08604	13.5
133.10120	22.6
135.11693	23.8
137.13243	11.9
143.08554	9.4
145.10100	27.1
147.11684	18.8
149.13272	14.6
157.10097	14.2
159.11699	26.4
161.13293	17.7
163.14835	6.4
169.10080	4.5
171.11697	11.8
173.13199	19.5
175.14772	13.5
177.16489	5.7
185.13322	9.8
187.14879	13.4
189.16420	9.3
191.17990	3.8
199.14854	11.4
201.16403	10.1
203.17970	11.5
211.14882	3.5
213.16367	12.3
215.17967	12.6
217.19502	3.9
227.17970	9.4
229.19597	11.8
239.18048	4.3
241.19586	4.4
257.22678	7.5
269.22769	5.3
283.24155	3.5
295.24222	4.2
297.25668	3.5
323.27283	3.4
325.28918	4.9
351.30460	6.1
407.36734	100.0
408.37167	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	407.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46146	1.3
55.05519	8.8
57.07064	3.9
67.05504	11.4
68.67322	1.1
69.07069	23.9
69.49344	10.8
71.08638	2.3
73.15429	1.2
79.05492	6.1
81.07059	45.3
83.08614	8.0
89.06018	1.4
91.05481	5.5
92.57731	1.3
93.07055	12.9
95.08609	36.1
97.10178	2.9
105.07029	11.5
107.08597	19.5
109.10155	33.6
111.11735	3.3
117.06998	1.8
119.08581	15.4
120.67146	1.4
121.10158	18.6
123.11702	14.2
131.08580	4.1
133.10129	12.2
135.11671	13.9
137.13271	9.0
143.08592	4.2
145.10138	11.5
147.11685	11.6
149.13278	12.2
151.14787	2.7
157.10178	4.5
159.11707	11.6
161.13245	9.9
163.14804	6.3
171.11722	4.7
173.13246	10.3
175.14857	7.9
177.16428	7.5
183.11696	1.7
185.13319	4.7
187.14771	7.8
189.16428	8.6
191.17993	4.8
197.13306	2.4
199.14847	4.6
201.16400	7.2
203.17960	5.2
213.16426	5.6
215.17909	7.9
217.19606	5.9
227.17981	4.7
229.19513	9.8
231.21169	3.1
241.19600	3.0
243.21184	3.3
253.19525	1.5
254.36357	1.6
255.21185	4.4
257.22696	6.0
269.22629	6.5
271.24353	3.6
283.24152	6.3
285.25833	2.7
295.24289	2.3
297.25919	3.8
299.27481	2.8
311.27365	2.7
325.28827	6.4
337.29010	1.4
339.30701	1.5
351.30551	3.8
365.32138	2.0
407.36792	100.0
408.36969	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	407.3673
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05511	9.3
55.49171	3.1
57.07064	11.0
60.38636	3.3
61.81584	3.6
67.05509	24.1
69.07079	23.5
70.30283	2.8
79.05477	9.8
81.07056	66.1
83.08620	11.5
88.77103	3.1
89.57980	3.0
91.05481	16.6
93.07043	28.3
95.05006	5.7
95.08612	100.0
97.10186	3.4
105.07023	24.1
106.14962	3.1
107.08598	35.0
109.10163	46.9
112.02973	3.4
117.07070	3.7
118.16187	3.4
119.08588	43.9
121.10147	31.0
123.11697	25.9
131.08562	15.6
133.10141	40.7
135.11710	24.0
137.13251	37.8
139.23650	3.4
143.08530	4.6
145.10077	22.2
147.11684	15.6
149.13280	11.9
151.14780	4.3
157.10133	5.5
159.11685	32.7
161.13315	17.5
163.14828	6.8
171.11705	7.3
173.13264	8.3
175.14847	7.9
177.16461	7.6
179.17955	4.8
183.11656	3.6
185.13257	12.9
187.14871	22.9
189.16409	10.1
191.17973	8.8
201.16388	10.8
203.17950	8.4
213.35895	3.8
215.18028	9.5
217.19603	7.8
227.17931	21.3
229.19576	7.9
230.72507	4.1
255.21011	9.6
255.94144	3.7
257.22617	7.6
269.22699	5.6
298.87167	3.4
344.52960	3.7
407.29306	11.7
407.36801	64.3
408.30026	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	407.3671
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
52.14878	1.9
55.05507	16.9
57.03422	2.2
57.07066	15.6
61.33003	2.0
67.05505	28.9
69.07074	25.9
69.50289	2.1
70.00163	11.0
71.08629	6.6
79.05488	16.3
81.07057	74.7
83.08634	18.5
85.10206	2.6
91.05471	14.9
93.07038	22.9
95.08609	100.0
96.08924	2.9
97.10175	9.0
98.20819	2.9
105.07040	26.6
107.08595	59.0
109.06563	4.1
109.10155	81.6
111.11739	3.0
112.99226	4.7
113.00014	73.7
117.07032	5.8
119.08578	45.4
119.09371	3.3
121.10142	40.1
123.11706	68.5
124.12061	3.0
128.15517	2.2
129.07047	3.2
131.08568	20.4
133.10138	28.9
135.11687	21.9
137.13260	36.0
137.14258	3.0
143.08594	9.4
144.09335	3.0
145.10127	28.9
147.11691	22.8
149.13249	19.3
151.14838	12.6
156.09291	3.0
157.10089	11.0
159.11674	22.0
161.13283	29.1
163.14821	12.5
169.02611	81.6
170.10941	2.6
171.11697	12.9
172.12375	3.0
173.13283	15.5
175.14848	15.2
177.16440	9.2
185.13251	17.9
187.14824	26.5
189.16458	8.7
191.17949	4.8
193.19574	9.4
199.14876	7.3
201.16400	13.9
203.18034	8.7
211.14780	3.0
213.16489	10.6
214.17035	2.3
215.17967	26.0
217.19464	3.9
227.18005	9.3
229.19594	5.8
231.21045	4.0
241.19585	7.8
243.21255	5.8
255.21208	8.1
257.22778	7.8
269.22638	5.8
273.25723	21.1
309.25870	4.2
318.82278	3.0
407.29059	4.9
407.36893	90.4
408.37283	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	407.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	10.3
57.07072	8.6
67.05506	20.9
69.07070	42.8
69.93776	8.6
71.08611	2.6
73.23558	1.7
78.57814	1.7
79.05501	12.3
81.07058	83.7
83.08627	18.2
91.05476	8.4
93.07040	25.3
95.08610	62.2
97.10160	5.6
97.58260	1.6
98.21437	2.6
102.09093	1.7
105.07034	21.3
107.08590	34.4
109.10157	45.8
111.11728	4.3
117.07030	4.4
119.08584	34.8
121.10141	31.3
123.11697	27.4
131.08546	11.0
133.10115	23.2
135.11678	26.8
137.13264	15.6
143.08559	6.5
145.10121	19.8
147.11690	26.3
149.13268	14.7
157.10112	12.6
159.11713	23.5
161.13251	17.0
163.14833	11.0
169.10202	2.5
171.11705	10.2
172.12378	1.8
173.13251	18.5
175.14886	14.0
177.16428	6.1
183.11664	3.2
184.23103	1.7
185.13286	9.0
187.14818	11.8
189.16422	12.3
191.17953	5.0
197.13066	2.1
199.14836	8.4
201.16383	13.0
203.17982	11.4
205.19482	2.3
211.14987	2.4
213.16412	10.4
215.17934	12.8
217.19579	6.5
225.16388	1.8
227.17897	8.3
229.19574	10.9
229.35162	1.8
239.17889	3.5
241.19579	5.2
243.21103	2.9
255.21124	6.1
257.22690	9.0
259.24176	2.0
269.22638	9.6
270.94308	2.1
271.24283	4.0
281.22641	2.8
283.24261	7.2
285.25589	2.0
295.24207	2.6
297.25912	5.0
309.25781	3.6
323.27609	2.1
325.28787	5.4
337.28894	2.3
351.30536	4.5
365.32043	2.9
407.36771	100.0
408.37228	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	407.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.4
57.07051	6.4
65.03922	2.7
65.10632	2.0
65.47474	2.2
67.05503	31.9
69.06720	2.2
69.07066	19.3
69.64412	3.9
69.64806	13.5
71.08607	2.5
76.85603	1.8
79.05064	2.0
79.05470	11.3
81.07056	32.9
83.08590	7.1
87.27624	2.0
91.05061	1.8
91.05481	18.3
93.06509	2.0
93.07049	32.4
95.08610	100.0
97.10125	3.7
97.61745	1.9
105.07039	26.2
107.08594	32.9
109.06476	2.5
109.10160	27.0
111.08067	4.4
111.11689	2.3
113.00013	39.9
117.06963	5.4
119.08571	40.1
120.08993	1.9
121.10147	26.6
123.11703	13.8
129.06941	3.2
131.08562	16.8
133.09248	2.7
133.10130	31.3
135.11693	20.3
137.13194	6.3
143.08511	8.7
144.09341	3.5
145.10129	30.6
147.11688	19.7
149.13217	9.3
157.10121	13.4
158.10764	2.7
159.11696	23.1
161.13286	14.1
163.14824	5.0
169.02614	43.1
169.10049	5.8
171.11743	10.4
173.13248	16.3
175.14845	13.2
177.16267	4.5
179.03314	5.0
183.11632	5.3
185.13264	10.9
187.14835	19.9
189.16418	11.5
191.17909	2.9
197.13190	3.8
199.14732	6.8
201.16362	25.8
203.17908	7.8
211.14804	5.2
213.16319	9.0
215.17990	10.1
217.19452	3.3
225.16441	4.6
227.18022	4.1
229.19429	5.3
237.16379	4.0
239.17957	2.9
241.19371	3.9
243.21039	4.6
251.17871	2.3
253.19452	4.5
255.20915	5.7
257.22607	4.8
267.20685	2.3
269.22565	6.7
271.20624	2.3
281.22650	2.4
283.24002	2.2
285.21945	3.2
293.22406	2.8
313.25198	2.2
321.25555	3.6
389.31750	8.1
407.32828	84.3
408.33197	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	407.1852
Annotation	CHEBI:68375
Peak:m/z	Relative Intensity
53.89107	0.4
55.01867	0.6
55.05503	1.3
55.54828	0.4
57.07077	0.6
59.25919	0.5
67.01859	0.5
67.05488	1.6
68.99790	3.0
69.03443	0.6
69.07072	4.5
76.84443	0.4
79.05498	2.9
81.03423	0.9
81.07047	9.4
82.81714	0.4
83.05032	0.6
83.08586	0.7
91.05472	2.6
93.07038	3.3
95.04956	1.0
95.08609	3.5
98.21587	0.7
103.05451	0.6
105.07043	3.3
107.04934	0.8
107.08580	2.4
109.06516	11.4
109.10124	1.5
111.00838	0.6
113.00027	0.9
115.05457	0.7
117.06992	1.9
119.08559	2.2
121.02880	0.9
121.06489	1.0
121.10133	2.0
123.08069	2.6
123.11666	0.6
128.06244	0.5
129.07016	0.7
131.04890	0.9
131.08531	1.5
133.06499	1.0
133.10139	1.3
135.04431	1.5
135.08026	0.8
135.11702	1.4
139.00230	0.8
145.06450	2.7
145.10115	1.8
147.04440	1.0
147.11642	0.6
148.05228	0.6
149.02345	1.7
149.05962	1.8
149.13235	0.6
151.07527	0.9
152.18304	0.5
153.01836	6.0
153.05455	1.2
157.10136	1.6
159.04396	1.6
159.11664	1.1
161.13205	1.4
163.03922	0.9
163.07513	1.3
165.01814	2.4
167.03398	2.5
171.02898	1.3
171.08145	0.6
171.11728	0.7
173.05975	1.9
173.13246	0.8
177.01836	12.4
177.05447	5.2
179.03391	3.0
183.02872	1.9
185.13257	0.6
187.14796	1.4
189.09067	0.8
189.16353	0.6
191.03358	1.1
191.07033	2.0
191.18051	1.0
195.06537	3.0
195.08034	0.7
197.09601	0.7
197.13298	0.5
199.11223	1.1
201.05423	2.7
201.16368	0.7
203.17862	0.6
204.04234	1.3
213.09094	1.4
213.16515	0.6
215.10608	0.8
215.18019	0.6
217.19809	0.5
219.06516	100.0
220.06880	2.7
237.07565	5.6
245.08095	1.9
259.09644	1.1
281.15234	0.6
284.18207	0.5
300.14944	0.5
305.11404	0.6
309.11163	0.6
333.11353	5.7
333.15088	1.4
339.12231	1.3
351.12238	10.9
365.17331	1.0
407.18466	36.3
407.33020	2.0
407.37183	1.2
408.18689	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	407.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01867	1.9
55.05489	1.6
57.01720	1.0
57.03427	1.1
65.03924	1.6
67.05483	1.9
69.03423	3.9
69.07064	2.4
69.24657	0.9
69.70306	4.4
69.70722	2.2
70.06592	6.6
71.04978	2.2
72.08134	2.5
78.06818	1.0
81.03404	4.4
81.07029	3.0
83.04974	1.3
84.04472	1.8
84.08137	12.0
85.02908	4.7
86.09687	4.7
87.00806	1.6
91.05483	2.1
92.05007	2.0
93.07024	2.3
94.06525	1.8
95.04951	3.3
95.08609	2.2
97.02866	2.8
97.06518	1.5
99.04501	1.3
104.05004	1.0
105.07044	1.9
107.08575	4.8
108.04498	2.0
109.02866	3.9
109.06528	1.1
109.10147	1.4
110.06032	2.3
110.09672	1.0
120.04453	6.2
120.08089	5.9
121.02869	6.1
122.03206	2.6
122.06030	1.1
124.04000	1.8
124.07600	1.0
125.09617	8.4
127.03905	2.8
129.10214	6.7
130.06511	1.1
138.05489	6.9
138.09143	2.9
145.04878	1.1
146.05968	1.1
148.06364	1.0
152.06995	2.1
154.04993	2.3
158.05969	1.5
162.05484	1.6
168.06593	1.2
172.07523	1.3
174.05428	1.7
177.33615	1.1
178.04950	11.5
184.07561	1.3
188.03410	9.1
196.06015	6.9
199.08694	3.6
200.06995	1.4
206.04439	3.2
211.08694	1.6
213.10260	3.0
223.08632	6.5
224.09251	1.6
225.10135	2.7
227.08191	14.6
228.06480	1.8
228.10155	3.6
229.09715	3.6
237.10239	14.8
238.10884	1.3
239.11771	5.8
241.09737	16.4
242.10358	1.3
243.07663	1.3
243.11308	2.0
245.09244	5.3
246.07593	9.2
246.11362	2.6
251.08141	15.0
253.09753	2.1
255.07645	9.9
255.11220	7.0
257.09137	1.8
257.12979	1.2
260.11453	1.4
265.09723	14.4
266.10388	2.9
267.11255	5.2
268.09476	2.7
269.09201	39.8
270.09497	2.4
271.10687	4.7
273.08694	11.7
279.07632	21.1
280.08173	2.4
283.10773	9.1
284.08942	2.0
285.12454	3.2
287.10223	3.4
293.09174	27.1
295.10712	1.8
297.08698	56.0
298.08963	2.6
299.10199	2.2
301.11880	3.5
302.10065	1.7
307.11694	1.1
311.10278	8.1
313.11935	5.6
314.10211	1.7
315.09769	25.2
315.13358	2.1
316.10294	3.0
317.11282	5.0
319.13107	2.2
321.08630	13.7
325.11844	8.7
329.11444	7.1
331.12799	2.3
333.10800	21.3
334.11121	1.6
339.09772	34.5
343.13132	8.0
345.10669	4.1
347.12283	3.2
357.10864	13.4
358.09308	1.4
361.13968	2.0
371.12338	21.4
372.12668	1.5
375.11942	8.1
376.12393	1.3
379.14804	1.4
389.13422	100.0
390.13794	6.9
407.14325	24.5
407.18866	1.7
407.26794	1.7
408.15405	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40369	1.3
65.03935	1.8
67.05497	1.8
69.03400	2.7
69.71651	2.9
69.72066	6.3
70.06577	5.6
71.04967	2.1
72.08173	2.7
81.03403	2.8
83.04959	2.3
84.04491	1.6
84.08149	3.2
85.02883	2.4
86.09700	10.9
93.06984	1.7
95.04974	2.4
99.04439	1.7
100.51868	1.6
107.08555	3.0
108.04473	2.1
108.08141	1.6
120.04456	5.8
120.08089	5.4
121.02840	2.9
125.09655	5.0
138.05476	5.3
139.63174	1.9
142.08711	1.6
147.61412	1.8
151.41008	1.6
152.07050	2.7
154.04938	2.7
157.20544	1.5
159.84740	1.6
162.05466	3.0
167.07022	3.0
178.04953	8.9
188.03467	9.4
191.08215	5.0
196.06035	5.8
196.07675	1.7
199.08592	4.4
204.00592	1.7
206.04521	2.9
207.47437	1.3
213.10260	3.5
214.08586	2.6
215.61594	1.9
223.08678	5.3
224.07166	1.4
224.09317	1.9
225.10153	2.0
227.08118	14.3
228.08655	2.1
229.09674	1.7
237.10204	13.1
238.08646	3.6
238.10927	2.7
239.08298	1.8
239.11801	4.2
241.09735	14.5
242.10258	1.8
245.09195	4.5
251.08154	13.5
255.07664	9.5
255.11313	3.5
265.09763	14.5
266.08090	3.1
266.10532	2.0
267.11292	4.7
268.09598	4.4
269.09192	38.4
273.08664	15.9
279.07703	16.7
280.08054	1.5
283.10742	6.6
284.09149	6.1
285.12192	2.3
287.10101	2.3
293.09238	19.8
295.10788	5.3
297.08691	53.6
297.11816	1.9
298.09082	4.7
301.11877	2.1
302.10236	1.7
307.12851	2.4
311.10278	7.1
312.08560	4.3
313.11856	7.2
314.10196	4.1
315.09726	29.1
316.10275	2.4
321.08646	12.0
325.11807	6.2
329.11243	7.0
330.09583	2.7
333.10767	19.9
339.09711	37.5
343.12909	7.2
347.12381	2.6
357.10867	19.9
358.09171	4.2
371.12396	20.8
375.11847	17.0
383.05099	1.5
389.13394	100.0
390.13174	7.9
407.14523	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	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01867	3.9
55.05506	8.2
57.03431	5.1
61.02921	3.8
64.74902	1.6
67.05508	9.0
69.03426	12.6
69.07066	9.4
70.06593	27.9
70.67963	2.2
70.68312	4.6
71.04984	12.3
72.08164	2.2
72.56328	1.6
73.02890	2.3
74.90122	1.7
79.05486	9.3
81.03424	8.9
81.07056	18.3
83.04967	7.3
83.06104	3.0
83.08621	4.1
84.04495	3.3
84.08115	4.9
85.02383	2.1
85.02902	40.5
85.06528	3.5
86.09717	9.6
87.04453	2.5
91.03963	2.6
91.05484	5.8
93.07039	17.3
94.52279	2.0
95.04958	4.6
95.08617	17.4
97.02877	11.5
97.06507	5.9
97.10165	8.6
99.04459	5.8
105.03400	2.6
105.07042	8.8
107.08588	31.6
107.26471	1.7
109.02859	4.5
109.06510	4.6
109.10152	13.6
110.07175	9.0
111.08064	6.3
113.53376	1.7
115.07546	2.8
117.07029	4.4
119.08582	6.7
120.08099	5.6
121.02812	2.0
121.06483	6.0
121.10114	18.4
122.06059	2.5
123.08031	3.2
123.11718	5.9
125.09625	15.7
127.03933	6.9
127.12215	1.8
130.05067	2.2
131.08562	8.9
133.10130	15.0
135.04367	4.6
135.08014	9.0
135.11679	6.7
136.07571	15.8
137.09615	2.7
139.07504	2.2
139.11191	2.4
145.04938	8.0
147.04443	3.2
147.11668	6.3
149.09596	9.3
149.13269	6.1
151.11142	6.9
153.09122	6.8
156.07660	5.1
162.05464	1.9
163.14816	13.0
164.07126	5.3
173.13252	21.5
175.03989	3.5
177.05347	2.0
178.04939	2.1
186.09120	1.8
188.03320	2.0
191.14310	36.3
203.07077	2.9
209.15364	61.2
227.16415	100.0
228.16786	2.8
245.08020	3.5
251.08163	2.3
255.11327	2.3
259.11093	4.1
269.09265	4.3
283.10843	4.8
284.09085	2.5
293.09271	2.7
295.10614	3.7
297.08621	5.0
311.09872	2.8
339.09723	7.0
357.10797	5.7
358.87543	2.4
375.11923	5.4
379.11603	2.3
389.13687	12.5
389.22171	2.4
406.09973	16.4
406.14890	3.6
407.10693	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.3
53.03946	2.4
55.01862	2.4
55.05499	2.6
56.05038	1.9
57.03436	4.2
58.99580	3.2
59.26162	1.4
60.04520	2.3
61.02907	1.4
67.05500	5.2
69.03435	6.5
69.07079	4.1
70.06593	44.3
71.04992	5.3
71.06920	1.2
72.08162	3.3
76.02227	5.4
79.05489	5.0
80.05026	1.9
81.03418	28.8
81.07051	7.6
83.05000	2.2
83.08620	6.1
84.04500	6.0
84.08144	6.0
85.02924	8.7
85.06531	2.3
86.09703	4.9
86.99059	1.8
88.04030	1.3
91.05479	5.0
93.07047	3.6
95.04968	10.9
95.08638	3.2
97.02898	4.0
97.06532	2.1
98.09706	2.1
99.04445	3.8
99.08092	2.1
102.05553	1.6
105.03390	1.9
105.07036	3.5
107.04951	8.8
107.08605	1.6
109.02845	2.6
109.06493	2.1
109.10149	1.7
110.03181	1.4
110.07154	1.4
111.04449	1.8
111.08086	2.5
111.75510	1.3
112.04027	1.3
112.07623	2.3
112.08710	1.5
116.01717	2.9
117.07017	4.0
119.08627	3.7
120.08136	2.8
121.06499	2.0
121.10139	1.7
122.02724	8.7
123.04403	2.6
124.05161	1.4
124.07563	2.0
127.03920	3.9
129.07033	1.4
130.05014	2.0
130.08658	1.3
131.08569	2.2
133.10130	2.2
136.07582	11.9
147.11696	3.0
149.09631	3.9
155.06987	1.9
156.08351	2.7
157.10020	2.0
158.12605	1.8
162.02293	3.0
162.05553	2.0
166.08624	2.2
167.07042	100.0
168.07430	2.0
173.13202	1.3
175.11157	3.3
177.05464	3.4
177.09090	11.1
178.07607	1.4
180.06871	2.0
193.12262	19.9
209.08226	1.5
209.11751	24.4
211.13345	2.1
227.03337	1.2
227.12859	13.8
244.09981	1.8
259.11108	13.9
262.89676	1.5
267.13120	1.5
267.15942	10.1
274.12766	1.5
285.17044	4.1
317.11218	1.4
356.19901	2.4
356.70007	1.6
388.18243	1.8
389.13358	6.3
407.14474	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	406.164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61718	0.6
55.01862	2.7
55.05502	1.7
55.60688	0.7
56.05038	5.1
57.03447	4.5
58.99584	9.1
61.01132	0.6
68.05017	1.4
69.07037	1.5
69.20033	6.2
69.20360	0.7
70.02931	0.9
70.06583	1.4
73.01134	1.5
74.00659	1.1
76.02231	19.7
76.03998	2.5
79.05492	3.3
80.05019	1.0
81.07056	16.0
83.06078	1.9
84.04503	24.0
84.08135	0.5
85.01119	2.5
86.00655	3.9
86.99049	6.7
87.02696	5.7
88.02208	1.7
93.07040	0.6
95.04961	1.0
95.08603	3.2
96.08130	0.8
97.01117	0.9
97.06523	2.0
98.09107	0.9
98.09699	12.0
99.05587	0.6
99.08094	5.3
100.02241	0.6
102.05541	4.9
105.07017	1.2
110.09672	1.9
112.03974	3.2
112.07582	1.1
113.04218	5.5
114.05584	0.7
115.05835	1.4
116.01682	21.0
122.09693	0.9
123.04501	0.6
123.08122	0.8
127.05785	1.4
129.06589	4.0
129.07426	1.0
130.05002	6.9
130.06885	5.5
130.08591	1.7
139.05739	1.8
142.03230	2.1
143.02751	1.0
144.01149	8.5
145.05997	1.1
153.39960	0.6
156.08418	18.9
156.10193	13.4
157.06831	8.8
162.02205	23.6
170.02702	1.1
174.09489	13.9
174.10982	0.8
179.04858	9.5
184.07967	0.7
189.03279	1.9
210.11287	2.0
216.06895	6.1
233.05833	1.6
242.08542	1.1
245.05966	0.9
259.11118	100.0
260.09131	0.8
260.11716	3.0
277.12128	0.9
285.12723	1.7
308.09140	0.8
313.12100	4.2
331.13324	6.4
331.53705	0.6
343.13074	0.8
388.15268	1.8
406.16202	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	406.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	35.1
57.03448	5.0
57.36205	4.3
59.89938	4.5
63.43772	4.9
65.71617	4.4
69.03418	12.7
69.21069	50.6
70.06596	13.2
72.08153	6.9
81.03375	6.4
84.04497	7.8
84.08142	15.2
84.96059	6.4
85.02892	21.3
86.06065	6.7
87.55617	5.2
93.07003	7.5
95.04964	6.8
97.02876	12.6
98.21545	9.3
98.97590	32.5
101.00911	7.4
101.58964	4.8
105.03395	21.3
105.07031	4.5
107.08607	4.6
110.97652	6.4
116.07095	8.0
116.98627	17.0
119.01910	16.2
119.04932	8.9
119.08509	10.2
121.06528	6.3
127.03871	7.5
128.98613	10.8
134.99648	9.6
135.11641	6.7
137.02937	5.6
143.00117	9.9
143.01863	6.4
145.03583	7.0
146.99603	7.5
147.04369	10.7
155.05566	4.8
158.99586	11.0
161.02946	8.6
161.06517	4.7
169.07141	9.2
173.06624	5.7
177.00717	10.4
177.12735	7.0
185.06595	14.8
186.04640	5.0
187.08133	9.9
189.00653	7.1
195.05042	5.3
195.08629	9.9
199.08145	7.4
201.00743	7.1
201.09682	11.2
211.08128	6.9
213.06018	6.8
213.09756	20.7
217.10837	5.1
218.95111	5.8
219.01784	6.8
221.10172	6.5
225.09624	8.1
227.11243	6.5
233.10292	13.3
235.11810	22.0
237.02768	9.5
239.11374	8.6
241.05513	6.3
251.11278	80.5
253.12883	89.0
260.09894	8.9
261.09927	7.4
267.00232	8.2
269.12366	40.1
271.14050	12.4
274.13000	8.6
277.12964	12.7
279.07629	9.4
279.10855	18.4
292.14017	10.9
295.13876	26.0
297.11838	77.3
303.01682	6.3
315.12872	100.0
315.16531	5.3
320.13480	8.1
338.14438	13.0
339.12933	8.9
365.10736	16.1
383.11765	14.7
406.13446	17.9
415.52771	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	406.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39642	2.0
53.03923	2.6
55.01875	10.7
55.05517	2.3
56.05030	8.6
56.96563	67.5
57.03435	31.1
58.06588	2.3
59.04986	3.2
60.04519	5.4
60.05642	3.9
61.02925	17.7
67.05490	2.1
68.05024	5.5
69.03071	3.9
69.03427	38.1
69.07057	2.3
70.02953	2.2
70.06591	42.7
70.40573	5.1
70.59025	2.2
71.01365	4.0
71.04996	10.6
71.06918	2.0
72.04501	7.3
72.08159	35.8
73.02925	28.2
74.06072	7.4
74.97630	2.4
75.04457	3.0
81.03427	14.8
81.04539	5.9
82.06579	5.1
83.04979	3.3
83.06066	2.1
84.04507	4.7
84.08144	100.0
84.96027	13.3
85.02908	69.5
85.06543	2.7
86.03214	2.3
86.06072	12.1
86.09688	5.2
87.04462	8.4
91.03963	3.6
91.05470	6.1
95.04967	3.5
95.06072	3.9
97.02301	3.2
97.02894	41.7
97.83902	2.6
97.99182	3.3
98.03252	3.1
98.06066	3.1
98.09694	2.8
98.96935	4.9
98.97582	95.3
99.04453	7.6
100.07611	3.7
101.00822	4.8
101.06010	2.7
102.05540	3.7
102.96957	1.9
103.03899	2.5
105.03421	2.7
107.04923	4.6
109.02901	10.2
110.01283	4.3
110.06026	3.0
110.07142	14.8
110.09676	6.7
110.97556	20.1
112.05092	50.1
112.07613	2.8
112.08740	2.6
112.99142	14.7
113.03493	6.4
114.05534	2.2
114.09182	5.0
115.03942	7.5
115.08710	3.0
116.00227	5.9
116.07102	3.1
116.98624	61.6
119.01875	18.7
119.04962	4.0
121.06473	6.1
124.07552	3.5
124.99133	3.0
125.03587	3.3
125.51913	2.6
127.00694	2.5
127.03907	20.4
127.04963	5.3
128.02327	5.5
128.04259	2.4
128.07065	4.3
128.10722	4.0
128.98592	32.2
129.10243	20.3
130.04979	3.6
130.06512	6.8
130.08659	6.6
131.00183	22.7
131.01866	10.6
132.04430	3.0
133.01715	5.2
133.03453	8.4
133.04988	5.9
134.01268	4.9
134.99658	25.4
136.07570	14.0
137.02902	3.4
138.05513	2.4
138.06558	2.4
140.00179	3.0
140.02325	4.6
140.07063	5.4
140.98584	2.8
142.01695	3.0
143.00174	11.4
143.01848	4.8
145.01700	5.0
145.03474	5.9
145.04964	8.5
146.08066	17.4
146.99655	28.3
147.03244	2.9
147.05174	3.7
147.11270	3.2
148.07573	2.5
149.01244	15.6
149.02882	5.4
149.05920	2.9
152.02299	3.2
152.04555	2.2
152.05678	8.2
152.07066	3.5
152.98579	5.0
153.03093	3.4
154.01666	2.1
154.03683	3.2
154.05017	3.9
155.00044	2.2
155.01862	6.1
155.02953	4.3
156.04993	2.1
156.06534	4.2
156.07710	6.3
157.03473	3.8
157.07593	9.0
158.01283	3.0
158.05974	3.5
158.08080	11.1
158.99655	25.4
159.05093	6.1
160.02814	2.7
160.08165	6.6
161.01218	21.9
161.02922	9.8
161.04518	3.8
162.99080	4.3
163.02968	10.5
163.04245	10.8
165.00751	4.0
167.07062	15.9
168.06305	10.5
169.04465	9.9
170.05145	5.0
170.99638	15.6
171.05064	5.0
172.02774	4.9
172.50874	2.5
172.94373	4.5
173.01228	13.8
173.02933	11.0
174.03046	2.6
174.04404	4.1
174.11317	3.7
175.02762	8.4
175.04352	3.1
175.08685	4.2
175.11887	4.7
176.03371	5.3
177.00731	33.2
177.04216	9.2
177.05627	4.5
178.04961	16.3
178.09038	5.1
178.55092	2.6
179.02278	4.3
181.03810	2.9
182.03371	6.5
182.99733	3.5
184.02803	6.2
184.04984	3.5
185.01212	2.8
185.02762	2.2
186.04556	2.9
186.06178	3.7
186.99081	2.6
187.02797	6.0
188.02197	4.2
189.00703	20.4
189.06032	5.2
190.03853	5.3
190.95354	4.3
191.02278	9.2
191.03935	12.9
193.03830	7.9
193.05554	2.4
196.04471	2.6
198.04424	5.8
200.02454	2.5
200.04330	6.3
200.05992	2.6
201.00679	15.6
201.06059	5.8
202.03844	11.7
203.02264	7.2
203.03946	4.2
205.03746	7.1
206.03171	3.2
207.01785	2.9
208.04897	3.6
208.09737	2.6
209.03195	2.7
211.04814	2.6
212.02448	4.4
214.03787	4.4
214.95496	2.7
216.08698	3.9
217.03905	4.3
218.94699	3.3
219.01770	52.0
219.07166	3.1
220.04913	9.7
221.03204	3.4
221.05084	12.3
223.04822	4.8
224.02391	2.9
226.03836	3.7
226.10744	9.3
227.02303	4.1
227.04878	2.5
227.13963	3.5
230.07098	4.9
231.01691	2.5
231.07263	2.4
232.04881	4.6
232.96486	7.2
235.06577	15.4
235.99931	2.5
237.02817	86.6
238.03195	5.3
241.58258	4.9
242.03329	5.7
242.07251	15.3
243.05945	2.9
244.04747	4.2
244.11774	4.6
244.16470	6.7
245.05090	5.7
248.05463	9.5
248.99196	4.5
249.06493	2.5
250.07042	7.8
250.57408	2.6
250.97624	3.9
251.04350	10.0
253.12839	5.3
255.03882	8.6
256.58661	8.1
257.05984	33.5
257.08612	5.5
257.56134	4.6
258.06659	11.2
258.09592	3.0
260.04395	4.5
260.07956	2.6
260.10370	6.9
261.02893	7.9
261.08252	10.7
262.06030	3.2
263.06143	12.5
263.08456	2.4
265.07718	11.5
265.57449	3.4
266.06537	3.3
269.05493	3.8
271.08621	2.8
271.14218	2.8
272.06512	25.2
272.56717	3.5
273.08017	2.6
274.05896	2.6
274.64481	6.7
276.10928	3.0
277.05881	10.6
277.57211	3.4
279.03870	9.7
279.09140	7.1
287.08896	8.3
288.09686	4.1
291.09174	8.0
292.09454	2.6
293.05377	10.8
295.06967	34.3
303.09872	2.6
306.11136	3.4
307.06943	6.5
309.04825	3.2
309.10245	2.6
316.09357	13.6
319.08844	2.4
321.10165	8.1
322.75165	2.3
325.09784	15.7
331.09491	4.4
333.11746	2.4
337.07999	8.3
340.10239	7.1
346.08151	6.9
347.06717	5.3
355.09018	6.2
364.08954	3.5
365.07574	4.2
367.09113	5.9
370.19562	2.5
374.11374	2.6
388.12766	2.7
388.20288	13.2
389.18817	2.8
397.11163	4.9
406.10303	11.9
406.14233	29.2
406.21646	41.6
406.63235	3.6
407.04892	6.7
407.09558	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	405.3729
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05518	6.7
57.03427	1.3
57.06837	0.9
57.07081	11.7
58.71247	0.9
60.95720	1.1
67.05504	2.3
69.03394	1.1
69.07071	9.7
71.08643	5.5
71.51317	1.0
71.51810	1.1
72.76583	0.9
79.05489	1.4
81.07055	3.8
83.01340	8.1
83.08627	7.3
85.10186	2.4
85.17779	1.0
93.07037	4.5
95.08606	4.1
97.06530	2.8
97.10162	4.2
107.08588	4.2
109.06536	1.4
109.10212	1.2
111.08089	4.1
112.70688	0.9
121.10141	2.7
123.08060	3.0
124.40179	0.9
125.05961	5.3
125.09618	4.2
127.07572	3.6
135.11696	1.7
137.09601	1.3
139.07553	22.7
139.11195	3.0
151.11186	3.4
153.09082	4.7
153.12721	2.2
155.59659	1.1
157.48404	0.9
159.11713	1.0
162.61394	1.0
165.12738	1.6
167.10709	6.3
167.14328	1.8
173.13293	1.0
181.12250	8.7
195.13828	10.3
209.15425	5.8
223.16933	3.6
237.18462	2.4
251.20097	2.8
265.21664	2.1
279.23157	1.7
313.26010	1.0
321.27969	1.2
335.29379	1.6
349.31433	1.6
387.36124	2.3
405.37286	100.0
406.37637	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	405.3515
Annotation	4,4'-Diapo-zeta-carotene
Peak:m/z	Relative Intensity
53.03938	2.1
55.05509	15.1
57.07066	5.8
65.03940	2.4
67.05502	21.2
69.03429	1.6
69.07072	20.5
71.52250	1.8
79.05492	21.4
81.03403	1.8
81.07058	50.7
83.08621	11.7
91.05484	26.3
93.07048	39.2
95.04983	3.3
95.08609	48.5
97.10178	6.0
102.04980	1.6
105.07028	46.4
107.08592	47.8
109.10157	28.9
115.05470	1.8
117.07018	11.3
118.03059	1.3
119.08582	45.7
121.06480	1.5
121.10151	36.1
123.08042	1.5
123.11707	10.9
128.06219	2.0
129.07016	6.1
130.07707	2.0
131.08568	29.9
133.10135	33.9
135.11688	16.7
137.13242	3.1
141.07048	1.6
142.07750	2.8
143.08606	10.0
145.09055	2.7
145.10126	32.4
147.11685	27.6
149.13300	9.0
155.08560	3.9
157.10121	12.6
158.10916	3.0
159.11697	27.5
161.13245	18.5
163.14807	7.6
169.10182	6.3
171.11693	9.2
173.13252	15.5
175.14842	19.5
177.16383	6.1
181.10185	2.0
183.11720	4.6
185.13254	9.5
187.14790	13.3
188.01277	1.2
189.16360	11.3
191.17964	2.2
195.11688	1.9
197.13284	6.0
199.14828	10.0
201.16367	45.1
203.18007	9.3
208.12337	1.3
211.14830	3.5
213.16467	8.0
215.17938	20.8
217.19524	1.8
224.91701	1.2
225.16415	3.6
227.17947	6.3
229.19537	7.4
239.18015	2.6
241.19572	6.0
243.21164	5.8
251.17973	1.7
253.19542	2.9
255.21053	4.1
267.21008	1.7
269.22662	3.8
279.21124	1.7
281.22607	4.0
283.24405	3.4
293.22687	1.8
293.39810	1.6
295.24258	2.9
297.25970	1.8
309.25891	2.9
321.25763	2.6
323.27298	3.0
326.11993	1.4
335.27341	4.2
337.28922	4.5
349.28867	5.1
363.30365	2.9
405.26352	4.4
405.35196	100.0
406.35333	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	405.2119
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
53.03940	6.4
55.01865	8.6
55.05507	21.2
56.05035	4.2
57.03439	10.6
57.53639	2.1
58.99588	3.7
59.04992	2.5
59.07503	1.8
60.04533	5.3
61.02921	7.4
67.05506	11.7
69.03428	35.7
69.07077	14.4
70.06590	52.9
71.01359	2.1
71.04981	27.2
71.52797	2.5
72.08154	10.9
73.02901	5.4
74.06038	2.2
76.02225	7.2
77.65211	2.3
79.05495	14.6
81.03416	53.7
81.07048	23.1
82.06562	2.6
83.04978	8.6
83.06115	3.7
83.08607	9.2
83.92005	2.5
84.04512	13.0
84.08144	33.5
85.02905	69.5
85.06537	8.7
86.09705	24.7
86.99072	2.6
87.00830	5.0
87.04472	2.9
91.03944	5.1
91.05470	14.0
93.07043	18.8
95.04960	14.2
95.08607	11.0
96.04473	3.8
97.02894	26.7
97.06533	13.5
98.06076	2.9
98.97595	4.4
99.04462	43.4
99.08096	7.7
99.51950	2.2
101.06019	13.0
102.05574	3.6
103.03949	5.0
105.01865	3.6
105.03393	35.2
105.07019	10.2
105.15909	2.6
107.04942	8.1
107.08598	10.6
108.08133	4.5
109.02856	15.9
109.06516	6.7
109.10139	6.1
110.06039	4.2
110.07181	3.9
111.04440	4.1
111.08073	17.7
112.07603	3.6
115.03893	2.5
117.05505	26.5
117.06936	1.9
119.04926	3.7
119.08592	11.3
120.08099	8.2
121.06527	2.7
121.10167	17.7
122.02724	5.7
123.04436	5.3
123.08064	4.7
123.11718	3.9
124.07574	4.3
125.06001	2.7
125.09640	5.9
126.09175	3.8
127.03912	35.7
127.07529	16.1
127.09448	2.5
128.07066	2.5
128.37375	2.2
129.05469	3.5
129.07011	4.4
129.10222	7.7
130.04994	2.2
130.06583	2.7
130.08694	2.3
131.08585	6.0
133.06465	3.4
133.10129	7.0
135.11676	8.3
136.07561	11.3
137.02280	2.4
137.09604	4.0
138.09137	7.9
139.07529	12.4
139.09511	4.2
139.11176	38.7
140.05264	6.9
144.01137	2.7
144.06554	7.2
145.04970	23.2
145.06554	2.3
145.10117	6.5
147.04404	4.0
147.11693	4.1
149.09592	4.1
153.05508	2.5
153.12738	12.0
156.08444	3.3
156.08891	2.9
156.10208	35.0
157.08646	5.3
157.10571	28.5
157.12212	11.9
158.06302	4.9
159.09171	5.0
160.07527	2.4
161.09312	4.4
161.13156	2.8
162.02234	4.7
162.09154	5.0
163.11171	8.2
167.07027	9.8
173.01253	2.7
174.09305	3.3
175.03925	5.8
175.11165	3.9
177.00670	2.6
177.05490	3.0
179.06952	3.5
181.12184	21.7
185.07100	2.4
189.12724	3.0
191.02229	2.5
191.06911	2.8
193.05013	5.9
193.12215	23.2
199.13301	100.0
201.12508	2.7
207.06511	6.3
207.13788	4.8
218.08040	3.0
225.14807	5.3
234.99011	2.5
249.07600	5.2
259.11166	11.5
267.08646	7.7
267.15891	17.5
272.17526	3.0
285.07690	2.9
285.16928	6.0
325.16434	2.7
387.15311	5.6
387.28519	5.5
405.11752	3.2
405.16455	7.8
405.29410	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	405.1696
Annotation	Euchrenone a1
Peak:m/z	Relative Intensity
55.05518	0.6
59.94729	0.5
66.06007	0.4
67.05492	1.4
68.99783	2.2
69.07066	0.6
70.45910	0.4
71.54369	0.6
71.54809	0.8
78.66225	0.5
79.05475	1.5
81.03423	0.8
81.07061	7.0
83.04987	0.6
83.08632	0.5
83.35781	0.5
91.05460	1.6
91.72476	0.5
93.07027	2.4
95.04958	0.7
95.08627	2.7
105.07029	2.4
107.08574	1.1
109.06527	7.7
109.10125	1.5
110.59134	0.5
117.06981	0.8
119.08571	1.2
121.06553	0.9
121.10148	1.0
123.08043	1.3
123.11774	0.6
125.01202	0.6
131.08620	0.6
133.10135	0.9
135.04388	1.2
135.11687	1.1
143.08563	0.6
145.06468	2.3
145.10109	1.2
147.11687	0.7
149.02376	1.4
149.05992	1.6
151.07452	0.6
157.10078	0.7
159.11673	1.2
161.13266	1.0
163.03934	0.6
163.07582	0.8
165.01863	1.9
167.03412	2.0
173.05980	1.6
173.09618	0.7
176.04677	0.7
177.01826	11.6
177.05463	5.0
179.03387	0.7
183.02850	0.7
187.14813	0.7
191.03340	1.2
191.07001	2.4
195.06511	3.3
195.08034	0.7
201.05501	3.1
201.16431	0.9
203.03343	0.5
204.04205	0.9
213.05577	1.1
213.09134	2.2
219.06528	100.0
220.06845	4.0
229.19385	0.6
237.07542	3.7
245.08127	1.7
260.78595	0.5
363.15759	0.7
405.16953	45.0
405.31079	1.5
405.35428	2.0
406.17407	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	405.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.05514	1.0
60.04512	1.0
67.05499	1.8
69.03426	2.6
69.07063	0.8
70.06597	3.4
70.40833	2.3
71.05009	0.8
72.08165	0.8
73.16893	0.8
77.67331	0.6
79.05479	2.6
80.05012	1.3
81.03414	2.6
81.07053	2.3
82.06576	1.1
83.04995	0.9
85.02898	1.4
85.06545	0.8
86.09705	1.9
86.99044	0.7
91.05500	3.6
93.07052	7.0
94.06550	4.8
95.04987	1.6
95.07361	5.7
95.08624	1.5
96.08124	10.7
97.06525	2.1
99.04446	0.9
103.05474	1.6
105.03389	1.4
105.06989	1.7
106.06570	1.1
107.07333	0.9
107.08575	1.3
108.08121	7.0
109.02872	1.6
110.09679	19.4
111.08070	1.4
119.08534	1.5
120.08107	48.6
121.06537	1.7
121.08932	8.5
121.09737	0.9
121.10139	1.2
122.02341	1.2
122.09700	1.1
123.06817	1.5
124.03961	0.9
124.07590	5.7
127.03875	1.2
131.07323	1.2
131.08545	0.9
133.10150	1.1
136.07523	3.6
137.05965	1.7
138.09142	100.0
138.42993	0.7
139.09492	2.1
145.10159	0.8
146.06006	0.7
146.09656	3.3
147.04419	0.9
147.11696	0.8
148.03922	4.7
148.07544	4.4
149.05991	0.8
149.08347	1.5
149.34946	0.8
149.36249	0.7
151.07434	0.7
152.03400	1.1
152.07068	1.9
157.10130	0.9
160.07616	0.7
164.07053	1.1
166.08635	7.2
167.07082	1.6
173.12999	0.9
174.09120	3.9
180.06555	5.4
181.05034	0.7
186.07608	1.4
188.07002	1.1
192.10309	1.2
208.05988	4.5
211.08887	1.0
220.09645	1.3
222.09334	1.1
225.06686	1.1
239.08133	2.4
239.11749	1.2
240.08670	1.0
244.09561	0.7
245.12886	1.7
252.09113	1.0
253.09676	1.1
257.09341	0.8
267.11252	3.5
271.10776	0.8
276.10599	1.7
281.09299	1.5
285.12262	1.6
292.11328	0.7
296.09207	1.2
299.10342	1.9
299.13901	1.9
309.08636	0.7
317.14920	1.1
327.09756	2.9
329.11307	1.0
330.96603	0.7
331.16446	1.2
345.10822	3.1
355.09268	0.7
359.15994	21.8
360.16318	1.4
373.10214	3.7
377.16989	10.9
380.63666	1.9
387.15558	3.6
405.16724	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40276	0.8
55.05500	1.1
56.05019	2.4
58.06590	1.7
68.30802	0.9
69.23087	0.9
69.23393	9.7
70.06580	5.3
72.08157	8.4
77.03908	1.0
77.05714	0.9
81.03423	2.8
84.08143	9.3
85.02904	1.2
86.09657	1.3
87.09165	0.9
95.01323	2.2
95.04971	2.8
101.10747	1.2
105.03389	90.7
106.03725	1.9
107.04984	1.5
109.02865	3.7
110.07142	0.8
110.09645	1.2
111.10451	1.5
112.11272	2.2
113.07178	1.3
121.02864	12.2
122.06033	2.1
133.10223	0.9
134.06012	7.4
137.02336	5.2
137.05876	1.0
138.09134	2.2
148.07573	0.9
149.08366	2.8
152.07033	6.5
155.10670	1.0
155.11778	3.8
157.79247	1.0
162.09134	100.0
163.09563	3.2
166.08652	6.1
167.07092	1.2
174.09140	5.5
176.10704	13.6
178.08626	9.0
179.11838	1.8
191.11786	7.7
191.38947	0.9
192.10257	1.2
193.13504	1.7
194.08211	3.7
202.09363	1.1
205.13351	4.3
207.11272	2.7
212.09283	1.2
219.14867	1.2
221.13045	1.3
231.14943	4.7
233.16528	3.7
242.08141	9.5
248.17712	1.3
250.19156	14.2
252.10133	1.3
254.08115	11.3
276.17206	3.2
280.09598	1.9
284.09311	3.0
308.09171	2.2
309.16733	1.1
319.19141	1.3
320.09225	2.2
330.21722	4.4
331.22452	1.5
338.10318	1.5
344.19653	18.0
350.10165	2.1
354.21744	58.5
355.22165	3.2
358.21225	11.7
368.11368	2.2
368.19604	1.3
369.20679	2.8
370.21185	4.8
386.12369	1.5
386.20667	6.5
387.21454	4.8
404.21799	39.0
405.21884	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61672	2.9
53.03942	8.9
55.01864	8.6
55.05509	18.5
56.05033	4.7
57.03422	7.3
58.73077	2.8
59.04987	6.5
60.04510	5.1
61.02943	3.9
67.03443	3.0
67.05505	14.5
69.03425	28.6
69.07065	16.7
70.06594	47.5
70.69268	8.7
70.69636	3.4
71.01342	3.4
71.04993	69.4
72.08156	22.2
79.05488	23.9
81.03408	23.7
81.07046	20.2
83.04987	9.1
83.08616	6.0
84.04491	11.5
84.08149	17.4
85.02906	62.1
85.03386	5.6
85.06551	7.3
86.06046	3.4
86.09714	23.7
87.00811	11.2
87.04469	9.2
88.03998	10.1
91.05482	18.0
93.07044	38.0
94.06573	6.7
95.04962	17.5
95.07330	5.9
95.08611	18.0
96.08099	15.8
97.02884	19.6
97.06535	10.3
97.10181	9.3
98.06064	3.7
99.04469	9.1
103.05479	7.2
105.01880	8.1
105.03394	100.0
105.07036	20.9
106.06552	3.0
107.04982	6.6
107.08604	23.6
108.04514	3.6
108.08143	6.4
109.02250	2.9
109.02852	16.1
109.06525	9.0
109.10140	6.1
110.07186	4.3
110.09703	21.6
111.04509	2.9
111.08073	8.4
113.78065	2.7
116.07100	5.0
117.07039	3.3
119.08619	15.2
120.08101	39.6
121.02901	3.4
121.06504	57.1
121.08865	5.7
121.10174	12.0
122.06025	6.7
123.08080	11.0
124.03942	4.8
124.07594	11.7
125.09624	8.0
127.03925	30.7
129.07027	4.0
129.10255	7.1
130.04977	4.1
130.06531	9.0
133.06514	4.9
133.10162	10.1
135.08087	5.4
136.07591	9.0
137.05980	6.6
137.09628	5.7
138.09137	78.2
139.11148	19.2
143.08559	4.8
145.05035	14.4
147.04367	5.7
147.08041	4.2
147.11679	15.3
148.03943	3.4
148.07602	5.8
149.09596	7.3
151.07524	5.4
151.11174	19.0
152.07048	4.5
153.09122	4.3
156.09262	4.7
157.07588	3.9
157.09955	4.4
158.08168	4.4
159.02922	4.5
159.11676	4.5
161.13248	15.7
163.11221	4.5
166.08614	17.7
167.07053	8.3
167.10687	4.6
171.11748	11.1
172.12038	3.9
173.13101	4.6
174.09135	3.5
177.12778	4.8
180.06534	4.3
181.05019	6.1
181.08827	5.5
189.12732	28.7
192.10202	4.1
194.09576	4.5
204.04805	18.6
204.06514	4.1
207.13794	82.8
212.10762	4.3
216.04842	9.1
220.09798	5.0
225.10274	4.4
225.14862	92.0
228.17516	3.5
231.05096	4.2
239.08224	5.5
242.11760	64.1
243.15964	6.7
245.12917	4.5
249.07657	3.9
253.09737	3.8
257.09290	4.1
258.09607	12.9
267.11172	3.1
271.10898	3.8
276.10504	35.8
285.08762	3.4
296.09225	3.2
299.10336	4.6
303.09677	4.8
309.08759	3.9
327.09756	7.7
328.21274	8.9
345.10886	11.8
345.14725	10.0
355.19708	5.4
359.15930	4.4
369.19086	3.6
373.10297	12.4
373.13846	6.5
377.17273	8.6
386.25696	5.2
387.20242	11.9
404.14050	6.2
404.22842	98.7
405.15268	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.2
53.40342	2.7
55.01860	4.0
57.03435	8.4
65.03916	3.9
67.05502	4.6
68.99778	3.8
69.03429	30.4
69.07059	5.0
70.03739	3.7
70.06585	26.9
70.08144	12.7
71.04984	8.1
72.08147	8.1
73.02888	6.9
79.05502	7.1
81.03421	32.6
81.07046	8.9
84.04520	3.2
84.08125	7.1
85.02901	64.0
85.03384	5.6
86.09695	20.1
87.00815	23.0
87.04439	3.9
91.05478	23.3
93.07029	5.3
95.04970	11.5
95.08591	3.9
97.02885	25.7
97.06523	3.8
99.04455	12.3
103.05417	3.0
105.01874	23.5
105.03378	42.9
105.07017	6.3
106.03714	17.3
107.04961	4.2
109.02879	24.3
109.10186	3.2
110.07127	3.5
116.07059	5.3
117.06945	2.7
120.08067	3.3
121.02860	100.0
121.06496	13.2
123.04430	8.0
124.04742	4.6
124.07611	22.1
127.03904	40.7
129.01787	3.0
133.10071	3.8
137.05983	4.1
138.09081	4.9
139.03883	22.2
140.10703	4.3
144.01125	4.2
145.04927	14.5
145.06567	5.0
147.04420	5.1
150.53893	2.6
159.02893	6.4
163.07607	7.8
164.10715	5.6
167.07082	9.8
178.12210	2.9
187.07524	8.8
187.23743	3.0
189.03906	4.4
193.08598	8.9
205.08606	4.7
206.11819	3.7
207.06476	2.9
224.12830	11.4
229.08627	11.9
231.05040	8.5
242.11728	4.8
242.13887	38.9
242.17523	5.3
247.09578	2.9
265.07111	18.4
268.09045	7.5
283.08078	16.0
333.09100	3.6
387.08453	3.9
404.17215	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03942	1.9
55.01859	0.6
55.05502	0.6
56.05027	0.3
57.03441	2.0
57.03690	0.4
59.04975	1.0
61.02925	0.6
67.05474	0.4
69.03426	9.7
69.77138	2.3
70.06598	3.2
71.04990	1.1
72.08138	2.7
73.02895	0.7
73.08457	0.6
78.03449	10.5
79.05463	0.3
80.05025	2.4
81.03415	11.7
83.04977	1.2
84.04504	1.0
84.08135	2.4
85.02899	10.0
86.09707	2.9
87.00829	1.4
87.10036	0.6
91.05451	0.7
93.07079	0.5
95.04945	0.6
96.04488	4.2
97.02897	4.5
99.04446	2.4
101.06013	1.6
105.01834	1.8
106.02911	44.8
107.04948	0.6
109.02876	9.6
110.07130	0.7
119.07054	1.2
120.08066	0.4
121.06487	1.2
124.03947	100.0
125.04289	1.3
126.05476	0.4
127.03907	7.6
128.07106	0.4
129.10228	0.7
132.29063	0.4
136.03885	0.5
137.08113	0.4
138.05499	0.5
138.09149	0.5
143.11848	0.4
145.02867	0.6
145.04956	1.9
147.04375	0.7
156.06537	0.3
156.10176	1.2
159.02850	0.5
166.04956	1.7
175.03839	0.9
177.05499	0.5
184.75824	0.3
196.06041	0.7
207.06546	0.7
224.16452	0.6
231.05038	0.6
232.06036	3.6
234.15121	0.4
242.17397	0.6
250.07120	12.3
268.08151	55.1
269.08472	0.4
404.15411	5.0
404.23248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82455	2.9
61.37001	3.2
65.03941	3.3
69.03426	10.6
70.06602	21.5
70.86673	4.5
70.87025	6.4
71.04968	3.3
72.08169	18.2
72.08497	2.8
79.05515	6.1
81.03412	12.9
81.07065	5.5
81.55658	2.8
84.04491	5.0
84.08141	5.3
85.02905	11.6
86.09719	25.6
87.00805	4.2
91.05488	9.6
93.07047	7.9
95.04954	9.3
95.08610	3.8
97.02908	14.5
105.01894	4.5
105.03401	27.9
105.07029	4.8
109.02892	13.0
109.06514	4.0
110.07157	4.9
111.04436	5.2
119.08604	5.7
120.08081	3.7
121.02872	100.0
121.06500	46.2
121.10134	3.5
122.06030	3.8
127.03929	14.8
133.10191	3.3
138.09149	12.9
139.03897	19.4
139.56891	3.7
141.13086	3.1
145.04936	3.7
145.10120	3.5
146.48708	2.9
147.11713	6.1
155.04991	3.3
156.07758	5.5
156.83847	3.4
162.07619	5.3
167.07108	4.7
189.12779	8.6
206.40791	3.1
207.13724	19.2
214.12064	3.3
225.14944	5.1
247.48979	3.4
265.07104	13.2
283.08167	12.7
296.68295	3.3
341.16574	3.5
404.22250	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71591	0.4
53.03937	1.4
55.01852	1.5
55.05495	1.0
56.05032	0.6
57.03440	2.4
57.07074	0.5
57.80319	0.5
60.04508	0.9
61.02926	1.2
65.03946	0.5
67.05492	1.5
68.99757	0.7
69.03428	6.3
69.07067	2.5
69.55648	3.7
70.06590	4.1
70.86123	0.4
71.04994	0.9
72.08145	2.1
73.02907	1.2
74.06074	0.6
74.38956	0.5
79.05488	2.1
80.05016	0.6
81.03415	6.4
81.07048	2.0
82.02936	0.5
82.06586	0.9
83.04966	1.0
84.04513	1.2
84.08139	1.8
85.02904	10.8
86.09704	3.6
87.00832	2.7
87.04443	1.2
91.05475	4.7
93.07047	3.1
94.06544	0.6
95.04953	0.7
95.08584	3.2
96.04495	2.8
96.08125	1.9
97.02898	4.0
97.05249	1.9
97.06524	1.8
99.04446	2.6
100.07597	0.8
102.05527	0.9
105.01856	2.1
105.03397	1.5
105.07035	3.5
106.03732	0.8
107.04985	0.8
107.08585	2.9
109.02873	3.6
109.06540	1.2
109.10144	0.7
110.06044	5.9
110.07154	0.6
110.09676	4.1
111.08076	1.5
117.01778	0.6
119.04930	4.7
119.08575	3.3
120.08136	2.4
121.06488	1.4
121.10147	2.1
122.09648	0.9
123.08070	0.9
123.11709	1.3
124.03984	0.8
124.07553	1.1
124.11190	0.5
125.08318	0.6
125.09632	0.6
126.09151	8.7
127.03930	5.1
128.06157	0.6
129.06995	0.5
129.10219	0.6
131.08580	1.8
133.10130	1.9
134.51930	0.5
135.08052	2.8
135.11671	0.9
137.02327	3.6
138.09137	22.2
139.07628	0.6
140.10681	0.6
143.08563	1.6
145.04993	1.5
145.06503	0.5
145.10080	1.1
147.04419	4.0
147.08049	1.9
147.11702	2.7
148.11151	0.7
149.09573	1.2
150.12787	1.0
152.10706	0.9
156.10210	100.0
157.05029	0.5
157.10567	0.9
159.02882	1.2
159.08018	0.6
159.11702	0.8
161.13261	1.1
162.09117	0.6
163.11263	0.6
165.12730	0.7
168.10214	0.7
171.11722	4.4
173.12801	0.7
175.03923	7.4
176.14413	1.0
180.10225	1.8
188.06998	0.5
188.14333	1.4
189.12758	3.5
192.04123	1.3
196.48117	0.5
198.11214	3.1
200.10643	0.7
205.08711	0.6
206.15416	1.3
207.06544	15.0
207.08437	1.0
207.13794	12.6
222.11330	1.0
224.16508	1.3
225.07564	5.5
231.04956	0.8
242.11752	4.9
242.17628	3.3
246.11282	1.4
264.12131	1.0
267.54245	0.5
277.00900	0.5
318.15390	0.8
344.20728	0.6
386.14795	0.5
404.09985	1.1
404.15533	7.3
404.21088	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85679	1.3
53.03938	3.2
55.01864	4.6
56.05030	2.6
57.03431	2.2
58.99586	19.3
60.04520	3.9
61.02921	2.7
67.05502	2.9
69.03436	11.1
69.07072	5.2
69.78803	5.0
69.79214	2.1
70.06586	9.9
71.04981	2.6
72.08153	5.2
74.06078	2.6
76.02232	100.0
76.03997	2.7
78.03452	5.1
79.05490	8.2
80.04999	3.8
81.03422	9.3
83.05022	1.8
84.04507	47.7
84.08125	7.7
85.02908	23.1
86.06085	1.8
86.09709	13.7
86.99036	4.3
87.00828	2.6
87.04464	1.8
87.05597	2.3
88.02194	3.0
91.05497	2.8
95.04989	3.7
95.08636	1.7
96.04491	2.4
97.02891	7.8
97.06532	96.1
98.06059	1.4
98.06907	1.5
98.97593	2.9
99.04446	4.0
101.07184	1.7
103.40280	1.6
105.01857	5.5
105.03387	1.7
106.02924	14.2
107.04967	2.3
109.02897	7.4
110.07162	5.1
116.01679	26.1
119.04940	2.0
120.08147	2.8
121.02843	2.3
121.06506	6.3
123.04433	1.9
124.03951	27.2
127.03947	13.2
129.10294	4.2
130.05003	35.7
136.05019	1.9
136.07538	2.2
138.05481	3.6
138.09166	1.5
139.32362	1.5
140.07057	4.7
142.03226	12.3
144.01146	12.9
145.04947	5.6
146.02794	2.2
150.05597	1.9
154.04950	4.0
155.08153	1.7
156.06612	3.2
156.10168	4.1
158.99731	1.9
159.02847	1.6
162.02211	54.1
163.07472	2.1
165.05359	1.8
170.02699	4.3
177.05450	3.6
179.04861	78.5
189.04025	2.2
199.07147	1.5
208.09686	1.5
215.04857	3.6
216.09898	2.3
219.01694	1.6
226.10716	2.9
231.04904	2.5
233.05904	23.3
237.02916	1.8
242.10211	3.0
245.05907	5.5
250.06967	7.4
268.08154	15.9
289.15427	7.1
290.07990	2.3
291.06430	5.0
308.09146	27.8
370.33356	1.6
386.13916	2.1
404.15192	26.2
404.19327	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21149	0.1
58.42123	0.1
67.05478	0.2
69.03414	0.1
69.22101	1.1
69.22518	0.4
70.06590	0.2
71.04945	0.1
85.02888	0.2
86.09711	0.4
91.05473	0.3
99.05558	0.2
105.06973	0.2
117.18575	0.1
120.08138	0.3
122.00438	0.1
139.12299	0.3
144.08134	0.1
144.38869	0.1
163.10612	0.1
167.07182	0.2
172.07538	0.4
173.08340	0.5
174.09106	0.1
181.05025	0.2
189.76604	0.2
195.08600	0.1
195.11282	0.7
196.07591	0.8
200.07080	3.4
214.08769	0.2
224.06955	0.3
227.05766	5.0
242.08110	100.0
243.08438	3.2
404.13394	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	1.2
55.01868	2.6
56.05034	2.4
57.03444	1.8
57.77124	1.0
58.99587	17.4
60.04527	1.2
67.05507	1.8
68.99828	1.3
69.03426	4.7
69.07075	6.0
69.66345	7.2
70.06594	3.7
71.05016	1.7
72.08157	2.6
74.06092	3.1
75.13911	1.0
76.02232	100.0
76.04002	3.1
79.05505	8.4
81.03425	3.6
83.06113	1.8
84.04508	35.6
84.08149	4.8
85.02904	10.4
86.09718	5.7
86.99070	4.8
87.00829	2.0
89.67727	1.0
91.05467	1.0
95.05009	1.8
96.04532	1.1
97.02912	4.6
97.06536	91.6
98.06013	1.6
98.20762	2.4
99.04485	1.6
105.01878	3.3
106.02925	2.2
108.60469	1.2
109.02885	2.8
110.07166	1.4
114.03763	1.7
116.01682	22.2
121.02873	3.5
121.06512	2.9
123.04487	1.8
124.03928	5.4
127.03903	5.7
129.01836	1.5
129.10214	1.3
130.05014	18.5
142.03227	12.2
144.01152	14.4
145.02948	1.4
145.04974	3.5
147.04395	1.2
154.04990	4.2
156.06563	2.8
162.02209	44.7
163.04013	1.3
166.38667	1.1
170.02715	3.8
177.05408	1.3
179.04866	76.9
187.05403	3.5
189.04002	1.6
208.09769	1.3
215.04877	3.7
216.09845	1.3
231.04947	1.6
233.05911	20.5
245.06009	4.8
268.08182	4.1
282.08737	1.9
291.06363	5.4
305.74472	1.2
308.09116	25.4
398.56354	1.4
404.15265	16.2
404.19742	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25080	1.6
50.70465	1.3
53.03947	2.4
53.65663	1.3
55.01863	2.7
55.05500	4.6
56.14857	1.3
57.07075	1.5
63.03704	1.6
67.05490	5.1
69.03432	4.6
69.07050	4.1
71.53132	1.7
75.49937	1.5
79.05496	5.9
81.03419	12.1
81.07059	3.1
81.91737	1.4
83.04971	3.2
83.08613	2.0
87.04491	1.7
91.05489	9.1
92.07402	1.3
93.07044	6.7
95.01327	16.5
95.04984	9.1
95.08610	5.4
96.53741	1.5
97.06541	4.9
103.05482	2.1
105.07018	13.1
107.04951	1.7
107.08615	5.0
109.06530	3.8
109.10220	1.7
115.05434	4.0
117.07008	5.0
119.08599	8.1
121.06519	5.7
121.10125	1.9
122.95393	1.4
128.06235	6.8
129.07057	8.0
131.04953	3.6
131.08572	10.3
133.06503	4.6
133.10152	5.9
135.08084	2.3
135.11731	1.4
136.83574	1.6
140.92783	1.5
141.07021	3.0
142.07773	6.5
143.08543	10.8
144.09317	1.8
145.06487	4.8
145.07608	1.7
145.10144	6.7
147.04454	3.2
147.08084	5.8
147.11716	3.1
149.09602	1.7
152.06192	1.6
153.06973	2.8
154.07825	3.0
155.08575	7.6
156.09367	5.4
157.06491	6.1
157.10110	16.0
158.10760	1.5
159.08044	8.0
159.11717	6.3
161.06003	4.1
161.09642	2.1
165.07051	6.6
166.07730	2.9
167.08536	5.1
169.06482	2.5
169.10141	4.1
170.10881	2.7
171.04381	2.1
171.08055	9.6
171.11644	7.4
173.09691	4.1
173.13272	2.1
175.07578	2.8
178.07797	3.7
179.08546	7.8
180.09296	4.6
181.06456	2.4
181.10075	9.4
182.10832	3.5
183.08075	4.1
183.11717	5.5
184.12367	2.1
185.05998	4.3
185.09695	8.2
185.13295	6.7
187.07596	3.0
187.11215	3.2
189.05537	5.5
189.12738	1.7
191.08676	2.2
192.09346	2.8
193.10182	5.0
194.07317	1.9
194.10895	3.8
195.08054	6.1
195.11729	8.8
197.09641	4.4
197.13307	6.4
198.10326	1.8
199.07645	2.6
199.11212	4.2
199.14807	2.8
201.09106	2.6
201.12764	3.4
203.07030	3.3
203.08791	3.0
203.10704	4.0
205.06531	1.7
205.10049	3.1
206.10811	2.2
207.08121	2.9
207.11777	3.1
208.08798	4.2
209.09616	11.1
209.13354	6.9
210.10408	1.9
211.07660	2.5
211.11267	4.1
211.14775	2.0
213.09271	2.0
213.12720	5.6
215.08678	2.3
215.10606	1.9
217.10425	2.0
217.12317	6.2
218.10855	1.8
219.08104	3.3
219.11740	6.6
220.08868	2.6
221.09650	5.8
221.13226	3.2
222.10400	5.2
223.07687	2.9
223.11153	13.0
225.12755	4.1
227.06892	2.3
227.14342	4.7
229.10211	4.0
229.12320	2.7
230.10979	2.3
231.08138	2.0
231.11774	3.9
231.13860	2.5
232.08957	5.2
233.09656	6.3
233.13272	3.1
234.10558	3.5
235.07697	4.3
235.11339	4.1
237.09109	4.3
237.12733	12.3
239.10698	2.0
239.14394	3.2
241.12332	2.7
243.08092	2.1
243.11816	1.9
244.12561	3.6
245.09668	4.3
245.13229	2.4
245.15395	22.5
246.10405	2.6
246.16142	6.6
247.11243	7.8
247.14830	2.9
249.09167	6.3
249.12746	4.8
250.09737	2.1
251.10753	4.2
254.10936	3.3
255.10138	2.4
256.08905	2.7
256.12546	2.2
257.09601	5.1
258.10361	3.4
259.08426	2.4
259.11261	6.6
259.14838	3.4
260.11847	1.9
261.09116	4.2
261.12723	4.5
263.10660	4.4
263.14331	2.7
265.12262	11.3
267.10092	12.0
269.09457	2.7
270.10400	3.1
271.11227	4.2
272.11981	5.7
273.09155	1.9
273.12842	7.2
275.10565	2.6
275.14319	1.8
277.12186	1.6
278.09491	1.9
279.14114	1.7
279.17429	4.0
282.10522	3.4
283.13443	11.5
285.09406	3.6
285.12790	3.5
285.16138	1.7
286.10043	2.1
286.13431	3.6
287.10898	3.1
287.14340	6.7
289.12299	4.0
289.15649	3.1
291.13818	2.6
293.15317	2.0
297.12793	6.5
297.18631	3.3
299.10614	6.1
299.14172	3.0
300.11365	5.6
300.14883	1.8
301.11960	7.3
303.13727	2.9
305.12009	2.5
305.15341	2.5
306.16232	2.6
307.13617	3.2
307.16757	9.4
310.10220	2.0
313.12335	2.8
313.15948	1.9
315.13806	13.4
315.17191	3.0
316.14526	2.2
317.11774	2.8
317.15244	3.0
318.12607	1.8
319.09616	2.3
319.13373	3.3
325.12381	3.5
325.18069	9.8
327.13812	2.3
329.18860	2.9
331.13260	2.5
331.20728	1.9
332.14163	2.4
333.11200	2.5
343.13373	13.3
343.19595	12.6
345.11160	2.0
347.12485	1.9
357.18472	16.8
359.20120	5.6
360.13464	2.9
361.14291	11.9
361.18356	2.6
367.16690	1.9
370.15601	2.2
373.14728	1.7
375.19528	18.8
385.18134	21.1
386.18298	1.9
403.19107	100.0
404.19586	5.6
421.20187	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	402.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.7
56.45848	3.5
57.80453	2.8
63.60392	3.9
65.03934	4.0
65.38400	3.3
66.01623	2.9
67.05485	14.6
70.12536	2.9
71.52953	4.2
75.00024	13.1
79.05515	5.3
85.06540	3.8
91.05482	5.1
103.03129	7.4
109.10121	3.1
114.88988	3.5
121.10146	4.0
131.04959	4.1
131.08562	3.7
145.10046	3.1
147.04390	11.1
150.48326	2.9
159.04366	14.8
163.03891	6.8
167.07057	6.3
168.07333	4.1
172.75009	3.1
173.05913	4.4
175.03922	98.8
175.05473	5.2
177.05449	9.6
180.61185	3.6
187.03929	26.0
187.07581	4.5
189.05446	13.4
201.05444	6.2
203.03381	8.4
203.10387	4.3
223.46539	3.3
226.06300	3.9
229.08638	25.2
231.10167	12.6
241.08647	16.8
243.10150	10.4
247.09677	51.2
259.09732	16.2
277.06268	7.5
293.05875	4.3
313.14377	10.9
331.11221	7.5
331.15201	5.8
349.12006	31.9
367.13062	100.0
368.13199	6.1
384.15402	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	403.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73882	2.6
56.96566	37.3
57.03434	2.2
60.05645	3.9
60.95483	2.3
61.02924	3.0
61.97257	2.2
69.03412	8.0
69.35318	2.0
69.68269	4.8
69.68679	10.4
70.06253	2.8
70.06593	32.4
72.08152	21.0
73.02924	2.3
74.97596	7.3
81.03382	2.5
81.07034	2.5
82.67247	2.2
84.04491	5.7
84.08108	6.9
84.96005	8.1
85.02909	13.1
86.09683	9.8
91.05476	2.4
97.02880	8.1
98.97581	59.3
101.00868	2.1
105.03381	9.4
109.02901	2.6
110.97555	9.6
112.08731	3.9
112.99115	5.3
116.07101	4.3
116.98628	30.0
119.01908	5.4
127.03906	6.6
128.98615	13.8
131.00148	8.9
131.01775	2.5
133.06445	2.8
134.99654	14.6
136.03889	3.9
140.52098	2.0
143.00136	6.1
143.16240	2.0
145.04915	2.2
146.99593	7.7
147.04381	7.8
149.01222	5.0
154.04993	15.4
155.05302	6.8
158.99657	15.3
161.01161	8.2
161.02882	4.5
162.99088	3.1
170.99654	6.4
173.01202	8.8
173.04776	4.5
175.11894	6.6
177.00719	17.6
177.05481	5.1
189.00688	8.3
189.04326	3.2
190.03867	2.8
191.02190	6.1
191.05855	4.8
192.32086	2.4
197.04825	2.7
201.00655	6.0
201.04282	3.0
211.15511	3.5
215.02306	4.0
215.05797	10.7
219.01746	29.5
221.04900	3.0
233.06947	3.3
237.02809	46.3
240.95241	2.4
242.03311	2.8
255.03830	3.1
257.03284	2.5
257.06897	4.6
259.08530	4.0
270.02780	3.4
273.06470	2.5
281.08499	4.0
288.20325	4.3
299.07999	3.8
317.09058	77.3
335.10065	42.0
343.08359	2.3
359.10266	26.3
377.11203	6.4
402.24170	2.5
403.09879	100.0
403.15155	5.4
403.23148	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	402.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64387	0.2
53.03942	0.5
53.49002	0.2
59.04979	0.3
60.86074	0.2
65.10033	0.2
67.01881	0.2
69.03437	1.5
69.54359	0.2
70.06582	0.4
70.72007	0.3
70.72338	0.3
71.04990	0.3
72.08161	0.2
80.05005	0.5
81.03407	0.6
84.04482	0.3
85.02917	1.9
86.09712	0.3
92.05003	5.1
95.01340	0.2
97.02879	0.3
99.04453	0.7
108.04472	1.6
109.02885	0.4
110.06050	0.3
111.06384	0.2
127.03925	0.7
136.03954	2.6
136.04959	0.4
136.07541	0.3
138.17160	0.2
154.04990	100.0
155.05350	1.5
202.98140	0.2
206.57127	0.2
280.08163	24.0
281.08588	1.1
298.09229	7.0
306.15970	0.2
316.10645	0.3
362.87851	0.2
365.57941	0.2
402.13953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
53.03934	1.0
55.01863	0.3
55.05508	0.4
57.03415	0.4
59.04996	0.4
60.05637	0.4
68.05022	0.7
69.03429	2.3
69.67353	0.5
69.67754	1.8
70.06598	5.0
71.04990	0.7
71.06922	0.6
72.08157	4.1
78.03427	0.3
80.05019	1.3
81.03415	6.3
81.07072	0.5
81.31271	0.3
84.04491	0.8
84.08138	1.6
85.02899	2.8
86.09714	4.1
87.10038	0.7
91.05501	0.7
93.07079	0.4
95.01329	3.0
95.04938	0.5
97.02887	5.4
98.02329	0.4
98.21469	0.7
99.04448	0.9
105.03394	7.3
106.02906	1.1
107.08570	0.4
108.04478	3.7
109.02874	3.3
110.06024	1.2
110.07148	0.8
112.08768	0.9
116.07088	0.7
120.08087	0.4
124.03947	2.7
124.07558	0.5
126.05467	0.7
127.03928	3.0
129.10216	0.5
136.03935	100.0
137.04280	1.9
143.11787	1.0
145.04929	0.8
154.04991	34.1
155.05354	0.5
164.07097	0.4
171.11278	0.5
186.12312	0.5
207.06743	0.4
214.11972	0.5
222.11336	0.4
226.17267	0.4
233.11421	0.7
240.10228	2.5
240.12282	0.5
240.15994	0.7
250.07091	1.0
261.73538	0.4
268.08185	1.1
270.18414	0.4
280.08167	14.9
281.08640	0.6
283.14981	0.4
284.36563	0.3
298.09201	7.5
299.09787	0.4
311.96750	0.3
316.10394	0.7
402.24658	0.5
402.29031	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	402.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06458	1.7
55.05497	2.7
56.03934	1.8
56.05020	1.6
57.03409	2.2
60.04529	1.6
65.48442	1.5
67.05480	5.8
69.03408	4.7
69.07050	3.6
69.26181	15.5
70.06596	29.7
71.04967	7.2
72.92570	1.7
79.05470	5.8
80.04960	1.5
80.05853	1.7
81.03402	3.5
81.07021	4.8
84.04454	1.9
84.08108	3.9
85.02882	3.7
86.09673	5.5
91.05478	4.4
92.47673	1.8
93.07021	3.9
93.60845	1.5
95.04929	2.6
95.08562	3.2
97.02859	2.2
97.06461	2.2
98.05998	2.9
105.03403	8.2
107.04919	4.7
107.63656	1.5
108.05247	2.9
109.02864	1.6
109.10141	3.1
116.07101	4.4
118.06525	1.7
119.08511	2.5
120.08976	1.5
123.04415	2.8
127.03918	1.8
131.08531	2.6
133.10069	1.8
137.09532	2.8
140.04904	4.6
141.16313	1.8
147.04361	5.5
151.07329	1.9
154.06479	4.3
155.06027	24.5
157.01447	1.6
157.07483	1.9
167.05946	6.2
167.07254	10.0
168.07140	3.1
169.06290	1.9
169.07625	27.3
170.05907	2.6
177.05351	2.5
179.05995	7.6
181.04921	2.6
181.07597	4.8
182.06052	10.1
183.05510	19.8
185.07091	16.5
193.07597	11.3
195.05556	31.2
195.09251	8.2
196.06232	11.9
197.07103	15.6
198.05418	3.9
201.06540	2.3
203.97224	1.6
205.07503	3.5
206.08612	3.2
207.05409	9.5
209.07053	6.0
211.04982	2.5
211.08615	7.3
213.06580	25.4
218.08897	3.0
220.08296	2.2
221.07095	15.6
222.07881	4.0
223.05019	1.9
223.08717	17.7
224.07161	1.7
225.04524	2.8
225.06581	31.8
227.08223	11.3
228.01848	1.8
229.06110	20.7
234.14902	2.8
236.16229	2.9
237.06636	3.5
238.07362	4.3
239.08136	18.0
241.05948	1.9
243.07634	4.0
249.06572	6.8
251.08171	33.2
252.08554	2.9
252.15924	4.2
253.05946	4.8
254.17545	2.5
255.07530	7.0
257.05432	5.8
267.07782	14.6
269.09232	24.9
271.07159	19.7
277.05994	6.5
279.07651	28.7
280.07892	2.8
281.15399	2.4
285.08673	23.4
292.10327	2.3
295.07144	24.8
297.08691	22.5
313.08151	25.6
315.09711	18.2
316.08844	8.0
320.10162	2.5
326.19620	13.7
328.21143	5.4
331.08340	2.2
331.11420	5.1
338.11215	7.4
342.07019	2.7
342.10873	42.7
343.11237	3.5
344.20508	10.8
352.12369	4.5
356.12335	8.4
366.10806	10.5
370.22183	9.7
384.11673	62.1
385.12097	6.2
402.12827	100.0
402.24277	10.4
403.13107	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.9
55.05503	19.7
57.07069	5.7
63.81141	5.2
67.05498	18.6
67.77191	5.1
69.07055	16.2
71.04987	12.0
71.08631	5.4
71.44514	9.6
72.64695	4.7
79.05492	23.0
81.07060	44.6
81.96916	5.4
83.04974	12.4
87.14268	5.7
88.78605	4.6
91.05479	48.1
93.07037	58.9
95.04985	15.1
95.08600	35.1
105.07027	100.0
107.08621	48.3
109.06514	59.5
109.10151	24.3
110.61232	4.8
111.08100	9.7
115.05424	6.3
116.06255	5.3
117.07018	31.9
119.08572	88.1
121.10157	29.2
123.11723	12.3
128.06244	13.5
129.06976	18.8
130.07800	11.4
131.08551	66.3
133.10124	84.8
134.00017	5.1
135.08055	16.3
135.11685	28.2
137.09576	13.4
141.06989	7.1
142.07767	23.8
143.08533	42.9
144.09395	10.2
145.10120	99.0
147.08072	7.0
147.11723	26.4
149.09624	8.6
155.08568	11.7
156.09328	14.7
157.10130	67.3
158.10864	13.6
159.11719	36.1
165.07028	7.7
167.08586	8.4
168.09363	8.6
169.10155	18.2
170.10950	9.1
171.11703	33.0
173.13258	52.7
175.14832	19.3
179.08592	13.6
181.10136	18.6
183.11743	29.4
185.13319	19.7
187.14819	44.2
192.09433	5.4
193.10170	9.4
194.10873	7.5
195.11754	23.3
196.12338	7.2
197.13272	17.1
199.14859	22.6
201.12772	5.5
201.16362	10.0
206.10916	8.0
207.11758	17.1
209.13193	30.5
211.14851	12.4
215.14404	7.5
220.12354	5.7
221.13274	24.2
227.14153	6.2
235.14865	10.6
237.16333	9.2
247.14662	6.1
261.16437	9.0
263.18124	6.2
265.19504	11.2
279.50806	4.7
296.44504	4.8
343.24161	7.0
376.73999	5.1
401.17587	13.5
401.28302	26.4
402.22729	5.2
402.28589	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	401.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.3
54.44690	2.8
55.01877	22.9
55.05514	20.6
56.26247	2.9
57.03423	11.6
57.07059	8.0
59.05011	3.1
61.02917	14.5
61.85611	2.9
65.88392	3.2
67.05500	30.4
68.99792	19.6
69.03432	65.5
69.07065	30.7
69.67718	7.4
69.68143	12.6
70.06600	6.9
71.01339	3.3
71.05000	15.8
72.08143	6.8
73.02905	9.4
79.05489	37.2
81.03419	65.1
81.07056	100.0
83.04991	18.9
83.05404	2.8
83.08610	13.0
85.02903	82.2
85.06540	7.4
86.09711	9.9
87.00823	43.4
91.05453	26.4
93.07040	56.2
93.94617	3.1
95.01350	7.6
95.04969	42.5
95.08605	39.7
97.02897	36.4
97.06528	29.3
97.22961	2.9
98.20855	6.5
99.04444	28.0
103.03941	10.2
103.05476	5.7
105.01864	27.6
105.04533	3.7
105.07027	44.5
107.04936	15.1
107.08586	49.7
109.02882	28.3
109.06509	43.8
109.10146	30.8
111.04426	12.3
111.08086	7.4
113.05998	4.1
115.03939	12.6
115.05483	4.6
117.01850	3.6
117.07005	18.5
118.97550	3.6
119.08578	76.4
121.06525	10.8
121.10155	30.4
123.04428	83.0
123.08078	12.8
123.11665	6.1
125.06044	5.0
127.03912	52.6
129.01852	20.1
129.07013	5.4
131.08577	19.3
133.06525	3.7
133.10120	18.3
135.08060	11.4
135.11684	34.7
137.06009	9.6
137.09636	10.2
137.13205	4.4
141.05481	10.3
141.07037	5.5
142.07779	11.5
143.08569	10.3
145.04997	15.1
145.06473	5.0
145.10130	28.6
147.02869	9.7
147.08035	5.9
147.11691	16.1
149.05986	7.1
149.09558	4.7
149.13249	3.6
151.07567	26.5
151.11154	10.6
153.12712	24.1
155.08530	12.7
157.10132	26.2
159.02846	21.6
159.08049	9.5
159.11703	29.1
161.13388	4.2
163.11157	13.2
165.09044	4.4
165.12758	9.4
167.07039	23.8
168.09251	3.9
169.08685	5.5
169.10143	10.5
171.08154	3.9
171.11673	9.4
173.09595	5.3
173.13211	7.6
175.11220	11.6
177.12781	8.2
179.07005	17.2
179.10678	3.3
183.11723	7.8
187.07498	5.0
187.11121	3.6
189.03960	10.4
189.12773	3.5
193.12303	6.5
197.08157	5.1
197.13245	7.5
199.11143	3.8
201.12778	9.4
207.13719	4.4
213.04041	4.5
215.14276	6.5
219.13771	5.4
225.12741	12.6
231.05095	4.4
243.13818	18.6
247.09677	4.1
261.14777	22.2
279.15796	3.4
282.08893	5.8
315.08560	7.1
315.18036	4.3
330.11038	13.8
343.11942	3.5
347.15137	5.3
365.15891	8.6
383.16702	9.3
401.16245	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	401.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.2
55.01871	26.5
55.05501	10.6
57.03429	10.3
61.02908	6.8
65.03938	4.1
67.05509	27.8
68.99780	12.5
69.03431	48.1
69.07056	9.3
70.06586	13.3
71.01353	3.6
71.04998	8.6
72.08169	22.0
73.02901	4.8
79.05494	40.7
81.03419	56.2
81.07056	95.1
83.04976	18.0
85.02906	43.7
85.06522	10.9
86.09699	9.4
87.00823	27.0
91.05476	38.8
93.07054	41.7
95.01321	9.0
95.04974	42.7
95.08628	23.0
97.02905	16.3
97.06525	14.5
98.21558	5.8
99.04456	19.9
103.03934	9.4
105.01848	11.4
105.07026	50.6
107.04933	14.4
107.07867	4.8
107.08580	44.0
109.02856	11.4
109.06520	48.6
109.10159	21.0
111.04443	11.6
111.08082	8.2
113.05988	4.9
114.05526	3.4
115.03892	3.7
115.05465	5.5
117.06998	12.4
119.04948	4.0
119.08586	73.4
121.02859	4.1
121.06490	8.8
121.10139	22.8
123.04433	100.0
123.08028	8.2
125.05983	10.0
127.03896	14.1
128.06235	7.7
129.01816	12.5
129.06995	9.5
129.10219	6.2
130.07813	3.3
131.08556	16.2
133.06442	6.2
133.10129	21.6
135.04391	6.6
135.08031	9.9
135.11684	19.8
137.09599	13.9
141.05481	15.9
141.07027	4.1
142.07765	10.5
143.08549	13.2
145.04967	5.4
145.06479	6.2
145.10136	42.0
147.02881	13.6
147.08022	10.5
147.11681	12.1
149.05988	6.4
149.09663	4.0
151.07558	25.8
151.11179	14.6
151.66151	3.5
153.05525	3.3
153.12762	4.0
155.07074	5.2
155.08545	9.6
156.05794	3.6
157.10127	29.4
159.02991	7.9
159.08043	7.2
159.11676	25.4
163.11174	10.5
167.07069	27.1
169.08690	5.4
169.10118	10.2
171.11691	12.9
173.09587	3.9
173.13188	4.7
175.03796	3.3
175.11180	13.7
177.05533	5.2
177.12727	7.4
179.07024	17.0
181.04962	6.8
183.11700	7.7
187.11140	5.5
189.03943	9.4
189.12701	5.3
197.08110	8.1
197.13249	7.8
201.12758	12.1
207.11699	7.4
208.05113	5.1
215.14319	6.1
217.08669	5.2
219.13826	11.0
225.12732	11.6
243.13821	18.0
247.07443	4.8
261.14838	13.0
263.10999	3.6
269.08197	7.1
279.15933	3.7
286.04651	3.4
314.04242	7.6
315.08453	7.7
329.06458	13.6
330.10968	14.7
338.74628	3.4
343.11652	5.4
351.12341	3.3
365.15869	7.8
383.16437	10.8
401.12433	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	401.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.4
53.03942	2.2
55.01873	6.4
55.05489	2.5
57.03430	3.3
57.07077	1.4
61.02909	1.9
65.03939	2.0
67.05502	5.1
68.99787	5.2
69.03429	80.9
69.07051	3.0
70.06580	3.6
70.67972	1.3
70.68307	2.2
70.87679	0.9
71.04992	2.6
72.08183	2.0
77.90495	1.1
79.05496	11.5
81.03417	11.1
81.07056	11.0
83.04971	4.7
85.02901	10.8
85.06552	1.8
86.09703	2.7
87.00842	3.3
91.05482	10.3
93.03413	1.3
93.07046	10.4
95.04978	15.4
95.08607	3.2
97.02888	4.8
97.06523	3.1
99.04454	3.7
103.03952	1.2
103.05489	1.7
105.01878	2.0
105.03354	6.2
105.07033	8.9
107.01335	1.0
107.04961	20.6
107.08588	10.5
109.02895	8.9
109.06531	5.3
109.10165	5.1
110.81597	1.1
111.00841	1.8
111.04441	11.1
111.08044	1.4
111.50771	1.0
115.05413	1.3
117.07014	2.9
119.04954	9.3
119.08572	7.7
120.08090	1.7
121.02841	6.9
121.06511	6.7
121.10161	4.8
121.47457	0.9
123.00773	1.6
123.04433	17.3
123.08073	1.9
125.06001	5.5
125.09634	1.1
127.03896	4.9
129.01793	1.3
129.05457	1.4
129.06982	1.5
131.04912	2.9
131.08582	3.9
133.02872	1.8
133.06479	2.9
133.10139	4.2
135.04419	48.1
135.08080	2.0
135.11723	4.7
137.02379	1.4
137.05928	1.5
137.09596	2.0
141.01836	3.4
141.05473	1.1
142.07625	1.3
143.08586	2.9
144.05737	1.1
145.04849	1.2
145.06505	1.6
145.10080	6.1
146.33434	1.0
147.04404	33.3
147.05544	2.3
147.08057	1.2
147.11734	2.3
149.02338	3.1
149.05969	4.3
149.09633	1.8
150.30325	1.0
151.03885	3.1
151.07538	4.2
151.11125	1.9
151.80470	1.0
153.01831	17.9
153.05464	2.8
153.12762	2.1
157.10104	3.5
157.68452	1.0
159.08041	2.7
159.11696	4.4
161.05969	2.4
163.03902	15.7
163.07530	2.4
163.11197	2.2
165.01837	54.2
166.02196	1.7
167.07030	8.2
169.10156	1.3
171.02972	1.1
171.04440	2.1
173.13251	1.2
175.03888	4.8
175.11238	2.4
177.01830	17.8
177.05336	4.7
177.12753	1.7
178.99770	1.1
179.03415	7.5
179.06975	2.4
181.04955	2.3
181.12070	1.3
183.02899	30.5
183.04529	1.7
183.11685	1.3
187.11174	1.0
189.01871	1.9
189.03874	1.9
189.05469	4.7
191.03395	54.0
192.03938	1.0
193.01285	1.3
193.04982	4.9
193.12321	1.6
195.02885	19.9
197.00771	1.8
197.04576	1.3
197.08144	1.6
197.13251	1.2
199.03799	1.3
201.05602	1.1
201.12694	1.1
203.03412	26.1
205.01338	1.4
207.02901	10.0
207.06464	1.5
208.05133	1.1
209.04436	3.3
215.14386	1.3
217.04990	15.3
218.05141	1.4
219.02887	91.7
220.03252	4.0
221.04485	12.5
223.02481	1.2
235.05943	3.7
237.03862	5.4
239.05460	1.1
243.13785	2.8
245.04456	74.5
246.04767	2.7
247.10027	1.3
261.14813	6.2
263.05511	100.0
264.05869	3.2
269.08057	1.8
273.07492	4.5
281.06458	16.6
283.78094	1.3
285.07550	21.6
286.08026	2.0
297.07553	15.1
297.10828	1.3
311.09137	1.5
315.08478	2.5
315.81622	1.0
321.16937	1.4
323.09177	6.3
323.12570	1.6
327.08640	3.5
330.10913	3.1
337.10901	1.3
339.08646	51.5
340.09055	2.3
341.10187	2.4
347.14923	1.8
351.12512	1.5
353.09979	1.4
365.10226	30.3
365.14999	1.3
383.11197	28.3
383.15491	2.7
384.11127	1.4
401.12149	9.7
402.18915	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	401.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.6
55.05492	0.9
59.37666	0.9
67.05490	3.6
69.03421	3.4
69.07053	1.8
79.05506	4.6
81.03426	6.9
81.07063	2.6
90.25624	1.1
91.05487	3.6
93.03371	1.0
93.07064	2.8
95.01332	30.6
95.04968	9.1
95.08617	2.8
98.21514	3.6
103.05482	1.1
105.04572	0.9
105.07047	6.6
107.04943	1.7
107.08590	2.1
109.06550	1.2
115.05476	1.7
117.07025	2.1
119.04913	1.5
119.08566	2.7
121.06475	2.1
121.10130	1.8
128.06229	3.5
129.07022	4.5
131.04948	2.8
131.08568	4.3
133.06499	4.2
135.04384	1.1
141.06984	2.8
142.07762	1.2
143.08553	4.0
145.06502	3.8
145.10089	2.2
147.04413	1.6
147.08031	2.0
149.05975	1.0
152.06145	1.2
153.06973	3.6
155.08531	6.5
156.09344	1.6
157.06468	3.7
157.10175	3.2
159.08069	2.0
159.11682	1.6
161.05960	6.4
161.09573	1.2
165.07005	5.7
166.07758	1.7
167.07257	1.2
167.08534	5.2
168.09372	2.4
169.06497	2.4
169.10141	4.9
171.04451	1.2
171.08035	7.1
171.11659	1.5
173.05969	1.9
173.09628	1.1
175.07605	1.7
178.07802	2.4
179.08492	4.9
180.09319	3.6
181.06555	2.3
181.10132	4.0
183.08028	9.4
183.11649	6.2
185.05980	4.9
185.09572	2.3
189.05492	1.3
191.08531	2.4
192.09299	3.4
193.10130	6.3
194.10965	1.6
195.08072	3.4
195.11687	17.7
196.08881	5.2
197.09639	1.7
197.13295	2.5
199.11153	1.3
201.05507	3.0
201.09203	1.2
202.07823	2.7
203.06917	2.0
203.08592	2.7
204.09401	2.2
205.06567	1.2
205.10211	2.2
206.10986	1.5
207.08128	1.8
207.11650	5.6
208.08810	1.2
209.09688	3.8
209.13336	3.3
211.07738	2.1
211.11194	33.5
213.08978	0.9
213.12756	1.3
215.08594	3.9
215.10512	1.2
216.09323	2.6
217.10223	5.0
218.10779	1.6
219.08029	4.0
219.11707	3.0
220.08849	3.3
221.09615	5.0
221.13327	2.3
222.10355	1.1
223.11275	2.2
224.46654	0.9
225.05342	1.3
225.09221	1.1
225.12770	3.4
228.09386	2.7
229.10217	4.7
229.77707	1.5
230.10831	3.1
231.08093	3.5
231.11743	4.5
232.08813	3.7
233.09642	4.9
234.10300	1.5
234.14154	1.4
235.07623	1.5
235.11133	8.0
235.14745	1.3
237.12790	3.2
238.13492	1.8
239.08553	3.2
239.10709	2.3
240.09177	2.2
241.10092	3.1
242.10960	3.8
243.08044	1.8
243.11829	5.1
244.08815	2.6
244.12411	1.8
245.09676	9.3
245.13260	3.0
246.10417	3.9
247.11215	3.0
248.08354	2.0
249.09160	2.4
249.12788	2.5
252.09317	2.2
253.10030	2.9
253.12364	2.1
254.10977	2.8
255.08006	4.7
255.11632	3.7
255.14059	1.4
256.08881	3.8
256.12299	2.2
256.14700	2.0
257.09683	3.6
257.13297	3.5
258.07635	1.8
258.10413	4.1
258.13730	1.0
259.11176	5.4
260.12015	2.1
261.09103	1.5
261.12714	2.5
263.10742	3.9
265.12454	1.3
267.11731	3.2
268.08875	1.5
268.12506	1.7
269.09647	7.1
269.13324	3.0
270.10391	10.1
270.13235	1.4
271.08350	1.6
271.11194	8.9
272.12064	4.0
273.09183	7.4
273.12390	5.2
274.09958	2.7
274.13428	1.4
275.10492	2.2
275.14334	1.5
277.09042	1.2
277.12384	2.0
277.16058	1.8
279.11249	1.6
281.09488	2.7
281.12067	1.8
282.10474	3.6
283.11160	6.6
283.14075	1.4
284.12006	2.9
285.09207	4.6
285.12756	10.1
286.10187	1.3
287.10800	2.6
287.14359	6.6
288.11597	1.7
288.14935	1.5
289.12360	1.9
289.15948	1.9
291.10193	1.6
295.11172	4.4
295.16815	2.5
296.11969	3.2
297.09137	3.7
297.12720	4.3
298.09967	16.1
298.13251	2.3
299.10681	7.9
299.13751	1.6
300.11398	3.5
301.08954	1.8
301.12262	6.6
301.15570	1.3
302.13068	1.9
303.10550	1.1
303.13870	4.2
305.11996	1.9
305.15387	1.8
307.11130	1.5
308.08002	1.1
311.10635	2.2
311.14398	1.3
312.11429	4.1
312.14847	1.5
313.12259	26.0
313.15903	3.6
314.12888	2.9
315.10223	3.0
315.13782	10.6
315.17233	1.8
316.10977	2.6
316.14609	5.3
317.11731	6.2
317.15079	1.8
318.12473	1.2
322.13370	1.6
323.10724	2.5
325.08789	1.4
325.12390	3.0
326.09424	1.8
326.12964	2.4
327.10126	2.0
327.13742	1.4
327.17352	3.3
329.11740	4.0
329.15457	2.2
330.12418	3.1
331.13306	8.3
331.16861	2.4
333.14929	4.4
337.15927	2.4
339.13721	1.6
340.14642	4.0
341.11731	12.9
341.15509	3.1
343.13388	2.0
344.10403	1.6
345.14865	1.5
345.18555	2.7
355.16940	21.6
356.17651	1.7
357.14749	1.3
357.18555	7.0
358.12033	2.5
359.12741	24.6
359.16595	4.7
365.15204	3.8
368.14468	1.1
373.18060	22.5
383.16409	23.5
384.14276	1.3
386.15176	1.8
401.17496	100.0
402.17670	1.9
411.63541	1.0
419.18643	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60137	1.8
53.01773	2.0
53.03942	2.7
55.01868	2.4
57.03434	3.2
64.43307	2.0
65.03944	4.5
67.05493	3.9
69.03426	6.5
69.64953	10.3
70.06593	14.2
71.05008	2.2
72.08160	6.2
78.04729	1.8
79.05485	18.7
81.03413	7.1
81.07054	9.7
83.04985	2.9
84.04512	2.6
84.08126	2.7
85.02901	7.0
86.09715	9.7
91.05474	9.0
93.07071	2.1
94.04211	2.5
95.04456	2.2
95.04953	12.8
95.08612	3.9
97.02908	3.8
97.06504	3.3
105.03387	2.3
105.04455	1.9
105.07024	5.5
107.04949	29.9
109.02854	3.6
109.06465	3.7
115.05444	6.8
116.06200	3.3
117.07027	5.8
119.04964	3.1
119.08537	2.0
121.06503	3.9
123.04447	9.8
124.05231	6.0
125.06003	2.5
127.07603	2.5
128.06201	4.1
129.07010	10.4
130.07779	3.0
131.04956	2.4
131.08548	10.8
133.02806	2.9
133.06432	3.7
133.10081	3.3
135.04373	3.8
137.05981	4.3
141.07016	7.9
143.08598	2.2
144.05692	11.5
145.06477	7.4
145.10236	2.1
151.03894	3.6
152.04680	5.5
153.05481	5.0
153.06793	2.0
154.08667	13.0
156.05696	16.6
157.06525	6.6
158.07275	4.3
159.08031	19.7
161.06001	4.9
163.03914	5.5
167.07040	100.0
168.07413	2.0
169.13176	2.0
170.07228	9.8
171.08081	3.1
173.06018	6.9
175.07524	4.4
177.05508	2.4
177.09203	2.5
179.06999	4.1
181.04990	7.1
181.06490	2.9
181.08577	3.6
183.06558	11.6
184.05107	2.7
185.05849	2.5
186.06854	3.9
187.07535	14.0
189.05408	3.5
189.09088	3.5
191.06996	3.8
191.08533	4.2
193.06743	2.3
193.08633	6.0
195.06528	6.0
201.05458	2.7
201.09055	4.1
202.06284	4.3
202.07904	4.3
203.07002	6.3
204.07756	2.3
205.06677	3.9
205.08623	13.3
207.06470	4.9
208.05183	20.5
210.06886	3.2
211.07588	4.6
215.08533	4.5
216.07797	4.0
217.08600	36.4
218.07164	5.9
218.09331	7.7
219.08067	11.6
219.10162	21.1
220.08794	4.0
221.06049	5.3
221.09753	2.8
224.67993	2.3
229.08525	8.0
231.08017	9.4
231.10202	19.4
233.09619	3.8
234.06718	4.0
235.07530	4.5
236.04697	9.2
236.08261	4.5
237.09004	2.5
238.06294	3.0
239.07018	3.2
240.04190	2.8
245.09615	4.9
246.06763	2.2
247.07654	16.3
247.09682	20.0
248.08305	13.6
249.05316	3.0
249.09036	4.8
251.10748	4.1
254.05751	12.9
255.06276	2.8
259.07471	4.5
260.08334	3.1
261.09152	4.9
262.06290	3.4
262.09705	4.6
263.07098	3.5
263.10663	10.7
264.07819	6.5
265.08493	7.2
267.06509	9.3
269.08023	20.4
271.09641	6.7
272.07333	2.3
275.07053	8.7
276.07785	10.7
277.08612	8.1
279.06906	2.4
279.10120	9.6
280.07413	3.3
282.05838	2.6
282.08847	15.0
284.06760	3.0
285.07629	2.5
287.09140	2.9
290.09390	6.6
291.10068	14.8
292.07339	4.3
293.07986	6.1
297.07712	2.6
299.09164	5.0
301.07065	5.0
304.07257	2.8
305.08197	5.2
307.06161	3.5
307.09564	14.4
308.10513	10.0
309.07709	3.7
309.11188	4.4
310.08325	8.9
315.08627	71.1
316.09018	4.8
318.09183	2.4
319.09729	10.8
321.07724	4.2
323.09256	3.7
323.12793	14.7
325.10724	3.6
328.09515	6.4
330.10962	72.9
331.11771	15.6
335.09067	4.4
336.09924	6.2
337.10538	13.0
338.11539	3.4
339.12277	9.9
341.10080	2.8
343.11826	18.6
351.12256	31.6
352.13107	4.7
353.10193	7.9
356.12396	4.2
368.12579	11.0
369.13428	11.3
370.13788	3.4
371.14978	3.4
383.14877	61.6
384.15399	2.5
401.11371	3.5
401.16025	46.0
401.28906	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	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.0
67.05495	4.4
69.03420	9.9
69.07059	3.8
69.59126	8.3
69.59553	13.5
70.06325	2.7
70.06593	31.2
72.08152	24.6
72.39248	3.1
79.05499	20.2
81.03419	6.7
81.07037	9.6
84.08124	11.2
85.02894	13.3
86.09219	5.2
86.09705	55.4
91.05458	11.9
93.07034	4.1
95.04954	8.9
95.08609	4.1
98.20818	4.5
99.04429	4.4
103.05420	3.9
105.03369	5.7
107.04964	29.1
107.08630	3.8
109.02856	7.7
115.05481	3.2
116.07068	6.1
121.02909	5.3
122.42194	3.1
123.04433	4.6
124.05198	7.5
125.05924	4.9
127.03905	7.0
129.06975	8.4
129.10187	4.1
131.04890	3.9
131.08568	15.2
134.06024	6.3
136.07593	3.7
141.06961	6.5
144.05693	9.4
145.06537	6.5
147.04350	5.1
149.05951	4.4
156.05693	10.6
157.06502	5.0
158.07243	4.1
159.07994	19.3
159.09204	4.2
163.03929	8.2
167.07033	100.0
181.04930	7.4
185.16502	7.9
186.06665	4.6
187.07472	6.8
189.12384	7.2
191.08571	5.2
203.08606	4.2
205.08603	14.0
207.06470	7.7
208.05127	18.1
213.16010	6.6
217.08557	42.1
218.07289	5.4
219.08084	9.1
219.10065	7.6
221.06003	8.2
229.08473	3.7
231.07962	10.0
231.10083	6.1
233.09563	8.2
236.04707	6.0
236.08333	5.0
237.09015	4.1
247.07477	12.4
247.09709	24.5
248.08339	11.3
249.05447	4.1
249.08937	4.6
251.07077	6.2
254.05577	9.7
261.09027	6.7
262.09854	4.2
263.06870	4.7
263.10715	13.8
264.07813	7.2
265.08606	5.5
267.06433	9.5
268.11404	3.8
269.08047	20.4
271.09842	8.0
275.06982	4.5
276.07742	9.5
277.08636	7.0
278.83722	4.5
279.10211	10.6
282.08914	16.0
285.07507	3.8
287.09195	4.7
290.09210	4.2
291.10007	20.9
293.07990	9.3
299.09030	4.9
300.06088	4.2
305.07971	3.7
307.09662	12.0
308.10300	7.0
310.08282	7.2
315.08597	76.7
316.08926	4.0
319.09586	10.2
323.12674	14.2
330.10947	82.3
331.11594	13.8
336.09985	4.1
337.10632	5.3
339.12381	7.8
343.11807	23.7
351.12317	24.4
352.12848	4.7
353.09900	6.0
368.12906	5.4
383.14853	67.9
384.15161	5.8
401.16028	25.9
401.28845	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	401.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
53.46210	1.5
55.01865	7.4
55.05501	4.9
57.03424	4.9
58.85688	1.5
65.03937	3.7
67.05494	4.6
68.99788	6.3
69.03429	77.5
69.07044	2.0
70.06578	4.1
71.04984	2.7
71.52168	2.0
72.08151	2.2
77.03941	1.9
77.82816	1.6
78.04701	1.9
79.05492	21.2
81.03403	7.9
81.07056	10.2
83.04983	3.5
84.08152	2.1
85.02927	9.1
86.09698	3.5
87.00806	1.8
91.05031	1.5
91.05482	15.1
93.03411	1.9
93.07048	9.5
95.04995	12.8
95.08601	4.8
97.02877	3.0
97.06525	5.1
99.04473	3.1
105.03385	7.8
105.07030	7.1
107.04953	41.0
107.08591	6.5
109.02876	9.1
109.06512	3.4
109.10132	3.4
111.00710	1.9
111.04438	9.6
111.08081	1.9
115.05478	4.9
116.06230	2.4
117.07008	3.8
119.04952	13.2
119.08591	4.5
121.02885	8.6
121.06493	5.4
121.10149	2.7
122.03583	1.8
123.04412	14.0
123.08038	1.9
124.05199	3.0
125.06004	8.9
125.06795	2.0
127.03899	6.1
128.06258	3.0
129.06946	6.9
131.04915	4.8
131.08585	11.1
133.02849	3.1
133.06497	3.8
133.10144	2.1
135.04419	43.8
135.11690	6.5
136.04715	2.2
137.05968	3.2
141.01842	2.5
141.06987	4.5
143.08571	2.3
144.05669	4.8
145.06438	6.1
145.10075	2.9
147.04402	36.0
147.08041	1.9
149.02359	3.0
149.05972	5.7
151.03900	5.3
151.07544	3.0
153.01819	18.7
153.05502	2.5
153.12735	3.2
156.05701	7.4
157.06393	2.9
157.10045	1.8
159.08028	12.5
160.42957	1.8
161.05959	4.7
162.09180	2.0
163.03926	21.1
163.07527	1.9
165.01831	48.2
166.02179	2.0
167.07037	73.5
168.00546	5.1
169.07619	2.2
171.04456	3.0
173.06012	3.4
173.09584	1.8
175.03859	5.0
175.07455	2.6
176.36066	1.6
177.01814	23.2
177.05496	6.9
179.03424	7.7
179.07031	2.6
181.04961	6.4
183.02898	33.2
184.05154	2.9
186.01622	2.5
186.06862	2.2
187.07526	6.6
189.01744	1.9
189.05457	6.4
189.09067	1.6
191.03398	58.0
191.07037	4.4
191.08554	2.8
193.04913	5.4
193.06577	2.1
193.08508	4.0
195.02869	22.1
195.06560	3.9
201.05377	1.9
202.06198	3.0
202.07863	2.2
203.03406	31.2
203.08531	1.9
205.06685	2.8
205.08607	11.8
207.02835	9.3
207.06508	5.2
207.08237	2.0
208.05199	14.3
208.08699	2.6
209.04414	4.9
211.07591	2.5
217.05026	15.7
217.08569	23.1
218.07355	2.3
219.02892	82.5
219.08069	8.5
219.10167	7.6
220.03119	2.6
220.08817	3.0
221.04190	9.7
221.06073	4.6
221.09685	2.1
229.08698	2.6
231.08057	4.8
232.08798	2.3
233.06068	2.0
233.09659	4.2
235.05853	3.6
236.04695	4.1
236.08281	2.1
237.04012	5.1
239.07024	2.7
240.04291	2.9
243.06502	2.4
245.04465	67.6
246.06924	2.1
247.07495	7.6
247.09685	12.9
248.08400	8.1
249.09099	1.9
254.05823	6.8
255.06451	2.1
257.04840	1.7
259.07645	2.8
261.09030	3.7
261.14655	2.3
263.05478	100.0
263.10690	7.1
264.07916	5.9
265.08624	5.5
267.06519	4.7
269.08054	16.7
271.05896	3.1
271.09592	7.7
272.06979	2.3
275.06943	4.5
276.07883	5.5
277.08563	4.4
279.06491	1.8
279.10178	7.3
280.10956	2.5
281.06381	14.8
282.05713	4.1
282.08798	12.1
283.06314	2.2
285.07541	20.8
286.04718	15.3
287.09073	2.3
290.09457	3.7
291.10059	10.3
292.07324	3.8
293.08078	8.1
297.07559	18.0
299.05444	6.3
299.08960	2.7
301.03415	17.5
301.06845	3.8
304.07501	2.6
305.08163	2.4
305.11612	2.0
307.09705	10.2
308.10358	5.7
309.07678	2.9
310.08240	4.6
311.12482	2.3
314.04340	3.6
315.08633	53.2
315.12332	2.8
319.09598	7.0
321.07578	4.0
323.09000	8.0
323.12817	11.7
324.09787	2.1
325.06992	4.4
325.10599	2.3
327.08740	4.3
328.09277	4.6
329.06546	45.5
330.07169	3.9
330.10901	56.4
331.11688	9.3
336.09921	3.6
337.10577	8.5
339.08633	53.6
339.12299	8.0
340.09143	4.2
341.10236	2.2
343.11649	16.1
351.12292	20.4
352.13095	3.5
353.09943	4.9
354.10730	2.7
355.11731	2.7
356.12317	2.1
365.10196	30.3
368.12451	8.7
369.13370	4.7
371.14896	4.2
383.11020	24.4
383.14972	37.3
390.37195	2.1
401.11798	44.7
401.16190	11.8
401.27209	2.1
402.12473	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06365	1.0
51.02374	1.4
53.03949	1.5
55.01865	5.0
55.05503	2.6
56.79948	1.2
57.03421	2.6
61.02911	1.3
65.03923	1.6
67.05488	4.6
68.99792	5.8
69.03428	83.1
69.07056	2.0
69.87300	6.2
70.06593	4.2
71.04980	1.5
72.04620	1.1
72.08131	2.7
72.94859	1.0
77.18341	1.3
77.42201	1.1
79.05483	9.2
81.03406	8.5
81.07060	6.8
83.04970	1.7
85.02905	8.8
85.70939	1.5
86.09681	4.8
87.00817	1.3
91.05476	9.0
93.03424	1.8
93.07042	6.6
95.04964	13.2
95.08566	3.1
97.02887	3.2
97.06514	3.4
99.04436	3.6
103.05481	1.5
105.03374	7.4
105.07050	6.1
107.04948	19.3
107.08596	7.2
109.02896	7.0
109.06485	3.5
109.10149	2.8
111.00816	1.8
111.04427	10.3
115.05460	1.3
117.07027	1.9
119.04933	9.0
119.08552	4.0
120.08057	2.2
121.02840	6.4
121.06484	5.3
121.10124	2.3
123.04421	11.2
123.08074	1.5
125.05987	6.5
126.82375	1.3
127.03905	3.8
131.04909	1.9
131.08583	2.9
133.02815	1.7
133.06490	2.4
133.10133	2.1
135.04410	46.5
135.11685	1.7
137.02380	1.7
141.01825	2.5
145.02913	1.6
145.06480	1.6
145.10046	1.5
147.04402	38.3
147.11688	1.4
149.02325	2.2
149.05963	3.6
151.03848	2.5
153.01826	18.9
153.05449	3.5
153.12730	2.2
157.10150	2.0
159.04411	1.6
159.07994	2.7
159.11742	1.2
161.05873	1.6
161.13271	1.2
163.03894	18.7
164.04239	1.7
165.01840	55.4
166.02040	1.6
167.07025	5.5
171.04376	2.7
175.03922	4.3
177.01839	22.0
177.05452	5.2
177.12865	1.3
179.03352	6.9
181.04973	2.2
183.02890	31.6
183.04495	1.8
189.01793	1.6
189.05461	4.2
191.03392	53.0
192.03658	1.9
193.04965	4.7
195.02895	19.1
197.00848	3.1
199.03772	1.6
203.03387	29.2
207.02887	9.9
207.06438	2.2
209.04482	5.2
217.04948	19.6
219.02882	93.3
220.03200	3.0
221.04446	14.1
223.02469	1.8
235.05972	3.2
237.03915	6.7
243.13849	1.5
245.04451	78.8
246.04803	2.6
261.14828	3.0
263.05505	100.0
264.05869	3.8
269.08282	1.7
273.07584	4.8
281.06516	15.7
285.07623	17.8
286.59787	1.1
297.07642	16.1
309.07663	1.8
315.08746	2.1
323.08954	8.0
327.08578	4.7
330.11169	2.4
337.10715	2.2
339.08633	51.6
339.12766	2.6
340.08865	2.7
341.09979	2.8
351.12292	1.5
365.10202	33.9
366.10403	1.9
383.11185	27.4
383.15466	1.1
384.11258	1.6
401.12085	10.5
402.18982	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	401.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
53.55851	1.0
54.62056	0.8
55.01864	3.6
55.05511	1.3
57.03413	2.3
61.02925	1.0
65.03926	1.3
66.10991	0.9
66.81187	0.7
67.05502	2.5
68.99775	7.6
69.03427	76.2
69.07067	2.0
69.93464	2.2
69.93858	2.0
70.03752	1.1
70.06598	1.0
76.25809	0.9
79.05488	6.0
81.03422	5.4
81.07030	3.9
83.04955	2.6
85.02882	5.1
85.81339	1.0
91.05474	5.1
93.03397	2.2
93.07033	2.6
95.04955	13.4
95.08594	1.7
97.02872	3.2
97.06503	1.5
99.04457	2.7
100.30853	0.9
103.05448	1.5
105.03366	2.2
105.07021	4.2
107.04944	20.6
107.08582	2.5
108.55438	0.9
109.02882	6.8
109.06477	1.6
111.00807	2.0
111.04446	9.2
117.07000	1.2
119.04937	11.8
121.02847	6.9
121.06495	4.6
121.10136	1.1
123.04402	7.6
125.05984	6.4
127.03923	2.5
131.04932	2.8
133.06493	2.1
133.10138	1.5
135.04408	44.9
135.11674	1.3
137.02354	2.1
141.01793	2.6
143.04916	1.0
147.03235	2.0
147.04407	40.1
149.02354	2.3
149.05972	3.9
151.03870	3.1
152.04590	0.9
153.01823	14.5
153.05411	3.7
157.06456	1.3
159.04474	1.5
161.02341	1.1
161.05920	2.9
163.03902	21.0
165.01828	59.6
167.07027	6.4
171.03009	1.1
171.04387	2.7
175.03926	5.7
177.01817	17.5
177.05406	3.8
179.03398	8.6
181.04930	4.6
183.01340	1.9
183.02890	28.0
183.04515	1.6
189.01814	2.9
189.05476	4.3
191.03383	60.2
192.03712	1.6
193.05025	4.8
195.02887	22.3
197.04358	1.1
197.09850	1.1
199.03891	1.2
201.05463	1.9
203.03389	32.8
204.03526	1.1
205.01279	1.9
207.02873	8.7
207.06459	1.7
208.05133	1.0
209.00763	1.2
209.04395	4.4
217.04967	16.6
217.08472	1.7
219.02878	96.5
220.03178	4.0
221.04445	14.0
227.03357	1.0
235.05995	3.0
237.03909	3.2
243.06499	1.1
245.04448	75.6
246.04770	4.1
247.09703	1.1
263.05490	100.0
264.05835	4.1
269.08063	2.0
273.07559	4.1
275.06818	1.0
277.08502	1.2
281.06482	13.6
285.07532	21.5
297.07510	15.1
298.07877	1.6
301.03448	1.1
309.07547	1.8
311.09216	1.5
315.08771	4.6
323.09033	5.5
323.12482	2.1
325.07190	1.1
327.08496	3.6
329.06497	1.5
330.10962	4.3
337.10541	2.0
339.08600	45.8
340.09052	2.4
341.10150	2.8
351.12125	1.4
351.35834	1.1
365.05841	1.9
365.10193	30.9
366.10629	2.5
383.11081	26.6
383.14780	2.0
384.11584	2.2
401.12076	12.4
402.13037	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	400.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
57.03445	1.6
59.59513	0.2
61.02909	0.5
69.03435	2.8
69.87399	0.6
69.87814	0.5
70.06592	1.1
71.01359	0.6
72.08151	0.3
73.02905	0.9
81.03406	0.3
84.08131	0.3
85.02901	2.1
86.09702	0.3
87.04446	0.4
94.04052	0.4
95.04980	0.2
97.02892	2.0
99.04457	0.2
108.73029	0.2
109.02901	0.3
115.03912	0.8
119.03558	0.9
119.99242	0.2
123.04392	0.3
127.03944	0.5
132.04453	0.3
133.04967	0.8
136.06184	100.0
137.04613	0.5
137.06638	1.0
141.06602	0.2
143.03366	0.2
145.04985	0.3
152.10674	0.3
178.04991	2.5
187.06038	0.3
194.04637	0.2
205.03906	0.3
206.04483	4.8
220.06143	0.3
222.03915	0.3
224.18285	0.3
238.03381	1.1
238.10696	0.5
251.09529	0.2
268.10410	7.8
283.69495	0.2
400.14728	4.0
414.71744	0.2
414.78339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
53.23538	0.2
54.32406	0.3
55.01875	0.5
55.29007	0.2
56.25177	0.2
61.43570	0.3
67.05506	0.4
69.03436	1.6
70.06598	0.3
71.08061	0.7
72.15690	0.3
77.03944	0.4
79.05494	1.6
81.03425	1.3
85.02911	2.8
87.00860	1.1
91.05486	3.2
95.04975	0.6
96.37313	0.4
97.02927	0.8
99.04465	0.5
105.01881	0.7
106.06551	5.3
106.07259	0.4
109.02877	1.3
109.06526	0.9
116.04968	3.5
120.08062	0.4
127.03887	1.6
132.04517	0.5
132.08107	0.4
133.02773	0.3
134.06012	100.0
135.06342	1.4
145.04987	0.5
146.06026	0.6
148.07576	1.6
152.07062	67.0
153.07419	0.7
159.02934	0.3
164.07025	0.4
176.07053	0.6
194.08253	0.3
198.46220	0.3
210.68890	0.3
231.05009	0.4
235.63264	0.3
259.04779	0.7
260.44272	0.3
268.23849	0.3
287.04233	0.4
302.06583	1.9
303.07272	0.8
324.08743	0.5
364.10120	1.0
400.09613	0.3
400.14026	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	399.3258
Annotation	Calicoferol G
Peak:m/z	Relative Intensity
53.03942	0.7
55.05515	3.4
57.07064	1.4
58.70443	0.5
67.05504	5.3
69.03417	1.1
69.07066	5.8
70.78569	0.9
71.08627	0.7
77.03920	0.5
79.05499	3.9
81.07055	13.3
81.69865	0.4
83.08611	1.7
85.06515	0.5
91.05478	4.6
93.06487	0.7
93.07042	11.2
95.04985	1.1
95.08605	17.6
97.06540	1.4
97.10187	1.0
105.07030	10.7
107.08599	18.2
109.06506	2.5
109.10149	12.1
111.08109	0.7
114.06431	0.5
116.42550	0.5
117.06982	2.5
119.08585	14.8
121.06491	3.8
121.10146	13.1
123.08071	1.4
123.11709	7.6
129.07014	1.0
131.08574	5.1
133.10121	10.7
135.08078	1.9
135.11693	16.0
137.13251	2.5
143.08536	1.1
144.09346	1.9
145.10109	4.5
147.08051	1.1
147.11690	9.9
149.09604	0.8
149.13260	7.5
151.11188	1.6
153.12730	0.7
157.10104	1.5
159.11703	15.2
161.09595	0.8
161.13235	5.4
163.11174	1.2
163.14816	3.3
169.10094	0.6
171.11679	1.6
173.09590	0.6
173.13293	4.7
175.11171	2.8
175.14821	3.0
177.12747	18.2
177.16310	1.9
185.13293	1.3
187.14836	1.8
189.12762	1.5
189.16385	3.2
191.14291	6.0
191.17957	10.2
199.14902	1.0
201.12730	1.1
201.16385	2.1
203.14296	1.4
203.17934	4.8
205.19525	2.1
215.14328	1.2
215.17943	1.1
217.15894	1.3
217.19559	1.8
219.17366	0.6
227.17935	1.3
229.19501	1.3
231.17487	0.7
241.19547	0.9
243.17424	0.6
245.19019	3.3
255.21085	0.6
259.20593	2.8
267.21143	0.5
271.20569	1.4
285.22253	1.1
297.21912	0.6
311.23563	0.6
363.30487	1.7
375.30258	0.5
381.31512	24.2
382.32108	0.5
399.32571	100.0
400.32901	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	399.2895
Annotation	17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate
Peak:m/z	Relative Intensity
53.03946	2.0
55.01873	1.2
55.05509	5.4
57.07063	2.7
57.83918	0.7
60.04516	0.8
61.18226	0.8
65.03941	1.5
67.05504	14.2
69.03436	1.9
69.07071	7.4
69.33403	7.3
71.04990	2.0
79.05489	22.5
79.92206	0.8
80.44022	0.8
81.07055	100.0
82.07368	1.6
82.68352	0.9
83.04984	1.0
83.08618	3.5
85.06537	3.0
91.05476	14.1
93.07041	17.6
95.04964	2.3
95.08605	26.2
96.08926	0.9
97.06522	2.9
97.10173	1.8
98.20728	0.9
103.05512	0.9
105.07029	19.4
107.04987	1.0
107.08595	27.0
108.08945	0.9
109.06518	33.2
109.09464	1.6
109.10153	18.0
111.08087	2.3
115.05434	1.1
117.07011	5.4
119.08581	25.9
121.06527	3.2
121.10139	18.6
123.08076	3.3
123.11702	10.4
125.09635	3.3
128.06216	1.0
129.07030	2.2
131.08562	10.1
133.06456	1.5
133.10139	20.4
135.08061	14.9
135.11685	13.6
137.09613	2.1
137.12254	0.8
137.13188	4.0
141.07039	0.9
142.07739	1.9
143.08549	5.2
144.09352	1.2
145.10130	13.2
147.11684	16.9
147.12808	1.3
149.09633	13.8
149.13264	5.2
151.11176	7.9
153.12740	0.9
155.08522	1.7
157.10118	8.4
158.10876	1.1
159.11697	15.9
161.09618	2.5
161.13251	9.3
163.11189	3.2
163.14813	2.8
167.08478	0.9
169.10127	1.9
170.10942	1.1
171.11708	5.5
173.13268	9.3
175.11237	3.4
175.14790	6.1
177.09186	1.3
177.12744	10.0
177.16388	1.6
179.10666	2.0
183.11696	3.3
185.09708	0.8
185.13214	5.9
187.14873	6.4
189.12787	2.0
189.16374	14.9
191.14301	3.7
191.17967	7.1
193.12207	6.3
197.13268	2.7
199.14813	5.6
200.15521	1.5
201.12747	2.9
201.16383	5.5
203.14348	2.6
203.17984	4.8
205.15808	1.0
205.19475	1.2
209.13403	0.9
209.15401	1.1
211.14838	2.1
213.16374	3.0
215.14322	2.3
215.17967	6.8
217.15936	1.5
217.19467	1.2
219.13866	1.2
223.14912	1.3
227.14345	2.6
227.17915	3.6
229.15894	1.1
229.19519	7.0
231.21088	2.1
241.15860	1.6
241.19771	1.0
243.21220	1.6
245.18961	2.0
255.21123	4.2
257.19058	2.0
267.17590	0.9
271.20654	1.6
272.21365	0.9
273.22064	5.0
283.20551	0.9
289.21362	1.2
293.22641	1.8
311.23703	1.0
319.24533	0.9
321.25763	1.1
337.25299	2.2
353.28430	1.1
363.26840	5.4
381.27826	29.1
381.31717	6.5
399.28870	80.9
399.32770	27.7
400.28851	6.6
400.33530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78925	3.0
53.03936	7.3
55.01851	3.7
55.05501	9.2
57.03425	7.3
57.07054	4.2
61.02938	5.5
67.05511	25.7
69.03424	32.3
69.07082	20.2
70.06593	100.0
70.45107	10.0
71.04984	10.6
71.06908	5.1
72.08142	7.3
79.05491	20.6
81.03423	14.9
81.06590	4.9
81.07056	75.1
83.04971	7.4
84.04459	5.1
84.08138	10.2
85.02908	33.8
85.06555	4.2
86.09229	4.7
86.09709	56.1
87.00842	5.8
91.05485	25.6
93.07040	41.8
95.04971	8.6
95.08611	33.4
97.02885	18.5
97.06511	10.9
99.04449	7.3
105.01876	3.2
105.03429	6.7
105.07028	38.1
107.04941	6.1
107.08594	30.7
109.02866	14.3
109.06522	12.1
109.10154	31.6
110.07156	4.4
111.04442	6.0
111.08039	7.3
116.07111	16.4
117.07040	4.1
119.08570	22.4
120.08099	5.7
121.02863	8.2
121.06530	4.7
121.09475	3.5
121.10153	43.9
123.08061	7.1
123.11706	7.7
125.09644	3.6
127.03912	15.3
127.08639	3.6
127.11228	3.6
130.06528	19.4
131.08571	18.2
132.08052	6.1
133.10146	16.8
135.11687	8.7
136.06206	4.3
137.09633	3.6
143.08594	3.4
145.04984	9.2
145.10115	35.4
145.67201	3.3
147.11687	10.0
149.07393	6.4
149.09561	4.1
149.13210	6.8
151.03905	7.2
151.11145	14.7
152.01657	7.6
157.10126	6.5
159.02895	4.2
159.09193	23.6
159.11707	27.4
161.06023	3.3
161.13251	14.3
162.09056	4.3
163.11168	9.3
170.06018	7.4
171.11711	3.5
173.13246	6.3
177.12775	3.4
183.14951	3.3
189.05447	3.4
201.12636	3.3
201.16403	23.7
213.12366	23.5
219.06548	4.3
219.17352	7.1
227.10857	3.7
229.15547	7.2
237.18419	3.5
239.11952	5.7
250.09320	3.6
251.08217	3.9
256.14398	6.7
284.14047	5.4
299.05591	20.9
321.14761	3.3
349.20514	5.6
363.15033	3.3
381.16418	4.7
399.10715	9.0
399.17648	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	399.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26186	3.1
53.03940	8.9
55.01876	7.3
55.05512	21.6
57.03418	8.2
57.07069	3.8
61.02938	6.1
67.05506	35.1
67.18002	3.2
68.99784	3.8
69.03423	24.9
69.07066	21.6
70.06594	95.9
71.05003	15.2
71.06936	7.2
71.08617	4.4
71.51917	5.2
72.08155	6.8
73.02921	4.7
79.05490	30.8
81.03001	3.0
81.03419	24.3
81.07059	100.0
82.07422	4.0
83.04990	9.4
83.08636	4.1
84.08163	5.8
85.02911	51.1
85.06538	8.2
86.09715	45.0
87.00842	3.7
91.05489	30.6
91.63755	3.0
93.07043	56.1
95.04980	13.4
95.08615	36.8
97.02903	18.9
97.06541	8.5
97.10203	3.5
98.06103	3.7
99.04473	8.9
99.08089	4.2
100.29314	2.9
103.05422	4.2
105.01884	5.3
105.03392	6.1
105.07030	51.0
107.04961	9.9
107.08591	53.7
109.02897	15.3
109.06530	14.3
109.10166	45.2
110.07147	3.6
111.04443	5.3
111.08099	9.1
112.08755	5.0
116.07066	17.0
117.07024	9.3
119.04976	4.3
119.08576	34.5
120.08126	3.6
121.02858	7.5
121.10142	57.7
123.04375	4.9
123.08066	9.7
123.11699	15.9
125.06016	4.3
125.09649	5.3
127.03919	27.8
127.08730	3.7
127.11241	6.8
128.06207	3.6
129.07024	4.8
129.10213	3.2
130.06519	12.8
131.08577	18.5
133.10107	22.4
135.08055	6.4
135.11670	16.4
137.09612	6.3
144.09360	3.7
145.04956	8.5
145.10121	44.2
147.04509	4.0
147.11699	13.2
149.09630	5.7
149.13251	7.5
151.03922	6.4
151.11188	14.4
152.01703	5.0
152.07126	3.4
155.10658	3.8
157.10167	4.8
159.09196	10.8
159.11665	29.8
161.13255	21.5
162.09106	4.6
163.07536	5.2
163.11188	12.4
170.06017	3.6
171.08029	3.5
171.11618	4.3
173.13263	8.6
173.24850	3.2
175.11226	4.8
177.16425	4.6
187.08670	3.9
201.16385	39.4
207.06549	5.8
211.07477	3.3
213.12401	9.1
219.13820	3.2
219.17461	10.7
227.10750	7.5
229.15639	5.7
237.07750	3.7
250.09554	3.3
261.04172	3.4
267.10287	5.1
285.11316	4.3
297.27527	3.1
299.05457	48.0
299.08627	5.2
309.11237	7.5
311.16260	3.9
313.10638	6.3
315.05020	4.3
321.15054	4.2
325.10495	3.7
339.15738	4.7
349.20572	6.5
381.16913	12.5
384.71704	4.4
399.10672	24.6
399.17834	18.7
399.25223	7.1
400.21930	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	399.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58213	1.2
57.16359	1.1
61.27485	1.2
63.34500	1.2
67.05479	2.1
68.61656	1.7
69.03423	4.8
69.07057	8.0
70.16150	4.3
79.05476	1.9
81.07076	1.9
91.05502	1.9
93.07075	1.7
95.08607	1.5
105.07041	2.2
107.08568	2.5
109.10127	3.2
120.62156	1.3
121.10147	2.5
131.04933	5.6
144.41380	1.4
145.10188	1.9
146.95288	1.4
147.04314	1.9
147.11679	1.5
149.13193	1.5
155.08549	3.5
159.04430	9.4
161.02357	14.1
163.29994	1.3
164.18234	1.4
173.09601	1.9
183.08043	2.7
187.03905	66.7
188.04619	6.2
189.05435	2.7
194.69589	1.4
199.03835	1.7
201.05420	2.5
201.09131	1.6
211.07562	8.7
215.07036	9.3
229.08618	25.3
239.07045	6.5
243.10216	4.3
252.42203	1.3
255.10219	1.7
257.08099	100.0
258.08475	4.8
275.09149	12.0
276.00000	1.4
313.14377	8.9
323.53970	1.6
325.14136	2.0
331.15405	52.8
332.15649	4.8
369.23322	1.4
399.21527	20.3
399.36630	3.2
407.10446	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.4
55.05512	2.2
57.03430	0.7
57.07059	0.8
59.04995	3.1
64.13434	0.4
65.03918	0.4
67.05502	3.6
67.65343	0.3
69.03414	0.6
69.07056	1.4
70.06592	0.6
71.08617	0.7
79.05477	1.8
81.03410	0.5
81.07063	3.2
83.04965	1.0
83.08618	1.1
84.20723	0.4
85.02905	0.5
85.06539	0.7
91.05465	1.3
92.04993	0.4
93.07027	1.6
95.04928	0.5
95.08611	2.0
97.02878	0.6
97.06509	0.7
97.10157	1.4
99.17889	0.5
101.06033	0.7
105.03402	0.7
105.07018	1.5
107.04928	0.4
107.08600	1.7
109.10158	3.7
111.04420	0.5
113.95160	0.5
119.08570	1.8
120.04466	1.4
121.06538	0.3
121.10119	1.1
123.08044	0.7
123.11713	0.4
125.09619	0.9
129.06989	0.6
130.06520	1.2
131.08568	0.8
133.06477	0.5
133.10138	0.8
135.08026	0.6
135.11684	0.9
137.09633	0.6
143.08484	0.6
145.06520	0.4
145.10124	0.9
146.05954	1.0
146.09608	0.4
147.06468	0.4
147.11708	0.8
149.09657	0.7
155.08678	0.4
157.10159	0.7
158.06003	0.8
159.11722	0.4
161.13235	0.5
163.11174	0.5
167.07275	0.8
168.08090	1.2
170.09558	0.6
171.11699	0.4
173.11790	0.5
180.08185	0.6
181.08830	0.6
182.09680	1.9
185.13251	0.7
186.09088	0.5
189.11218	0.7
194.09682	0.9
196.11115	0.4
197.13097	0.4
198.08998	0.6
208.11134	0.4
214.08614	0.5
241.08795	0.5
246.09128	0.5
248.14604	0.4
255.09193	0.5
256.09964	2.9
257.10767	1.0
261.10382	0.8
267.09091	0.6
268.09970	1.1
269.10776	1.0
271.08636	0.8
272.09378	2.8
273.10028	0.7
274.43494	0.4
282.11493	1.0
283.12378	0.5
284.09433	11.3
285.10217	100.0
286.10556	5.6
290.30267	0.4
293.10623	0.5
297.10199	2.7
298.10977	2.5
299.11783	1.2
300.08917	1.6
301.96332	0.4
302.14185	0.4
306.11450	0.7
307.12378	0.5
309.10312	1.7
309.13846	4.7
310.10840	0.9
310.14386	0.4
311.11755	5.5
313.13428	0.6
323.11841	2.7
325.13309	8.5
326.14029	2.8
327.14496	0.6
337.13370	0.7
339.14932	11.5
339.18536	0.4
340.15106	0.8
341.16501	9.6
342.16721	0.6
381.19641	13.3
382.20148	0.8
399.13184	0.7
399.15054	0.5
399.20572	8.3
399.28967	1.0
400.13922	1.5
420.11917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	4.7
53.03936	13.7
55.01865	10.8
55.05508	26.1
57.03424	10.3
57.07057	3.9
65.03934	3.2
66.14551	3.3
66.17690	3.0
67.05506	43.2
68.99773	4.0
69.03425	31.0
69.07079	25.3
70.00768	7.1
70.01176	9.6
70.06585	6.9
71.01340	4.5
71.04970	10.1
71.08630	6.4
77.03924	13.9
79.05489	38.8
81.03421	78.2
81.07059	50.9
83.04961	14.2
83.08596	5.8
84.04484	3.1
84.08131	7.5
85.02892	10.3
85.06547	4.8
86.09679	6.2
87.04488	3.6
89.03931	4.1
91.05476	52.7
93.06567	3.9
93.07049	46.9
95.04971	22.1
95.08612	39.8
97.02910	23.8
97.06518	12.6
97.10147	8.7
98.20735	4.0
99.04479	7.9
103.05447	10.1
105.03374	15.5
105.04454	3.6
105.07026	55.6
107.04969	28.5
107.08597	29.2
109.02885	42.7
109.06519	19.6
109.10153	42.2
111.04428	11.9
111.08044	7.7
115.03879	4.2
115.05444	8.3
117.07023	13.6
119.04927	7.7
119.08595	30.0
121.02880	7.3
121.06501	23.0
121.10143	23.2
123.04438	9.6
123.08091	21.5
123.11685	14.7
125.05925	3.6
125.09601	11.2
127.03915	9.4
127.66338	3.2
128.06212	7.6
129.06985	14.9
129.10252	4.1
131.04929	20.6
131.08557	24.4
132.05728	17.7
133.02853	86.6
133.06511	23.9
133.10126	21.4
134.03622	3.5
135.04425	30.0
135.08046	12.5
135.11646	9.0
136.06155	3.6
137.05966	6.5
137.09615	7.7
140.84558	3.5
141.06999	6.0
143.08578	18.2
144.05692	7.6
145.06468	16.9
145.10117	23.9
147.04436	24.5
147.06546	6.2
147.08026	26.2
147.11691	17.1
149.05986	19.6
149.09621	7.5
149.13263	6.5
151.02759	6.9
151.03912	100.0
151.05147	6.0
151.07523	13.1
151.11176	6.5
153.06943	4.3
155.08560	6.3
157.06470	11.7
157.10107	13.6
158.05977	3.3
159.04375	4.3
159.08080	21.9
159.11697	13.6
160.05191	7.4
161.05995	20.2
161.09607	21.1
161.13225	7.6
162.05502	23.9
163.07556	14.4
163.11115	3.9
165.05505	6.8
165.06982	5.1
165.09132	3.6
167.07040	10.0
167.08481	7.3
169.06378	3.7
169.10057	7.4
171.08041	24.3
171.11705	7.5
173.05943	16.2
173.09621	34.0
173.13179	3.3
175.03902	7.4
175.07512	20.0
175.11075	7.4
176.04610	4.2
177.05502	16.8
181.04915	9.7
181.06392	4.1
181.10115	6.4
182.10823	3.9
183.02864	4.2
183.08057	6.7
183.11671	5.0
185.05943	3.9
185.09589	13.5
185.13210	6.5
187.07533	13.0
187.11241	5.8
189.05466	4.8
189.09097	13.4
190.04976	10.4
191.07028	29.9
192.06271	3.8
192.07840	39.8
193.04970	5.1
193.08595	12.3
193.12291	4.4
195.06514	4.8
195.08072	5.0
195.11641	5.4
197.09564	8.3
197.13280	4.6
199.07574	16.5
199.11188	6.6
199.14828	4.7
201.09074	7.8
206.15445	6.1
207.06505	6.5
211.07524	5.7
211.11156	6.8
213.09087	34.3
213.12639	6.3
215.10683	11.0
217.08630	4.3
219.13704	3.8
225.12677	6.2
226.06288	3.4
227.10623	4.7
227.14282	5.8
237.12784	4.8
243.17424	3.8
245.07962	3.8
250.09343	4.5
251.14249	3.6
255.13818	82.1
257.12766	3.3
261.18634	5.4
263.16376	9.5
265.12189	6.9
267.13803	13.2
271.13483	4.3
271.16934	10.0
273.14850	7.5
275.13812	8.6
279.13861	6.9
289.17981	5.7
297.14847	5.7
307.13550	4.3
307.18539	3.9
313.14346	3.8
321.14822	7.6
345.14853	7.1
351.08627	4.4
363.15857	15.3
363.21555	3.8
381.16904	19.0
381.21841	5.5
399.18298	92.1
399.23810	5.6
399.28931	15.9
400.13992	12.4
400.18686	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	399.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69600	0.6
55.01886	0.5
57.61784	0.6
66.90562	0.6
67.05497	1.4
69.03438	0.7
70.06580	4.3
71.43500	1.3
72.08146	0.9
75.43081	0.6
79.05486	1.0
80.05005	0.8
81.03410	1.0
81.07044	1.3
83.04958	0.8
84.08149	0.8
85.02905	1.7
86.09711	1.3
94.06567	1.6
96.08126	1.1
97.02911	1.4
101.89822	0.6
103.05460	0.7
106.06536	0.6
109.02953	0.6
110.06023	2.3
119.04935	0.9
120.04433	1.6
122.06018	3.6
124.07639	1.0
126.05455	0.7
126.09113	0.8
131.04910	1.3
136.07526	1.6
137.04720	1.8
138.05476	4.9
139.06219	0.6
140.07001	0.7
150.05417	0.8
151.06285	1.6
152.07060	89.8
153.07465	1.9
154.08591	2.2
166.04941	0.9
166.08640	22.8
167.05736	1.1
170.09622	0.8
174.07761	1.2
175.08513	1.1
182.08127	46.8
183.08537	1.0
184.07674	1.2
184.09697	0.7
186.09184	1.1
187.12312	0.9
194.08119	99.9
195.08513	2.1
198.07550	2.1
198.09145	1.9
199.08597	0.9
200.09221	6.2
201.10176	2.2
207.06532	1.5
210.07512	1.0
212.09167	100.0
213.06560	1.0
213.09509	2.6
214.07208	0.8
215.11784	4.4
225.10204	1.5
226.08505	1.4
227.08142	2.0
228.10339	0.9
229.09779	3.4
239.08017	0.8
243.11302	8.7
253.09634	1.0
257.09189	2.8
271.10767	19.9
272.10941	0.8
273.12338	0.8
288.12280	0.7
289.11832	0.8
299.10220	5.6
317.11292	8.5
326.72467	0.6
331.12830	1.4
335.12473	3.7
363.15518	13.3
381.16431	2.7
399.17334	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01862	1.7
55.05500	2.3
58.46820	1.0
60.04515	0.8
67.05505	2.1
69.03421	3.0
69.07054	1.0
70.06593	14.9
71.04980	1.8
71.47518	1.9
72.08158	15.2
75.05585	0.9
77.26072	0.8
79.05485	2.6
80.05019	1.3
81.03410	2.4
81.07047	2.9
83.04990	1.5
83.46844	0.8
84.04484	1.2
84.08134	3.4
85.02896	4.5
86.03233	1.1
86.09704	3.5
91.05473	3.9
93.07036	1.4
94.06520	1.0
95.04945	2.2
95.08607	1.5
97.02893	4.0
105.03369	1.4
105.07023	1.9
107.04937	3.9
107.08566	1.7
109.02876	2.2
109.06530	1.7
110.02391	2.3
110.06033	2.7
110.07155	2.2
111.04463	1.1
113.06011	1.3
115.03931	1.5
119.04932	2.1
120.04462	1.0
121.45519	0.9
122.06023	3.7
124.03925	1.6
124.07603	2.4
127.03892	2.7
129.10249	1.2
131.04924	1.6
134.06013	1.4
136.06187	3.2
136.07562	1.8
138.05522	4.8
140.07072	1.1
145.04909	1.3
147.04419	1.4
150.05443	1.7
151.03862	1.9
151.06340	1.4
152.07065	100.0
154.08633	1.3
166.08621	22.3
167.05742	1.8
169.09740	2.3
174.07796	1.4
175.03926	1.3
177.05627	1.3
182.08125	44.1
186.09033	1.4
187.12302	2.3
194.08128	97.4
195.08417	2.3
198.07504	1.9
198.09174	3.1
199.08722	1.1
200.09148	7.0
200.10767	1.3
201.10272	1.9
207.06502	3.4
210.07663	1.3
212.09172	94.7
215.11772	6.1
227.08214	2.5
228.10373	1.4
229.09683	3.7
243.11253	8.2
250.09462	1.2
253.09680	1.2
257.09174	2.3
260.08588	1.3
271.10782	15.6
299.10291	5.4
306.69397	1.1
317.11444	6.5
335.12411	2.6
340.03732	1.0
363.15460	11.4
381.17038	2.8
399.08405	1.7
399.18015	1.3
399.71350	1.3
400.15820	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05049	8.2
56.96301	4.9
56.96569	75.8
61.01160	4.2
69.03445	8.5
70.06599	7.6
70.21253	11.6
71.95277	3.5
74.97644	3.7
84.04514	4.6
84.96039	6.1
85.01984	3.0
85.02907	8.9
91.05496	3.9
95.04918	3.4
97.02885	31.1
98.97580	35.6
101.06039	3.0
102.05551	9.2
105.03403	22.9
106.03738	3.4
109.02888	3.1
110.07173	4.1
110.97615	5.6
115.00694	16.6
116.07045	2.6
116.98632	29.1
119.01949	4.8
119.04987	4.9
119.08639	4.0
128.98621	6.8
130.10954	3.1
133.01744	15.7
134.99661	15.8
136.06189	36.0
143.00227	7.4
146.99696	4.7
147.04416	6.7
149.01233	6.7
158.99677	11.0
159.03310	5.0
161.01247	8.8
173.01175	4.5
173.04771	4.7
177.00687	7.5
189.00711	7.1
189.04460	4.2
193.00189	4.2
195.01666	3.3
197.01170	3.8
201.00717	3.7
201.04305	6.8
207.06676	7.4
211.06476	8.9
212.39281	3.3
219.01817	7.5
225.04362	7.8
225.08009	6.6
228.05750	13.4
229.07573	9.3
233.08377	5.7
237.06276	7.3
239.06021	5.1
242.06906	3.9
247.08667	4.2
249.02901	4.5
249.07930	4.1
250.09341	33.5
251.09554	43.4
253.07683	3.4
257.06943	3.9
259.06442	7.3
267.00470	3.4
267.09109	7.6
269.10596	100.0
277.07465	46.2
279.03949	7.9
285.10028	6.7
287.11505	6.8
292.12292	5.6
293.10596	22.7
295.08521	80.5
296.08685	4.8
298.09644	3.9
307.14783	3.1
311.11569	14.0
313.09625	66.5
318.10239	3.9
331.10696	12.6
336.11319	6.4
357.05518	3.8
381.03232	4.3
399.09427	4.3
399.18689	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62632	2.5
55.05499	3.0
56.05042	25.5
56.96566	70.8
58.06589	11.5
60.04496	3.1
60.95856	3.1
61.01134	7.1
64.42194	3.0
69.03422	16.1
69.78082	9.3
69.78487	4.5
70.06595	20.9
71.04971	3.4
72.08140	3.0
74.02438	6.6
74.06068	8.4
81.07038	4.8
84.04485	4.5
84.08139	16.2
84.96014	4.0
85.02877	11.2
86.09697	5.6
91.07185	2.7
92.79536	2.4
97.02890	87.5
98.06068	2.6
98.17968	2.4
98.97589	46.9
102.05540	34.2
105.03384	6.5
110.07153	5.4
110.97555	5.4
112.08732	2.6
115.00711	11.1
116.98628	25.4
127.03889	3.6
128.98592	7.6
133.01706	11.1
134.99638	14.0
136.06187	100.0
143.00114	5.8
145.03212	4.7
146.06006	9.6
146.99649	3.3
147.04520	3.2
152.05736	3.6
158.99631	6.9
159.03206	5.3
160.73285	2.8
161.01215	6.3
172.94345	5.4
177.00664	5.2
187.02782	3.2
190.95433	8.0
201.04291	2.8
208.96428	4.5
211.02617	4.2
211.06335	6.7
213.00665	3.4
213.04327	3.3
219.01736	9.6
221.05046	3.2
225.08095	3.2
229.07426	3.7
231.01883	4.1
233.08453	3.2
237.02870	21.1
237.08696	6.7
250.02547	3.3
250.09357	93.6
251.09505	30.5
256.96289	3.8
259.06320	5.9
264.08914	4.2
268.03696	3.3
269.10590	58.1
274.97507	22.2
277.07504	30.3
285.10031	6.8
287.11673	3.2
292.98523	13.1
293.10559	12.5
295.08505	51.2
298.09726	15.7
304.03967	5.0
311.11688	15.1
313.06894	3.1
313.09616	38.1
318.10117	4.0
322.04752	6.0
331.10608	8.1
336.11261	4.1
339.07623	3.9
399.11978	9.2
399.18198	7.0
399.23981	18.1
417.12119	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	398.976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11151	0.3
51.41306	0.3
52.71551	0.3
54.98653	0.4
56.96561	10.1
69.87994	1.5
71.95262	2.2
81.07013	0.3
83.45218	0.2
83.83251	0.2
87.37048	0.2
98.97580	74.3
116.98618	66.2
117.98913	0.4
118.98992	0.3
130.93289	1.2
132.46263	0.3
134.99652	38.3
140.00195	2.3
148.94566	0.3
153.00710	5.5
154.93321	0.4
158.01262	2.8
172.94345	3.1
174.97743	0.7
176.02281	0.4
177.00929	0.4
190.95401	5.6
192.98763	0.7
197.95157	0.7
208.96481	2.5
214.95378	1.8
232.96483	8.4
234.99725	1.3
240.98749	0.3
241.93991	0.4
250.97540	6.3
251.97894	0.4
255.98071	0.3
256.96417	13.1
257.96814	0.4
258.99838	2.9
260.00101	0.4
261.03113	0.7
262.03098	0.4
266.95590	0.3
273.99045	0.4
274.97504	100.0
275.97876	2.3
276.97849	0.5
277.00806	4.6
278.01004	0.9
279.00742	0.7
283.00037	0.9
292.98547	71.0
293.98914	1.4
294.98935	0.3
297.99103	6.2
298.97733	3.6
299.97754	0.5
301.01099	1.8
302.01273	0.4
303.00629	0.4
306.99982	0.3
310.99734	0.7
314.95502	0.3
316.00201	4.0
316.98798	7.9
317.98837	1.1
332.96750	0.3
334.99911	0.3
340.00397	0.4
350.97925	0.3
351.16751	0.3
356.98929	1.1
362.05191	0.3
374.99329	3.6
398.01111	0.3
398.97678	0.8
416.98532	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	398.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14159	0.3
53.03942	0.4
55.05510	0.4
56.05031	0.3
56.44467	0.2
59.04992	1.2
60.04528	0.3
64.80531	0.3
65.03924	1.0
66.90251	0.3
67.05505	10.8
68.05026	0.4
69.03429	0.8
69.07069	2.6
69.56182	1.2
69.56585	0.5
70.06594	100.0
71.04967	0.3
71.06922	1.4
72.08157	0.8
73.06542	0.4
79.05495	0.5
81.03433	0.9
81.07072	0.7
82.01595	0.3
83.04989	0.6
84.04507	0.6
84.08147	2.5
85.02908	2.3
86.09709	0.6
87.00848	0.6
89.29784	0.3
93.07038	0.4
94.06573	3.3
95.04969	12.3
95.08596	0.5
96.08114	0.3
97.02887	0.8
99.04467	0.5
101.06013	2.3
105.01875	0.6
105.07031	0.3
107.04985	0.4
109.02909	0.5
112.07603	15.3
113.06038	1.4
113.07954	0.5
113.09639	0.4
115.07573	2.9
119.04885	0.4
127.03941	1.6
130.06563	0.3
130.08627	2.0
132.04453	0.3
132.08098	0.4
133.08617	2.9
136.07591	0.6
138.00600	0.3
145.04962	0.5
146.05977	0.5
147.04463	0.7
160.09756	0.6
164.07059	0.3
172.11319	0.3
174.07651	0.8
200.10770	0.4
207.06625	0.9
218.11784	0.6
236.09181	0.7
236.12885	0.8
354.22742	19.7
355.23001	1.2
368.41110	0.3
398.21765	14.2
399.16208	0.4
399.22156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01857	2.3
57.03436	10.9
59.05009	3.1
60.04517	1.1
60.16582	1.1
60.45315	1.1
61.02927	2.7
67.05509	7.6
69.03432	35.1
69.07065	10.3
70.06596	100.0
70.57910	3.4
71.05000	2.3
72.08138	3.6
73.02910	3.2
79.05494	2.6
81.03429	6.9
81.07048	4.4
83.04979	3.1
84.04506	3.3
84.08137	4.4
85.02911	42.5
85.06546	1.8
86.09718	3.4
87.04470	22.5
91.03954	1.5
91.05456	3.8
93.07027	3.2
94.06534	1.9
95.04973	7.5
95.06073	1.8
95.08613	2.4
97.02898	25.1
97.03510	1.6
97.06573	1.9
98.09689	15.2
99.04459	2.7
101.06010	2.6
104.03481	1.7
105.01874	1.5
105.07041	2.6
107.04954	7.5
107.08654	1.8
107.40469	1.2
109.02884	5.1
109.06488	2.0
111.08066	6.1
112.07624	6.4
113.05994	1.8
114.05551	1.8
115.03931	36.0
115.07566	4.3
116.07101	1.8
118.56318	1.3
119.08586	3.2
119.79846	1.2
120.08089	2.4
121.02879	1.8
122.96474	1.3
123.04434	1.7
123.08034	1.5
124.07607	1.6
127.03922	16.8
129.05423	1.3
129.10175	2.2
130.08681	1.9
131.04941	2.8
133.04965	40.8
133.08603	2.5
136.07620	1.4
137.09586	1.3
145.04948	18.7
147.04460	1.7
147.08034	1.9
150.07664	1.9
152.07082	2.8
153.09114	2.0
158.11766	30.8
163.06059	6.3
165.09117	2.0
174.07622	3.7
183.10176	1.9
188.07141	1.1
194.08131	1.9
201.11238	3.6
207.06538	2.0
212.09117	1.3
236.09239	2.6
241.07114	1.4
259.08182	3.6
274.77008	1.2
277.09195	3.0
292.56839	1.2
295.10052	1.6
354.22769	10.8
358.78223	1.2
385.54190	1.3
398.17203	1.8
398.21240	11.2
398.25653	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	398.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.01864	1.8
55.05499	1.0
56.05034	0.7
57.02441	0.6
57.03447	1.8
58.28725	0.6
59.05005	0.8
60.04539	1.5
61.02925	1.4
63.90949	0.6
67.05507	6.1
69.03418	5.8
69.07069	2.6
70.06594	100.0
71.05005	2.1
71.06930	1.3
71.52881	0.9
72.08155	3.6
73.02906	1.3
74.06053	1.1
79.05513	1.8
81.03418	6.1
81.07062	2.1
83.04971	0.8
84.04511	1.6
84.08154	6.6
85.02906	14.7
85.06564	0.7
86.09706	3.4
87.00829	4.0
87.04475	1.0
91.05529	1.5
93.07034	1.6
94.06593	2.3
95.04969	8.7
95.06084	1.9
95.08607	1.5
97.02895	7.1
97.06500	0.8
98.09704	2.1
99.04473	2.7
100.07630	2.4
103.05499	1.0
104.03484	1.4
104.05034	2.0
105.01875	5.3
105.03403	1.2
105.07095	1.0
106.06585	1.8
107.04931	4.2
107.08556	0.8
109.02877	6.0
109.06510	0.9
110.07158	2.0
112.07602	11.1
113.06046	1.2
115.03948	1.6
115.07591	1.9
116.07109	1.9
118.06573	1.8
120.08121	2.7
121.02908	0.7
124.07619	1.3
126.49500	0.6
127.03915	9.9
127.76036	0.6
129.10289	2.2
130.08630	6.6
131.04962	1.8
132.04449	57.2
133.04910	1.2
133.08626	0.8
134.06038	2.3
135.04456	0.8
136.06198	1.6
136.07614	1.0
145.04994	4.0
146.06049	1.0
147.04424	0.9
150.05502	6.4
152.07109	2.6
153.30794	0.8
158.11725	4.4
160.09731	3.1
162.07773	3.6
169.12399	0.8
174.05547	1.1
174.07625	5.8
175.03958	0.7
177.00671	0.8
177.05498	0.8
184.07402	1.9
188.05711	3.0
189.07314	0.8
192.06642	1.9
194.08121	0.8
206.06776	2.6
207.06619	1.3
213.03989	1.4
213.12413	1.6
214.12581	1.0
218.08205	1.6
231.05084	1.1
234.07774	1.1
236.09187	1.2
236.12947	1.6
249.05772	0.8
256.75653	0.6
266.08841	10.6
344.35345	0.7
354.22775	10.2
398.13388	2.8
398.17505	1.2
398.21771	13.7
398.26224	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3102
Annotation	beta-Micropteroxanthin
Peak:m/z	Relative Intensity
50.92138	0.5
55.01868	0.8
55.05513	2.4
57.07066	0.7
57.28719	0.4
59.04981	1.0
67.05509	4.0
67.36039	0.4
69.03422	1.8
69.07072	2.9
70.12954	2.0
71.04984	0.4
79.05505	3.1
81.07054	8.3
83.04975	0.8
83.08619	1.5
85.06532	0.8
87.35825	0.5
91.05492	3.8
92.13713	0.5
93.06490	0.7
93.07046	8.7
94.36122	0.6
95.04972	1.6
95.08614	11.7
97.06534	1.1
97.10193	0.7
98.21470	0.5
100.15013	0.5
103.05507	0.5
105.07037	10.0
107.08601	11.2
108.09007	0.6
109.06538	3.6
109.10167	8.8
109.59216	0.4
111.08074	1.6
117.07026	2.6
119.08584	16.0
121.06516	2.7
121.10146	10.1
123.08038	1.3
123.11715	3.4
125.09636	2.1
127.11198	0.6
129.07001	1.3
130.07770	0.5
131.08551	5.1
133.10133	12.7
135.08047	2.2
135.11700	7.9
137.13303	0.9
142.42273	0.4
143.08545	1.4
144.09361	2.8
145.10147	5.3
147.11676	8.2
148.12029	0.6
149.09636	1.4
149.13286	4.3
151.11180	2.1
155.08519	0.6
157.10130	3.4
159.11705	17.0
161.09665	0.9
161.13254	4.4
163.11189	1.1
163.14815	1.6
165.12683	1.0
169.10085	0.6
171.11703	1.7
173.13286	3.6
175.11182	2.3
175.14865	2.3
177.12761	15.1
178.13249	0.5
179.14259	0.7
181.10255	0.5
183.11667	0.8
185.13287	1.3
187.14850	4.0
189.12820	1.3
189.16389	2.7
191.14296	2.9
197.13344	0.8
199.14784	1.7
201.12749	1.2
201.16429	2.5
203.14322	0.9
203.17996	1.4
207.17252	0.7
211.14966	0.5
213.16447	1.0
215.17982	1.0
217.15936	1.3
217.19499	0.5
227.17928	0.9
229.15897	1.0
241.19553	0.8
243.17409	0.5
245.19011	0.8
253.19551	0.6
259.20758	0.5
269.19095	0.6
269.22757	0.9
271.20563	0.7
285.22220	0.7
293.22665	0.8
295.20682	0.6
299.23526	0.6
300.84116	0.5
309.22244	0.8
311.23746	1.0
319.24615	0.5
353.28375	0.6
355.29752	0.6
361.28903	1.4
379.29956	8.4
380.30499	0.6
397.31027	100.0
398.31372	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	397.2736
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
53.03942	1.4
55.01874	1.0
55.05514	1.6
57.07061	0.7
59.04998	0.3
65.03943	1.2
66.04710	0.5
67.05507	8.1
69.03422	0.5
69.07064	2.1
69.40280	2.5
71.04984	0.9
79.05491	21.7
80.05838	0.6
81.03429	0.4
81.07054	100.0
82.07384	1.3
83.04979	1.2
83.08621	1.1
84.48049	0.3
85.06548	1.6
91.05473	7.9
91.06017	0.5
93.07043	7.7
93.07638	0.4
95.04971	1.6
95.08604	8.6
97.06530	1.2
97.10168	0.4
99.08106	1.0
105.07031	9.4
107.04952	0.3
107.08597	11.1
109.06514	45.2
109.10155	5.7
109.10840	0.5
110.06853	0.5
111.08084	1.2
115.05433	0.6
116.06193	0.4
117.07011	3.3
119.08576	11.0
121.06503	1.1
121.10139	5.2
123.08067	4.0
123.11701	3.4
125.09647	1.1
127.11181	0.3
128.06253	0.4
129.07019	1.5
130.07785	0.4
131.08560	5.3
133.06444	0.7
133.10121	8.9
133.11098	0.5
135.08047	9.9
135.11685	3.8
137.09604	1.9
139.11192	0.5
141.06990	1.0
142.07735	0.5
143.08556	3.0
144.09325	0.4
145.10117	7.8
147.08066	1.6
147.11690	4.9
149.09621	3.8
149.13269	1.2
151.07552	0.8
151.11200	1.9
154.07776	0.4
155.07114	0.5
155.08580	1.1
156.09325	0.7
157.10120	5.0
158.10973	0.6
159.08095	0.4
159.11687	8.9
161.09621	2.2
161.13226	3.6
163.11174	2.1
163.14816	0.9
165.12753	1.0
165.93556	0.2
167.08586	0.4
168.09322	0.5
169.10120	1.3
170.10912	0.8
171.11684	3.6
173.09618	1.1
173.13260	5.0
175.11166	1.8
175.14836	1.4
177.12735	1.9
177.16391	0.4
179.09215	0.5
179.10623	2.2
181.10236	0.9
182.10831	0.4
183.11699	2.6
184.12518	0.4
185.13286	3.5
186.13881	0.3
187.11197	0.9
187.14832	5.6
189.12737	2.2
189.16302	1.4
191.10686	0.4
191.14330	1.6
193.10460	0.3
193.12190	1.3
195.11673	0.8
197.13300	2.0
198.13976	0.3
199.11220	0.6
199.14809	2.7
200.15384	0.3
201.12772	2.1
201.16386	1.9
203.14314	4.2
203.17995	0.6
205.15797	2.2
207.11778	0.4
209.13310	0.7
211.14827	1.1
213.16385	3.4
214.16982	0.3
215.14310	2.5
215.17818	0.5
217.15913	1.0
219.11693	0.3
219.13979	0.3
219.17467	1.0
221.13361	0.4
223.14882	1.1
225.16405	1.1
227.14417	1.6
227.17943	2.2
228.18523	0.3
229.15894	0.9
229.19514	2.9
231.17410	2.9
235.14772	0.3
237.16325	0.7
239.17924	0.8
241.15843	0.8
241.19579	0.4
243.17482	1.1
243.21136	1.0
245.18982	3.8
246.19238	0.3
247.20728	0.7
251.17761	0.6
253.15955	0.4
253.19518	1.0
255.17393	0.5
257.19016	0.5
259.17148	0.5
259.20596	1.8
265.19559	0.4
267.17548	0.4
269.18982	0.7
271.20523	6.4
273.18411	0.3
275.18152	0.3
281.18958	0.4
287.20157	0.7
289.21625	12.0
290.21848	0.4
291.21021	0.3
293.19199	0.6
293.22406	0.4
295.21115	0.3
295.24347	0.9
297.22134	0.4
309.22205	1.0
311.23645	1.0
317.22726	0.4
321.22263	0.4
321.42496	0.3
327.23312	0.5
335.23611	1.5
337.25186	2.2
339.23328	0.4
351.26886	0.8
353.24628	2.2
355.26300	0.9
361.25220	1.3
367.26364	1.0
369.27707	0.3
379.26346	9.1
380.26849	0.5
391.29395	0.3
397.27350	75.8
398.27631	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	397.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
57.03437	3.2
58.24039	0.8
60.48970	0.8
62.85930	0.8
65.47139	0.7
67.05500	3.9
69.03411	4.7
69.07067	1.9
70.06595	5.8
71.44882	1.5
79.05486	4.2
80.05000	6.9
81.03418	4.5
81.07043	5.3
83.04990	1.7
84.08152	0.9
85.02900	3.3
85.06545	0.9
86.09713	1.9
87.00818	1.9
91.05471	7.9
93.07050	8.2
95.04964	1.6
95.08609	5.2
96.66936	0.7
97.02885	1.6
97.06528	2.7
98.06066	3.6
103.05443	1.0
105.07032	4.7
107.04966	1.8
107.08593	12.1
108.08130	6.8
109.02888	4.4
109.06548	1.6
109.10143	4.9
110.09675	15.0
111.04445	1.1
111.08110	1.0
112.28117	0.7
114.05534	1.3
115.03972	1.1
115.05436	1.9
117.07017	3.7
118.06541	34.9
119.08607	7.1
121.06532	1.9
121.10123	7.3
122.09650	0.9
123.08023	1.5
123.11676	1.9
127.03947	1.8
128.06209	0.9
129.06972	1.2
130.06534	7.9
131.04883	0.9
131.08586	2.5
132.08040	0.8
133.02856	1.9
133.10144	3.0
135.04449	1.4
135.07932	1.0
135.11726	2.1
137.06010	1.7
137.08369	6.6
137.09500	1.6
138.05490	14.3
139.06306	3.5
141.06921	0.8
141.28033	0.8
142.06509	2.5
143.07298	3.1
143.08551	2.4
144.04449	1.3
144.08080	19.8
145.06470	1.5
145.10104	1.5
146.06004	83.0
147.06363	1.4
147.08086	1.5
147.11670	2.3
148.11177	1.2
149.09560	1.1
149.13252	1.9
151.03798	0.9
151.07526	1.2
157.10184	1.4
157.16209	0.7
159.08034	1.3
159.11674	2.0
160.07562	1.2
161.13306	2.0
166.12280	64.9
167.12596	0.9
170.06006	6.6
173.13316	1.4
174.05513	1.2
177.12788	1.0
179.14238	1.1
184.11142	4.1
188.07063	53.4
189.12708	1.3
192.13826	1.1
201.12569	0.9
210.14893	100.0
211.15211	1.8
224.12810	2.8
229.15906	0.9
236.16483	2.1
250.14360	5.3
253.12323	1.6
257.15439	1.8
268.15427	14.9
271.13284	1.0
275.16431	2.6
353.18613	5.3
361.16635	1.0
379.17596	1.7
397.21240	85.6
398.21509	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01871	6.3
55.05516	7.7
57.03429	5.8
61.02922	2.5
63.47283	1.4
65.03934	3.2
67.05507	11.7
68.99787	4.9
69.03432	29.8
69.07066	5.9
69.22093	1.4
70.06533	3.8
70.06850	6.6
71.04993	2.7
79.05492	17.1
79.70039	1.3
80.05016	6.1
81.03426	19.6
81.07059	15.0
83.04979	7.2
83.08616	1.7
85.02905	20.6
85.06554	2.5
87.00825	9.7
87.04472	1.8
91.05474	18.1
93.07050	35.2
95.04984	10.9
95.08614	23.1
97.02892	16.1
97.06526	7.0
99.04446	4.8
103.03915	2.7
105.01855	3.7
105.07033	30.4
107.04934	4.7
107.08594	100.0
108.08125	3.7
109.02875	11.3
109.06525	10.6
109.10157	17.5
110.09692	12.0
111.04439	9.8
111.08046	1.8
113.02358	1.9
115.03949	5.4
117.07026	6.3
118.06560	22.5
119.08591	35.2
121.06505	6.3
121.10146	52.2
123.04435	3.1
123.08075	6.6
123.11703	5.3
123.77270	1.7
125.05996	3.5
127.03893	8.6
128.06210	2.8
128.66080	1.6
129.01837	3.1
129.07019	2.9
129.15936	1.7
130.06517	6.3
131.08560	12.4
133.02885	2.1
133.06493	3.3
133.10123	18.5
135.04373	3.8
135.08075	4.7
135.11685	17.4
137.05952	4.5
137.08340	4.7
137.09630	4.7
138.05524	7.7
139.06299	1.9
141.07031	2.5
142.06563	2.0
143.07423	1.7
143.08582	5.2
144.08119	10.2
144.09196	2.2
145.05023	1.7
145.06393	2.9
145.10144	10.0
146.06021	52.2
147.08083	4.6
147.11681	17.3
149.05981	7.0
149.09660	2.4
149.13266	20.1
151.03966	1.9
151.07558	2.5
151.14912	2.3
153.05368	1.5
155.08572	3.4
156.09258	2.5
157.10107	5.8
159.02852	2.9
159.08122	3.5
159.11693	12.4
161.09636	3.7
161.13263	24.1
163.11218	1.9
163.14838	2.6
165.12808	2.6
166.10875	2.1
166.12286	40.9
167.07071	3.0
167.08466	1.6
167.26117	1.5
170.06030	5.2
171.11653	4.7
173.09592	3.3
173.13309	8.0
175.11200	2.5
175.14868	3.7
177.12691	10.3
179.14346	20.5
183.08041	2.2
183.11655	3.2
184.11282	3.0
185.13243	4.0
187.11177	4.0
187.14870	2.3
188.05504	2.6
188.07065	30.9
189.12750	7.1
191.14328	3.2
193.12210	1.7
197.13284	2.6
199.11244	2.1
201.16408	3.3
203.14250	2.0
207.13841	4.7
210.14900	63.3
211.14844	1.8
215.14326	3.0
217.12328	1.9
219.13614	1.6
229.15839	3.8
233.15320	4.6
239.14317	3.8
245.13126	2.0
245.15428	3.8
250.14433	1.9
253.12358	2.5
257.15414	22.6
268.15430	10.3
275.16428	35.3
293.17484	5.9
343.15234	2.8
353.18570	3.2
361.16422	8.7
379.17538	21.1
397.21738	53.1
398.12524	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	397.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63970	2.1
53.03944	5.2
55.01868	8.6
55.05511	11.2
55.96797	2.5
57.03431	7.4
67.05508	18.6
68.99782	4.9
69.03429	34.3
69.07061	9.6
70.06587	4.4
71.04995	5.1
73.02914	2.6
75.80428	2.5
79.05492	16.3
80.65132	2.3
81.03419	21.7
81.07057	24.8
83.04977	8.1
83.08620	2.6
84.08134	3.5
85.02913	22.1
87.00851	15.6
87.04460	3.1
91.05487	20.5
93.07043	44.1
95.04967	14.7
95.08611	30.6
97.02872	16.2
97.06538	5.3
99.04473	4.8
99.08103	3.3
103.03962	3.2
105.01878	5.8
105.07035	32.8
107.04960	6.0
107.07874	5.4
107.08591	100.0
109.02882	11.3
109.06525	12.0
109.10136	23.2
111.04436	10.9
111.08086	4.2
115.03934	6.7
117.06990	5.9
119.07751	1.7
119.08570	43.0
119.09371	4.2
121.06499	9.7
121.10135	58.0
123.04412	4.2
123.08127	3.7
123.11708	8.1
125.06008	4.5
127.03931	6.9
127.07542	2.9
129.01797	2.4
131.08562	13.4
133.06506	3.3
133.10141	14.6
135.04436	3.7
135.08104	6.0
135.11700	11.1
137.05984	6.3
137.09624	2.8
139.07498	2.5
142.07825	3.2
143.08578	7.0
144.09331	2.9
145.06422	4.4
145.10133	11.6
147.08028	4.8
147.11687	16.1
149.05936	5.7
149.09596	4.4
149.13252	20.3
151.07530	2.6
153.05420	2.5
155.08578	3.4
157.10141	6.2
159.02846	2.9
159.08043	4.0
159.11665	14.0
159.14952	3.0
161.09633	5.8
161.13251	30.1
163.07590	3.3
163.11195	4.3
163.14857	3.4
165.49081	2.4
167.07106	4.1
169.10100	5.0
171.11720	6.3
173.09598	3.5
173.13211	5.6
175.14761	3.0
177.12723	8.2
179.14267	21.9
182.10825	3.0
185.13318	3.8
187.11285	4.1
187.14755	3.7
189.03984	3.6
189.12753	10.0
191.14319	4.2
197.09674	4.2
197.13290	3.1
199.11188	5.7
199.14969	2.7
201.04007	3.5
201.09082	2.8
203.14453	3.8
215.14357	6.0
229.15909	8.1
233.15479	4.1
239.14297	5.0
245.15370	2.9
253.12372	3.2
257.06610	3.1
257.15369	33.3
275.16388	34.4
284.92648	2.8
293.17508	6.0
343.15448	3.0
348.13394	2.5
361.16446	12.9
362.20352	2.8
379.17532	18.9
397.18658	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	397.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08752	2.2
50.87930	2.6
53.03938	5.0
55.01859	7.9
55.05503	3.9
60.63450	2.4
65.03920	7.5
67.05188	2.9
67.05506	39.2
69.03410	9.6
69.07042	5.2
69.78311	12.1
71.04958	6.2
79.05490	29.4
81.03416	39.9
81.07052	20.7
83.04965	8.2
85.02891	2.8
85.06532	2.3
91.05476	30.1
93.07040	22.1
95.01328	99.2
95.04967	100.0
95.08576	7.4
97.02840	3.1
97.06513	2.5
103.05470	5.8
105.06403	3.6
105.07033	47.0
106.07317	3.0
107.04951	13.8
107.08556	9.5
109.06543	13.5
109.10112	7.7
115.05417	8.2
117.07038	15.1
119.04907	5.1
119.08582	25.6
121.06490	15.7
121.10175	2.8
123.04379	3.2
123.08073	5.3
128.06184	14.5
129.06993	19.8
131.04890	7.8
131.08568	33.0
133.06488	17.8
133.10107	10.9
135.04382	4.5
135.08052	3.6
137.09549	2.2
141.06978	11.5
142.07744	9.7
143.08540	36.3
145.02875	5.4
145.06476	19.8
145.10112	27.8
147.04343	5.6
147.08003	15.1
147.11716	3.9
149.05937	5.7
152.06223	2.2
153.06973	5.3
154.07732	6.6
155.08551	22.8
156.09277	6.8
157.06520	11.2
157.10155	16.5
158.62784	2.2
159.04398	3.5
159.08052	14.1
159.11676	8.0
161.05983	39.4
161.09564	5.0
163.07526	5.7
165.05765	2.9
165.06950	15.6
166.07726	9.5
167.08574	20.7
168.09299	5.1
169.06464	8.7
169.10120	24.2
170.10651	2.8
171.06671	3.2
171.08046	38.1
171.11729	13.0
172.12068	4.2
173.05951	4.6
173.09599	9.6
175.07506	9.0
177.05359	4.1
177.09102	4.9
178.07747	9.5
179.08548	15.9
180.09300	8.5
181.06479	6.9
181.10106	23.0
183.08014	9.4
183.11717	11.5
185.05936	3.9
185.09668	12.0
185.13168	3.4
187.07469	6.3
187.11104	6.6
189.05397	9.7
189.09137	4.2
189.12686	4.8
190.07770	3.0
191.03375	4.9
191.08540	9.0
191.10530	4.5
192.09250	7.2
193.06487	4.5
193.10158	19.4
194.07341	4.1
195.08005	16.8
195.11728	22.1
196.08690	2.3
197.05927	5.4
197.09598	17.4
197.13181	7.7
199.07487	5.8
199.11145	9.0
201.05423	2.5
201.09125	5.7
201.12608	2.8
202.07732	5.6
203.06891	5.7
203.08546	7.9
203.10445	2.2
204.09317	6.5
205.04880	10.9
205.06650	3.6
205.10194	15.6
206.10889	9.7
207.08020	7.8
207.11719	11.3
208.08803	5.4
208.12375	3.3
209.09570	26.6
209.13185	9.6
210.10101	4.0
211.07477	8.3
211.11163	11.6
213.09038	6.7
215.06902	7.1
215.08684	4.1
215.10539	3.5
216.09343	7.0
217.05063	3.5
217.10260	11.2
218.07274	2.5
218.10800	5.5
219.08008	7.4
219.11696	16.0
220.08786	4.4
220.12425	3.5
221.09650	20.2
221.13197	10.4
222.10210	6.1
223.07552	4.7
223.11174	15.2
223.14662	3.9
225.09039	9.7
225.12683	5.7
227.06898	4.3
227.10625	10.4
227.14299	3.4
229.10216	4.0
229.12132	4.0
230.10977	5.3
231.11646	8.1
232.08746	7.2
232.12427	5.5
233.09695	13.8
233.13196	7.1
234.10236	7.8
235.07454	7.2
235.11217	17.4
235.14862	4.0
236.11810	8.5
237.09200	13.3
237.12788	12.4
239.06885	3.0
239.10652	6.8
239.14224	7.5
241.08524	4.7
241.12172	6.4
242.10915	2.6
243.08034	3.4
244.12553	2.5
245.09740	5.0
245.13193	6.4
246.10323	5.6
246.14091	4.0
247.07292	3.4
247.11218	14.4
247.14859	5.7
248.11787	4.4
249.09027	5.6
249.12796	17.9
251.10799	12.6
251.14073	4.7
253.08505	4.7
253.12169	3.3
255.10094	8.2
255.13921	4.5
258.10376	5.1
259.11264	5.4
259.14722	4.9
260.11945	4.6
261.09125	5.1
261.12689	11.4
261.16479	2.4
262.13437	4.8
263.10587	5.1
263.14328	12.6
264.14987	3.2
265.09186	3.2
265.12158	11.4
265.15674	4.4
267.10040	4.7
267.13565	7.2
272.11868	6.3
273.12805	13.9
274.09824	2.5
274.13278	2.8
275.10550	4.1
275.14194	10.8
276.11301	3.9
277.08563	3.8
277.12112	9.3
277.15469	4.2
278.09436	3.5
278.12753	3.7
279.10345	3.8
279.13568	3.1
283.13287	2.5
287.10672	4.0
287.14163	10.3
289.15744	6.7
291.10291	5.1
291.13693	18.6
293.11569	6.7
293.15240	9.9
295.13226	5.9
299.14102	3.1
300.11401	2.9
301.12021	7.4
304.10791	3.2
305.11893	3.3
305.15286	16.2
307.13196	6.1
307.16803	11.1
309.14703	6.6
311.12598	3.4
315.13806	16.9
317.12003	2.7
317.15320	11.8
319.13284	15.3
321.14624	3.6
322.15512	5.7
323.16220	9.5
333.11185	4.4
333.14740	41.7
335.12866	2.7
335.16315	27.6
335.19608	3.4
337.14349	32.7
343.13196	9.0
351.15787	35.1
353.13647	3.8
353.17426	37.2
360.85895	2.6
361.14133	48.0
361.17688	3.2
362.14389	2.4
379.15115	48.1
397.16293	85.4
397.26688	4.2
398.16821	3.9
401.83636	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.01865	7.6
55.05496	7.0
59.47113	2.6
65.03927	7.1
67.05502	33.4
69.03429	9.0
69.07062	5.7
69.58857	18.4
70.18230	2.6
71.04942	3.1
73.52509	2.7
79.05489	16.5
81.03420	41.2
81.07047	18.7
83.04952	3.7
85.02891	3.6
91.05490	19.9
93.07044	17.0
95.01328	49.2
95.04967	100.0
95.08611	10.6
105.07033	23.4
107.04948	7.4
107.08601	9.2
109.06508	6.0
109.10168	7.8
111.04399	4.3
115.05445	6.4
117.07027	10.1
119.08557	16.6
120.04493	4.2
121.02863	5.0
121.06511	10.8
121.10179	5.6
128.06232	15.3
129.07011	21.5
130.05139	2.6
130.07748	4.8
131.04976	5.2
131.08571	19.3
133.06505	10.8
133.10135	11.8
135.11633	3.8
141.06961	7.7
142.07767	7.6
143.08560	29.7
145.02908	3.1
145.06499	20.4
145.10158	14.6
147.08014	7.6
147.11699	6.1
152.06238	3.5
153.06953	6.0
154.07784	6.0
155.08528	18.6
156.09335	4.4
157.06514	7.6
157.10094	21.0
157.11084	2.3
158.06017	3.2
159.08087	9.1
159.11720	6.2
161.05981	17.4
161.09624	5.4
165.07056	10.1
166.07777	10.9
167.08591	14.6
168.09326	3.8
169.06462	5.0
169.10150	23.1
171.08041	21.1
171.11668	9.2
173.09654	6.1
175.07507	4.3
178.07724	6.4
179.08559	18.9
180.09384	7.4
181.06429	6.2
181.10124	24.6
182.07256	3.0
182.10886	6.2
183.08081	10.6
183.11711	10.2
185.09596	8.5
185.13229	6.3
187.03824	4.5
187.07629	6.7
187.11137	4.6
189.05476	12.6
190.07785	6.7
191.03392	3.5
191.08560	8.4
192.09344	9.2
193.10127	18.6
194.10745	3.1
195.08115	14.7
195.11746	18.8
196.12521	3.3
197.06065	4.0
197.09550	16.0
197.13245	6.0
198.09055	6.2
199.07516	3.4
199.11147	8.3
201.09178	4.6
202.07759	3.8
203.06950	4.6
203.08589	7.0
204.09395	6.7
205.06546	3.6
205.10184	15.5
206.10873	8.3
207.08107	7.3
207.11720	12.7
208.08868	6.8
209.09601	23.9
209.13280	8.7
210.10179	3.0
211.07542	6.7
211.11169	6.4
213.09134	9.9
213.12680	5.1
215.06912	4.3
215.08707	4.6
215.10580	3.5
216.09317	6.7
217.10129	11.7
217.12129	3.3
218.10883	5.7
219.08101	12.3
219.11729	14.8
220.08766	4.6
220.12390	4.2
221.09612	18.3
221.13213	11.6
222.10333	3.0
223.11197	17.7
225.09036	8.0
225.12735	7.0
227.10623	4.7
229.10262	6.7
229.12289	3.5
229.19902	2.7
230.10909	11.0
231.07910	3.4
231.11678	10.3
232.08783	6.4
232.12474	5.3
233.09673	14.8
233.13292	8.1
234.10242	8.0
235.07599	4.7
235.11105	13.4
235.14859	6.6
236.11812	4.6
237.09177	14.2
237.12680	13.2
239.10738	9.9
241.08286	4.6
241.12279	4.3
243.11682	4.0
244.12436	3.6
245.09598	7.8
245.13216	9.7
246.10461	5.7
247.11128	16.2
247.14903	5.1
248.12061	4.2
249.08972	4.7
249.12785	23.1
251.10698	9.0
251.14297	6.0
253.12247	3.4
254.10773	3.3
255.10202	8.8
255.13902	5.5
258.10364	4.6
259.11185	10.3
259.14957	4.8
260.11832	4.0
261.12698	8.7
263.10632	6.5
263.14362	13.5
265.12177	11.6
265.15756	6.5
267.13721	3.9
272.11902	4.4
273.12973	13.9
275.10928	4.4
275.14328	12.9
277.08948	4.0
277.12213	13.9
279.13696	3.0
281.11606	2.8
283.09738	3.0
283.13306	3.9
287.10757	3.7
287.14291	7.1
289.15717	4.5
290.12845	3.7
291.10474	5.3
291.13776	15.7
293.11942	4.9
293.15411	10.3
295.13245	8.2
301.11755	3.3
305.11917	4.7
305.15161	12.9
307.13550	4.7
307.16931	9.7
309.14844	14.7
315.13730	13.2
317.15298	4.9
319.13242	15.2
321.14795	3.4
322.15546	4.2
323.16229	9.8
333.14709	26.6
335.12720	3.5
335.16327	17.0
337.14313	56.9
338.14740	4.4
343.13467	4.1
347.09814	4.8
351.15857	25.4
353.17444	31.2
361.14288	33.5
379.15207	35.4
380.15823	3.4
397.16122	69.0
397.30972	8.8
398.16537	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	397.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96305	1.7
56.96563	26.0
70.06568	1.6
70.24218	2.1
70.24581	5.1
84.08147	2.7
84.96024	1.9
85.02889	1.6
91.78954	1.6
97.02905	1.3
98.97575	64.8
100.99095	2.0
110.07133	6.3
110.97568	11.7
112.34889	1.3
112.99129	81.2
116.98618	25.1
119.00174	1.4
127.00674	7.1
128.98611	11.3
131.00168	100.0
133.01758	1.5
134.99640	4.5
139.54688	1.4
140.00232	1.5
143.00133	3.5
145.01726	20.0
146.99655	4.1
149.01224	42.2
154.01756	3.5
158.99649	15.0
161.01190	5.3
163.02763	13.0
167.02315	2.9
170.99620	5.6
172.02779	1.5
173.01218	31.6
175.02788	8.0
177.00731	12.5
181.03862	1.8
187.02795	19.4
189.00677	4.1
190.95074	1.3
191.02261	27.1
193.03848	23.7
201.00725	5.1
205.03827	18.4
209.01164	1.8
211.04880	23.7
215.50841	1.4
217.03792	2.8
219.01761	33.4
233.03331	6.2
235.04878	8.0
237.02808	50.6
237.05180	3.2
242.55632	1.4
247.04883	4.2
248.56876	1.7
255.03819	3.5
263.04382	3.3
275.04349	6.9
276.89532	1.4
277.05881	2.5
281.05478	9.5
293.05331	8.3
337.08051	92.3
338.08350	3.6
355.09076	80.1
356.09464	2.2
378.10406	4.1
397.10117	16.6
422.80225	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96306	1.4
56.96566	21.8
60.78442	1.2
69.03422	2.6
70.06594	9.8
71.20594	1.9
71.20953	2.0
72.08143	1.1
75.64079	1.3
77.35681	1.0
81.03389	1.8
82.62073	1.3
84.08121	3.8
84.96017	2.6
85.02901	3.8
97.02894	2.4
97.06544	1.4
98.97579	61.6
100.99170	2.8
109.02888	1.6
110.07154	3.8
110.97558	9.2
112.99130	58.8
116.07069	3.0
116.98616	25.4
119.00139	2.1
119.01901	2.9
123.18352	1.6
126.97059	1.3
127.00682	5.7
127.03881	1.3
128.98621	9.1
130.08629	1.9
131.00166	75.7
134.99657	8.0
143.00171	5.1
144.10254	6.6
145.01735	15.3
145.03453	2.7
146.99643	4.7
147.04309	1.7
149.01218	39.9
154.01775	2.5
157.01787	1.3
157.03493	1.8
157.09720	1.7
158.99655	12.3
161.01250	6.6
163.02792	15.6
163.04135	2.2
163.53592	1.3
167.02238	3.7
169.01651	1.3
170.99612	4.2
172.02805	2.8
173.01219	21.3
173.02678	2.3
175.02731	4.5
177.00700	12.9
179.02220	1.4
185.01280	1.3
187.02797	13.8
189.00746	3.6
191.02246	18.1
193.03848	23.7
201.00629	1.8
203.02295	4.4
205.03825	17.6
209.03241	1.9
211.04881	18.7
213.12199	2.0
214.03792	1.4
216.05498	1.4
217.03812	4.1
217.05855	1.2
219.01735	24.1
221.05087	1.5
229.05782	1.4
233.03334	7.2
235.04672	5.7
235.11443	2.2
237.02811	37.1
245.03349	1.5
247.04648	2.1
247.06897	2.2
249.06206	1.6
251.04478	1.4
253.03503	1.3
255.03862	3.5
263.04324	4.1
275.04428	5.0
277.05780	4.0
279.04028	2.2
281.05487	9.4
281.08130	1.8
293.05331	5.8
300.14801	1.3
323.06293	1.5
337.07947	100.0
338.08255	1.5
355.09088	83.6
356.09375	2.6
378.10629	4.3
397.10233	21.9
397.20544	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	396.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.5
58.59320	3.7
67.05502	14.0
69.03433	6.7
69.07072	9.7
69.38625	6.6
69.39025	30.7
70.06602	7.5
73.30903	4.8
79.05504	13.5
81.03440	5.6
81.07057	18.1
91.05485	12.0
93.07050	11.2
95.04976	5.3
95.08603	8.0
98.46918	4.9
99.04487	4.9
105.03381	5.3
105.07037	12.7
107.08611	7.4
109.10166	14.4
109.43771	3.9
119.08600	11.8
121.10139	9.4
128.06293	5.2
132.04460	4.2
133.10144	12.3
143.08598	5.0
145.10147	10.1
154.36021	4.2
159.11711	5.0
168.49460	4.2
175.03938	8.0
185.09621	13.7
201.09137	15.5
203.03474	6.0
211.07503	5.9
213.09102	29.4
225.81448	4.9
227.10725	8.7
237.12723	8.4
255.13815	98.4
256.14249	7.0
257.07999	6.8
269.15411	7.1
273.14893	12.7
275.09164	14.9
294.63507	4.3
297.14896	16.4
311.04382	4.3
315.15930	100.0
316.16144	6.8
396.26505	18.1
397.20361	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	396.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.2
55.01843	0.9
55.05480	1.3
56.05027	0.6
57.03438	5.5
59.04982	0.8
60.04511	0.9
61.02898	1.1
62.06074	1.1
65.03906	0.7
67.05469	1.8
68.05015	0.7
68.99793	0.6
69.03432	5.4
69.07034	0.6
69.21857	2.6
69.22286	2.6
70.06593	11.1
71.04992	2.5
72.08149	2.3
73.02884	1.3
74.06088	0.5
79.05479	2.7
81.03419	9.7
81.07039	2.0
82.06571	0.6
84.04499	1.1
84.07642	0.8
84.08143	15.9
85.02441	0.7
85.02903	10.2
85.06548	3.5
86.09675	1.6
87.00824	4.1
91.05489	3.6
93.07053	1.1
95.04964	2.8
95.08575	1.6
97.02884	4.4
98.09691	55.5
98.21445	1.1
99.04445	5.1
99.10032	0.6
103.05429	0.9
104.03432	1.6
105.01855	3.9
105.03407	0.5
105.07053	1.1
106.06544	1.0
107.04958	3.2
107.08576	0.7
109.02888	3.9
109.06490	1.1
110.07140	0.9
112.07617	0.8
113.06002	45.8
113.09634	18.9
114.05486	1.4
114.06297	1.1
114.09995	0.6
119.04945	0.8
119.08567	1.3
120.08105	3.7
125.05957	0.5
127.03905	6.6
128.07054	1.1
129.01855	0.7
129.10222	0.8
130.08612	2.5
131.04904	1.9
131.07043	13.5
131.10654	1.4
133.06451	0.5
135.04369	0.5
136.07536	0.7
137.05943	0.9
138.09055	0.5
143.08597	0.5
144.10165	1.2
145.04910	2.0
146.06024	0.7
148.29738	0.5
149.05977	1.1
151.03879	0.6
158.11763	100.0
159.02866	1.5
159.12181	2.6
165.05484	1.1
166.08687	0.7
174.07642	4.2
177.05516	0.6
192.06509	1.0
206.08188	1.4
213.04022	0.6
216.06584	1.9
231.05083	1.0
234.07634	1.0
234.11516	0.8
288.14612	0.6
293.09802	0.5
313.50760	0.5
378.19629	0.7
396.24020	33.1
397.24216	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	396.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01865	0.8
56.05037	0.5
56.77668	0.3
57.03432	0.9
60.04517	1.2
61.02925	0.9
62.06065	0.4
67.05503	5.2
69.03425	4.3
69.07079	2.8
69.70380	2.6
70.06590	100.0
71.04990	2.7
71.06923	0.8
72.08162	1.0
73.02927	0.7
74.06063	0.5
79.05494	3.7
81.03436	2.6
81.07053	2.5
83.04974	1.3
84.04497	0.8
84.08145	2.8
85.02902	8.4
86.02425	0.8
86.09724	1.7
87.00825	3.7
91.05483	1.2
93.07034	3.5
94.06563	3.0
95.04964	13.0
95.08609	0.7
97.02881	4.8
97.06550	1.4
99.04454	2.1
103.05482	1.0
104.03480	4.1
105.01860	5.3
106.06563	2.6
107.04946	7.6
109.02869	3.2
109.06503	0.4
110.07224	0.6
112.07601	23.2
113.06005	6.4
113.09655	1.5
120.08099	4.1
121.06508	2.7
121.10165	0.9
125.05978	2.1
127.03912	8.6
129.10257	1.1
130.08636	35.8
131.04918	3.2
131.07054	0.9
131.10710	0.4
132.04453	0.5
136.07635	0.4
145.04942	3.5
146.06010	1.5
149.05974	4.0
150.41457	0.4
159.02910	1.3
174.07617	43.8
175.07976	0.7
187.06175	0.5
188.07076	0.7
192.06656	1.6
206.08124	2.3
216.03705	0.4
216.10144	4.0
220.92978	0.4
231.05118	1.3
234.07637	1.5
234.11247	4.9
249.06024	0.6
252.08669	0.7
336.10904	0.5
352.21188	8.9
353.21698	0.4
372.34204	0.4
396.20319	10.5
397.20703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48556	0.2
55.01860	0.6
55.05499	0.5
56.05011	0.6
57.03432	0.6
60.04529	1.9
63.88328	0.2
67.05479	0.7
68.15912	0.2
69.03431	1.4
69.07063	1.2
69.31964	2.4
70.06588	3.3
71.04972	0.7
72.07822	0.3
72.08157	3.7
73.02871	0.3
74.06052	0.8
79.05453	0.5
81.03393	1.2
81.07060	0.3
82.06548	0.3
83.04966	0.6
84.04491	1.7
84.08126	1.8
85.02903	2.8
85.06567	0.3
86.06032	0.3
86.09710	2.4
87.00829	1.2
87.04458	0.4
90.48231	0.2
91.05479	0.7
93.07034	0.5
95.04922	0.9
97.02859	1.5
97.06498	0.3
98.06024	0.3
102.05522	0.8
103.05404	0.2
105.01861	1.6
105.03364	0.6
107.04929	0.8
109.02865	1.3
110.07126	0.7
112.07578	0.4
113.05946	0.5
116.07098	0.5
118.74599	0.2
119.04941	0.5
120.06573	0.4
120.08097	3.5
121.02875	0.5
125.21674	0.3
127.03916	2.8
127.08683	0.4
129.10251	0.6
130.04971	0.5
130.08609	0.5
131.04895	0.4
131.07057	0.7
136.07578	3.8
142.08624	0.3
145.04976	1.2
147.04404	0.5
147.06775	0.7
147.07910	0.3
148.07553	1.4
149.05893	0.3
162.05484	0.4
162.09120	1.5
164.07088	0.3
165.05444	0.7
166.08685	0.4
169.09731	0.5
169.82701	0.3
172.07475	0.3
173.08316	0.5
174.05476	0.3
174.07603	0.9
175.06285	18.9
176.06755	0.4
182.08150	0.5
187.10809	1.7
188.07104	0.3
189.07823	2.8
190.08630	19.8
191.08940	0.5
202.10722	0.3
215.10266	0.7
216.06851	0.6
216.10191	5.0
231.05034	0.5
234.11243	100.0
235.11565	4.0
240.94807	0.3
249.06100	0.3
249.12378	0.8
249.16014	0.9
249.18408	0.3
250.09065	0.4
277.11896	0.6
277.15372	0.4
297.06479	0.4
297.10278	0.3
311.05927	0.4
360.23615	0.4
378.24936	0.6
396.16522	17.5
397.16898	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01880	0.6
55.05502	0.9
56.05029	0.8
57.03432	1.3
60.04514	0.5
61.02936	1.2
61.07169	0.5
69.03432	6.2
70.06596	5.5
71.04967	1.2
71.51972	0.7
72.08130	1.7
73.02904	1.5
74.06087	1.1
81.03419	2.3
83.04964	0.9
83.33209	0.6
84.08138	2.1
85.02903	9.7
86.09692	2.3
87.00814	0.9
87.04469	1.1
91.05508	0.9
93.07072	0.8
95.05007	0.8
97.02906	4.1
97.06498	0.9
99.43954	0.6
101.07176	0.6
103.05458	0.8
104.03461	0.8
105.01862	1.1
105.03420	0.6
107.04945	1.8
107.08611	0.5
109.02879	2.4
110.07218	0.9
112.07618	0.5
120.08086	1.0
121.35870	0.5
127.03887	2.9
128.69151	0.6
129.10210	0.6
130.08629	1.3
131.04916	1.6
131.07103	0.7
132.08087	1.8
136.07582	2.6
144.08070	7.9
145.04996	1.4
145.06490	0.5
146.06006	4.0
147.04448	0.8
149.05959	0.6
159.06770	1.5
160.07597	3.0
172.07578	2.6
173.08369	6.5
174.05508	14.4
174.07753	1.0
174.09029	2.7
175.06281	10.0
176.06920	0.6
177.05440	0.6
186.09138	0.7
187.14462	1.4
188.07050	10.4
189.07837	11.0
190.08630	60.0
191.09001	2.1
198.09196	0.5
200.07106	1.1
202.08670	3.0
214.08635	3.1
215.13861	0.6
216.10191	4.2
231.05038	0.7
234.11243	47.5
235.11662	2.5
244.09764	1.1
251.10199	1.3
334.13333	0.6
352.13907	18.7
396.16534	100.0
397.16904	5.5
413.03683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	26.5
57.07072	33.8
60.80853	6.4
67.05500	45.5
69.07066	44.3
71.08617	23.5
71.52924	6.6
77.75903	6.0
79.05491	18.3
81.00846	6.4
81.07057	100.0
83.08617	18.6
85.10170	13.0
87.04948	6.9
88.36877	6.7
91.05489	41.4
93.07021	32.1
95.08618	65.6
95.21450	7.9
97.10177	14.2
105.07017	47.2
107.08588	37.3
109.10150	26.2
111.11755	7.6
117.06989	22.3
119.08611	39.8
121.10132	19.6
123.11687	12.2
129.07022	9.8
131.08546	36.8
133.10138	47.7
135.11661	10.0
137.13272	7.4
139.91849	7.1
145.10106	77.7
147.11673	39.1
157.10139	15.4
159.11703	61.7
161.13211	13.3
173.13278	15.4
230.52779	7.3
338.82748	7.4
395.22299	8.3
395.36826	96.3
396.36902	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	396.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.1
55.05502	0.2
56.05011	0.2
57.03428	0.1
60.04527	1.2
69.03409	0.5
70.06573	0.6
71.05002	0.1
71.52110	0.2
72.08139	0.9
72.87949	0.1
74.06054	0.2
79.05490	0.2
81.03381	0.2
83.04971	0.2
84.04478	0.2
84.08136	1.2
85.02449	0.1
85.02902	1.0
85.08443	0.4
91.05479	0.2
91.85972	0.1
95.04922	0.2
97.02859	0.4
98.97558	0.4
105.01873	0.2
105.03369	0.2
109.02872	0.2
113.06011	0.2
116.98571	0.3
119.04922	0.3
120.04447	0.4
120.08083	0.4
127.03881	0.5
129.10239	0.8
130.08649	0.2
130.10577	0.2
134.05984	1.0
136.07568	1.0
139.27974	0.1
145.04980	0.2
146.05984	0.4
146.14032	0.2
147.06812	0.2
148.07501	0.2
160.07544	1.2
161.08360	0.4
162.09099	0.3
172.07590	0.2
173.04698	0.7
174.05518	0.7
175.06282	9.6
188.07048	2.3
189.07816	2.9
190.08615	1.2
191.05620	0.2
192.06499	0.4
201.04211	0.9
206.08160	0.2
216.06583	2.5
219.05290	0.6
231.04837	0.2
234.07596	100.0
235.07918	2.4
235.14412	0.4
237.02716	0.2
249.06226	0.2
311.05838	0.1
360.23874	0.4
378.24768	0.4
396.12851	8.0
396.17972	0.4
397.13519	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	395.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.1
57.07074	13.2
57.49381	2.2
67.05506	18.6
69.07075	15.8
71.08635	12.1
71.52223	2.6
79.05495	9.2
81.07062	32.0
83.08617	9.8
85.10152	5.6
91.05490	12.4
93.07068	14.6
95.08615	23.8
96.75692	2.4
97.10152	8.0
104.47547	2.7
105.07034	22.1
107.08568	13.5
109.10169	17.6
110.99354	2.3
111.11748	3.8
117.07011	8.8
119.08585	12.4
121.10150	4.4
123.11713	7.8
125.13296	3.0
129.07027	3.2
130.07864	2.8
131.08562	14.8
133.10141	22.3
135.11700	5.1
143.08571	6.8
145.10118	31.8
146.10486	2.3
147.11710	16.2
149.13315	3.6
149.75171	2.8
151.14845	3.7
157.10132	6.6
159.11688	27.5
161.13287	6.5
163.14847	3.2
173.13307	8.7
175.14833	2.6
185.13229	5.7
187.14796	4.8
189.16422	3.0
199.14778	3.9
201.16364	4.0
213.16446	6.3
241.19597	4.1
241.89413	3.0
255.21255	7.1
290.12143	2.5
395.36780	100.0
396.37225	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	395.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
54.93352	0.8
55.05505	8.9
57.07073	4.2
65.03929	1.2
66.01424	0.7
67.05502	28.5
69.07063	21.9
69.13999	0.8
69.48990	4.7
71.08631	1.0
79.05488	8.1
81.07053	34.4
83.08615	8.1
85.06528	1.0
91.05462	6.4
93.07040	20.8
95.05000	0.8
95.08603	75.5
96.08942	2.0
97.10175	4.6
105.07025	14.0
107.08584	30.5
109.10151	100.0
110.10487	2.3
111.11722	6.7
115.05490	0.7
117.07009	2.5
119.08572	15.0
121.10139	30.8
123.08058	0.9
123.11702	19.8
124.12101	0.9
131.04819	0.7
131.08578	2.9
133.10115	18.4
135.11684	20.7
137.13255	7.5
143.08577	1.1
145.10130	4.4
147.08078	0.8
147.11676	9.2
149.13255	15.9
151.14832	2.2
157.10136	2.0
159.11658	4.4
161.13277	7.1
163.14822	5.7
165.16333	0.9
169.10103	1.2
171.11670	0.8
173.13280	2.3
175.14777	4.6
177.05536	1.5
177.16374	14.6
180.78157	0.8
185.09622	0.8
187.03903	1.8
187.14845	2.1
189.05518	1.6
189.16376	17.0
191.17929	8.3
201.16408	3.0
203.17943	9.8
205.19504	36.7
213.09009	1.0
215.07066	2.9
215.17972	1.7
217.19450	4.2
219.10190	1.9
219.21150	1.1
229.12280	0.9
229.19594	1.9
231.21059	4.4
233.11755	0.9
241.08458	1.0
243.21130	1.8
245.22604	1.5
257.22672	2.3
259.09668	10.5
260.10001	0.9
263.10831	0.9
271.24207	1.7
273.14825	2.2
285.25742	1.8
299.27362	1.2
311.27579	0.9
325.14127	3.8
325.28799	2.9
335.16266	2.5
364.97015	0.8
367.22897	1.1
377.24680	4.9
395.21893	4.5
395.29550	2.7
395.36743	25.4
396.37076	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	395.2215
Annotation	8-Hydroxytriptiliocoumarin
Peak:m/z	Relative Intensity
53.03933	1.5
55.01849	2.7
55.05510	9.9
57.07085	4.8
59.04987	2.3
65.03928	1.2
67.05502	7.8
69.07071	13.5
71.04985	1.5
71.54604	1.6
79.05492	5.8
81.06590	1.5
81.07047	15.5
83.01334	1.6
83.08609	3.4
85.06536	6.0
91.05474	19.4
93.07040	76.2
94.70439	0.9
95.04943	3.6
95.08599	12.1
97.06511	1.6
103.05465	2.2
103.39262	1.0
105.07030	24.7
107.04922	1.7
107.08587	14.0
109.06496	1.5
109.10139	6.4
111.09487	0.9
115.05418	1.8
117.07001	3.2
119.04925	3.2
119.08582	34.9
121.06456	2.9
121.10147	7.7
123.08051	1.4
123.11689	3.6
125.06007	1.4
128.06186	1.6
129.06975	3.7
131.04897	4.0
131.08574	7.6
133.06476	3.2
133.10124	13.6
134.05154	1.0
135.04431	2.7
135.11679	10.9
136.99541	0.9
137.05940	2.5
137.13235	2.1
141.06981	2.5
142.07793	2.4
143.08562	6.8
145.06438	3.1
145.10130	7.9
147.04384	9.5
147.08038	11.3
147.11676	7.3
149.05916	4.5
149.13217	1.7
149.47786	1.1
153.06989	1.0
154.07761	1.8
155.08574	2.9
156.09232	1.4
157.06422	1.2
157.10104	4.7
159.04411	5.8
159.07977	2.7
159.11671	5.5
161.06020	5.5
161.09671	1.3
161.13254	54.5
163.03915	2.7
163.07536	1.8
163.14798	2.2
165.07005	1.2
167.08484	1.3
169.10078	3.3
171.04329	1.1
171.07973	1.5
171.11655	3.7
173.05916	3.3
173.09550	3.4
173.13277	2.8
175.03906	38.8
175.07544	8.9
175.11102	2.1
175.14763	2.3
177.05469	15.4
177.08990	1.3
179.08415	1.7
179.08961	1.3
179.10664	15.4
182.07315	1.0
183.08031	1.7
183.11679	2.2
185.05978	1.8
185.09613	4.4
185.13211	2.8
187.03923	18.5
187.07524	4.0
187.11165	1.7
187.14731	1.8
189.05431	10.4
189.09087	9.9
189.12740	6.1
189.16402	1.3
190.05513	1.1
191.10733	1.7
195.11716	1.1
197.09535	3.8
197.13293	1.5
198.06709	2.2
199.03844	1.8
199.07472	2.7
199.11186	1.3
199.14894	1.9
201.05469	5.4
201.09071	4.8
201.16339	2.8
203.03381	5.7
203.07042	2.0
203.10596	2.6
205.04900	2.9
205.12135	2.2
207.10191	6.7
209.09474	2.4
209.13039	1.6
211.07466	1.2
211.11127	1.8
211.14751	1.3
212.08308	1.3
213.09082	6.6
213.16425	1.2
215.05087	0.8
215.07021	20.2
215.10469	2.2
217.04956	4.4
217.08583	7.0
217.15930	1.0
219.10132	9.1
221.11609	1.4
225.09061	4.0
225.12704	1.5
227.10643	2.9
229.08546	6.4
231.10123	9.1
233.11659	10.9
237.12863	1.0
237.16362	1.4
239.10689	2.1
239.14284	1.2
241.08543	9.4
241.12202	2.3
243.10109	1.7
243.13785	1.3
251.14153	1.1
253.12254	9.1
253.14798	1.4
255.13750	2.1
259.09653	83.7
260.09882	2.2
261.11197	28.2
265.12314	1.1
267.13873	2.8
269.15228	1.0
271.09442	1.3
273.12149	1.4
273.14868	8.7
279.13699	1.3
287.16467	1.5
297.14908	5.9
309.18481	2.4
311.16348	3.0
311.19751	1.5
321.18503	1.5
321.25729	2.7
323.20041	1.6
325.17874	1.9
339.15817	7.8
339.19415	1.9
352.20313	1.4
353.21072	1.7
359.27176	1.3
365.21228	9.3
367.22513	7.6
377.24603	9.4
377.28360	1.6
395.22028	100.0
395.29944	13.0
396.22586	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	395.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
54.15701	0.9
55.01869	4.9
55.05515	4.8
57.07064	1.0
59.04990	2.1
65.03931	2.6
67.05506	10.9
69.03429	13.3
69.07053	3.5
69.78299	4.7
71.04985	3.2
76.57555	0.9
77.15632	1.0
79.05489	16.8
81.02984	1.3
81.03416	14.6
81.07062	7.4
81.22883	0.9
83.04971	4.4
83.08618	1.2
85.06536	2.5
91.05480	20.7
93.03413	1.3
93.07040	9.3
95.01329	88.1
95.04379	1.5
95.04965	25.5
95.08581	3.6
96.01697	1.4
97.02844	1.8
97.06506	2.2
98.20832	1.5
103.05466	7.6
105.07030	62.0
106.07322	1.5
107.04929	4.1
107.08590	6.2
109.06513	6.8
109.10130	2.5
111.04422	1.6
111.08067	1.2
115.05433	7.5
116.06233	1.0
117.07027	7.6
119.04905	2.4
119.08585	31.9
120.04738	0.8
121.06509	11.1
121.10156	4.7
123.04427	1.1
123.08066	8.3
125.06019	1.1
128.06223	9.4
129.07022	11.6
130.07759	2.7
131.04913	3.5
131.08562	17.2
132.05669	1.9
133.06491	39.4
133.10127	12.0
135.04361	2.0
135.08018	4.6
135.11670	1.9
137.05940	2.5
141.06978	13.8
142.07779	11.8
143.08559	27.4
144.05663	1.3
144.09291	3.2
145.06474	15.6
145.10135	15.5
146.10875	1.8
147.04352	3.0
147.08040	18.2
147.11687	13.5
149.05984	8.0
149.09613	2.6
152.06247	1.1
153.06955	3.8
154.07724	3.1
155.08553	12.3
156.09348	63.9
157.06447	2.4
157.10146	18.5
159.04393	3.0
159.08067	6.8
159.11684	18.7
160.11967	1.1
161.05978	61.0
161.09570	3.7
161.11978	1.3
161.13255	17.5
162.06311	2.7
163.03856	1.1
163.07561	8.6
165.06952	3.3
166.07751	1.7
167.08583	7.1
168.09297	3.4
169.06425	1.3
169.10120	16.1
170.10902	2.2
171.08154	5.0
171.11685	100.0
172.08676	1.0
172.12006	4.1
173.05975	2.1
173.09590	3.2
173.13199	3.1
174.10347	3.4
175.07536	14.4
175.11156	4.2
175.14752	0.9
177.12764	2.4
178.07736	3.6
179.08585	8.2
180.09271	4.3
181.06505	1.1
181.10121	8.3
181.93069	0.8
182.07172	1.2
182.10811	3.3
183.07991	2.4
183.11720	9.9
184.12236	1.1
185.05928	1.9
185.09633	6.2
185.13229	5.9
187.07480	3.6
187.11200	20.5
189.05435	5.1
189.06995	1.6
189.09119	2.5
189.12740	74.3
190.13104	2.9
191.08574	2.6
192.09386	5.6
193.10152	11.4
194.10953	4.6
195.07962	4.4
195.11728	9.4
196.12367	1.6
197.06010	1.1
197.09550	3.9
197.13295	7.5
198.10240	1.2
199.07539	2.8
199.11134	2.4
199.14925	1.4
201.05443	6.5
201.09126	2.4
201.12723	1.6
202.07750	1.5
203.06958	4.7
203.08646	2.7
203.14282	1.5
204.09349	4.4
205.04971	12.3
205.10141	5.7
205.11908	1.3
206.10960	4.3
207.06450	1.1
207.11696	13.7
208.12402	4.4
209.09604	5.6
209.13258	13.3
210.13878	1.5
211.07448	4.1
211.11148	5.3
211.14813	1.9
212.08142	1.0
213.09131	2.1
213.12674	3.5
215.06853	1.2
215.08568	2.6
215.10387	0.9
216.09265	3.5
217.10184	4.5
218.10760	2.0
219.06444	2.5
219.08215	1.8
219.11665	6.5
220.08882	2.0
220.12360	2.6
221.09554	3.8
221.13222	5.5
222.10370	3.0
222.13864	2.1
223.11136	4.0
223.14813	2.1
224.11823	1.6
225.09128	6.4
225.12730	6.8
225.16248	1.1
227.06914	2.1
227.10603	2.5
227.14275	6.3
228.09221	1.4
228.11304	1.1
229.10309	1.8
229.12193	1.5
230.10931	4.3
231.07957	1.4
231.11642	6.3
232.08705	2.0
232.12325	2.8
233.09647	4.9
233.13298	5.6
234.10275	2.9
235.07486	1.0
235.11205	9.6
235.14780	5.9
236.11900	2.1
237.09006	1.7
237.12828	4.1
237.16341	3.8
238.09740	0.9
239.10588	2.4
239.14374	2.1
241.10124	1.6
241.12311	1.4
242.10980	1.8
243.11647	3.6
244.12413	2.5
245.09534	3.3
245.13342	5.0
246.10342	3.8
246.13861	1.9
247.11189	5.9
247.14807	5.6
248.11981	4.3
248.15643	0.9
249.09082	2.8
249.12769	4.3
250.09859	3.8
251.10568	3.8
251.14264	3.4
252.11104	1.4
253.12344	5.4
253.15704	2.5
255.11630	3.1
256.12335	1.7
257.09729	1.4
257.13150	4.6
257.15509	1.1
258.10394	1.8
259.11209	5.2
259.14752	2.3
260.11826	2.7
260.15472	2.2
261.08887	1.3
261.12662	8.0
261.16333	2.1
262.09921	1.8
262.13358	1.8
263.10596	3.7
263.14233	6.8
264.11340	3.7
264.14893	2.5
265.12161	23.8
265.15701	4.0
266.12775	2.7
267.09912	1.1
267.14038	1.2
270.10361	1.1
270.13873	1.8
271.11057	1.6
271.14545	1.5
271.17084	2.2
272.11990	2.1
272.15378	1.7
273.09125	0.9
273.12671	6.7
274.13501	2.4
275.10571	4.5
275.14236	2.6
275.17841	1.4
276.11298	1.5
276.14960	1.1
277.09027	1.3
277.12173	11.2
277.15363	1.3
278.12817	2.3
279.13876	5.7
281.12109	2.0
281.15231	4.3
283.11145	2.7
284.11896	1.5
285.12653	4.2
285.15887	1.8
286.13452	1.8
287.10892	1.1
287.14224	3.8
287.17801	2.2
288.11792	1.1
288.14926	2.2
289.12155	3.7
289.15732	4.2
290.12808	1.8
290.16501	1.1
291.10052	3.7
291.13672	4.8
291.17105	1.9
293.11618	6.2
293.15256	2.9
295.13574	1.2
298.13470	1.9
300.15033	2.8
301.12170	7.0
301.15527	2.2
302.12823	1.2
303.10422	1.7
303.13724	5.2
303.17337	5.2
304.14038	1.2
304.17996	1.3
305.15210	2.6
305.18954	2.2
307.13235	6.4
307.16879	5.7
309.14694	3.2
309.18268	2.0
313.15768	7.2
315.13806	2.5
315.17343	7.1
316.14383	4.8
317.11615	3.0
317.15244	5.5
318.12659	1.5
318.16080	7.1
321.14944	1.8
321.18350	7.9
322.19012	1.1
326.13098	1.3
331.13879	1.5
331.16904	34.9
332.17227	2.7
333.14728	12.6
333.18442	24.9
334.15161	1.5
334.18723	1.9
335.12683	5.6
335.16263	4.5
339.19504	1.0
341.15298	2.9
344.14047	2.1
349.17944	22.9
351.15756	4.6
351.19467	14.3
353.13696	2.8
359.16412	50.1
360.16815	4.2
367.18909	2.7
377.17459	62.0
378.17728	4.4
395.18433	53.3
396.18735	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	395.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03942	1.3
55.01875	0.5
55.05504	1.2
55.26864	0.3
57.03422	1.0
57.33044	0.3
61.02909	0.9
62.43790	0.3
67.05505	1.6
69.03426	5.4
69.07070	4.9
71.04980	0.5
73.02907	0.3
77.03925	3.1
79.05486	1.8
81.03413	7.2
81.07056	1.6
83.08610	1.2
85.02903	8.0
85.03380	0.6
85.06543	0.5
91.05484	2.6
93.07050	1.2
95.04971	1.9
95.08609	1.3
97.02888	1.7
97.06548	0.6
98.21491	0.9
99.04454	1.3
103.05444	0.8
105.03410	2.0
105.04494	0.5
105.07042	3.1
107.04954	3.9
107.08596	0.8
109.02881	3.8
109.06496	0.7
115.05463	0.7
117.07016	2.2
119.04923	0.8
119.08569	1.4
121.02892	0.3
121.06502	1.0
123.04433	0.4
127.03911	2.6
128.06238	0.3
129.07037	0.7
131.04950	0.9
131.08583	1.7
133.02852	29.7
133.06494	5.0
133.10129	0.5
134.03229	0.5
135.04410	8.0
135.08093	0.4
141.07025	0.8
143.08525	0.7
144.05717	1.7
145.06487	9.1
145.10117	3.1
146.07268	0.4
147.04407	6.5
147.05533	0.6
147.08055	9.1
149.05943	0.6
151.03900	52.8
152.04254	1.4
155.06029	0.6
157.06538	0.3
158.07320	1.5
159.04413	0.9
159.08063	2.2
159.11673	1.4
161.05992	1.2
161.09586	1.5
163.07516	0.4
163.11166	1.5
165.05510	2.2
171.08043	0.4
172.08813	0.9
173.05965	2.8
173.09642	6.8
176.04660	0.6
177.05466	1.3
179.06996	0.4
187.07530	1.1
187.11177	2.4
187.86110	0.3
189.12750	0.4
191.06932	1.7
191.10745	0.6
197.09647	0.9
203.10704	1.0
215.10661	11.7
215.12733	0.6
216.11179	0.4
229.37102	0.5
233.11719	100.0
234.12056	4.5
251.12778	6.2
277.07132	0.4
285.67947	0.3
359.15082	0.4
377.11523	0.6
377.15955	7.8
378.16260	0.4
395.17026	8.0
396.17401	0.7
414.05615	0.3
414.73804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	10.5
56.07428	5.6
58.86881	4.4
65.03953	5.5
65.43118	6.3
67.05515	23.7
69.03418	16.1
69.07059	14.6
69.60732	33.1
70.06593	17.6
71.81758	4.0
79.05503	7.6
81.03419	17.4
81.07047	14.5
83.04985	6.0
85.02908	5.7
85.06541	13.3
91.05473	21.6
93.07034	22.2
93.15578	4.9
95.05000	9.5
95.08615	6.7
97.06535	6.4
97.64027	5.1
105.07030	20.8
107.04977	7.3
107.08599	12.0
109.02853	27.6
109.10181	10.9
117.07056	8.2
119.04932	8.2
119.08582	11.3
121.06513	10.8
131.08521	8.9
133.10132	5.4
135.04405	8.2
137.05978	11.8
145.10118	16.6
147.04416	18.3
147.11685	7.2
157.10176	7.6
159.04366	4.8
159.11708	7.0
163.03938	8.7
163.11174	13.3
169.87567	4.5
171.11711	7.0
173.09598	10.8
175.03908	100.0
176.04189	8.9
177.05519	10.4
180.58237	5.3
187.03912	16.9
187.11214	9.9
189.05522	9.8
196.34209	5.6
199.03998	8.6
203.03316	5.1
203.07047	7.4
207.06555	5.8
207.32297	5.8
213.05441	5.4
215.10733	13.0
224.54019	5.4
229.08612	24.4
231.10147	16.4
233.11783	18.7
234.79530	5.0
241.08534	25.5
243.10266	25.2
245.10591	6.8
247.09659	48.5
255.10133	7.9
295.13501	7.4
313.14304	23.2
331.15274	11.1
371.13205	6.1
389.14117	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	395.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.3
55.05483	0.3
55.14806	0.2
55.15083	0.2
56.05018	0.7
56.96306	0.3
56.96563	4.3
57.03434	0.2
57.48206	0.2
58.06575	0.4
60.04496	0.8
60.17062	0.2
61.02911	0.4
68.05024	0.4
69.03416	1.0
69.07067	0.3
70.06591	2.6
70.88536	0.6
71.04985	0.7
72.08150	1.5
73.02898	0.3
74.06062	1.0
79.05473	0.3
81.03438	0.5
82.02959	1.6
83.04961	0.4
84.04510	0.4
84.08148	2.4
84.96014	1.0
85.02911	2.1
86.06032	0.2
86.09695	0.7
88.07613	1.9
88.43383	0.2
90.11893	0.2
91.05472	0.6
93.90292	0.2
95.14547	0.2
96.05612	0.4
97.02914	1.5
98.06042	0.5
98.97588	7.8
99.04469	0.4
104.05332	0.3
105.03412	0.3
109.02869	0.5
110.02416	0.5
110.07146	0.5
110.97556	1.4
112.08701	0.3
114.05535	10.9
116.07085	0.5
116.98625	4.1
119.04958	0.3
120.08103	0.7
123.06658	0.9
124.05090	2.1
126.05463	0.4
127.00705	0.5
127.03899	0.8
128.98605	2.0
129.10228	1.0
130.08615	0.3
130.12227	0.4
131.00189	0.6
132.02841	0.3
132.10164	0.3
133.01791	0.5
133.06049	0.4
134.99641	1.4
136.07567	3.6
137.02327	0.7
138.01828	0.6
140.00159	0.3
140.07047	0.7
142.05008	1.5
142.06029	0.4
143.00145	0.7
143.03778	0.6
145.01764	2.1
145.02805	0.3
145.04974	0.4
146.99638	0.9
147.04460	0.6
149.01271	0.4
149.04590	12.7
151.02777	0.3
152.03409	0.6
152.98593	0.3
153.09892	0.2
154.04948	0.3
155.03401	6.8
158.98532	0.3
158.99626	1.7
160.06038	1.0
161.01198	0.9
161.04863	2.3
163.02792	2.7
166.07249	100.0
167.05704	1.4
167.07520	0.9
168.06627	0.3
170.04329	0.3
170.99617	0.4
173.04869	0.8
174.99181	0.3
175.02734	0.3
177.00719	2.1
179.05865	0.6
180.02957	0.9
184.06046	0.7
186.08978	0.2
187.02795	0.7
188.02109	0.3
189.00723	0.4
189.04298	0.4
191.05907	3.9
192.05127	0.3
192.08818	0.4
195.01747	0.3
197.01273	0.5
198.04230	0.3
201.00771	0.2
202.07170	0.4
203.02155	0.3
205.03836	0.8
206.10397	0.5
209.06972	1.9
215.02406	0.3
215.05939	0.7
216.08765	1.8
217.09622	0.3
219.01765	2.7
219.05283	0.5
220.08336	0.6
221.01224	0.3
228.08873	0.5
230.06599	4.0
230.10323	0.6
231.05237	0.3
233.07022	0.8
233.14973	2.4
234.07562	0.6
234.09747	0.3
235.14429	1.3
237.02824	5.1
239.02296	1.0
240.08801	0.6
240.57399	0.6
240.89886	0.2
243.01926	0.3
255.03847	0.6
257.03360	0.9
258.09802	0.3
260.04190	0.3
263.13971	0.5
266.06821	0.2
267.00180	0.3
272.06549	0.3
275.07996	0.5
281.03180	0.4
284.07718	0.7
289.05972	0.4
291.07523	0.6
307.07037	0.8
309.08621	1.8
335.10135	9.0
336.10477	0.3
353.07629	0.6
353.11221	7.0
359.11069	0.4
363.10422	0.4
371.08792	0.5
376.12784	0.4
377.12097	1.5
394.72321	0.3
395.13080	14.4
395.20425	0.5
396.13333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.1
55.01863	9.7
55.05505	7.2
56.05027	4.2
57.03436	10.6
57.07058	2.5
58.06583	8.9
60.04517	8.1
61.02916	7.0
62.01993	2.1
66.83408	2.3
67.05489	7.5
68.99785	4.7
69.03429	49.2
69.07071	11.1
70.03745	3.4
70.06592	71.1
71.04991	10.2
71.53513	2.7
72.08162	22.1
73.02922	9.1
79.05498	6.3
81.03417	53.7
81.07055	6.6
82.06560	3.3
83.04985	4.1
83.08601	4.7
84.04486	4.4
84.08147	16.1
85.02904	73.4
85.06560	19.5
85.76578	2.1
86.09221	3.9
86.09706	45.6
87.00829	28.9
88.07645	2.6
91.05488	5.7
93.07051	4.2
95.04983	4.8
95.06084	3.2
95.08605	4.7
96.08112	2.6
97.02897	26.0
98.06039	2.5
98.09689	43.4
99.04446	16.6
99.08077	6.2
100.07560	2.6
100.11237	17.4
100.81838	2.4
102.09173	28.1
105.01879	26.2
105.03360	3.0
105.07034	4.4
107.04982	3.7
107.08581	2.3
108.08101	2.8
109.02877	48.0
109.06501	3.2
110.07178	2.8
110.09693	2.6
111.08066	17.3
112.11221	10.9
113.09664	8.1
115.05396	2.6
116.10722	4.2
117.01851	5.2
119.04913	3.4
119.08579	3.0
120.04478	4.8
120.08121	17.4
124.59935	2.2
125.05997	3.9
127.03916	64.6
128.07060	4.7
128.10715	42.2
129.01842	4.2
129.09120	55.4
129.10088	3.5
130.12306	5.1
131.08553	2.4
133.10092	2.4
135.04456	3.1
136.07643	12.0
137.05971	13.5
138.09215	2.4
145.04947	25.6
146.08131	2.8
146.11765	100.0
147.03000	3.1
147.04408	5.5
147.82632	2.0
151.03928	2.5
159.02881	22.3
161.05995	2.8
166.04955	2.3
168.40744	2.1
179.10664	3.7
187.06116	2.8
189.09122	8.5
190.09535	4.8
197.11745	12.7
213.03983	5.5
216.08795	6.2
217.09109	8.0
230.67842	3.0
231.05052	15.7
231.10239	4.8
231.89513	2.5
232.10446	4.8
233.11713	3.5
240.08826	2.4
241.09161	5.5
249.06189	2.9
256.10349	2.4
258.40662	2.4
283.64441	2.2
301.11096	11.5
308.16809	2.8
350.18011	4.8
373.05832	2.6
377.14423	5.0
394.17108	90.5
395.17590	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	394.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96305	1.6
56.96564	21.0
60.04516	1.7
69.03421	2.1
70.06583	14.2
71.50617	2.4
72.08157	3.7
72.96046	1.6
74.97564	1.4
84.08128	5.7
84.96033	3.7
85.02871	4.2
86.09698	2.1
91.05480	2.0
97.02892	4.3
98.97584	63.7
110.97558	13.4
112.99168	1.6
116.07084	2.9
116.98629	35.7
119.01912	2.0
128.81590	1.5
128.98605	15.9
131.00151	2.9
134.99643	10.9
140.00197	3.0
143.00139	3.4
144.10194	4.1
145.04869	1.6
146.99632	8.4
147.04387	2.8
149.01183	2.7
154.01779	5.4
158.01237	2.5
158.99660	21.5
161.01231	4.8
165.00764	2.0
170.99615	6.9
172.02785	12.4
174.04321	1.4
177.00737	30.4
182.05797	2.6
185.01250	1.7
186.04420	3.0
188.02309	4.4
189.00740	18.6
190.03867	21.7
195.01750	2.6
196.02776	2.4
197.01204	3.5
200.02376	2.3
204.05469	2.1
206.03378	6.7
207.01749	6.9
208.04958	11.9
208.99672	1.7
214.03862	39.1
219.01744	7.8
220.05002	2.3
226.03891	4.9
228.05435	2.3
230.03313	3.0
232.04918	100.0
237.02820	8.7
239.02292	2.1
242.07027	2.0
244.04886	10.9
250.06004	15.4
253.11043	2.7
255.03824	3.6
255.06496	4.3
262.06000	6.2
267.00204	2.9
271.12103	3.3
274.05942	14.0
279.03860	24.5
286.05975	2.3
297.04926	3.1
297.10059	3.4
304.06967	9.3
353.07401	2.0
394.11050	2.9
394.15222	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	45.2
57.07076	19.4
62.82740	3.3
64.65523	3.3
67.05488	13.0
69.07069	36.1
69.49149	18.5
69.49564	6.5
71.08617	10.8
79.05478	13.2
81.07063	69.5
82.66169	3.6
83.08153	6.1
83.08620	100.0
91.05492	8.4
93.07047	15.0
95.08604	27.6
97.10159	15.5
98.20768	7.6
105.07021	13.8
107.08580	24.3
109.10168	16.6
117.07015	5.9
119.08582	9.3
121.10124	11.1
123.11703	7.4
131.08556	11.7
133.10135	19.9
135.11687	9.0
143.08586	6.6
145.10141	23.7
147.11671	13.7
149.13260	7.2
151.13255	3.1
157.10104	18.9
159.11702	11.1
161.13245	4.7
163.14806	3.7
171.11635	8.6
173.13301	7.9
183.11783	4.4
185.13313	6.6
187.14832	9.3
197.13277	3.3
199.14931	5.8
201.16382	9.4
211.14735	3.2
213.16487	5.5
215.17964	5.6
225.16470	3.8
239.17973	8.4
253.19568	8.2
255.21082	4.4
295.24295	16.5
309.25787	9.1
393.35156	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.8
56.05031	2.5
56.96568	100.0
57.98761	1.9
60.04529	3.1
62.78937	2.0
69.03432	5.0
69.07088	1.9
70.06590	16.7
71.50734	2.7
71.95261	3.5
72.08135	4.3
74.06085	2.7
74.97593	2.8
75.95234	1.8
81.03410	2.6
81.07059	3.0
84.04510	4.2
84.08137	6.8
84.96050	14.8
85.02910	12.9
86.09697	2.6
87.04475	4.5
88.03967	2.2
91.05495	2.3
95.04983	4.7
97.02884	5.9
97.98206	2.1
98.97591	93.0
105.03409	16.9
110.97570	10.3
112.18533	1.9
112.99142	2.6
116.07121	4.7
116.97820	4.0
116.98626	53.0
119.01913	3.2
119.04938	2.4
120.08113	6.3
121.02851	2.2
124.99162	2.3
127.03890	3.7
128.07111	2.5
128.98604	17.1
131.00153	3.8
132.04413	2.1
134.99677	23.8
137.05980	3.6
143.00208	13.4
145.04909	4.1
146.05960	2.0
146.99640	9.8
147.04420	8.9
149.01205	3.8
154.01733	2.5
156.98100	7.1
158.99655	18.3
160.99181	2.4
161.01237	18.2
161.02539	2.7
162.99123	4.2
165.04305	2.0
170.99593	2.4
172.02751	2.2
173.02943	2.5
174.99150	19.7
177.00719	27.4
177.05428	2.4
179.00175	7.3
186.99188	2.6
187.04538	2.9
189.00644	4.4
190.03926	3.1
193.00179	6.4
197.01230	73.7
200.04918	1.8
201.00592	2.5
203.02107	3.3
206.03288	2.8
207.01860	2.7
211.02792	6.8
213.04257	2.9
214.03763	3.9
215.02286	54.5
219.01801	6.5
219.14915	3.2
220.02887	4.3
221.01384	4.0
223.05444	3.1
229.03830	2.0
232.04816	10.9
237.02791	11.2
237.41870	2.3
238.03604	2.3
239.02379	22.0
248.99080	11.1
253.11218	6.4
257.03372	9.8
263.06543	2.6
267.00220	35.3
271.12042	3.5
274.06039	2.5
279.01456	4.2
279.04147	3.2
279.07101	2.0
285.01270	12.6
293.03381	2.3
297.02896	3.2
297.10156	3.7
315.11099	3.7
353.01801	16.8
368.17102	2.6
371.02890	28.0
389.04291	2.2
394.04126	2.7
394.10745	2.6
394.15164	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	393.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55204	3.1
53.03925	3.7
55.05501	12.8
57.07062	6.4
67.05502	20.9
69.07063	23.9
70.06575	5.5
71.53082	6.1
71.55817	3.0
79.05468	13.3
79.05875	3.3
81.03411	3.6
81.06644	4.6
81.07056	42.3
81.50027	3.3
83.08621	15.4
86.09690	3.6
91.05466	17.8
93.07034	32.5
95.04986	4.2
95.08609	67.8
97.10159	6.4
101.30778	4.1
105.03357	5.9
105.07023	55.2
107.08601	41.6
109.02863	4.5
109.10159	64.8
111.11738	3.4
117.06976	5.8
119.08566	62.0
121.10143	41.1
123.11701	27.3
131.08594	15.9
133.10127	65.8
135.11705	35.5
137.13239	12.3
143.08559	4.9
145.10132	32.9
147.11690	38.2
149.13217	18.6
154.26599	3.2
157.10129	10.1
159.11678	15.3
161.13278	20.7
163.14816	12.9
169.10262	4.0
171.11685	9.1
172.12408	4.5
173.13251	14.7
175.14777	15.3
177.16330	18.9
185.13263	5.7
187.14821	67.2
189.16385	54.7
191.17876	12.2
199.14891	4.8
201.16418	17.9
203.17955	55.2
213.16350	6.4
215.17851	7.4
217.19521	9.1
227.17935	3.8
229.19498	9.5
231.20941	3.8
241.19571	5.2
243.21103	3.9
255.20918	7.3
257.22736	5.9
269.22830	3.9
283.23773	4.0
323.27121	5.1
393.35181	100.0
394.35031	7.1
412.93799	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	393.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19311	1.4
55.05503	3.9
57.07049	2.5
62.76765	1.4
63.78654	1.3
67.05508	14.8
69.07066	8.7
79.05486	10.1
81.07061	27.4
83.08627	3.5
89.91692	1.7
90.72890	1.7
91.05473	7.0
93.07046	20.3
95.01326	3.8
95.04971	3.0
95.08608	38.5
97.10168	2.5
97.31678	1.7
105.07026	16.6
107.08591	24.2
109.10154	27.3
117.07021	2.0
119.08575	19.1
121.06564	2.4
121.10142	26.2
123.11709	13.3
129.06969	2.2
131.08577	6.1
133.10147	16.8
135.11699	14.4
135.70596	1.6
137.13243	7.8
143.08554	3.5
145.10123	11.8
147.11678	9.3
149.13245	12.7
155.08562	2.9
157.10172	3.7
159.11697	9.8
161.13248	12.8
163.14822	13.4
171.11670	1.9
173.13292	6.9
175.14853	10.9
177.16393	7.6
181.10133	2.0
185.13231	4.3
187.04378	1.6
187.14766	12.9
189.16386	16.6
191.17952	6.1
199.14861	2.8
201.16418	5.7
203.18002	9.8
209.13245	2.7
215.10701	1.8
215.17989	5.9
217.19519	5.7
223.14662	2.0
229.19576	6.7
230.76881	2.6
231.21107	4.3
233.52415	1.7
241.19455	2.7
243.21172	6.9
245.22656	5.3
255.21086	7.0
257.22644	4.7
269.22751	3.8
271.24258	6.0
283.24289	4.5
297.25775	3.5
309.25873	2.1
323.27234	3.3
329.85315	1.6
337.28867	2.6
347.20120	3.7
349.21747	2.0
375.19705	4.8
393.15640	2.3
393.20667	21.5
393.35168	100.0
394.20822	3.6
394.35550	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	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.6
55.01874	6.3
55.05501	23.6
55.38981	5.2
57.07055	13.0
65.03910	6.0
67.05505	35.4
69.03419	5.0
69.07069	34.4
70.77931	13.0
71.98902	5.2
79.05496	43.8
81.07053	75.6
83.04997	5.9
83.08595	16.8
85.06581	4.4
85.10162	5.2
91.05480	73.2
93.07038	86.6
95.01295	6.7
95.04968	58.4
95.08061	7.1
95.08607	68.0
97.06509	14.8
98.98460	10.8
103.05450	9.1
105.07037	87.4
107.08598	62.8
109.06507	22.3
109.10153	35.7
115.05440	7.7
117.07029	29.2
119.08580	100.0
121.06490	20.9
121.10124	46.4
123.08071	7.2
123.11682	8.7
128.06198	17.9
129.07054	24.5
130.07759	12.0
131.08560	46.8
133.10117	62.7
135.08025	10.4
135.11641	24.6
141.06929	5.1
142.07742	19.7
143.08582	44.0
144.09265	10.3
145.10117	70.6
147.08093	10.1
147.11679	28.5
149.09583	5.3
155.01010	14.5
155.08534	13.8
156.09346	16.2
157.10124	60.9
158.10947	10.2
159.11691	51.5
161.05910	10.4
161.09613	18.1
161.13200	14.4
167.08539	6.4
168.09378	7.6
169.10117	29.7
170.10916	5.7
171.11679	32.9
172.12418	5.3
173.13283	17.6
175.11188	17.4
175.14821	17.9
179.08540	7.5
181.10097	15.3
182.10921	11.6
183.11674	19.5
185.13216	21.4
187.11124	10.4
187.14764	9.6
188.11382	6.1
193.10097	7.7
194.10913	6.2
195.11700	18.8
197.13260	11.9
199.11124	6.1
199.14728	8.7
201.16383	8.7
207.11711	8.2
208.12468	7.0
209.13271	17.3
210.14024	5.6
211.14832	11.7
213.16417	6.8
223.14879	7.9
235.14816	10.8
253.15892	10.0
304.26547	7.0
333.18271	6.5
374.79044	5.2
390.48727	4.9
393.20474	22.6
393.27731	24.9
398.27512	5.4
402.18018	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	393.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	7.6
57.07057	3.6
67.05494	9.8
69.07056	8.9
69.99509	2.0
69.99816	9.6
79.05487	9.7
80.25034	1.8
81.03398	7.7
81.07059	14.8
83.08602	2.9
91.05488	13.7
93.07040	17.5
95.01323	10.4
95.04954	9.1
95.08618	22.5
97.10196	2.2
103.05460	2.1
105.07043	24.7
107.08591	19.4
109.06544	2.2
109.10159	15.7
111.11700	2.4
117.07015	9.6
119.08580	32.5
121.06500	7.0
121.10129	15.4
123.11721	5.1
128.06215	3.3
129.06995	7.3
130.07825	2.4
131.08591	21.3
133.06479	3.1
133.10132	17.7
135.08096	3.0
135.11659	8.1
137.13234	2.7
138.06410	1.9
139.68895	1.8
141.06998	3.9
142.07771	5.8
143.08551	14.5
145.02835	2.4
145.06482	3.4
145.10120	21.8
147.07962	2.1
147.11671	14.5
149.13229	3.5
155.08582	6.2
157.10089	11.9
159.08040	3.3
159.11688	19.6
161.06009	2.9
161.13257	4.8
166.07773	2.5
167.08522	2.8
168.09415	2.9
169.10117	9.0
171.08081	2.6
171.11687	9.2
173.09706	3.7
173.13255	12.4
175.11223	3.8
175.14813	8.7
179.08511	2.8
181.10161	8.5
183.11703	9.5
185.09720	2.8
185.13274	12.5
187.11130	2.8
187.14813	20.3
189.12715	3.7
189.16310	2.8
193.10199	4.3
195.11732	6.4
197.13268	7.7
199.11107	3.2
199.14885	4.0
201.16351	10.7
205.04918	4.3
205.10146	2.7
207.11678	3.6
209.13234	6.2
211.14772	6.6
213.16283	3.8
219.11639	3.0
221.13269	5.2
223.14821	4.0
225.16289	4.6
227.17744	3.4
229.16061	2.2
233.13206	3.5
235.14894	3.0
237.12695	3.4
237.16490	3.7
239.14281	2.3
241.15793	2.1
241.19640	3.2
249.16328	4.2
251.18086	2.4
257.15384	3.1
263.17926	3.0
277.19595	2.9
283.16837	3.2
309.18561	2.6
319.24173	4.3
333.25662	2.5
337.21582	3.2
347.20010	4.5
349.21634	3.3
375.19559	5.9
375.26727	13.4
393.20657	19.4
393.27856	100.0
394.28345	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	393.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01868	5.6
55.05516	10.7
55.05757	2.1
57.07079	2.7
59.98958	2.2
65.03917	3.2
67.05506	20.8
69.03413	8.5
69.07058	16.9
70.14569	9.0
71.04994	2.5
79.05495	19.6
81.02990	2.7
81.03422	32.2
81.07059	20.2
83.08602	8.2
85.06532	8.1
91.05471	23.5
91.44209	2.1
93.07047	25.9
95.01350	4.0
95.04972	36.6
95.08591	21.5
97.06541	5.2
97.10174	2.0
98.21445	2.6
103.05459	2.8
105.07036	30.7
107.04935	9.4
107.08585	21.4
109.06522	10.7
109.10173	10.9
115.05456	4.5
116.06213	2.9
117.07042	13.2
119.04967	2.5
119.07807	3.2
119.08580	33.9
121.06516	10.9
121.10162	24.4
123.08061	7.1
123.11703	9.0
128.06206	5.4
129.06998	12.0
130.25845	2.2
131.04935	13.3
131.08566	23.8
133.06448	7.5
133.10135	25.9
135.08041	9.2
135.11670	6.9
137.09627	3.7
141.06950	6.3
141.09172	2.6
142.07747	10.7
143.08546	26.5
145.06476	8.1
145.10130	27.4
147.08022	9.5
147.11676	11.6
149.09615	6.0
151.07506	2.4
153.07025	3.6
155.08560	13.7
156.09346	9.0
157.10123	32.1
159.08063	15.3
159.11691	22.9
161.06000	3.2
161.09602	20.5
161.13226	4.1
163.11151	4.5
165.06897	3.1
167.08574	7.2
168.09372	5.2
169.10143	22.7
170.10957	5.2
171.08044	8.2
171.11691	30.0
172.12318	2.9
173.09639	28.1
173.13237	11.8
175.11156	9.3
177.08961	2.3
178.07814	2.8
179.08572	5.4
179.10648	4.1
180.09399	4.3
181.10123	12.5
182.10834	6.2
183.08057	5.0
183.11700	23.3
185.09595	7.0
185.13280	18.2
187.11131	5.0
187.14761	6.0
189.09142	3.2
189.12712	3.5
191.10684	3.6
192.09256	3.9
193.10081	6.7
194.10878	3.4
195.07965	2.6
195.11722	15.8
196.12468	4.7
197.09610	5.1
197.13260	21.6
198.13939	2.4
199.11195	9.9
199.14830	6.4
201.12746	4.8
203.10690	2.6
204.09409	2.6
205.10208	2.6
205.12283	4.0
207.11650	9.2
208.12444	4.7
209.09694	3.9
209.13263	13.2
210.13962	3.5
211.11220	6.0
211.14844	18.6
213.12830	11.4
213.16457	4.3
215.10703	4.0
215.14236	2.8
217.10103	3.9
217.12201	5.4
219.11720	4.0
219.13759	4.0
221.13203	7.3
223.11172	6.3
223.14838	8.3
225.12703	5.9
225.16380	7.4
227.14262	6.8
229.12161	5.1
231.11678	3.3
231.13795	6.6
233.13222	5.4
233.15332	6.3
235.11208	5.6
235.14807	5.4
237.12715	7.1
237.16396	6.9
239.14462	4.2
239.17926	8.8
241.12268	2.9
241.15942	3.3
243.13882	4.4
245.13228	3.1
245.15454	2.9
247.11168	2.6
247.14867	3.7
249.12781	5.2
251.14424	4.8
251.18042	6.0
253.12250	4.0
253.15881	3.6
253.19521	3.9
255.13835	4.3
257.15317	3.7
263.14407	7.4
263.17773	3.3
265.12219	4.5
265.15729	7.3
265.19412	3.3
267.17389	3.3
269.15201	2.3
271.16940	8.4
277.15805	7.8
279.17413	10.7
289.15955	3.4
291.17422	10.7
293.14917	2.3
293.19025	2.8
299.19974	9.4
305.18951	3.5
307.17453	2.8
307.20520	12.0
308.17679	4.7
309.14825	2.7
309.18271	2.7
323.16171	5.1
323.19922	2.9
325.21606	6.5
333.22122	32.8
334.22662	2.2
347.23599	7.8
351.19565	5.0
365.24738	2.8
375.23096	9.7
375.27185	3.3
393.20447	8.5
393.24176	100.0
393.27969	9.4
394.24701	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	393.2061
Annotation	Striatin
Peak:m/z	Relative Intensity
53.03946	3.2
55.01872	7.9
55.05507	5.8
57.07066	3.4
65.03944	1.7
67.05505	7.2
69.03420	4.1
69.07069	7.1
71.07299	2.3
71.07649	1.0
71.93655	1.0
76.78020	1.2
76.87709	0.9
79.05497	19.5
81.03424	7.6
81.07059	9.4
83.04988	1.6
83.08617	2.2
91.05483	23.2
91.83337	1.1
92.63280	1.1
93.07044	13.7
95.01337	37.0
95.04971	20.5
95.08616	5.2
97.02879	1.6
103.05447	6.9
105.07034	63.3
106.07345	1.5
107.04950	3.8
107.08603	11.2
108.08891	1.1
109.02851	1.6
109.06505	6.0
109.10149	3.8
110.42562	1.1
115.05461	6.3
116.06240	2.0
117.07034	13.4
119.04941	2.5
119.08595	20.0
121.06509	6.0
121.10152	6.1
123.04424	1.9
123.08080	2.0
123.11700	3.3
128.06230	7.3
129.07031	14.6
130.07774	2.0
131.04947	3.5
131.08572	20.3
132.08951	1.2
133.06496	32.0
133.10156	9.4
135.04454	2.1
135.08047	6.1
135.11661	3.0
137.05946	2.1
141.07030	5.8
142.07819	6.1
143.05003	1.2
143.08571	21.0
144.09337	1.6
145.06482	18.3
145.10130	12.7
147.08038	9.5
147.11682	14.8
149.05997	3.3
149.09624	3.4
149.13225	1.1
151.07581	2.4
152.06165	1.7
153.07019	2.9
154.07768	1.8
155.06068	1.3
155.08578	6.6
156.09354	3.9
157.06479	4.4
157.10129	12.7
158.07219	1.5
159.08051	12.2
159.11697	8.7
161.05989	100.0
161.09583	5.1
161.13275	4.4
162.06401	1.8
163.07506	5.9
165.06985	3.4
166.07813	2.7
167.08540	5.3
168.09375	2.3
169.06483	3.6
169.10112	7.4
170.07263	1.5
170.10921	2.2
171.08072	8.4
171.11679	8.6
172.08862	1.9
173.06032	2.1
173.09636	5.5
173.13283	4.4
175.03853	1.2
175.07561	16.5
175.11153	3.1
176.04343	1.2
177.09091	2.9
178.07794	1.4
179.08575	4.4
181.10069	5.6
183.08054	4.1
183.11684	4.9
184.08801	1.2
185.06065	1.4
185.09627	8.2
185.13277	6.5
187.07552	14.1
187.11157	4.0
187.14809	1.3
189.09065	10.4
189.12807	1.6
191.08475	2.0
192.09283	1.9
193.10112	2.7
194.11017	1.2
195.08057	3.3
195.11705	4.4
196.08878	2.6
197.09619	2.6
197.13240	2.6
199.07501	2.1
199.11197	3.6
199.14969	1.7
201.09137	7.4
201.12762	3.4
203.10715	3.9
204.09337	1.8
205.10150	2.6
205.12233	2.8
207.11661	2.8
208.08945	1.5
209.09631	4.1
209.13297	2.7
211.07538	3.6
211.11209	3.1
213.09088	2.7
213.12779	3.9
215.08699	1.9
215.10637	8.8
216.09239	1.8
216.11240	1.6
217.10176	2.2
217.12173	2.1
219.11685	2.1
219.13704	1.5
221.09608	3.5
223.11241	2.9
223.14880	2.1
225.09105	4.8
225.12743	3.1
226.09825	1.3
227.10704	8.6
227.14305	2.3
228.11429	3.2
229.10262	2.0
229.12253	2.5
231.11780	2.1
231.13849	5.9
234.10522	1.5
235.11162	2.1
237.09125	2.2
237.12700	1.8
237.16307	1.6
238.10178	1.5
239.10724	2.1
239.14189	1.5
241.12259	1.4
243.14000	1.8
245.07884	1.4
245.15463	3.6
247.11186	3.2
249.09169	1.6
249.12779	3.3
250.09862	2.0
251.06718	1.3
251.10770	3.1
251.14378	1.5
252.11502	1.1
253.12476	1.4
259.11359	1.2
259.14902	1.5
261.12762	2.4
263.10684	2.1
263.14221	2.2
264.11453	2.3
265.12296	5.5
267.13992	1.7
269.15402	1.9
273.12808	3.0
275.14151	1.4
277.12289	4.8
279.13782	2.6
279.17188	1.1
287.14514	1.2
289.12323	1.6
291.13748	2.9
295.16940	1.4
297.11551	1.1
297.14978	1.3
305.15430	2.4
305.18900	1.6
307.16794	1.6
308.18118	1.2
309.11133	1.4
309.18579	1.4
310.11920	1.3
323.12524	1.5
329.19028	2.6
333.14954	1.8
333.18445	6.0
337.14243	3.0
347.20145	5.3
350.15182	2.6
357.18542	1.9
365.21005	5.0
375.19504	12.0
393.20605	91.4
394.20987	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	393.206
Annotation	Striatin
Peak:m/z	Relative Intensity
51.02380	0.9
52.13383	1.0
53.03940	2.6
55.01867	6.1
55.05517	5.2
57.07072	3.0
64.52389	0.8
65.03931	2.3
67.05515	7.8
68.17547	0.8
69.03425	4.3
69.07071	8.2
69.55437	5.6
71.04998	1.2
77.03923	1.0
79.05491	17.8
81.03420	9.1
81.07050	10.4
83.04955	1.4
83.08616	2.4
85.02947	1.1
91.05483	20.5
93.03397	0.8
93.07051	13.6
95.01334	40.9
95.04977	18.6
95.08597	4.7
97.02904	1.9
97.06528	1.0
97.10140	1.2
103.05485	6.5
105.04556	1.1
105.07033	60.3
106.07389	0.8
107.04980	4.0
107.08603	9.2
109.02882	1.6
109.06511	5.0
109.10147	3.1
115.05463	8.0
116.06245	1.6
117.07025	15.3
119.04932	1.6
119.08588	20.3
121.06500	5.8
121.10134	7.4
122.76595	0.9
123.04430	2.2
123.08080	2.7
123.11700	2.7
128.06218	7.8
129.07013	10.7
130.07779	2.1
131.04912	2.4
131.08572	21.7
133.06493	32.6
133.10141	9.0
135.04420	1.4
135.08063	6.9
135.11661	1.9
137.06003	1.8
141.06978	5.6
142.07773	7.2
143.04936	1.5
143.08572	19.5
144.05731	1.4
144.09328	1.6
145.06496	15.0
145.10129	12.8
147.04411	2.6
147.08061	9.9
147.11684	15.9
149.05992	3.4
149.09618	2.9
149.13284	1.2
151.07527	1.8
153.06984	2.7
154.07773	2.5
155.06026	1.3
155.08549	9.1
156.09377	4.3
157.06493	3.3
157.10141	12.7
158.07278	1.9
158.10838	0.9
159.08054	11.2
159.11716	7.9
161.05983	100.0
161.09576	7.0
161.13272	3.6
162.06383	2.4
163.07513	6.9
163.11235	1.2
165.07043	4.3
165.09142	0.9
166.07750	1.5
167.08597	6.2
168.09343	2.5
169.06490	3.4
169.10146	6.1
170.07330	1.1
170.10941	2.7
171.08060	8.4
171.11694	5.5
172.08849	1.6
173.05922	2.0
173.09651	4.1
173.13283	3.3
175.07556	19.1
175.11215	3.5
175.14807	0.9
177.09084	4.6
178.07770	1.9
179.08522	4.7
179.10739	1.3
180.09384	2.2
181.06485	1.4
181.10081	6.8
182.07304	1.1
182.10942	1.2
183.08089	3.2
183.11700	5.9
185.06012	1.2
185.09625	12.2
185.13243	8.0
187.07541	15.6
187.11197	3.5
189.09105	9.9
189.12721	2.3
190.07738	1.0
191.08612	2.0
191.10657	2.1
192.09412	2.0
193.10158	3.2
194.10933	1.1
195.08072	3.2
195.11674	4.5
196.08791	1.0
197.09656	4.5
197.13281	2.8
198.06725	1.0
198.10439	1.2
199.07521	2.7
199.11206	5.3
199.14856	3.9
201.09085	8.7
201.12741	2.7
202.07845	1.1
202.09618	1.3
203.08755	1.6
203.10687	3.5
203.14355	1.0
204.09344	1.7
205.10117	3.1
205.12109	1.8
206.10890	1.4
207.08118	1.9
207.11681	2.6
208.08769	1.1
209.09613	5.5
209.13235	3.2
210.10287	1.4
211.07628	4.1
211.11200	2.8
211.14685	1.1
212.08435	1.0
212.11757	1.1
213.09160	4.1
213.12766	3.9
214.09862	2.0
215.08714	1.6
215.10677	9.0
216.09457	1.1
217.10179	2.0
217.12082	1.5
218.10986	1.2
219.08180	1.3
219.11740	2.5
219.13853	2.2
220.08994	1.2
220.12662	1.0
221.09639	3.6
221.13203	2.2
222.10310	1.4
223.07520	1.0
223.11253	2.6
223.14793	2.1
225.09175	5.1
225.12746	1.8
227.10690	8.1
227.14326	2.6
228.11420	1.7
229.10191	1.7
229.12273	3.3
230.10872	1.8
231.08281	0.9
231.11667	2.3
231.13840	6.6
232.08896	1.6
232.12625	0.9
233.09624	2.4
233.13243	1.7
234.10503	1.6
235.07637	1.1
235.11101	4.1
235.14780	1.5
236.11937	1.0
237.09091	3.1
237.12711	2.3
237.16466	1.1
238.09628	0.9
239.10789	1.9
239.17844	1.3
241.12320	2.3
243.08415	1.0
243.11623	1.4
243.13829	1.1
244.12473	1.1
245.09729	1.2
245.13202	1.7
245.15410	4.4
246.10321	1.3
247.11134	2.1
247.14908	1.1
249.09111	1.9
249.12732	3.2
250.09860	1.3
251.06897	1.0
251.10713	3.3
251.14326	2.9
252.11420	2.0
253.12236	2.4
253.19508	1.0
256.12393	0.9
257.13315	1.3
259.11221	1.1
259.14877	1.3
261.12827	1.3
263.10693	2.8
263.14514	1.9
264.11362	2.5
265.09592	0.7
265.12244	5.0
265.15884	1.1
267.13882	1.3
269.15448	1.9
271.09525	1.4
272.11981	1.3
273.12781	3.1
275.14401	1.8
277.12320	4.6
277.15448	1.3
278.12997	1.1
279.13733	2.6
279.17322	1.4
281.15704	0.9
283.09869	1.1
289.15799	0.9
291.10495	0.9
291.13885	2.5
291.17319	1.0
293.15320	1.1
305.11990	1.0
305.15393	2.3
305.18839	1.4
307.16977	1.9
308.17896	1.5
309.11237	3.5
309.18420	2.9
310.12015	1.2
315.17389	1.2
319.13544	1.7
321.18747	1.0
323.12689	2.5
329.19003	1.5
333.14743	2.3
333.18552	6.4
334.19046	1.1
335.16483	2.7
337.14288	2.5
347.20090	7.5
349.17947	1.3
350.15012	2.2
351.15848	1.8
357.18521	1.8
365.13815	2.5
365.20993	4.3
375.19540	13.0
393.20599	98.9
394.21024	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	393.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01869	4.3
55.05498	2.2
56.54967	0.7
57.07069	0.7
65.03932	2.0
67.05505	8.9
69.03443	3.3
69.07073	3.4
69.56316	4.1
79.05489	7.1
81.03417	8.3
81.07052	5.3
83.04974	1.0
83.08607	1.6
85.02898	1.5
90.22077	0.5
91.05481	14.5
93.03393	0.8
93.07042	6.4
95.01331	32.5
95.04971	23.9
95.08629	3.2
96.01675	1.0
97.02874	1.5
97.06512	1.6
97.10168	0.7
98.21510	1.2
99.90565	0.5
103.05475	3.5
104.81181	0.7
105.07033	24.5
107.04948	2.5
107.08582	4.0
109.06514	4.0
109.10129	1.7
115.05460	3.9
116.06258	0.9
117.07017	8.0
119.05033	1.2
119.08590	18.5
121.06528	4.8
121.10119	2.2
123.04440	1.5
123.08044	0.8
128.06223	15.6
129.07014	11.4
130.07777	2.1
131.04915	1.5
131.08575	12.4
132.05740	1.1
133.05504	0.7
133.06493	11.7
133.10139	5.2
135.04388	0.7
135.08011	1.2
135.11668	0.9
137.05956	1.5
141.06958	5.2
142.07776	10.8
143.08560	80.7
144.09023	1.9
145.06480	5.4
145.10121	16.7
147.04420	0.8
147.08047	11.1
147.11707	5.7
149.05994	3.0
152.06204	0.7
152.59387	0.6
153.06981	1.9
154.07756	2.0
155.06029	1.2
155.08553	7.7
156.09349	3.2
157.06532	2.4
157.10129	19.7
158.07272	0.8
158.10818	0.8
159.04434	0.8
159.08055	8.5
159.11688	7.7
160.12398	0.7
161.05980	48.5
161.09573	3.5
161.13246	0.9
162.06364	2.2
163.07524	2.3
165.06949	4.2
166.07777	3.3
167.08565	5.5
168.09157	1.0
169.06470	1.8
169.07813	0.7
169.10121	8.4
170.07265	1.6
170.10924	3.3
171.08060	21.9
171.11700	6.5
172.08714	0.8
172.12335	0.7
173.05954	1.1
173.09607	2.4
173.13313	3.2
175.07547	34.5
175.11092	1.3
175.14920	1.3
176.07895	1.5
177.09048	0.8
178.07771	1.9
179.08534	6.3
180.09329	2.6
181.06537	1.4
181.10126	8.8
182.07217	0.8
182.10854	1.6
183.08072	4.8
183.11682	5.1
184.08722	1.1
184.12415	1.3
185.06015	0.8
185.09631	10.1
185.13266	9.1
187.07520	2.1
187.11203	1.3
187.14821	7.7
189.07268	1.1
189.09073	7.6
190.07753	1.5
191.08601	2.0
192.09332	2.3
193.10130	6.7
194.07262	1.0
194.10875	2.7
195.08029	3.5
195.11693	7.0
196.08902	1.4
196.12415	1.2
197.05933	0.7
197.09624	7.9
197.13293	3.2
198.13928	1.0
199.07655	1.3
199.11168	2.2
199.14803	4.8
201.09126	2.4
201.12825	1.6
202.07764	1.3
203.08554	2.5
203.10672	3.1
204.09305	2.4
205.04950	1.5
205.10150	3.9
206.07268	0.8
206.10883	2.2
207.08040	1.7
207.11711	4.6
208.08846	2.8
208.12419	1.2
209.09621	12.5
209.13148	4.4
210.10297	2.0
211.07614	1.6
211.11209	3.8
211.14864	1.9
212.08369	1.0
213.09100	2.0
213.12730	3.4
213.16365	3.0
215.08647	1.4
215.10623	1.1
216.09276	1.3
217.10088	3.0
217.12108	1.2
218.07376	0.8
218.10933	2.1
219.08069	1.8
219.11807	5.5
219.13753	1.5
220.08934	1.3
220.12512	1.6
221.09644	3.8
221.13182	4.1
222.10403	2.4
222.13980	1.5
223.11171	9.1
223.14705	3.1
224.11954	1.6
225.09106	5.0
225.12729	2.3
227.10657	4.8
227.14204	3.2
229.10149	2.3
230.10901	1.6
231.11676	3.3
231.13861	5.2
232.08867	2.6
232.12375	1.6
233.09610	7.4
233.13217	2.9
234.10390	1.5
235.07521	1.4
235.11183	5.2
235.14795	1.8
236.11955	2.3
236.15543	0.7
237.09085	1.8
237.12791	6.4
237.16278	2.9
238.09897	1.1
239.10667	4.1
239.14272	2.8
241.12271	1.4
241.15852	0.7
243.11650	1.3
243.13875	1.1
244.12450	1.3
245.09692	1.4
245.13129	1.2
245.15424	1.7
246.10413	1.8
246.13837	1.1
247.11157	7.0
247.14772	2.5
248.11902	3.2
249.09103	2.2
249.12737	4.3
249.16299	1.5
250.09880	2.8
250.13594	1.2
251.10670	5.6
251.14241	2.4
251.18063	1.5
252.11368	1.9
253.12238	4.4
257.09665	1.1
259.11295	3.0
259.14703	1.4
260.11945	1.9
261.09070	1.2
261.12756	3.5
261.16422	1.4
262.09821	0.8
262.13574	1.0
263.10605	3.3
263.14249	2.6
264.11545	2.9
264.15131	2.0
265.12256	11.2
265.15851	3.9
266.12955	1.7
268.18082	0.7
269.15372	2.1
271.11084	1.3
272.11938	2.3
273.12741	2.9
273.16251	0.6
274.13333	0.8
275.11041	1.2
275.14319	8.4
276.11493	1.1
276.14664	0.9
277.12213	3.0
277.15839	2.3
278.12979	1.3
279.13873	2.4
279.17450	9.6
283.16855	0.7
285.09073	0.8
286.13602	0.9
287.14285	4.3
288.14804	0.8
289.12302	1.6
289.15860	2.5
290.13376	0.8
290.16455	3.0
291.13779	7.1
291.17410	1.9
293.15350	12.9
295.16855	1.3
296.17789	1.0
299.16400	2.1
300.11450	1.4
301.12384	1.1
303.14029	0.9
303.17383	1.2
305.12057	1.2
305.15427	4.0
305.18582	1.0
306.16019	0.9
307.13342	1.1
307.16855	10.1
308.17682	30.5
309.18198	2.2
315.13885	4.3
317.11935	0.9
318.19257	0.9
319.13159	1.2
319.20544	1.7
323.12665	1.0
325.17944	1.2
329.19016	2.0
332.14078	0.9
333.14847	11.1
333.18436	1.7
334.15015	0.8
335.12747	1.4
335.16470	1.0
337.14478	0.9
347.20090	7.5
348.20334	1.0
349.21747	1.0
350.14923	3.6
351.15839	11.7
351.19498	0.8
357.18433	1.9
365.21152	2.5
375.19571	10.8
376.19955	0.8
393.20578	100.0
394.21091	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	393.2058
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
55.05506	1.4
55.22816	0.4
57.07060	1.3
64.09750	0.4
65.03934	2.1
67.05492	1.6
67.36723	0.3
69.07066	3.4
71.08633	1.0
71.52392	0.7
79.05486	0.9
81.03364	0.6
81.07041	2.3
81.28851	0.4
83.04956	0.5
83.08624	0.6
88.20108	0.3
91.05480	0.8
93.03397	1.5
93.07028	1.0
95.01324	0.9
95.04946	0.6
95.08594	2.4
98.98460	2.0
105.07033	1.6
107.08604	0.7
109.10165	0.8
111.04390	0.5
111.11708	0.4
112.99976	0.4
115.16518	0.4
117.07014	0.6
119.08574	0.9
121.02857	2.4
121.06485	1.4
121.10181	0.7
123.11724	0.6
131.01274	2.8
131.08592	0.7
131.81758	0.4
133.06491	0.6
133.10152	0.9
137.09720	0.4
143.08562	0.8
145.10147	0.8
147.04367	1.1
149.02332	33.6
150.02740	0.4
155.01044	4.2
157.10152	0.6
161.06001	0.5
163.03918	1.7
167.03398	100.0
167.22794	0.4
168.03766	1.4
169.10057	0.5
175.07536	0.4
185.13246	0.8
187.14804	0.6
191.06981	0.6
199.41577	0.5
204.01683	0.4
217.08591	0.6
219.11465	0.4
253.08820	0.4
269.08072	48.1
270.08328	1.7
273.14908	3.6
275.14160	0.4
283.09641	1.7
318.19989	0.5
325.14426	0.5
337.14166	0.6
393.20557	15.7
393.35449	0.9
394.20993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2059
Annotation	3,5-Dihydroxy-4-geranylstilbene-2-carboxylic acid
Peak:m/z	Relative Intensity
53.03939	3.3
55.01862	3.7
55.05506	7.9
57.07064	2.5
65.03938	1.5
67.05513	13.6
69.03422	3.5
69.07069	7.4
69.43447	9.9
79.05497	14.1
81.03413	14.6
81.07058	13.1
83.08613	3.0
91.05481	30.3
93.07035	17.8
95.01328	52.7
95.04364	2.2
95.04967	29.2
95.08604	17.0
98.98447	1.5
103.05454	5.5
105.07027	39.9
107.04961	6.6
107.08594	11.5
109.06515	4.8
109.10141	5.8
115.05448	6.3
116.06253	1.9
116.37661	1.4
117.07009	19.1
119.04922	3.4
119.08580	47.4
121.02851	4.3
121.06517	14.2
121.10146	7.7
123.04448	1.7
123.08107	1.4
123.11716	1.7
128.06230	6.2
129.07014	9.8
130.07811	3.2
131.04916	5.5
131.08569	32.5
133.06525	8.2
133.10121	13.6
135.04449	1.9
135.08075	2.4
141.06981	4.2
142.07776	7.0
143.08554	19.3
144.09364	2.7
145.02826	10.9
145.06500	11.0
145.10115	54.8
147.08031	4.9
147.11697	13.1
149.05949	4.0
149.13254	1.7
153.06967	1.9
154.07793	2.1
155.01051	1.7
155.08594	8.8
156.09293	3.6
157.06558	1.7
157.10100	17.5
158.10896	3.2
159.04434	2.4
159.08043	4.6
159.11719	21.4
161.05975	13.3
161.09555	1.7
161.13254	5.7
163.03940	1.7
165.06999	5.6
166.07788	3.9
167.08554	6.8
168.09303	2.0
169.06447	1.6
169.10106	9.4
170.10861	6.6
171.08061	6.6
171.11627	8.7
172.12453	4.0
173.05998	1.8
173.09642	2.0
173.13271	15.4
175.07571	5.0
175.11121	2.1
175.14821	3.1
176.09396	1.6
177.05511	3.1
178.07806	1.6
179.08539	5.5
180.09364	2.4
181.10115	16.2
182.10849	2.8
183.08099	3.2
183.11650	10.7
184.12129	1.7
185.05998	2.4
185.09650	4.0
185.13257	25.9
187.07472	3.0
187.14822	63.0
188.15326	3.8
189.05513	4.8
189.09113	2.1
189.16428	2.9
191.03400	8.9
192.09329	3.8
193.04988	5.0
193.10118	9.1
194.10916	2.7
195.08055	2.6
195.11624	8.7
197.09592	2.8
197.13223	5.5
199.14827	6.5
201.05437	8.9
201.09117	2.6
201.16377	14.0
203.06999	2.4
203.08676	1.9
204.09341	3.3
205.04982	18.1
205.10152	5.5
206.10902	3.6
207.06450	4.5
207.11748	7.9
208.12459	2.2
209.09679	3.0
209.13234	7.3
211.11212	2.2
211.14868	3.4
213.12857	2.7
213.16269	2.3
215.06987	2.2
217.10184	2.9
218.10915	2.7
219.06479	10.0
219.11703	4.4
220.12456	1.8
221.09860	1.6
221.13271	5.1
222.10336	1.3
222.13882	2.0
223.11189	3.6
223.14789	14.6
225.09094	2.8
225.12791	3.8
225.16385	4.0
227.10703	2.4
227.14275	1.5
229.10243	2.8
230.10968	2.1
231.11702	3.9
232.12450	2.4
233.09734	2.3
233.13232	5.2
235.11220	3.9
235.14865	3.0
237.09027	1.5
237.12675	2.2
237.16341	3.7
238.17229	2.0
239.18037	2.3
241.12216	1.5
241.15819	2.3
245.13295	3.3
246.10454	1.5
247.11136	3.3
247.14859	2.6
249.12790	3.6
249.16454	2.8
251.14287	4.3
251.17978	4.9
253.08618	3.8
259.11139	3.7
259.14664	2.1
261.12726	3.6
261.16492	3.3
263.10770	2.9
263.14386	3.2
263.17889	2.5
265.12155	2.3
265.15903	1.9
267.17288	2.4
271.11386	1.8
273.12817	3.7
275.10828	2.5
275.14316	3.0
276.15039	1.8
277.12292	5.2
277.15857	1.8
279.13889	2.7
279.17529	1.8
287.14319	2.8
289.15750	2.6
291.10309	1.9
291.13687	3.0
293.11819	3.2
293.15265	3.0
297.18555	3.2
301.19290	1.5
303.17474	7.0
303.20602	1.4
305.15305	4.2
305.19003	2.6
307.16977	2.6
311.12811	2.0
315.13870	3.2
317.19046	3.6
318.19730	10.5
319.13248	3.6
319.17017	3.1
319.20569	5.2
323.12991	1.9
325.18033	2.0
329.18970	4.2
331.16956	1.8
331.20486	3.1
333.14822	11.7
333.18240	2.4
337.14127	2.2
347.16235	1.8
347.20038	25.8
348.20557	2.0
349.21637	23.2
350.21884	2.7
351.15897	5.9
357.18433	6.3
375.19540	44.2
376.19730	3.7
393.20590	100.0
394.20825	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	393.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.5
53.57591	1.3
55.01857	3.0
55.05505	3.8
56.05028	1.5
57.03442	19.9
57.07076	14.2
59.04987	5.2
61.02922	1.6
63.28308	1.6
63.68293	1.3
65.03923	2.0
66.11357	1.2
66.42043	1.3
67.05509	22.5
67.12847	1.2
68.18636	1.2
68.99784	1.9
69.03431	58.5
69.07064	2.8
70.04597	1.3
70.06596	9.9
70.34278	2.9
70.34658	4.7
71.05003	14.4
72.08158	26.2
79.05489	1.5
81.03420	56.4
81.07051	2.2
82.03736	1.6
82.06583	1.4
83.04957	1.4
83.06100	5.6
83.24104	1.2
84.04494	6.2
84.08139	5.2
85.02908	43.2
85.06549	12.3
86.09725	7.6
87.00837	13.5
91.05437	1.9
93.07056	1.4
95.04975	31.5
95.08592	1.5
97.02893	19.3
97.06506	2.3
99.04448	22.8
99.08070	4.9
101.06016	6.4
103.07583	6.5
105.01876	2.4
105.07013	3.1
107.08605	1.6
108.08083	1.6
109.02884	38.4
111.04465	1.3
113.06002	8.5
117.10237	2.9
119.08559	1.5
120.08102	21.5
121.06506	1.9
125.02356	3.7
126.01083	3.4
127.01377	2.9
127.03922	100.0
127.07561	35.2
128.00793	2.7
129.10211	2.1
131.07039	8.9
137.05931	1.5
138.09146	2.6
143.07048	3.9
144.02118	3.0
145.04961	4.4
145.08598	9.7
146.01729	2.1
159.10173	2.1
166.08638	6.0
173.08107	25.1
181.08537	1.9
182.12860	5.0
183.11255	4.1
189.03902	1.7
193.08615	2.4
199.09706	2.0
201.03801	1.5
211.09424	2.5
213.03943	5.1
214.04822	1.5
214.08647	1.9
218.08093	2.0
228.13501	3.2
229.10715	5.5
231.05000	15.5
231.10046	2.8
232.05968	1.8
232.09659	4.1
233.16473	2.8
242.19493	1.3
253.10712	5.1
271.11761	2.3
297.09436	1.9
315.10452	2.1
331.13657	2.1
357.11829	5.7
375.12448	5.9
375.20255	2.5
383.57233	1.4
393.08987	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1177
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
53.03933	1.6
55.01866	2.7
55.05490	2.3
57.03419	1.9
61.02918	0.9
61.14096	0.5
65.03927	1.1
67.05488	2.6
68.99789	1.5
69.03432	5.9
69.07056	1.3
69.72515	0.6
70.06594	4.6
71.01311	0.8
71.04977	2.1
71.52096	0.6
72.08144	3.2
73.02911	1.2
73.63462	0.5
74.09891	0.6
77.03920	0.6
79.05489	2.3
81.03419	6.6
81.07055	3.3
83.04968	1.1
83.08587	0.6
84.04483	1.3
84.08136	3.6
84.44524	0.6
85.02905	7.1
85.06522	1.9
86.09705	7.3
87.00809	0.9
87.05579	1.1
91.05470	4.2
92.96832	0.6
93.03441	0.7
93.07024	2.3
95.04945	3.8
95.08593	1.7
96.08151	0.6
97.02904	3.6
97.06513	0.9
98.02422	0.7
99.04461	1.8
100.11216	0.8
103.05450	1.2
105.03387	13.0
105.07032	2.1
107.04958	1.6
107.08574	1.4
109.02871	5.6
109.06524	1.4
110.07137	0.8
110.09723	0.6
111.04435	1.5
111.08071	0.6
117.06982	1.2
119.04950	1.4
119.08565	1.2
120.08102	7.5
121.02845	4.0
121.06496	1.7
122.06023	0.9
123.04385	1.2
123.08067	0.7
125.06010	0.9
127.03922	5.2
127.11218	4.6
129.06966	0.7
129.09213	0.5
129.10187	0.8
130.04964	1.1
131.04933	1.7
131.08595	1.0
133.02856	0.7
133.06512	3.4
133.10135	1.5
135.04405	16.1
135.08040	1.1
136.07549	0.8
137.02318	0.8
137.05959	1.0
141.01785	0.7
141.10193	2.1
142.07735	0.7
143.08560	1.2
145.02815	0.8
145.04913	1.2
145.06500	0.7
145.10114	1.7
147.04370	3.7
147.08012	1.0
149.02280	0.9
149.05983	1.3
151.03877	2.2
153.01848	0.9
155.08646	0.6
155.11833	1.1
157.10155	1.3
159.04396	2.7
159.08127	1.0
159.11674	0.7
161.06001	1.5
163.03882	2.2
163.07526	0.7
165.01848	3.7
165.06860	0.8
166.08714	1.1
167.03401	1.2
169.04716	0.7
171.08037	1.2
173.05972	1.2
173.09598	1.1
175.03934	1.3
175.07529	0.7
175.11092	0.6
177.01836	5.6
177.05479	2.3
179.04999	0.6
179.63799	0.6
182.63525	0.6
183.02887	2.4
183.08046	0.7
183.11340	0.6
185.05975	0.8
185.09508	0.8
185.13211	0.7
187.03886	3.2
187.07487	1.0
187.11154	0.8
189.01831	3.6
189.05533	3.6
189.07536	1.0
189.09084	8.1
190.02568	2.5
190.04994	2.1
191.03400	4.3
195.02908	7.4
195.08041	1.4
200.13907	4.6
201.05501	1.3
201.09129	2.1
203.03372	2.4
203.10567	1.2
204.04111	1.0
205.04922	3.4
207.02872	1.8
208.03764	1.2
209.04370	1.1
210.41551	0.6
213.03825	0.8
213.09085	2.3
215.03366	2.5
217.05165	0.7
218.02068	0.8
219.02856	2.1
222.05569	0.6
225.09079	0.8
227.10645	2.2
228.13327	0.8
229.05045	0.7
229.12212	1.5
231.02885	3.7
231.06593	1.3
231.10161	12.7
232.09677	10.6
233.04457	6.6
233.30130	0.7
235.02451	0.7
241.09467	0.8
243.06461	4.2
249.03889	1.1
255.06509	7.1
255.10191	2.2
261.03928	2.4
261.11218	0.8
262.11954	1.1
265.08511	1.2
266.09399	0.7
267.06647	1.0
269.08240	1.2
269.11618	0.7
269.15460	0.8
273.07568	5.0
273.11142	1.6
279.06601	1.2
287.05545	1.7
287.14716	1.3
293.08109	5.2
294.08746	5.0
295.09518	1.1
297.07639	6.6
297.11185	1.3
297.14725	3.5
301.11047	0.8
304.07474	1.0
307.09555	6.3
308.06628	0.7
308.10178	1.2
309.07574	9.3
309.11151	2.5
310.07782	0.8
315.15775	1.7
319.09598	1.6
321.07541	14.4
321.14395	0.8
322.08353	14.8
323.08847	1.5
335.09113	6.7
336.09885	9.9
337.10626	5.9
339.08621	2.6
339.16016	2.5
347.09009	2.7
350.07727	5.5
351.08228	0.8
357.09683	1.3
357.16931	8.4
358.17029	0.8
364.09360	1.5
365.10178	35.1
365.93961	0.7
366.10458	2.5
375.08792	0.8
375.18942	2.3
391.59317	0.7
393.09659	100.0
394.10086	7.0
394.14789	1.2
419.82605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.6
53.78324	0.6
55.01851	1.6
55.05507	1.0
65.59830	0.8
67.05486	1.7
69.03445	4.9
69.07040	2.6
70.06583	1.6
71.04957	1.0
71.53345	1.1
72.08124	0.8
73.02891	0.8
79.05467	2.9
79.05882	0.7
81.03380	4.2
81.07048	3.5
83.04945	1.4
84.08096	0.8
85.02914	3.7
85.06499	1.3
86.09674	1.6
88.94006	0.6
89.05992	1.4
91.05456	2.5
93.07011	1.9
95.04945	1.6
95.08571	2.4
97.02889	3.5
97.03366	0.6
97.06506	2.1
99.04404	2.3
104.00485	0.6
105.03384	4.8
105.07018	3.3
107.08576	1.8
109.02879	5.8
109.06483	1.1
109.10114	1.0
119.08560	2.1
120.08084	1.6
121.06474	0.9
121.10108	1.9
127.03809	6.2
129.06926	1.4
131.08525	1.3
133.02841	0.8
133.06433	1.3
133.10124	1.4
135.04390	2.1
135.08026	1.2
137.05914	1.1
142.07738	0.9
143.08562	1.0
147.04364	2.3
147.08046	1.2
147.11707	1.6
151.03847	0.8
155.08507	1.0
157.10124	1.9
159.11649	1.0
161.09593	1.1
171.11662	1.1
173.09555	0.8
175.04030	0.7
187.03816	0.9
187.05856	0.7
187.07448	1.2
189.09087	6.6
195.08112	1.4
203.10680	0.7
203.12434	0.7
207.06706	1.0
213.09132	2.1
215.10658	0.9
218.12642	1.2
231.06511	1.0
231.10205	7.4
232.06058	1.9
236.13560	1.9
243.02870	2.2
247.05695	3.7
254.14774	2.0
289.06750	6.6
290.07172	0.8
297.07758	0.7
307.07870	100.0
308.08237	4.4
347.09323	0.9
375.14404	1.0
393.11545	86.6
394.11963	4.0
408.42300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17542	1.0
55.01866	6.2
55.05515	2.6
57.07062	1.3
57.52847	1.0
58.06604	8.5
64.37076	0.9
65.03929	1.3
67.05509	6.7
69.03423	2.0
69.07059	1.7
69.44467	4.7
69.44897	4.1
70.06590	2.4
72.14001	1.1
79.05452	1.9
81.03413	1.2
83.08615	1.3
84.08150	8.5
85.02905	1.4
85.06516	4.8
85.06959	1.1
91.05483	2.7
95.04968	1.9
95.08585	1.9
100.07614	1.4
105.07010	2.6
109.06556	1.1
109.10173	1.5
115.05466	1.4
117.07018	1.6
119.04974	1.3
119.08582	2.3
126.09158	2.5
135.04417	6.3
143.08548	2.6
144.10188	2.4
145.06586	1.2
145.07936	1.1
145.10146	2.7
147.04399	5.0
147.08037	3.0
149.02362	3.9
149.05960	1.5
150.02631	1.9
157.10101	2.3
159.04433	2.6
159.08162	1.1
159.11726	1.4
161.05965	1.7
161.09608	1.9
167.08598	2.0
171.04417	2.5
171.08064	4.5
172.08678	1.3
173.05988	1.5
173.09631	3.9
175.07594	1.4
177.05455	9.8
183.08044	1.4
185.09642	8.0
186.06761	3.5
187.07613	2.8
189.05449	4.6
189.09103	20.1
195.08014	3.0
198.06778	1.6
199.07680	1.5
199.10924	1.4
201.05455	2.1
201.09108	32.4
202.09500	1.6
203.10590	1.5
205.04968	1.7
207.10147	7.9
208.08890	2.5
209.09650	3.0
213.09097	29.0
213.11021	2.2
215.10736	2.6
219.10121	1.5
221.09846	1.2
222.10400	2.2
225.12703	2.0
227.10640	6.0
227.14290	10.5
231.10150	7.2
233.32742	1.2
237.12718	7.5
240.11453	9.7
241.11896	1.3
243.10178	13.2
245.11737	2.3
247.09679	5.4
249.11145	8.4
251.14262	1.6
255.10248	4.1
255.13809	100.0
256.14120	4.2
258.12549	3.4
261.11197	1.5
269.15311	6.2
273.12048	2.1
273.14902	24.7
287.16672	1.6
291.16107	1.6
297.14850	13.8
315.15915	86.2
316.16318	4.3
319.13290	3.0
329.11829	1.4
333.17047	5.2
334.14594	1.2
357.11462	2.3
374.19647	11.1
375.12442	2.0
392.20654	87.1
393.13141	3.9
393.20773	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	392.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.4
58.06597	0.2
60.04529	2.8
67.04252	0.5
67.05500	0.4
68.05045	0.3
69.03434	1.5
69.07059	0.3
70.06605	1.7
71.04972	0.4
71.52448	0.2
71.52807	0.3
72.08134	0.3
73.02927	0.3
74.06066	0.6
76.02226	0.4
81.03401	0.8
81.07023	0.3
82.06582	15.6
83.04985	0.6
83.06889	0.4
84.04514	0.8
84.08153	1.3
85.02901	2.7
85.06545	0.4
86.06086	0.3
86.09706	0.6
87.10050	0.3
90.94833	0.2
91.03867	0.2
91.05449	0.3
91.64931	0.2
96.08139	0.3
97.02881	0.9
99.04450	0.3
100.07610	4.1
105.03385	0.8
105.07016	0.4
107.04974	0.5
107.08632	0.3
109.02883	0.8
109.06532	0.3
110.07155	0.3
114.05588	0.3
120.08150	0.3
121.06545	0.2
124.07547	0.7
127.03920	1.1
128.07079	100.0
129.07433	1.4
129.91678	0.3
130.04999	0.3
137.06039	0.2
140.07050	0.4
142.08617	2.0
144.04803	0.4
144.06583	0.4
144.10223	0.3
149.02325	0.6
150.02689	0.3
153.05475	1.0
154.08542	0.3
159.07881	0.3
162.96989	0.2
168.06531	0.6
179.60039	0.2
185.41072	0.3
188.09204	3.7
195.06459	0.3
215.36128	0.3
225.45827	0.2
230.08145	6.1
230.10231	0.9
230.13863	0.8
231.08638	0.4
234.99004	0.3
245.09549	1.0
270.95416	0.3
296.11179	0.7
307.04962	0.4
314.12183	1.7
332.13397	10.0
338.19482	0.4
356.20715	0.9
374.21725	2.6
392.14243	0.6
392.19119	11.1
393.19324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01866	0.3
55.05499	0.9
56.05013	0.7
57.03419	0.2
57.19152	0.2
60.04502	0.8
60.34744	0.2
61.01146	0.5
64.36053	0.2
67.05472	0.4
68.05008	0.3
69.03443	1.2
70.06591	4.3
70.65498	0.4
70.65838	0.3
71.04966	0.2
71.08594	0.4
72.08123	0.7
73.02902	0.2
73.06516	0.2
74.00660	0.3
74.06067	0.3
76.02212	0.5
76.03984	0.2
79.05478	0.3
81.03387	0.9
82.06129	0.3
82.06580	4.0
82.15001	0.2
83.06103	0.2
84.04514	1.4
84.08144	1.3
85.02913	1.8
85.04014	0.3
85.06520	0.4
86.09705	1.7
91.05482	0.4
93.07008	0.3
95.04950	0.3
97.02888	1.0
98.06043	0.2
98.09677	0.3
98.20889	0.2
99.04430	0.4
102.05560	0.4
104.05314	0.9
104.49626	0.2
104.82037	0.2
105.01870	0.3
105.03391	0.3
105.07018	0.3
106.06515	0.4
107.07343	2.8
109.02858	1.0
116.07105	0.2
117.03689	0.5
120.08096	0.5
121.02861	0.3
124.07562	1.0
126.03734	0.3
126.09155	0.3
127.03883	0.9
128.07083	10.2
128.10704	0.4
129.10155	0.5
130.04974	0.8
131.04515	0.3
132.95750	0.2
135.04390	0.2
136.07547	0.3
137.05968	0.2
142.06856	0.5
142.08592	1.2
144.04758	0.9
144.10172	0.6
145.04935	0.3
147.04443	0.2
148.06036	0.3
151.98878	0.2
153.05461	0.7
160.07751	0.7
162.02188	0.3
168.06520	0.2
172.11516	0.8
177.03224	1.8
179.04762	0.2
184.07587	2.8
186.05557	0.3
187.05994	0.3
188.09169	1.3
194.11816	0.2
202.08684	0.2
205.07065	0.4
212.07060	16.1
213.07622	1.3
214.08592	0.6
217.13608	1.9
230.08122	100.0
231.08398	2.8
245.09496	1.3
245.13127	0.4
263.10571	0.2
307.04770	0.5
314.12189	0.3
332.13406	2.6
374.13742	0.3
374.21695	0.7
392.13403	52.3
393.13696	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	391.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01867	7.5
55.05500	4.0
57.03442	5.4
61.02932	4.2
65.31819	3.3
67.05486	4.4
68.99782	3.2
69.03432	29.3
70.06586	7.3
71.03642	6.9
71.04990	19.7
73.02909	6.9
73.06560	5.4
81.03416	24.2
83.04970	7.9
84.08124	3.9
85.02428	4.4
85.02904	46.6
85.06533	14.9
87.00829	24.3
91.03949	3.5
95.04971	13.0
97.02887	17.1
97.10152	12.8
99.04449	7.7
105.01854	10.8
106.39254	2.6
107.08588	35.5
109.02885	24.2
124.07580	9.6
125.07953	6.6
125.09621	59.4
127.03926	31.7
137.06000	3.2
143.10669	100.0
145.04942	10.8
159.02895	12.1
167.10698	11.6
209.11824	3.9
231.04926	3.9
332.26447	3.1
391.15277	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19402	2.7
53.03930	8.0
55.01856	7.5
55.05492	8.0
57.03425	4.6
57.07078	2.8
59.05007	2.3
61.02927	5.5
65.18695	2.3
67.05489	4.3
69.03432	29.5
69.80864	5.0
69.81297	11.5
70.06572	10.8
70.24037	2.3
71.04988	31.9
72.08147	4.5
73.02903	10.1
73.06554	5.1
79.05488	7.2
81.03411	29.2
81.07045	7.8
83.04974	11.7
83.08601	5.5
84.04464	4.5
84.08124	4.5
85.02906	54.5
85.06539	14.8
86.09689	11.2
87.00827	24.4
91.05473	5.0
93.07024	3.0
95.04968	15.7
96.08133	5.3
97.02895	18.9
97.06489	3.8
97.08441	2.7
97.10177	12.0
99.04447	13.6
103.03948	3.4
105.01868	14.0
105.07034	4.0
107.04949	5.1
107.08598	50.7
109.02878	27.6
117.01868	2.8
120.08114	5.8
123.08073	3.8
124.07600	18.6
125.08080	13.0
125.09624	100.0
127.03922	29.6
127.11177	2.9
137.05931	2.8
143.10670	94.8
143.11810	5.6
145.04944	14.6
149.02327	7.1
155.46426	2.7
159.02835	13.9
167.10652	15.0
189.03999	3.6
209.11740	4.7
231.04909	3.0
233.11798	3.5
244.91052	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	391.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75978	1.3
53.03936	2.5
55.01877	2.7
56.96572	7.2
57.03430	2.0
57.07063	2.4
57.23614	1.4
59.04978	1.7
60.04521	4.7
61.02925	2.4
69.03439	12.7
69.58344	1.5
69.84149	1.4
70.06588	13.6
71.04992	1.9
71.08630	2.6
71.51891	1.5
72.08146	7.3
73.02929	2.4
74.06063	2.6
79.05479	1.5
81.03428	10.8
82.06612	1.4
84.04506	5.2
84.08152	16.8
85.02918	19.0
85.06530	1.8
86.06033	1.4
86.09711	12.6
87.00848	6.6
87.10043	1.9
91.05486	1.8
95.05004	1.9
95.06120	1.7
97.02895	32.4
98.06063	1.7
98.97578	12.4
99.04456	2.4
102.05585	1.7
105.01870	3.2
105.03394	3.3
109.02884	6.1
110.07184	2.4
110.97559	2.1
111.04494	1.7
116.98619	5.4
117.01871	1.4
119.01939	2.4
119.04920	1.5
119.81348	1.6
121.02888	3.7
124.07609	2.4
125.02356	100.0
125.07071	1.8
125.07935	2.0
126.02609	2.5
127.03916	9.4
128.07072	1.8
128.98596	2.4
129.10248	4.9
131.00146	2.1
131.01894	1.4
134.99699	2.1
136.07536	1.4
142.04929	2.1
143.03406	92.9
145.04964	5.6
146.99664	3.1
147.04474	1.8
147.11362	2.1
149.02347	23.7
158.99643	3.2
159.02904	3.0
161.01204	1.6
161.02931	3.2
167.03329	3.3
170.99657	2.0
177.00711	2.8
187.02769	1.7
189.00662	1.6
201.12418	1.5
203.07651	2.6
211.10779	3.8
219.01842	1.7
229.11827	4.5
229.15436	1.7
230.08003	1.7
237.02826	7.1
321.08615	2.1
323.10168	3.2
331.08759	4.1
347.13565	1.9
391.12039	6.0
391.24844	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.4
57.07059	4.1
58.06601	9.7
65.03937	3.5
67.05503	15.3
69.07069	11.3
70.06590	4.9
70.09132	1.0
71.04981	2.2
71.09911	0.9
71.53503	1.7
79.05481	1.8
81.07069	1.1
83.08634	1.1
84.08145	11.3
85.06540	10.7
88.07623	2.3
88.40961	0.9
89.06039	0.9
91.05457	4.6
93.07074	1.3
95.04946	1.1
103.81707	1.1
105.03352	2.0
105.82433	1.0
109.10190	2.0
113.99155	0.9
115.05442	1.5
119.04898	1.4
121.10160	1.8
126.09186	1.7
131.04945	5.3
146.11743	2.4
147.04430	8.5
159.04411	7.3
161.06065	1.3
163.03888	6.6
173.05975	2.0
175.03903	100.0
176.04285	3.1
177.05466	11.0
185.09662	1.2
187.03891	31.8
187.07532	3.5
189.05464	9.8
199.03865	6.3
201.05493	4.8
201.09088	1.6
203.03354	5.7
203.07065	6.4
203.10695	1.0
213.05452	3.4
213.09003	1.8
214.06085	1.1
214.79988	1.0
215.07018	2.8
217.08594	2.9
226.06216	6.8
227.06967	2.8
228.07825	1.7
229.08594	28.8
231.10123	10.9
239.07016	1.4
241.08572	22.0
243.10176	20.9
245.08029	6.8
247.09645	56.3
253.08600	2.2
255.10228	2.6
259.09674	6.7
284.29385	2.2
295.13266	4.4
313.10953	1.7
313.14337	21.1
328.32053	7.3
331.15341	16.0
344.26077	1.1
354.02219	1.1
354.17047	9.8
372.18039	65.5
373.18210	4.8
390.19141	9.5
390.27066	1.4
390.35721	25.4
391.18896	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.2
57.07060	4.8
58.06604	9.0
60.08459	1.4
65.03912	2.0
67.05507	16.1
69.07072	14.7
70.06581	3.4
71.51913	2.1
72.12220	1.3
77.56747	1.4
81.07055	1.7
84.04462	1.9
84.08138	16.6
85.06538	10.5
91.05455	5.2
93.06992	1.5
95.08579	1.4
105.07024	5.6
109.10137	1.8
117.07043	1.7
119.04961	2.1
126.09148	2.4
128.83119	1.3
131.04941	4.5
131.08627	2.2
133.10146	14.0
142.07706	1.7
147.04395	7.7
153.15126	1.5
159.04446	8.1
163.03923	4.9
173.05986	2.2
175.03918	100.0
176.04327	2.2
177.05476	12.1
187.03915	29.4
187.07495	4.0
189.05472	10.7
199.03963	7.5
201.05502	4.6
203.03424	7.7
203.07056	4.2
203.10605	1.6
205.04968	1.7
213.05382	4.0
213.09097	1.8
215.07010	1.8
217.08592	3.0
219.12703	1.4
226.06290	8.5
227.06958	2.2
228.07954	3.1
229.08607	29.3
231.10165	9.9
239.07042	2.6
241.08601	21.7
243.10147	21.9
245.08057	5.9
247.07132	3.0
247.09686	62.1
253.08577	2.1
255.10072	2.0
259.09647	6.1
261.11078	1.5
265.10703	2.1
295.13342	6.9
313.14325	24.1
321.51892	1.4
328.31870	2.9
331.15408	16.8
345.61609	1.6
354.17047	10.4
372.18069	77.7
373.18301	2.3
390.18982	10.1
390.30594	1.4
390.35791	7.7
391.18750	1.5
412.06952	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27017	2.4
55.05494	6.2
57.07059	3.2
58.06585	8.2
65.03944	2.9
67.05506	11.4
69.07078	11.8
69.67330	8.7
69.67751	6.5
71.11120	2.0
79.50558	2.0
84.08158	10.6
85.06532	9.7
94.28041	2.2
94.39045	2.2
103.05438	2.3
114.13809	2.5
131.04927	4.7
147.04390	8.2
159.04399	7.4
163.03883	5.0
165.46211	2.1
175.03905	100.0
176.04347	2.4
177.05499	11.9
187.03876	29.9
187.07491	3.0
189.05426	11.3
199.03859	5.2
201.05450	5.3
203.03340	5.4
203.06985	6.7
213.05455	4.5
215.07039	3.1
217.08559	3.9
219.93816	2.0
221.78293	2.1
226.06215	7.1
229.08626	19.3
231.10173	9.0
241.08600	18.6
243.10208	16.1
245.08083	3.9
247.09666	48.0
259.09589	6.5
295.13202	4.1
313.14291	18.0
320.04224	2.7
322.36765	2.2
331.15372	12.7
354.16943	8.7
372.18045	59.7
373.18414	3.3
390.19098	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	390.191
Annotation	14-Hydroxyisostephodeline
Peak:m/z	Relative Intensity
54.14180	0.3
55.01872	0.5
55.05513	4.9
57.07075	2.5
58.06601	11.6
59.04999	6.0
65.03931	0.5
67.05506	3.1
69.07069	2.2
69.35742	0.5
70.06581	0.8
70.27699	0.7
70.28083	1.0
71.04992	1.4
72.08160	0.8
73.06554	0.7
78.45159	0.4
79.05495	0.9
81.03387	0.4
81.07069	1.0
83.01353	0.7
83.04974	0.5
84.08136	3.3
85.06537	3.4
91.05490	1.5
95.05066	0.5
95.08623	0.9
95.12621	0.4
98.21469	0.5
100.07576	1.9
103.05555	0.4
105.07029	1.0
107.08611	0.6
109.10150	0.5
111.11738	0.5
117.07028	0.6
119.04960	0.7
121.10155	1.1
128.06206	0.7
129.07050	0.6
131.04921	2.9
133.06503	0.8
141.07033	0.4
143.04951	0.6
143.08566	0.8
145.06503	0.7
147.04401	5.3
157.06529	0.5
159.04413	7.4
161.06015	1.5
163.03944	1.6
171.04393	0.5
173.05986	1.4
175.03906	48.4
176.04483	1.2
177.05481	12.5
183.08109	0.6
185.05998	0.6
185.09567	0.5
187.03903	22.8
187.07545	1.8
188.04404	0.5
189.05470	11.1
191.03429	0.8
199.03879	6.6
199.07599	1.7
200.04581	0.5
201.05478	4.0
201.09166	1.0
203.03374	3.3
203.07011	1.4
203.10667	1.0
211.07594	0.6
212.04738	1.4
213.05479	5.1
213.09103	0.9
214.06075	0.4
215.03542	0.4
215.07028	2.6
217.05005	1.8
217.08658	0.8
227.07068	4.3
228.07950	0.5
229.08597	12.7
231.10173	13.2
239.07025	1.4
241.08607	9.8
243.10149	12.9
243.12573	0.7
245.08073	10.2
246.11304	1.3
247.09674	7.7
253.08592	1.5
255.10056	0.6
257.08191	1.0
259.09631	5.4
273.11453	0.6
275.09134	4.9
291.12296	1.0
295.13251	2.2
313.14328	13.0
330.16968	9.6
331.15366	17.3
332.15665	0.9
348.18042	23.9
362.36105	0.5
364.64789	0.4
372.03680	0.9
372.18134	0.7
390.19098	100.0
391.19363	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	390.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.05506	0.6
68.05022	0.3
69.03432	0.5
69.07025	0.3
71.66939	0.2
73.05506	0.2
79.05070	0.4
79.05494	4.2
80.05012	1.5
81.03410	0.6
81.05798	4.7
81.06633	0.3
81.07051	2.8
82.06587	0.4
85.02888	0.6
87.00840	0.4
94.06582	1.1
96.08130	16.7
97.06516	0.3
101.78190	0.2
106.06564	2.7
107.04973	0.7
109.02879	0.5
121.58738	0.2
124.07587	100.0
124.33883	0.3
125.05993	0.9
125.07964	1.5
127.03935	0.3
142.08635	0.8
192.40262	0.2
227.76129	0.2
281.65158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94548	0.9
53.03936	1.8
53.36217	1.0
55.01862	4.6
55.05503	3.2
65.03922	2.5
67.05482	3.2
69.03418	1.9
69.07061	2.8
70.06589	2.8
70.46840	2.4
70.47208	2.3
71.04998	2.2
72.08129	1.4
79.05485	3.7
81.03429	2.4
81.07045	4.8
83.04984	7.4
84.08121	2.5
85.02888	2.2
86.09689	1.3
91.05466	6.2
92.05007	1.8
93.07035	3.9
95.04955	4.1
95.08593	4.6
97.02922	1.8
97.06561	1.4
97.10165	1.5
98.20879	1.2
103.05444	3.2
105.03397	2.6
105.07025	4.1
106.06550	4.4
107.04971	2.4
107.08601	3.5
109.02866	1.1
109.06521	2.5
109.10143	3.6
115.05473	2.2
116.05003	1.1
117.04771	1.0
117.06999	3.1
119.04958	1.3
119.08556	3.2
120.04478	10.1
121.06466	1.4
121.10118	2.5
123.04449	1.2
123.08080	1.9
123.11730	1.5
125.05987	1.9
128.06210	1.4
129.07001	3.5
130.06549	2.9
131.04903	4.4
131.08595	3.2
132.04489	1.4
133.10159	2.7
134.06013	25.5
135.08086	1.6
135.11618	1.6
137.05992	11.3
137.09622	1.3
138.06340	3.5
141.07025	1.2
142.06494	2.2
144.08116	2.1
145.06441	2.6
145.10110	3.1
146.05992	4.5
147.08051	2.3
147.11623	1.6
149.06018	2.6
149.09653	1.5
151.11050	1.4
157.06470	2.0
157.10173	1.5
158.05995	1.9
159.11684	1.9
162.05568	4.2
163.07646	1.7
165.06865	1.4
167.07109	10.2
168.08104	6.7
170.06015	13.1
171.06586	1.9
171.07982	1.3
171.11731	1.7
172.07608	1.9
173.05959	1.3
175.03917	5.0
175.07529	2.6
176.07089	3.3
177.05518	5.7
180.08044	2.6
181.04964	15.7
182.09573	1.4
184.07521	2.1
186.05463	1.3
186.09186	1.3
188.07066	2.6
189.09082	1.6
195.06676	1.4
196.07564	17.1
197.08304	2.3
198.05478	5.1
199.11111	1.3
200.10732	1.4
207.06604	1.4
208.07535	2.1
209.08101	8.2
210.09125	10.8
212.07005	2.1
214.08641	2.4
217.08588	1.9
219.10254	1.6
220.07544	1.5
224.10670	1.2
226.08475	5.5
228.10217	2.1
235.09860	1.1
236.06879	2.0
238.08623	8.3
240.10229	3.4
241.08727	1.7
244.06052	73.2
245.06404	4.1
248.93217	1.4
250.14395	2.6
252.10199	3.9
254.08292	2.6
256.09656	7.3
261.10272	10.7
282.07590	3.7
282.11444	1.6
283.98093	1.4
286.88199	1.2
289.09726	13.6
291.11243	2.0
301.09729	24.5
309.10684	2.3
310.11011	2.4
313.09683	1.4
314.10284	4.5
317.09299	5.3
319.10806	17.1
320.11093	1.7
325.13477	5.6
327.11261	5.3
329.09286	7.7
329.12531	1.9
331.10724	12.1
337.09497	2.0
338.10464	16.8
339.11786	3.1
343.14499	7.9
347.06982	1.9
352.12021	1.6
353.12894	20.4
355.10693	1.3
356.11511	2.2
359.14145	2.0
361.15521	2.8
371.13922	73.7
372.14139	3.9
372.18372	1.3
389.08008	3.3
389.14996	100.0
390.15280	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	Sedumoside H
Peak:m/z	Relative Intensity
53.03933	3.8
55.01865	3.6
55.05505	12.7
57.03439	5.7
60.04521	2.6
61.02924	3.7
67.05505	8.0
69.03411	12.4
69.07062	11.0
70.06590	15.4
70.64995	7.9
71.04994	7.7
72.08140	7.6
79.05490	9.2
81.03404	8.8
81.07059	14.8
83.04957	4.9
83.08633	6.7
83.20641	2.5
84.08132	8.5
85.02913	16.7
85.06558	4.5
86.03217	3.2
86.09701	47.7
91.05475	9.5
93.07038	18.7
95.08588	23.3
97.02886	7.4
97.06518	9.6
97.10144	3.8
99.04453	4.0
99.08087	3.8
101.06026	4.0
105.07044	9.2
107.05027	4.0
107.08598	23.9
109.02881	10.8
109.06519	5.6
109.10148	14.2
112.07641	3.2
117.07032	3.6
119.08568	6.2
120.08101	7.3
121.06496	5.7
121.10156	28.6
123.08103	6.1
123.11683	10.1
125.05993	3.5
125.09654	4.5
127.03906	9.1
127.11196	26.5
129.10245	3.8
131.08577	9.0
133.10127	27.7
135.08066	8.8
135.11690	8.4
136.07581	4.6
137.09634	11.9
137.13242	8.6
145.10165	3.4
147.04337	3.4
147.11688	7.6
149.09621	60.1
149.13268	18.1
151.11191	11.1
158.10893	4.3
161.39740	3.1
163.11172	3.0
163.14778	14.6
165.12750	4.0
167.07056	7.1
167.14157	3.2
173.13211	26.3
175.07634	3.4
191.14305	46.3
199.08749	4.2
205.08722	3.1
209.15378	50.2
223.08662	5.7
227.16417	100.0
228.16728	5.1
237.10246	12.5
241.09850	6.5
251.08084	10.3
255.11388	4.2
263.07016	3.3
265.09830	17.1
266.10626	4.8
269.09177	18.3
279.07626	13.3
283.10870	8.5
293.09146	24.9
297.08777	25.3
311.10287	8.4
313.11932	3.1
315.09695	5.7
321.05023	3.2
321.08679	14.3
325.11862	8.1
329.11438	7.2
339.09650	25.0
343.12732	8.5
343.32489	2.9
357.10825	14.2
371.12106	17.5
389.13400	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62840	3.2
55.01849	3.9
55.12984	3.6
56.02583	3.7
56.05027	7.0
56.96562	29.7
57.03429	6.6
59.30647	3.5
67.05489	3.8
69.03420	11.3
70.06601	24.6
70.32468	15.6
71.04972	6.6
72.08148	14.3
73.02905	15.0
81.03410	8.7
83.06116	6.1
84.04503	43.6
84.08148	33.2
84.96051	10.1
85.02905	24.7
86.09703	47.1
91.05507	5.6
93.03555	4.1
97.02885	15.9
98.97585	46.0
101.00921	4.8
102.05579	8.1
105.03384	27.7
110.97623	6.2
112.05109	3.6
112.99173	5.6
115.08739	5.9
116.98650	26.8
119.01916	8.9
119.04924	11.2
123.04456	3.8
124.07603	8.6
127.03873	8.4
128.98584	14.0
129.06548	4.9
129.10240	12.3
130.05028	6.4
130.06549	4.8
130.08635	7.0
131.00179	8.1
131.01877	3.9
132.04414	6.6
132.10170	7.7
134.99634	12.5
143.00146	9.6
143.01862	4.9
145.01712	4.4
145.02771	5.0
146.99556	9.4
147.04401	9.4
147.07651	6.6
147.11298	4.9
148.06021	3.6
152.98595	4.6
157.07538	6.0
157.09789	4.6
158.99658	13.0
161.01381	4.0
161.02983	13.0
173.01189	9.6
175.04166	5.9
175.11960	9.1
177.00787	19.7
177.05508	9.8
187.02785	5.4
187.04456	7.7
189.00648	6.6
191.02237	10.4
197.12866	7.1
201.00700	11.3
201.04369	4.6
205.00119	4.3
205.03946	5.0
207.06570	5.9
219.01822	20.6
223.04900	7.3
237.02864	17.6
240.09789	7.5
243.13411	4.1
257.15106	4.7
258.10715	4.7
261.02664	5.3
264.50128	4.4
272.52780	4.3
274.18298	4.9
279.03741	5.0
303.07309	9.6
321.08539	26.4
345.09094	5.5
345.14627	8.6
381.66977	4.2
389.08502	100.0
389.14072	21.1
389.24759	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86014	0.8
59.54627	0.7
61.53231	0.7
65.97371	0.7
67.05497	1.3
70.27988	3.6
71.24245	0.8
81.69245	0.7
87.41104	1.0
93.07068	0.9
94.06556	1.8
95.08591	1.4
107.08626	1.4
109.10139	0.9
120.04472	0.9
146.09616	0.8
165.68240	1.0
174.09135	1.3
175.03859	2.3
198.12804	2.4
268.07376	1.3
269.07831	12.7
313.16910	1.2
350.12509	1.9
350.62991	1.1
353.13593	100.0
354.13791	3.9
371.13269	0.9
371.21185	3.1
389.11221	42.7
389.22147	9.2
390.11728	1.9
407.11057	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26949	1.3
53.42041	1.2
53.89788	1.2
55.05480	1.7
60.94892	1.5
60.96057	1.2
67.05482	1.8
69.03438	2.5
69.07064	1.7
70.06587	13.8
70.13827	3.3
70.14217	2.5
72.08162	2.3
79.05495	2.9
81.03402	3.0
81.07042	3.7
82.26228	1.3
83.04958	1.6
84.04501	1.8
84.08147	3.0
85.02899	4.0
86.06046	1.5
86.09682	4.1
91.05454	3.7
93.07037	1.9
95.04951	2.9
95.08592	2.3
105.03387	19.7
105.07036	20.1
107.04921	1.4
107.41284	1.6
109.02862	1.7
116.10742	2.0
119.08522	1.5
120.04490	1.3
121.02140	1.4
121.02851	9.3
127.03916	2.6
134.05984	1.9
136.07565	4.4
137.05974	2.4
137.07880	1.6
138.06276	1.3
140.04918	3.8
142.06494	1.6
147.08031	1.7
155.06039	21.5
162.09102	15.1
167.05980	7.7
167.07245	1.6
168.06842	4.9
169.07616	47.5
170.05962	3.7
172.03903	1.8
178.08611	6.0
179.06001	14.7
181.07610	3.5
182.05968	1.6
183.05559	20.7
184.07675	1.7
185.07111	12.6
192.06807	1.5
193.07610	18.1
194.06082	2.8
195.05551	29.4
196.06288	18.6
197.07127	30.0
198.03943	1.6
198.05513	8.9
198.07356	2.2
204.06699	2.3
207.05444	10.8
208.06441	3.2
209.07057	5.2
210.07802	2.7
211.05061	3.1
211.08627	5.3
213.06560	27.6
214.07068	1.6
221.07086	28.7
221.09186	1.6
222.07550	1.6
223.05026	1.7
225.06590	58.4
227.08258	1.7
229.06133	23.2
237.06577	4.9
238.07335	5.4
239.04500	3.2
239.08130	26.9
241.06129	3.1
243.07631	7.9
249.06621	9.6
250.19084	2.7
253.06049	10.0
255.07616	3.7
257.05673	6.4
265.06036	4.4
267.07635	19.6
269.05579	3.8
271.07141	37.5
277.06104	14.2
285.08710	38.1
295.07138	37.5
295.10413	2.4
296.07193	2.8
313.08163	44.1
314.08542	3.1
324.09766	4.6
328.09274	66.5
329.09552	4.0
331.09210	5.8
342.10849	2.0
352.09274	2.1
370.05624	3.3
370.10315	65.0
370.21277	2.0
371.10544	2.6
388.11374	100.0
388.22318	11.7
389.11722	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	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01872	8.0
57.03431	5.0
61.02926	5.7
68.99783	2.4
69.03428	32.0
70.06573	2.6
70.45518	1.3
71.01335	0.8
71.04990	4.1
73.02909	7.1
79.05518	0.8
81.03419	21.7
83.01360	1.4
85.02904	100.0
86.06079	1.2
87.00826	38.8
91.03960	2.0
91.05523	0.9
97.02893	29.9
99.04453	13.1
103.05440	0.8
105.01863	69.0
105.07023	10.3
108.04466	3.6
109.02878	25.7
115.03941	1.7
117.01865	2.3
126.05534	1.4
127.03913	76.6
128.04248	1.5
129.01854	3.0
137.06024	1.7
145.04955	37.0
147.02885	2.5
148.79442	0.7
159.02896	15.3
167.07176	1.0
171.02911	0.9
177.03990	1.2
189.03934	3.8
213.03984	3.2
213.09178	1.6
230.06371	0.8
231.05002	23.0
231.10088	1.4
236.05446	0.8
248.07698	2.0
249.06042	7.4
335.11346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.9
56.05030	3.7
56.96566	50.2
57.03421	4.7
58.06594	4.2
60.95836	3.2
61.02925	6.2
65.03944	2.1
67.05492	3.9
69.03435	17.4
69.07054	2.4
70.06590	33.4
71.04974	6.5
71.06920	2.9
72.08174	13.9
73.02917	6.1
81.03411	9.0
81.07060	5.5
83.06099	6.6
84.04508	19.2
84.08142	38.8
84.96024	15.1
85.02908	36.3
86.09711	23.8
87.04478	3.2
87.05627	3.8
90.05550	2.7
91.05470	10.1
95.04961	4.5
97.02882	17.9
98.97582	80.3
99.04417	5.5
101.07122	4.2
102.97014	2.6
105.03383	17.1
107.04978	3.3
109.02847	5.6
110.06031	2.2
110.07124	4.3
110.97586	10.4
112.08762	2.9
112.99110	3.9
116.07071	6.2
116.98621	62.1
117.03361	3.4
119.01895	9.6
119.04926	5.7
122.06054	4.8
123.04402	2.6
124.03953	4.4
124.07571	2.7
124.99181	2.5
127.03912	10.3
128.08188	3.2
128.98586	18.2
129.06612	6.4
129.10225	25.3
130.04997	2.7
130.08633	5.1
131.00156	11.0
131.01819	3.7
132.10208	2.4
134.99655	36.3
138.05496	2.8
140.00180	4.3
140.03452	6.6
140.07040	7.6
140.98569	3.1
141.06662	2.6
143.00130	12.3
143.01915	3.8
144.10147	6.9
144.98056	3.2
145.02805	4.7
145.04976	5.6
146.01234	3.4
146.99644	16.5
147.04398	25.2
147.07635	5.1
147.11269	3.9
149.01189	8.5
149.06001	3.6
152.98596	5.1
153.00682	2.7
154.01807	3.1
154.04997	4.9
158.01181	3.6
158.99658	17.3
159.03278	3.8
161.01215	17.5
161.02971	4.7
162.99208	4.4
165.00638	3.6
167.06963	3.7
170.99693	15.0
172.02785	6.2
172.94302	3.3
173.01305	5.3
173.03004	5.5
177.00716	25.0
177.04161	4.7
177.05518	10.2
179.02238	4.0
185.01244	2.9
185.03006	3.9
187.02701	3.5
188.02214	2.7
189.00748	9.7
190.03896	10.0
190.95468	4.2
191.02261	5.9
191.03944	3.4
193.05156	3.1
195.01685	3.3
197.12918	2.6
198.04465	3.6
199.01534	3.0
200.05948	13.8
201.00783	7.5
201.04362	6.4
202.09332	2.9
203.02280	2.9
205.00237	3.9
207.01678	2.4
207.06551	3.4
208.04921	9.0
211.02895	2.7
212.02260	3.0
214.03877	24.3
218.07040	15.9
219.01759	30.1
219.05365	6.8
221.05081	4.6
222.05057	5.3
223.04939	3.7
226.03560	3.0
230.03400	7.6
232.04977	20.0
232.96518	6.2
237.02811	38.6
240.09885	3.6
242.07094	3.5
242.14911	3.2
242.18694	3.0
244.96475	3.6
248.04309	2.8
248.95940	3.9
255.03824	4.1
255.06461	2.7
260.04297	3.2
261.02856	4.0
261.06470	8.3
276.03741	3.0
279.04486	5.5
279.07504	100.0
280.08105	2.4
287.05414	9.5
297.08572	21.4
301.11285	3.3
302.09109	9.4
302.12009	3.8
303.07474	11.1
308.07062	2.8
321.08524	40.8
322.95880	4.3
344.09802	5.2
344.13522	8.9
345.14172	2.9
347.06494	9.8
364.97043	2.9
365.07489	10.9
370.20560	5.1
388.08621	12.3
388.13358	34.5
388.22433	4.0
389.08228	16.5
406.09995	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	387.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.8
55.01862	14.8
55.05504	22.7
57.03422	10.9
61.02926	4.0
63.97243	3.7
65.03948	5.4
66.70992	3.5
67.00224	3.6
67.05503	43.2
68.99810	3.9
69.03419	16.4
69.07072	29.8
70.06594	26.4
70.38717	14.2
71.04982	15.9
72.08146	9.6
73.02903	4.3
79.05493	58.6
81.03403	18.0
81.07056	100.0
83.04980	20.4
84.08147	12.5
85.02913	30.4
85.06548	13.3
86.09711	13.7
87.00823	11.0
90.96154	3.6
91.03923	4.2
91.05477	53.4
93.07045	50.4
95.04979	16.6
95.08614	33.6
97.02897	8.6
97.06532	17.3
98.97552	4.1
99.04469	14.8
99.08085	58.2
102.13258	4.0
105.01871	8.4
105.03430	4.1
105.07027	45.0
107.04925	11.2
107.08582	29.6
109.02883	15.0
109.06509	6.1
109.10145	12.6
111.04415	5.4
111.08072	5.9
113.06044	4.8
116.53892	3.8
117.07001	22.8
119.04941	6.1
119.08580	39.1
120.08142	5.9
121.02914	5.0
121.10143	45.7
123.08085	6.5
125.09576	12.2
127.03901	13.6
129.06995	5.2
129.10223	4.4
131.08554	35.2
133.06499	9.9
133.10153	29.1
135.08043	16.8
135.11691	33.9
136.07549	6.0
137.05986	23.3
137.09630	10.1
139.03882	4.1
143.08559	9.6
145.04990	8.7
145.10110	33.4
147.04437	7.5
147.08067	6.8
147.11693	15.8
149.09618	17.3
151.03915	4.5
151.07549	5.1
151.11176	9.0
152.01746	3.8
154.20787	4.0
159.11676	13.9
161.09644	10.9
161.13252	11.2
163.11169	8.0
165.09096	10.4
167.05807	4.1
167.07037	21.3
167.10703	7.4
171.11682	7.2
173.09648	7.2
173.13173	5.4
177.05322	4.8
177.09109	4.6
179.10692	4.3
181.05011	6.1
181.12173	5.6
189.09096	8.5
189.12766	6.3
191.10603	5.6
201.16391	32.5
207.06564	18.0
207.13855	7.8
211.14732	7.0
219.17426	14.4
229.15872	13.7
235.77139	4.6
237.18501	19.6
247.16930	18.0
265.18063	5.6
283.19052	5.2
351.18039	32.6
369.15402	4.1
369.19220	38.3
387.14969	9.3
388.23441	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	387.2012
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
53.03934	5.4
53.99598	1.7
55.01859	2.9
55.05510	5.7
57.03430	4.0
57.07060	2.7
61.02920	2.1
67.05502	9.4
69.03431	29.7
69.07065	4.4
69.58465	3.1
69.58870	7.6
70.06591	9.8
70.47923	1.1
71.04994	6.6
72.08161	9.0
73.02910	2.5
74.06082	1.2
79.05504	5.4
79.81801	1.3
81.03414	11.2
81.07052	22.4
83.01316	1.4
83.04974	3.8
84.04484	3.2
84.08129	6.7
85.02906	100.0
85.06544	1.8
86.03260	1.5
86.09707	12.9
87.04474	3.2
91.05494	10.3
93.07034	8.7
95.04971	6.1
95.08609	12.3
96.08132	1.7
97.02906	13.4
97.06531	3.9
99.04465	11.8
99.08096	1.7
103.05403	1.3
105.03400	2.3
105.07024	13.9
107.04968	3.2
107.08603	7.6
109.02907	9.0
109.06516	5.1
109.10157	32.2
110.07185	3.3
111.04438	4.5
116.07088	1.7
119.04927	5.4
119.08591	15.0
120.08115	2.7
121.02863	1.4
121.06520	3.3
121.10140	11.3
123.04457	1.9
123.08086	4.1
123.11707	87.8
124.12059	2.8
125.05988	20.9
127.03925	20.9
129.10303	1.5
129.40553	1.1
131.08542	6.2
133.06451	2.5
133.10129	1.8
133.44237	1.3
135.04390	1.7
135.08057	2.2
135.11758	1.8
136.07567	2.5
137.05975	2.2
137.07916	1.2
137.09601	1.9
139.03883	1.3
139.07558	3.3
140.45685	1.5
142.78456	1.5
144.06566	2.9
145.04941	5.0
145.10129	5.9
147.04396	4.8
147.08078	4.6
147.11707	16.3
149.09589	13.0
151.07561	11.3
153.05484	10.0
154.58173	1.4
156.09360	4.4
157.13399	1.3
159.08105	2.5
159.11685	2.9
161.09372	4.0
161.13242	3.0
165.09114	3.7
165.12791	3.2
167.07036	5.3
167.10748	4.1
171.11696	3.0
174.10300	1.8
175.03876	6.7
177.05457	2.1
185.16557	1.9
189.12764	21.1
207.06499	15.0
207.13805	81.1
208.14153	2.8
225.14871	38.7
249.14885	2.0
251.09193	2.5
273.14813	2.5
274.15158	2.4
277.10815	1.4
298.15341	1.4
302.15173	1.3
315.16025	3.4
316.16266	5.9
326.22717	1.4
333.16937	24.8
334.17285	2.9
343.13669	4.4
351.18002	39.3
351.22192	2.7
351.86621	1.4
352.18375	4.3
369.19135	14.9
387.12820	6.3
387.20154	21.2
387.27505	2.7
405.78345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17686	0.9
67.76913	0.7
69.03420	2.3
70.02939	2.0
70.06567	1.2
70.58375	2.0
70.58730	1.7
72.31984	0.8
74.02435	17.2
81.03416	1.3
84.04482	1.7
84.08147	1.2
85.02915	5.4
88.03964	4.1
92.04997	2.4
97.02876	2.2
108.04476	1.3
109.02888	0.9
110.06040	100.0
111.06396	0.9
116.03451	3.0
124.14930	0.9
127.03924	1.0
130.25298	0.7
134.05983	6.0
136.03915	1.4
138.09105	0.9
147.04462	1.1
150.05505	1.0
152.07115	0.9
161.07101	6.7
162.05394	1.0
167.06970	1.0
175.03883	1.9
178.04909	1.3
179.08147	9.5
190.04988	2.8
190.57141	0.7
194.04424	0.9
206.04489	1.6
207.07718	12.8
222.49236	0.8
223.04208	1.2
225.08701	40.7
267.09726	1.9
280.01141	1.3
303.09583	1.0
387.12357	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01861	0.7
55.05505	0.7
65.03946	1.7
67.05492	2.3
68.15799	0.5
69.03413	0.6
69.07067	1.1
70.06573	2.0
70.44976	1.0
70.45319	1.4
71.04991	0.7
77.03982	0.7
79.05480	2.3
80.05006	2.2
81.03402	1.3
81.07044	2.5
83.04952	0.8
84.08122	0.6
85.02898	2.0
89.03889	1.3
89.18476	0.5
91.05474	3.3
93.05795	6.5
93.07060	1.4
94.04183	2.1
94.06552	1.6
95.04977	1.9
95.08616	1.4
97.06531	1.5
103.05465	2.0
105.07020	1.8
107.04949	1.3
107.08584	1.3
108.08117	26.3
109.02898	0.7
109.06495	1.5
109.10152	1.0
111.04470	0.7
115.05429	1.1
116.04977	4.2
117.06998	1.0
118.06498	0.7
119.04929	1.8
119.08585	1.0
121.02921	0.7
121.06503	1.1
121.10148	0.8
122.03667	5.0
122.06031	2.4
123.04441	0.9
123.08114	0.7
127.03904	0.5
129.06956	0.6
130.30533	0.5
131.04913	2.0
133.02820	0.5
133.06494	0.7
134.05980	0.8
136.07574	100.0
137.05972	56.2
137.07799	0.8
137.08122	0.9
138.06363	1.3
143.04918	2.0
144.04446	11.7
145.06471	2.4
146.06001	1.1
147.04486	1.0
148.05228	0.9
151.03908	4.7
151.05014	0.7
152.07065	0.7
153.05421	0.6
155.06004	0.8
159.08000	0.9
161.06001	0.8
161.09558	0.7
162.05505	4.8
163.07532	1.3
164.07051	3.8
167.07033	11.1
171.09169	0.6
172.03935	42.1
173.04565	0.8
173.05939	2.6
174.05481	0.8
175.03979	1.1
175.07635	1.2
176.07069	7.0
177.01971	0.6
177.05548	0.8
181.04945	14.0
190.04953	0.8
191.07027	4.8
192.06572	1.5
201.05324	0.7
202.04985	1.9
204.06555	45.3
205.06815	1.1
205.08653	1.4
207.06541	2.6
210.25475	0.6
219.06490	2.6
222.07855	0.7
223.08690	1.1
233.08154	1.2
234.07620	8.3
235.09720	1.1
236.09293	1.1
237.10201	1.8
239.07930	0.6
249.10297	2.0
250.10997	0.9
251.07813	0.7
253.09805	0.7
265.09677	1.4
266.10480	1.3
267.11163	1.0
277.09598	1.1
281.09143	1.6
281.12839	1.2
293.08917	0.9
294.09866	1.4
295.10532	0.9
299.05518	1.7
299.13864	1.7
309.12292	1.6
319.09842	0.7
323.10449	0.8
327.13370	4.8
351.12091	0.9
355.12869	12.5
356.13379	0.8
357.13324	6.1
359.15979	0.8
369.13635	1.8
387.15060	30.4
388.15399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1263
Annotation	Axitinib
Peak:m/z	Relative Intensity
53.03931	1.0
55.01847	0.9
55.05502	1.5
56.05017	1.2
57.03419	1.3
60.04502	2.3
60.05626	0.7
65.03896	1.0
67.05488	1.2
69.03416	4.0
69.07030	1.4
70.06587	12.3
71.04971	1.8
71.51514	1.2
72.08152	8.6
74.06069	1.5
79.05473	1.6
81.03418	4.4
81.07037	1.3
83.04993	0.8
83.06142	0.7
84.04498	2.3
84.08138	6.1
85.02904	5.9
86.09711	7.3
87.05568	0.9
91.05463	2.7
93.07024	1.6
95.04962	1.0
95.06067	1.6
95.08586	1.4
97.02887	3.8
99.04440	1.6
105.03379	1.4
105.07027	2.0
107.08624	1.1
109.02888	3.6
110.07175	1.1
110.41932	0.7
112.08723	3.5
112.75762	0.7
116.07092	4.5
116.07808	0.9
119.04909	2.9
119.08582	1.4
120.08089	3.2
121.06577	1.1
122.06024	1.4
123.04392	1.7
123.08039	1.1
124.03925	0.9
127.03948	1.4
127.05014	1.9
129.10216	3.3
133.10138	0.8
136.07565	2.8
136.59938	0.7
137.05971	1.3
137.09584	0.8
139.07320	2.2
139.08623	1.8
145.04930	1.4
147.04410	4.4
149.05991	0.9
151.03902	1.2
151.07512	1.2
153.05476	1.4
163.11192	2.9
167.07037	4.1
173.09233	4.5
175.03897	3.1
187.14452	2.1
189.12535	1.1
197.04353	0.8
204.30450	0.8
207.06451	6.2
207.09917	1.0
207.13855	4.2
221.05127	2.0
225.14827	1.4
227.05251	1.6
241.09018	1.0
283.11322	1.1
301.12698	6.2
325.12732	1.4
343.13586	37.1
369.11847	1.0
387.12534	100.0
387.26657	5.7
388.12842	3.2
409.65652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	4.1
65.03941	3.2
65.29485	2.8
69.03419	9.2
69.94316	14.1
70.06573	12.8
72.08138	9.2
79.05476	6.0
81.03402	10.2
81.07038	10.7
84.08128	11.6
85.02901	7.2
86.09706	6.2
87.00813	3.3
91.05485	32.9
93.07023	5.1
93.83737	3.1
95.01304	3.6
95.04964	5.2
95.08608	18.2
97.02913	3.2
97.06531	3.4
98.21478	4.7
99.04478	4.4
105.03394	45.3
105.07024	5.7
106.03715	9.1
107.04936	7.2
107.08562	3.7
109.02869	5.0
109.06526	3.7
109.10105	2.8
119.04940	36.6
119.08565	3.4
121.02888	5.9
121.10143	4.0
123.04458	2.9
127.03869	7.3
131.08572	5.3
134.22737	2.9
137.02293	3.6
137.05981	16.4
141.10165	3.3
145.02971	3.1
145.08698	2.7
145.10095	4.7
147.04398	36.9
151.03905	4.7
152.06989	4.8
157.04034	3.2
161.09615	3.3
162.09142	28.1
163.09517	7.6
167.07030	9.3
173.13310	3.1
175.03893	48.9
179.07028	4.5
191.06941	2.8
201.16328	3.9
204.87625	3.6
207.06526	100.0
237.18575	4.3
315.26852	2.7
344.19720	9.1
387.14374	6.5
387.20731	5.7
412.13293	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56006	0.7
53.03925	2.4
53.34535	0.7
55.01858	1.0
55.05499	2.2
55.63666	0.7
56.05016	1.3
57.03420	1.8
58.06580	0.9
58.99556	0.9
60.04500	2.9
60.05616	1.6
60.95099	0.7
61.02932	0.9
67.05485	2.3
69.03428	6.1
69.07054	1.6
70.06589	31.2
71.04967	2.8
71.52214	0.8
72.08151	10.4
73.02898	1.2
74.06064	3.1
79.05471	2.2
81.03419	7.2
81.07038	3.6
83.04966	2.9
84.04520	4.7
84.08141	12.7
85.02901	8.8
85.06529	1.6
85.08465	1.0
86.09700	15.0
87.00838	1.0
87.05594	1.4
88.03997	0.8
91.05473	5.8
93.07014	1.6
93.24399	0.8
94.06580	1.7
95.04955	3.0
95.06074	1.2
95.08577	1.8
97.02876	4.8
97.06512	1.4
98.06026	0.9
99.04441	3.8
99.08124	1.1
100.02166	1.6
101.07121	2.2
102.05555	0.8
103.03880	0.8
103.05463	1.0
105.03386	10.2
105.07006	2.4
106.02906	1.7
107.08591	2.1
109.02846	3.9
109.06517	1.3
110.07154	2.8
111.04470	0.9
111.05563	0.8
112.08733	4.9
115.08694	0.9
116.07080	10.6
119.04980	4.9
119.08586	1.7
120.06516	0.8
120.08081	4.5
121.02828	1.2
121.06538	1.3
121.07607	1.6
121.08420	1.6
121.10142	1.7
122.02750	2.1
122.06030	2.3
123.04410	2.9
123.08058	1.8
124.03961	4.3
125.06008	1.0
127.03902	4.2
129.10245	4.7
130.05005	0.8
133.10150	1.1
135.04414	0.8
136.07573	5.6
137.06013	1.1
137.07941	1.5
138.05467	1.3
139.04990	1.7
139.07314	3.7
139.08633	5.6
145.04927	1.7
147.04379	3.4
147.07983	1.0
147.11623	1.3
149.09572	1.6
151.07516	2.4
163.11203	2.5
165.05418	1.2
166.03221	1.0
167.07034	5.6
173.09235	6.6
173.12798	1.2
175.03909	3.7
175.11867	1.3
177.05478	1.0
177.12711	1.0
181.04962	1.5
181.12321	0.9
183.06570	1.2
187.14413	4.1
187.56943	0.8
189.12679	1.3
189.44025	1.1
195.13802	1.4
201.12529	0.9
207.06500	7.8
207.13844	3.9
211.15462	1.7
212.03777	3.6
215.13905	1.9
221.05281	0.9
225.14853	2.2
227.05234	1.9
249.07611	1.6
271.04260	1.0
274.18744	1.5
301.12613	8.5
325.12671	2.0
343.13602	46.7
344.13858	1.4
369.11447	1.4
370.24246	0.9
387.12497	100.0
387.16162	5.6
387.26901	11.6
388.13071	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01864	0.5
55.05506	0.4
62.52557	0.2
65.03924	0.5
67.05503	0.4
69.03419	1.0
69.55767	1.3
70.06586	1.1
72.08156	0.8
73.02917	0.2
79.05488	0.3
81.03429	1.1
81.07059	0.5
84.08144	0.7
85.02905	1.4
86.09716	0.7
87.00823	0.7
91.05484	5.9
92.06271	0.4
93.07040	1.6
95.04992	0.4
95.08591	0.2
97.02896	0.6
104.96853	0.3
105.03393	0.7
105.07007	0.3
107.04949	0.2
109.02888	0.8
109.06533	0.6
110.07107	0.3
114.05521	0.2
117.47788	0.2
118.06567	0.5
119.05000	0.3
120.08104	100.0
121.02870	0.9
121.08458	1.2
121.10107	0.3
123.11720	0.5
125.05954	0.5
127.03924	0.7
129.10123	0.3
137.06042	0.3
138.09128	1.2
147.04305	0.3
150.08952	0.3
162.09126	0.5
182.15405	0.3
201.05411	0.3
202.05896	0.6
205.90279	0.2
207.06531	0.5
207.13638	0.5
225.14912	0.5
283.68939	0.2
386.14676	1.2
386.20682	0.4
387.20114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01864	0.5
55.05506	0.4
62.52557	0.2
65.03924	0.5
67.05503	0.4
69.03419	1.0
69.55767	1.3
70.06586	1.1
72.08156	0.8
73.02917	0.2
79.05488	0.3
81.03429	1.1
81.07059	0.5
84.08144	0.7
85.02905	1.4
86.09716	0.7
87.00823	0.7
91.05484	5.9
92.06271	0.4
93.07040	1.6
95.04992	0.4
95.08591	0.2
97.02896	0.6
104.96853	0.3
105.03393	0.7
105.07007	0.3
107.04949	0.2
109.02888	0.8
109.06533	0.6
110.07107	0.3
114.05521	0.2
117.47788	0.2
118.06567	0.5
119.05000	0.3
120.08104	100.0
121.02870	0.9
121.08458	1.2
121.10107	0.3
123.11720	0.5
125.05954	0.5
127.03924	0.7
129.10123	0.3
137.06042	0.3
138.09128	1.2
147.04305	0.3
150.08952	0.3
162.09126	0.5
182.15405	0.3
201.05411	0.3
202.05896	0.6
205.90279	0.2
207.06531	0.5
207.13638	0.5
225.14912	0.5
283.68939	0.2
386.14676	1.2
386.20682	0.4
387.20114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1646
Annotation	Schizandrin C
Peak:m/z	Relative Intensity
56.96556	2.9
58.06597	10.1
69.89194	3.7
70.06582	0.9
70.60381	0.8
72.08141	3.1
80.65553	0.7
81.08942	0.9
84.08149	3.8
98.09681	1.2
98.20805	0.9
98.97581	12.9
100.11259	3.4
110.97553	0.9
116.07050	1.2
116.98626	7.6
126.09142	1.3
134.99646	2.1
144.10168	2.3
188.05878	0.9
191.77805	0.8
198.04402	1.6
200.05956	4.5
216.05588	1.0
218.06935	5.5
242.06999	91.1
243.07378	1.8
244.81725	0.8
260.08081	75.2
261.08392	1.6
278.09058	0.9
283.09573	2.9
288.09149	1.4
314.97098	0.8
325.15128	1.1
329.13766	6.3
385.16464	100.0
386.16995	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	385.31
Annotation	8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoic acid
Peak:m/z	Relative Intensity
53.84955	7.7
53.85247	7.6
55.05508	31.5
56.33500	6.7
67.05494	36.1
69.07070	49.4
69.37100	25.2
69.37524	36.6
73.84727	7.3
75.94421	6.8
79.05490	25.6
81.07066	63.4
83.08626	19.3
91.05484	19.5
93.07042	47.4
95.08614	73.7
95.25566	7.1
99.08083	13.9
104.11637	7.5
105.07034	35.0
107.08588	38.7
109.10154	57.2
111.08084	13.2
111.11796	7.8
117.06973	8.3
119.08597	50.1
121.10153	48.9
123.11739	20.3
131.08569	24.5
133.10161	41.4
135.11687	23.8
137.13167	9.0
139.11116	8.6
143.08540	9.3
145.10144	37.7
147.11682	30.6
149.13266	21.0
151.11253	11.1
152.54533	7.7
159.11693	42.8
161.13254	20.2
163.11201	7.3
163.14833	10.7
165.12752	34.8
171.11644	13.5
173.13261	16.6
175.14769	12.5
177.12665	12.7
185.13251	12.8
187.14775	62.4
193.15840	13.4
199.14763	16.6
213.16391	39.8
215.18120	9.1
227.17917	26.5
229.19527	22.0
241.19380	8.3
245.18987	19.0
247.22845	8.5
259.20471	7.9
341.28302	8.9
367.29880	61.0
385.31042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80258	2.7
55.05499	6.4
57.07062	7.1
63.05350	2.4
67.05509	16.1
69.07065	19.1
70.34863	4.9
70.35260	5.4
71.01232	2.8
71.08631	3.4
79.05484	7.3
81.07055	77.1
83.08614	9.2
85.06541	3.6
91.05466	8.7
93.07057	15.5
95.08604	100.0
97.10127	3.3
99.24422	2.7
105.07058	11.6
107.08600	26.0
109.10153	27.0
119.08583	14.9
121.10154	21.0
123.08035	3.5
123.11724	14.4
123.12480	2.5
131.08629	3.8
133.10173	13.9
135.11653	15.5
137.13255	55.1
145.10110	6.1
147.11679	8.4
149.13257	12.0
151.14806	8.9
159.11679	3.5
161.13258	14.1
163.14809	7.8
165.16426	2.7
173.13269	3.5
175.14789	4.8
177.16315	4.4
179.14381	7.9
187.14742	5.7
187.49608	3.3
189.16406	7.4
193.19484	2.9
201.16371	3.8
203.17979	6.0
215.17929	3.5
217.19537	14.1
229.19519	9.8
235.20441	3.0
239.50139	2.9
243.20975	3.9
311.68402	2.7
367.33502	10.9
368.33841	2.7
376.16565	2.8
385.34494	21.1
386.34845	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	385.1282
Annotation	Licopyranocoumarin
Peak:m/z	Relative Intensity
53.03947	0.5
55.05509	1.0
57.36737	0.3
63.57388	0.4
67.05499	0.9
67.15459	0.4
68.99799	1.1
69.07057	0.6
70.48211	1.2
71.08681	0.4
75.68366	0.4
79.01847	0.6
79.05480	0.6
81.07053	1.3
84.67251	0.4
85.02911	0.6
91.05471	0.9
92.99768	0.6
93.07025	0.9
95.08608	0.8
99.08070	0.4
105.07039	0.7
107.08574	0.8
109.02936	0.4
109.10137	0.6
118.04188	0.4
119.04985	1.8
119.08600	0.9
120.05749	0.5
121.02869	3.7
121.10127	0.6
124.01570	1.4
133.10143	0.9
135.11679	0.7
139.92393	0.4
142.02914	0.4
145.02872	1.4
159.11620	0.4
163.03941	3.6
185.13287	0.4
187.03897	2.2
189.16338	0.4
191.03328	0.4
193.01239	0.7
195.02849	1.7
197.05939	1.0
212.64183	0.4
213.05551	1.1
242.05753	17.5
243.06328	0.8
253.04970	5.6
255.06589	1.3
256.07245	2.0
259.08005	0.6
270.05228	5.1
271.05991	0.8
273.03970	1.6
283.06024	5.9
284.06824	6.2
285.03949	4.5
285.07535	2.0
295.06064	1.3
297.04019	4.6
297.07147	0.7
299.05582	3.8
309.04086	0.7
309.07272	0.7
311.05539	2.1
313.07065	100.0
314.07434	5.0
315.04996	10.7
316.05502	0.6
325.06857	0.9
325.10718	14.3
326.10999	0.9
335.09122	0.7
353.10223	19.8
354.10660	1.0
367.30118	0.8
385.12820	50.2
386.13312	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1281
Annotation	Licopyranocoumarin
Peak:m/z	Relative Intensity
55.05461	1.8
56.96521	0.5
57.03392	0.9
67.05451	2.5
69.03404	1.1
69.07013	1.4
69.36876	4.0
70.06564	0.6
79.05443	1.9
81.03392	0.6
81.07051	3.5
83.04942	0.6
83.08588	0.7
85.02871	1.1
85.06499	0.5
91.05487	2.8
93.06986	1.6
95.04920	1.6
95.08607	2.5
96.40614	0.4
97.10173	0.5
105.07050	2.6
107.04937	0.5
107.08554	1.4
109.02869	0.6
109.06490	1.0
109.10103	1.7
111.04382	1.1
111.08050	0.5
111.09592	0.4
119.04974	2.6
119.08562	1.3
120.05699	0.5
121.02889	4.6
121.06461	0.6
121.10096	1.7
129.07039	0.8
131.04892	0.5
131.08521	0.8
133.10150	2.4
135.08076	0.7
135.11649	0.6
137.05951	0.6
143.08525	0.6
145.06450	0.7
145.10092	0.5
147.11601	0.7
149.02318	0.9
151.11116	0.9
157.10112	0.7
159.11800	0.5
161.09628	0.5
163.03838	1.5
165.01854	0.6
167.03404	0.5
169.10030	0.5
171.08113	0.5
171.11566	0.5
173.13234	1.0
175.06277	0.5
175.11209	0.7
178.71625	0.4
180.09261	0.5
183.03001	0.5
185.13235	1.0
187.03844	0.7
193.04971	1.0
193.12224	0.5
195.02802	1.0
201.05583	0.5
207.17226	0.4
211.07469	0.6
211.15030	0.5
213.05440	1.3
217.04915	0.6
227.07159	0.5
242.05745	12.4
253.04961	3.8
255.06554	2.8
256.07312	4.2
270.05264	3.3
271.05951	1.7
283.06046	10.1
284.06790	14.2
285.03912	3.0
285.07397	1.7
285.16907	1.0
295.05969	2.2
298.04559	0.8
299.05527	0.9
309.07501	1.0
311.09152	1.4
313.07065	84.4
314.07388	3.3
315.04904	1.3
323.09070	0.7
325.10703	16.7
326.11273	0.6
327.08688	0.7
335.09192	2.1
353.10184	21.0
354.10367	0.7
385.12848	100.0
386.13132	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	384.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
58.06588	1.5
65.03937	2.6
67.05495	2.1
69.03405	0.6
69.07076	4.0
69.34686	2.7
69.35122	2.3
77.13133	0.6
79.05492	1.7
81.07055	2.6
86.02430	20.1
87.13026	0.5
91.05485	3.3
91.11218	0.5
92.05790	1.4
93.07053	8.1
94.07368	2.1
95.08604	1.5
104.03465	19.7
105.07027	1.4
107.04955	12.5
107.08579	1.3
109.10150	0.7
111.04443	1.9
118.26566	0.7
119.04939	1.7
119.08577	1.8
121.02868	100.0
121.10117	2.8
122.03200	2.3
125.69485	0.6
131.04849	0.6
133.06494	0.6
135.04401	1.2
135.11688	1.4
136.07538	1.1
136.12041	0.8
146.06027	1.4
147.04417	3.8
148.04710	1.8
149.04855	1.1
149.06017	2.4
150.06340	1.3
159.04466	1.1
161.13261	0.9
162.05498	1.6
163.03918	0.9
164.07076	21.3
165.07417	1.0
175.03911	25.0
176.04239	18.2
177.05493	2.4
178.05803	1.4
178.15895	1.0
180.06561	55.7
181.06889	2.1
187.03917	1.4
188.04187	0.8
189.09102	1.1
194.87140	0.7
196.17029	0.7
201.05472	1.2
202.05800	1.0
206.40561	0.6
207.10248	0.7
208.10466	0.8
213.09068	1.1
214.09521	1.3
229.08617	5.1
230.08899	6.7
232.13382	1.3
247.09657	11.9
247.12177	1.0
248.10039	17.1
248.12820	3.3
249.10289	0.9
312.16803	2.1
316.19147	6.6
317.19238	0.7
345.48166	0.7
356.22977	0.8
384.25443	7.1
384.29361	0.6
385.25659	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.01865	0.5
55.05508	1.0
56.38129	0.3
57.03423	0.3
57.07078	0.4
59.05000	0.7
59.37881	0.3
60.04528	0.7
65.03925	0.4
66.61905	0.3
67.05499	1.0
68.99820	0.3
69.03426	1.8
69.07067	0.9
70.06590	4.9
71.04996	1.2
71.51542	0.3
71.51915	0.4
72.08163	1.5
79.05489	0.7
81.03445	1.6
81.07063	1.1
82.06564	0.7
83.04993	0.7
83.06124	0.3
83.08622	0.4
83.68346	0.3
84.04498	1.0
84.08143	59.5
85.02899	3.3
85.06544	0.4
85.08490	0.7
86.06053	0.3
86.09721	1.3
87.00836	0.6
87.04462	0.7
91.05479	2.2
93.03432	0.3
93.04552	0.3
93.07039	2.4
95.04967	1.0
95.06063	0.4
95.08613	1.1
97.02877	1.8
98.06071	0.5
99.04452	1.4
99.08121	0.4
100.02232	0.4
101.06018	0.5
103.05514	0.4
105.01862	0.8
105.03391	0.9
105.07044	0.9
106.02904	0.4
106.06541	0.3
107.04947	0.9
107.08604	0.9
108.04465	0.3
108.08102	0.3
109.02875	1.1
109.06503	0.4
109.10172	0.5
110.07153	2.5
116.07092	0.5
117.18107	0.3
118.06520	1.9
119.04970	1.1
119.07072	1.0
119.08604	0.7
120.08099	0.8
121.02869	0.5
121.06496	1.5
121.10152	0.6
122.06054	0.4
123.04435	0.8
124.03977	1.3
125.06023	0.4
126.09099	0.3
127.03940	2.4
129.10251	0.6
133.10130	0.5
135.04381	0.4
135.08112	0.3
136.07576	1.6
137.06012	0.5
138.09183	0.5
144.10194	100.0
145.05014	1.0
145.10507	1.0
147.04417	1.0
149.05972	1.5
159.11778	0.3
163.03952	0.4
165.05424	0.3
166.08665	0.7
167.07027	1.8
175.03960	1.1
177.05510	0.4
186.09204	0.5
201.05525	0.6
205.12331	0.3
207.06682	1.7
213.12294	0.4
222.07716	1.9
222.11401	0.8
222.14885	8.2
223.06146	0.4
238.05298	0.4
271.13306	0.3
285.45926	0.3
288.13678	0.3
322.23898	1.3
366.15567	0.5
366.27344	0.3
384.16315	0.6
384.23895	17.5
385.24344	0.4
405.48230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
54.80586	0.6
55.05501	1.9
56.05033	1.6
60.04511	0.7
64.75403	0.6
67.05506	1.1
68.05011	1.4
69.03423	2.1
69.07080	0.7
70.06589	100.0
71.04979	0.7
71.06927	1.4
71.52608	0.7
71.52993	1.1
72.08150	2.8
73.06551	2.4
74.06066	1.2
79.05504	0.7
81.03416	1.5
81.07050	1.8
83.04948	1.0
83.06100	1.2
84.04501	1.9
84.08148	5.2
85.02903	2.3
85.06540	1.1
86.06060	2.7
86.09696	11.7
88.04016	0.9
91.05479	2.1
95.04975	0.8
95.06123	0.6
95.08582	0.7
96.04532	0.7
97.02891	1.6
98.06063	3.1
103.03937	1.1
104.05329	1.6
105.03410	1.0
107.04971	1.5
109.02882	1.0
110.07159	4.5
112.08748	0.9
114.05560	0.8
116.07106	1.2
119.04921	0.7
119.08588	0.9
120.08125	2.5
121.02875	5.3
127.03938	2.2
128.10738	2.6
129.10265	2.0
131.08537	0.7
132.06554	14.8
136.07602	1.9
147.04353	0.7
151.03885	0.8
163.11197	0.7
167.07095	1.1
175.03920	0.9
177.05504	1.5
181.05025	0.7
196.39240	0.6
201.05478	1.4
207.06560	0.8
221.09346	1.4
222.11395	1.2
223.06085	0.8
223.09764	2.8
223.13274	0.7
229.11826	57.1
230.12332	1.6
264.12460	1.1
305.08362	0.8
337.07657	0.8
338.20847	0.9
384.21164	2.1
385.07159	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42171	1.2
53.03947	5.6
55.01871	9.7
57.03431	6.7
57.07067	1.9
60.93915	1.2
61.02932	6.8
63.04466	1.8
68.99780	2.2
69.03429	37.4
69.29504	3.5
69.29926	7.7
70.06578	3.3
71.04992	5.1
73.02930	6.6
81.03423	27.1
84.08147	1.3
85.02908	100.0
85.37991	1.1
86.09676	1.6
87.00831	45.5
87.04447	1.4
91.03944	2.4
91.05466	1.9
93.07042	2.2
97.02893	35.4
98.70768	1.1
99.04458	13.8
101.09701	1.1
105.01868	68.5
105.03332	5.9
105.07031	1.5
107.04949	1.3
107.08604	2.2
109.02885	28.5
115.03991	1.1
117.01817	2.6
119.08577	1.6
119.10695	3.3
121.02821	1.7
121.10155	2.3
123.07992	1.2
127.03918	70.0
129.01811	3.3
137.05966	3.6
143.78690	1.2
145.04961	30.9
147.02908	1.5
147.08119	1.2
153.05443	2.6
159.02908	13.7
163.11143	1.4
167.07106	1.2
181.12216	5.3
189.03993	2.2
201.05482	6.9
204.10196	2.0
205.12193	7.9
211.91220	1.2
213.03926	4.5
222.11279	2.3
223.13300	4.2
230.03821	1.1
231.04980	19.4
231.10043	1.3
249.06056	4.0
385.18808	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	384.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39857	3.2
55.01859	3.9
55.05513	23.7
57.03420	4.6
57.07071	5.4
65.03940	7.5
66.83167	3.6
67.05505	25.8
69.03419	9.3
69.07059	10.6
70.06582	13.6
71.53836	5.3
72.08163	7.3
79.05488	14.9
81.03416	7.7
81.07053	18.5
83.04973	3.5
83.08611	9.0
84.04501	5.7
84.08159	6.9
85.02864	10.1
85.06544	17.0
86.09709	4.0
87.00833	3.1
91.05476	12.5
93.07014	11.3
95.04971	4.1
95.08606	8.6
97.02894	3.6
97.06531	6.5
98.09679	4.1
100.11253	23.2
105.03362	8.9
105.07014	10.4
107.05009	7.9
107.08581	6.6
109.02883	6.4
109.06512	5.6
109.10117	4.1
111.04480	4.7
115.05498	4.4
117.06975	5.2
119.04966	3.9
119.08576	5.4
119.84064	3.0
120.08100	4.3
121.02817	7.7
121.10146	4.5
127.03950	4.9
129.06937	3.8
131.04951	5.1
131.08578	4.2
133.10089	3.4
135.04381	7.6
135.08008	5.2
135.11705	3.3
135.41396	3.0
137.05951	12.0
139.13509	3.1
141.11528	4.0
145.10138	5.2
147.04399	14.6
147.08051	5.6
147.11719	4.4
149.13182	3.6
159.04391	5.9
159.11655	3.5
161.05891	3.7
161.13205	3.4
162.09154	4.2
165.12820	4.5
167.07021	8.3
175.02362	5.0
175.03900	100.0
177.05499	19.0
181.04961	4.7
182.15416	10.0
187.03893	24.9
189.05467	12.7
199.03824	4.1
201.05470	16.9
203.03461	4.5
207.06445	4.9
209.16505	5.3
210.14851	7.0
211.15179	4.2
217.08414	4.2
222.08983	5.4
223.05952	4.6
223.09698	4.3
227.06886	3.2
227.17563	7.2
229.08594	30.4
231.10196	12.4
235.16928	4.2
241.08594	15.8
243.10123	20.2
247.09673	74.1
255.10266	4.7
259.09595	5.9
285.03055	3.2
295.13281	6.0
313.14294	23.8
331.15372	42.5
335.08917	4.2
349.16415	4.7
352.12207	5.0
363.64990	3.7
376.33063	3.6
384.15045	9.8
385.12997	5.6
398.32593	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	384.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01889	0.6
55.05509	1.6
56.05036	1.5
57.03428	1.3
61.02910	1.0
69.03428	4.1
69.07061	0.7
70.06590	7.4
71.04996	1.1
72.04515	18.5
72.08151	7.7
73.08476	1.0
81.03414	2.4
83.06135	0.7
84.04501	0.7
84.08131	2.6
85.02916	8.3
86.09718	1.9
87.04456	0.8
87.05599	0.7
89.03926	2.5
91.05492	2.2
93.07050	0.8
96.04506	0.8
97.02888	3.1
98.06026	0.8
99.04441	1.1
100.79342	0.7
105.03377	1.1
105.64512	0.8
106.02911	1.1
107.08585	0.7
109.02897	1.6
109.43599	0.7
110.07175	4.4
112.76976	0.6
117.03388	8.1
119.04947	1.8
120.08107	2.8
121.02869	4.1
124.03967	2.0
127.03925	2.5
129.10265	1.1
130.06534	1.0
132.04419	0.7
134.03598	1.3
135.04407	1.7
136.07571	4.2
137.05995	1.0
141.47247	0.6
145.02843	41.1
145.04805	1.2
145.04997	1.5
149.05983	2.7
158.06071	1.5
163.03888	1.6
167.07036	1.0
175.08702	2.2
176.07121	0.9
177.05466	70.4
178.05826	1.6
180.07640	1.0
186.05527	0.8
186.08807	0.8
207.05249	32.4
221.09161	3.5
221.39267	0.7
222.07654	100.0
222.11192	86.5
223.07942	2.7
223.09682	1.8
223.11652	1.7
229.11945	0.8
238.05397	2.6
297.19232	0.8
338.20844	1.3
377.34711	0.7
384.16595	1.5
384.21182	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	384.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.7
57.07062	6.4
57.12224	2.9
60.33042	2.8
65.03927	3.3
67.05502	23.3
67.66039	2.9
69.52649	21.2
75.00018	13.1
85.06535	7.8
91.05469	3.1
98.21436	3.1
103.03116	7.5
109.10161	3.9
119.98244	2.8
131.04884	5.6
147.04384	9.5
159.04395	12.1
163.03896	5.3
175.03909	100.0
177.05424	11.5
178.72810	3.1
184.72165	2.7
187.03900	34.0
187.07567	4.6
189.05437	8.7
199.03998	4.3
201.05429	8.3
203.03404	8.3
215.05656	3.8
226.06204	3.4
229.08574	34.7
231.10124	14.4
239.56279	3.5
241.08539	13.2
243.10173	10.5
247.09666	48.3
258.07623	23.8
259.09592	9.0
277.06253	8.2
286.07117	15.4
288.08566	5.1
312.08603	8.2
313.14365	10.9
349.12024	26.2
367.13086	71.6
384.10086	4.3
384.14508	64.3
384.30356	4.2
385.14462	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	384.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
56.05034	2.6
60.04552	0.6
61.01149	1.7
69.03432	0.8
70.06596	14.6
71.05004	1.0
71.06940	1.1
71.52585	0.8
71.52975	0.7
72.04517	20.8
72.08151	1.7
81.07104	0.7
83.06086	0.7
84.04501	1.3
84.08154	2.4
85.02920	1.5
86.09706	2.2
89.03426	0.6
89.03928	2.4
91.05477	3.4
93.07072	0.7
97.02910	1.0
98.06078	0.9
104.05330	2.4
105.03374	0.7
110.07176	3.9
114.43517	0.6
115.08707	0.7
116.07104	0.9
117.03376	10.9
119.04942	1.8
120.08093	2.6
121.02859	1.2
122.07314	0.5
124.03980	0.6
127.03901	0.7
129.10254	0.7
130.06529	2.3
132.04414	1.2
132.06584	0.9
134.06000	0.7
135.04387	1.0
135.95183	0.5
136.07584	6.1
136.84206	0.5
137.05913	1.0
138.47426	0.5
145.02846	44.6
146.03156	0.8
149.06004	3.3
152.08145	1.3
157.07588	1.1
158.05991	2.8
159.09204	0.7
163.03949	0.8
167.07085	0.9
175.08641	3.2
175.11961	0.5
177.05473	86.5
177.20796	0.6
178.05853	2.0
180.07664	0.6
186.05482	1.3
186.09135	0.6
188.07285	1.0
203.08189	1.4
207.05217	3.3
221.09174	4.2
222.07631	10.0
222.11246	100.0
223.11566	3.2
229.11844	4.6
233.09460	0.9
384.16217	2.9
384.20767	1.0
384.27817	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1438
Annotation	AMG-208
Peak:m/z	Relative Intensity
51.56348	0.3
58.09443	0.4
67.05503	0.5
70.72633	0.6
70.72978	0.6
87.97042	0.4
88.25382	0.4
97.06512	1.0
105.36482	0.3
157.99297	0.4
161.53203	0.4
187.06268	0.8
195.36505	0.4
202.08646	2.5
215.05737	5.8
216.06339	0.8
226.05025	0.7
230.04459	0.5
230.08115	1.5
243.05260	4.4
244.06062	0.9
258.07623	68.2
259.07986	2.3
272.05563	0.6
273.06253	5.7
274.07086	0.5
286.07095	36.5
287.07745	3.6
288.08624	7.9
369.11917	0.6
384.14407	100.0
385.14792	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	384.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	0.5
70.00933	1.9
70.06559	1.1
80.28538	0.4
80.36422	0.3
97.06504	1.6
187.06277	0.9
198.05418	0.5
202.08614	2.0
215.05768	6.5
216.06358	0.5
230.08139	1.5
242.08075	0.5
243.05261	4.6
244.05994	0.9
245.06824	0.7
252.02998	0.4
258.07617	62.3
259.07996	1.6
272.05432	0.9
273.06268	6.0
282.38971	0.5
286.07089	34.8
287.07806	6.1
288.08670	10.4
340.11783	0.5
384.14404	100.0
385.14755	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	384.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49782	0.3
53.03951	0.5
55.01864	0.5
55.05515	1.0
55.22853	0.3
56.05029	1.3
57.03438	0.6
58.06605	0.6
60.04523	1.1
67.05498	0.3
69.03440	1.8
69.46523	0.6
69.46938	1.6
70.03721	0.3
70.06595	4.5
72.08154	2.0
73.02906	0.5
74.06083	0.3
77.60939	0.3
78.03458	1.0
79.75724	0.3
81.03423	2.2
81.07053	0.7
83.06094	0.3
83.08630	1.0
84.04512	3.6
84.08152	2.0
85.02905	2.3
86.06069	1.2
86.09694	1.0
87.04470	0.3
91.05480	1.0
93.07039	0.4
95.04969	0.3
96.04491	0.8
97.02898	1.4
99.04465	0.8
102.05579	0.4
106.02919	5.3
107.04981	0.5
109.02876	1.3
109.06520	0.3
110.06039	0.5
110.07169	1.5
116.07072	0.4
119.04939	0.5
119.07021	0.5
119.08570	0.6
120.08092	0.6
121.02879	1.8
121.06522	0.6
122.06019	0.7
123.04396	0.4
123.06816	0.4
124.03959	9.9
127.03899	1.5
129.10236	0.9
133.06511	0.4
134.03616	0.3
136.07622	0.6
138.05469	0.5
144.10199	0.9
145.04948	0.5
145.10182	0.3
146.08104	0.8
147.04414	1.1
148.07666	0.4
149.05992	0.4
151.06245	0.3
161.05989	0.4
165.05472	0.5
166.08638	0.3
176.03450	0.5
176.07062	1.2
179.05775	0.8
189.04251	0.3
194.04491	2.1
202.08705	0.4
204.06555	0.4
204.09183	0.3
205.08868	0.6
206.08047	0.3
207.05266	61.1
208.05557	1.6
213.12314	0.4
220.09676	0.7
221.10049	0.5
222.04018	3.4
222.07616	100.0
223.07956	2.4
238.05376	2.4
250.07066	2.9
262.14346	0.3
268.08185	2.1
280.15359	0.3
286.09143	0.5
366.11102	0.5
366.15329	0.8
382.23505	0.3
384.12793	28.6
384.28452	0.6
385.13162	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.144
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90658	0.5
67.05490	1.3
69.42442	4.4
77.24133	0.6
121.32869	0.5
134.05978	1.1
146.25259	0.5
170.06027	2.1
174.05478	1.0
186.05458	1.1
187.06288	2.4
198.05515	4.8
199.06285	1.1
200.07063	0.6
201.04309	0.6
202.04988	1.9
210.05469	0.8
212.07056	1.4
213.04192	1.0
213.07753	0.6
214.05014	1.7
215.05780	4.9
216.06453	1.2
223.06339	0.7
224.07021	0.7
226.04971	7.5
227.05505	0.7
228.06543	0.7
230.08127	0.7
238.04988	1.0
239.05713	0.9
240.06578	3.2
241.03696	2.4
241.07280	0.9
242.04486	2.0
243.05251	11.1
244.06052	13.2
252.06508	1.9
254.04384	3.0
256.05927	0.7
258.07629	17.0
268.06070	8.9
269.06818	13.5
270.03995	7.4
270.06931	0.7
271.04736	2.6
272.05524	72.1
273.05942	2.4
286.07089	100.0
287.07846	42.7
288.08398	1.8
384.14386	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	384.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
54.16501	0.2
54.46673	0.3
55.01856	0.7
55.05498	0.3
57.03421	1.1
58.19873	0.2
59.04996	0.4
61.02929	1.9
67.05496	0.6
69.03430	5.6
70.06593	1.6
71.04979	0.8
71.53399	0.3
71.66579	0.3
72.08133	0.8
73.02904	0.9
76.64549	0.2
79.05482	0.5
81.03410	3.2
81.07051	0.8
82.03727	0.3
83.04958	0.4
84.08121	0.8
84.08579	0.2
85.02905	10.1
86.03236	0.3
86.09692	0.5
86.70116	0.2
87.00828	0.3
87.04456	1.1
91.03947	0.5
91.05461	0.6
93.07041	1.1
94.07373	0.5
95.04957	0.7
95.08620	0.5
95.31539	0.2
97.02895	4.4
99.04445	0.9
105.03391	0.3
105.05775	0.7
105.07019	0.8
106.07383	0.5
107.04910	0.6
107.08563	0.8
108.08929	0.4
109.02892	1.9
109.06509	0.7
109.10175	0.4
110.07144	0.4
111.04462	0.4
116.07066	0.3
117.07009	0.3
119.08591	0.5
120.08132	0.3
121.02838	0.5
121.06516	0.3
121.10116	0.6
123.04433	0.5
127.03918	2.2
129.10214	0.3
131.08531	0.4
132.09026	0.4
133.05249	1.8
133.06233	0.3
133.10136	0.4
134.10495	0.3
135.11699	0.5
136.12033	0.3
137.05986	0.5
139.31618	0.2
140.00803	0.3
145.04941	1.2
145.06410	0.3
145.10010	0.3
146.09529	0.4
147.04416	0.3
147.11708	0.4
149.03392	0.2
149.09558	0.3
158.10460	0.2
159.07979	0.2
161.04721	18.3
162.05386	0.7
163.03746	0.3
167.07059	0.5
173.06013	0.3
175.03835	0.4
177.12842	0.3
178.04973	3.4
189.04199	17.8
190.04584	0.3
192.10155	0.4
201.05429	2.1
206.04492	1.2
207.05254	9.4
208.05582	0.3
220.14143	0.3
222.07608	100.0
223.07957	2.7
244.14185	0.5
262.15115	0.4
366.16348	0.3
384.12823	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	384.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.4
51.02382	0.9
53.03953	2.7
55.01866	1.1
57.03435	1.3
61.02913	0.5
61.85065	0.3
64.22031	0.3
67.05495	0.7
69.00157	0.3
69.03428	8.7
70.06595	5.2
71.04990	3.0
71.53435	0.6
72.08148	0.9
73.02917	0.7
78.03455	14.6
79.05490	0.6
80.05027	2.1
81.03421	17.5
82.03745	0.4
83.04964	0.4
84.08135	1.4
85.02905	7.3
86.09715	1.0
87.04433	0.4
91.05463	0.9
95.04985	0.5
96.04495	4.2
97.02899	5.8
99.04456	18.4
105.03392	0.4
106.02914	60.1
107.03245	0.9
109.02880	12.3
110.07155	0.8
111.04455	0.4
119.05008	0.4
121.02861	0.8
123.04374	0.3
124.03954	100.0
125.04288	1.4
127.03925	7.5
129.10194	0.7
131.94092	0.3
132.06552	0.5
135.04364	0.4
136.04013	0.4
145.04951	0.9
145.10490	0.4
147.04353	0.5
155.74634	0.3
163.04063	0.5
164.04733	0.4
165.05498	0.4
166.04994	0.9
167.06960	0.4
175.03867	0.6
177.05403	0.4
195.06558	0.3
196.05956	0.6
201.05397	0.3
204.06606	0.8
207.06551	1.1
208.06078	0.5
222.07872	0.4
222.11214	0.6
229.11855	2.0
229.29202	0.3
232.06093	1.7
250.07111	23.9
251.07474	0.7
268.08160	45.0
269.08472	1.0
282.10818	0.5
286.10718	0.4
303.64569	0.3
366.11786	1.1
384.12866	3.9
384.17569	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93301	0.2
53.03875	0.3
55.05445	0.5
55.23565	0.2
56.04950	0.7
57.03355	0.6
57.03596	0.3
59.68289	0.2
60.04437	0.3
61.01073	0.4
61.02851	0.5
69.03332	2.7
69.03741	0.4
70.03695	0.4
70.06494	2.7
70.80190	0.5
71.04944	0.4
72.04418	6.0
72.04848	0.7
72.08054	1.3
73.02853	0.3
79.16811	0.3
81.03319	1.5
84.04430	0.3
84.08041	1.2
85.02798	4.7
86.09598	1.0
87.04388	0.5
88.03914	0.4
89.03824	0.7
91.03893	0.3
91.05383	1.3
93.06963	0.3
95.04910	0.3
97.02892	2.5
98.05990	0.3
99.04355	1.0
101.05958	0.2
105.03326	0.5
107.04892	0.5
109.02775	0.9
110.07166	1.4
117.03368	4.0
119.04849	0.9
120.08088	1.2
121.02901	1.6
122.05894	0.3
123.06742	0.5
124.03893	0.5
127.03820	0.9
129.10153	0.8
130.06433	1.1
132.04411	0.4
134.03520	0.5
135.04395	0.6
136.07593	3.5
137.05904	0.3
143.11728	0.3
145.02843	15.5
145.04770	1.0
146.03140	0.3
147.04314	0.3
149.05989	1.7
151.06190	0.4
152.08189	0.4
156.07704	0.2
157.07564	0.5
158.06096	1.4
159.09126	0.3
161.04697	0.4
162.02895	0.3
162.05493	0.5
163.03841	0.8
174.17345	0.2
175.08650	1.8
175.95657	0.3
176.07065	0.4
177.05472	27.5
178.05725	0.6
179.05779	0.3
180.07687	0.5
182.40926	0.2
186.05540	0.4
190.05042	0.3
203.08104	0.6
207.05263	34.5
208.05598	1.2
221.09238	2.4
222.07629	100.0
222.11099	33.4
223.07896	3.2
223.11552	1.0
229.11717	0.3
238.05342	2.1
293.92407	0.3
302.96954	0.2
370.69177	0.3
384.16492	0.7
384.21402	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38673	2.2
55.05497	5.4
57.07040	3.2
66.32578	2.1
67.05487	6.5
69.07052	7.1
71.26171	3.0
71.26507	3.2
77.47698	2.1
79.05481	8.1
81.07061	25.4
91.05473	11.9
93.07050	19.9
95.08607	27.8
95.09540	2.3
98.85931	2.1
105.07032	100.0
107.08596	22.4
109.10157	14.5
117.07029	3.0
119.08580	54.4
121.10148	13.6
123.11691	5.2
131.08571	3.9
133.10110	15.7
135.11679	16.7
145.10110	5.5
147.11681	12.7
149.13245	10.2
149.29311	2.1
159.11676	7.2
161.13258	97.8
163.14815	9.9
169.55502	3.1
169.90750	2.4
173.13255	2.9
175.14819	23.6
177.16426	4.3
179.14304	7.0
189.16341	4.4
191.17924	17.8
197.82724	2.5
201.16460	2.2
203.17993	2.8
215.17931	3.7
267.50247	2.4
365.32019	7.3
377.19754	2.4
383.33069	30.0
384.14471	4.1
384.33109	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	384.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01871	0.8
56.05041	0.5
56.96552	0.6
57.03437	0.7
57.07030	0.3
60.04503	0.3
61.02927	1.5
64.10916	0.3
65.03917	0.3
67.05514	0.4
69.03429	4.6
70.06598	2.3
71.04996	0.6
72.08160	0.5
73.02907	0.8
76.46533	0.2
81.03428	1.9
81.07050	0.3
83.01334	0.3
84.08136	1.2
85.02905	11.9
86.09690	0.5
87.04465	0.7
91.03951	0.8
91.05482	1.5
92.05035	0.5
95.04973	0.4
97.02290	0.4
97.02895	4.6
98.97582	0.3
99.04424	0.7
101.02382	0.4
101.06066	0.3
109.02871	1.0
110.06051	0.6
110.07168	1.1
112.24627	0.2
115.03969	0.2
116.07070	0.7
119.04923	1.2
120.04446	2.3
120.06504	0.3
121.02857	0.3
127.03934	3.0
130.06512	1.3
132.04437	0.8
132.08034	0.3
136.06258	0.4
136.06416	0.4
136.07567	3.2
144.10130	0.3
145.04967	3.0
147.04323	0.4
148.03929	11.7
148.07613	0.3
157.07628	0.6
158.06030	1.5
159.09149	0.4
160.03944	1.9
162.05513	0.6
162.07794	0.3
163.05864	0.6
175.08698	1.6
176.03429	4.8
176.08990	0.4
178.04956	2.9
186.05580	0.4
187.05879	0.5
194.04492	37.5
195.04851	0.6
203.08115	0.5
204.02820	0.4
204.06593	1.1
204.08438	0.3
205.06949	1.0
206.04504	4.2
207.05193	0.4
220.15794	0.3
221.09206	3.3
222.03972	100.0
223.04274	1.2
234.14838	0.3
252.07187	0.8
252.11020	0.5
254.11546	0.3
272.12442	0.4
279.98199	0.3
298.10556	0.3
316.11450	0.5
384.08902	0.6
384.16544	1.3
390.39734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83345	0.3
53.03948	0.4
55.05511	0.3
55.76523	0.2
56.05009	0.4
56.96582	0.3
57.03413	0.5
61.02924	0.5
69.03442	1.4
69.75317	1.5
70.06576	0.5
72.08135	0.4
73.02921	0.4
76.03999	0.6
81.03417	1.0
84.08144	0.6
85.02906	3.8
87.04475	0.4
87.40906	0.3
91.03943	0.4
97.02873	1.6
99.04483	0.5
105.01878	0.4
105.03341	0.3
109.02899	0.6
110.07158	0.4
120.04504	1.9
127.03901	1.3
129.11420	0.2
144.10287	0.3
145.04942	1.1
146.08115	0.4
148.03928	19.2
155.70238	0.3
176.03401	1.5
194.04492	58.0
195.04767	0.4
217.06207	0.4
222.03970	100.0
223.04361	1.5
292.29675	0.3
316.04062	0.3
356.12173	0.3
366.15710	0.5
384.09146	3.2
384.16583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48674	3.0
55.05493	5.3
59.95044	3.4
67.05499	9.9
69.07071	9.9
70.93465	8.2
72.84269	3.6
79.05492	9.0
81.07061	32.0
89.36073	4.3
91.05482	15.3
93.07063	21.9
95.08612	25.3
105.07027	100.0
106.91257	3.5
107.08606	22.5
109.10149	13.7
119.08590	61.9
121.10135	12.0
131.08635	5.1
133.10143	15.7
133.40376	4.2
135.11707	10.6
147.11656	8.4
149.13219	9.0
154.45724	3.5
159.11697	10.1
161.13269	87.7
163.14787	6.9
175.14828	14.5
189.16380	6.5
191.17943	14.4
192.62036	4.0
203.17914	4.4
298.83203	3.5
365.31943	4.7
383.33224	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.2
56.27923	1.3
57.07071	10.9
67.05506	18.5
69.07071	9.7
69.74454	9.8
71.08604	2.1
79.05487	6.7
81.07056	72.8
83.08649	2.7
88.56104	1.4
91.05465	3.2
93.07048	11.0
95.04997	2.2
95.08609	100.0
96.08938	2.6
97.10182	2.8
98.04493	1.3
105.07059	8.3
107.08597	12.2
109.10152	25.5
119.08569	8.2
121.10160	8.9
123.11705	21.7
131.08546	3.5
133.10136	7.3
135.11717	8.0
137.13258	88.7
138.13593	3.2
143.08562	2.2
145.10117	5.6
147.11725	4.4
149.13272	6.7
151.14845	6.1
159.11687	4.9
161.13277	3.3
162.93697	1.6
163.14832	3.5
171.11691	2.4
173.13214	3.8
175.14853	1.9
177.16353	1.8
179.17960	4.7
185.13228	2.6
187.14882	4.2
198.95058	1.7
203.14424	2.0
205.15889	2.2
205.19453	1.8
213.16435	1.7
215.17990	8.6
227.18002	3.4
229.19626	2.7
231.17479	3.0
233.19012	6.8
241.19460	1.9
245.19061	4.9
302.80392	2.0
365.28143	1.9
365.32074	4.6
383.28720	3.4
383.33057	24.0
384.33228	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	383.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85363	0.7
53.03941	1.2
53.09126	0.7
55.05517	4.5
57.07059	1.3
61.45704	0.8
65.03935	1.1
67.05514	10.0
69.07068	7.4
69.18150	9.2
71.08622	0.7
79.05494	7.4
81.07056	27.1
83.08621	3.8
85.06569	1.1
91.05480	11.3
93.07040	22.1
95.04956	1.7
95.08608	25.4
97.06486	1.0
97.10160	2.0
103.05477	0.8
105.07032	100.0
106.07353	1.8
106.90774	0.8
107.08595	22.5
109.06551	1.0
109.10149	11.8
117.07033	1.7
119.08580	56.0
120.08907	1.2
121.10139	10.9
123.11708	6.4
129.07002	1.0
130.07799	0.8
131.08571	3.6
133.10126	16.9
135.11687	15.9
136.12012	0.8
137.13272	3.5
143.08624	1.4
145.10123	4.1
147.11691	13.6
149.13245	7.1
159.11700	6.6
161.13257	85.8
162.13611	2.1
163.14845	11.8
165.12852	1.3
173.11855	1.6
173.13266	3.4
175.03874	0.9
175.14818	22.2
177.16423	3.4
179.14293	4.0
183.97438	0.8
185.13286	1.2
187.14854	2.5
189.16336	5.3
191.17953	13.9
201.16376	2.9
203.17883	5.1
207.17445	2.8
213.16377	1.0
215.17996	1.9
217.19568	1.9
221.19057	1.3
229.08662	1.2
243.21141	1.0
365.28122	1.3
365.32047	7.9
383.33096	23.9
384.33405	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2943
Annotation	Jaspaquinol
Peak:m/z	Relative Intensity
52.02338	2.4
53.29004	3.1
55.05494	8.6
64.71851	2.2
65.87355	2.7
67.05496	14.0
69.07060	12.6
70.67629	5.3
70.67963	4.9
73.33422	2.8
79.05479	6.1
80.63039	3.2
81.07053	30.1
83.08604	7.7
85.06532	3.4
86.03633	3.0
91.05480	10.0
93.07030	11.1
95.08591	26.7
97.06514	3.5
99.08085	12.1
105.07018	17.2
107.08584	29.9
109.10139	23.4
111.08070	4.7
117.07008	3.4
119.08561	25.1
121.10124	25.2
123.08097	5.0
123.11708	12.1
129.07011	5.9
131.08580	8.0
133.10107	20.4
135.08054	3.9
135.11688	10.7
137.09607	4.0
137.13170	3.5
139.11154	5.5
143.08589	9.1
145.10089	14.2
147.11670	15.4
155.08492	3.7
157.10100	16.7
159.11696	18.2
161.13248	8.0
163.14783	3.5
165.12790	6.1
169.10194	7.0
171.11690	16.9
173.13304	7.7
175.03893	4.6
175.11037	3.5
175.14825	4.0
177.12782	3.9
181.10075	3.4
183.11714	10.0
185.13272	11.5
187.14827	10.0
189.16344	5.1
197.13213	8.8
199.14828	6.9
201.16389	7.2
203.14297	5.0
207.11726	4.3
209.13120	2.9
211.14851	8.2
213.16376	13.0
214.17108	3.4
223.14841	4.6
225.16331	5.7
227.17973	9.3
229.15793	3.6
231.17502	7.1
237.16370	5.1
239.17882	4.3
243.17339	3.1
245.19164	3.3
247.09711	5.1
251.18010	3.6
253.19374	3.5
255.17368	4.2
257.19058	6.3
267.21082	4.4
271.20554	5.4
279.21085	9.1
281.22614	3.1
283.20831	3.5
285.21988	6.1
295.20581	10.6
297.22116	4.0
309.22089	4.7
311.75659	3.1
323.23352	4.7
325.25348	5.6
328.07791	2.8
347.27267	7.3
365.23749	4.4
365.28363	92.5
383.29401	100.0
384.29675	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	383.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03946	1.3
55.05508	5.1
57.07077	1.3
57.22341	0.4
61.26614	0.4
65.03945	0.5
67.05504	9.9
69.03412	0.5
69.07064	6.6
69.48604	3.8
71.04983	0.5
71.08614	0.8
79.05071	0.8
79.05498	7.8
81.07054	28.7
82.07378	0.8
83.08615	3.7
84.84099	0.5
85.06542	0.8
91.05476	11.6
93.07043	20.9
94.07370	0.5
95.04960	1.5
95.08607	26.3
96.08928	0.5
97.06519	1.0
97.10169	1.7
99.08101	0.6
103.05495	1.1
105.07030	100.0
106.07388	1.8
107.08589	23.3
109.06530	1.1
109.10159	12.6
110.10558	0.5
111.08086	0.6
115.48414	0.5
117.07014	2.5
119.08579	52.7
120.08900	1.4
121.10141	13.8
122.10457	0.6
123.08101	1.0
123.11713	5.5
125.09666	0.6
131.08574	4.6
133.10126	17.3
135.08046	0.7
135.11693	16.1
137.09615	0.8
137.13258	2.9
143.08563	1.3
144.09418	0.5
145.10132	5.0
147.11687	14.1
148.12029	0.6
149.13266	8.4
150.13582	0.5
151.11238	1.2
153.12753	0.7
155.08676	0.5
156.09325	0.5
157.10136	1.3
159.11681	8.8
161.13255	84.4
162.13593	2.9
162.38965	0.5
163.11195	0.6
163.14832	10.0
165.12779	0.9
169.09985	0.7
171.11719	1.5
173.11870	0.6
173.13210	4.1
173.33313	0.5
175.14828	19.6
176.15199	1.0
177.12805	1.6
177.16383	3.4
179.14273	3.4
185.13313	1.0
187.14844	3.8
189.16397	4.9
190.16667	0.6
191.17958	13.4
192.18318	0.5
196.29504	0.5
199.14742	0.7
201.16412	3.1
203.17952	5.3
205.15909	1.0
205.19537	0.8
207.17488	1.8
213.16473	1.0
215.17975	1.9
217.01445	0.8
217.19545	1.9
221.19020	0.5
227.18011	0.8
229.19551	1.0
231.21072	0.5
233.19044	0.8
242.02979	0.6
243.21062	1.2
247.06256	1.5
255.20872	0.6
257.22586	0.7
259.20886	0.6
269.22839	0.9
285.22162	0.5
323.16571	0.6
338.10709	0.5
365.28229	1.1
365.32199	5.7
383.29367	2.1
383.33176	27.7
384.33414	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	383.2579
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.02364	4.4
53.03942	6.4
55.05517	19.5
57.03421	4.3
57.07063	12.8
59.04992	7.5
67.05511	44.8
69.03434	18.3
69.07045	10.3
69.15054	2.8
71.04997	6.9
71.53778	4.5
71.54187	4.4
78.77415	3.4
79.05495	29.0
79.36824	3.3
81.07057	42.1
83.04969	8.6
83.08607	5.1
85.06532	10.1
91.05480	42.1
93.07043	100.0
95.04975	31.2
95.08611	40.2
97.06526	15.7
97.10156	3.4
105.07037	90.0
107.08576	44.7
109.06521	29.4
109.10146	31.8
111.08065	9.1
115.05457	3.8
117.07001	10.3
119.08568	51.5
121.06491	12.6
121.10149	59.3
123.08077	28.9
123.11691	5.6
126.67282	3.9
128.06250	7.6
129.06998	9.7
130.07782	3.6
131.08575	38.5
133.06517	7.2
133.10153	25.7
135.08072	21.0
135.11687	8.3
137.09587	12.4
142.07744	18.7
143.08588	19.3
143.28909	3.4
144.09224	4.0
145.10114	38.7
146.07193	4.9
147.08067	24.9
147.11671	18.7
149.09663	24.6
151.07556	35.9
153.09094	4.0
155.08629	7.7
156.09314	9.6
157.10147	45.5
159.08037	10.7
159.11687	13.5
161.09610	24.5
161.13278	12.4
163.11182	8.5
165.09117	34.6
169.10101	7.0
170.10892	7.0
171.11650	9.8
173.00259	3.2
173.09584	11.7
173.13280	10.6
175.03908	10.4
175.11189	21.3
175.14848	8.2
177.05510	4.6
177.09125	13.9
181.10089	4.7
183.11720	9.5
185.13216	16.3
187.11203	7.6
189.12735	10.2
193.10107	3.5
197.13312	7.7
199.11053	3.8
201.12755	11.9
203.14348	31.7
207.11926	5.0
207.13844	15.5
209.13326	8.6
209.15300	4.8
210.42865	3.7
215.14243	6.9
219.13725	6.1
221.13472	3.7
221.15364	84.4
222.15729	3.8
225.12770	5.3
227.14142	4.5
233.15262	5.0
234.16110	15.1
244.37000	4.1
247.09584	10.7
287.19968	7.3
295.13150	5.3
299.20230	6.6
303.19608	4.9
323.59674	4.3
327.19608	4.4
348.22891	3.8
365.24814	10.2
367.96469	3.4
383.25711	59.2
384.14349	3.9
384.25671	4.0
393.83765	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2217
Annotation	(Z)-omega-Hydroxyferulenol
Peak:m/z	Relative Intensity
55.05494	1.9
64.23187	0.8
67.05492	2.1
69.07062	1.4
70.73234	2.1
79.05469	1.9
81.07053	2.0
91.05465	6.4
93.07037	10.0
95.04953	1.1
95.08578	1.1
95.61539	0.8
98.21483	1.0
102.99352	0.8
103.05445	1.1
105.07022	3.6
107.08574	3.3
109.10171	1.2
112.95191	0.8
116.93349	0.9
119.04941	1.3
119.08582	3.1
121.06534	1.2
121.10179	1.1
123.04433	1.3
129.07005	1.4
133.06511	2.5
133.10150	1.7
135.04437	6.9
135.11678	3.3
137.05951	1.1
143.08420	1.1
145.10124	1.3
147.04401	10.5
147.08051	3.5
149.05978	5.5
152.59862	1.2
159.04459	4.4
159.11671	1.6
161.05957	2.8
161.13214	2.3
163.03900	1.5
163.07599	0.9
173.05952	2.3
175.03911	100.0
176.04243	2.1
185.05875	1.0
187.03893	6.9
187.07518	2.6
189.09140	4.5
189.12717	1.1
201.05467	3.0
203.07031	2.2
203.10689	2.1
207.10167	7.1
211.07607	1.2
213.09081	2.7
221.11728	2.5
223.07544	8.0
224.08189	1.6
225.09085	1.5
227.10687	1.7
229.08589	17.6
231.10176	1.0
241.08630	2.0
247.09665	97.0
248.09953	2.6
277.12183	1.1
283.16962	3.7
295.13300	22.8
311.16312	3.6
347.19241	1.0
355.22699	3.0
365.21039	8.8
383.22095	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01866	5.4
55.05510	7.7
57.03429	3.7
57.07074	2.0
59.05010	1.6
62.04408	0.8
67.05505	29.9
68.94127	0.8
69.03426	1.5
69.07069	6.7
70.30260	2.8
71.04138	0.7
71.04982	2.4
71.08650	1.1
74.51254	0.8
79.05499	8.5
81.03416	1.2
81.07054	31.6
81.07532	1.8
83.04975	3.4
83.08609	4.3
85.06542	1.3
91.05492	6.4
93.07041	7.3
95.04980	3.8
95.08598	9.5
97.06550	1.8
97.10128	0.9
99.08123	1.0
103.05501	0.8
104.55704	0.7
105.03397	3.9
105.07030	5.7
107.04927	1.3
107.08598	7.9
109.06526	11.4
109.10155	23.7
111.04443	14.7
111.08073	2.3
117.07012	1.7
119.08594	7.5
121.06438	0.9
121.10149	6.2
123.08070	2.4
123.11710	2.6
125.06009	7.8
127.95380	0.9
131.08519	3.5
133.06532	1.0
133.10117	7.5
135.08051	3.0
135.11684	5.4
137.05977	100.0
137.09592	2.1
137.13235	1.8
138.06339	0.9
142.07887	0.8
143.08588	3.1
145.10132	3.4
147.07964	1.7
147.11673	7.6
149.09598	4.7
149.13287	1.7
151.07535	3.5
151.11145	1.8
157.10115	3.1
159.11688	2.0
161.09647	6.6
161.13263	3.3
163.11165	3.0
163.14819	1.9
165.09109	1.7
167.10583	1.1
171.11632	1.2
173.11743	7.5
173.13295	1.9
175.11182	5.4
175.14792	2.0
179.10649	2.4
185.09595	1.0
185.13246	1.7
189.09135	1.2
189.12714	1.4
193.12189	1.8
199.11063	0.7
203.18008	5.4
205.19510	0.8
212.22826	0.8
213.16399	3.2
221.18997	2.9
223.14861	0.9
224.12860	0.9
230.95856	0.7
231.17433	11.0
237.92308	0.8
241.15714	1.5
243.05023	0.9
249.12245	0.8
249.18512	12.9
252.19481	0.8
258.07584	4.8
262.06430	0.7
277.17993	69.7
278.18243	2.0
286.06958	2.8
295.19043	17.4
330.18005	0.9
351.21808	5.0
383.24506	15.5
384.10086	0.9
384.14508	9.5
384.24539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.7
55.05497	0.5
65.03925	0.6
67.05495	1.5
68.92698	0.4
71.53130	0.4
72.94569	0.4
79.05489	1.0
81.07066	2.9
85.06523	1.2
87.98248	0.4
91.05476	5.2
93.07038	15.8
95.08592	1.2
103.05444	0.9
105.07013	1.5
107.04897	0.5
107.08590	1.2
109.10139	0.7
119.04944	1.6
119.08581	1.2
121.06494	0.6
121.10159	1.0
123.04490	0.4
123.11667	0.9
129.07010	0.4
131.04907	1.1
131.98952	0.4
133.10095	1.0
135.04390	3.0
135.11700	2.7
137.13226	1.2
145.06479	0.5
147.04399	10.5
147.08064	0.7
149.05948	4.6
159.04391	3.5
161.05928	0.5
161.13258	1.9
163.03882	3.3
173.05972	1.6
175.03899	100.0
176.04199	2.4
177.05447	8.6
177.09076	0.7
187.03922	4.7
187.07510	1.5
189.05453	0.9
189.09111	1.3
201.05486	3.4
203.07014	1.8
205.05000	0.6
207.10156	2.7
209.09352	0.4
213.09119	4.6
216.06604	1.0
221.08090	1.8
221.11740	1.6
227.10655	0.5
229.08588	21.7
230.08749	0.5
231.10046	0.9
241.08698	0.5
247.09648	89.9
248.10030	3.9
249.11197	1.3
257.91754	0.4
259.09637	1.0
264.12036	0.4
265.10495	0.8
283.16913	0.6
311.16367	6.0
355.22437	0.5
365.20892	1.6
383.22195	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	383.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01867	5.7
55.05504	2.3
57.03424	4.6
61.02934	1.1
64.03194	1.0
64.54053	0.9
65.03925	1.2
67.05511	5.8
68.99785	6.8
69.03428	100.0
69.07059	2.7
70.03745	1.0
70.06580	4.0
70.32596	1.1
71.04980	2.0
71.53889	2.3
72.08150	2.2
73.02901	1.5
77.03909	1.0
79.01838	1.2
79.05486	11.0
81.03406	11.1
81.07059	11.7
83.04973	2.8
83.08588	1.3
84.08126	1.4
85.02904	13.7
85.06562	1.4
85.93868	1.0
86.09704	1.6
87.00835	5.0
91.05476	12.9
93.07040	20.2
93.63422	0.9
95.04979	8.4
95.08601	7.2
96.00423	0.9
97.02881	6.7
97.06506	3.3
97.60727	1.0
99.04470	4.4
103.05462	1.7
105.01876	2.1
105.03406	3.6
105.07037	12.8
107.04298	1.6
107.04961	17.0
107.08591	16.5
109.02863	5.9
109.06542	4.8
109.10148	4.2
111.00793	1.7
111.04438	13.3
111.08036	1.5
113.05975	1.2
115.05472	1.2
117.07010	2.4
119.04955	7.6
119.08594	7.5
120.08070	1.5
121.02882	4.7
121.06503	6.6
121.10129	7.8
123.04433	3.6
123.08042	2.3
123.11748	1.1
125.05996	7.0
127.03948	4.7
129.01814	1.1
129.05463	1.0
129.07036	2.2
131.04921	3.1
131.08572	3.9
133.02847	1.4
133.06496	3.7
133.10126	4.7
135.04408	40.4
135.05443	2.2
135.08073	1.7
135.11659	7.0
136.04794	1.0
136.07564	2.8
137.09627	1.6
141.01808	2.0
141.07030	1.3
143.08597	3.1
145.06570	2.0
145.10115	3.7
147.04407	21.2
147.08020	2.0
147.11702	7.4
148.04781	1.3
149.05984	4.5
149.13322	1.6
151.03902	1.1
151.07643	1.0
153.01828	14.7
153.05449	2.7
154.02046	1.1
155.08582	1.4
157.10078	2.3
159.02870	1.6
159.08066	2.0
159.11670	3.7
161.06001	3.2
163.03928	4.8
163.11185	4.0
165.01825	21.7
165.12735	5.4
167.89236	1.0
171.02974	1.4
171.04391	2.4
173.09625	2.2
173.13289	2.1
175.03905	4.6
175.11224	2.5
177.01819	5.2
177.05435	5.5
177.12723	3.3
179.03418	3.8
179.10782	1.5
179.55540	1.0
183.02866	16.9
187.11148	1.6
189.01869	1.5
189.05434	4.8
189.12773	1.6
190.06326	1.4
191.03374	9.5
193.04929	3.6
193.08598	1.6
193.12230	1.2
195.02879	8.0
197.13326	1.6
199.03960	1.9
201.12737	1.2
203.03406	17.7
203.10757	1.0
207.02907	3.0
207.06429	1.7
215.14378	1.5
217.04936	18.8
219.02887	6.3
219.13870	2.6
221.04495	12.5
221.08052	13.6
225.12772	1.8
227.03380	1.7
233.06206	1.4
234.06856	1.3
235.05957	2.2
239.05710	1.1
243.13824	8.3
245.04449	67.9
246.04877	1.8
261.14835	13.0
262.06168	1.3
263.05496	95.3
264.05801	4.1
273.07571	1.7
281.06470	2.4
285.07556	8.9
297.07578	5.0
299.05582	1.5
299.09140	1.2
307.05975	2.0
322.08429	1.8
323.09186	6.1
337.11234	1.0
339.08560	2.1
341.10358	1.1
347.14932	3.9
351.08640	3.3
365.10208	20.9
365.15958	3.9
366.10583	1.4
368.08890	1.4
383.11255	14.7
383.16751	3.6
383.25809	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	383.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.9
55.01874	21.1
55.05499	14.8
57.03428	11.6
59.04999	3.8
59.81473	2.8
61.02925	9.2
65.03952	4.8
67.05513	33.1
68.99789	14.6
69.03435	74.3
69.07068	15.9
69.27925	3.0
69.29468	3.5
69.55299	22.6
70.06596	66.6
71.01351	4.6
71.04993	13.1
72.08173	6.4
73.02909	7.5
79.05502	44.0
81.03424	65.5
81.07061	94.1
83.04980	24.0
84.08135	5.6
85.02909	73.9
85.06541	9.6
86.09700	11.4
87.00828	32.9
87.04485	5.7
91.05476	47.6
93.07050	100.0
95.01340	5.2
95.04982	46.8
95.08611	33.1
97.02898	41.4
97.06528	11.5
99.04453	17.5
103.03951	12.7
103.05445	7.0
105.01856	11.0
105.07038	73.7
107.04939	19.2
107.08601	85.8
109.02892	30.6
109.06514	41.6
109.10162	39.0
109.26105	2.9
111.04444	20.1
111.08067	4.9
112.08726	5.2
113.06035	6.2
115.03944	11.6
115.05402	3.9
117.07053	17.2
119.04946	4.7
119.08587	49.6
120.08996	2.8
121.02879	7.3
121.06528	18.9
121.10145	57.7
123.04436	53.7
123.08066	10.8
123.11707	13.5
125.02378	4.3
125.06024	14.8
127.03938	33.5
128.06262	8.9
129.01852	11.4
129.07013	8.8
131.04996	3.3
131.08559	28.5
133.06479	12.3
133.10130	46.6
135.04433	4.1
135.08069	16.8
135.11693	55.1
137.06041	7.7
137.09648	22.2
137.10547	4.3
139.07529	4.5
141.01843	7.6
141.07028	4.9
142.07750	9.7
143.08572	12.3
145.04962	7.3
145.06487	7.0
145.10144	29.8
147.02905	8.5
147.08089	14.9
147.11716	36.8
149.05974	14.9
149.09642	7.1
149.13292	9.4
151.03906	8.4
151.07553	12.7
151.11177	15.5
153.05402	3.4
154.07838	3.2
155.08580	9.4
156.09409	6.0
157.10141	17.7
159.02907	9.0
159.08075	11.9
159.11717	18.5
161.04721	6.7
161.09602	13.9
161.13263	8.2
163.07532	5.8
163.11195	20.5
165.05428	3.7
165.12796	20.8
167.07074	6.8
167.08572	4.7
169.10181	7.1
171.02922	4.6
171.11682	9.0
171.88460	3.3
173.09572	10.7
173.13315	8.5
175.07558	5.8
175.11206	14.4
177.12756	20.8
179.07111	6.1
181.12227	6.3
183.11693	5.9
185.07071	6.5
185.09622	4.2
187.11206	3.6
187.14912	5.3
189.04044	20.6
189.12749	13.6
193.08521	4.2
193.12248	4.9
197.13290	11.3
199.11142	4.9
201.03917	6.0
201.09079	4.7
201.12729	15.1
205.12207	6.0
207.11896	3.3
207.13800	3.6
213.06497	8.8
215.14346	12.1
217.05087	3.9
219.13892	16.1
221.08142	10.6
222.07611	47.0
222.13199	3.0
225.12761	10.2
229.05070	3.5
231.13858	3.9
233.15254	4.7
243.13785	38.5
247.05870	3.8
261.14865	42.7
263.43323	3.6
279.16003	7.9
286.12735	3.6
312.96561	3.9
329.13995	3.7
333.19647	6.6
338.19104	4.2
347.15182	15.7
347.18790	4.6
365.15955	20.1
368.71436	3.4
383.11499	7.1
383.16910	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	383.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01873	1.2
55.05494	1.2
65.62739	0.8
67.05498	2.9
69.03420	2.6
69.07055	1.6
70.06588	1.5
71.07352	2.0
72.04507	2.4
77.85378	0.8
79.05476	2.9
81.03413	2.3
81.07053	4.1
83.04969	0.9
84.04530	0.8
85.02918	1.8
85.06531	1.3
85.49078	0.8
91.05476	2.3
93.07048	1.9
95.04984	4.3
95.08617	2.2
97.02882	1.1
102.03775	1.5
105.03393	100.0
105.07014	2.6
106.03758	1.0
106.21918	0.8
107.04971	1.3
107.08588	2.3
109.02891	1.0
109.10120	1.3
111.08112	1.0
113.05983	1.0
114.03741	3.5
114.09193	1.5
119.08551	1.9
121.06498	1.2
121.10133	2.0
124.07577	1.0
132.04779	2.0
133.10170	1.5
134.06020	9.2
135.11647	1.5
136.06129	0.8
141.83641	0.9
142.08652	3.0
143.08560	1.5
145.10097	1.5
147.04350	1.6
147.11644	1.9
149.09399	0.8
159.11736	0.9
161.09634	0.7
165.03677	1.6
165.09138	0.9
167.07022	1.0
169.10126	0.9
171.11649	1.2
175.03896	1.2
176.07079	30.1
181.10075	1.0
184.09737	1.2
197.13165	1.2
206.05762	0.9
207.06541	1.7
221.08084	4.3
224.07431	0.9
243.13890	1.4
248.08388	0.9
253.10063	38.0
291.10062	1.1
323.12692	1.1
351.12195	1.6
352.13651	0.9
365.15323	16.1
365.25049	1.1
383.11188	2.9
383.14944	3.7
383.25909	1.6
384.14767	1.0
389.12393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	2.4
57.03419	3.0
61.02906	4.9
69.03432	8.5
70.71246	3.1
73.02892	1.6
74.02416	1.9
81.03421	5.8
85.02905	26.7
94.06560	1.8
97.02879	8.6
99.04440	1.6
100.18938	1.0
103.03938	1.4
105.03394	1.4
109.02873	1.9
117.05724	1.5
118.05813	1.2
118.06521	5.7
127.03886	4.4
130.06528	60.8
132.04456	16.2
132.08084	5.8
134.06015	2.0
136.07574	2.2
142.06491	1.9
143.07281	1.2
144.06944	1.4
144.08078	26.5
145.05087	1.9
145.07599	17.2
146.05998	9.6
148.07565	3.6
154.06516	5.6
156.06798	2.1
156.08051	5.4
157.07614	51.8
158.06020	41.3
159.09145	7.9
160.07600	3.3
169.07608	6.3
170.06015	3.2
170.08353	2.8
171.06767	1.5
171.09174	8.3
172.07547	10.2
173.10748	1.7
174.05508	5.4
175.08667	45.1
176.07030	1.4
176.09000	1.3
181.07600	3.6
182.06044	2.0
182.08340	3.3
183.09190	13.8
184.06075	1.7
184.07614	2.6
185.07080	8.5
186.05452	2.8
186.07782	1.9
187.08672	2.1
188.07182	1.1
197.07092	1.5
198.38498	1.2
199.08678	7.5
200.07092	12.7
201.10280	1.2
202.07033	1.6
203.08153	100.0
204.06551	4.0
204.08400	2.4
207.09294	1.2
209.07056	6.4
210.08980	1.2
215.08170	3.1
216.06711	2.1
216.08931	2.2
217.09732	27.5
221.09209	54.9
221.11378	2.6
222.09473	2.1
227.08145	10.6
228.06485	2.3
231.07562	5.8
243.07715	1.4
245.09213	24.1
253.11237	1.1
260.19571	1.1
263.10275	48.8
264.10828	1.4
269.09271	1.4
271.12109	1.9
274.10632	1.3
275.10187	2.1
287.10181	2.6
297.09970	3.0
299.10278	5.8
311.10101	2.2
315.11093	1.4
329.11151	4.1
347.12338	12.2
348.10684	12.3
365.13431	34.3
366.13678	1.6
383.14505	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	383.1123
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
55.05511	2.4
57.03424	0.9
59.04979	0.6
67.05508	13.4
68.99801	0.5
69.03436	0.6
69.07064	2.8
70.06570	0.6
71.04997	0.6
77.33295	0.4
79.01871	1.2
79.05493	2.6
81.03396	0.9
81.07059	4.3
83.04973	0.6
83.08620	0.9
85.02908	0.6
85.06526	1.3
90.95389	0.4
91.05475	2.2
93.07026	2.1
95.04964	1.4
95.08617	2.9
97.06544	0.9
105.07065	2.2
107.04945	1.1
107.08585	1.9
109.06473	0.5
109.10164	9.8
111.08089	1.0
116.71439	0.4
117.07000	0.7
119.08588	2.1
121.06504	0.7
121.10130	1.3
131.04910	0.5
131.08563	1.1
133.10159	1.0
135.04404	0.6
135.11646	0.5
137.02338	0.8
137.09645	0.7
143.08551	0.6
145.10143	0.9
147.04376	0.6
147.11667	0.5
149.05988	1.0
149.13266	0.5
151.03864	2.4
155.10686	0.8
157.10115	0.8
159.07976	0.5
159.11688	1.0
161.05988	0.7
165.12762	0.5
171.11594	0.6
173.06085	0.5
173.11760	2.8
173.13112	0.7
175.03922	1.4
175.14873	0.6
177.01842	0.5
179.03383	0.6
187.03867	1.0
189.05559	0.6
201.05444	0.5
217.04945	1.0
225.16405	0.5
229.05086	0.6
243.06447	0.7
245.04536	0.6
258.05225	1.8
270.05200	1.9
271.06055	0.7
272.06702	1.4
273.18512	0.7
283.05991	2.6
286.04779	2.9
291.19547	0.9
298.04715	8.3
299.05356	4.2
300.06256	3.0
301.06967	3.1
308.06915	0.5
310.04703	5.6
311.05499	13.1
311.08896	0.6
312.09845	0.5
313.07068	21.4
314.07809	1.7
322.08417	2.1
323.09256	3.1
325.07071	13.8
325.11005	0.6
326.07724	0.9
337.10742	1.2
339.08612	1.1
340.09430	6.6
341.09921	0.5
350.07840	2.5
351.08627	0.9
351.12531	0.9
352.09433	0.8
355.11768	20.6
356.11954	0.7
365.10251	1.9
380.67410	0.5
383.11240	100.0
383.24408	4.1
383.29291	1.4
384.11453	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
54.84126	1.4
55.01871	5.0
55.05514	2.1
56.05027	2.4
57.03444	2.8
59.23510	1.3
60.04528	27.8
61.02935	7.1
61.04859	1.9
65.53621	1.3
67.05514	4.0
68.99796	13.4
69.03424	6.5
69.07059	1.5
70.06599	14.9
71.04983	2.6
71.27094	2.5
72.08171	2.9
74.06073	1.7
79.05480	5.7
81.03414	4.5
81.07056	8.6
82.07381	1.5
83.04992	1.7
84.04505	1.9
84.08150	3.5
85.02899	8.3
86.09713	2.2
87.00843	7.3
91.05476	15.3
93.07057	7.3
93.24147	1.6
95.04975	3.9
97.02889	6.3
97.04017	3.7
98.97543	1.6
99.04448	2.2
103.05455	9.3
105.03392	4.1
105.07040	5.2
107.04967	6.5
108.04427	1.8
109.02892	6.1
109.10159	1.7
110.07181	3.4
111.04430	7.9
115.05443	5.0
116.06255	1.6
116.07045	2.4
117.07002	5.3
119.04972	12.2
121.02869	3.5
121.06528	9.2
123.04416	2.5
125.02326	1.6
127.03922	4.2
129.01842	10.6
129.10289	2.3
131.04922	6.8
133.06476	3.7
135.04416	4.5
135.08076	2.3
136.07524	2.0
137.02356	2.8
144.05688	2.0
145.02904	3.6
145.06482	13.1
146.03598	7.4
147.02945	4.0
147.04410	23.6
149.06020	10.8
151.07538	3.0
153.05490	3.1
154.02599	11.0
155.06058	1.6
159.04402	3.6
160.08707	67.6
161.05971	3.0
162.03168	2.3
163.03929	4.9
164.04691	8.6
165.05492	1.9
167.07004	2.3
169.04955	19.1
170.05734	3.4
172.05203	6.4
173.06029	11.2
174.03140	4.8
175.03934	4.3
176.04663	2.6
177.05467	24.2
178.09816	1.8
179.03362	2.9
179.06984	2.2
183.06573	3.6
186.06659	17.4
187.03925	6.7
189.05501	5.5
190.06281	6.6
191.03392	2.1
191.07060	6.0
192.04184	10.5
193.04958	8.7
195.06483	2.8
197.04497	2.9
200.04700	5.9
201.03844	1.7
201.05391	9.4
202.08638	3.4
203.03433	7.7
203.09262	30.5
205.04919	10.5
207.02936	6.1
207.06546	30.6
209.04456	4.5
209.08029	8.5
213.12329	8.0
215.03375	4.0
217.05020	1.5
218.05727	6.9
219.06487	8.6
220.09766	4.9
221.04565	2.3
221.08105	3.5
221.10097	11.5
222.05238	9.1
228.04228	2.4
229.04884	8.1
231.02855	4.7
231.04964	1.7
233.08060	25.0
235.05954	9.5
236.06526	1.7
237.07617	18.6
246.05080	2.1
247.06015	13.7
251.09247	3.0
261.07596	39.4
262.07599	2.1
264.06357	5.3
279.08633	100.0
280.08905	2.6
328.24817	2.0
329.25241	2.4
346.25763	1.7
347.25964	2.1
364.26889	3.3
365.27042	8.0
382.27844	4.7
383.14923	7.1
383.19504	2.9
383.28354	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	382.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98638	0.4
55.03706	0.2
55.40796	0.2
55.58941	0.2
56.96564	8.9
57.97332	0.3
71.50523	0.3
71.87077	0.2
71.95263	1.7
72.08129	0.2
77.48489	0.2
77.81834	0.2
81.07062	0.2
95.98209	0.2
98.97582	68.2
99.97923	0.4
116.00264	0.2
116.98619	65.4
134.99657	45.0
136.00023	0.4
140.00201	2.6
147.04346	0.3
153.00706	8.1
153.29463	0.2
158.01248	3.0
174.97569	0.5
176.02327	0.7
177.00957	0.7
181.97534	0.3
188.99454	0.2
192.98772	0.5
216.98740	1.1
217.98907	0.3
219.02019	0.8
220.02089	0.3
232.96547	0.3
234.99808	2.7
235.99969	0.7
240.98627	5.5
241.98927	0.3
247.04517	0.2
250.97520	0.3
251.97887	0.3
258.01208	0.4
258.99762	53.1
259.99924	3.6
261.00223	0.4
261.03110	0.8
263.02716	0.3
274.97665	0.8
275.97910	0.7
277.00815	100.0
278.01013	6.3
279.01062	1.0
280.30154	0.2
282.01321	4.0
282.99765	1.9
284.00049	1.0
284.99899	0.3
292.98679	0.6
295.01993	1.4
298.97842	0.3
299.98013	0.6
300.02408	7.1
301.00919	4.2
302.01111	1.8
303.00797	0.8
316.98920	1.0
317.98871	1.2
318.98639	0.4
319.01993	0.5
324.02451	0.3
334.92749	0.3
341.02374	0.3
341.23599	0.8
341.99146	0.4
359.01044	0.6
359.24646	0.4
359.99991	1.2
360.99786	0.6
370.56134	0.2
377.02676	0.5
382.99670	1.1
401.00885	4.8
402.01230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
55.05503	4.1
56.05019	4.2
57.03426	2.4
57.07064	1.6
57.14926	1.1
60.04529	100.0
61.02924	2.0
67.05511	10.2
68.05043	1.2
69.03423	4.8
69.07058	4.9
69.75605	0.9
70.06596	7.9
70.64622	3.4
71.05000	5.2
72.04510	2.3
72.08148	2.2
73.02911	0.9
74.06084	2.6
78.35857	1.0
78.99857	0.9
79.05493	10.3
80.05011	2.6
81.03413	4.1
81.07056	23.5
82.06598	2.3
83.04966	1.7
84.04498	2.2
84.08135	3.9
85.02901	9.8
85.06540	5.5
86.06081	1.3
86.09698	2.1
87.04487	1.1
90.05567	1.2
91.05479	9.2
93.07038	9.1
94.06582	1.9
95.04962	4.2
95.08601	8.9
96.08118	1.9
97.02886	4.5
97.06519	2.8
98.06068	1.6
99.08096	9.4
102.05554	1.8
105.01803	1.2
105.03396	1.8
105.07050	6.4
107.04945	2.1
107.08592	4.8
108.08162	1.6
109.02872	2.7
109.06519	1.4
109.10138	2.5
110.07185	1.4
111.08063	1.4
112.07561	1.1
116.07086	1.9
117.07011	2.0
119.04979	1.2
119.08573	6.6
120.08099	4.4
121.02884	4.6
121.06513	1.9
121.10160	3.7
123.08044	1.0
124.03987	1.5
124.07592	1.4
125.09630	1.3
127.03918	3.5
129.10275	1.9
131.04935	1.3
131.08546	5.1
133.10123	4.1
135.08020	1.7
135.10170	1.2
135.11705	2.4
136.06201	1.4
136.07578	1.2
137.09598	1.1
143.08525	2.2
145.10149	2.7
147.11638	2.2
148.05261	1.7
149.09578	1.1
156.10162	1.2
159.06847	3.2
159.11662	2.0
160.07571	3.5
160.08727	1.6
161.13257	2.1
166.08592	1.5
169.41972	1.2
172.07613	2.2
173.08383	2.5
179.10741	1.8
184.07677	1.6
189.08804	1.7
196.13364	1.3
202.08638	24.6
203.09010	2.5
204.06691	1.1
213.12360	1.6
214.14293	1.7
217.08258	1.1
219.67717	1.0
220.09698	50.4
220.11838	2.1
221.10017	2.4
292.22842	3.1
310.23773	6.1
325.26300	0.9
328.24838	14.5
346.25842	19.9
352.24814	1.0
364.26907	52.9
365.26843	1.0
382.14880	17.4
382.27997	62.1
383.14920	1.6
383.28342	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.7
55.01856	13.1
55.05518	34.1
57.03422	7.9
57.07061	8.7
61.97631	4.3
67.05504	100.0
69.03431	8.4
69.07072	65.7
69.96495	25.4
70.06606	6.1
71.04989	11.7
79.05151	4.4
79.05506	57.5
81.03410	13.0
81.07059	95.7
83.04957	13.2
83.08629	11.1
86.09682	6.3
91.05481	60.4
93.07043	52.8
95.04983	24.0
95.08606	54.3
96.01577	4.4
97.02873	9.7
97.06506	18.9
98.09675	16.7
105.07042	47.8
107.04945	13.4
107.08574	32.1
109.06512	13.0
109.10164	43.3
111.04387	6.0
111.08074	6.0
115.03938	13.2
117.06995	22.0
119.08609	35.5
121.10126	31.8
123.04410	14.9
123.08046	20.2
123.11694	14.0
125.02368	5.3
127.03922	25.5
129.07031	7.2
131.08582	27.3
133.06456	11.2
133.10123	21.5
135.08078	15.1
135.11647	13.5
137.09593	17.2
143.08537	11.3
145.10100	17.8
147.11699	11.7
149.13237	7.7
151.11125	8.7
153.09030	6.9
155.08560	7.2
157.10138	8.1
159.11684	13.6
161.13220	8.3
169.08655	6.1
171.11714	12.4
173.11794	5.8
173.13254	10.9
179.10713	9.2
183.11729	7.3
185.13365	10.1
187.20662	5.5
189.12662	6.4
201.13037	5.7
207.10159	6.2
217.12204	5.5
225.11160	7.3
251.39830	5.3
273.14859	6.9
311.19870	10.5
329.17548	8.9
329.21179	18.8
347.22238	9.0
353.94269	5.1
364.12415	10.1
368.08899	6.4
382.13522	76.1
382.27881	6.0
383.10965	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24871	4.3
54.05396	4.1
59.92041	3.9
69.94652	23.9
98.20763	9.6
179.73807	4.1
185.09668	7.4
196.62216	4.5
201.09106	12.7
213.09056	28.9
214.06299	5.5
227.10684	9.6
237.12697	9.7
240.11470	9.9
249.78432	4.5
255.09958	5.5
255.10800	5.2
255.13823	98.5
256.14297	7.4
269.15295	6.4
273.14850	25.6
297.14835	32.7
313.18613	4.5
315.15836	14.6
319.76413	4.1
329.17468	100.0
336.78336	4.1
354.55820	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	382.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.7
55.01856	13.1
55.05518	34.1
57.03422	7.9
57.07061	8.7
61.97631	4.3
67.05504	100.0
69.03431	8.4
69.07072	65.7
69.96495	25.4
70.06606	6.1
71.04989	11.7
79.05151	4.4
79.05506	57.5
81.03410	13.0
81.07059	95.7
83.04957	13.2
83.08629	11.1
86.09682	6.3
91.05481	60.4
93.07043	52.8
95.04983	24.0
95.08606	54.3
96.01577	4.4
97.02873	9.7
97.06506	18.9
98.09675	16.7
105.07042	47.8
107.04945	13.4
107.08574	32.1
109.06512	13.0
109.10164	43.3
111.04387	6.0
111.08074	6.0
115.03938	13.2
117.06995	22.0
119.08609	35.5
121.10126	31.8
123.04410	14.9
123.08046	20.2
123.11694	14.0
125.02368	5.3
127.03922	25.5
129.07031	7.2
131.08582	27.3
133.06456	11.2
133.10123	21.5
135.08078	15.1
135.11647	13.5
137.09593	17.2
143.08537	11.3
145.10100	17.8
147.11699	11.7
149.13237	7.7
151.11125	8.7
153.09030	6.9
155.08560	7.2
157.10138	8.1
159.11684	13.6
161.13220	8.3
169.08655	6.1
171.11714	12.4
173.11794	5.8
173.13254	10.9
179.10713	9.2
183.11729	7.3
185.13365	10.1
187.20662	5.5
189.12662	6.4
201.13037	5.7
207.10159	6.2
217.12204	5.5
225.11160	7.3
251.39830	5.3
273.14859	6.9
311.19870	10.5
329.17548	8.9
329.21179	18.8
347.22238	9.0
353.94269	5.1
364.12415	10.1
368.08899	6.4
382.13522	76.1
382.27881	6.0
383.10965	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01861	0.6
55.05508	0.5
56.05029	0.4
57.03435	0.7
59.04996	0.3
60.04531	2.0
61.02930	0.3
67.05506	1.0
69.03430	2.2
69.07066	0.6
70.06591	2.5
70.88793	0.5
71.01335	0.2
71.04989	0.7
72.08153	0.9
73.02921	0.3
74.06085	0.3
79.05491	0.7
81.03417	0.9
81.07047	1.7
82.06579	0.7
83.04975	0.4
83.06078	0.2
84.04488	0.4
84.08142	67.2
85.02905	2.5
85.06535	0.3
85.08472	0.5
86.00605	0.2
86.09698	2.4
87.00807	0.5
87.04475	0.3
87.05559	0.2
91.05478	0.9
93.07046	0.8
95.01313	0.3
95.04964	2.2
95.06086	0.3
97.02892	1.4
98.06059	0.2
99.04478	1.0
99.08088	0.8
100.02179	0.4
105.01860	0.5
105.03379	1.4
105.06981	0.2
106.06570	0.3
107.04953	0.3
107.08592	0.7
109.02856	0.9
109.06503	1.5
109.10224	0.3
110.06057	0.3
110.07165	4.9
112.48419	0.2
115.08680	0.3
116.07088	0.3
117.09137	0.6
119.08614	0.3
120.08096	1.6
121.06494	0.4
121.10126	0.4
123.08070	0.3
124.04035	0.2
127.03927	1.4
132.04370	0.3
134.06177	0.2
135.11606	0.3
136.06186	0.5
136.07571	0.9
137.05971	1.5
138.06560	0.2
139.07547	0.6
144.10193	100.0
145.02800	0.2
145.04968	0.5
145.10548	1.8
146.06033	0.7
153.12767	1.0
156.04893	0.3
156.07785	0.6
159.09169	0.9
161.04832	0.2
161.10796	0.5
165.05414	1.5
167.06976	0.2
167.10600	0.3
173.10806	0.2
173.12840	1.0
174.05577	0.3
174.09200	0.4
175.09528	0.2
176.07008	0.3
178.13368	0.6
183.06416	0.2
185.11760	0.3
188.07060	0.4
190.60402	0.2
192.06635	0.3
193.04974	0.2
201.12224	0.5
202.05569	0.3
202.08629	9.5
202.10600	0.4
203.09013	0.3
204.06580	1.1
204.08363	0.2
205.09734	0.7
207.06465	0.3
213.04042	0.3
218.11749	0.6
219.12038	0.6
220.06596	1.2
220.09688	11.6
220.11945	0.7
221.10027	0.5
223.15506	1.1
250.07179	0.6
251.14958	1.0
269.16187	0.2
275.14053	0.2
288.08481	0.3
289.62094	0.2
290.06509	0.5
299.59784	0.2
314.16962	0.3
319.82547	0.2
320.07654	0.5
320.22037	0.4
323.13083	0.2
325.45840	0.2
334.15137	0.2
336.15665	0.2
360.21158	0.2
364.20419	0.3
364.26575	0.4
382.17029	2.5
382.22192	25.7
382.27612	1.4
383.22522	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1706
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
56.96560	3.4
59.04995	2.7
59.86251	1.7
60.04529	3.8
63.28331	1.5
66.31189	1.7
67.05474	2.1
67.80893	1.6
69.03423	3.1
69.07056	2.8
69.21339	1.7
69.58357	1.9
70.02956	2.2
70.06568	3.3
71.04976	1.8
71.09222	5.0
72.04503	9.0
73.02920	2.4
79.07843	1.9
81.03373	1.9
83.04992	2.2
85.02898	5.1
85.06546	8.2
86.09708	2.8
90.05559	67.3
95.04978	3.6
97.02916	2.4
98.02414	8.1
103.07579	4.3
108.76775	1.9
110.07133	1.9
111.92764	1.7
116.03463	7.2
120.08116	2.6
124.07578	9.5
127.03868	2.6
142.08624	3.9
147.25861	2.2
160.09686	2.8
184.09697	13.7
202.10768	24.7
220.11803	100.0
263.12280	2.1
304.04224	2.1
330.04776	1.8
389.39047	2.1
390.00421	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.05509	4.6
56.05036	2.3
57.03437	2.6
59.05012	1.4
60.04528	45.0
61.02916	1.4
67.05500	6.1
68.99776	1.2
69.03429	7.9
69.07059	3.2
69.43172	8.3
70.06593	14.9
71.04987	3.3
71.06915	1.5
72.08167	6.1
74.06084	3.4
79.05499	5.1
81.03426	7.8
81.07050	8.8
82.06576	2.1
83.04974	2.3
83.08615	1.6
84.04488	3.5
84.08135	7.7
85.02902	14.1
85.06528	3.2
86.09699	15.8
87.00819	4.7
87.04438	1.0
91.05489	5.8
93.07050	4.8
95.04960	2.3
95.08598	3.8
97.02869	7.3
97.06533	1.8
99.04465	3.5
99.08092	100.0
100.08417	1.2
102.05575	1.6
105.01855	2.8
105.07027	3.6
107.04945	1.8
107.08587	4.1
108.05582	1.1
109.02870	5.9
109.06509	1.7
109.10164	2.3
110.07169	7.7
112.08743	1.2
113.06046	2.0
116.07066	1.5
117.06986	1.3
117.09122	10.2
119.04978	1.0
119.08620	2.8
120.08120	3.8
121.02867	1.2
121.10143	3.4
123.08119	1.4
124.07586	1.4
125.09608	1.3
126.05499	1.3
127.03921	8.8
129.10258	4.3
131.08546	1.8
133.10146	1.7
135.11668	1.8
136.05142	1.2
136.06189	1.9
136.07573	5.9
139.11200	1.2
144.10179	2.3
145.04951	3.0
145.10155	1.3
146.06013	1.1
147.04375	1.3
149.09662	1.5
156.07748	3.8
167.10707	3.1
173.08345	1.3
173.12871	3.6
174.05443	1.1
176.07069	1.4
182.08186	2.0
185.11731	4.4
186.09181	2.6
186.84000	1.0
192.10223	1.1
201.12376	2.4
202.08629	33.4
203.08917	1.6
203.12883	2.5
204.10205	1.1
204.87567	0.9
205.10609	1.0
206.11127	1.1
213.12369	1.3
218.08220	1.9
220.06316	1.7
220.09685	40.2
231.05008	1.5
239.05867	1.0
269.11200	1.3
292.22690	1.1
309.78891	1.0
310.23694	2.4
314.16882	2.3
328.24808	3.6
332.17953	1.5
332.51648	1.0
346.25998	5.4
364.20593	2.9
364.26883	16.0
382.14780	10.3
382.21857	4.7
382.27991	36.6
399.10272	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
53.91478	1.4
55.01865	4.3
55.05510	10.5
56.05039	9.2
56.96549	2.0
57.03425	4.5
57.07071	1.5
59.05011	2.2
60.04527	100.0
61.01150	2.0
61.02899	1.7
63.19788	1.6
67.05507	11.5
67.43299	1.4
68.05019	2.6
69.03429	12.7
69.07059	5.5
69.58336	1.3
69.88133	6.5
70.02943	1.7
70.06593	35.1
71.05002	6.7
71.06924	2.7
72.08151	19.8
73.02922	3.5
74.06075	6.8
79.05492	11.6
80.05023	2.6
81.03428	8.2
81.06592	2.0
81.07047	22.1
82.06584	2.2
82.07377	1.5
83.04977	3.8
83.06063	1.3
83.08600	5.4
84.04502	7.8
84.08138	20.8
85.02901	19.0
85.06531	5.9
85.40610	1.3
86.09218	2.0
86.09705	22.5
87.00841	7.1
87.05573	1.9
88.03993	1.7
91.05480	11.7
93.07018	10.1
94.06541	2.9
95.04950	3.9
95.08607	8.1
97.02888	11.1
97.06512	4.5
98.20821	1.7
99.04443	3.3
99.08089	49.0
100.07602	1.9
101.05990	2.7
102.05553	2.9
105.01854	8.1
105.03388	4.7
105.07008	4.9
106.06572	1.3
106.80704	1.4
107.04941	2.9
107.08602	6.8
108.08134	2.5
109.02885	7.7
109.10148	4.5
110.07159	6.9
110.09737	1.6
112.07603	3.3
112.08722	1.7
115.03899	1.4
116.07094	2.9
117.07021	3.5
117.09114	9.5
119.04960	3.2
119.08584	4.5
120.08098	13.8
121.02901	1.8
121.06522	2.2
121.08427	1.3
121.10172	4.3
123.08086	1.9
125.09604	2.9
126.05481	1.9
127.03917	10.5
128.53394	1.6
129.06950	1.3
129.10251	10.6
131.08667	2.9
133.06514	1.5
133.10130	4.6
134.06081	1.9
135.11684	2.2
136.06128	1.9
136.07585	8.4
137.09642	2.2
138.09123	1.7
139.11128	1.8
144.10161	3.2
145.04950	4.0
147.04352	2.9
147.11639	1.9
151.03845	1.9
156.07744	3.1
157.10089	1.8
159.02911	2.1
159.11598	1.8
160.07610	2.0
161.09604	1.6
161.13293	2.0
162.05472	2.2
165.05455	2.0
167.10645	2.0
173.13022	1.6
176.07062	3.2
177.05493	3.2
180.15303	1.6
182.08127	1.9
185.11682	4.0
202.08546	21.0
203.10701	2.3
203.12578	1.8
205.10159	2.0
214.12585	1.4
218.08057	1.9
220.06215	2.4
220.09666	33.8
220.13359	4.0
226.06645	1.4
251.10526	1.6
255.53442	1.7
269.11038	1.6
292.22760	3.7
310.23676	6.9
314.16891	3.2
328.21323	1.6
328.24591	7.6
346.25897	13.6
364.20401	4.7
364.26880	31.6
382.14648	7.0
382.27966	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
56.96571	2.2
57.03404	0.5
59.26664	0.5
60.04526	1.4
69.03425	1.8
69.07070	1.2
70.02966	0.4
70.05128	0.5
70.06596	3.2
71.51664	0.6
72.04520	1.8
72.08163	3.7
72.77012	0.5
73.02918	1.1
74.06094	2.5
79.05494	0.7
81.03423	1.1
81.07040	0.7
84.04519	1.1
84.08136	1.9
85.02903	2.4
85.06534	1.0
86.09700	2.6
87.00810	0.5
88.04001	0.7
90.05566	5.1
91.05486	1.9
95.04981	0.7
97.02892	1.1
97.06515	0.6
98.02438	1.0
99.04440	0.8
99.08092	2.1
102.05552	1.2
105.01902	0.6
105.03391	1.0
109.02895	1.6
110.07166	1.5
116.03468	1.2
116.07064	1.3
119.04936	1.2
120.06570	1.1
120.08105	2.3
124.07591	1.4
127.03905	1.7
130.06450	0.5
136.07567	10.1
140.91331	0.4
142.08655	0.9
144.06589	1.4
145.04977	0.8
146.06010	0.5
146.09738	0.6
147.04330	0.5
148.01857	0.5
148.43822	0.4
156.07700	1.5
160.07613	0.5
161.04684	0.5
162.05511	0.5
174.05502	3.4
176.07014	0.7
178.05014	1.0
184.09744	1.3
199.05960	0.5
202.08636	97.3
203.09036	2.2
220.09700	100.0
220.11696	6.5
221.10034	3.4
235.14439	2.9
237.02881	0.4
249.15970	0.6
253.11087	1.3
263.13989	1.0
269.10535	0.5
270.10913	0.6
271.12207	1.6
296.08997	1.0
297.10074	1.2
315.11050	0.8
328.13870	1.1
332.17914	0.7
346.15161	0.5
364.15817	0.8
382.14926	30.4
383.15207	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	382.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.05509	0.5
56.04306	0.3
56.05033	0.5
56.96549	0.4
57.03421	0.9
58.39960	0.3
58.58577	0.3
59.41191	0.3
60.04528	4.0
61.02902	0.5
67.05498	1.0
69.03429	2.5
69.07054	0.7
70.06590	5.6
71.04980	1.1
71.52541	0.5
72.08163	1.5
73.02920	0.3
79.05470	0.5
81.02987	0.3
81.03381	1.5
81.07056	1.5
83.06094	1.3
83.06544	0.3
84.04497	1.1
84.08142	24.0
85.02912	3.3
86.09697	6.3
86.56586	0.3
87.00808	0.4
87.04443	0.3
87.05576	0.6
91.05473	1.3
93.04541	0.9
93.07036	1.1
95.04960	1.3
95.06100	0.9
95.08598	0.5
96.08072	0.3
97.02908	1.7
97.06507	0.4
99.04450	1.6
99.08064	1.5
100.74117	0.3
102.05544	0.4
105.01855	0.6
105.03387	1.3
105.07043	0.4
107.04941	0.6
107.08575	0.7
109.02872	1.1
109.06513	0.6
110.07166	11.9
112.07668	0.4
112.08698	0.6
115.08678	0.3
116.07069	0.6
117.05524	0.4
117.09124	0.7
119.04993	0.3
119.08595	0.7
120.08092	3.8
121.02845	0.5
121.08441	0.4
124.07581	0.3
127.03886	1.7
129.07042	0.5
129.10233	1.1
130.04953	0.3
130.06494	0.5
132.04425	1.0
135.11653	0.4
136.07561	0.8
137.06024	0.5
138.06630	0.6
144.10196	33.9
145.04892	0.5
146.06009	1.9
147.04401	0.6
152.07025	0.6
153.12738	0.8
156.07753	1.2
159.09154	0.9
160.03938	1.0
160.07559	0.5
161.10785	0.5
165.05476	0.9
166.06216	0.5
167.10672	0.5
173.12846	3.1
174.05508	1.3
174.09128	0.5
175.06178	0.4
175.11922	0.3
176.07091	1.7
177.10236	0.8
178.13385	2.0
181.04944	0.4
184.07555	0.8
186.05534	0.6
188.07048	0.9
192.06622	0.6
194.08174	0.4
195.08466	0.5
201.12317	0.7
202.08627	80.1
203.08907	2.1
204.06587	1.4
205.09706	0.9
207.06543	0.7
213.09555	0.4
218.08025	0.3
220.09683	100.0
221.08029	0.4
221.10039	2.5
223.15555	2.5
231.05058	0.4
232.03586	0.4
245.75710	0.3
247.06061	0.6
250.07132	1.4
251.14957	3.7
269.15994	0.7
272.11154	0.3
290.06488	0.8
320.07626	0.5
346.25824	0.5
364.06567	0.9
364.15643	0.6
364.26855	0.7
381.72360	1.4
382.15216	7.6
382.22275	10.6
382.27963	2.2
383.15247	0.5
383.48651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.6
55.05495	9.3
65.24195	2.3
67.05512	13.8
69.03419	5.6
69.07060	12.3
69.33666	11.4
69.34093	13.9
79.05500	17.5
81.06609	3.1
81.07059	43.6
83.08611	3.9
91.05479	27.0
93.07040	34.0
95.04933	3.5
95.08602	38.5
105.06393	4.3
105.07030	39.7
107.08586	41.3
109.06519	12.2
109.10157	24.6
111.08110	2.9
115.05344	2.7
117.07027	10.9
119.08579	50.0
121.10150	35.8
123.08057	3.3
123.11712	20.0
128.06226	4.5
129.04866	3.0
129.07008	5.8
131.08554	20.1
133.10124	37.8
135.08075	7.1
135.11673	15.9
137.13234	4.7
141.07001	3.9
142.07741	3.2
143.08572	11.6
145.10127	30.6
147.08078	4.5
147.11659	28.0
149.09592	9.6
149.13264	9.4
155.08588	6.9
157.10143	12.7
159.11702	18.8
161.09607	10.9
161.13263	12.2
163.11176	4.6
163.14719	3.7
167.08669	3.0
169.10104	7.3
171.11719	13.2
173.09648	5.4
173.13203	14.3
175.11150	7.3
175.14832	11.3
177.12654	3.6
177.16400	4.5
181.10173	3.9
183.11710	7.1
185.13290	12.2
187.11206	5.1
187.14825	13.9
189.12720	5.4
189.16350	14.1
191.10625	6.2
193.12257	5.4
195.11668	2.8
197.13298	7.7
199.14799	10.8
201.16312	16.9
203.14261	2.8
203.17928	7.4
209.13300	5.3
211.14827	5.9
213.16502	5.0
215.14290	4.0
215.17976	7.0
217.15836	3.3
221.13242	2.8
225.16309	3.7
227.14288	4.9
227.17902	2.7
237.16359	2.5
239.17987	3.9
241.19402	3.1
245.15454	3.0
257.22665	3.2
259.17206	2.6
279.81863	2.6
285.18622	3.6
290.36887	2.6
295.24329	6.1
319.24127	4.0
337.25223	7.6
363.26782	23.7
381.27866	100.0
382.28235	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	381.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
55.01850	2.7
55.05491	7.7
65.03925	4.1
67.05507	43.5
68.01145	1.9
69.03431	100.0
69.07071	13.3
69.31229	13.3
69.31647	4.4
71.04967	2.5
72.08131	3.6
75.33168	1.9
79.05088	2.1
79.05503	21.4
81.03415	4.6
81.07056	23.9
83.04963	2.9
83.08605	7.1
85.06548	2.9
91.05472	13.0
93.07034	19.1
95.04967	89.7
95.08040	1.5
95.08604	32.0
95.09551	2.1
97.06547	3.2
97.10172	2.2
99.08085	2.5
102.19406	1.7
105.07037	22.8
107.04964	10.8
107.08587	27.8
109.06499	7.8
109.10159	20.1
111.08059	3.1
113.02155	1.8
117.07010	4.5
119.08590	25.3
121.06537	2.1
121.10145	20.3
123.08054	8.1
123.11705	9.6
125.09621	3.4
129.07018	4.1
131.08571	12.8
133.10103	17.5
135.08057	12.5
135.11652	9.7
137.09602	4.1
142.07727	2.4
143.08537	8.3
145.10104	19.5
147.08055	3.4
147.11676	10.9
149.09628	2.9
149.13300	5.8
151.11157	3.9
155.08485	2.6
156.09357	3.3
157.10121	11.6
158.92418	2.0
159.11693	14.6
161.09598	8.4
161.13261	12.2
163.11143	3.8
163.14804	2.5
169.10100	6.7
171.11674	8.9
173.09512	2.3
173.13234	9.8
175.11159	3.8
175.14780	4.6
177.12727	4.1
181.10127	2.7
183.11679	7.5
185.13210	12.1
187.14842	19.2
189.12819	2.2
189.16400	5.4
195.11745	7.1
197.13232	4.6
199.14819	7.7
201.16386	7.0
203.14323	4.7
207.11710	2.7
209.13342	6.1
211.14763	8.1
213.16383	4.6
215.17868	3.9
223.14697	4.0
225.16341	9.2
226.16896	2.1
227.17964	4.8
229.16026	5.0
231.17436	2.8
237.16402	4.3
239.17928	2.9
241.15948	2.5
243.17439	2.5
245.19063	4.2
251.17888	2.3
255.21132	2.7
257.18997	4.4
259.20636	6.1
265.19473	2.1
267.17450	3.0
269.18900	4.3
277.19550	4.6
279.17773	2.1
279.21133	3.1
281.19080	2.3
283.20593	3.9
287.23389	2.0
289.92450	1.9
293.19003	3.4
293.22339	2.7
295.20593	6.4
295.24164	9.7
297.22186	1.9
309.21902	2.3
311.23520	5.8
313.25302	11.4
319.24133	3.2
321.22021	2.7
323.23810	3.1
337.25211	12.0
339.26709	2.8
345.25757	2.6
351.26718	2.5
363.26807	29.0
364.26883	2.4
381.27811	98.4
382.28125	9.9
390.20117	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
53.24898	1.5
54.57967	1.5
55.05523	8.1
57.07067	2.2
58.46986	1.8
67.05507	15.6
69.03423	6.0
69.07069	12.0
70.49592	5.3
79.05488	19.0
81.03408	2.4
81.06591	2.9
81.07057	53.0
83.08628	2.5
86.96683	1.5
91.05478	24.0
93.07038	26.6
95.04966	6.7
95.08057	2.9
95.08611	33.3
97.06503	2.1
105.07034	32.6
107.04952	2.7
107.08598	35.9
109.06513	17.3
109.09470	2.3
109.10157	27.5
111.11663	1.5
115.05434	2.9
117.07020	12.5
119.08583	50.8
120.08852	2.0
121.06482	3.3
121.10152	27.1
123.08060	2.3
123.11719	22.3
128.06168	1.7
129.07019	8.6
130.07782	2.2
131.08580	18.2
133.10126	29.3
135.08051	6.8
135.11688	13.2
137.05934	2.7
137.13235	3.9
141.07030	3.8
142.07816	2.4
143.08540	12.7
145.10115	25.4
147.08095	1.8
147.11691	18.5
149.09630	11.5
149.13252	3.8
151.11203	3.5
153.07077	1.9
155.08600	5.1
156.09250	2.0
157.10146	12.5
158.10869	2.0
159.08104	3.8
159.11682	20.3
161.09627	12.4
161.13283	12.7
163.11188	5.0
163.14835	5.3
167.08522	2.1
169.10114	5.7
171.08073	2.1
171.11673	13.5
173.09630	7.3
173.13257	17.8
175.11191	7.7
175.14792	10.9
177.12712	2.1
177.16365	2.1
181.10069	4.1
183.11691	6.3
185.09715	2.3
185.13289	8.4
187.11212	2.1
187.14815	12.7
189.12721	2.6
189.16345	10.1
191.10698	5.4
193.12238	4.6
195.11763	2.8
195.53339	1.6
197.13231	4.2
199.11104	2.1
199.14798	11.5
200.15376	1.7
201.05460	4.6
201.12804	1.9
201.16388	11.0
203.14290	3.6
203.17934	5.1
205.15967	1.9
207.11580	2.4
209.13235	4.6
211.14745	3.6
213.12770	3.3
213.16357	4.4
215.14328	2.6
215.17943	7.4
217.15889	3.0
223.14822	2.8
225.16347	3.9
227.14337	3.5
227.18076	2.4
229.15880	2.9
229.19528	3.0
235.14810	2.3
237.16444	2.6
239.17807	2.1
241.08536	2.3
241.15852	1.9
241.19598	1.8
243.17668	2.0
245.15393	4.2
249.16562	2.0
251.17902	2.3
253.15732	2.6
253.19440	2.0
255.10300	2.0
257.22586	2.3
259.09708	6.5
267.17319	3.3
273.11237	7.3
273.22226	1.6
285.18463	4.2
293.19177	1.7
295.24207	3.8
307.20490	1.8
308.60928	1.9
319.24188	5.2
321.25970	2.8
325.14352	4.5
337.25092	8.0
345.25668	3.0
353.28271	2.2
363.26764	31.5
381.20331	4.7
381.27890	100.0
382.28302	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.05506	6.4
57.07072	2.4
60.65223	1.2
67.05511	13.2
69.03428	2.9
69.07069	11.6
69.95796	6.5
73.80447	1.2
79.05500	12.7
81.03403	2.0
81.07058	31.8
81.30601	1.2
83.04977	1.7
83.08615	5.0
91.05483	19.7
93.07048	22.8
95.04955	4.6
95.08609	34.3
97.06577	1.7
97.10149	1.8
103.05407	1.3
105.07030	29.8
107.04958	2.1
107.08595	28.2
109.06533	5.6
109.10166	22.1
111.08089	1.6
111.11740	1.5
115.05453	2.1
117.06994	10.5
119.08587	32.9
121.06528	2.4
121.10146	23.1
123.08060	2.4
123.11710	22.4
128.06281	1.7
129.06960	6.6
131.08571	22.4
133.06488	1.2
133.10138	27.2
135.08031	5.0
135.11705	10.8
137.09636	2.4
137.13252	3.5
141.06975	3.0
142.07784	2.7
143.08548	10.1
145.06432	1.4
145.10121	23.1
147.08051	4.0
147.11693	19.0
149.09605	3.8
149.13258	5.1
151.11189	2.1
155.08585	4.6
156.09352	1.3
157.10124	10.7
158.10832	1.3
159.11688	16.4
161.09619	10.7
161.13220	9.2
163.11172	2.9
163.14845	4.3
167.08501	2.0
167.76953	1.3
169.10130	4.6
171.11694	12.3
172.12390	1.3
173.09650	5.0
173.13275	15.8
175.11209	7.4
175.14810	10.5
177.12729	2.9
177.16411	2.7
181.10107	4.4
183.11731	8.3
185.13277	7.0
187.07581	1.9
187.11211	2.7
187.14864	9.6
189.12737	3.6
189.16357	9.9
191.10704	2.7
191.14392	1.9
193.10083	2.1
195.11717	4.6
197.13281	5.6
199.11314	1.2
199.14815	9.0
201.12733	4.0
201.16415	11.6
203.14346	3.7
203.17993	3.5
207.11719	1.9
209.13255	4.0
211.14746	3.2
213.12737	1.5
213.16429	5.0
215.14398	3.0
215.18016	3.7
217.15926	3.8
221.13298	2.2
223.14729	2.2
225.16408	4.5
227.14299	3.7
227.17911	3.0
229.15897	1.8
229.19485	2.1
231.17525	2.5
235.14816	2.7
237.16435	4.9
239.14343	1.6
239.18004	2.8
241.15846	4.5
243.13840	2.8
245.15309	6.0
245.19096	1.6
249.16409	3.9
251.17830	2.1
253.15915	2.7
255.17450	2.2
255.21080	2.7
263.17981	2.0
267.17575	3.6
275.17947	1.6
279.17462	1.4
279.20990	1.5
281.19009	2.1
285.18414	3.8
293.18948	3.2
294.19196	1.5
295.24255	1.5
297.18484	2.0
307.20459	1.5
311.20361	1.4
319.24136	7.8
321.25992	2.5
335.27325	2.3
337.25214	19.0
345.25763	4.1
353.28430	1.7
363.26804	36.5
364.27167	2.5
381.27872	100.0
382.28183	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	381.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01878	2.1
55.05498	6.5
57.07063	2.9
57.84156	1.8
67.05505	18.5
67.74161	1.8
69.03415	4.6
69.07066	13.6
70.28531	7.0
79.05485	22.1
81.03418	3.6
81.07056	36.0
83.05003	1.9
83.08605	5.8
85.06530	2.2
91.05476	30.2
93.06482	2.6
93.07041	35.9
95.04944	7.5
95.08067	2.9
95.08611	40.8
97.06510	5.0
97.10175	2.0
103.05457	1.8
105.07036	39.7
107.04964	3.1
107.08586	37.5
109.06503	7.7
109.10157	28.4
115.05485	3.9
117.07024	13.5
119.08570	50.7
121.06505	5.1
121.10144	35.3
123.08082	3.0
123.11700	23.2
128.06207	4.2
129.06985	9.0
130.07767	2.6
131.08543	29.7
133.06448	3.1
133.10124	35.3
135.08044	6.7
135.11671	13.2
137.09622	2.7
137.13234	4.7
141.06958	2.2
143.08574	16.1
144.09280	2.2
145.10103	27.5
147.08054	5.4
147.11693	22.1
149.09605	6.4
149.13208	7.4
155.08513	5.9
156.09354	5.6
157.10121	17.2
159.08057	4.3
159.11697	25.5
160.12181	2.1
161.09631	13.7
161.13251	10.3
163.11142	3.7
163.14842	3.6
167.08516	2.3
169.10121	8.0
171.11696	13.6
172.12318	1.9
173.09619	6.7
173.13257	21.2
175.11143	8.9
175.14825	15.1
177.12720	3.5
177.16414	2.3
181.10104	4.3
183.11699	9.0
185.13283	10.3
187.11238	2.0
187.14842	10.2
189.12732	5.3
189.16417	9.3
191.10609	2.8
191.14362	2.3
193.12265	2.3
195.11705	5.3
197.13252	7.3
199.11218	3.3
199.14836	7.8
200.15465	3.5
201.12688	4.2
201.16353	13.1
203.14325	4.1
203.18013	4.0
205.15814	3.0
207.11705	2.3
209.13266	5.5
211.14891	4.9
213.12773	2.8
213.16411	5.8
215.18025	7.3
217.15858	6.7
219.17311	2.0
223.14818	3.9
225.16408	5.4
227.14299	6.1
227.17989	3.5
229.15892	2.7
229.19531	2.9
231.17252	1.9
235.14969	2.0
237.16403	3.4
239.17853	5.0
241.15785	2.9
245.15343	5.5
249.16551	2.6
255.17485	2.9
255.21109	2.0
257.22308	2.1
267.17496	2.7
279.17303	2.1
285.18390	2.1
293.19141	2.6
295.24164	5.2
319.24182	8.9
335.27371	3.6
337.25214	13.3
345.25964	3.6
351.66544	1.8
353.28430	3.7
363.26801	35.5
364.27335	2.5
381.27838	100.0
382.28101	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	381.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.05500	9.1
57.07047	2.3
67.05508	19.0
69.03416	8.0
69.03742	1.7
69.07062	13.4
69.47281	9.2
69.47704	4.4
70.83105	1.7
79.05491	24.3
81.03400	4.3
81.06594	2.9
81.07058	55.2
82.82773	1.8
83.08599	4.0
91.05479	29.7
93.07047	30.4
95.04969	9.9
95.08606	44.5
96.08057	1.7
97.06535	5.0
97.10174	2.5
98.20763	3.6
99.08144	1.8
105.07032	42.3
107.04996	2.9
107.08591	36.6
109.06512	18.5
109.10161	30.8
111.08066	2.4
115.05475	2.0
117.07018	13.7
119.08580	69.4
121.06495	3.5
121.09338	2.6
121.10148	29.5
123.08081	4.8
123.11714	24.7
128.06197	4.0
129.06973	6.3
130.07747	2.9
131.08553	24.2
133.10130	35.8
135.08089	8.6
135.11691	13.8
137.09662	2.3
137.13261	4.9
141.06934	3.0
142.07735	2.8
143.08565	10.3
144.09337	2.3
145.10136	30.4
147.08038	3.7
147.11688	24.4
149.09593	13.6
149.13260	6.0
151.11179	1.8
154.07733	1.9
155.08537	5.9
156.09346	1.9
157.10146	13.1
159.08034	2.5
159.11703	24.6
161.09650	9.6
161.13245	26.6
163.11163	4.9
163.14767	6.1
169.10129	6.2
171.11676	12.6
173.09607	7.2
173.13275	16.9
175.11194	9.5
175.14822	13.8
177.12732	5.1
177.16415	2.3
179.08554	1.9
181.10094	4.2
183.11703	6.1
185.13210	9.1
187.11115	2.7
187.14793	11.8
189.16383	12.8
191.10658	5.0
193.12143	2.9
195.11719	4.4
197.13251	7.9
199.11211	2.3
199.14828	11.6
201.12744	2.9
201.16364	14.3
203.07030	4.2
203.14345	2.6
203.17920	5.2
205.15942	2.2
207.17268	2.4
209.13264	5.8
211.14848	7.2
213.16403	4.6
215.14264	3.2
215.17969	6.7
217.15887	3.2
223.14789	2.5
225.16362	5.1
227.14302	6.3
227.17928	6.7
229.15886	3.4
229.19571	4.0
235.14684	2.1
237.16354	3.5
239.18040	3.3
241.15808	4.9
241.19531	3.1
245.15314	3.1
249.16397	3.5
255.17432	3.2
255.20975	3.5
257.22656	2.5
267.17599	2.3
273.21957	2.6
279.17645	2.5
285.18457	4.7
289.19287	2.2
293.18790	2.1
295.24307	2.8
313.25186	4.2
319.24225	7.1
335.27234	1.9
337.25241	10.1
345.25833	3.6
363.26801	32.3
364.27042	4.1
372.70728	2.0
381.27847	100.0
382.28232	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	381.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.05505	4.2
57.07069	2.9
65.03914	2.2
67.05505	13.7
69.03410	5.1
69.07066	13.1
69.52131	1.6
70.68538	4.8
74.36512	1.5
79.05489	14.9
81.03413	2.7
81.07054	27.3
83.04957	1.8
83.08610	5.3
85.06532	1.4
85.63500	1.7
91.05478	22.5
93.07048	29.1
95.04958	6.5
95.08606	35.8
97.06536	4.0
105.06381	3.0
105.07033	29.9
107.08596	32.6
109.06516	7.0
109.10154	24.6
112.70784	1.8
117.06312	1.7
117.07012	11.0
119.08581	44.2
121.06495	4.0
121.10152	23.7
123.08115	3.2
123.11715	17.8
128.06215	2.0
129.06969	7.6
130.07803	2.3
131.08549	24.6
133.10147	27.3
135.08063	6.0
135.11690	13.3
137.09654	3.4
137.13243	6.6
141.06888	2.4
142.07773	3.0
143.08577	11.9
144.09265	1.9
145.10130	30.3
147.08012	4.1
147.11676	19.6
149.09657	4.4
149.13249	4.7
155.08571	3.5
157.10152	15.1
159.08051	2.7
159.11708	21.1
161.09584	12.9
161.13213	10.1
163.11238	3.5
163.14836	4.4
169.10123	5.9
171.11720	12.8
173.09601	6.7
173.13295	14.4
175.11201	10.2
175.14883	11.3
177.12778	3.3
181.10100	4.0
181.90767	1.7
183.11671	8.1
185.13280	12.5
187.14851	12.3
189.12747	5.1
189.16299	8.6
191.10756	5.0
191.17908	2.4
193.12376	2.9
195.11668	2.3
197.13223	7.4
199.14838	8.7
201.12727	2.9
201.16376	10.9
203.14294	2.6
203.17975	2.9
205.15883	2.6
209.13229	5.3
211.14764	5.8
213.16302	5.3
215.14363	3.5
215.17932	6.8
217.15863	5.8
221.13280	2.4
223.14929	2.0
225.16336	5.3
227.14304	5.5
227.18022	4.1
229.16005	2.0
229.19577	3.0
235.14732	2.8
239.17877	2.5
241.15738	2.1
245.15312	5.0
251.17865	2.1
253.15916	2.9
255.17584	2.4
255.21010	4.1
263.17889	2.1
265.19373	1.9
267.17422	3.8
278.42877	2.4
281.19083	2.9
285.18353	3.2
293.19028	2.4
295.24295	3.0
313.25287	3.3
319.24146	9.5
337.25339	14.7
345.25909	3.2
353.28391	3.2
363.26855	34.9
381.27847	100.0
382.28183	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	381.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.05513	9.4
57.07060	3.5
59.66594	1.9
67.05507	19.8
69.03404	5.8
69.07061	13.7
69.51445	7.0
69.51872	6.6
77.03918	2.1
79.05492	22.1
81.03414	4.0
81.06591	3.2
81.07053	53.6
82.05566	2.1
83.08617	5.4
85.06538	3.7
86.45084	2.2
89.06019	1.9
91.05486	25.4
93.06493	2.5
93.07044	32.2
95.04945	6.6
95.08608	47.9
97.06509	2.4
103.05490	2.4
105.07034	65.6
107.04948	3.1
107.08594	42.9
109.06526	13.9
109.10155	30.8
111.08100	2.4
111.11713	3.6
117.07017	11.0
119.08584	70.5
121.06470	3.2
121.10155	25.4
123.08070	4.3
123.11715	19.7
128.06213	3.5
129.06972	7.9
131.08582	26.0
133.06500	2.0
133.10136	35.5
135.08026	8.7
135.11688	21.3
137.13228	7.5
143.08539	10.9
144.09233	2.4
145.10133	29.2
147.08040	3.4
147.11682	25.6
149.09605	10.9
149.13272	11.5
151.07516	2.2
151.11140	2.4
151.31303	2.1
152.69110	2.1
155.08533	6.3
157.10124	20.4
158.10846	2.2
159.11688	26.4
161.09650	12.4
161.13263	38.9
163.11172	4.5
163.14775	5.1
165.06937	2.8
169.10117	6.1
171.11693	11.1
173.09595	7.6
173.13226	19.0
175.11208	11.6
175.14825	20.0
177.12732	4.5
177.16359	3.8
179.10704	2.3
181.10077	5.0
183.11644	10.0
185.13231	9.5
187.11214	3.6
187.14835	14.9
189.12703	3.4
189.16385	16.1
191.10681	6.3
191.14420	2.1
191.18044	2.5
193.12196	4.1
195.11748	4.2
197.13284	10.9
199.14836	11.3
201.12665	2.2
201.16406	19.4
203.14365	2.3
203.17987	4.6
205.15747	2.1
209.13303	3.5
209.47881	2.0
211.14815	6.7
213.12744	3.0
213.16339	4.9
215.14200	2.1
215.17911	5.7
217.15848	4.5
218.91269	2.2
219.98129	1.8
225.16370	7.5
227.14354	5.2
227.17918	5.0
235.14824	3.6
237.16435	3.5
239.18016	4.9
241.15651	2.8
241.19640	2.0
243.13847	2.6
245.15375	4.2
255.17328	2.6
255.21075	3.6
257.22534	4.0
259.60696	2.0
267.17343	4.4
273.22186	2.8
279.21094	2.6
285.18506	3.5
293.18881	2.6
295.24219	3.4
313.25125	2.4
319.24103	6.4
335.27084	2.8
337.25311	11.1
345.25571	3.8
363.26834	33.0
381.27780	100.0
381.31345	6.0
382.28180	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	381.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03313	1.8
53.03937	2.5
55.05505	7.8
57.07061	2.0
60.39036	1.8
65.76270	1.8
66.82153	1.6
67.05511	15.0
69.03421	4.9
69.07072	12.1
69.51099	13.4
79.05505	13.9
80.69320	1.8
81.03419	3.5
81.07050	43.9
83.08617	6.6
85.55692	1.9
87.36814	1.9
88.03598	2.2
91.05477	20.7
91.76665	1.9
93.07047	24.8
95.04994	3.2
95.08602	41.7
97.06517	2.5
99.08067	2.1
105.04517	2.2
105.07032	31.1
107.04920	2.3
107.08587	30.0
109.06510	12.0
109.10157	25.9
110.57765	2.1
115.05437	2.9
117.07011	8.6
119.08576	40.2
121.10152	30.1
123.08038	2.4
123.11689	14.2
128.06267	3.2
129.06955	5.4
131.08574	20.2
133.10129	31.1
135.08040	8.0
135.11693	18.6
137.09560	2.2
137.13249	3.2
142.07808	3.1
143.08546	12.2
145.10127	17.8
147.08047	5.1
147.11681	18.4
149.09648	6.9
149.13264	5.1
155.08603	4.6
157.10172	13.3
158.10974	2.7
159.08058	3.0
159.11682	18.1
161.09627	11.0
161.13228	12.2
163.11209	3.2
163.14816	3.8
169.10124	4.1
171.11690	9.2
173.09535	5.0
173.13257	14.2
175.11234	8.4
175.14833	13.3
177.16443	3.4
183.11716	6.4
185.13283	8.2
187.03941	2.2
187.07622	2.3
187.14830	14.5
189.16350	14.5
191.10660	5.9
191.14421	2.8
193.10182	2.0
193.12318	5.1
195.11829	2.9
197.13300	6.2
199.03938	2.2
199.14870	8.2
201.12718	2.3
201.16396	16.1
203.14372	2.1
203.17947	4.2
209.13278	3.7
211.14825	5.9
213.16406	5.7
215.14354	3.4
215.17984	5.3
221.13365	2.5
223.14894	2.1
225.16377	2.6
227.07022	3.1
227.14336	2.9
227.17918	4.0
229.15791	2.1
234.84917	2.0
239.17984	2.4
241.15915	2.3
241.19525	2.8
245.15375	3.1
249.16412	3.5
251.17937	2.2
251.31534	2.3
253.15968	3.6
253.19516	2.5
266.66159	2.0
273.22165	2.1
285.18527	3.8
293.22653	2.9
295.24289	5.8
297.18616	2.7
313.25360	2.5
319.24231	4.1
321.25845	2.3
323.23871	2.5
337.25266	6.8
345.25732	2.8
363.26740	25.6
364.27194	2.7
381.27896	100.0
382.28204	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	381.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.05500	7.5
67.05499	16.0
69.03428	3.1
69.07070	13.0
70.08073	3.4
70.08467	4.9
70.44833	1.4
79.05486	11.7
81.03405	2.2
81.07050	28.4
83.04939	2.1
91.05476	23.8
93.07039	29.9
95.04971	5.2
95.08607	37.3
99.08062	2.0
103.05465	2.9
105.07021	33.0
107.08598	27.9
109.06516	7.2
109.10161	22.3
117.07003	11.6
119.08578	39.7
121.06547	3.7
121.10143	26.4
123.08068	3.8
123.11710	21.2
128.06258	2.7
129.07002	8.0
131.08560	22.6
133.10117	30.6
134.32681	1.7
135.08041	5.9
135.11664	10.0
137.09633	2.5
137.13286	4.4
142.07736	2.2
142.78450	1.9
143.08572	11.9
145.10121	25.6
146.67589	2.2
147.08049	2.5
147.11700	21.0
149.09581	5.5
149.13234	7.1
155.08574	4.6
157.10126	14.9
159.08029	2.5
159.11691	18.7
161.09618	14.5
161.13214	9.5
163.11176	4.5
163.14801	5.0
169.10110	7.3
171.11699	15.5
173.09618	7.2
173.13306	18.4
175.11198	9.4
175.14821	13.2
177.16383	2.8
181.10104	3.6
183.11707	9.5
184.11169	2.1
185.13217	5.4
187.11151	2.2
187.14830	10.3
189.12746	3.2
189.16388	10.7
191.10672	2.2
191.17802	2.5
195.11687	5.2
196.12383	2.5
197.13242	6.3
199.11143	3.2
199.14835	7.8
200.15405	2.5
201.12721	4.3
201.16393	10.4
203.17950	5.9
207.11758	2.2
207.17569	2.1
209.13278	3.3
211.14854	4.3
213.12813	2.7
213.16348	3.8
215.14262	4.4
215.17934	4.8
217.15996	2.3
223.14862	3.4
225.16412	3.9
227.14336	7.1
227.17886	3.7
231.17458	2.4
235.14848	3.9
237.16402	3.9
239.17918	3.4
241.15950	2.4
241.19516	4.0
243.13795	2.9
245.15320	5.1
249.16336	2.2
251.17813	2.2
293.19077	2.3
309.25833	2.6
319.24155	14.2
337.25256	15.3
345.25607	4.6
353.28458	2.3
363.22156	2.3
363.26770	40.9
364.27249	2.5
381.27853	100.0
382.28088	7.6
389.19254	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.8
57.07058	2.9
65.03939	1.8
67.05504	14.0
69.03425	3.1
69.07068	12.9
70.33760	3.6
70.34146	2.7
72.08122	2.1
72.65135	1.5
78.38518	1.5
79.05488	14.4
81.03406	2.4
81.07059	29.0
82.07386	1.6
83.08603	5.9
91.05489	23.4
93.07043	23.8
95.04946	4.8
95.08615	28.4
97.06516	1.9
99.08069	2.1
105.06382	2.7
105.07036	30.8
105.08111	1.6
107.08591	31.1
109.06478	5.7
109.10148	22.1
115.05466	1.9
117.07019	13.6
119.08588	34.7
121.06499	2.5
121.10138	22.5
123.08048	4.1
123.10873	1.5
123.11718	27.9
124.26608	1.8
128.06253	1.8
129.07030	7.6
130.07761	3.1
131.08565	24.1
133.06476	2.1
133.10118	27.9
135.08009	4.5
135.11670	13.0
137.09543	2.5
137.13225	3.1
142.07802	2.0
143.08571	12.6
145.10126	24.5
147.08032	3.3
147.11685	20.9
149.09630	3.9
149.13242	7.1
155.08531	7.3
157.10133	15.2
158.11049	2.4
159.08058	2.9
159.11673	14.4
161.09642	10.7
161.13225	8.9
163.11223	3.7
163.14786	3.6
167.08524	2.5
169.10141	7.0
171.11664	10.4
173.09647	2.6
173.13261	19.7
174.13876	1.5
175.11140	7.4
175.14775	11.9
177.12816	3.2
178.54404	1.7
181.10123	4.8
183.11678	7.8
185.13278	7.3
187.11230	3.2
187.14853	10.4
189.12796	3.6
189.16379	6.5
191.10759	2.4
191.14220	1.8
193.10126	1.7
194.11005	1.8
195.11713	4.8
197.13278	7.2
199.11154	3.8
199.14771	8.0
201.12706	6.6
201.14844	1.5
201.16315	10.3
203.14349	2.2
207.11678	2.2
209.13287	5.4
211.14877	5.2
213.12755	2.4
213.16362	3.4
215.14224	2.1
215.17982	1.9
217.15900	3.9
223.14804	3.9
225.12738	2.7
225.16322	5.9
227.14291	5.1
227.17928	4.4
235.14842	2.8
237.16397	3.5
239.14427	2.8
243.17537	1.9
245.15488	4.9
249.16443	3.5
251.17880	2.2
257.22623	2.1
259.17044	2.1
263.17892	3.1
267.17438	5.4
279.17462	2.7
279.21085	2.2
281.19135	2.3
285.18454	3.8
307.20578	2.0
309.22156	2.5
309.25742	1.7
319.24200	10.1
321.22348	2.0
321.25671	2.0
337.25266	21.1
338.25406	2.1
345.25894	4.1
353.28210	2.1
363.26825	38.2
381.20309	3.2
381.27866	100.0
382.28143	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	381.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57533	4.4
53.03936	14.3
55.01868	13.6
55.05518	27.1
55.05732	4.1
57.03427	13.2
57.07083	6.8
67.05509	31.8
69.03432	76.0
69.07064	20.1
69.56895	8.5
69.57301	24.4
70.06587	15.3
71.04983	16.8
72.08181	6.1
73.02928	7.4
75.14619	5.4
79.05506	34.3
81.03423	28.0
81.07059	78.2
83.04979	18.0
83.08620	10.5
85.02435	6.3
85.02911	71.6
87.04455	5.2
91.05477	49.2
93.07045	83.4
95.04987	27.7
95.08604	72.7
97.02911	40.6
97.06512	8.5
99.04466	17.5
103.05468	8.3
105.03384	8.9
105.07029	100.0
107.04965	11.2
107.08589	88.2
109.02878	18.6
109.06528	15.2
109.10161	27.7
111.04401	6.2
111.08032	12.9
115.05471	6.0
117.07022	30.2
119.05007	6.0
119.08583	75.6
119.39544	4.8
121.02876	4.7
121.06514	10.4
121.10146	66.9
123.04438	5.2
123.08075	15.2
123.11696	13.8
127.03926	24.0
129.07047	13.2
130.07767	7.4
131.04884	9.0
131.08568	46.1
132.05287	9.7
133.02820	8.5
133.06516	7.2
133.10135	42.5
135.04453	6.7
135.08026	5.3
135.11707	18.5
137.05991	7.3
137.09605	9.5
137.13260	6.2
142.07768	8.2
143.08530	20.8
144.09349	10.3
145.04939	9.6
145.06552	5.1
145.10132	93.2
147.04401	7.2
147.08057	10.4
147.11723	29.3
149.09660	12.2
149.13268	19.4
151.03888	9.1
153.05475	6.6
157.10095	23.1
158.10953	7.5
159.08060	9.3
159.11690	79.8
161.09586	9.8
161.13225	48.7
163.11200	10.3
163.14821	6.6
167.07034	5.5
171.08087	7.0
171.11736	8.8
173.13260	19.6
175.07550	7.0
175.11218	6.2
177.12738	5.8
179.58998	5.0
181.10196	5.9
185.13306	7.8
189.11147	7.3
191.07001	5.6
195.11705	5.3
201.12784	6.7
201.16393	59.0
203.18002	17.5
211.11026	6.0
213.12587	5.7
213.16417	6.4
217.12335	5.5
219.06616	13.0
219.17455	25.5
225.12746	6.6
255.13898	7.4
297.07605	18.0
381.17560	5.1
381.23566	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56386	0.6
52.22524	0.6
55.05406	1.0
55.05612	1.0
57.03340	0.8
59.04865	1.4
59.05161	1.2
60.04364	1.9
60.04694	1.7
61.02765	2.8
61.03112	2.1
69.03305	0.8
69.58422	2.9
69.58829	1.9
70.06411	25.7
70.06848	13.5
71.04806	3.7
71.05249	2.2
79.05299	2.1
81.04354	3.8
81.06861	9.0
81.07389	2.9
84.08004	1.1
86.09549	0.9
91.05330	1.4
93.06875	0.9
94.06393	0.8
97.03831	1.8
97.07475	0.8
98.21508	0.9
98.49825	0.7
99.07929	1.3
101.42409	0.7
105.06821	0.7
107.04798	0.9
108.05379	22.9
108.06195	4.2
109.02627	0.7
109.03827	0.9
113.09483	0.9
114.05350	1.4
119.05902	1.4
120.05355	11.7
120.06302	1.7
120.07870	1.0
121.07418	0.7
125.06875	2.5
129.10065	0.8
135.08946	0.9
136.04825	28.1
136.05986	2.8
146.06979	1.4
148.04880	1.3
150.10017	0.8
151.12132	1.0
152.06958	1.1
154.05925	1.1
158.06897	0.8
160.08473	3.1
161.10597	1.6
162.10124	1.3
164.04298	4.1
173.10561	0.8
175.03850	0.8
176.04550	3.7
177.05264	0.9
177.11351	16.0
188.04500	0.7
188.11827	7.1
195.11119	1.3
205.10835	20.3
206.11130	0.7
206.12852	5.2
207.06358	0.9
212.09018	1.0
215.09262	8.7
216.11240	1.3
218.07983	0.9
219.08188	2.1
219.11368	0.6
227.13695	2.6
233.10339	28.0
234.12416	3.5
235.68111	0.6
244.10664	3.2
245.10419	0.7
262.11700	0.9
266.14777	1.1
271.11304	0.8
285.17053	6.8
303.17981	2.0
313.16574	54.8
314.16788	2.8
331.17624	25.9
332.17706	1.3
335.20651	1.0
345.24631	1.0
349.18680	2.2
363.20248	100.0
364.20505	4.9
381.17395	1.6
381.21356	35.2
381.26309	2.1
382.21759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	35.4
70.01759	2.1
70.02155	1.7
70.06585	0.9
71.95273	1.3
72.08179	1.3
84.08135	3.5
84.96043	4.2
85.02906	1.9
86.21938	0.7
97.02870	1.4
98.97581	75.9
101.00845	0.8
104.21414	0.8
110.07143	1.1
110.97556	12.3
112.99129	10.6
115.00691	8.5
116.98613	30.8
124.99140	1.1
128.98607	10.8
129.02234	11.3
131.00171	8.4
131.01883	1.7
133.01707	8.4
133.03456	2.8
134.99643	9.1
139.63562	0.8
140.00220	1.2
140.98581	1.5
141.02211	4.4
143.00159	3.1
143.01900	1.1
144.98032	1.1
145.01726	1.2
146.99704	6.0
147.03276	17.2
147.05019	1.1
149.01176	3.6
151.02803	1.6
152.98581	1.6
155.01823	1.0
157.01781	1.7
157.03345	1.0
158.91806	0.8
158.99641	19.8
159.03271	16.9
160.07526	1.9
161.01216	2.9
161.02966	1.2
163.02733	1.1
165.04327	2.9
170.99648	3.1
171.03270	2.2
171.04961	1.0
173.01241	2.8
173.02957	1.8
175.02727	1.9
177.00720	21.0
177.04340	39.6
182.99643	1.0
183.03264	3.9
183.04912	1.7
185.04871	0.9
188.01781	1.0
189.00726	3.9
189.04446	6.3
191.02301	2.8
195.05392	15.8
200.05893	1.6
201.00723	3.0
201.04350	18.8
201.06102	2.1
205.03819	2.3
213.06300	1.0
217.03842	2.3
219.01787	23.9
219.05269	12.8
219.07187	3.6
221.04881	1.2
223.04832	0.9
224.05649	1.0
225.07932	1.4
231.05360	2.7
231.07323	2.1
233.06804	1.2
233.08882	1.7
237.02797	42.4
242.03337	1.2
243.05304	1.9
245.05087	3.0
251.09579	5.3
255.03844	1.4
255.07079	1.1
260.04440	1.6
261.06528	2.9
269.10626	12.7
277.07614	7.5
287.11670	1.2
293.10550	1.0
295.08823	8.8
303.07495	1.2
311.11707	2.2
313.09491	8.2
321.08334	100.0
322.09061	3.0
339.09607	86.8
340.09927	3.3
362.11298	3.7
381.10651	28.3
382.10974	1.1
397.29288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	26.0
56.96850	1.3
58.11512	0.4
60.05644	0.5
63.32727	0.5
68.04977	0.6
70.06594	0.8
71.51655	0.6
71.95242	0.8
72.51776	0.5
74.97610	0.9
81.03413	0.6
84.08145	3.4
84.96049	3.6
85.02900	1.2
92.98694	0.7
97.02911	1.3
97.96152	0.5
97.96815	0.7
97.99188	0.6
98.97585	68.3
99.04440	0.6
100.99149	0.9
101.00887	0.8
110.97565	9.3
112.99119	7.3
115.00698	5.1
115.02440	0.9
116.98624	27.5
119.00175	0.7
119.01913	2.0
127.00728	0.7
128.98607	11.1
129.02246	11.9
129.03966	1.2
129.10223	1.3
131.00179	8.5
131.01895	1.7
132.59398	0.5
133.01736	5.2
133.03461	5.9
134.99643	6.4
140.00180	0.8
141.02199	2.8
143.00201	2.8
143.01871	1.2
144.98055	0.9
145.01703	1.1
145.03415	1.2
146.99648	4.3
147.03290	16.3
147.05016	3.5
149.01219	4.4
151.02736	1.2
152.48418	0.6
152.98605	0.8
155.01871	2.1
157.01697	1.2
157.03549	1.2
158.99670	17.1
159.03284	15.6
159.05045	2.2
160.07619	0.8
161.01210	2.2
161.02957	1.5
161.06650	0.8
162.99178	0.9
163.02736	1.6
164.88506	0.6
165.00711	1.0
165.04317	3.2
170.99684	3.3
171.03319	2.1
171.05009	2.2
173.01370	2.9
173.02811	2.8
175.02777	2.2
175.04471	1.2
176.99171	0.8
177.00745	15.5
177.04353	34.9
177.05945	2.1
178.04768	0.6
183.03293	3.8
183.05038	1.7
185.02908	0.7
185.06572	0.7
187.02792	1.0
189.00749	2.6
189.04344	5.4
189.06036	1.5
191.02260	2.7
193.03761	0.8
195.01709	1.1
195.05417	17.6
195.07104	1.0
197.02982	1.4
199.04488	0.6
200.02289	0.6
200.06010	1.0
201.00760	2.9
201.04358	15.5
201.05997	1.3
203.03928	0.7
205.03813	2.1
207.05214	1.1
211.02872	0.7
213.06407	0.8
217.03891	1.6
218.06540	0.7
219.01788	22.9
219.05367	11.2
219.07224	6.6
221.05099	3.3
223.04832	0.8
225.04176	0.6
225.06076	0.9
231.05276	2.3
231.07193	5.9
233.03329	0.9
233.06746	0.7
233.08746	1.7
237.02806	38.6
243.05368	2.1
245.05093	4.2
251.09744	2.7
255.03568	2.5
255.07263	2.1
260.04361	1.5
261.06195	3.2
261.98746	0.6
269.10660	5.2
273.08194	2.2
277.07297	2.1
279.03845	0.7
291.07385	0.7
295.08408	3.6
307.06796	0.7
311.11511	0.8
313.09592	3.4
321.08231	100.0
322.09277	2.6
331.10410	0.8
339.09604	85.6
340.10034	2.4
362.11081	4.7
381.10611	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	381.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36585	0.5
65.41457	0.4
70.12045	2.1
98.97585	1.4
105.06390	0.5
127.80574	0.6
130.55251	0.6
177.00676	0.6
201.01660	2.6
210.62843	0.5
219.02718	3.0
261.02814	0.7
295.27905	0.6
381.07938	100.0
382.08258	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	381.086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	100.0
58.06590	1.0
61.96976	0.9
66.20817	1.0
69.03439	1.2
69.42019	0.8
70.06593	4.6
71.51916	1.7
71.95258	3.0
72.08160	1.6
74.97620	2.5
78.04739	1.0
81.03386	0.9
84.08149	8.5
84.96049	3.9
85.02910	3.2
86.09678	1.3
87.55007	1.1
97.02876	1.6
98.97584	37.0
100.99134	1.5
110.07159	2.7
110.97565	5.4
112.99168	1.4
115.00695	21.9
116.98617	27.2
128.98604	5.6
129.10237	4.2
131.00203	1.9
133.01736	21.2
134.99654	12.8
139.31541	0.9
140.98610	2.5
141.02252	2.7
143.00166	3.3
145.01755	1.6
146.99635	2.8
147.03282	1.4
147.04408	1.5
148.36284	1.0
151.02771	3.8
152.05672	1.0
152.98589	1.8
153.00737	1.9
157.01846	1.0
157.41516	0.9
158.01411	0.9
158.99670	10.4
159.03313	12.6
160.07579	22.0
161.01199	4.9
163.02827	1.3
165.00883	2.3
165.02222	1.8
167.03831	1.8
170.99719	2.8
173.01245	1.1
173.04849	1.9
177.00769	6.4
177.04332	21.1
177.05754	1.8
181.05394	1.4
183.03291	3.0
185.04921	3.2
187.02786	1.4
189.00717	3.0
189.04419	1.5
193.05382	1.7
195.03563	1.7
195.05431	9.4
197.01285	1.5
197.04927	2.8
198.01750	1.0
199.06316	1.0
201.00679	1.8
201.04391	5.2
203.02382	1.2
203.05914	1.2
205.03711	1.1
205.05434	1.4
207.06967	1.8
208.01442	16.2
209.04858	3.2
211.02945	1.3
211.06454	8.4
213.04376	2.5
213.12341	1.3
215.05972	1.4
219.01761	12.3
219.03366	1.3
219.05418	4.1
223.06551	1.8
225.04359	3.2
225.07986	6.0
226.02477	23.1
227.05949	2.9
227.09534	2.2
228.59804	1.1
229.07558	6.2
231.05327	2.3
233.08549	4.9
235.06432	2.1
237.02760	26.5
239.05904	5.1
243.05486	1.2
243.09106	2.5
244.03586	2.4
247.02722	1.7
247.08516	2.3
248.03529	1.1
249.04163	1.5
249.08069	5.0
250.02493	32.0
251.09552	42.6
253.07440	2.2
255.03813	2.2
257.07004	1.5
259.06412	9.1
260.04428	1.6
262.05106	1.7
267.09018	10.0
268.03540	23.2
269.10611	95.1
270.11102	2.5
274.11307	3.4
277.07492	47.6
278.07886	2.2
285.10065	7.7
287.11621	8.1
290.10767	1.2
291.05161	2.1
292.12277	3.9
293.10605	11.3
295.08542	83.4
296.08905	3.4
300.09180	1.8
303.11200	1.6
311.11594	12.3
313.09589	56.4
314.09958	1.6
318.10138	4.5
321.08545	33.6
322.09470	1.4
322.12839	7.0
331.10623	9.1
336.11328	2.1
339.09714	24.8
362.11176	1.7
381.10950	8.3
381.20459	3.0
400.07669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.01853	1.0
55.05507	4.4
56.05024	2.8
57.03430	1.5
60.04523	100.0
67.05504	11.1
68.05045	0.8
69.03429	1.6
69.07053	4.8
70.06577	2.8
70.99361	0.9
70.99677	1.3
71.04990	4.8
72.04514	5.1
72.08123	1.5
74.06061	0.9
79.05482	6.7
80.04991	1.3
81.03411	2.0
81.07048	9.7
82.06569	1.7
83.04987	0.9
83.08617	5.8
84.04498	1.0
84.08129	1.6
85.02914	1.1
85.06533	3.3
86.06025	1.9
88.72169	0.8
91.05475	11.9
93.07039	15.7
94.06531	1.4
95.04958	3.1
95.08601	4.7
96.08083	0.8
97.06509	1.2
102.05545	1.6
105.04430	0.9
105.07011	5.1
105.61606	0.8
107.08592	3.1
109.06511	1.6
109.10174	1.6
111.08075	10.5
112.07551	2.0
115.07545	1.8
116.07092	1.4
117.07004	3.9
119.08601	4.6
120.06584	0.8
120.08093	5.4
121.10154	2.7
123.08060	1.1
124.07615	0.9
127.03913	1.4
128.05264	0.8
129.06987	2.1
129.09106	3.6
131.08514	4.4
133.10095	2.9
135.11642	1.1
143.08545	1.6
145.10115	4.2
147.08008	1.0
147.11681	0.9
151.86963	1.0
157.10042	1.5
159.11649	1.2
161.09616	0.8
163.11166	1.7
180.13870	1.2
198.14894	1.6
199.14964	1.1
200.12634	0.9
216.15962	14.2
216.17941	1.6
269.10718	1.8
290.21121	1.1
295.08646	1.6
308.22113	2.9
326.23212	3.8
344.24292	12.7
362.25342	89.7
363.25769	3.3
380.26312	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	380.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	15.5
57.55957	10.7
58.41875	10.3
60.00765	9.7
67.05489	17.3
85.06552	14.4
98.21581	18.7
175.03911	100.0
187.03914	33.8
189.05527	12.8
207.06586	12.5
229.08534	31.1
229.28618	13.2
241.03992	11.2
241.08557	24.8
243.10086	35.0
247.09727	77.4
259.09662	9.8
267.18088	12.5
295.13342	20.8
313.14371	22.7
331.15399	34.6
362.17233	24.0
363.61234	11.1
370.47366	10.8
380.18442	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.7
57.03419	2.2
57.07079	4.5
65.03943	3.5
67.05508	18.4
69.07066	7.7
70.06597	11.6
70.69495	6.0
71.04986	2.9
72.08126	2.3
79.05484	6.7
81.03410	2.9
81.07059	8.1
83.08616	4.3
84.04507	2.5
84.08126	3.4
85.02911	2.8
85.06550	10.0
86.09723	2.5
91.05466	9.3
93.07040	6.5
95.04951	2.2
95.08627	5.4
103.05456	2.0
105.03407	5.7
105.07031	5.3
107.08619	4.7
108.09003	2.3
109.10168	6.3
115.05440	2.4
117.07030	3.2
119.04977	4.0
119.08532	2.2
120.08109	3.5
120.08839	2.2
121.06478	3.2
121.10134	5.3
123.08041	2.4
129.07056	2.7
131.04953	6.6
136.06219	3.1
136.07562	2.5
143.08412	1.8
145.10098	4.7
147.04388	9.0
147.11694	2.6
151.03854	2.2
157.10147	2.6
159.04407	8.5
162.09090	2.7
163.03961	5.3
173.09644	5.8
175.03906	100.0
177.05495	9.6
185.06015	2.6
185.21094	1.9
187.03883	27.4
187.07626	3.7
189.05446	10.5
199.03917	8.9
201.05533	4.9
203.03410	7.6
203.07053	4.3
203.10779	2.0
213.05502	3.4
215.07022	3.3
217.04915	3.2
217.08727	4.4
226.06255	8.1
228.07890	3.6
229.08604	28.4
231.10173	8.5
235.74007	2.1
241.08574	22.3
243.10118	18.6
244.08206	2.7
245.08092	6.1
247.09671	60.3
253.08554	2.3
255.10103	3.9
259.09744	11.5
259.57965	1.9
269.53683	2.1
295.13290	8.3
313.14349	25.0
321.19507	1.9
330.53696	2.4
331.15393	13.1
380.21631	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	380.1702
Annotation	Bruceolline M
Peak:m/z	Relative Intensity
50.19768	0.3
53.03934	0.8
55.01852	0.6
57.03429	2.2
59.33775	0.3
60.04499	0.6
61.02660	0.3
61.02925	3.1
62.83371	0.3
69.03426	8.8
69.79318	1.1
69.79728	0.8
70.06529	0.4
71.01359	0.3
71.04962	0.6
73.02571	0.3
73.02917	2.4
81.03413	2.9
83.01330	0.3
85.02907	13.4
87.04471	2.4
91.03938	0.9
94.54381	0.4
97.02895	5.6
99.04469	1.7
101.02358	0.5
109.02872	2.2
115.03893	0.5
116.95979	0.4
127.03899	3.6
131.02229	0.4
131.07312	0.3
132.08061	0.5
145.04924	1.2
146.09641	1.4
159.06784	4.9
160.07542	0.7
172.07588	0.5
172.11162	1.0
173.08379	2.7
174.09145	27.0
175.09419	0.4
184.07481	0.6
185.86354	0.3
186.09135	1.6
188.10730	0.4
197.08395	0.4
198.09151	1.1
200.10701	12.1
201.11249	0.4
210.09065	0.4
212.10725	0.4
216.10188	1.4
218.11758	78.3
219.12065	2.3
224.10899	0.4
226.12097	0.4
228.10179	3.1
230.11649	0.4
235.74216	0.5
242.11650	0.6
246.11288	0.4
260.12762	1.4
260.95486	0.4
336.14392	4.9
380.17029	100.0
381.17297	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84788	1.5
53.03936	4.5
55.01873	9.1
55.05501	8.1
57.03432	4.8
57.59274	1.7
61.02917	1.8
65.69088	1.8
67.05505	13.8
67.12627	1.7
68.99790	4.3
69.03085	3.6
69.03429	44.5
69.07053	8.9
70.06585	5.6
71.04994	5.7
71.37674	2.0
71.38005	3.4
72.08164	1.8
73.02886	2.2
77.20492	1.7
79.05492	15.9
81.03416	23.6
81.07053	13.0
83.04989	8.0
84.08157	2.6
85.02901	15.8
85.06542	3.3
86.06073	2.0
86.09714	2.7
87.00816	9.5
91.05478	22.0
93.07040	24.4
95.04971	14.4
95.08601	23.2
97.02879	10.1
97.06529	3.4
99.04465	4.2
103.03954	2.7
105.03395	3.7
105.07027	42.1
107.04951	10.1
107.08591	100.0
109.02874	13.0
109.06514	12.4
109.10152	13.2
111.00906	2.0
111.04424	5.3
115.05458	3.5
117.07031	8.3
118.06551	11.4
119.04934	4.6
119.08579	51.4
120.08114	2.5
121.06509	10.1
121.10140	38.6
123.04433	5.7
123.08095	6.1
123.11701	4.1
125.06012	2.4
127.03918	7.2
128.06213	5.3
129.01869	1.9
129.07001	6.8
130.06548	4.0
130.07642	1.8
131.04903	2.2
131.08563	20.0
133.02852	2.8
133.06493	6.6
133.10124	18.4
135.04416	2.7
135.08057	7.4
135.11722	5.9
137.02348	19.5
137.05997	8.2
137.09631	6.1
141.06970	4.1
142.07779	3.8
143.08525	9.5
144.08089	6.9
144.09311	3.8
145.04932	3.6
145.06473	2.6
145.10117	18.1
146.05995	28.9
147.08066	7.3
147.11703	21.2
149.05992	5.2
149.09622	5.6
149.13240	23.0
151.03944	3.3
151.07518	3.5
155.08545	7.6
156.09383	3.4
157.10138	9.1
159.02824	3.4
159.08069	5.0
159.11700	28.5
161.05968	2.4
161.09599	4.5
161.13261	22.3
163.07617	2.5
163.14796	2.9
167.07130	3.5
167.08521	3.6
169.06479	2.2
169.10146	5.9
170.06010	3.8
171.08037	2.4
171.11685	10.6
173.09641	7.2
173.13258	10.6
175.07491	2.5
175.11217	4.8
175.14890	2.3
177.09122	2.3
177.12741	19.9
179.14317	7.6
181.10159	3.5
183.11615	3.7
185.13271	4.6
187.07483	2.0
187.11218	6.5
187.14807	2.7
188.07028	21.4
189.12701	11.3
191.14290	5.7
192.13832	29.6
197.09608	3.7
197.13217	2.1
199.11198	5.0
201.08945	2.1
201.12727	3.7
203.14383	3.3
207.13724	10.5
211.14841	5.1
213.09129	3.0
213.12759	2.7
215.10738	3.3
215.14339	6.4
217.08641	3.1
217.12315	2.4
229.15912	6.3
231.13885	2.3
239.14349	7.9
250.14273	10.5
257.15344	25.4
258.07660	2.0
275.16425	47.7
276.16611	2.6
277.18008	2.2
337.20209	2.4
343.15750	2.3
361.16473	30.5
379.12582	2.9
379.16711	6.7
379.20294	18.5
397.16608	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.0
55.05497	6.6
57.03423	2.8
67.05493	11.8
68.99800	6.2
69.03432	45.4
69.07059	9.5
71.04994	6.5
71.52632	4.0
72.82790	2.5
79.05489	13.9
81.03416	26.3
81.07069	14.0
83.04965	7.1
85.02910	14.9
85.06533	2.7
87.00810	7.7
87.04465	2.6
91.05485	17.6
93.07046	26.5
95.04979	13.7
95.08607	21.0
97.02868	11.9
97.06476	5.0
99.04459	2.9
103.03893	2.5
103.05428	3.6
103.68765	2.7
105.01868	2.6
105.03336	2.4
105.07032	39.2
107.04912	8.4
107.08590	100.0
109.02854	4.8
109.06528	13.4
109.10158	14.3
109.24816	2.3
111.04445	5.1
116.06230	3.2
117.07006	9.5
119.04903	3.7
119.08580	48.3
121.06496	7.3
121.10145	40.6
123.08109	6.3
123.11688	3.6
125.05989	3.5
125.09580	2.8
127.03885	6.2
128.06160	3.0
129.07024	4.2
131.04901	3.3
131.08565	16.4
133.06505	6.6
133.10121	17.1
135.08032	6.7
135.11713	5.9
137.06000	5.2
137.09624	4.6
141.07007	3.1
142.15862	3.2
143.08543	12.3
144.09250	3.8
145.06479	5.2
145.10109	15.6
147.07996	5.4
147.11699	23.6
149.05949	5.5
149.09560	4.1
149.13255	21.9
151.07498	4.8
155.08536	5.1
156.09338	3.6
157.10098	11.3
158.10950	2.8
159.08026	5.4
159.11700	29.4
161.09631	7.3
161.13266	24.4
163.07521	4.4
163.11205	3.0
163.14729	2.8
167.07002	4.5
169.10114	6.4
171.11679	12.9
173.09618	3.8
173.13216	13.7
175.11214	4.1
177.12746	22.4
179.08578	2.9
179.14276	8.7
182.10976	3.8
183.11620	3.5
185.09589	3.5
185.13214	3.4
187.11180	6.4
187.14774	3.9
189.12718	17.0
191.14299	3.9
197.09621	2.9
199.11186	6.1
201.12791	5.8
203.14319	4.3
207.13763	14.9
211.14792	3.2
213.09239	3.0
213.12814	4.0
214.03337	3.5
215.10663	4.4
215.14201	3.3
217.12405	3.0
219.13936	4.2
229.15877	7.7
239.14366	7.3
257.15399	29.4
275.16400	49.7
293.17474	3.2
335.18439	2.8
343.15240	3.0
361.12292	4.0
361.16467	39.3
371.08093	2.7
379.07980	2.8
379.17325	26.5
380.22849	2.9
403.27716	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	379.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.3
55.01854	8.1
55.05501	3.7
56.05024	3.5
57.03428	11.7
59.04984	2.1
60.04528	9.8
61.02933	11.2
61.03207	2.3
63.52655	1.7
64.91170	2.1
68.99776	4.1
69.03430	54.6
69.07059	3.2
70.06599	30.1
70.58839	5.2
71.04992	10.3
71.06901	4.6
72.08150	30.1
73.02898	7.4
73.59290	1.7
74.06062	2.0
79.05489	4.6
81.02985	3.1
81.03423	33.7
81.07047	3.4
82.06577	2.8
84.04496	2.6
84.08131	12.1
85.02905	100.0
85.06538	2.0
86.09702	16.7
87.00826	61.9
88.03999	2.1
88.60689	1.7
91.03946	2.7
91.05470	4.3
95.04971	4.5
97.02892	52.0
97.06506	2.4
99.04466	21.1
101.02373	1.7
103.05444	4.1
105.01870	67.9
105.03373	2.8
105.07011	3.4
107.04945	5.7
107.08573	2.3
109.02875	37.0
110.07142	4.3
113.05971	8.6
115.03902	2.2
117.01869	3.4
119.08560	2.5
120.08099	36.2
121.02869	8.6
123.08011	2.0
127.02968	4.1
127.03911	76.3
128.07063	3.5
129.01813	4.5
129.10228	7.5
129.85893	1.7
130.05009	2.1
131.04918	5.6
131.07018	7.9
145.04948	27.1
147.02907	2.1
149.06010	2.0
157.09856	1.8
159.02960	9.5
161.06049	2.4
166.08534	3.0
177.10146	2.9
192.48372	2.4
205.09837	2.7
213.03912	4.1
214.09082	1.8
214.11813	2.5
223.10794	4.6
231.04865	11.4
235.44464	1.7
264.14175	3.0
279.06396	2.2
293.08145	3.3
307.06073	3.7
308.06674	7.0
309.07144	2.2
322.08307	3.5
323.09073	3.2
343.22992	5.8
351.08746	14.4
361.24112	3.6
379.08026	35.3
379.20715	2.9
380.08511	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70012	1.4
53.03958	9.2
55.01869	7.7
55.05506	4.4
57.03437	8.1
60.04518	7.9
61.02922	7.5
67.05504	3.4
68.99786	4.0
69.03431	47.6
69.07038	3.0
69.62348	1.6
69.90554	8.3
70.06590	18.1
71.04995	10.1
72.08163	14.0
73.02909	6.7
74.59071	1.5
79.05469	3.8
81.03417	32.1
81.07043	4.4
84.04511	3.7
84.08147	5.4
85.02903	100.0
85.06550	2.4
86.09705	10.4
87.00309	3.1
87.00826	52.0
88.03999	2.0
91.05476	4.6
93.07044	2.3
95.08569	1.8
97.02891	50.1
99.04454	20.2
103.05426	3.5
105.01865	65.6
105.07047	2.2
107.04942	6.1
109.02137	2.0
109.02881	30.9
109.06508	1.8
110.07180	2.2
113.05997	8.9
119.08581	2.1
120.08101	15.4
121.02848	3.8
121.08453	4.4
127.03919	73.5
128.04228	3.5
128.07147	3.1
129.01831	3.2
129.10214	3.2
131.04941	10.3
131.06996	8.3
135.04359	1.9
135.40048	1.6
136.07550	2.2
138.09245	1.7
145.04951	29.5
147.04425	1.6
149.05922	2.0
159.02875	13.4
159.04048	2.6
183.05064	1.4
189.03885	2.3
200.07124	1.7
213.03911	1.9
223.10687	2.0
231.04930	13.0
233.04414	2.4
234.98978	2.3
279.06540	2.2
293.08047	2.1
295.06018	2.7
295.09369	2.1
307.05939	4.3
308.06778	7.9
309.07217	1.7
321.07446	2.1
322.08374	5.1
333.07413	2.4
343.22900	2.0
351.08661	14.1
361.10324	2.0
361.23950	2.9
379.08081	43.8
379.20450	1.6
380.08582	2.5
380.17218	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	378.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29008	33.9
62.88272	32.2
81.07043	58.2
88.07617	38.9
93.90802	36.0
105.06995	44.5
124.60888	32.4
128.86790	40.5
134.45378	31.9
177.05392	37.4
177.99791	34.4
212.60454	33.8
243.10081	37.0
249.11217	55.1
270.16965	36.5
273.14780	42.7
378.32239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01860	1.5
55.05507	2.1
56.05037	1.2
57.03421	1.1
60.04523	2.4
62.20777	1.1
62.42845	0.9
65.03927	1.4
67.05495	3.6
69.03431	4.7
69.07075	1.5
70.06599	7.5
71.04977	1.5
71.51609	1.8
72.08147	4.3
79.05513	4.9
81.03416	6.1
81.07063	5.8
83.04985	2.1
83.08597	1.2
84.04495	3.0
84.08138	3.2
85.02895	3.6
85.06534	1.2
86.09694	3.8
91.05478	23.9
93.07038	4.3
95.04951	3.9
95.08593	3.1
97.02879	3.3
97.06526	1.1
99.04459	1.5
103.05509	1.3
104.03416	1.1
105.03404	1.5
105.07034	4.1
106.06537	2.0
107.04978	7.3
107.06916	1.0
107.08575	3.3
108.05285	3.1
109.02908	5.6
109.06554	1.1
109.10182	1.1
110.03324	1.0
110.07177	2.0
111.08076	2.9
113.05993	1.1
113.57169	1.1
115.05401	1.2
117.06978	1.4
119.01913	1.0
119.04912	3.3
119.08570	3.6
120.08118	2.9
121.02872	2.3
121.06485	2.3
121.10135	2.4
123.04440	1.2
123.08053	1.7
127.03932	2.4
128.06253	1.5
129.07028	1.5
129.10233	1.4
131.04904	3.0
131.08557	2.6
132.05339	1.2
133.02866	1.3
133.10095	1.7
136.07573	1.7
137.02330	3.5
137.05945	1.0
143.08572	1.5
145.02884	2.2
145.04950	4.3
145.10107	1.4
146.05287	2.8
147.04456	1.2
147.07965	1.5
149.09595	1.5
151.03947	1.0
157.10150	2.9
159.11699	1.2
165.01840	2.3
171.11635	1.3
173.09631	1.3
181.04840	1.5
183.02855	1.9
187.03923	1.7
189.09052	1.1
190.72342	1.1
199.14842	1.7
201.09135	1.0
205.05017	1.3
207.06541	1.2
217.08546	1.5
227.05313	2.0
233.04428	1.6
235.07809	1.3
242.31477	1.0
242.98302	1.0
243.02921	1.0
270.05255	2.4
271.06146	3.5
279.06860	1.1
281.08130	1.5
283.06003	12.2
291.94006	1.0
293.09967	2.8
295.06000	3.7
295.09518	1.6
297.54141	1.1
305.08154	1.9
307.06216	1.5
308.06732	1.5
309.07507	2.3
311.09540	1.5
323.08951	5.7
333.07559	3.5
335.11005	33.2
351.08606	3.0
361.06979	12.5
379.10141	100.0
380.09686	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	378.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	34.7
56.96566	33.4
67.05494	38.8
68.67033	20.7
69.07065	30.0
70.06580	21.5
71.53400	25.0
74.86257	22.7
79.05490	45.8
81.07065	57.5
85.05800	20.1
85.06514	32.7
88.07644	23.5
91.05444	37.2
92.06400	20.5
93.07046	45.2
95.04987	25.3
95.08597	27.1
105.07028	38.0
107.08593	36.1
120.35845	22.0
131.08611	22.2
132.10204	24.6
133.10129	26.2
134.89038	24.5
135.04399	30.9
145.10139	36.1
177.05534	35.0
232.08565	21.7
243.10219	29.1
249.11179	26.4
286.27344	37.7
288.52060	20.9
303.38382	23.5
323.08133	26.3
325.86938	27.3
378.32022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1452
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
52.41755	0.3
53.03951	1.9
55.01856	0.7
55.05494	0.5
55.76432	0.3
56.05027	0.5
57.03433	7.7
59.04976	0.8
60.04504	0.6
60.26120	0.3
61.01116	0.9
61.02929	3.6
62.35835	0.3
64.55914	0.3
67.05478	0.7
69.03427	14.9
69.07051	0.7
69.52767	2.3
70.06260	0.4
70.06590	4.9
71.01344	2.2
71.04993	4.1
72.08142	1.0
73.02927	1.7
75.04476	2.6
79.05487	0.5
81.03414	4.9
81.07052	0.7
83.04913	0.5
84.08144	1.6
85.02876	1.0
85.06511	0.4
86.09699	1.7
87.04456	0.7
91.05453	0.6
95.04931	1.0
97.02894	0.4
99.04455	5.3
104.05315	0.8
105.07012	0.3
107.04919	0.5
107.08569	0.4
109.02887	0.5
110.07107	0.5
114.52319	0.3
116.05051	0.3
117.05484	1.4
118.06550	0.4
119.08577	0.4
120.08065	2.0
127.03893	0.6
127.08658	0.9
129.10211	0.4
130.06493	0.5
135.14151	0.4
136.07555	0.5
145.02911	0.3
145.06564	0.4
145.07608	2.0
147.09160	0.5
148.03928	0.6
157.06268	0.5
158.97305	0.4
159.09157	0.6
166.04997	0.4
166.63902	0.3
170.07143	1.4
172.08684	32.5
173.09070	0.7
174.10254	0.9
175.08669	0.7
176.06979	1.5
181.06577	0.3
186.10246	0.4
189.09125	0.4
190.05051	0.6
190.09802	1.6
197.09488	0.6
198.06616	7.3
198.10252	0.5
199.06868	0.4
199.09575	0.4
200.08202	4.6
201.09007	0.4
214.09726	1.1
216.07692	18.4
216.98055	0.4
217.08080	0.5
218.09244	0.9
224.11877	0.4
228.11237	0.4
229.08511	0.9
234.12338	0.4
234.98871	0.4
243.08766	72.2
244.07043	1.1
244.09169	1.9
246.09064	0.5
257.12680	0.3
299.10162	0.5
316.12479	0.4
317.11359	1.1
359.13379	3.4
359.22714	0.3
377.14539	100.0
378.14963	4.9
380.87674	0.3
389.47266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.9
55.01867	4.0
55.05512	4.5
57.03428	3.3
57.07082	1.5
61.01149	5.6
65.03930	1.8
67.05501	6.3
69.03435	10.6
69.07063	7.1
70.06575	3.6
71.04998	6.9
71.52290	2.2
74.92818	1.4
77.03927	5.6
78.03811	1.4
79.05485	8.4
81.03418	34.9
81.07053	17.7
83.04985	4.7
83.08634	3.3
84.08143	1.8
85.02908	5.5
85.06556	2.3
86.06057	4.9
86.09709	1.5
87.02711	2.0
91.05482	13.4
93.07060	8.4
95.04950	9.2
95.08592	7.7
97.02897	8.2
97.06499	3.4
99.04441	8.3
102.03733	2.0
103.05454	2.9
105.03410	3.3
105.07017	11.8
107.04940	9.2
107.08604	5.7
109.02873	18.2
109.06495	2.4
109.10149	2.6
111.04433	1.9
115.08705	1.6
117.07011	6.2
119.08570	6.9
120.04796	2.5
120.08108	2.0
121.02874	24.0
121.06519	6.4
121.10104	2.0
122.03200	13.7
123.04436	2.4
127.03917	69.8
128.06291	1.7
129.06987	2.7
129.99576	3.8
130.99847	2.0
131.04938	2.4
131.08580	7.2
132.78271	1.3
133.02850	34.8
133.06494	6.1
133.10147	4.9
135.04413	11.6
135.08034	2.0
137.05972	2.1
141.06931	1.6
143.08609	3.6
144.05687	2.3
145.06464	14.7
145.10110	10.8
147.04434	7.8
147.08040	12.2
147.11693	3.1
149.06013	2.2
149.07457	6.5
149.09648	1.9
151.03899	69.6
152.04230	1.4
155.08560	2.9
156.09329	1.5
157.06447	1.9
157.10132	2.0
158.07285	3.4
158.10019	2.1
159.04439	1.8
159.08179	11.5
159.11679	8.6
161.05891	2.2
161.09613	3.2
163.03894	2.6
163.11176	3.2
165.05495	4.0
169.10153	3.4
171.08112	2.2
171.11635	1.9
173.06010	4.4
173.09598	15.5
177.05476	2.0
179.07175	2.0
179.08661	1.5
185.09535	2.5
187.07501	3.5
187.11177	11.1
187.14851	2.8
191.07054	7.5
191.10698	1.7
197.09641	2.4
203.18155	1.5
206.11716	1.9
213.09081	2.8
215.07263	2.1
215.10675	26.6
229.13785	7.3
233.11717	100.0
234.11978	2.4
247.14746	15.4
250.01639	7.8
251.01968	17.4
251.12781	9.5
252.01199	2.2
264.05637	1.7
275.12720	1.7
341.13937	2.8
349.17264	1.6
359.14859	5.0
359.19934	6.6
377.05209	1.7
377.15918	42.4
377.19495	2.0
377.23831	2.0
378.16223	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.7
55.01880	5.2
55.05506	3.7
57.07063	3.8
58.50522	2.7
65.03953	6.5
67.05508	33.9
67.64761	2.6
69.03439	13.5
69.07054	5.1
70.32745	2.6
71.08627	6.8
71.52785	3.7
79.05495	7.4
79.65818	3.1
81.03423	57.7
81.07048	9.2
83.00401	2.6
83.08630	3.0
88.11272	16.3
91.05473	8.3
93.07049	7.2
95.01337	39.8
95.04977	96.2
95.08582	7.1
97.02910	5.6
97.06516	4.6
97.52894	2.8
105.07058	9.8
107.05003	3.0
107.08613	2.8
109.06500	5.0
115.05491	4.0
117.07022	4.8
119.08548	4.1
121.06510	4.0
121.10184	2.6
123.04411	4.3
128.06233	11.5
129.06961	4.6
131.04913	4.2
131.08600	5.9
133.06476	5.1
133.10123	5.7
135.07982	2.9
141.07025	4.2
143.08565	15.9
145.06471	9.2
145.10139	4.5
152.06163	3.6
153.06989	4.3
155.08545	4.0
157.06494	4.6
157.10170	5.1
159.11659	4.6
165.07036	10.9
165.12779	6.7
166.13129	3.8
167.08606	5.9
169.10106	4.7
171.08067	100.0
171.11708	4.3
173.13266	3.9
175.07578	2.8
178.07822	7.4
179.08621	13.2
180.09297	4.0
181.06458	6.4
181.10141	6.4
182.07260	6.3
183.08093	12.5
183.11731	3.5
185.09706	8.0
185.13347	3.4
190.07802	3.7
191.08569	5.4
192.09390	3.2
193.10155	6.8
194.07239	11.8
195.08044	28.6
195.11655	6.9
196.08731	6.7
197.09656	21.2
197.13351	3.3
199.07497	3.1
202.07822	6.0
203.08488	6.4
204.09344	3.5
205.06615	3.5
205.10143	7.9
206.07233	3.4
207.08093	11.6
207.11644	9.7
208.08850	42.7
209.09647	27.6
211.07596	3.6
211.11180	9.1
213.09070	5.3
215.08507	6.8
217.10138	9.9
219.08080	10.1
219.11809	6.4
220.08870	23.3
221.05968	3.1
221.09656	28.6
222.10419	13.2
222.12868	2.5
223.07578	9.7
223.11156	34.2
224.11716	3.5
225.09096	9.6
225.12740	10.7
229.10201	7.7
231.08049	9.3
232.08920	6.8
233.09668	9.9
235.07695	17.6
235.11169	60.3
237.09198	8.5
237.12756	12.1
242.11012	4.5
244.08757	5.6
244.12405	4.2
245.09639	23.9
246.10313	15.6
247.11224	14.0
248.08257	12.8
249.09138	8.4
251.10684	40.1
252.09367	3.9
253.12253	29.8
255.06400	4.7
256.08792	5.1
257.09729	14.2
257.12921	2.8
258.10434	7.6
259.11215	12.1
260.08466	3.3
260.11969	10.8
261.09326	6.5
261.12766	14.5
263.10703	43.6
265.08618	13.8
265.12228	6.1
269.09637	11.3
269.12689	2.6
270.10385	17.1
271.11014	13.7
272.11948	11.5
273.09116	7.6
273.12646	6.1
274.09860	3.5
275.10681	3.3
275.14264	7.4
279.25049	4.3
281.11926	23.2
282.10373	5.8
284.11917	2.9
285.09155	8.0
285.12753	20.2
286.09836	7.2
287.10718	15.2
287.14313	9.2
288.11499	8.4
289.12277	9.2
291.10391	2.8
295.11319	5.0
297.09079	8.8
297.12598	5.4
298.09882	32.4
299.10492	5.6
300.11508	24.3
301.12134	11.4
302.13016	24.0
303.13846	35.1
305.15405	6.3
312.11243	3.7
313.12216	54.4
313.15527	5.2
314.12860	3.8
315.13809	33.7
316.10718	4.5
317.11966	4.5
326.09424	5.1
331.13327	52.0
331.16992	4.6
333.14700	9.0
336.19315	4.8
341.11685	24.8
349.14627	4.1
359.12778	41.9
376.32086	3.9
376.36783	4.5
377.13849	71.2
377.24637	12.1
377.28485	11.5
377.32462	7.6
378.14334	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	377.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53389	1.2
51.60847	1.3
53.03936	1.8
55.01870	4.1
55.05507	1.8
59.28592	1.5
65.03937	3.5
67.05511	17.4
69.03438	7.7
69.03729	1.3
69.07089	1.9
69.92049	1.5
69.92358	7.7
79.05487	3.6
81.03422	25.4
81.07049	5.6
83.04968	1.5
91.05492	6.1
93.07043	4.7
95.01327	26.3
95.04976	46.3
95.08638	2.3
97.02932	1.5
105.07041	6.9
107.04967	4.3
107.08588	2.4
109.06509	1.7
115.05479	3.7
117.07007	3.9
118.13686	1.4
119.08595	4.8
121.06564	2.0
121.10175	2.2
123.04447	2.3
128.06271	7.7
129.06978	3.2
131.04950	1.6
131.08594	3.4
133.06474	2.2
133.10123	2.8
135.65816	1.3
142.07802	2.3
143.08556	11.8
145.06488	5.6
145.10143	4.4
147.11633	2.3
149.05989	2.1
153.06966	2.9
155.08575	4.5
156.09315	1.9
157.06572	2.2
157.10143	3.4
159.08038	2.4
159.11729	4.3
161.05977	5.4
165.07028	8.2
166.07738	1.5
167.08557	4.0
168.09305	1.8
169.10175	8.9
170.07323	2.1
171.08060	100.0
171.11696	4.6
172.08391	2.3
173.13322	1.8
175.07518	1.4
178.07753	3.1
179.08522	8.5
180.09331	2.7
181.10176	4.0
183.08026	9.0
183.11710	3.4
185.09657	3.7
190.07759	1.8
190.75629	1.4
191.08572	1.8
192.09299	3.1
193.10165	5.0
194.07330	3.7
194.10953	2.4
195.08064	16.6
195.11743	4.2
196.08847	2.5
197.09686	7.7
201.05536	4.8
202.07678	3.4
203.08611	2.8
205.10164	3.0
206.07265	2.6
206.10876	2.1
207.08073	6.5
207.11719	5.3
208.08833	14.6
209.09625	15.3
209.13315	3.9
210.10420	4.5
211.07565	3.5
211.11192	5.3
213.09082	2.4
215.08655	3.7
217.10126	7.5
218.07443	1.6
219.08105	5.2
219.11607	2.9
220.08813	9.0
221.09586	13.6
221.13232	2.2
222.10435	5.1
223.07562	5.5
223.11116	13.2
225.09114	4.0
225.12785	3.2
229.07079	4.4
229.10191	2.9
230.10939	2.8
231.08047	6.1
231.11685	2.7
232.08789	6.9
233.09653	6.4
233.13271	3.2
234.10538	2.0
235.07597	10.5
235.11165	24.8
236.08160	2.9
237.09148	4.0
237.12782	8.0
239.08546	2.4
239.10716	3.2
241.08572	5.9
242.10872	3.1
243.11784	1.9
244.08832	3.9
244.12575	1.5
245.09668	12.3
246.10419	9.1
247.11162	6.6
248.08203	6.7
249.09123	6.9
249.12738	2.3
251.10655	15.4
252.09235	1.9
253.12218	10.8
255.08324	3.2
255.11847	2.7
256.08850	2.9
257.09586	4.5
258.10382	3.8
259.11215	8.6
259.14877	2.5
260.11981	5.4
261.09097	4.2
261.12741	6.0
263.10724	15.1
263.13986	2.3
265.08649	6.4
265.12311	3.0
269.09818	7.4
270.10355	9.2
271.11197	6.8
272.08420	1.5
272.11923	7.3
273.09128	3.7
273.12695	5.4
274.09882	4.0
274.13452	2.1
275.10779	2.5
275.14322	5.5
276.11325	1.6
281.11838	8.8
282.10455	2.0
283.11166	2.4
285.09171	6.9
285.12747	12.4
287.10648	6.5
287.14075	3.4
288.11426	4.0
289.12140	4.7
289.15692	2.8
291.10147	2.3
291.13660	2.0
295.09775	2.4
297.09164	2.9
297.12509	3.2
298.09952	20.6
299.10590	4.4
300.11563	8.4
300.14374	1.5
301.12064	4.4
301.15509	1.8
302.12961	9.6
302.16312	3.1
303.13815	13.8
304.14127	2.3
305.15390	3.0
309.11060	2.1
313.12268	20.2
313.15601	3.1
314.12888	3.6
315.10434	2.2
315.13812	15.0
316.10983	3.6
317.11823	1.6
317.15231	2.1
326.09351	2.6
331.13342	29.1
331.16898	4.7
333.14917	2.5
341.11823	15.1
349.14066	2.1
359.12741	38.4
359.16519	5.3
360.13107	1.7
377.13684	29.8
377.17609	22.8
377.21100	2.0
377.28339	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	377.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01879	3.4
55.05500	1.5
55.92429	1.5
65.03926	4.6
67.05500	22.5
69.03414	7.1
69.07059	3.6
70.06587	2.1
79.05469	5.1
81.03415	31.1
81.07038	3.8
91.05479	6.5
93.07018	3.7
95.01337	30.0
95.04963	69.5
95.08599	2.4
97.06485	2.1
103.05505	2.0
105.07008	5.7
107.04959	3.2
107.08579	2.4
115.05460	4.4
117.07022	8.1
119.08578	5.1
121.02875	10.0
121.06500	3.7
122.03158	2.5
123.08040	1.8
128.06213	7.4
128.46979	1.8
129.06985	2.4
131.08582	2.9
133.06447	3.3
142.07780	2.9
143.08521	13.0
145.06476	8.4
145.10049	3.0
147.07997	2.3
149.05907	2.0
155.08487	4.1
157.10103	2.0
161.06068	2.3
165.06976	4.0
167.08499	4.3
169.10120	6.1
170.07262	3.7
171.08049	100.0
171.11707	6.9
172.08389	2.7
175.07480	2.2
178.07666	2.1
179.08493	6.1
180.09378	2.5
181.06499	3.2
181.10069	3.2
182.10860	1.8
183.08051	5.8
183.11685	2.0
185.09612	12.2
187.14876	2.3
191.08551	3.4
192.09294	3.4
193.10094	3.3
194.07277	5.9
195.08102	14.5
195.11710	3.0
196.08806	4.8
197.09636	11.1
199.07494	2.3
201.05460	9.0
202.07787	3.9
203.08557	4.3
205.04866	3.6
205.10051	3.1
207.08015	3.6
207.11661	6.1
208.08832	23.2
209.07770	2.2
209.09608	24.1
209.13243	2.0
210.10275	5.4
211.07562	4.3
211.11127	6.8
213.09122	2.7
217.10110	5.0
218.10822	2.6
219.06487	5.0
219.08253	2.8
219.11670	3.5
220.08891	10.7
221.09656	11.3
222.10394	9.7
223.07538	2.1
223.11165	22.2
224.11827	3.2
225.09102	3.1
225.12727	12.0
229.10074	2.5
231.08055	5.3
231.11667	1.9
232.08760	4.2
233.09613	5.5
234.10435	2.0
235.07587	16.4
235.11169	29.5
237.09151	3.9
237.12752	10.1
239.10622	2.6
241.10240	2.3
242.10861	2.3
243.11667	3.6
244.08725	2.4
245.09607	12.9
246.10466	10.3
247.11060	8.2
248.08318	5.2
248.12074	2.9
249.09106	7.4
249.12833	2.2
251.10704	18.9
253.12224	23.1
255.06462	6.5
255.08611	2.2
257.09619	8.1
257.13095	2.0
258.10379	4.5
259.11203	8.6
260.11926	9.2
261.09113	3.8
261.12677	9.1
263.10681	29.5
263.13885	2.8
265.08585	7.8
265.12259	4.2
269.09625	8.1
269.12634	1.8
270.10443	10.7
271.11090	5.5
272.11969	10.0
273.09186	2.7
273.12671	3.5
274.09937	4.3
274.13580	1.8
275.11041	1.9
275.14307	7.3
281.11771	21.4
282.10349	3.3
285.09146	4.4
285.12701	10.0
287.10660	6.1
287.14252	6.7
288.11465	5.5
289.12158	5.2
291.10135	2.3
291.13278	2.1
297.12677	3.0
298.09799	24.1
299.10532	3.5
300.11395	16.2
301.11917	2.9
302.13058	2.1
303.10443	3.1
303.13748	17.6
305.15341	5.1
313.12259	25.5
315.13721	21.1
316.10953	5.2
317.11584	3.0
331.13287	34.7
331.16992	4.0
333.14761	4.4
341.11749	9.5
359.12711	23.8
359.16772	3.0
377.13705	44.1
377.17560	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	377.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
53.94329	0.3
55.01876	2.1
55.05504	0.8
57.07069	0.3
64.74803	0.4
65.03925	1.4
66.19675	0.3
67.05504	7.8
69.03439	2.8
69.55573	2.1
79.05486	2.5
81.03419	15.5
81.07047	0.6
83.04980	0.6
83.08558	0.5
91.05499	3.0
93.03416	0.4
93.07043	1.8
95.01333	21.0
95.04970	25.3
95.08611	0.6
97.02882	1.8
97.06505	0.6
103.05444	1.3
105.04523	0.4
105.07020	4.2
107.04954	1.9
107.08606	0.7
109.02885	0.6
115.05429	2.7
117.07036	2.1
119.04942	0.6
119.08584	1.5
121.02869	0.8
121.06500	1.2
121.10137	0.8
123.04430	1.0
123.08055	0.4
128.06226	8.2
129.07002	1.3
131.04927	1.0
131.08553	1.0
133.06488	3.2
135.04411	0.4
135.08051	0.5
135.11696	0.7
141.06950	1.1
142.07785	1.0
143.08562	10.7
144.08923	0.4
145.06485	6.1
145.10112	0.9
147.04407	0.5
147.08083	0.9
149.05916	0.7
152.06229	1.5
153.06964	1.5
154.07684	0.7
155.04926	0.5
155.06033	0.7
155.08514	1.6
155.43680	0.5
156.05629	0.4
156.09114	0.4
157.06487	1.5
157.10130	0.6
158.07268	0.6
159.08052	1.2
159.11737	0.6
161.05971	8.9
161.09602	0.8
165.07011	3.4
166.07730	0.9
167.08539	2.8
168.05693	0.5
169.06499	1.0
169.10110	1.5
170.07266	1.3
171.08049	100.0
172.08371	2.4
173.05962	0.9
173.09625	0.7
175.07555	2.5
177.07033	0.6
178.07820	1.6
179.08537	4.5
180.09312	1.6
181.06514	2.1
181.10159	2.0
182.07243	1.9
183.08060	7.6
183.11623	0.6
185.05980	0.9
185.09662	2.6
185.11047	0.4
187.07584	0.4
187.11218	0.8
189.07050	0.6
190.07866	0.5
191.08578	1.3
192.09332	1.6
193.10121	2.0
194.07256	2.8
195.08066	12.3
195.11670	1.2
196.08795	1.6
197.05984	0.6
197.09612	6.0
197.13248	0.8
199.07634	0.6
201.05467	4.3
202.07779	1.8
203.08572	2.0
204.09253	0.9
205.06509	0.8
205.10176	1.6
206.07190	0.8
207.08012	3.8
207.11687	1.9
208.08823	11.3
209.09622	10.3
210.06815	0.8
210.10344	1.4
211.05757	0.4
211.07469	2.3
211.11148	2.1
213.09132	2.0
215.08575	1.0
215.14282	0.6
216.09370	0.9
217.10120	2.4
218.07246	1.3
218.10809	0.6
219.06140	2.0
219.08347	2.5
219.11691	1.3
220.08824	6.3
221.09619	8.1
222.10406	3.3
223.07645	4.3
223.11177	8.7
223.14598	0.5
224.11897	0.7
225.09120	3.9
225.12680	3.0
226.07813	0.6
227.08640	0.9
228.09253	1.1
229.10144	2.3
229.15768	0.8
230.10921	0.9
231.08067	2.9
231.11653	1.4
232.08838	3.2
232.12491	0.7
233.09589	2.7
233.13280	0.7
234.10352	1.2
235.07576	6.7
235.11163	12.3
236.08247	0.7
236.11714	1.0
237.09152	2.8
237.12740	5.2
238.12939	0.4
239.08632	0.9
239.10706	1.0
240.09308	0.5
241.10179	1.7
242.10916	1.4
243.11652	1.2
244.08789	1.9
245.09621	7.7
246.10455	3.7
247.07568	0.9
247.11160	4.3
248.08394	3.5
248.11813	0.9
249.09126	4.2
249.12741	0.4
250.09851	0.6
251.10696	8.7
252.09348	1.3
253.08214	0.7
253.10150	0.9
253.12308	6.2
253.15189	0.5
253.15977	0.5
254.11029	0.7
255.08026	2.5
256.08832	1.6
257.09628	3.3
257.13153	2.1
258.06778	0.5
258.10376	2.1
259.11157	3.5
260.08319	0.4
260.11975	3.0
261.09155	1.5
261.12671	3.7
262.13474	0.8
263.10699	11.1
263.14310	1.5
264.11102	0.6
265.08505	2.7
265.12250	1.5
267.11795	0.7
268.08716	0.8
269.09601	5.0
269.13077	0.9
270.10367	7.9
271.07898	0.7
271.11118	4.4
272.08905	0.8
272.11905	4.6
273.09131	2.6
273.12634	2.3
274.09811	1.5
274.12952	0.6
275.10724	1.2
275.14282	3.5
276.15079	0.5
277.08560	0.9
277.12241	0.8
277.15701	0.8
280.08859	0.5
281.11969	5.5
282.10352	2.2
283.11047	1.2
284.08307	1.0
284.11993	1.1
285.09091	3.2
285.12738	6.9
286.09903	1.7
286.13101	0.5
287.10663	5.1
287.14267	2.7
288.11438	2.9
289.12256	2.0
291.10117	2.1
291.13495	0.8
292.10953	0.6
295.10104	1.4
295.10928	1.4
297.09088	2.3
297.12735	1.5
298.09879	12.4
299.10602	2.4
300.08020	0.7
300.11423	5.9
301.08786	0.8
301.12210	2.6
302.12967	6.5
303.10498	0.5
303.13766	11.5
305.15402	1.7
307.13364	0.5
309.11179	0.9
313.12219	16.2
314.12921	1.2
315.10345	0.5
315.13776	10.0
316.11038	4.1
317.11877	1.0
317.15149	0.5
319.13385	0.6
323.10605	1.1
326.09424	2.0
331.13269	23.6
332.13669	0.8
333.14847	2.8
334.15530	0.6
341.11752	10.7
342.12180	0.8
344.10452	1.3
349.14337	1.0
349.21301	0.6
359.12766	36.1
359.20013	1.1
360.13049	1.6
377.13785	20.7
377.21014	10.9
378.14157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01866	3.4
55.02095	0.6
55.05505	1.2
56.05019	1.1
56.32103	0.6
57.03437	6.3
60.04528	6.7
61.02914	1.3
67.05497	1.4
68.99791	1.5
69.03428	12.6
69.07067	0.9
70.06597	7.5
71.04978	2.1
72.08159	3.3
73.02905	2.3
74.06081	0.9
79.05480	1.9
81.03415	12.6
81.07055	1.7
83.04988	4.6
84.04495	1.8
84.08148	5.3
85.02908	21.9
85.06531	1.6
86.06116	0.7
86.09702	4.6
87.00831	6.4
87.04473	1.5
91.05476	3.6
93.07046	1.7
95.04980	1.6
95.08607	1.0
97.02888	7.5
97.06554	0.9
98.06074	0.7
99.04456	4.8
101.06026	5.7
102.05525	0.9
103.05481	1.4
105.01846	5.5
105.07008	1.7
107.04951	1.4
107.08558	1.2
109.02874	11.3
109.03596	0.8
110.07176	2.6
111.04412	2.6
111.08065	1.1
117.01846	1.0
119.08535	1.2
120.08118	2.2
121.06528	1.6
121.10134	0.8
127.02973	1.0
127.03914	19.6
129.05479	100.0
129.10211	1.8
130.05762	1.3
130.06593	1.0
130.08592	0.9
130.12242	0.7
131.04973	0.9
136.07600	1.0
137.05981	1.3
145.04964	6.3
145.06560	0.6
146.06055	0.8
147.04370	1.1
149.05957	1.2
151.07539	1.6
152.07056	0.7
155.03728	1.4
156.07680	0.5
159.02911	6.0
159.09247	0.8
164.11821	0.6
167.07088	0.9
171.06651	0.7
177.05486	0.8
183.08063	1.0
188.07066	0.9
189.15945	0.6
206.08109	1.1
209.44334	0.8
211.07632	1.2
213.03893	1.1
223.04045	0.8
227.07011	1.1
231.05087	2.3
243.10210	0.9
255.06650	1.1
271.09732	1.2
288.09918	6.2
293.95502	0.7
302.11523	3.3
303.12375	2.7
317.11234	0.7
341.21552	1.4
359.11932	1.3
359.22714	3.9
377.13626	2.5
377.17831	1.2
377.24213	0.7
377.30057	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35048	3.0
56.96566	53.3
60.04529	3.9
62.97112	3.5
69.03429	4.9
69.77521	6.6
69.77934	12.0
70.06583	12.0
72.08138	6.2
73.02864	3.2
74.06084	3.3
84.08144	8.0
84.96037	8.2
85.02891	16.0
86.09716	5.1
97.02890	7.9
98.97588	100.0
104.10753	3.4
109.02888	4.0
110.97583	19.4
112.99146	9.0
116.07060	6.0
116.98628	48.3
119.01904	13.5
123.31660	3.6
127.00742	3.5
127.03889	5.9
128.98624	21.1
131.00128	8.1
131.01952	4.3
134.99641	14.0
140.00145	5.8
143.00166	12.1
144.10170	7.0
145.03534	7.6
145.04861	4.0
146.99640	11.4
147.03297	6.0
149.01183	9.4
152.98573	4.1
157.03468	4.7
158.99655	24.1
161.01224	10.1
161.02945	12.2
162.99197	4.8
165.04330	3.9
170.99719	7.0
171.03323	8.6
173.01207	12.5
173.02936	5.8
173.57590	3.6
175.04340	4.2
177.00728	36.3
179.02325	3.7
185.02898	4.9
189.00652	7.7
189.04359	15.1
189.05867	3.6
190.95392	3.8
191.02251	12.8
197.01237	12.7
201.00635	6.6
203.02328	8.6
204.01416	3.6
207.05382	4.3
214.95465	4.5
215.02280	44.6
219.01759	30.2
231.05252	5.7
232.96486	16.5
233.03348	15.2
233.07022	3.9
237.02821	42.1
239.02248	3.9
257.03275	6.7
268.03326	4.1
268.96582	5.4
275.02283	5.4
286.97482	13.7
291.07404	30.1
297.06369	6.7
304.98660	6.2
309.08511	73.3
317.05649	16.3
332.10275	4.9
333.08887	13.6
335.06451	22.5
335.10022	9.6
347.89929	3.9
351.09518	12.0
353.07684	4.4
377.07959	58.7
377.12799	29.2
377.18326	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	377.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91412	0.9
53.03931	1.5
54.17324	0.9
55.01865	1.1
55.05509	2.0
56.05021	3.5
56.96566	59.4
57.03428	2.3
57.27944	0.9
60.04511	3.3
60.05636	2.0
61.02910	1.4
67.05517	1.3
68.05036	1.3
69.03436	6.4
70.06602	13.8
71.04984	1.3
71.42471	1.9
71.95264	1.4
72.08158	16.2
73.02924	1.0
74.06084	6.2
79.97509	1.0
81.03429	2.0
83.04952	1.5
84.04503	4.3
84.08147	10.1
84.96033	11.5
85.02907	9.4
85.08467	1.3
86.06093	1.2
86.09711	5.6
87.04501	1.1
87.07986	0.9
91.05476	1.7
97.02892	4.0
97.96815	1.5
98.06007	1.2
98.97587	100.0
99.04458	1.1
102.05512	1.3
102.97014	1.2
105.03367	1.6
107.04971	1.1
109.02807	1.2
110.07137	1.7
110.97569	8.2
112.99094	2.8
116.07130	1.5
116.98627	62.8
124.99109	1.6
127.00695	2.1
127.03917	4.4
128.04269	1.2
128.07085	1.7
128.98596	15.9
129.05510	1.8
129.10239	4.2
130.05006	3.6
130.08646	1.0
131.00182	3.0
134.99661	23.3
136.07559	1.3
140.00206	2.5
140.07155	1.1
140.98596	1.7
143.00159	5.1
144.98079	1.4
145.01677	1.9
146.99651	11.5
147.03261	3.1
147.04353	1.3
147.07634	3.2
149.01259	2.7
152.98553	1.0
153.00937	1.5
153.02222	7.4
155.00188	2.6
158.01244	1.7
158.06075	1.2
158.99652	13.4
159.07619	2.0
161.01233	6.8
161.02995	1.2
162.99109	1.6
165.00647	2.3
165.04361	2.2
167.07022	1.2
169.01740	4.7
170.99646	5.5
171.03302	17.4
171.07655	1.2
173.01219	11.7
175.02739	4.2
175.08757	1.1
175.11894	1.3
177.00725	18.1
177.05630	1.1
179.00151	1.4
185.01176	1.1
187.02831	4.8
189.00668	7.0
189.04362	9.0
189.08694	1.6
189.12402	2.0
191.02272	9.7
193.03911	1.6
195.01764	1.9
197.01228	20.9
201.00726	4.4
201.04320	2.1
203.02391	1.5
203.12151	1.3
205.03912	1.9
207.01758	1.3
207.05460	1.9
209.03259	1.2
211.02800	1.8
213.04372	1.8
215.02275	76.4
216.02621	1.9
217.03925	1.9
219.01758	11.8
219.05219	1.2
223.05597	1.2
227.02261	4.0
228.05647	1.2
229.03845	2.1
231.05408	2.2
233.03345	26.6
237.02814	25.6
238.03926	5.8
239.02361	3.3
245.03325	3.4
248.16405	1.5
255.03806	2.9
256.05151	1.4
257.03360	9.6
260.04547	1.4
270.14487	2.2
275.04404	6.5
279.07343	1.4
287.04346	1.2
291.07425	9.7
293.05460	1.3
297.06424	2.3
309.08578	15.7
317.05466	39.3
332.10312	1.5
335.06500	48.9
336.06763	1.4
351.09509	1.4
353.07559	10.6
358.08127	5.7
371.08566	2.0
376.09253	1.4
377.07193	9.2
377.19199	3.9
377.24109	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	376.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.6
62.58707	3.6
65.03943	4.2
65.52766	3.2
67.05503	16.4
69.07046	5.8
71.53307	5.4
81.07031	5.0
81.42838	3.2
85.06523	11.9
91.05470	6.2
119.04934	5.6
131.04958	8.2
147.04391	10.2
159.04384	6.2
163.03830	5.8
173.06049	4.3
175.03912	100.0
176.04233	13.2
177.04254	7.3
177.05563	6.6
178.04675	4.9
187.03922	32.9
189.05531	7.6
199.03918	5.1
201.05452	4.6
203.03429	5.7
229.08641	34.0
231.09959	4.6
241.08626	29.7
243.10205	22.8
244.10521	6.0
245.08200	4.3
247.09619	52.6
249.10312	7.1
250.10645	6.5
251.10880	7.1
255.10229	4.6
259.09650	7.7
288.16098	3.9
295.13293	11.3
313.14316	24.8
317.15619	4.3
321.53033	3.8
331.15411	14.3
335.16602	3.7
376.19159	15.9
376.30319	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	375.2894
Annotation	15-HTPE
Peak:m/z	Relative Intensity
52.25961	2.9
53.03939	6.1
54.48911	2.8
55.01875	3.6
55.05503	25.0
57.07068	6.0
67.05513	36.6
68.99796	5.0
69.03439	22.3
69.07073	26.2
69.24950	8.8
69.25366	24.1
70.06592	7.6
71.04993	11.6
75.04498	4.1
79.05495	27.5
81.03419	13.6
81.06593	4.0
81.07060	57.5
83.04969	5.7
83.08626	10.3
84.08144	4.0
85.02904	9.4
85.06545	23.7
91.05481	21.3
93.07047	48.8
95.04958	5.4
95.08609	100.0
97.02879	4.9
97.06527	11.8
97.10150	8.9
103.05468	4.1
105.07027	45.1
107.08593	74.2
109.02851	7.9
109.06512	5.2
109.10159	58.2
111.08098	9.0
113.09663	7.8
117.07040	7.6
119.08579	49.5
120.08097	14.3
121.02901	5.8
121.06499	5.1
121.10146	49.2
123.08051	7.9
123.11723	16.2
125.09633	41.8
127.03941	11.1
128.06175	3.0
129.07014	4.9
131.08575	23.5
133.10120	34.5
135.08057	6.3
135.11681	35.3
137.05988	4.9
137.09604	16.2
137.13240	7.5
143.08588	8.8
145.10109	48.4
147.04446	6.7
147.11674	32.7
149.09612	10.0
149.13258	21.9
151.11197	10.0
153.12700	4.4
157.10132	14.4
159.11713	44.8
161.13260	33.5
163.07613	3.3
163.11223	11.6
163.14839	12.2
165.12732	8.2
167.07085	5.5
169.10147	5.6
171.11725	11.5
173.13261	29.4
175.03903	21.1
175.11340	3.6
175.14830	21.5
177.12737	7.1
177.16420	7.6
179.14352	8.5
183.11668	6.2
185.13277	10.7
186.14104	5.0
187.03943	9.4
187.14845	26.8
189.12880	4.3
189.16399	13.0
191.14308	8.8
193.15829	5.9
197.13214	6.4
199.14848	10.3
201.16391	24.6
203.14400	3.2
203.17926	7.3
205.15904	25.0
207.17439	3.5
211.14798	6.8
213.16371	11.5
215.18027	19.4
217.15970	5.1
219.17464	7.8
225.16525	3.9
229.08595	6.9
229.19545	14.3
231.17482	13.2
233.19011	4.5
239.17807	3.5
241.08589	8.5
241.19559	4.5
245.19037	6.1
247.09691	7.7
253.19614	3.6
255.17210	4.4
255.21074	6.0
265.00671	3.0
265.19693	3.5
269.19159	3.5
271.20496	5.9
273.22363	4.0
321.25793	13.4
327.26816	7.3
339.26807	85.2
340.27109	6.4
357.27924	26.7
375.13684	4.5
375.24823	6.7
375.29019	86.0
376.29239	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	375.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.8
55.05515	20.2
56.00970	1.9
56.53760	1.8
57.07071	3.8
59.41066	1.8
63.71992	1.8
65.03940	2.7
65.35209	2.0
67.05169	3.1
67.05504	28.7
69.03420	3.1
69.07066	17.6
69.63337	13.7
79.05493	34.6
81.03409	2.4
81.07053	55.5
83.04984	3.9
83.08598	4.7
91.05481	51.4
92.78524	2.1
93.07038	70.5
95.04965	36.7
95.08602	40.2
97.06522	8.3
98.21454	3.5
103.05448	5.9
105.04520	2.3
105.07030	100.0
107.08588	43.3
109.06509	8.5
109.10161	22.5
115.05415	2.4
117.07005	16.4
119.04900	2.3
119.08582	72.8
121.06505	15.3
121.10141	65.8
123.08052	5.3
123.11682	8.0
128.06180	8.4
129.06953	13.8
130.07779	7.4
131.08565	38.1
133.10121	41.6
135.08083	4.3
135.11682	14.9
141.06949	6.6
142.07784	19.7
143.08568	31.9
144.09312	7.1
145.06534	2.5
145.10117	51.0
147.08000	3.2
147.11668	19.0
149.13268	3.4
153.07004	2.2
154.07771	3.1
155.08560	9.4
156.09361	10.9
157.10115	39.2
157.93805	2.1
158.10896	5.0
159.08026	5.9
159.11688	29.8
161.09628	11.8
161.13240	5.4
165.07033	5.4
167.08527	5.9
168.09331	3.8
169.10150	16.4
170.10921	5.7
171.11713	17.0
172.12415	3.3
173.09662	3.0
173.13297	15.9
175.11258	2.9
175.14842	8.6
179.08551	7.1
180.09325	3.6
181.10080	10.5
182.10893	3.5
183.11658	14.1
184.12434	3.4
185.13283	11.1
187.11218	5.4
187.13379	2.1
187.14827	12.3
193.10112	6.2
194.10847	4.3
195.11752	11.1
196.12402	3.9
197.07555	2.2
197.13239	9.2
199.14816	8.6
201.16338	5.0
205.10199	2.3
206.10788	3.2
207.11726	5.6
209.13293	11.2
210.13989	4.1
211.11192	3.1
211.14839	10.0
213.12901	2.1
213.16447	3.6
215.14406	2.2
219.11659	2.4
221.13263	2.6
223.14809	6.9
225.16391	5.0
235.14790	5.2
237.16374	3.3
237.35306	2.1
239.17982	3.1
241.19406	2.1
243.11569	2.1
246.13762	2.8
247.14748	2.2
248.54945	2.3
249.16447	4.0
251.17967	5.0
253.15988	3.9
253.19415	3.0
265.19318	3.4
266.20316	4.3
279.20950	3.6
319.20651	2.8
333.22113	2.6
347.27216	5.0
357.25626	3.6
375.19391	4.6
375.26816	40.3
376.27151	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	375.1801
Annotation	Antibiotic DT 136A
Peak:m/z	Relative Intensity
53.03962	1.8
55.01874	10.3
55.05502	4.2
57.03432	1.6
59.04998	1.1
65.03928	1.8
67.05504	7.8
69.03429	8.6
69.07074	7.1
70.06595	2.8
70.30367	4.1
71.04992	4.4
73.02910	1.4
79.05489	5.1
81.03416	9.9
81.07032	6.3
83.04994	3.7
85.02905	7.5
85.06561	6.7
86.09704	2.4
87.00821	1.6
91.05487	5.6
93.07047	4.7
95.04986	1.7
95.08610	4.1
97.02897	4.3
97.06544	2.1
99.04468	3.0
103.05441	1.7
105.07041	6.3
107.04947	2.4
107.08602	3.7
109.02900	7.4
109.06534	3.0
109.10133	1.7
117.07052	3.8
119.04995	2.0
119.08572	4.4
119.55734	1.2
121.02837	2.4
121.06500	2.8
121.10133	3.2
121.13602	1.3
123.04425	1.9
123.08049	1.9
127.03929	7.6
128.06229	1.4
129.06981	2.7
131.04936	1.9
131.08566	3.4
133.06479	3.8
133.10164	1.6
135.04404	5.9
137.09671	2.1
141.01746	1.7
141.07030	2.0
142.07777	3.2
143.08582	4.4
145.06506	2.1
145.10156	2.7
147.04414	2.5
147.08058	1.9
149.02377	1.4
149.05940	2.1
155.08578	3.1
157.06538	2.6
157.10115	6.1
159.04428	6.1
159.08034	1.9
161.05939	4.7
165.05519	1.4
165.06992	2.6
166.07791	3.0
167.07021	6.1
167.08452	3.0
169.06554	1.7
169.10144	1.8
171.04459	1.9
171.08067	3.0
171.11703	1.9
173.06027	5.8
173.09656	2.1
175.03903	1.9
175.06209	1.4
175.07516	6.1
175.11201	2.0
177.05457	3.7
179.49982	1.3
181.10063	2.1
183.08092	2.2
184.08752	1.7
185.06053	4.7
185.09618	5.5
186.10172	1.9
187.03897	1.5
187.07549	5.8
189.05524	6.7
189.09160	4.1
193.10036	1.8
195.08035	4.4
195.11693	1.6
197.06041	2.5
197.09554	1.5
199.03839	3.3
199.07489	7.4
199.11185	4.8
200.08122	1.5
201.05516	3.8
201.09125	12.9
203.07037	3.0
203.10803	1.9
209.09566	7.2
211.07610	8.9
212.08295	4.7
213.05577	9.1
213.09067	16.1
213.12598	1.7
215.07057	2.2
215.10695	4.3
219.10159	5.5
223.07652	9.2
223.11115	2.1
225.09105	4.0
225.12746	3.3
226.09868	1.6
227.07104	3.8
227.10669	25.6
228.11244	1.9
229.08612	4.9
231.10152	11.6
237.09096	8.6
239.07037	3.1
239.10649	2.7
241.08659	7.7
241.12190	4.8
243.10150	5.4
244.10713	1.5
245.11804	4.7
251.10698	2.1
251.14406	3.2
253.08659	4.5
253.12241	6.1
254.09389	2.3
254.12918	2.1
255.06412	2.0
255.07362	2.3
255.10190	29.2
255.13785	5.3
256.10406	2.5
257.08060	2.8
257.11819	1.8
259.05978	2.9
261.11166	12.1
262.11584	1.4
265.08490	3.4
267.10233	3.2
269.11768	5.8
269.15366	13.7
271.09692	6.0
271.13382	1.6
272.10486	4.4
273.11215	28.3
273.14557	2.4
279.13867	14.0
283.09750	8.5
285.11163	2.6
287.08383	3.1
287.13028	2.8
287.16336	15.8
288.17078	1.8
289.10638	3.3
295.13290	2.0
297.11240	11.7
297.14865	40.3
301.10641	9.3
302.11371	1.6
311.16309	5.8
313.14389	5.0
315.12314	9.8
315.15839	55.5
316.16229	2.7
321.14804	3.4
325.10474	1.3
329.17542	6.1
331.15421	4.7
339.11917	2.0
339.15939	25.3
357.16971	100.0
358.17337	8.1
375.06171	2.1
375.13849	2.8
375.18085	28.2
375.22156	1.6
376.18149	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	375.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
54.58966	1.6
55.01870	11.1
55.05514	14.3
57.03437	5.4
57.07073	1.7
58.29191	1.3
61.02925	4.1
65.03942	2.4
65.78040	1.7
67.05508	20.9
68.99799	6.6
69.03431	67.6
69.07065	4.8
69.24564	1.2
70.06586	3.6
71.01352	4.2
71.04987	4.9
72.08142	3.0
73.02940	2.6
77.91026	1.3
79.05493	7.7
80.71379	1.4
81.03417	27.0
81.07053	15.5
83.04991	12.7
83.08621	1.6
85.02911	16.7
85.06547	29.9
86.09710	3.9
87.00818	9.3
87.10058	1.8
91.05490	9.6
93.07042	14.1
95.04962	19.1
95.08603	13.9
97.02891	26.0
97.06516	3.9
97.20792	1.4
97.75379	1.4
98.53213	1.7
99.04449	5.5
99.08117	1.5
103.03938	4.1
105.01892	3.5
105.03393	55.1
105.04491	2.6
105.07037	12.4
106.03729	2.0
106.22184	1.5
107.04975	5.3
107.08592	10.9
107.98097	1.5
109.02869	8.3
109.06516	11.5
109.10152	34.2
109.45650	1.4
111.04456	4.6
111.08074	2.3
113.09634	5.5
115.03934	4.7
117.07027	2.8
119.08578	5.3
120.08119	4.1
121.02844	11.1
121.06489	5.2
121.10157	2.9
123.04424	37.9
123.08076	2.9
123.11735	6.0
125.06015	2.8
125.09629	100.0
126.10015	1.7
127.03920	5.5
129.01857	5.4
129.06985	1.8
131.08597	4.3
133.06496	2.1
133.10129	4.5
135.04456	2.6
135.08083	10.9
135.11740	2.9
137.05963	4.6
137.09587	4.9
138.09177	2.2
139.03905	2.5
139.11206	2.1
141.01802	2.1
141.05452	3.9
143.08545	2.8
145.10153	3.5
147.02888	1.9
147.04424	4.5
147.08054	3.1
147.11685	5.3
149.09628	6.3
151.03893	2.7
151.07558	6.5
151.11162	5.4
153.01808	1.9
153.09125	3.2
155.10661	3.5
157.10182	2.5
159.02991	1.9
159.08038	4.7
161.05914	2.4
161.09644	2.5
163.03915	6.5
163.11197	2.7
165.01836	18.3
167.10728	4.5
171.11708	1.4
173.09595	1.4
175.03909	1.8
175.11159	5.1
177.01833	24.5
177.09200	2.1
178.02118	1.7
179.07062	6.6
183.02855	9.9
187.03882	1.8
189.01840	7.4
189.05521	2.2
189.12769	2.0
191.03404	26.1
191.10623	1.8
193.12254	15.2
195.02847	2.0
195.33133	1.8
199.11151	2.8
203.03329	1.7
207.02936	3.5
209.04353	2.0
211.13295	38.3
213.09004	2.0
215.03419	3.1
217.12291	11.3
219.02907	11.3
231.02898	14.3
235.13303	12.9
237.04074	1.8
243.02867	3.6
243.06526	20.6
249.03979	5.6
253.14395	3.1
255.06465	17.7
261.04010	4.8
267.06528	4.3
269.07962	7.9
297.07581	46.8
298.07809	4.0
309.07581	24.5
310.07834	2.3
315.09784	4.9
321.07520	12.8
321.13235	3.3
326.68530	2.0
339.08740	7.4
339.14310	4.3
357.09836	4.7
357.15457	5.9
375.11679	3.8
375.16476	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	375.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.7
55.01872	13.4
55.05270	1.5
55.05509	19.5
57.03428	10.5
57.07059	3.3
59.04981	1.5
60.04519	1.6
61.02922	5.0
65.03934	2.0
67.05506	26.4
68.99785	5.2
69.03426	89.2
69.07069	13.3
69.42742	3.6
69.43157	4.3
70.06602	5.6
71.01347	3.7
71.04990	6.0
72.08125	2.5
73.02914	2.4
73.75105	1.0
74.41553	1.0
75.87521	0.9
79.05489	10.8
81.03413	36.5
81.07052	18.9
83.04981	19.5
83.08593	3.7
84.04498	1.3
84.08138	2.1
85.02906	21.7
85.06535	27.8
86.09700	5.1
87.00834	12.6
91.05469	14.5
92.05797	2.5
93.07042	17.4
95.01318	1.2
95.04967	16.6
95.08595	13.2
97.02887	35.7
97.06528	5.6
98.20835	1.8
99.04448	11.1
99.08088	2.6
101.02332	1.2
101.05969	3.5
103.03917	3.9
105.01849	3.3
105.03370	1.2
105.07024	12.6
107.04924	4.3
107.08590	15.8
108.08139	1.6
109.02876	15.3
109.06512	15.1
109.10153	36.4
110.09703	6.5
110.10372	1.4
111.04430	7.5
111.08066	4.1
113.05990	2.5
113.09633	4.6
115.03924	5.5
116.07074	1.6
117.01743	1.1
117.07029	3.2
119.04921	1.7
119.08581	6.8
120.08091	2.5
121.06497	7.9
121.10114	5.1
123.04420	33.8
123.08040	2.7
123.11723	6.2
125.02345	1.3
125.05972	2.1
125.09623	100.0
126.09976	1.9
127.03912	15.9
127.07515	1.9
128.10678	4.5
129.01813	3.3
129.06978	2.4
131.08548	3.8
133.06453	4.7
133.10127	7.2
135.04434	2.2
135.08029	10.3
135.11674	3.4
137.05936	4.0
137.09554	5.1
139.03879	2.1
139.11201	2.9
141.05412	5.8
141.06956	1.5
142.07768	2.5
143.08525	2.8
145.04936	2.8
145.06445	1.1
145.10109	3.3
147.02864	2.7
147.04410	1.7
147.08043	4.1
147.11673	3.2
149.05934	1.7
149.09618	6.2
151.03955	1.4
151.07500	8.3
151.11209	6.0
151.12199	1.0
153.05499	1.4
153.09105	3.7
155.10672	3.5
157.10107	3.2
159.02887	3.0
159.08051	5.5
159.11699	1.4
161.05983	3.3
161.09573	2.7
161.13232	1.7
163.07431	1.4
163.11157	4.8
165.12680	1.3
167.07018	3.4
167.10649	4.7
169.04956	1.2
171.02814	1.9
171.08009	1.3
171.11610	2.0
173.09550	1.9
175.04106	1.1
175.07552	2.1
175.11179	7.0
177.09111	2.3
177.12691	1.0
179.06990	3.5
179.10612	1.5
181.12219	1.4
185.11700	2.6
189.04007	1.8
189.09122	3.0
189.12643	5.1
193.12250	17.0
199.11188	2.8
201.09033	1.3
203.10609	1.4
211.13277	37.4
212.13557	1.2
213.03856	2.6
213.08965	7.8
215.10675	1.1
217.12228	11.7
227.10634	3.2
229.08522	1.1
231.04926	1.6
231.10120	5.5
235.13260	13.9
245.06740	1.3
253.14345	2.5
255.07658	2.9
255.10165	3.1
261.11212	1.3
269.09106	2.7
269.15359	2.3
271.15176	1.2
273.11209	3.0
287.16409	1.1
297.14816	3.0
300.63760	1.0
315.09567	1.9
315.15906	3.2
321.12994	2.3
339.14328	8.4
357.16574	9.4
375.12024	3.2
375.15845	10.6
375.20404	2.4
376.16516	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01856	0.6
55.05509	0.8
56.41372	0.3
57.03433	0.4
63.02388	0.2
65.03926	0.6
67.05503	0.9
67.31326	0.2
68.99793	0.3
69.03432	2.4
69.07072	0.6
69.45053	2.1
70.06592	0.7
71.01343	0.4
71.05000	0.4
72.08147	0.3
79.05508	1.4
80.53420	0.2
81.03419	2.5
81.05830	0.3
81.07058	1.3
83.04973	0.9
85.02907	1.4
85.06542	0.5
91.05484	1.1
93.07047	1.2
94.06557	2.0
95.04965	0.8
95.08608	0.9
97.02885	0.9
97.06526	0.4
98.21510	0.4
99.04448	0.7
103.05478	0.4
105.07032	1.9
106.06557	1.3
107.04961	0.4
107.07344	11.5
107.08589	1.0
109.02868	2.2
109.10142	0.5
111.04442	0.8
117.06979	0.4
119.07298	0.3
119.08577	0.7
120.08116	3.9
121.08906	0.4
121.10140	0.7
122.09668	100.0
123.04436	0.3
123.10017	1.1
125.15224	0.3
127.03952	2.0
131.08607	0.8
133.06483	0.4
133.08942	0.4
133.10110	0.7
135.04459	0.3
135.11681	0.6
136.06578	0.5
136.07549	2.8
137.05975	0.7
142.07727	0.5
143.08537	0.4
145.10173	0.4
146.09660	0.7
147.08057	0.5
148.07578	0.7
148.11197	2.6
150.09146	6.1
151.03880	0.4
151.09933	0.3
157.10141	0.9
158.09659	0.5
159.11697	0.4
167.07074	1.7
169.10158	0.4
171.11789	0.3
174.09091	1.2
174.12779	0.5
176.10724	6.4
185.09729	0.3
186.09123	0.5
186.12798	0.5
188.10753	0.9
190.12300	2.0
193.08595	0.3
196.11136	0.4
198.12785	0.6
202.08527	0.4
202.12270	1.0
203.11913	0.4
204.10201	3.4
213.03966	0.4
213.09186	0.5
213.12770	0.4
214.12262	0.5
216.13831	0.4
224.10495	0.4
226.12254	0.6
230.11768	0.4
231.10103	0.4
232.11919	0.3
241.13390	1.2
242.11755	1.6
245.09184	1.4
252.10240	0.3
254.11830	0.5
261.12402	0.5
269.12979	1.4
270.11371	2.6
284.12912	0.8
287.13861	3.5
297.12271	0.9
298.10791	1.0
301.15393	1.0
315.10175	0.3
315.13361	8.7
325.11911	0.8
329.14862	2.5
330.13361	1.4
333.14459	8.8
333.18448	0.4
339.99033	0.3
343.12906	1.9
347.16022	22.9
348.16321	0.9
357.14410	7.9
358.12805	8.5
361.14035	1.4
375.15515	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	375.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01867	0.9
57.03427	0.6
61.02924	0.4
68.99752	0.3
69.03429	2.5
70.06572	0.4
70.55086	0.5
70.55457	0.5
71.04988	0.3
72.08128	0.3
73.02908	0.8
81.03411	2.9
85.02901	4.1
86.09688	0.6
87.00829	2.1
97.02892	1.5
99.04450	0.7
105.01846	0.8
109.02879	3.3
119.73940	0.3
127.03914	100.0
128.04259	1.3
129.01830	0.2
145.04955	1.1
147.02890	0.3
155.32494	0.2
159.02888	1.5
162.79832	0.2
213.11293	0.3
225.81903	0.2
231.04999	0.8
272.35403	0.2
312.96564	0.2
325.13388	0.2
342.06842	0.2
382.35706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00867	0.7
53.03938	1.2
55.01860	1.2
57.03423	1.0
59.94954	0.6
62.34451	0.7
62.61362	0.7
65.03937	7.2
66.60764	0.6
67.05492	1.5
69.03430	5.8
69.07082	1.2
69.38101	6.2
70.06589	2.7
71.04995	1.3
72.08158	1.1
79.05483	1.5
81.03419	5.2
81.07050	2.1
83.04980	1.6
84.08160	0.9
85.02902	3.9
86.09705	1.0
87.00803	1.0
89.03907	1.2
91.05475	3.0
92.05006	3.1
93.07050	2.9
94.06557	2.4
95.04968	1.6
95.07339	1.1
95.08604	1.2
96.08138	3.3
97.02885	2.1
97.06507	0.8
99.04455	1.2
103.03909	0.9
103.05440	0.9
105.03410	1.6
105.07033	1.5
107.08605	1.3
108.08119	7.9
109.02893	4.5
109.06490	0.9
109.10103	0.9
110.09679	6.9
116.04988	1.9
116.73975	0.7
119.04938	1.5
120.04449	8.6
120.08128	4.2
121.02825	0.8
121.06486	1.2
121.10097	1.1
122.06080	3.9
122.06792	0.7
123.04412	1.1
124.07583	2.1
126.81351	0.7
127.03940	6.1
129.07068	0.8
132.08073	1.0
133.10144	1.1
135.04466	0.8
136.07591	4.7
137.05975	1.8
138.05537	1.0
138.09145	8.2
141.06996	0.9
144.04454	4.7
145.06445	1.1
146.06007	0.8
147.04431	1.5
148.03929	100.0
149.04306	0.9
151.03874	1.3
154.08617	1.6
157.06532	0.7
157.10146	0.9
159.07928	0.7
161.05956	0.7
162.05499	3.8
166.04997	30.9
166.08649	17.1
166.09891	0.4
167.05420	0.7
167.07080	1.5
169.02618	0.8
171.07959	1.0
172.03934	17.9
172.05432	0.9
189.09122	1.1
190.04987	8.8
201.12720	0.9
204.06555	32.5
209.17662	0.7
213.03928	0.9
213.09116	1.9
222.07539	1.2
226.10951	0.8
227.11816	2.1
229.03194	7.1
229.12119	1.1
255.11275	16.5
273.12354	10.4
283.10773	13.0
284.11557	0.8
301.11823	90.9
302.12097	3.9
315.09805	0.8
319.12863	7.0
325.11942	1.6
329.14832	1.0
339.13257	0.9
343.12888	14.9
357.14728	0.9
375.11563	0.8
375.18387	0.8
376.17612	1.9
387.41757	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01863	1.9
56.05034	2.5
56.96555	3.7
57.03436	2.6
59.34106	1.4
60.04512	5.4
61.02921	2.5
67.05507	2.7
69.03424	11.0
69.07076	3.6
70.06586	15.8
71.05008	2.2
71.51713	2.4
72.08154	11.3
73.02908	3.2
79.05481	1.9
81.03435	10.0
81.04543	2.7
81.07057	1.8
83.04987	3.5
83.06100	5.2
84.04504	17.1
84.08147	15.6
85.02914	17.0
86.09708	26.4
87.00816	1.8
87.05601	4.7
87.06683	1.4
88.03974	2.4
89.05489	3.0
89.06033	55.4
91.05404	1.7
91.05833	1.9
95.04974	3.6
97.02901	7.9
97.06489	2.6
98.06061	1.6
98.97602	1.9
99.04462	4.7
101.07133	1.6
105.03379	4.0
106.02906	2.7
107.04942	3.4
107.07083	4.7
107.80100	1.5
108.08139	2.1
109.02879	8.1
110.07155	6.6
116.07087	2.5
116.10387	1.5
119.04980	1.6
120.08150	2.6
121.02902	3.9
121.74893	1.6
123.04445	1.6
124.03993	3.2
124.07575	2.3
127.03925	71.8
127.04932	3.6
127.08609	1.7
129.06557	2.3
129.10225	5.8
130.06491	2.9
130.08633	2.4
132.10152	2.2
133.08614	17.6
136.03886	2.3
138.76672	1.5
144.06575	2.7
145.04948	3.4
146.05986	3.7
147.04367	4.9
147.07637	2.7
151.09705	4.1
152.07045	2.6
154.04971	3.8
164.07039	1.5
167.07104	2.2
177.05492	3.5
177.11188	2.7
183.11197	2.0
187.04471	3.0
194.04300	1.6
194.08087	2.2
195.12296	100.0
196.12643	2.5
199.05334	3.1
200.14029	3.8
209.05582	2.0
212.09143	2.9
225.09860	1.8
226.08305	2.4
243.10980	3.0
243.13387	2.3
283.77347	1.6
289.05273	4.2
294.14383	4.2
343.33826	1.5
356.19431	4.0
374.10544	3.3
374.14743	2.8
374.21368	3.1
375.08820	6.3
375.22327	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	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
54.27984	0.9
55.01874	5.8
55.05505	2.4
57.03429	3.5
59.04494	0.8
61.02913	3.0
65.03925	3.1
67.05494	1.8
68.99794	1.3
69.03429	24.5
69.52078	6.6
71.04977	2.7
73.02909	4.7
77.69966	1.0
79.05516	1.2
81.03419	15.2
81.07040	1.8
83.04964	1.8
84.04517	1.8
85.02905	50.4
85.06544	2.5
86.09698	8.8
87.00829	22.3
91.05482	100.0
92.05804	1.9
93.07045	1.7
95.04975	2.2
95.08588	1.7
97.02890	17.1
99.04446	6.1
102.05508	1.7
105.01196	1.8
105.01864	27.9
105.06992	1.9
108.04477	2.0
109.02885	15.7
109.06490	1.5
109.10168	2.0
115.03949	1.2
117.01913	1.9
117.06990	1.3
123.04418	3.2
125.02262	0.9
125.09621	6.9
126.05534	1.5
127.03920	31.3
128.06209	0.9
129.01839	1.9
129.07011	1.0
131.08534	0.9
132.10168	2.5
133.06509	1.3
142.29457	0.9
144.25105	1.1
145.04956	15.0
145.06487	1.8
147.02826	1.5
157.06482	1.1
159.02869	8.3
159.08125	0.9
171.08066	1.4
175.07655	1.1
189.03932	3.2
195.06407	1.7
197.12976	1.8
211.13309	1.9
213.03868	1.2
215.13992	3.3
217.08578	1.6
231.05017	7.2
243.13284	1.7
249.06010	2.4
266.99741	1.1
269.65140	0.9
340.30542	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49942	0.3
53.03935	0.5
55.01850	0.6
55.05504	0.9
56.53764	0.3
61.01157	0.4
67.05503	1.1
69.03433	2.1
69.07038	0.5
70.02946	0.4
70.06590	8.0
71.04988	1.0
71.37849	0.8
72.08150	3.2
73.04745	0.4
76.77149	0.3
79.05475	1.1
80.04992	0.4
81.03410	1.3
81.07043	1.3
83.04969	1.2
84.04491	1.3
84.08140	6.1
85.02887	1.5
85.06564	0.3
86.09708	7.1
87.00837	0.4
87.05570	0.6
91.05447	0.9
93.07053	0.6
95.04978	1.0
95.08612	0.4
97.02904	0.8
97.06528	0.3
98.80608	0.3
99.04478	0.9
105.07018	0.9
106.02912	0.6
107.04948	0.4
107.08587	0.9
109.02864	1.3
109.06515	0.9
109.10163	0.4
110.07178	0.4
116.07118	0.7
118.06886	1.2
119.04979	0.5
119.08577	0.6
120.08114	0.3
121.10164	0.4
123.08059	0.5
124.03928	1.2
124.07546	0.6
125.04314	0.5
125.06058	0.4
125.09619	0.8
127.03898	1.1
129.10242	4.7
130.08566	0.4
131.04996	0.4
131.08475	0.4
133.06380	0.4
133.10098	0.6
137.05975	1.1
137.09593	0.7
144.06549	1.7
147.04442	0.4
147.07837	0.5
147.11516	0.6
151.07559	0.4
153.05498	0.8
161.09200	1.8
163.07582	0.5
167.07007	0.4
170.07971	0.3
171.05231	0.4
173.87126	0.3
175.11208	1.0
185.16548	0.3
193.12021	5.1
195.13585	3.1
199.17952	0.6
201.03726	4.2
201.05431	0.5
203.05249	11.6
207.06526	0.4
217.11900	0.5
235.94421	0.4
242.18587	0.5
253.12877	0.5
260.19724	0.4
269.08469	0.6
274.17456	0.4
357.06555	0.5
373.18329	100.0
374.18579	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	373.31
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90012	10.5
55.05503	23.4
66.32172	10.6
67.05495	46.1
69.03429	29.4
69.07062	36.8
79.05491	22.5
81.03415	11.3
81.07046	83.9
83.08570	11.3
91.05468	21.0
93.07045	70.4
95.08600	80.2
95.46514	11.1
97.06501	16.9
105.07021	45.7
107.08586	95.6
109.06493	13.6
109.10168	81.0
119.08592	45.1
121.10168	56.5
123.11703	43.9
125.09651	17.2
131.26227	9.4
133.10110	35.0
135.11664	57.7
145.10132	26.8
147.11726	60.3
147.12686	10.1
149.13264	100.0
157.10110	12.3
159.11682	24.6
161.13246	24.3
165.12721	11.8
173.13339	17.0
175.14865	15.3
187.14894	10.9
188.67572	11.7
189.16374	20.1
201.16418	19.0
203.17805	18.8
231.00288	9.9
269.22385	11.1
305.62280	9.9
337.28607	19.6
355.29849	37.7
373.14432	83.7
373.18533	25.6
373.31061	60.1
374.15424	35.1
386.43112	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	374.121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45738	1.2
51.46001	1.0
56.96569	5.6
61.07853	1.2
63.09465	1.1
68.31030	1.2
69.03427	1.9
69.97023	2.1
69.97412	3.2
70.06588	5.0
72.08162	3.3
81.03413	1.3
84.04492	1.3
84.08144	5.8
85.02901	5.2
86.09704	2.1
91.57457	1.5
97.02907	2.6
98.97575	8.9
110.97556	1.6
116.07066	1.4
116.98614	2.6
118.54601	1.1
119.01887	1.3
127.03911	3.4
129.10252	3.0
132.60124	1.2
134.54922	1.3
144.10211	4.0
161.01382	1.3
161.02980	2.2
166.08618	1.2
187.04497	2.4
194.08182	5.6
200.06055	1.9
204.09073	1.3
212.06021	2.5
212.09241	5.8
218.07095	1.8
219.01805	1.8
230.06938	2.0
237.02910	2.2
248.08105	1.8
254.06979	7.3
265.05969	1.8
272.08157	4.0
374.12125	100.0
375.12613	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	373.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74789	0.3
55.05511	1.0
59.34233	0.3
59.39496	0.4
65.03931	0.5
67.05472	1.5
69.03416	0.5
69.07059	0.7
69.46711	3.0
73.75842	0.4
79.05459	1.6
81.03384	0.4
81.07037	0.5
82.13595	0.4
83.04957	0.8
84.08110	0.4
85.06519	0.8
91.05494	2.0
92.04971	1.1
93.07059	0.4
95.01299	1.5
95.04935	1.7
95.08594	0.5
97.06544	0.4
99.93197	0.5
105.03381	0.5
105.07027	0.5
106.06547	4.7
107.04945	0.5
107.08569	0.5
109.06493	0.6
115.05402	0.6
116.04994	2.2
117.05750	0.5
118.06545	0.6
120.04479	6.4
121.06500	0.5
129.06944	0.7
130.06471	1.4
132.04404	1.3
134.06013	26.0
135.06331	0.8
142.07739	0.5
143.07211	0.4
143.08484	0.6
144.04454	2.7
144.08099	0.8
145.06485	0.6
146.06009	2.5
147.04422	0.4
155.07257	0.5
155.08504	0.4
156.08020	0.4
157.10057	0.5
158.06006	0.7
158.09601	0.5
159.04378	0.5
165.06982	0.6
167.08539	0.7
168.08113	0.7
169.08853	1.3
169.10173	0.5
170.05977	1.0
170.09596	1.7
172.03944	0.5
172.11110	0.6
175.03922	3.2
176.04172	1.3
176.07050	1.9
180.08104	2.1
181.08858	2.8
182.09596	0.4
183.06689	0.6
184.07529	0.9
184.11150	1.5
186.05493	1.9
187.03937	1.8
188.07018	0.8
190.04970	1.4
194.09694	1.8
196.07533	0.7
197.08313	1.5
198.05498	3.4
198.07135	0.5
198.07457	0.4
198.09125	3.7
207.11809	0.4
210.09103	2.1
212.06796	0.5
212.10718	5.7
222.09149	2.3
224.03343	0.5
224.10681	1.3
225.06480	0.8
226.06201	0.7
228.10118	1.6
229.08485	1.0
230.08820	0.5
233.13142	0.4
237.12822	0.6
238.08609	0.9
240.10178	9.4
241.08401	1.6
241.10561	0.8
242.04518	0.6
242.08859	0.5
242.11545	1.4
243.09911	0.5
248.09818	1.2
252.10222	5.2
256.09708	0.5
261.10226	3.5
263.14182	0.4
266.08029	1.0
271.08377	0.5
271.11206	0.8
275.08099	1.3
275.11435	0.7
280.09659	0.5
284.09137	4.2
285.09607	0.5
287.08173	6.6
287.11276	0.5
289.09753	2.6
290.10428	3.6
291.10956	0.8
298.10666	2.1
301.06497	0.5
301.09692	8.3
302.06937	0.5
302.10287	1.1
303.07605	1.1
303.11139	1.6
305.09308	2.8
306.09579	0.5
314.14584	0.5
315.11234	2.2
317.09262	4.0
318.09973	5.0
319.10724	4.8
325.09604	0.6
329.09158	3.0
330.09851	2.5
331.10693	7.3
331.16959	0.9
332.15244	0.6
339.11060	1.1
340.12006	1.3
343.10745	2.9
345.11716	0.4
345.15598	0.7
355.14313	12.9
356.14627	0.6
373.15314	100.0
374.15710	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	372.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20371	1.4
55.05505	5.7
57.07067	3.9
58.06599	16.4
59.04999	3.6
62.25631	1.2
65.03954	2.3
66.82056	1.2
67.05502	11.8
69.07071	24.8
70.06596	1.7
70.09445	1.4
70.65089	3.6
71.05011	2.1
79.05530	1.5
84.08144	19.8
85.06532	10.0
91.05475	2.2
98.39475	1.2
100.07598	1.8
105.07023	1.9
106.10582	1.4
115.05444	1.7
119.04909	1.5
126.09163	2.4
131.04944	4.8
144.10202	1.6
147.04420	6.0
159.04399	9.3
163.03952	5.4
173.06010	2.3
175.03909	100.0
176.04382	1.4
177.05484	11.1
187.03900	33.6
187.07481	2.6
189.05461	11.0
199.03830	7.6
201.05504	5.3
203.03394	5.8
203.06978	6.2
213.05458	4.8
213.08823	2.0
217.08556	3.7
226.06227	9.7
227.06958	2.0
228.07776	2.3
229.08582	23.7
229.10689	2.3
231.10176	11.0
239.07208	1.7
241.08585	23.6
243.10158	21.3
245.08102	9.4
247.09644	47.7
253.08632	2.8
255.09967	1.6
259.09698	6.7
265.10858	1.7
295.13300	5.8
313.14301	22.5
330.16919	6.0
331.15387	12.2
355.51764	1.7
366.21704	1.5
372.14590	16.2
372.18564	71.5
373.18652	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	373.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
54.96205	1.5
55.01865	3.2
55.05505	4.9
56.05025	5.3
57.03426	2.3
57.24646	1.5
57.90351	1.5
60.04527	1.7
60.47267	1.7
65.03942	3.0
67.05496	7.6
69.03417	7.1
69.07070	11.0
70.03769	5.4
70.04177	3.5
70.06594	26.3
71.04991	4.6
72.08161	14.2
79.05486	7.6
81.03434	6.8
81.07064	9.1
83.04973	5.8
83.06108	22.4
83.08617	3.4
83.67478	1.6
84.04507	31.4
84.08144	21.5
85.02914	6.8
85.06535	2.8
86.09708	100.0
90.14760	1.7
91.05473	37.8
93.07044	7.6
95.04972	5.5
95.08613	4.5
97.02887	4.8
97.06513	4.4
98.20861	2.5
99.08100	2.4
100.07587	2.1
100.11249	4.7
101.07139	4.6
103.05469	2.6
105.07024	4.8
107.04976	3.2
107.08601	5.0
108.04457	2.0
109.02887	6.4
109.06494	5.7
109.10130	3.5
110.07241	2.0
111.04435	5.4
111.08053	1.7
116.07109	3.1
117.51608	1.7
119.04937	30.6
119.08533	4.2
120.08078	3.5
121.06512	4.1
121.10104	3.8
123.04446	1.7
123.08075	2.4
123.11760	1.9
124.07594	2.6
127.03912	6.0
128.07086	3.5
129.06586	20.4
129.10255	15.0
129.73688	1.5
131.08617	2.4
132.02109	3.1
132.10213	27.9
133.10147	6.3
135.04431	2.2
135.08046	2.6
136.07558	4.2
137.05986	22.1
137.09676	3.1
141.10255	1.7
145.02962	2.2
145.10141	2.3
147.04398	26.5
147.07967	1.8
149.05931	2.7
151.03880	2.6
152.10728	3.5
157.03970	2.1
157.10089	4.3
157.13358	6.1
158.03625	1.9
159.07947	1.8
165.05458	2.1
167.06996	2.7
168.06544	3.4
169.13408	3.5
169.39580	1.9
175.03929	42.4
175.11292	3.0
177.05481	3.7
179.03435	6.2
179.07072	4.3
180.10184	1.7
182.15411	4.7
183.15767	5.1
185.12851	3.6
187.08836	2.0
189.12360	3.5
191.10571	2.3
193.12248	3.8
196.14479	23.5
197.12875	20.8
201.05472	10.5
203.14044	3.0
204.06529	2.1
207.06532	80.8
208.06949	3.9
210.14928	5.1
211.15121	9.3
214.15543	14.3
224.13950	7.9
225.12347	2.1
229.08620	3.1
242.15137	8.7
265.08829	2.0
269.30261	1.8
287.05475	7.8
290.06076	1.9
302.14447	2.3
313.11746	2.5
325.10834	2.8
338.21539	7.0
355.12555	2.8
355.17664	2.3
355.23517	15.4
356.22458	7.2
363.47186	2.0
373.13638	8.0
373.18378	14.1
373.24121	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	372.1805
Annotation	(-)-cis-Xylopinine N-oxide
Peak:m/z	Relative Intensity
55.05511	8.9
57.07076	6.2
58.06602	18.9
59.05000	11.3
65.03943	1.4
67.05515	5.1
68.41209	0.6
69.07069	6.4
70.06580	2.3
71.04989	2.5
71.07365	0.7
71.18114	1.6
72.08157	1.5
73.06549	1.2
74.46990	0.6
79.05493	2.5
81.07059	3.8
83.01353	0.8
83.04978	1.0
84.08144	5.6
85.06553	8.9
91.05479	5.6
92.91743	0.6
93.07050	1.4
95.08605	1.7
97.06505	1.0
100.07602	3.0
103.05474	0.7
103.97212	0.7
105.03418	1.1
105.07015	1.8
107.08614	1.3
109.02834	0.8
109.10170	1.5
111.11730	0.9
115.05489	1.2
119.04932	2.9
121.02888	0.6
121.06499	1.8
121.10132	2.0
123.11731	1.8
128.06230	1.5
129.07005	1.2
131.04921	6.7
133.06505	1.7
133.10048	0.8
137.06001	0.8
139.11205	0.8
141.06953	0.9
143.08586	0.7
145.06465	1.5
147.04414	10.3
148.04904	0.9
153.06976	0.6
155.08565	1.1
157.06561	0.9
157.10107	0.9
159.04417	10.2
161.05978	2.2
163.03928	4.1
165.06981	1.3
167.07103	0.7
171.04471	1.8
173.06027	2.3
175.03909	72.1
175.11188	0.8
176.04480	2.1
177.05466	16.0
179.08620	0.7
185.05971	1.4
185.09683	1.0
187.03914	29.1
187.07399	3.1
189.01849	0.9
189.05478	13.4
199.03931	11.3
199.07541	2.6
201.05460	7.0
203.03386	3.7
203.07001	2.1
203.10641	1.2
211.07567	1.0
212.04715	2.7
213.05479	9.6
213.09138	1.7
215.07033	5.1
217.05072	1.6
217.08611	1.5
223.07578	0.7
225.09319	0.6
227.07040	4.9
228.07675	0.9
229.08601	16.1
231.10168	12.1
239.07033	2.6
241.08591	16.2
242.08904	0.8
243.10184	17.4
245.08096	11.0
245.10403	1.1
246.11110	3.2
247.09671	7.1
253.08638	2.4
255.10129	0.7
257.08127	1.2
259.09656	6.3
260.09991	0.7
263.06961	0.6
273.11389	0.9
295.13318	2.3
313.14359	26.8
314.14575	0.9
323.12738	0.8
328.24750	0.7
330.16986	42.3
331.17511	1.2
372.18069	100.0
373.13739	0.8
373.18216	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	372.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23561	1.8
54.36309	1.5
55.05510	4.4
57.07069	4.1
58.06601	11.0
65.03944	2.7
67.05499	15.9
69.07073	11.4
70.78635	4.7
79.05493	2.4
83.38689	1.8
84.08144	14.9
85.06549	11.4
91.05484	3.0
105.59165	1.7
107.08584	1.6
109.10115	1.6
126.09138	3.2
131.04941	5.6
147.04434	9.0
159.04413	8.2
163.03929	4.0
175.03914	100.0
177.05513	7.2
187.03912	37.9
189.05524	7.7
199.03998	8.7
201.05487	5.4
203.03433	4.9
203.07082	5.7
213.05556	2.9
213.09052	2.5
215.07150	2.6
220.25656	1.7
226.06264	8.2
227.06969	3.2
228.07632	2.5
229.08569	28.5
231.10201	12.5
241.08595	21.9
243.10196	23.4
244.10687	1.8
245.08147	5.6
247.09665	60.5
248.10007	2.8
255.10097	1.9
259.09723	7.3
295.13327	7.6
313.14285	24.1
330.17020	2.3
331.15454	14.1
354.16968	7.1
372.18063	60.5
373.18439	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	372.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.2
57.07066	3.6
58.06601	10.7
59.04984	2.1
65.03928	2.6
67.05507	15.7
68.53595	1.1
69.06783	1.1
69.07075	10.8
71.04971	1.6
71.08519	1.6
79.05483	2.4
81.07020	1.5
84.08146	16.0
85.06555	6.7
87.04515	1.4
88.07666	1.7
91.05491	2.9
95.04970	1.0
95.08599	1.1
102.44955	1.2
106.62312	1.1
109.10159	2.6
111.19924	1.0
119.04959	1.1
119.08505	1.1
121.10114	1.6
126.09121	1.6
129.07019	1.5
131.04922	5.2
143.04947	1.9
147.04437	8.5
157.87459	1.1
159.04398	8.9
161.06046	1.4
163.03938	6.1
171.04546	1.5
173.05960	2.5
175.03914	100.0
176.04276	2.4
177.05486	9.5
178.05832	1.1
185.06001	1.8
187.03918	32.8
187.07538	3.5
189.05493	9.2
190.34666	1.1
199.03900	9.1
199.07539	1.9
201.05453	5.2
201.09262	1.5
203.03362	7.8
203.07054	3.8
213.05411	4.9
213.09169	1.9
215.07018	2.3
217.08562	2.4
226.06226	8.5
227.06950	2.6
228.07764	3.9
229.08611	30.3
231.06618	1.1
231.10158	10.0
239.07004	2.0
241.08603	24.8
242.08919	1.4
243.10188	26.9
245.08209	5.6
247.09660	65.0
248.09938	1.7
253.08693	2.3
255.10152	2.5
259.09650	7.6
265.10812	1.3
295.13202	7.6
313.14331	28.4
330.16980	2.8
331.15439	15.7
354.16928	7.3
372.18051	69.2
373.18353	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	372.1805
Annotation	(-)-cis-Xylopinine N-oxide
Peak:m/z	Relative Intensity
52.50039	1.1
55.05498	5.6
57.07069	4.3
58.06598	13.9
61.22083	1.1
65.03938	2.3
67.05499	14.3
69.03420	1.5
69.07066	16.0
70.06584	4.0
71.05000	1.6
81.86910	1.1
84.08141	17.5
85.06548	11.5
85.77428	1.2
87.04475	3.2
88.07638	7.2
91.05469	3.7
93.07037	1.3
97.21247	1.1
98.20702	1.9
98.71938	1.1
106.08638	1.4
109.10139	2.9
119.04939	1.5
121.10143	1.9
126.09164	3.5
131.04922	4.7
137.87239	1.1
144.10085	1.3
147.04398	9.3
155.22418	1.3
159.04407	9.8
163.03908	4.8
171.04466	1.4
173.05960	2.6
175.03905	100.0
176.04289	1.8
177.05513	8.1
187.03906	33.9
187.07510	3.7
189.05473	8.6
199.03925	6.4
199.07683	1.6
201.05508	6.7
201.09090	1.5
203.03419	6.0
203.07042	5.1
213.05507	5.5
213.09061	2.0
215.06996	1.7
217.05019	1.7
217.08533	1.7
226.06235	9.6
227.06934	1.7
228.07881	2.7
229.08588	30.5
231.10164	10.6
241.08588	23.0
243.10185	24.3
245.08057	7.6
247.09663	65.6
248.09898	1.7
253.08611	3.0
255.10158	3.7
259.09698	7.5
287.33987	1.2
295.13300	6.8
311.29446	2.5
313.14310	25.7
330.16934	4.1
331.15417	17.2
354.16937	8.8
372.18033	81.7
372.34717	4.2
373.18246	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	372.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19466	0.6
51.02377	1.4
53.03943	3.2
55.01869	1.0
57.03430	1.2
59.04984	0.9
62.00910	0.6
69.03429	10.9
71.04981	1.4
71.16946	1.1
78.03456	17.8
80.05022	2.4
81.03418	19.5
85.02904	9.0
96.04501	4.0
97.02878	5.9
99.04465	3.1
106.02917	72.8
107.03212	1.0
108.60567	0.7
109.02885	12.5
124.03953	100.0
127.03917	8.9
145.04941	1.0
153.47209	0.7
166.05029	1.4
196.06093	0.9
204.60335	0.7
212.26028	0.7
232.06033	3.4
250.07109	31.9
268.08167	33.4
269.17868	0.7
286.09235	3.0
347.82727	0.6
372.13010	2.1
387.96677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.144
Annotation	Papaverrubine D
Peak:m/z	Relative Intensity
55.05499	1.6
57.07057	1.0
58.06587	2.0
59.05005	2.4
67.05495	1.9
69.07052	1.9
69.98563	0.5
70.06564	0.8
71.07402	1.2
71.07732	0.7
71.76034	0.5
79.05488	0.9
81.03401	0.5
81.07053	1.0
84.08122	2.2
85.06542	1.5
91.05476	0.6
93.07044	0.6
95.08553	0.7
107.08596	0.7
119.04927	0.6
119.08551	0.6
121.02906	0.5
131.04903	1.2
145.10025	0.5
147.04413	1.5
156.35075	0.5
157.04094	0.5
159.04420	1.6
163.03851	1.4
171.88145	0.5
175.03914	12.7
177.05473	2.7
187.03917	5.4
189.05534	1.4
199.03899	1.1
200.06941	0.6
201.05525	1.2
203.03319	0.9
211.06209	0.7
212.07172	0.6
213.05476	1.8
214.05077	1.6
215.05658	3.1
224.07108	0.6
226.06427	0.9
227.05663	1.1
228.06541	10.9
229.08865	3.0
231.10229	1.9
238.04941	0.9
240.06598	2.2
241.08675	3.6
242.08167	1.2
243.05273	1.7
243.10149	3.4
244.06062	0.5
245.08101	0.9
247.09633	5.6
252.06566	1.5
253.07217	2.5
254.04350	0.5
254.08133	0.8
256.06039	20.9
257.06720	3.5
258.03894	1.3
258.07620	1.2
259.04788	3.2
259.09634	0.8
263.05597	0.6
264.06662	0.7
266.04562	0.6
267.05249	4.4
268.06097	4.4
270.04547	0.6
270.07681	6.0
271.08420	1.5
272.05597	1.7
272.09183	2.1
280.06052	1.7
280.09482	0.6
281.06799	6.3
282.07574	7.7
283.08176	0.6
284.05542	5.2
284.08539	0.8
285.06372	2.0
285.09753	0.8
286.07098	38.9
287.07574	1.6
295.13254	0.9
296.06329	0.8
296.09171	2.8
298.04141	1.2
298.07159	1.1
299.05237	0.6
300.05765	3.0
300.08676	41.1
301.08963	1.1
303.04343	1.5
307.08664	0.6
308.09360	0.6
313.14380	3.8
314.10196	5.7
324.08719	0.6
330.16974	2.8
331.15350	1.2
340.11996	0.7
351.04333	0.6
354.09970	2.9
354.14020	0.9
372.14413	100.0
372.18210	10.1
373.04944	1.6
373.14752	5.7
373.18604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90825	1.1
53.03948	2.8
55.01863	3.0
55.05512	2.3
56.05030	2.9
57.03430	2.6
57.92368	1.4
58.06581	1.8
60.04517	5.2
61.02930	1.9
63.38277	1.2
67.05497	3.6
68.05019	2.2
68.99790	1.3
69.03428	8.4
69.07062	2.0
70.06590	32.5
70.71809	2.9
70.72147	2.3
71.04983	2.1
71.06898	1.9
72.00871	19.4
72.08157	19.8
73.04743	3.2
74.06084	1.6
78.03470	3.3
79.05484	4.5
80.05004	2.1
81.03422	8.8
81.07046	3.2
83.06085	1.9
84.04505	7.8
84.08139	20.3
85.02901	15.4
85.08446	1.5
86.06095	1.9
86.09706	15.0
87.05582	1.7
87.10062	1.5
90.01894	1.4
91.05434	6.2
91.05818	7.3
92.05737	2.5
93.07048	4.5
94.06541	1.6
95.04984	3.5
96.04496	3.1
96.08148	2.7
97.02883	4.6
97.06535	1.4
99.04462	2.8
102.05556	1.7
103.05424	1.7
105.03394	4.9
105.07049	2.0
106.02916	15.8
106.06558	2.4
109.02909	6.8
109.06470	1.7
110.07169	4.7
111.04485	1.3
112.08738	2.6
114.83529	1.3
115.08694	1.8
116.07063	3.0
116.98662	1.9
118.06528	1.9
119.04940	5.4
120.04456	1.5
120.08083	2.8
121.06503	33.0
121.10184	1.4
122.06024	4.6
123.04441	2.7
123.06434	1.6
124.03951	32.4
124.07603	6.9
125.05873	1.5
127.03889	8.9
129.10231	11.5
130.04970	1.8
130.08682	2.0
131.04965	1.5
135.08084	1.7
136.07567	4.4
137.05957	2.3
138.05525	1.4
143.11914	1.5
145.04863	1.4
146.06007	5.0
147.04413	44.5
147.05461	2.5
147.06622	1.5
147.83028	1.7
148.07599	1.5
149.05920	1.5
150.05475	2.8
151.05876	2.6
152.07071	1.6
153.05609	1.8
159.04431	2.4
162.05545	1.7
164.07039	3.2
165.05473	26.6
166.08563	1.7
167.03381	1.9
173.12880	1.8
174.05508	6.4
175.03873	2.0
175.06271	6.8
177.05519	3.5
184.07568	2.9
192.06546	98.4
193.06940	1.6
198.09058	2.1
202.08681	4.3
210.07614	100.0
210.14966	1.6
250.07170	9.2
254.13889	3.1
268.08160	11.2
269.08655	1.6
281.05371	1.6
284.18549	7.0
285.00964	1.8
286.01053	4.6
354.18674	1.5
354.22656	1.7
355.25867	5.6
356.06976	3.7
372.16800	2.1
372.20291	1.7
372.23889	3.9
372.28592	5.0
373.10965	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	371.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.5
55.01861	7.2
55.05513	41.3
57.03436	8.0
57.07065	6.7
58.06601	2.3
59.05000	2.6
65.03934	3.6
67.05504	100.0
68.05819	2.0
69.03419	3.7
69.07072	62.0
69.43897	14.5
71.04980	7.4
71.08614	4.9
79.05494	39.5
80.11771	1.5
81.07058	87.3
82.07365	1.8
83.04985	5.5
83.08627	23.2
84.08149	3.9
85.06545	10.1
85.37534	1.6
87.04462	2.9
89.06004	3.4
91.05463	13.0
93.06492	2.2
93.07047	40.2
95.04994	1.7
95.08608	72.0
97.06528	11.2
97.10178	22.5
98.83095	1.6
99.08083	2.5
101.06013	2.3
105.07047	10.5
107.08593	32.3
109.06523	3.8
109.10159	51.6
111.08094	5.5
111.11694	3.9
113.09580	2.1
117.07010	5.2
119.08585	7.4
121.10146	15.5
123.08058	3.0
123.11707	15.4
125.09627	15.4
131.04907	1.9
131.08546	6.7
133.10149	9.6
135.08081	4.1
135.11688	27.8
137.09642	2.1
137.13249	11.6
139.11119	1.8
143.08528	2.6
145.10126	6.9
147.04439	2.7
147.11699	7.7
149.09619	2.6
149.13300	9.1
151.14810	4.5
153.09064	1.8
153.12733	12.4
157.47685	1.5
159.04414	3.1
159.11642	4.1
161.13312	7.8
163.11165	2.5
163.14828	6.3
165.12714	2.9
171.10115	2.1
173.11758	6.2
173.13240	8.7
175.03889	27.1
175.14877	1.9
177.05534	3.2
177.16368	2.5
179.14322	4.9
181.12221	2.5
187.03949	10.5
187.14841	3.6
189.05475	2.1
189.11212	13.5
189.16203	1.8
201.05418	1.8
201.16364	2.1
203.06999	2.4
209.15387	2.8
223.16870	2.7
226.06184	2.7
227.12735	6.2
229.08615	7.4
231.10196	2.8
233.22626	5.3
241.08583	6.3
243.10208	5.4
243.21042	12.0
245.08090	2.6
245.13817	4.4
247.09607	13.4
259.09741	1.8
261.22144	31.0
279.23193	67.9
279.26331	3.4
280.23587	3.3
285.00763	1.6
295.13092	2.1
297.24289	2.0
313.14362	6.0
330.16766	1.9
331.15479	4.5
353.26852	49.3
354.17099	2.1
354.27371	2.5
371.27884	4.5
372.18030	22.4
377.94904	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.5
55.01861	7.2
55.05513	41.3
57.03436	8.0
57.07065	6.7
58.06601	2.3
59.05000	2.6
65.03934	3.6
67.05504	100.0
68.05819	2.0
69.03419	3.7
69.07072	62.0
69.43897	14.5
71.04980	7.4
71.08614	4.9
79.05494	39.5
80.11771	1.5
81.07058	87.3
82.07365	1.8
83.04985	5.5
83.08627	23.2
84.08149	3.9
85.06545	10.1
85.37534	1.6
87.04462	2.9
89.06004	3.4
91.05463	13.0
93.06492	2.2
93.07047	40.2
95.04994	1.7
95.08608	72.0
97.06528	11.2
97.10178	22.5
98.83095	1.6
99.08083	2.5
101.06013	2.3
105.07047	10.5
107.08593	32.3
109.06523	3.8
109.10159	51.6
111.08094	5.5
111.11694	3.9
113.09580	2.1
117.07010	5.2
119.08585	7.4
121.10146	15.5
123.08058	3.0
123.11707	15.4
125.09627	15.4
131.04907	1.9
131.08546	6.7
133.10149	9.6
135.08081	4.1
135.11688	27.8
137.09642	2.1
137.13249	11.6
139.11119	1.8
143.08528	2.6
145.10126	6.9
147.04439	2.7
147.11699	7.7
149.09619	2.6
149.13300	9.1
151.14810	4.5
153.09064	1.8
153.12733	12.4
157.47685	1.5
159.04414	3.1
159.11642	4.1
161.13312	7.8
163.11165	2.5
163.14828	6.3
165.12714	2.9
171.10115	2.1
173.11758	6.2
173.13240	8.7
175.03889	27.1
175.14877	1.9
177.05534	3.2
177.16368	2.5
179.14322	4.9
181.12221	2.5
187.03949	10.5
187.14841	3.6
189.05475	2.1
189.11212	13.5
189.16203	1.8
201.05418	1.8
201.16364	2.1
203.06999	2.4
209.15387	2.8
223.16870	2.7
226.06184	2.7
227.12735	6.2
229.08615	7.4
231.10196	2.8
233.22626	5.3
241.08583	6.3
243.10208	5.4
243.21042	12.0
245.08090	2.6
245.13817	4.4
247.09607	13.4
259.09741	1.8
261.22144	31.0
279.23193	67.9
279.26331	3.4
280.23587	3.3
285.00763	1.6
295.13092	2.1
297.24289	2.0
313.14362	6.0
330.16766	1.9
331.15479	4.5
353.26852	49.3
354.17099	2.1
354.27371	2.5
371.27884	4.5
372.18030	22.4
377.94904	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1489
Annotation	CHEMBL1689340
Peak:m/z	Relative Intensity
53.03934	0.6
55.01876	4.0
55.05506	0.8
58.06591	0.8
67.05494	1.2
68.99791	1.8
69.03432	0.6
69.07037	0.5
70.55880	1.7
78.69103	0.5
78.95787	0.5
79.01854	1.4
79.05495	0.8
81.03432	2.3
81.07041	0.6
83.04964	0.5
84.57998	0.5
85.06537	0.5
85.51682	0.5
89.03870	0.6
89.06019	0.5
91.05441	0.8
92.99758	0.9
95.08564	0.5
97.02862	0.7
99.00806	1.2
103.17580	0.5
103.83702	0.5
105.07040	0.6
109.02923	0.7
119.04950	0.8
123.00854	0.7
136.50081	0.5
137.02350	3.2
137.05989	3.6
140.48756	0.5
141.01828	8.7
145.02847	1.1
147.00772	0.6
151.03845	0.7
151.07558	4.4
163.03859	0.5
163.43915	0.5
165.01842	100.0
166.02168	1.4
175.03902	5.2
177.05492	4.4
179.03400	0.6
183.02898	64.7
184.03282	1.5
187.03900	1.6
189.05490	0.8
191.03426	4.2
201.05476	0.7
221.08116	2.0
229.08626	1.4
241.08551	0.9
243.10197	0.9
247.09628	3.1
269.08255	0.7
295.13483	0.7
297.07547	1.5
299.05493	1.0
313.14359	1.7
315.08633	50.0
316.09015	2.1
331.15451	0.8
371.15207	10.5
371.25897	0.9
372.18298	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	371.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.8
61.01782	1.5
63.21622	1.5
64.83001	1.7
65.03956	1.6
65.81028	1.3
67.05505	15.4
69.07068	73.7
70.10328	4.5
73.06545	2.0
79.05470	1.9
85.06545	9.8
87.08112	2.2
89.06029	1.7
91.05479	2.4
95.08591	1.6
105.03419	6.2
106.25733	1.4
119.08563	1.7
127.30663	1.7
133.02853	4.5
145.02826	24.1
145.03868	2.2
147.04387	1.4
152.80975	1.4
161.02325	15.4
162.03056	2.1
163.03905	4.5
173.02341	51.4
174.02846	2.0
175.03952	6.5
187.04070	2.2
189.01833	17.5
190.02528	1.8
194.54944	1.5
199.03886	1.8
201.01820	96.1
202.02185	3.6
202.84636	1.6
203.03433	3.6
217.01314	42.5
218.02084	7.0
219.02885	100.0
221.07069	1.8
231.02887	17.3
241.08572	3.6
247.09727	1.9
259.05994	2.4
279.22992	1.7
285.07660	4.3
292.57208	1.7
299.05389	3.1
303.08633	18.3
318.00241	1.8
320.11203	1.5
371.10849	2.0
372.18149	3.5
393.84073	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1471
Annotation	LETESTUIANIN B
Peak:m/z	Relative Intensity
53.03950	1.0
53.11338	0.7
53.39468	0.8
55.01867	1.0
55.05503	2.2
57.07057	1.9
58.06598	2.2
65.03932	1.3
65.88375	0.6
67.05500	4.7
67.50476	0.6
69.03422	1.2
69.07079	3.4
70.06602	1.2
70.79156	1.6
71.04980	1.0
73.04740	0.8
79.05503	3.6
81.03424	2.1
81.07065	5.0
83.04969	1.9
84.08141	3.5
85.02912	0.7
85.06544	3.0
86.06064	2.4
86.09735	0.8
91.05479	3.5
93.07059	3.6
94.26451	0.7
95.04946	1.2
95.08620	3.0
95.09224	0.7
97.02896	1.1
97.58227	0.7
98.21443	0.7
99.08096	0.8
101.06013	0.8
103.05441	0.9
105.03411	0.8
105.07042	3.1
107.04967	3.7
107.08605	2.6
109.02927	1.2
109.06501	1.5
109.10176	2.5
110.40822	0.6
111.04481	1.1
111.35183	0.6
115.05508	1.1
117.06998	1.2
119.04966	2.6
119.08582	2.7
121.02899	0.9
121.06533	1.9
121.10153	2.0
122.03645	0.9
123.04439	1.8
123.11735	1.0
125.05994	1.2
129.07021	2.2
130.04198	0.7
131.04941	2.3
131.08575	1.4
133.06483	1.0
133.10165	1.9
136.07603	1.1
137.05971	6.0
137.09613	0.8
141.07057	0.8
143.08524	0.7
144.05730	0.8
145.06551	0.9
145.10132	1.2
147.04379	4.1
147.07974	0.8
147.11699	1.2
149.06078	1.4
149.09616	0.8
149.13287	0.8
151.03934	1.6
151.35669	0.7
155.08731	0.7
156.05782	0.7
157.06506	1.8
157.10037	1.1
159.04468	1.2
159.08054	1.9
161.06024	1.6
161.09621	0.9
163.03952	2.6
165.01796	0.9
165.07019	0.7
167.07030	16.1
167.08400	1.1
169.10130	0.8
171.08182	0.9
173.13280	1.1
175.03915	15.9
175.07545	3.0
176.04396	0.9
177.05534	3.1
178.38197	0.6
181.05023	1.2
187.03914	4.9
187.07523	3.5
189.05508	1.7
189.07120	0.8
189.09099	2.1
190.07878	1.1
191.03551	0.7
191.07063	1.2
191.14339	0.8
199.03944	0.8
199.07649	1.0
201.05432	0.9
201.09140	1.2
203.03505	1.2
203.06992	1.4
207.06516	3.4
208.06943	0.9
209.07166	2.4
217.08546	3.7
217.70668	0.7
218.07414	1.5
219.08113	1.0
221.09634	0.7
226.06306	1.4
227.03339	0.9
227.07181	1.0
229.08632	3.4
231.10181	1.9
233.09775	1.1
234.06760	1.6
235.07471	0.8
241.08606	4.5
243.10222	3.5
247.07480	1.1
247.09671	8.4
249.09183	1.2
253.05209	0.7
253.08569	0.8
259.09775	1.1
261.09189	2.7
262.09512	0.8
263.07315	1.7
265.08380	0.7
277.08609	2.0
278.09344	1.3
279.10205	1.9
281.11838	0.8
285.07684	1.0
292.07245	0.8
293.08377	0.9
293.11609	1.3
295.06238	0.8
295.13297	1.4
299.05527	6.9
300.09875	2.0
301.10797	0.8
306.09131	1.0
307.09711	1.8
309.11295	1.9
309.50504	0.8
311.09229	1.5
311.12802	0.9
313.07227	0.8
313.11172	1.2
313.14255	4.9
315.05017	0.8
321.11325	2.6
325.10925	1.9
330.17007	1.4
331.15448	2.4
339.08655	1.0
339.12463	2.9
341.13889	1.8
353.10367	2.0
353.14209	3.9
357.10947	0.9
371.14767	100.0
372.11038	1.2
372.14633	2.7
372.18640	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	371.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.05505	3.7
56.05048	2.4
56.96300	2.4
56.96564	29.0
57.03428	4.2
58.06602	2.0
60.05637	2.1
61.02920	4.2
65.03949	1.8
67.05509	2.9
68.04996	2.7
69.03426	14.1
70.06591	39.7
70.19349	2.2
71.04989	3.9
71.52178	3.0
72.08164	9.2
73.02912	4.9
73.04763	20.0
74.02429	5.6
74.06056	2.5
79.05502	2.3
81.03423	8.5
81.04523	5.1
81.07046	2.3
82.06618	1.9
83.04975	5.0
84.04515	14.4
84.08144	26.5
84.96033	3.7
85.02905	37.3
86.09707	9.6
87.04446	1.8
91.05804	100.0
94.06569	27.8
95.04956	5.6
97.02900	12.6
98.06079	1.7
98.97587	22.1
99.04473	3.5
101.02371	1.7
101.05974	2.9
102.05531	2.2
105.03388	6.6
106.06554	8.6
107.04950	3.3
107.80721	1.8
109.02876	5.1
109.06838	2.6
110.06019	3.1
110.07168	9.0
110.97594	4.1
111.04436	2.8
111.07497	2.4
112.08729	4.1
114.07356	7.1
115.02153	2.6
116.07067	3.3
116.98618	17.8
118.06520	11.7
119.04933	2.3
120.04472	12.9
122.06023	2.4
122.07137	10.8
123.04487	3.8
124.03960	4.1
124.07601	18.3
127.03898	8.5
128.07027	1.6
128.98570	6.9
129.06602	1.9
129.10257	8.4
130.05009	5.1
130.08681	2.3
132.04477	2.5
134.99631	7.2
136.07597	18.2
137.05946	2.7
137.67270	1.6
138.05482	2.6
139.11171	1.5
143.00163	2.8
145.04964	4.0
146.06009	21.1
146.99620	5.6
147.04486	2.8
147.06537	1.9
147.07645	4.9
149.01247	3.0
149.06027	2.5
150.05525	10.2
150.06546	1.6
152.06992	2.6
158.99658	4.8
160.07530	1.9
161.01242	4.3
162.05470	4.1
162.99081	2.0
163.08629	1.7
164.07039	4.4
167.05594	2.6
167.07057	2.8
169.03485	4.3
170.06000	2.8
174.05542	8.4
174.99167	5.2
175.64938	1.9
177.00740	4.9
177.05644	5.3
180.06430	1.9
181.09822	1.9
184.07556	2.4
189.00757	1.9
190.04933	3.3
192.06528	32.0
197.01256	8.8
197.12920	2.1
203.02228	1.9
209.06602	3.7
209.07002	2.9
209.09253	27.2
213.04222	2.2
213.06302	1.8
213.12386	4.8
215.02322	7.7
218.06349	2.0
219.01718	5.8
232.05910	2.3
237.02701	12.2
248.99161	2.2
258.83289	2.0
262.10934	1.9
266.99991	11.2
268.97861	23.5
269.98306	2.0
270.07578	3.4
281.09641	3.8
283.03098	2.8
285.00952	42.9
286.00894	3.7
299.06189	5.9
303.02026	9.9
304.02243	2.0
318.09583	4.6
336.10669	2.5
346.68155	1.8
353.01825	2.5
355.07031	25.0
356.06961	2.9
365.29498	1.7
371.14075	12.8
371.23444	12.3
372.12543	2.6
372.16617	2.5
373.07971	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1123
Annotation	Glycyrrhiza flavonol A
Peak:m/z	Relative Intensity
56.00778	0.3
58.25831	0.3
64.25038	0.2
68.99791	0.7
70.23080	0.9
70.23433	0.4
76.19592	0.3
92.99764	0.5
109.08254	0.2
119.04935	1.1
121.02847	2.6
145.02863	0.6
153.01804	0.5
163.03937	3.4
167.06998	0.3
176.65456	0.3
178.99812	0.9
181.01305	4.9
185.99300	0.3
187.03897	1.9
191.06981	0.4
197.00876	0.8
200.99236	0.3
213.05469	0.4
217.05040	0.5
226.10864	0.3
245.04457	0.6
253.04907	1.5
255.03024	0.5
255.06580	0.9
256.07321	1.0
269.04565	0.6
271.06049	1.8
273.03928	4.4
279.64081	0.3
283.05966	3.6
284.06793	3.6
295.05902	1.2
297.03955	11.4
298.04303	0.5
299.05496	100.0
300.05856	3.5
309.07507	0.5
311.08990	1.6
315.04987	8.6
325.10703	8.7
326.10809	0.3
335.08914	0.4
353.10193	7.3
371.11237	82.5
372.11569	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1125
Annotation	Glycyrrhiza flavonol A
Peak:m/z	Relative Intensity
63.33568	0.2
68.99803	0.7
69.03421	0.3
69.07059	0.4
69.85720	1.1
79.05495	0.2
81.07039	0.2
89.66100	0.2
91.05485	0.6
92.99809	0.4
93.07059	0.2
95.04979	0.2
95.08603	0.5
97.06507	0.2
99.76051	0.2
105.07021	0.3
107.01321	0.2
107.04980	0.4
119.04950	1.6
121.02857	2.1
121.10169	0.2
131.04979	0.2
133.06511	0.2
133.10121	0.2
137.06013	0.2
145.02855	0.6
153.01830	0.3
157.06451	0.2
163.03934	4.3
165.01860	0.3
167.07050	0.7
175.03848	0.3
178.99794	0.7
181.01311	4.7
183.02856	0.4
187.03860	1.5
197.00786	1.1
204.06499	0.2
209.06854	0.3
213.05513	0.6
217.08414	0.2
229.04961	0.3
231.03001	0.4
245.04425	0.6
253.04875	1.8
255.02908	0.4
255.06461	0.7
256.07376	1.1
269.04465	0.7
271.06015	1.4
273.03946	4.3
273.06729	0.3
283.06030	3.2
284.06763	4.0
285.07233	0.4
295.06003	0.6
297.03961	10.4
298.04279	0.4
299.05511	100.0
300.05893	4.0
300.09396	0.4
307.09531	0.2
309.07626	0.5
311.09103	0.7
313.07123	0.3
315.05008	8.1
316.05432	0.3
325.10733	6.4
326.11099	0.3
335.09088	0.5
353.10202	6.6
353.14514	0.4
354.10678	0.5
371.11246	65.7
372.11542	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	371.1125
Annotation	Glycyrrhiza flavonol A
Peak:m/z	Relative Intensity
55.05532	0.6
67.05521	0.2
68.99780	1.0
70.76560	0.5
80.80393	0.2
81.07106	0.2
91.05495	0.5
92.99793	0.6
93.07088	0.2
105.07063	0.2
107.01304	0.2
107.08630	0.3
109.10231	0.2
119.04955	1.7
121.02856	3.0
121.03703	0.2
121.06581	0.2
124.01659	0.2
131.04967	0.7
137.06053	0.2
139.00276	0.3
145.02835	1.2
145.06441	0.2
153.01881	0.4
163.03896	7.7
167.07051	0.4
172.03954	0.3
175.03925	0.3
178.99789	0.8
181.01311	6.0
187.03880	2.7
187.05495	0.2
197.00816	1.5
197.05907	0.2
199.02327	0.3
199.03966	0.2
204.06561	0.6
211.04041	0.2
213.05467	0.4
217.04866	0.2
225.05527	0.3
229.04956	0.2
231.02985	0.7
241.05107	0.2
242.05807	0.5
245.04390	0.9
253.04938	2.6
255.02901	0.7
255.06508	0.3
269.04492	1.0
271.05923	2.0
273.03909	6.1
283.06006	2.3
284.06760	0.6
293.44931	0.2
295.05951	0.8
297.03934	12.3
298.04407	0.5
299.05484	100.0
300.05856	3.4
309.03934	0.3
309.07391	0.3
311.05472	0.8
315.04965	13.2
316.05243	0.6
325.10693	7.9
326.11038	0.2
335.09024	0.3
353.10150	10.1
354.10553	0.6
371.11182	35.1
372.11530	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2952
Annotation	Besarhanamide B
Peak:m/z	Relative Intensity
50.00835	0.6
55.01879	1.3
55.05510	8.6
56.05024	2.6
57.03226	0.5
57.03444	5.0
57.07059	2.2
58.06592	2.8
60.04527	36.3
65.03927	0.7
67.05506	9.6
68.04678	1.3
68.05029	21.4
69.03436	3.2
69.07074	8.0
70.02945	2.6
70.06580	2.9
70.78687	1.8
71.08614	0.7
72.04520	18.9
73.02933	0.7
74.06065	1.4
76.82097	0.7
79.05501	5.9
80.05013	3.8
80.14557	0.7
81.03399	1.1
81.07061	10.1
82.06580	5.2
83.04973	1.5
83.08629	3.6
84.04491	4.2
85.02904	0.8
85.10149	0.7
86.06059	2.9
88.07619	1.1
91.05450	3.4
93.05742	0.8
93.07050	4.5
94.06560	2.9
95.04949	1.1
95.08600	7.2
96.04486	8.7
96.08129	1.0
97.06544	0.7
97.10155	1.9
98.06059	2.4
105.07031	2.5
107.08560	3.2
107.25854	0.7
107.71195	0.6
109.10144	2.1
110.06055	3.8
110.09643	0.8
111.08059	0.9
114.05533	22.9
116.07091	12.5
118.06522	1.0
119.08566	2.0
120.08128	0.9
121.02877	0.6
121.10110	2.3
122.05992	0.9
123.11699	1.5
131.08595	0.9
131.87398	0.8
133.10165	1.6
134.05989	0.6
135.11723	1.4
136.07559	1.1
147.11705	0.8
149.13260	0.9
156.74995	0.7
166.08636	1.1
191.17844	0.8
206.20515	0.7
208.06920	0.8
298.27475	1.3
304.26337	0.9
326.26740	0.8
334.27441	1.7
352.28491	13.0
370.29520	100.0
371.25958	1.1
371.29950	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	370.2123
Annotation	Celafurine
Peak:m/z	Relative Intensity
50.75917	0.4
50.86341	0.4
53.03944	1.2
54.63788	0.4
55.01856	0.4
58.45927	0.4
61.26042	0.4
65.03940	0.8
67.05495	0.7
69.03410	1.3
70.06592	1.9
70.74540	0.8
70.74921	0.9
72.08160	7.6
77.03921	0.8
81.03416	1.7
84.08148	2.7
85.02903	1.7
86.09765	0.5
91.05473	1.8
92.05792	0.8
95.04961	2.5
99.04475	0.5
105.03390	91.7
106.03727	0.9
109.02835	0.8
111.04458	0.9
112.11263	2.2
116.07131	0.5
116.68877	0.4
119.04955	2.5
120.05266	1.6
121.02863	68.8
122.03238	0.7
122.06017	0.6
134.06017	6.2
147.04414	2.0
148.04758	1.3
150.05466	0.6
152.07016	2.7
161.10739	1.2
162.09138	90.1
163.09473	1.3
175.03932	1.8
176.04250	2.2
176.10699	3.0
177.10204	0.8
178.08629	29.0
181.01328	0.5
187.03851	0.5
192.10204	8.4
207.06502	2.5
208.06912	4.5
208.14043	0.6
221.14867	0.5
233.16455	2.1
248.09186	1.5
250.19194	2.7
273.03943	0.7
297.03925	1.2
299.05490	10.2
315.04709	0.6
325.10724	0.8
352.11185	0.8
352.20050	0.8
353.18402	0.7
370.21255	100.0
371.06729	0.4
371.11292	6.9
371.21500	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	370.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01865	1.3
57.03422	2.1
59.04991	0.7
59.27003	0.6
61.02906	2.1
67.05508	0.9
69.03096	0.8
69.03431	9.6
69.07043	1.2
69.34460	6.2
70.06595	12.5
71.04666	0.9
71.04995	11.6
72.04504	1.4
72.08141	1.7
73.02905	1.3
81.03419	3.5
81.72672	0.8
83.04997	0.9
84.04489	1.0
84.08096	1.5
85.02904	15.0
86.09685	2.7
89.27666	0.7
91.03940	1.4
91.05442	1.0
92.05785	1.4
94.06544	0.8
95.04951	1.1
97.02890	6.1
99.04437	1.8
105.01873	1.2
105.03364	1.0
107.05015	0.7
109.02846	2.4
110.07125	1.0
113.06015	12.5
115.03941	1.2
119.04913	2.8
120.05270	0.9
120.08076	0.8
121.02829	1.1
124.03948	1.6
124.41502	0.7
127.03918	5.6
129.10240	1.3
131.07045	17.0
136.07547	1.6
137.06035	0.7
137.07834	0.7
145.04968	3.7
145.08598	61.5
147.04369	1.5
148.04764	1.8
148.80789	0.6
159.54077	0.8
162.05453	1.9
163.03912	5.8
164.07016	1.2
165.07349	1.3
167.06961	1.0
173.08099	8.1
175.03897	3.0
176.04228	3.0
190.03159	0.6
191.09158	6.4
193.03699	30.4
193.05478	1.6
194.04042	1.1
202.67737	0.9
207.06506	4.3
208.06036	100.0
208.09639	5.6
209.06357	2.7
229.11830	2.1
266.35471	0.8
269.46286	0.7
285.00702	0.7
302.90982	0.6
325.10776	1.6
352.10999	1.3
370.11456	2.9
370.21371	1.2
371.17114	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01885	1.2
55.05505	1.2
57.03431	2.3
61.02919	3.4
62.52080	0.8
63.83842	1.0
65.37209	1.0
67.05482	2.2
67.66920	0.8
69.03428	10.1
69.07040	2.2
69.48499	1.4
69.48904	6.3
70.06593	29.1
71.04993	17.8
72.04515	3.0
72.08160	4.4
73.02890	1.3
74.06075	0.9
79.05493	1.6
81.03414	5.8
81.07079	1.4
83.04961	1.0
84.04493	2.1
84.08144	4.7
84.44166	0.9
85.02911	20.9
86.09707	5.7
87.04454	2.5
91.05443	2.9
91.60591	0.9
92.05799	1.2
95.05008	1.3
95.06123	1.0
97.02892	9.0
98.20776	2.1
99.04463	2.1
105.03406	1.8
105.07082	1.2
106.02972	1.1
106.03719	1.3
107.08582	1.4
109.02869	3.0
109.05254	1.0
110.07166	3.2
113.06002	15.7
116.07086	1.4
119.04919	3.7
120.05294	2.2
120.08057	1.3
124.03961	2.3
127.03937	9.2
129.10242	2.8
130.08640	1.0
131.07047	25.2
132.06532	1.7
133.04985	1.3
135.04420	2.0
136.07600	2.0
137.07953	1.5
145.02858	2.0
145.04968	5.5
145.08598	82.3
147.04401	3.2
147.11671	2.0
148.04727	2.4
148.12003	1.9
160.07573	1.1
160.85960	0.9
162.05518	1.4
163.03902	13.7
164.07077	2.2
167.07047	1.8
167.41129	1.0
169.10013	0.9
169.13263	0.9
173.08084	14.1
173.09496	1.3
175.03911	5.7
176.04227	5.6
180.08693	1.6
182.08150	1.4
183.08487	1.7
190.13025	1.1
191.09135	11.3
193.03699	39.4
201.10287	1.0
207.06512	7.1
207.13661	1.0
208.06007	100.0
208.09392	12.1
208.14169	1.8
209.04416	2.0
209.06389	3.0
229.11801	5.9
319.33411	1.1
352.10864	1.1
370.11469	3.2
370.21274	2.2
371.16681	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01860	0.6
57.03436	0.8
58.36950	0.2
59.05010	0.1
61.02925	1.0
67.05494	0.2
67.69252	0.1
69.03434	2.6
70.06589	2.8
71.05001	0.2
71.06924	0.2
72.08147	0.2
73.02900	0.6
81.03410	1.4
81.07052	0.2
84.04484	0.2
84.08150	0.3
85.02908	5.8
86.09681	0.3
87.04446	0.5
91.03947	0.5
91.05479	0.4
92.05817	0.3
97.02898	2.3
99.04473	0.3
100.48594	0.2
105.03409	0.3
105.76370	0.1
106.06547	0.6
107.04939	0.3
109.02889	0.9
112.23956	0.2
115.35714	0.2
119.03633	0.2
119.04919	0.2
120.05264	0.2
121.02872	1.8
127.03927	1.3
134.06013	1.5
136.07590	0.6
137.07909	0.3
140.49133	0.2
144.05537	0.2
145.04945	0.7
147.04398	0.3
148.03831	0.2
148.04858	0.2
157.04076	0.2
162.05505	4.2
164.07034	0.7
165.07387	0.7
175.03923	0.4
176.04204	0.5
179.05687	0.2
182.08115	0.6
183.08485	0.7
189.27376	0.2
190.05035	1.1
193.03670	0.9
207.06540	0.7
208.06046	100.0
209.06390	1.6
229.11795	0.4
249.21655	0.2
281.40082	0.2
319.80191	0.2
352.11060	0.4
370.11334	1.8
393.47458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2635
Annotation	Protoconstipatic acid
Peak:m/z	Relative Intensity
53.03942	8.0
55.01867	7.7
55.05266	4.0
55.05508	35.0
57.03428	8.6
57.07069	5.1
58.80259	2.8
66.36655	2.6
67.05506	100.0
69.03419	7.4
69.03777	2.5
69.07072	21.4
71.08633	21.0
71.53304	3.2
79.05489	47.5
81.03403	5.9
81.07058	65.3
83.04972	6.6
83.08645	19.2
85.06558	5.4
91.04990	2.8
91.05495	30.6
93.07049	64.0
94.07400	2.5
95.04968	11.0
95.08607	43.4
97.06525	7.0
97.10174	19.3
97.54669	2.7
99.08108	11.5
105.07033	32.0
107.04938	3.5
107.08591	63.0
108.08904	3.1
109.06533	6.9
109.10165	54.9
111.08076	3.8
117.07019	6.9
119.08591	25.1
121.10154	26.5
123.11718	8.5
125.09624	15.2
128.85588	2.5
129.06967	5.0
131.08557	8.3
133.10107	17.4
135.08080	6.2
135.11691	35.8
137.09605	3.0
143.08528	5.0
145.10153	7.4
147.11705	14.6
149.02287	3.1
149.13266	15.6
151.11185	10.3
153.12730	2.4
157.10133	6.1
159.11693	7.2
161.13274	8.7
163.11229	5.5
163.14738	3.8
165.12808	3.0
171.11665	6.7
173.11760	6.5
173.13213	6.5
175.03920	8.6
175.14850	6.5
177.12755	10.1
179.14314	45.8
185.13249	3.2
189.11224	17.2
207.06586	5.9
209.15404	3.8
219.06586	13.5
227.12834	9.9
235.16841	3.3
241.19484	6.1
245.13847	12.0
246.66991	3.7
259.20593	20.5
276.28354	2.7
277.21631	69.1
351.25311	44.8
369.12665	21.8
369.26477	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	370.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01865	0.6
57.03420	1.1
59.04988	0.3
60.04517	0.2
61.02921	1.4
67.05473	0.2
69.03432	4.3
69.07049	0.3
69.70490	1.8
70.06590	4.3
71.04968	1.1
72.04507	0.7
72.08154	0.6
73.02883	0.7
79.05479	0.4
81.03411	2.3
81.07067	1.2
83.04988	0.3
84.04492	0.5
84.08121	0.9
85.02901	7.9
86.09685	0.7
87.04452	0.8
91.05462	0.7
92.05785	0.3
93.07011	0.5
95.04935	0.4
95.08598	0.3
97.02889	3.0
98.20767	0.5
98.97570	0.6
99.04440	0.7
105.01823	0.4
105.07023	0.3
106.06548	0.4
107.08596	0.5
109.02898	1.5
109.05282	0.4
110.03185	0.3
110.07131	0.4
113.06030	0.6
119.04913	0.6
120.05260	0.4
120.08130	0.4
121.02852	1.0
124.03975	0.3
127.03912	2.2
129.10153	0.3
131.07028	1.4
134.05986	1.0
135.04367	0.6
136.07570	0.4
145.02859	0.6
145.04950	1.4
145.08588	2.8
147.04375	1.0
148.04761	0.4
151.03833	0.4
162.05508	3.1
163.02588	0.3
163.03912	4.5
164.07027	1.0
165.07426	0.3
173.08147	0.4
175.03839	0.6
176.04204	1.0
182.08134	0.5
183.08450	0.5
190.04976	0.8
191.09183	0.3
193.03708	15.1
194.03967	0.4
195.07767	2.1
195.57986	0.4
200.04437	1.2
204.08327	0.3
207.06517	1.4
208.06042	100.0
208.09583	3.7
209.06425	2.0
211.57617	0.3
212.10811	0.3
215.59052	0.3
229.11813	0.9
230.11629	0.4
231.04922	0.3
259.43805	0.3
269.10675	0.4
352.10803	0.5
370.11359	2.2
370.18442	0.3
389.14957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	6.6
55.01877	5.7
55.05513	34.2
55.35947	3.6
57.03436	10.3
57.07090	5.3
65.03931	4.7
67.05502	100.0
69.07071	24.6
69.30625	34.4
71.08632	31.1
79.05495	63.5
79.45123	3.7
81.03423	10.9
81.07059	88.8
83.04967	13.9
83.08613	17.1
85.06533	5.4
87.52616	3.6
91.05472	35.6
93.07043	67.3
95.04964	10.8
95.08600	43.1
97.06509	11.2
97.10183	22.0
98.21508	8.5
99.08083	25.5
101.15198	4.0
105.03371	6.6
105.07038	37.2
107.04946	16.3
107.08586	53.1
109.06523	9.4
109.10162	45.3
111.08049	6.8
115.44335	4.2
117.06978	8.7
119.08616	24.7
119.92284	4.1
121.10143	31.5
123.08143	5.8
123.11672	5.9
124.19221	4.8
125.09626	15.5
125.10453	4.1
129.07005	4.8
131.08528	8.1
133.10123	19.9
135.11697	33.6
143.08490	8.2
145.10132	9.9
147.04382	6.3
147.11746	12.0
149.02254	5.4
149.13257	11.9
151.11185	17.2
157.10104	6.3
159.11671	10.9
161.13245	15.6
163.11200	5.4
163.14799	5.7
173.11781	9.6
173.13176	5.3
175.03922	14.1
177.01833	5.6
179.14311	70.7
189.11223	15.6
190.21210	4.1
192.58771	4.1
195.02959	5.5
207.06564	15.9
207.13869	6.6
219.06567	23.6
221.31671	3.9
227.12691	10.9
231.21107	4.8
241.19551	7.1
245.13887	7.5
246.66898	8.7
259.20624	14.7
277.21628	82.1
341.32562	4.1
351.25296	39.6
354.10056	4.6
369.12524	38.5
369.27167	6.3
370.12927	8.3
388.58627	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.5
55.01867	13.2
55.05510	53.7
56.96550	6.8
57.03437	20.6
57.07074	16.0
57.40705	3.0
59.04984	6.2
65.03934	10.5
67.05505	100.0
69.03440	6.5
69.07073	30.5
69.29413	19.1
69.29844	14.2
70.06602	4.8
71.05001	11.7
71.08627	34.8
71.93411	3.8
76.99730	6.8
79.05490	53.7
81.03412	18.1
81.07056	75.2
83.04984	20.6
83.08625	27.2
85.02924	6.8
85.06548	16.8
91.05473	63.6
93.07046	68.9
95.04958	22.8
95.08608	45.7
97.06532	15.5
97.10160	18.2
99.08085	26.0
101.16464	3.2
103.05463	4.1
105.02850	5.5
105.06384	5.3
105.07030	38.2
107.04942	4.6
107.08596	52.6
109.06498	8.4
109.10169	28.0
111.08069	5.4
112.86586	3.3
117.07040	13.6
119.04948	10.4
119.08600	24.0
121.06557	4.8
121.10155	23.2
123.08138	4.3
123.11735	9.1
125.09629	13.5
129.07005	7.4
131.04927	10.7
131.08592	10.7
133.06470	4.8
133.10147	25.0
135.08054	6.3
135.11713	19.7
137.09633	8.8
143.08566	5.1
145.10147	13.7
146.14320	3.3
147.04396	17.7
147.11688	16.1
149.13228	19.3
151.11159	48.6
157.10059	3.4
159.04439	10.0
159.11725	11.3
161.13306	18.2
163.03885	5.3
163.11214	11.5
163.14742	3.9
165.12772	7.5
168.57056	4.1
169.10124	3.6
171.11652	7.5
173.11734	9.7
173.13234	7.1
175.03905	79.7
175.14874	6.9
176.04301	8.6
177.05429	6.0
177.12753	8.2
179.14349	15.7
187.03914	20.5
189.05495	8.5
189.11250	19.8
189.12711	4.3
195.13708	6.7
201.05563	4.1
203.03357	5.1
203.07040	5.8
207.06538	19.1
221.15370	4.9
226.06215	5.0
227.12843	15.4
229.08592	25.5
231.10011	9.1
233.44739	4.2
241.08598	14.6
241.19559	7.8
243.10207	6.7
244.06044	15.9
245.13828	10.1
247.09660	34.1
253.18042	12.6
259.09625	8.0
259.20517	12.8
269.17493	19.7
272.05582	9.1
274.07098	10.4
277.21619	69.4
279.06091	9.0
295.22632	10.6
297.03754	4.6
299.05426	24.3
308.59906	4.9
313.14246	4.7
315.04807	4.5
321.06882	4.6
350.62933	7.1
351.12137	12.1
351.25330	31.4
359.63425	14.4
368.64011	7.2
369.09094	6.3
369.13611	21.5
369.26196	12.1
369.64340	4.4
370.12921	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.6
55.01866	14.0
55.05272	2.9
55.05514	35.6
56.96537	2.1
57.03449	14.5
57.07061	6.6
59.04987	2.7
65.03927	5.8
67.05504	90.9
68.99777	2.7
69.03416	6.8
69.07072	26.7
69.34220	18.7
70.06577	2.2
71.04974	6.9
71.08624	19.2
72.08147	2.6
79.01851	8.8
79.05493	57.7
81.03415	13.0
81.07056	79.3
82.07369	2.2
83.04995	13.6
83.08626	20.1
85.02888	3.5
85.06526	9.5
91.05484	43.1
92.05784	2.2
93.06483	3.8
93.07041	54.4
94.07383	3.2
95.01338	4.2
95.04969	21.1
95.08607	39.9
96.23901	2.2
97.02875	4.4
97.06522	12.7
97.10174	13.7
99.08096	17.2
105.07030	32.2
107.04968	2.9
107.08595	45.0
109.06510	9.5
109.10154	43.0
111.04410	2.3
111.08065	7.3
113.09605	2.6
115.05424	2.4
117.07016	12.1
119.04990	12.6
119.08585	20.3
121.02879	17.1
121.06467	2.7
121.10137	23.8
123.08035	3.8
123.11695	8.7
125.02299	2.5
125.09633	13.7
129.07019	3.3
131.08571	12.5
133.06503	2.3
133.10129	22.4
135.08047	3.1
135.11719	22.3
137.05956	9.6
137.09627	4.3
142.07690	2.8
143.08485	4.9
145.02785	2.9
145.10080	9.9
147.04449	10.2
147.11703	15.0
149.09602	2.3
149.13263	18.6
151.11200	25.8
155.08449	2.9
157.10158	5.2
159.04410	2.4
159.08049	2.7
159.11673	11.8
161.05994	3.0
161.09639	3.1
161.13249	12.6
163.03860	5.8
163.11168	7.9
163.14793	3.5
163.77013	2.1
165.12756	5.4
169.10118	2.7
171.11681	6.7
173.05971	2.6
173.11775	10.0
173.13112	4.0
175.03929	35.5
175.11189	5.9
175.14784	4.8
176.04231	2.5
177.05531	2.7
177.12747	5.3
179.14268	6.9
181.01305	2.3
181.12355	2.6
183.02864	4.0
185.13286	5.2
187.03912	9.7
189.11275	12.5
189.12703	3.2
193.01341	14.6
195.11833	2.6
195.13762	7.7
199.14769	2.6
203.10759	2.4
207.06480	18.0
211.02303	3.2
213.05440	7.1
216.14644	2.3
221.15369	3.7
223.11215	2.8
227.12766	7.5
229.08585	6.0
229.14291	3.9
231.05243	5.8
231.21161	2.6
241.08710	2.8
241.19444	4.8
244.06049	48.0
245.13826	4.0
247.09541	10.0
259.04825	2.4
259.09430	2.8
259.20590	14.8
269.17529	24.6
272.05530	29.0
273.06281	8.0
274.07074	29.9
277.21606	58.1
283.05957	18.4
284.06253	4.5
299.05408	15.8
311.01877	5.1
311.05499	100.0
312.05765	8.0
315.04956	5.0
351.25385	27.8
369.09518	38.1
369.20087	3.0
369.26965	11.5
370.12979	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
53.03931	2.9
55.01881	3.6
55.05511	5.9
57.03418	1.9
61.02913	0.8
65.03928	1.2
67.05505	9.0
69.03429	11.3
69.07071	8.3
70.06577	2.3
70.40732	2.3
71.04973	2.6
72.08164	0.7
73.02914	0.8
77.03918	1.5
79.05073	0.8
79.05495	12.1
81.03419	13.0
81.07058	10.6
82.23267	0.6
83.04976	5.5
83.08589	1.6
84.08126	1.1
85.02903	5.9
85.06530	2.9
86.09698	1.1
87.00826	2.4
89.03911	1.0
91.05482	37.5
92.05806	1.1
93.07040	10.8
95.04967	3.6
95.08607	6.4
97.02882	2.8
97.06535	4.2
98.21400	0.8
99.04455	2.1
99.08102	3.1
103.05447	1.1
105.03397	8.9
105.07036	8.8
107.04953	3.4
107.08585	6.4
109.02224	0.7
109.02857	3.8
109.06511	1.2
109.10138	3.2
111.04435	1.2
111.08071	1.7
115.03889	0.9
115.05428	0.9
116.07073	0.8
117.06993	4.6
119.04939	37.0
119.08592	6.4
120.05253	0.8
121.02869	4.4
121.06499	1.3
121.10123	8.7
123.04451	0.7
123.08051	2.1
125.09628	1.7
127.03925	3.4
129.03343	0.7
129.06987	1.9
131.08562	7.7
132.02087	1.9
133.06496	1.3
133.10149	5.1
134.06027	0.8
135.04428	1.0
135.08072	3.3
135.11717	8.8
136.05171	1.0
137.09549	1.6
139.07585	0.7
141.06982	0.9
143.08554	1.5
145.02916	0.8
145.06477	0.9
145.10112	5.9
147.04410	32.7
147.08032	1.2
147.11684	3.2
148.04707	1.0
149.02278	0.9
149.05908	0.9
149.09618	4.1
149.13228	0.7
151.11227	1.4
155.08540	1.0
157.03990	3.3
157.10115	1.2
159.08037	1.3
159.11693	1.9
160.01569	0.7
161.09593	2.0
161.13243	1.2
162.03116	0.7
162.05402	0.7
162.09132	2.8
163.04108	0.6
163.11197	3.3
164.04643	0.9
165.09117	1.4
167.10658	1.7
171.08066	0.8
173.09637	1.9
173.13203	1.7
175.03903	54.2
175.11185	1.1
176.04251	1.6
177.09142	1.4
178.08647	1.3
179.07034	3.4
181.12279	1.2
185.09657	1.6
187.11217	0.8
189.09084	1.3
191.10663	1.8
192.04164	1.8
201.09123	1.4
201.16377	5.4
207.06531	100.0
208.06912	4.3
211.14738	1.4
213.09119	4.4
219.17421	2.3
225.07434	1.5
227.10713	1.5
229.12173	1.1
229.15866	2.0
237.12709	0.9
237.18520	6.5
247.13216	0.8
247.16930	2.6
255.13831	9.6
256.14230	2.0
265.17929	1.2
273.14722	0.9
283.19022	1.5
297.14899	1.0
315.15900	12.9
316.16434	1.9
333.16989	0.8
351.10782	13.0
351.14603	0.9
351.18127	1.9
352.11060	1.2
369.11816	3.0
369.19092	2.9
369.23679	0.8
370.21393	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	369.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75795	0.7
55.01865	0.9
55.05501	1.1
60.08149	0.8
67.05497	2.1
69.07060	1.7
69.61362	0.8
78.33047	0.7
79.05489	1.4
80.15890	0.8
81.07044	4.1
91.05474	2.4
93.07030	2.2
95.08591	2.1
98.20783	1.3
105.07035	1.7
107.03867	0.7
109.10148	1.6
119.08550	0.8
121.06505	1.2
131.31569	0.8
134.03621	1.2
135.11705	0.9
145.10152	1.0
147.04390	2.3
154.75824	0.8
161.13338	0.8
162.03082	3.6
163.03922	1.5
173.02266	0.8
177.05394	1.0
187.03925	1.1
190.02582	2.6
193.04953	6.1
207.06509	2.5
218.02106	62.0
218.59317	0.8
219.02448	1.4
220.42075	0.8
224.68359	0.8
227.07021	1.6
233.04439	100.0
234.04726	3.5
253.05038	0.8
296.14191	2.4
319.13205	1.5
337.14389	1.3
348.40140	0.8
350.48645	0.8
351.15897	2.1
368.42444	1.7
369.16724	2.1
369.42630	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	369.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62948	0.3
55.01886	0.4
55.05515	0.5
56.17390	0.3
67.05492	1.0
69.03400	0.5
69.07047	0.7
70.68047	0.3
71.53091	0.4
78.04691	0.3
79.05482	0.8
81.07064	2.0
81.07452	0.3
84.08182	0.3
86.06798	0.3
91.05483	1.6
93.07023	2.0
95.04963	0.4
95.08601	2.1
105.07012	2.0
107.08609	1.6
109.10148	1.5
117.07017	0.4
119.04919	0.8
119.08590	2.0
121.10147	1.5
123.11720	0.7
123.97022	0.3
131.08553	0.6
133.10103	1.2
134.03647	2.2
135.08009	0.5
135.11676	1.0
143.08528	0.9
145.10109	1.3
147.04398	1.4
147.11646	1.3
149.09584	0.3
149.13269	0.4
157.10120	0.7
159.11699	1.2
161.09581	0.4
161.13287	0.6
162.03123	4.4
163.03868	0.6
163.11191	0.4
171.11595	0.6
173.02322	1.2
173.13202	0.5
175.03873	0.9
175.14790	0.4
177.05473	1.3
183.11588	0.5
185.13289	0.4
187.03918	0.3
187.14827	0.5
189.16389	0.8
190.02570	2.3
193.04904	0.6
201.16345	1.1
206.18594	0.3
207.06543	1.7
213.16293	0.5
218.02101	56.3
219.02422	2.0
233.04440	100.0
234.04750	2.9
245.04572	0.4
249.16020	0.4
293.04379	0.4
351.26633	1.6
368.42560	0.8
369.16684	2.0
369.23883	0.7
369.27859	1.0
369.42859	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1332
Annotation	curcumin
Peak:m/z	Relative Intensity
50.41805	0.7
53.03940	4.6
67.05496	1.1
77.03913	1.1
80.21442	0.7
83.89179	0.8
91.05480	1.8
95.04951	7.2
97.74571	0.7
98.21529	1.8
105.03391	100.0
105.04528	2.5
106.03725	1.6
115.05488	0.7
119.04953	1.8
119.97850	0.7
147.04419	2.8
152.78125	0.7
159.04416	4.1
170.89207	0.8
173.05992	1.8
175.03897	18.7
175.05301	1.1
182.75252	0.7
187.03891	6.3
187.07561	1.1
189.05475	1.5
198.86256	0.7
201.05461	2.7
229.08595	26.7
229.29955	0.9
230.09038	1.1
247.09378	0.8
265.03125	0.8
265.49255	0.8
286.60724	0.8
351.12094	1.2
354.09930	0.8
369.12506	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	369.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.5
53.03950	1.8
53.46598	0.4
55.01865	1.1
55.05506	1.8
56.05033	0.9
57.03439	1.8
58.57461	0.5
60.04514	0.8
61.02922	0.8
62.90598	0.4
65.03947	1.6
67.05501	2.7
68.99777	0.5
69.03428	8.1
69.07075	0.9
70.06594	31.1
70.94992	0.4
71.04984	1.1
71.06309	0.8
71.06921	4.7
71.52235	0.6
72.08156	2.8
73.02918	0.9
74.06066	0.6
77.03889	0.6
79.05494	2.0
81.02986	0.8
81.03418	8.5
81.07072	2.2
82.06581	3.4
83.04980	1.6
84.04505	1.6
84.08144	4.8
85.02900	7.6
85.06551	0.6
86.09716	5.6
87.00831	1.2
88.03979	0.9
89.03934	0.8
91.05480	15.6
92.05805	0.6
93.07037	2.0
95.04967	2.5
95.08604	1.4
96.05354	0.7
97.02906	3.5
97.06530	0.8
98.06054	1.4
99.04454	1.5
103.03951	0.9
103.05473	0.8
105.01865	1.3
105.03397	6.3
105.07019	3.2
106.02993	0.5
107.04968	1.1
107.08578	2.5
108.08118	0.7
109.02872	3.6
109.06522	1.0
109.10112	0.5
110.06047	7.4
110.07177	2.6
111.08072	0.6
112.08727	1.5
115.05453	0.6
116.07068	0.5
117.03403	0.9
117.06992	2.5
119.04945	17.1
119.08565	1.9
120.08096	1.6
121.02847	1.2
121.06512	2.0
121.10158	0.8
122.06027	0.5
123.04439	0.6
123.11752	0.5
124.03977	0.7
124.07614	0.7
125.52634	0.4
126.05511	5.0
127.03910	3.7
128.07091	0.9
129.10234	1.9
130.04997	0.9
130.08640	18.3
130.09625	0.9
131.09010	7.8
132.95779	0.7
133.06497	1.9
133.07661	0.4
133.10130	0.7
135.04401	0.9
135.08089	2.3
136.07576	59.6
136.48610	0.5
137.05960	1.3
137.07942	0.8
138.05513	0.9
140.07056	1.6
143.08575	0.6
145.02850	2.8
145.04996	0.7
145.06480	3.2
145.10078	0.5
147.04405	16.0
147.11690	5.1
148.04846	0.6
148.06064	0.9
149.02341	0.9
149.05922	1.1
151.07578	1.1
152.07065	1.6
155.01129	0.5
157.03983	1.0
157.06523	0.7
159.08005	0.8
159.09181	0.8
161.06035	0.6
161.09604	0.9
162.05444	0.6
163.03954	0.9
163.07533	6.7
164.07066	100.0
165.05481	0.6
165.07486	2.8
165.08701	0.5
175.03908	24.2
175.07434	1.1
176.04297	1.1
177.05450	4.1
179.06995	1.4
182.08128	95.3
183.08386	2.1
187.07582	0.8
189.12703	1.6
192.04242	1.0
198.09084	1.5
198.98016	0.5
207.06519	50.9
207.13789	4.2
207.15701	1.2
208.06949	2.7
208.09735	0.9
213.12376	0.7
225.07413	0.9
229.08676	0.8
234.98994	0.7
242.20056	0.7
259.10742	1.4
268.08258	0.8
270.18997	0.6
283.11203	0.7
301.11868	0.7
307.12891	1.0
325.14059	0.6
333.14444	5.0
337.10242	1.2
341.26495	1.7
351.10812	6.7
351.15219	1.0
351.19321	0.6
369.11685	3.3
369.21069	9.6
369.25964	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03951	2.4
55.01873	0.9
57.03424	1.4
65.03928	1.2
69.03428	6.6
70.06611	0.6
70.35935	0.4
70.81593	0.5
70.81906	0.9
71.04995	0.9
72.08169	0.6
73.02931	0.6
77.03925	0.7
81.03418	15.1
85.02904	4.8
89.03931	0.6
91.05482	23.8
91.71213	0.4
95.04934	0.8
97.02884	2.4
99.04449	2.1
103.05451	1.1
105.03390	4.2
109.02879	5.0
118.04147	0.5
119.04943	35.7
121.02834	0.6
127.03919	3.4
131.16263	0.4
132.02078	1.5
135.04454	0.7
145.02818	1.2
146.03600	0.8
147.04408	31.5
148.04765	0.8
149.02350	1.3
157.03976	3.1
164.04686	0.8
167.07059	0.5
175.03906	58.0
176.04289	1.5
179.07062	2.5
192.04170	1.6
204.24164	0.5
207.06525	100.0
208.06917	2.7
210.14230	0.4
225.07565	1.8
309.09488	0.7
351.10770	14.7
352.10928	0.7
369.11713	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1334
Annotation	Buceracidin A
Peak:m/z	Relative Intensity
53.03936	1.3
55.01873	0.7
55.05500	2.3
57.03423	2.0
57.07075	1.2
65.03916	0.6
67.05508	5.3
68.99790	2.3
69.07067	3.0
71.04967	0.8
71.52612	0.6
79.05068	0.5
79.05499	5.8
81.03430	1.0
81.06596	0.6
81.07063	12.1
83.04967	1.4
83.08628	1.1
85.06494	0.8
91.05487	4.2
93.07046	5.3
95.01346	2.5
95.04961	2.8
95.08622	5.1
97.06499	1.5
97.10147	1.5
99.08076	0.8
103.05458	0.8
105.03395	3.9
105.04497	0.6
105.07034	4.1
107.04953	1.3
107.08598	4.3
109.05805	0.8
109.06520	11.0
109.10204	2.3
117.03384	0.6
117.07010	2.0
119.04925	0.7
119.08615	2.6
121.02835	1.3
121.06488	1.4
121.10157	3.1
123.08080	2.4
128.06183	0.7
129.07033	1.0
131.07030	0.5
131.08559	2.2
133.06479	1.2
133.10130	2.0
135.04396	1.4
135.11676	2.6
137.05988	1.0
139.00262	1.1
143.08589	1.2
145.02831	1.7
145.06525	2.5
145.10124	1.9
145.79230	0.5
147.04367	1.1
147.11673	1.5
149.02335	2.9
149.05980	1.6
149.13289	1.1
151.07553	1.1
151.11235	0.9
151.97130	0.5
153.05412	1.1
155.08458	0.6
157.10144	1.3
159.04430	1.3
159.11659	1.0
161.05995	1.0
161.13301	1.0
163.07559	1.1
165.01837	1.8
167.03416	2.0
171.11694	0.8
173.05966	1.5
173.13255	0.8
175.03851	1.7
175.14845	0.6
176.04691	0.9
177.01840	12.0
177.05467	9.4
179.03433	0.8
179.17850	0.5
181.10138	0.7
183.02946	0.9
187.03967	0.5
187.14839	1.2
191.03383	1.4
191.07076	2.9
195.02855	0.5
195.06641	2.7
195.11636	0.6
201.05489	3.3
203.03333	0.5
204.04155	1.8
205.15849	0.8
207.06552	1.1
219.06534	100.0
220.06929	2.7
221.18860	0.9
229.08611	0.8
237.07584	4.2
241.19743	0.6
246.67026	0.7
259.20627	2.4
277.21646	4.3
277.24646	1.0
327.12448	1.0
351.15942	0.8
351.25311	1.8
369.13321	39.2
369.16943	1.8
369.28116	0.8
370.13797	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21293	0.4
53.03944	2.0
55.01877	0.6
55.05508	0.4
57.03439	1.4
61.02914	0.8
65.03942	1.0
67.05492	0.6
69.03429	9.1
69.74685	2.5
70.06586	0.9
71.04987	1.0
71.26743	0.4
72.08167	0.5
73.02905	0.7
77.03936	1.0
79.05472	0.4
80.06247	0.4
81.03419	15.5
81.07037	0.6
83.04979	0.5
84.04501	2.1
84.08125	0.8
85.02910	5.6
86.09712	0.5
89.03930	1.1
91.05479	24.7
92.26451	0.4
93.07043	0.8
95.04967	1.0
95.08606	0.8
97.02898	2.5
99.04450	2.2
103.05438	0.8
105.03386	2.3
105.07028	0.7
107.04931	0.7
109.02870	6.1
109.06552	0.7
110.07145	0.5
119.04939	36.0
120.05271	0.8
120.08087	0.6
121.02868	1.7
121.06533	0.4
127.03909	2.7
129.03419	0.5
132.02054	1.7
132.30333	0.4
133.02849	0.6
133.06516	0.4
135.04404	0.4
136.05226	0.7
137.05954	0.5
145.02821	1.0
147.04404	33.7
148.04749	0.9
149.02347	1.5
149.09537	0.4
155.83713	0.4
157.03934	3.4
164.04672	1.3
167.07042	0.9
175.03905	56.8
176.04272	1.5
176.98875	0.4
177.05504	0.4
177.69612	0.4
179.06990	3.0
192.04210	2.1
194.65170	0.4
207.06525	100.0
208.06834	2.5
225.07561	1.2
309.09824	0.5
337.53824	0.4
351.10724	16.0
352.11020	0.8
369.11731	4.3
369.14972	0.4
369.19098	0.9
391.55588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1177
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03933	1.9
53.56729	0.5
55.01876	0.7
57.03434	1.2
65.03934	0.7
69.03432	7.5
71.05002	1.3
73.02882	0.7
81.03419	22.5
82.03778	0.5
82.25745	0.5
82.73340	0.5
85.02911	7.1
89.03903	0.7
89.40844	0.6
91.05480	20.5
95.04961	0.5
97.02880	1.6
99.04440	2.8
99.45546	0.6
103.05402	0.5
103.68680	0.6
105.03426	1.3
106.07909	0.6
107.05007	0.6
109.02885	7.9
117.03361	0.7
118.04192	0.7
119.04945	34.5
120.05274	0.7
127.03917	3.0
132.02118	1.3
136.05219	1.4
147.04411	29.3
149.02386	1.5
157.03979	2.5
164.04688	1.2
175.03912	51.0
176.04414	1.1
179.07019	2.5
184.97676	0.7
192.04181	2.7
207.06531	100.0
208.06837	1.8
225.07574	2.3
313.73578	0.6
351.10742	28.6
352.10919	0.6
369.11667	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	369.097
Annotation	PD116740
Peak:m/z	Relative Intensity
53.03943	0.7
55.01852	0.5
63.87201	0.3
64.11287	0.3
65.03920	0.9
66.91499	0.3
67.05486	1.1
69.03432	3.1
69.07066	0.8
69.55136	2.4
79.05497	1.0
81.03410	3.6
81.07049	1.9
83.04989	0.5
83.08555	0.5
85.02886	1.6
91.05485	11.0
93.07032	1.1
95.04967	0.7
95.08605	1.5
97.02877	0.5
99.04457	0.7
103.05450	0.5
105.03402	0.4
105.07011	1.4
107.04981	0.7
107.08585	1.1
109.02892	2.5
109.06511	1.5
109.10150	1.0
117.03333	0.4
119.04945	14.5
119.08586	1.4
121.02876	4.8
121.06499	0.7
127.03902	1.1
131.04893	1.2
131.08536	0.5
132.02057	0.7
133.10097	0.4
135.04407	1.0
137.05972	5.8
145.02850	1.4
145.06419	0.5
145.10118	0.5
147.04410	11.5
147.11722	0.6
149.02321	1.3
149.05954	0.7
157.03993	1.0
159.04404	0.8
161.13226	0.7
162.03120	0.7
163.03879	1.0
165.05415	0.7
165.12735	0.4
167.03371	0.7
167.07004	0.8
175.03908	18.3
176.04045	0.4
177.01839	2.6
177.05463	1.8
179.07031	0.8
187.03889	1.8
187.07610	0.4
189.01740	0.5
190.02631	0.7
191.03374	1.4
192.04204	0.6
195.02928	2.7
205.04945	5.7
207.06531	34.7
208.03696	1.9
208.06877	0.7
209.04404	1.0
215.03439	3.6
219.06444	2.3
221.04393	0.5
223.06049	0.6
231.02875	1.1
233.04453	13.4
234.06752	0.6
249.03932	1.6
251.05547	1.1
253.08612	0.7
255.06416	0.8
263.06921	0.4
267.06522	3.1
267.08966	0.4
267.09952	0.3
268.37192	0.4
276.07697	0.4
277.08600	1.2
279.06500	1.5
280.07275	0.6
281.07990	1.4
283.05994	0.7
288.07584	0.4
293.08005	0.8
295.05997	6.0
295.09607	4.8
296.06384	0.4
305.08157	2.2
307.05951	1.5
307.09137	0.4
308.06805	3.5
309.07532	5.2
309.11020	0.7
311.05341	0.8
315.08951	0.4
321.07785	0.5
322.08173	2.1
323.09149	26.9
324.09470	1.2
333.07596	3.4
335.05597	1.3
336.06320	3.4
337.10681	0.8
349.07114	0.6
351.08594	100.0
352.08862	4.7
369.13269	2.7
370.13300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0968
Annotation	Artoindonesianin P
Peak:m/z	Relative Intensity
55.01866	0.6
55.05502	1.0
57.03437	0.6
65.03931	0.6
67.05215	0.4
67.05505	4.2
68.99793	3.7
69.03413	0.7
69.07061	0.8
71.08613	0.5
71.53253	0.5
73.57853	0.4
79.05474	2.5
81.03407	1.9
81.07048	1.7
85.02893	0.5
88.81544	0.4
91.05489	5.1
92.99757	3.2
93.07034	1.2
95.01333	4.4
95.04971	7.9
95.08596	1.2
97.06515	0.6
100.63056	0.4
103.05482	0.8
105.07042	2.9
107.01298	1.1
107.08596	0.9
109.06514	1.0
109.10177	0.7
112.63184	0.5
115.05499	0.4
119.04944	6.0
119.08575	2.0
121.02866	8.2
121.06478	0.7
123.04465	0.5
125.20947	0.4
128.06216	0.8
129.07002	1.4
131.04924	2.3
131.08557	1.8
131.63358	0.4
132.02151	0.4
133.06491	1.3
133.10161	1.0
135.08182	0.4
137.06003	0.5
141.06981	0.7
143.08577	2.7
145.02834	4.3
145.06502	1.0
145.10106	0.8
147.04404	1.7
147.08029	0.6
155.08540	1.0
157.06528	0.6
157.10115	1.4
159.04381	0.8
159.08015	0.9
161.05983	4.1
163.03903	16.7
163.11182	0.8
165.01808	2.2
167.08566	1.0
169.10156	1.0
171.07983	0.6
171.11674	0.8
173.09698	0.7
173.13290	0.7
175.03925	4.7
175.07535	0.7
177.01935	0.5
177.05449	0.8
181.01309	1.3
181.10120	1.1
183.11705	1.1
185.06058	0.7
185.09682	0.6
187.03871	5.7
187.07550	1.3
187.11298	0.8
189.05467	0.8
193.01326	4.8
193.10072	0.7
195.11639	0.7
197.05980	0.5
199.11153	0.6
203.03415	0.8
207.06506	4.8
209.09613	0.5
211.11189	0.6
223.11220	0.8
227.10640	0.8
229.08658	0.7
231.02931	1.3
237.12787	0.6
241.08583	0.6
243.10365	0.6
244.06018	1.8
245.04521	3.6
247.09557	0.5
253.04984	4.9
255.03064	0.9
268.73090	0.4
269.04416	1.4
271.06024	9.0
272.05756	1.2
273.03922	10.0
274.07034	0.6
277.21567	1.0
279.06357	0.7
283.05951	1.5
286.06793	0.8
297.03931	20.6
298.04218	0.7
299.05426	4.9
301.08948	0.6
305.15225	0.5
307.05862	0.8
308.06674	0.9
309.14893	0.9
311.05487	95.4
312.05801	4.6
313.03452	0.6
315.04977	48.0
316.05325	2.7
323.09125	8.3
323.16202	1.0
331.04501	1.0
333.14835	1.0
341.09949	0.7
351.08493	5.4
351.15881	1.2
369.09677	100.0
369.17108	4.1
370.09271	4.9
370.13687	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85398	1.8
53.03934	3.1
53.16626	1.7
55.01864	10.8
55.05510	4.5
56.13420	1.7
65.03959	2.2
67.05508	11.7
67.77817	1.7
69.03425	11.2
69.07078	5.3
70.06583	2.6
71.05009	3.5
71.52142	1.6
71.52536	2.3
74.95477	1.6
79.05486	3.1
81.03420	12.2
81.07056	7.5
85.02896	5.7
85.06538	8.8
91.05472	31.5
93.07069	4.5
95.04951	4.1
95.08594	4.1
97.02888	2.5
97.06518	2.2
105.03375	3.2
105.07018	3.4
106.07375	2.3
107.04978	2.4
107.08618	2.6
109.02894	6.4
109.10176	2.9
119.04939	36.0
119.08586	3.9
121.10114	2.8
127.03934	4.9
128.84441	2.0
133.10107	2.8
135.04420	20.9
143.08603	2.1
147.04417	35.0
149.05978	4.2
151.73691	1.7
155.08636	2.0
157.03979	2.6
159.04404	2.0
161.09697	2.6
163.07562	2.9
164.04692	2.9
165.05536	2.0
175.03906	53.4
177.05473	24.0
177.08939	1.7
179.07059	4.5
183.08246	2.3
187.07472	3.7
189.05493	7.7
189.09093	10.0
191.10661	1.9
201.09157	11.5
205.04951	3.4
206.04524	1.8
207.06529	100.0
207.09932	15.2
219.06432	2.1
219.10168	2.5
231.10216	9.0
233.11823	2.6
243.10208	15.9
249.11253	15.1
261.11285	3.5
270.07553	3.3
273.14792	20.3
277.08545	2.3
291.15686	2.5
297.14813	1.9
299.05536	6.1
310.07813	2.2
315.16031	11.0
323.09332	2.2
336.09564	2.0
350.10266	9.5
351.10846	12.4
368.11945	23.1
368.18411	4.0
369.12741	5.6
386.18933	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	368.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
53.04516	1.0
54.45262	1.0
55.01861	4.1
55.05511	20.3
56.05035	1.4
57.03423	2.9
58.06605	6.1
59.04981	1.0
60.04525	19.6
65.03917	1.0
67.05502	15.9
69.03429	11.9
69.07065	14.4
69.96327	4.1
70.06590	5.8
71.04986	8.8
72.04524	2.2
72.08155	1.4
79.05495	19.8
80.04999	2.5
81.03420	6.5
81.07056	16.4
82.06561	1.3
83.04960	3.9
83.08625	10.8
84.08142	6.9
85.02901	2.4
85.06537	3.0
86.06036	1.1
86.09704	30.6
88.07607	3.4
91.05482	24.5
93.07040	17.2
94.06561	2.8
95.04980	7.1
95.08607	9.0
96.08115	3.2
97.02882	2.1
97.06550	2.2
97.09635	1.7
97.10168	17.5
100.07622	3.1
102.16266	1.2
105.03379	1.6
105.07027	8.1
106.06578	1.1
107.04938	4.2
107.08610	8.4
108.08151	1.5
108.08910	1.3
109.02848	1.6
109.06514	6.2
109.10166	4.1
110.06010	2.9
111.08070	1.4
112.07608	26.2
113.05956	1.9
114.09179	1.3
117.07008	4.1
119.04940	20.5
119.08607	5.9
120.08095	2.1
121.02839	3.3
121.06509	1.9
121.10133	9.4
122.09653	6.9
123.08046	4.4
124.07595	1.1
125.09634	11.6
127.03897	2.8
128.10715	31.9
129.06975	1.6
130.08627	3.8
131.08549	4.3
132.08067	1.9
133.10138	3.2
135.08052	4.7
135.11676	2.6
136.07594	1.2
136.11145	1.3
137.05969	1.5
137.09633	1.6
138.12756	3.9
143.08578	2.2
145.06480	1.6
145.10114	3.5
147.04413	16.2
147.08102	1.3
147.11650	1.9
149.09589	2.3
149.13272	1.6
151.03963	1.1
152.10690	1.0
154.08640	8.9
157.10118	1.8
159.11655	3.8
161.05956	1.1
161.09637	1.2
163.03835	1.2
169.10121	2.1
171.11684	1.3
172.09689	10.8
173.09540	1.0
175.03915	30.6
177.12750	2.8
179.07106	2.0
180.13831	17.6
187.11165	2.4
189.11205	10.2
195.13763	1.3
198.14984	1.6
203.10211	1.0
205.12274	1.1
207.06528	64.9
219.06439	8.9
220.16856	1.4
222.14780	1.2
223.13342	2.8
245.08112	1.4
263.19888	1.1
272.20023	1.3
273.18640	5.2
273.20908	1.0
275.60135	1.2
276.20508	1.2
277.71796	1.4
290.21188	9.2
291.19519	7.9
308.22177	14.3
315.15781	1.7
332.22174	1.9
350.23260	19.8
351.10858	2.6
352.68457	2.5
353.18555	3.4
356.63388	1.2
358.68372	7.0
359.18475	4.6
359.68393	1.9
367.69009	9.3
368.11731	3.3
368.19266	8.5
368.24249	100.0
368.69070	3.5
369.12631	4.1
369.24460	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	368.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70169	3.4
55.05515	4.9
59.89920	4.1
66.56860	3.3
67.05498	7.8
69.03426	7.2
69.07056	4.2
69.82459	3.4
70.06618	21.8
79.05510	4.8
81.03416	4.5
81.07059	5.9
82.07397	4.5
91.05486	16.3
95.08609	5.5
105.03430	4.5
105.07040	7.3
114.55272	4.4
119.04951	20.4
119.08602	6.1
121.02900	5.7
133.10138	4.4
137.05978	4.3
143.08496	4.7
147.04417	12.2
147.11667	4.3
157.81223	3.5
163.94736	4.7
175.03896	23.7
185.09616	8.9
189.09140	10.1
201.09193	18.4
207.06538	41.0
213.09177	23.1
219.10199	5.5
227.14319	7.1
237.12727	9.8
240.11462	5.4
255.13815	100.0
256.14163	4.7
267.46155	3.8
273.14890	14.7
279.12161	4.7
297.15054	11.1
300.02133	3.9
315.15909	71.2
333.16946	9.1
350.10977	8.6
351.10962	4.8
352.97403	5.3
367.99527	5.9
368.11560	12.5
368.15820	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	368.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66500	0.4
53.03940	0.5
61.02916	1.4
69.03445	2.0
70.90801	0.4
70.91121	0.8
81.03427	1.0
85.02917	6.6
91.03950	0.5
91.06406	0.4
97.02879	2.0
97.06168	0.4
99.04460	0.4
109.02866	0.6
110.09114	0.4
114.23206	0.4
127.03893	0.8
132.04456	8.5
145.04976	1.5
145.82016	0.5
160.03838	0.5
164.59979	0.4
178.04996	68.0
179.05307	0.9
206.04488	100.0
207.04813	1.3
254.44585	0.4
376.10123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01857	0.9
55.05503	0.9
56.05027	0.6
57.03425	0.6
61.02924	0.9
65.03931	0.5
67.05499	2.4
69.03424	5.0
69.07069	1.0
69.61366	2.2
70.06591	81.3
71.04987	0.8
71.06915	1.1
72.08159	2.4
73.02922	0.8
79.05491	0.9
79.05930	0.3
81.03425	3.2
81.07056	3.2
82.06608	0.5
83.04975	0.5
84.04501	0.6
84.08144	2.7
85.02903	5.9
86.09702	2.9
87.00830	1.2
87.04455	0.6
88.03995	0.8
91.05485	3.5
93.07041	1.3
94.06564	0.4
95.01302	0.9
95.04976	4.4
95.08614	0.7
97.02886	2.8
97.06525	0.6
99.04426	0.9
102.05587	0.4
105.01851	2.3
105.03370	2.5
105.07042	1.0
107.08588	0.8
108.04485	0.3
108.05611	0.5
109.02875	2.1
109.06516	3.6
110.06036	0.8
110.07155	2.8
111.04466	0.3
112.07595	1.0
112.08755	0.6
113.06046	0.4
115.03949	0.3
117.06981	0.5
119.04930	3.8
119.08567	0.8
120.05568	0.4
120.08164	1.5
121.02878	0.5
121.06535	0.7
126.05482	0.4
127.03924	3.7
129.10214	1.3
130.04970	1.2
130.08635	100.0
131.08957	1.3
133.06442	0.6
133.10097	0.9
135.08028	0.4
136.05048	0.7
136.07573	5.5
137.05974	3.3
137.09636	0.4
139.07545	1.6
143.11760	0.4
145.02815	0.5
145.04977	1.7
145.06445	0.6
147.04410	2.8
147.11665	1.3
148.06055	1.3
152.07057	0.4
156.07709	0.6
159.02895	0.9
160.07555	1.4
161.09668	0.6
161.13110	0.3
162.12767	0.5
163.03885	0.5
163.07536	1.0
164.07063	9.5
165.05479	3.8
175.03906	5.8
175.11215	0.6
177.05441	1.0
178.04936	0.7
182.08110	9.5
186.09143	0.9
188.06990	2.0
189.12677	0.5
191.13004	0.4
196.07365	0.3
203.10820	0.3
204.10205	0.7
205.10648	0.4
206.04434	1.0
206.08107	2.8
206.11041	0.6
206.15398	4.9
207.04578	0.6
207.06490	10.8
207.13885	0.5
209.14040	0.4
215.12454	0.3
224.06808	0.4
225.07634	0.3
231.04965	0.6
237.13264	0.4
240.24031	0.4
306.20596	0.8
309.19748	0.7
310.19873	0.3
333.14380	0.8
350.19113	2.4
351.10620	1.2
357.43869	0.3
368.20627	34.2
369.11285	0.5
369.20847	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07129	5.2
52.80150	6.0
53.03931	7.4
55.02897	5.9
55.05516	35.3
57.07063	31.2
67.05502	78.2
69.07065	52.2
70.34894	12.2
70.35249	16.6
71.08636	17.6
71.73957	6.0
79.05482	39.2
81.07049	100.0
83.04991	9.3
83.08624	22.4
85.06536	11.7
85.10224	5.8
89.00561	7.0
91.05491	49.0
93.07035	76.4
95.04984	16.7
95.08600	85.5
97.06525	9.2
97.10175	22.1
105.07030	48.3
107.04982	9.7
107.08583	54.4
109.06503	18.3
109.10153	45.1
111.08112	9.9
117.07027	29.0
119.08602	43.4
121.06541	8.0
121.10133	38.2
123.07991	8.8
123.11705	18.3
127.03909	20.1
129.07030	10.4
131.08583	91.4
133.10153	18.5
135.08063	8.3
135.11699	21.6
137.09560	9.5
137.13315	8.2
145.10110	68.5
147.11699	15.3
149.13281	11.2
151.07538	9.2
153.09087	7.1
155.07053	8.3
157.10074	7.6
159.11684	17.5
161.13252	8.5
163.11209	6.2
171.11656	10.4
173.13261	9.3
175.14819	7.5
177.09085	9.0
187.14790	12.4
191.10699	7.1
207.13631	6.2
229.19482	7.6
233.22615	21.7
234.79460	6.6
247.24245	12.6
261.22098	14.2
271.24228	95.9
275.23645	13.2
289.25153	29.4
299.23730	20.6
317.24701	56.6
331.26294	74.6
335.25818	27.2
349.27380	10.0
367.29703	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.4
55.01880	46.9
55.05519	35.2
57.03441	11.8
57.07059	7.9
59.12716	5.0
67.05179	8.1
67.05509	93.0
69.03419	9.3
69.07076	42.1
69.09882	5.2
71.05007	7.1
71.52860	6.3
79.05505	54.8
81.03425	15.4
81.07062	89.6
83.08612	17.2
85.06534	12.6
91.05479	60.1
93.07052	53.0
95.01323	8.8
95.04970	19.8
95.08625	51.5
97.06537	73.9
97.10166	11.5
99.08089	10.0
103.05439	6.3
105.07041	65.5
107.04968	26.4
107.08598	30.9
107.73247	6.0
109.06506	7.4
109.10161	43.1
111.08094	8.3
117.07020	9.7
119.08583	33.8
121.06487	9.7
121.10157	22.3
123.08047	12.5
123.11732	8.0
125.09643	8.1
131.08546	22.1
133.10152	35.7
135.08054	12.7
135.11720	10.8
137.09593	16.6
139.11130	8.0
143.08607	5.5
145.10138	22.3
147.11684	20.3
149.09618	21.7
149.13292	9.5
151.11215	13.2
157.10115	12.4
159.04332	5.1
159.11687	18.6
161.13298	10.3
163.11147	10.8
165.12741	6.2
173.13310	7.6
175.03908	34.0
175.05298	4.8
177.12851	6.0
179.14253	11.4
183.11612	7.2
187.11128	5.7
189.05493	7.4
229.08665	12.3
247.09656	10.5
247.20572	11.0
257.19070	11.2
275.20111	100.0
293.21216	19.9
297.14334	6.0
349.23865	36.2
367.11832	14.9
367.25317	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	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01876	4.9
55.05513	24.1
57.07069	12.1
65.03941	6.2
67.05507	48.8
69.03437	6.2
69.07067	33.7
70.12414	2.8
70.12753	11.8
71.04979	7.5
77.77390	2.8
79.05501	36.8
81.07059	53.4
83.04984	11.5
83.08632	10.6
85.06556	6.9
91.05483	52.9
92.76231	2.7
93.07047	78.0
93.40879	3.3
95.04969	41.8
95.08609	62.6
95.09175	2.2
97.06530	13.4
103.05452	4.7
105.07028	96.4
107.08598	77.9
109.06538	12.3
109.10167	42.7
111.08100	6.0
115.05466	7.5
117.07009	23.0
119.08581	100.0
120.22255	3.0
121.06468	16.3
121.10139	47.2
123.08062	9.5
123.11694	17.1
128.06247	12.4
129.06975	17.7
130.07787	6.2
131.08572	65.3
133.06584	3.4
133.10136	60.0
135.06013	3.2
135.08057	16.1
135.11667	23.5
137.09604	5.6
141.06985	7.7
142.07771	22.8
143.08560	48.1
144.09348	13.8
145.06419	3.1
145.10135	78.8
146.07227	7.4
147.08051	10.4
147.11700	25.2
149.09631	16.8
149.13257	5.8
155.08551	12.4
156.09358	12.0
157.10133	58.4
158.10852	6.2
159.08046	5.9
159.11726	36.1
161.09619	43.9
161.13275	10.0
163.11183	4.5
163.14833	5.5
165.06998	4.9
167.08644	4.8
168.09357	6.1
169.10117	19.8
170.10907	7.8
171.11665	28.1
172.08865	3.1
172.12427	4.0
173.09616	7.0
173.13246	29.3
175.03964	5.1
175.11177	8.3
175.14859	18.0
179.08582	9.9
181.10081	15.5
182.10809	5.2
183.11699	23.8
184.12523	5.5
185.09602	4.1
185.13268	16.6
187.11255	4.6
187.14857	13.8
189.12672	4.5
193.10191	4.7
194.10901	8.2
195.11719	11.6
197.13246	16.8
199.11125	4.3
199.14832	12.4
201.12772	5.4
201.16492	8.9
207.11760	5.3
209.13223	20.2
211.11121	3.5
211.14835	12.0
212.12009	3.5
213.12794	4.7
213.16441	5.3
215.14375	3.8
217.04762	3.5
221.13293	4.6
223.14859	7.5
225.16406	5.9
227.14377	19.5
235.14847	4.5
237.16507	4.2
239.17969	9.4
253.19545	3.2
255.17419	5.5
257.19022	4.8
261.16394	3.6
265.19611	6.9
267.17307	4.5
269.18823	5.3
283.20630	3.7
331.24295	3.6
349.25208	8.5
367.11575	8.6
367.26123	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02235	1.4
53.03942	2.9
55.01870	6.1
55.05511	26.6
57.03434	10.4
57.07062	1.7
59.04992	2.1
61.02924	2.7
64.59223	1.5
67.05506	23.5
69.03425	3.7
69.07066	25.0
69.68914	1.3
69.77966	8.9
71.08632	31.7
79.05489	18.2
81.03399	5.8
81.07059	19.9
83.04977	4.6
83.08619	7.1
85.02914	4.3
91.05476	10.0
93.07036	14.9
95.04969	6.5
95.08601	9.9
97.06535	2.5
97.10169	9.8
99.08098	26.2
105.07026	5.9
107.04966	3.5
107.08596	9.4
109.06505	2.2
109.10162	6.9
111.08075	1.8
111.11708	1.6
117.07023	2.9
119.08566	3.7
121.06519	3.9
121.10125	6.9
123.11675	3.4
125.09609	10.0
131.08566	3.6
133.10139	4.5
135.08063	1.7
135.11694	4.5
139.11194	1.8
145.10139	2.7
147.11777	1.8
149.09601	1.5
149.13219	2.8
151.11151	2.2
159.11674	2.3
163.11275	1.8
165.12787	1.7
167.10640	3.3
171.10254	1.5
175.03932	4.0
177.12796	4.0
187.03922	1.7
189.11195	4.9
192.28242	1.5
247.20436	2.0
275.20074	9.5
293.21112	100.0
294.21405	6.0
367.24802	30.9
368.25089	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.01672	0.8
55.01877	8.3
55.05513	25.9
57.03440	9.1
57.07067	2.7
59.04980	2.0
60.15479	0.7
61.02929	5.1
62.13105	0.8
65.03941	1.9
67.05505	33.2
68.99790	0.9
69.03423	3.7
69.07069	26.0
71.04993	2.4
71.08239	1.3
71.08633	23.3
71.51694	1.5
71.52063	1.1
73.02900	2.3
79.05071	1.6
79.05496	23.1
81.03410	3.0
81.06591	1.7
81.07056	29.9
83.04990	6.7
83.08620	7.0
85.02907	5.8
85.06523	3.2
91.03960	4.9
91.05482	16.8
92.08080	0.8
93.07039	18.1
95.04967	10.0
95.08607	15.7
97.02881	3.0
97.06527	3.6
97.10187	7.7
99.07504	1.2
99.08102	19.4
99.08714	0.7
105.03379	2.2
105.07033	14.8
107.04956	5.5
107.08589	12.5
109.06516	5.7
109.09454	1.5
109.10155	13.1
111.08097	1.9
116.27317	0.9
117.07039	3.3
119.08576	4.9
121.06504	5.0
121.10141	7.5
123.08056	2.6
123.11707	2.9
125.09622	5.5
128.06200	1.0
129.07008	3.2
131.08586	6.3
133.06427	1.5
133.10132	13.8
135.08051	3.5
135.11697	4.3
137.09607	2.9
139.11145	2.3
143.08554	2.5
145.06456	1.4
145.10152	5.0
147.04329	1.0
147.11681	3.1
149.09656	4.5
149.13242	2.8
151.11198	6.1
153.09142	1.0
153.12769	1.0
155.08565	2.3
157.10106	4.4
159.08034	1.3
159.11716	4.2
161.09598	1.5
161.13315	1.6
163.07655	0.9
163.11165	3.8
165.09207	1.0
165.12732	1.5
167.08575	1.4
167.10681	3.1
169.10184	2.1
171.08040	1.4
171.11665	1.6
173.11830	1.2
173.13260	4.1
175.02370	0.9
175.03952	3.4
177.12762	5.1
179.10649	1.1
185.13293	1.5
189.11189	2.8
189.12697	1.2
195.11725	1.5
195.13707	1.0
197.13292	1.9
199.14819	1.1
213.12569	1.3
215.14299	1.0
227.12711	0.9
229.19508	2.0
241.12311	1.5
245.08086	1.6
247.20576	3.6
265.21619	1.4
275.17282	1.5
275.20068	16.0
281.19064	1.7
283.10889	0.9
293.21109	100.0
294.21454	3.4
334.15363	2.0
349.21753	1.8
367.25220	38.0
368.25177	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	15-epi-Sibiricinone D
Peak:m/z	Relative Intensity
53.03940	6.3
55.01874	20.7
55.05516	38.8
57.03440	20.0
57.07061	4.2
59.04996	5.3
61.72887	3.2
61.86937	2.9
65.03953	3.7
65.75024	3.0
67.05511	73.6
69.03429	12.8
69.07071	34.7
70.06596	6.3
71.04994	9.4
71.08628	9.6
71.52560	3.4
79.05497	57.5
81.03426	11.4
81.07064	100.0
83.04984	15.9
83.08629	20.3
84.04501	2.9
84.08150	4.6
85.02907	5.3
85.06540	7.9
86.06769	2.5
86.09691	3.4
91.05483	55.1
93.07048	51.5
95.04980	20.7
95.08615	55.4
95.09184	4.8
97.02905	2.5
97.06535	27.1
97.10175	9.8
99.04462	3.5
99.08098	10.0
105.03458	3.3
105.07032	53.0
107.04970	22.0
107.08610	46.5
109.06523	12.2
109.10175	25.8
111.08081	9.1
117.07030	16.6
119.08586	41.9
121.02840	5.4
121.06522	6.6
121.10169	24.2
123.08076	10.6
123.11729	8.1
125.09629	12.8
127.11194	3.8
129.07027	9.8
131.08566	28.1
133.10158	33.1
135.08075	11.3
135.11737	18.4
137.05956	3.9
137.09618	7.4
141.09163	4.0
142.07811	4.0
143.08559	10.9
144.08089	5.3
145.06502	4.2
145.10103	22.2
147.04402	6.5
147.07997	4.5
147.11668	27.2
149.06006	3.3
149.09628	27.6
149.13278	8.4
151.11163	9.1
155.08592	4.5
157.10120	8.9
159.04419	4.2
159.11720	17.2
161.09682	6.4
161.13313	6.7
163.03943	2.9
163.11176	16.6
163.14818	3.7
165.09045	4.1
165.12749	6.6
167.10762	3.2
169.10260	6.0
171.10266	3.2
171.11748	7.7
173.09576	2.8
173.13199	12.8
175.03931	22.8
175.11108	4.4
175.14908	3.8
176.04192	3.6
177.05464	8.1
177.12801	7.9
181.10165	4.2
181.12163	2.6
183.11703	4.2
185.13359	3.2
187.03893	5.2
187.14883	5.0
189.11230	8.4
189.12804	3.6
191.14468	3.3
195.11758	3.8
197.13284	6.8
199.14859	3.9
203.03299	3.5
211.14755	2.8
213.16409	3.5
215.11641	3.7
221.08250	3.3
227.12796	4.5
229.19556	5.6
232.03336	5.5
239.17952	5.0
241.08492	5.0
247.05826	3.6
247.09624	7.7
247.20549	9.0
248.10066	4.7
251.20135	4.9
257.18988	8.5
264.07730	3.6
269.17596	4.0
275.20081	67.9
276.20419	6.5
278.39532	2.8
292.07324	3.8
293.21167	12.2
303.06451	3.3
314.14542	3.5
315.16028	4.0
335.08994	6.1
349.23804	22.8
350.23514	4.9
367.11877	15.1
367.18365	6.4
367.24792	28.7
368.24274	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01868	10.3
55.05512	28.2
57.03440	17.1
57.07065	2.5
59.04981	2.3
65.03934	2.1
67.05505	58.4
69.03426	5.1
69.07063	23.6
70.66456	4.9
71.04981	3.5
71.08631	2.8
79.05495	46.7
81.03410	3.6
81.07056	100.0
82.07365	1.8
83.04971	7.8
83.08624	13.1
85.06524	6.3
91.05478	40.0
93.07050	41.3
95.04955	12.1
95.08608	42.4
97.06522	12.8
97.10197	5.1
99.08080	5.6
105.07025	42.7
107.04978	9.0
107.08601	32.1
109.06533	10.7
109.10159	17.3
109.46239	2.0
110.12624	1.8
111.08087	5.8
117.07027	12.4
119.08578	38.5
121.06503	4.6
121.10123	17.8
123.08073	6.3
123.11699	8.0
125.09623	5.2
129.07008	4.5
131.08580	19.5
133.10133	23.9
135.08046	8.3
135.11691	10.1
137.09598	7.7
142.07845	2.0
143.08598	3.2
145.10129	14.9
147.04407	1.9
147.11691	21.4
149.09592	10.7
149.13261	7.4
151.11150	5.3
153.36887	1.9
155.08522	2.6
157.10135	5.7
159.04404	2.3
159.11687	11.5
161.13258	4.9
163.11183	6.8
163.14841	2.4
165.12738	4.3
169.10190	3.6
171.11682	3.8
173.13252	6.2
175.03915	10.6
175.11176	3.5
177.12703	2.8
185.13289	2.5
187.14798	2.8
189.11183	2.6
191.14340	2.2
193.05995	2.4
193.12299	2.1
195.13766	3.5
197.13203	3.0
229.08588	3.5
229.19484	3.7
239.17953	3.9
247.09752	5.9
247.20529	6.4
257.19019	9.7
259.09677	1.9
269.17459	8.0
275.20071	54.2
276.20285	2.6
293.20990	11.3
303.05130	2.2
349.23944	13.9
367.24985	28.9
368.25333	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25345	2.0
53.03937	6.0
54.24924	2.0
55.01876	22.4
55.05511	37.5
56.96568	5.4
57.03445	20.0
57.07061	9.3
59.11313	2.4
65.03931	4.5
67.05508	100.0
69.03426	4.5
69.06734	2.9
69.07069	36.3
71.04974	6.9
71.08618	9.6
79.05077	4.1
79.05502	51.4
81.03418	13.0
81.06593	4.6
81.07058	83.6
83.04984	16.1
83.08623	17.2
85.06551	12.2
91.05482	67.3
93.06489	3.3
93.07044	46.2
95.04971	22.3
95.08057	3.9
95.08608	36.9
97.02910	3.1
97.06538	8.0
97.10178	5.5
97.61805	2.2
99.08094	10.1
102.30490	2.7
105.07027	56.0
107.04955	20.5
107.08600	41.0
109.06511	9.9
109.10152	47.4
111.08071	6.0
113.09679	2.2
117.06984	7.9
119.08575	16.7
121.06512	5.0
121.10164	12.3
123.08052	11.6
123.11703	9.9
125.09651	11.8
129.07034	3.9
131.08565	13.6
133.06445	3.5
133.10132	77.6
135.08049	4.5
135.11707	11.0
137.09665	11.6
145.10135	15.0
147.11674	8.1
149.09602	9.7
151.11182	44.4
159.03255	3.8
159.11670	5.6
161.13283	3.4
163.11160	10.3
165.09122	3.4
169.12215	6.9
173.13298	3.4
175.03886	3.6
175.11217	3.0
177.12741	6.3
179.10699	3.7
183.11667	3.0
195.08034	2.4
195.13765	2.8
201.05379	2.8
244.06325	4.1
247.20619	5.0
253.14349	5.7
257.18866	2.8
275.20041	26.3
293.21057	8.3
298.11301	7.7
303.05392	4.6
321.06317	20.3
339.07501	5.2
349.23721	4.0
367.11719	10.9
367.24869	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.4
55.01872	18.3
55.05269	2.3
55.05514	27.6
55.08624	1.7
57.03439	17.4
57.07064	3.2
59.05001	2.4
65.03931	4.1
67.05505	66.2
69.03407	5.7
69.06735	2.3
69.07072	33.6
69.34483	8.3
69.34906	5.7
71.04983	5.4
71.89089	1.5
79.05494	55.6
81.03413	5.8
81.07056	100.0
83.05000	8.6
83.05396	1.7
83.08616	18.4
85.06538	5.5
87.40583	1.8
91.05473	38.8
91.12305	1.6
93.07043	47.3
95.04983	16.5
95.08609	45.0
97.06538	21.1
97.10178	8.8
99.04472	1.6
99.08086	4.1
99.11877	1.6
105.07030	40.1
107.04946	15.0
107.08598	34.2
109.06510	14.9
109.10149	24.7
110.09538	1.7
110.10435	1.5
111.08092	11.0
115.05473	1.9
117.06995	10.7
119.08586	32.4
121.06506	5.6
121.10146	19.7
123.08058	5.7
123.11691	6.2
125.09635	7.9
129.07016	5.7
129.85237	1.6
131.04994	2.1
131.08565	19.7
133.10132	24.9
135.08012	7.4
135.11682	12.6
137.09601	7.7
137.84035	2.0
139.11194	2.9
141.06924	1.9
143.08574	3.4
145.06500	2.3
145.10127	17.8
147.11707	16.8
149.09604	15.0
149.13246	6.1
151.11169	6.4
155.08415	2.0
157.10153	4.4
159.11674	11.5
161.09552	2.2
161.13301	3.3
163.11249	10.9
165.12738	4.4
169.10153	4.6
171.10211	4.4
171.11697	4.3
173.09763	1.8
173.11891	1.7
173.13277	8.9
175.03874	9.5
175.11137	1.8
175.14850	1.7
177.12782	3.5
179.10629	1.6
179.14294	2.6
183.11705	2.3
185.13283	2.2
187.03918	4.0
187.07518	2.6
187.14775	2.8
189.11244	5.6
195.13823	2.5
197.13332	3.6
205.19626	2.0
211.51726	1.7
217.15887	1.6
227.12708	2.1
229.08588	3.4
229.19528	2.5
239.17928	4.7
241.08687	2.6
247.09607	4.8
247.20450	7.9
251.20001	2.3
257.19003	8.5
259.09821	3.1
269.17496	3.7
275.20065	59.0
276.20456	3.9
293.21091	8.8
331.22574	2.3
335.09103	1.7
349.23758	17.5
367.11670	4.0
367.24930	33.0
368.11789	2.9
387.53900	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25345	2.0
53.03937	6.0
54.24924	2.0
55.01876	22.4
55.05511	37.5
56.96568	5.4
57.03445	20.0
57.07061	9.3
59.11313	2.4
65.03931	4.5
67.05508	100.0
69.03426	4.5
69.06734	2.9
69.07069	36.3
71.04974	6.9
71.08618	9.6
79.05077	4.1
79.05502	51.4
81.03418	13.0
81.06593	4.6
81.07058	83.6
83.04984	16.1
83.08623	17.2
85.06551	12.2
91.05482	67.3
93.06489	3.3
93.07044	46.2
95.04971	22.3
95.08057	3.9
95.08608	36.9
97.02910	3.1
97.06538	8.0
97.10178	5.5
97.61805	2.2
99.08094	10.1
102.30490	2.7
105.07027	56.0
107.04955	20.5
107.08600	41.0
109.06511	9.9
109.10152	47.4
111.08071	6.0
113.09679	2.2
117.06984	7.9
119.08575	16.7
121.06512	5.0
121.10164	12.3
123.08052	11.6
123.11703	9.9
125.09651	11.8
129.07034	3.9
131.08565	13.6
133.06445	3.5
133.10132	77.6
135.08049	4.5
135.11707	11.0
137.09665	11.6
145.10135	15.0
147.11674	8.1
149.09602	9.7
151.11182	44.4
159.03255	3.8
159.11670	5.6
161.13283	3.4
163.11160	10.3
165.09122	3.4
169.12215	6.9
173.13298	3.4
175.03886	3.6
175.11217	3.0
177.12741	6.3
179.10699	3.7
183.11667	3.0
195.08034	2.4
195.13765	2.8
201.05379	2.8
244.06325	4.1
247.20619	5.0
253.14349	5.7
257.18866	2.8
275.20041	26.3
293.21057	8.3
298.11301	7.7
303.05392	4.6
321.06317	20.3
339.07501	5.2
349.23721	4.0
367.11719	10.9
367.24869	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	367.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03825	0.6
55.05391	1.4
57.03582	0.6
58.54844	0.5
64.30379	0.5
69.03323	1.1
69.03640	0.6
70.06445	33.4
70.07121	1.3
70.84066	0.9
70.84389	0.9
71.06801	0.6
72.08001	1.7
79.05339	1.9
81.03302	1.2
81.04386	4.8
81.04908	0.9
81.06898	11.6
81.07433	2.9
84.04390	1.1
84.04826	0.6
84.07980	2.5
85.02757	1.7
85.07548	0.6
86.09563	1.2
87.00715	1.3
91.05382	0.6
93.04414	0.7
95.04839	1.4
97.02724	1.7
97.03828	2.6
97.07526	1.3
99.04240	0.6
99.07952	0.8
105.01724	0.9
107.04823	0.9
108.05424	25.8
108.06237	3.0
109.02774	1.2
109.03905	1.2
109.07509	0.7
110.06983	3.4
114.05380	0.9
116.06950	0.8
120.05407	10.0
120.07935	1.3
121.02733	0.7
122.07038	0.8
125.06918	4.0
127.03764	2.1
129.10063	0.8
136.04872	31.1
136.05992	2.4
136.07426	1.1
137.06918	1.3
145.04807	1.3
150.10144	0.9
152.06894	0.6
152.48090	0.6
154.06013	1.0
160.08722	3.5
164.04405	1.8
173.05763	0.7
177.11354	15.8
178.04831	1.5
188.08176	0.6
189.11244	0.8
203.10156	0.6
205.10851	20.9
206.04295	1.7
206.07945	0.9
206.12859	6.3
208.14354	0.7
213.12180	2.4
215.09071	1.7
224.13777	1.3
225.12241	0.8
233.10333	31.2
234.10239	0.8
234.12439	3.8
251.11351	0.7
252.13426	2.8
275.18460	0.6
280.12784	1.3
285.17142	3.2
303.18231	3.2
313.16553	6.1
321.19196	3.7
331.17627	18.3
349.18698	100.0
350.18991	3.8
367.19766	35.8
367.72479	0.6
368.20337	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	367.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01860	5.4
55.05519	11.2
56.96556	2.4
57.03424	1.7
57.07062	6.2
59.04995	2.6
65.03936	8.6
67.05505	37.2
69.03425	8.1
69.07069	10.3
69.34403	3.5
69.34805	12.6
75.00022	5.6
76.00431	1.5
79.05066	2.3
79.05490	27.4
80.82211	1.4
81.03411	18.6
81.07053	24.7
83.04966	2.6
83.08601	6.6
85.06545	3.5
90.20533	1.4
91.05477	38.9
92.05810	1.5
93.07038	26.4
94.88724	1.5
95.01331	49.0
95.04968	100.0
95.08611	15.7
97.02864	5.3
97.06517	5.3
97.10149	2.7
103.03142	4.2
103.05469	4.6
105.07027	38.4
107.04937	9.9
107.08596	45.1
109.06547	11.7
109.10149	5.8
111.04427	3.5
111.08060	2.5
115.05459	6.1
117.07026	12.9
119.04939	3.0
119.07805	2.6
119.08585	26.0
121.02001	3.3
121.02866	61.1
121.06493	14.2
121.10133	17.1
122.03197	2.7
123.04415	2.4
123.08067	5.1
123.11717	5.0
126.48936	1.6
128.06241	9.4
129.06989	15.8
130.07761	2.2
131.00050	2.7
131.04927	4.5
131.08569	25.9
133.06461	7.4
133.10127	18.2
135.08049	6.6
135.11671	7.2
137.05928	4.8
137.09581	3.0
139.03851	1.9
140.98444	3.7
141.06981	7.0
142.07761	10.9
143.08559	19.7
144.09312	5.9
145.06470	10.6
145.09048	3.1
145.10112	29.4
147.04399	8.3
147.08023	6.1
147.11684	12.4
149.06006	2.3
149.09625	7.8
149.13264	2.0
152.06172	2.4
153.07033	3.0
154.07768	3.6
155.08531	10.3
156.09325	6.5
157.10133	22.4
158.10884	2.6
159.04381	6.3
159.08049	9.5
159.11676	23.5
161.05954	4.7
161.09621	5.2
161.13280	11.6
163.03941	4.3
163.11191	2.4
165.07022	6.0
166.07782	3.7
167.07269	2.2
167.08583	8.7
168.09370	3.6
169.06471	3.5
169.10129	13.8
170.10944	3.0
171.08081	9.0
171.11673	11.3
173.06017	3.3
173.09680	7.5
173.13248	14.5
174.98981	3.0
175.03908	49.0
175.07491	1.8
175.11127	2.4
176.04285	2.5
177.05466	4.9
178.07732	2.3
179.08545	4.8
180.09384	2.9
181.10109	9.4
182.10881	4.5
183.08040	5.1
183.11655	13.0
185.05980	2.4
185.09634	7.4
185.13260	10.5
187.03912	14.8
187.07582	5.2
187.11121	4.7
187.14842	6.7
189.00621	3.0
189.05431	5.7
192.09267	2.6
193.10155	5.2
194.10849	2.5
195.08038	3.7
195.11682	7.9
196.08873	2.3
197.09607	5.9
197.13242	8.5
199.07515	2.6
199.11205	4.2
199.14780	3.3
201.05476	5.0
201.09029	3.0
201.12770	5.4
203.03453	4.2
203.06955	3.5
204.09430	2.6
205.10196	3.3
206.10835	3.0
207.11731	5.4
209.09676	3.7
209.13283	5.6
210.13870	2.5
211.07547	1.9
211.11153	2.9
211.14819	6.5
213.09097	5.8
213.12743	4.3
213.16367	2.9
215.10785	2.5
215.14326	18.0
215.17891	10.7
216.15019	1.9
217.05099	2.3
217.10220	2.1
218.10945	1.9
219.11729	4.0
220.12457	2.0
221.09682	2.8
221.13208	3.4
223.11165	4.0
223.14781	3.2
225.12756	2.7
225.16319	10.1
226.06232	2.0
227.10759	2.6
227.14401	4.7
229.03682	3.3
229.08569	18.2
231.09955	7.6
233.09682	2.4
233.13271	2.6
235.11307	4.4
235.14723	3.2
237.12759	5.6
239.14287	2.7
241.08597	6.9
243.10226	2.6
243.17456	11.0
245.15382	2.8
247.09544	21.0
249.12737	5.1
251.14291	6.9
253.12276	2.4
253.15851	3.8
259.09729	5.0
261.12811	3.2
263.14365	3.9
265.15897	2.5
275.20148	11.6
277.06299	3.4
277.15771	7.9
279.17462	2.5
291.17340	3.1
292.18118	3.7
293.18768	14.1
303.17453	2.7
307.13382	3.1
311.20068	2.8
313.14288	4.0
321.18579	10.9
339.19348	3.7
349.12189	2.9
349.18076	5.7
349.23834	2.8
359.13306	2.7
367.11716	3.7
367.14160	1.8
367.18997	33.2
367.24142	4.6
371.02960	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01854	2.5
55.05500	5.8
57.07072	3.4
62.01817	2.4
65.03934	4.5
65.06027	1.9
67.05515	27.1
69.03426	6.3
69.07066	7.1
69.81043	2.2
69.84840	10.9
77.03910	2.4
79.05505	19.1
81.03426	17.5
81.07049	14.0
83.04963	2.2
83.08620	4.2
85.06543	2.5
91.05482	28.5
93.07059	19.4
95.01334	51.3
95.04974	100.0
95.08598	6.9
97.02879	2.5
103.05464	3.7
105.07036	32.0
107.04957	6.0
107.08597	39.5
109.06506	8.7
109.10155	5.7
109.81985	2.0
111.00703	2.2
115.05427	2.8
117.07022	10.6
119.08593	23.4
121.06519	12.1
121.10180	12.1
123.04399	2.5
123.08091	4.2
123.11690	2.0
128.06229	7.2
129.07040	12.7
131.04939	3.5
131.08582	24.5
133.06526	4.5
133.10123	19.1
135.08041	6.6
135.11665	4.5
141.07001	6.0
142.07755	9.0
143.08560	21.7
144.09323	5.2
145.06494	8.8
145.10139	27.2
147.08083	5.1
147.11687	11.8
149.09653	8.5
154.07773	3.0
155.08546	11.8
156.09297	5.8
157.06493	2.7
157.10138	19.4
158.10924	3.1
159.08087	17.0
159.11707	23.1
161.05925	3.7
161.09705	3.9
161.13280	11.5
163.11142	3.2
165.07059	3.0
167.08556	10.1
168.09360	3.1
169.06490	2.4
169.10107	10.0
170.10873	2.5
171.08069	6.9
171.11700	8.1
173.09599	7.9
173.13261	14.0
178.07861	2.5
179.08563	4.3
180.09383	3.2
181.10086	6.3
182.10797	2.7
183.08104	2.9
183.11710	11.9
185.09598	8.6
185.13246	10.6
187.07486	2.4
187.11128	4.8
187.14857	7.8
193.10158	6.1
195.08086	3.6
195.11713	10.0
197.09644	6.7
197.13225	12.1
198.10268	2.2
199.07635	3.3
199.11174	5.4
199.14844	5.1
201.09093	3.2
201.12766	5.3
203.08617	2.2
205.04852	2.3
205.10136	3.6
207.11694	5.8
209.09607	4.3
209.13274	5.4
211.11147	2.6
211.14764	7.2
213.09140	6.5
215.14360	20.5
215.17899	9.2
216.14865	2.5
218.10902	2.1
221.13225	3.8
223.11125	5.3
223.14900	2.4
225.12740	4.2
225.16388	9.5
227.14319	3.0
235.11179	6.4
235.14830	4.6
237.12675	5.2
241.15794	3.2
243.13774	2.7
243.17490	17.7
245.15530	3.1
247.14745	3.4
249.12790	5.2
249.16475	2.8
250.13678	2.2
251.10699	2.1
251.14316	6.5
253.15810	3.9
259.14728	2.7
261.12659	4.5
263.14407	4.4
277.15747	5.2
279.13828	3.6
279.17349	2.7
283.98251	2.2
291.17389	3.0
292.18231	5.1
293.16061	2.3
293.18951	13.8
303.17422	4.0
311.20059	3.2
321.18488	14.6
331.16809	3.1
349.17914	8.8
367.19092	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17854	0.4
51.10831	0.4
53.03942	0.8
55.01868	1.2
55.05508	4.0
57.03428	0.8
57.07085	0.5
59.04981	0.5
67.05504	4.1
69.03431	12.4
69.07076	3.8
70.06580	1.2
70.21104	1.2
71.01364	3.4
71.04984	1.2
79.05491	4.9
81.03407	1.2
81.07063	5.1
83.04977	7.7
83.08619	1.3
85.02904	2.9
85.06541	0.6
87.04432	0.4
89.03905	0.5
91.05474	5.6
92.40915	0.4
93.07038	4.1
95.04948	1.8
95.08608	3.3
97.06529	1.5
97.10143	0.6
97.23079	0.4
99.04443	0.7
99.08104	0.9
102.04681	0.8
103.05466	1.1
104.06240	0.7
105.03397	0.8
105.07037	4.8
107.04942	2.3
107.08597	3.6
109.02865	0.7
109.06498	1.2
109.10142	2.2
111.03715	0.6
111.04439	7.0
111.08044	1.0
115.05465	0.9
117.07021	1.6
119.04940	2.5
119.05666	0.4
119.07788	0.5
119.08580	3.6
121.02850	0.8
121.06497	1.0
121.10133	2.1
123.08045	1.1
125.09609	0.9
127.03896	0.5
128.06235	0.4
129.05487	1.8
129.07008	1.3
130.04129	1.9
131.04932	1.4
131.08575	2.5
132.05719	1.0
133.06471	1.7
133.10135	2.2
135.04417	2.5
135.08061	1.2
135.11702	1.3
137.06056	0.5
137.09622	0.5
137.13242	0.7
139.11186	0.4
141.06960	0.5
143.08524	1.1
144.05724	0.5
145.02812	0.7
145.06479	0.8
145.10152	2.2
146.06000	0.6
147.04439	6.4
147.08035	1.0
147.11676	1.3
148.05148	0.8
149.05959	1.1
149.09605	1.3
150.06804	0.6
151.03876	0.6
151.07574	0.7
151.11166	0.7
157.10126	1.1
159.04405	0.5
159.11699	1.5
160.05194	1.2
161.05972	2.4
161.09628	0.7
161.13261	0.6
162.06775	7.2
163.03908	7.4
163.07553	1.8
163.11183	0.4
165.07144	0.5
165.09085	0.7
167.07118	0.7
167.08437	0.6
169.10196	0.7
171.08061	0.8
171.11662	0.7
173.13243	0.7
174.03113	0.9
175.03899	5.5
176.04613	1.9
177.05418	2.8
177.12758	0.7
178.06238	7.5
178.07660	0.7
180.17479	0.9
185.13200	0.6
187.11267	0.7
189.05515	2.8
190.06250	24.4
191.03403	7.3
191.06972	1.8
192.92328	0.4
193.08623	14.3
194.08897	0.7
195.11758	0.7
197.13310	0.4
199.14861	0.7
205.05064	0.5
206.05754	7.9
213.16434	0.7
217.04947	0.5
221.08086	100.0
222.08434	2.3
235.16934	0.9
239.17920	0.5
247.09734	0.8
248.09915	0.6
257.19229	0.5
268.00504	0.5
275.20102	2.5
279.10110	0.5
281.17429	0.6
291.06635	0.5
307.11868	0.5
309.07462	0.5
335.09177	1.4
339.12393	0.5
367.14706	2.6
367.22034	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	367.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43972	0.3
53.03924	0.3
55.01841	0.4
55.05510	5.9
57.07075	4.8
59.04974	1.0
63.02368	0.3
65.03934	2.7
67.05503	18.5
68.05816	0.3
68.08395	0.2
69.07069	2.1
70.76202	0.8
71.04968	0.7
75.00034	13.6
77.01580	0.5
79.05499	1.4
79.05849	0.3
81.07069	1.8
83.01312	0.7
83.08625	0.4
85.06533	5.5
90.35261	0.3
91.03136	0.8
91.04910	0.3
91.05478	6.1
93.07015	1.2
95.04937	0.8
95.08630	1.4
97.06525	0.3
97.10102	0.3
103.03136	7.3
103.05444	1.2
105.07034	1.5
107.04956	0.6
107.08575	0.9
109.10117	1.0
111.08144	0.3
111.11622	0.3
115.05447	1.2
117.07000	0.8
119.04939	3.0
119.08546	0.9
121.04115	0.3
121.06487	0.5
121.10125	1.1
123.11658	0.5
128.06224	0.9
129.06972	0.8
131.04921	7.4
131.08542	0.5
133.06480	0.9
133.10085	0.5
141.06979	0.6
142.07803	0.4
143.04909	0.9
143.08551	0.4
145.06450	1.1
145.10161	0.5
147.04404	14.1
147.11690	0.6
148.05138	0.3
149.05980	0.4
152.06209	0.4
153.06915	0.3
155.08563	0.8
157.06462	0.4
157.10121	0.4
159.04417	13.4
159.08063	0.6
160.04727	0.4
161.06007	1.3
163.03911	5.9
165.06943	0.3
167.08536	0.5
171.04413	1.6
172.05193	0.3
173.05980	2.6
175.03900	100.0
176.04303	2.6
177.05472	8.6
177.06624	0.2
177.16290	0.3
178.05989	0.3
183.08133	0.3
185.05981	0.7
185.09622	0.6
187.03900	29.9
187.07469	3.9
188.04196	0.7
189.01852	0.4
189.05464	9.6
189.09106	0.4
190.05817	0.5
191.03357	1.1
192.58328	0.3
195.07999	0.5
198.06735	0.8
199.03900	4.6
199.07538	0.9
200.04588	0.5
201.05475	5.8
201.09106	1.0
203.01474	0.5
203.03386	8.7
203.06955	2.8
203.10655	0.8
204.03633	0.3
205.04945	0.6
211.07567	0.8
213.05501	2.9
213.08890	1.3
214.06209	0.5
214.09673	0.3
215.07031	3.5
217.05034	2.7
217.08525	2.1
221.04510	0.3
223.07552	0.3
225.09035	0.5
226.06236	4.1
227.06996	1.1
228.07776	1.5
229.08591	33.3
230.08908	1.2
231.10139	11.3
232.10477	0.5
235.01599	0.8
239.07022	0.6
241.08583	16.7
242.04086	0.3
242.08960	0.8
243.07704	0.5
243.10175	9.9
245.08052	0.9
247.09660	45.9
248.10016	1.5
249.03145	0.6
253.08556	0.9
255.10175	1.0
257.08145	0.7
259.09656	13.1
260.10016	0.5
265.06229	0.6
265.10770	0.7
269.11725	0.4
271.09686	0.6
275.19983	1.0
277.06256	8.7
278.06573	0.3
279.07867	3.0
283.07327	0.9
293.05740	1.9
293.21130	0.9
295.13293	3.4
313.14328	6.8
314.14627	0.5
321.12518	0.3
331.11572	1.5
331.15384	1.5
334.37491	0.3
349.08734	0.2
349.12009	8.4
350.12421	0.7
367.13086	9.3
367.24850	0.4
368.13422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1177
Annotation	Candidusin C
Peak:m/z	Relative Intensity
68.99796	1.3
71.17609	0.3
71.17944	0.3
81.07041	0.5
110.03652	0.6
122.03708	0.2
125.05986	1.2
131.05006	0.2
136.59276	0.2
137.02324	1.6
145.06476	1.1
151.03906	4.6
151.05048	0.5
159.04425	0.3
174.06798	0.3
175.07564	0.3
191.03664	0.3
193.04909	0.4
200.04662	1.5
201.05473	5.4
202.05730	0.2
203.03381	0.7
215.07027	0.5
219.06549	1.1
229.05038	0.5
235.07626	0.2
249.05615	0.2
253.08545	0.4
263.07077	0.3
281.04938	0.3
281.07919	1.2
291.06415	0.4
295.06146	0.3
295.09409	0.2
306.08820	3.1
307.09613	0.7
309.07553	3.8
311.05481	2.3
322.04611	0.5
323.09195	1.8
324.06369	0.4
324.09924	3.4
334.08356	4.7
335.09027	3.9
336.06329	0.4
337.07050	7.0
338.07669	0.4
349.10684	4.0
350.11230	0.3
351.08612	2.0
352.09421	18.7
353.09760	0.9
366.07657	0.5
367.11765	100.0
368.12131	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01883	5.7
55.05268	1.3
55.05515	18.4
55.35263	1.1
56.96548	1.7
57.03436	9.4
57.07072	2.0
59.05004	2.0
62.57608	1.0
65.03933	5.3
66.48895	1.0
67.05505	52.9
68.99738	1.1
69.03419	4.2
69.07069	12.0
69.18473	6.8
69.18896	4.7
71.04991	5.6
75.00035	31.8
79.05492	22.7
81.03423	3.6
81.07055	26.6
83.04996	7.4
83.08615	7.0
85.02909	2.0
85.06539	4.8
91.05476	19.4
93.07047	20.9
95.04971	10.9
95.08607	15.4
97.06522	6.5
97.10181	4.5
99.04449	1.6
99.08060	1.9
100.34754	1.1
103.03136	12.8
103.05457	1.4
105.03333	1.0
105.07023	15.4
107.04976	3.3
107.08597	15.9
109.06520	4.1
109.10163	11.6
111.04449	8.5
111.08070	6.2
115.05462	2.4
117.07027	6.0
119.04935	2.7
119.08574	12.4
121.02784	1.6
121.06507	3.2
121.10149	11.9
121.99862	1.2
123.08054	2.8
123.11718	2.6
125.09650	5.7
128.06235	2.3
129.07031	3.6
131.04909	7.7
131.08566	8.6
133.06509	1.3
133.10123	12.3
135.08034	2.8
135.11668	5.4
137.09627	1.8
139.11154	2.1
141.06989	2.5
143.04999	1.5
143.08585	2.9
145.06451	2.3
145.10107	8.3
147.04395	14.0
147.08067	2.7
147.11708	5.9
149.09615	7.3
149.13266	2.9
151.11174	3.4
155.08549	1.6
157.10112	2.3
159.04430	17.6
159.11691	6.1
161.06055	1.3
161.09653	2.0
161.13297	3.6
163.03986	6.3
163.11160	5.1
167.10695	1.1
169.10040	1.1
171.04454	2.2
171.08060	1.2
171.11722	3.1
173.06021	3.5
173.13286	4.1
175.03908	100.0
175.11223	1.3
175.14902	1.4
176.04298	2.8
177.05457	3.2
177.12811	2.2
183.08057	1.2
183.11743	2.3
185.05952	1.5
185.09590	1.2
185.13290	3.1
187.03906	36.8
187.07581	4.8
187.14769	2.4
189.05472	3.6
189.11288	2.4
189.12758	2.1
190.06245	4.9
191.03435	1.6
193.08594	2.3
197.13188	1.5
199.03925	6.2
199.07570	1.3
201.05484	4.7
203.03400	8.8
203.07121	2.1
203.12773	1.9
205.12305	1.1
206.05774	1.9
209.13326	1.3
212.68446	1.2
213.05516	4.0
213.09123	2.4
215.07085	3.8
217.04958	3.1
217.08565	2.8
219.17564	1.2
221.08096	20.4
221.15355	1.4
223.13318	4.3
226.06233	5.6
227.12601	1.5
228.07594	1.3
229.08607	34.8
229.19595	1.6
231.10228	1.4
238.59714	1.4
239.06976	1.3
239.17967	1.5
241.08594	20.2
243.10161	4.4
247.09665	64.3
247.20653	1.3
248.10098	2.4
249.03200	1.7
257.19058	3.2
259.09689	5.4
265.06348	2.1
275.20071	23.8
277.06281	19.9
279.07800	6.5
283.62100	1.0
293.21091	11.1
295.13361	3.1
313.14255	5.6
321.06531	2.5
331.11115	5.7
349.11996	15.2
349.23636	4.6
349.28812	1.1
359.13058	1.1
367.12433	3.4
367.24677	15.8
367.30161	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	367.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	3.6
57.72917	2.6
69.81843	11.7
69.82254	5.2
70.06574	4.7
72.70590	2.8
75.13621	3.0
78.73376	3.5
88.74368	3.3
98.97595	8.1
109.08607	3.0
109.91042	2.7
116.61565	3.0
116.98567	4.1
129.91754	3.2
144.10266	3.2
158.99626	2.9
281.05225	2.7
367.10013	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43048	0.9
55.77385	0.8
56.96565	47.3
57.03425	1.9
58.06588	4.8
69.03432	5.0
70.06578	4.7
70.30180	3.4
72.08158	1.4
73.02905	1.6
74.97576	1.1
84.08139	6.0
84.96019	5.2
85.02904	6.1
85.50865	1.0
97.02885	3.9
98.97584	58.7
100.98471	1.2
100.99142	20.6
108.91339	1.0
109.02879	1.4
110.07152	1.1
110.97561	14.5
112.99131	9.2
113.03461	1.4
115.00741	1.2
116.07086	1.2
116.78840	1.0
116.97823	1.8
116.98619	25.8
119.00177	9.2
124.99164	1.5
127.00685	4.0
127.03884	1.5
127.08675	2.2
128.98607	17.4
129.10229	1.9
131.00188	11.5
133.01704	2.5
134.99658	6.6
136.07578	1.5
137.01205	2.9
140.02487	1.1
140.98587	1.6
143.00166	4.4
144.97993	1.4
145.01715	18.5
146.99637	10.2
147.03201	1.1
149.01227	9.8
151.06293	1.6
152.98622	2.1
155.00169	1.2
157.01665	2.1
158.99652	10.0
160.07584	2.2
161.01227	7.3
162.05511	1.2
163.02779	58.4
167.02238	2.2
170.99672	5.6
173.01219	3.6
177.00676	12.0
178.04878	1.8
179.02344	2.3
181.03850	27.7
186.04420	1.4
187.02788	6.5
189.00735	5.6
191.02248	4.0
201.00690	4.8
205.02068	1.8
205.03859	15.9
205.07492	2.1
205.09622	1.9
209.03369	1.9
213.12373	1.3
217.03888	4.8
217.07457	2.5
219.01767	37.6
219.05212	2.0
223.04926	11.0
227.61197	1.1
232.96477	1.4
233.03271	1.3
235.04733	1.2
237.02818	76.6
241.03865	2.3
242.03394	1.8
245.03239	1.2
247.04849	4.8
248.57100	2.2
250.97595	2.1
251.04382	2.0
255.03842	6.5
259.05084	1.3
260.04440	3.1
263.04395	3.4
277.05856	1.8
277.09467	1.3
281.05420	1.4
295.06961	1.8
307.07028	100.0
307.10605	11.8
308.07266	2.8
321.08789	2.3
325.08063	99.7
326.08066	1.7
339.09732	1.3
348.09720	7.1
367.09116	47.1
367.19116	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	367.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04994	2.0
56.96561	100.0
57.03418	3.5
57.26122	2.1
58.06588	12.1
58.99854	3.2
61.02921	3.5
67.05481	2.4
69.03406	10.4
69.07037	3.9
70.06592	52.9
70.68098	5.0
70.68439	2.1
70.98113	16.9
71.04981	2.8
71.95225	1.8
72.08138	4.5
72.22711	2.4
74.06062	3.9
74.97599	4.8
77.00896	5.2
81.03396	5.2
81.07027	2.6
84.04472	3.3
84.08130	13.1
84.96004	8.6
85.02908	16.9
86.97546	2.5
88.99122	8.8
91.05452	4.8
91.52179	2.2
95.01924	7.0
95.04947	3.1
95.08580	4.5
97.02853	8.7
98.96951	4.8
98.97580	93.2
99.04458	3.0
100.99130	13.8
102.96938	2.4
105.03378	15.4
107.08616	2.7
109.02866	3.5
109.10142	4.5
110.07146	5.1
110.97549	22.9
111.08158	2.0
112.99099	8.8
113.60947	2.4
116.07056	9.6
116.97851	3.0
116.98615	40.0
117.03356	2.5
118.70047	2.1
119.00133	7.7
119.01897	5.9
119.04916	4.2
119.08529	3.4
120.06602	2.6
120.08072	3.2
123.11681	2.4
126.05454	2.6
127.03870	4.0
127.08662	19.9
128.98607	28.1
129.10185	3.9
130.96487	3.3
131.00174	15.6
131.01900	2.2
132.04416	3.2
133.01686	9.6
134.99663	14.5
136.07526	3.4
140.00104	3.3
140.98514	2.7
143.00125	8.6
144.96992	3.0
144.98073	37.5
145.01686	6.6
145.04967	3.6
146.99649	18.7
147.04370	7.5
148.97514	3.6
149.01212	12.8
151.02650	2.6
155.08154	14.5
156.98062	3.0
157.01762	2.8
158.99634	20.3
160.07582	5.5
161.01212	15.2
161.02365	2.8
161.02789	2.2
162.97818	3.4
162.99132	43.3
163.02776	15.7
165.00656	3.9
168.06551	2.6
169.04324	2.2
170.99582	6.2
173.01248	4.5
173.02933	7.1
173.06493	4.1
174.99063	7.1
175.02644	2.8
177.00708	25.7
177.05452	6.0
178.04944	9.7
179.02217	4.3
181.00148	10.0
181.03694	6.9
185.01109	2.6
186.99115	9.5
187.02734	5.5
187.08263	2.5
189.00739	12.6
191.02251	7.1
191.07616	9.1
193.00188	6.2
195.01750	5.4
201.00600	7.2
203.02237	3.1
205.00189	53.8
205.03796	9.0
205.09364	4.3
206.04462	17.1
207.01671	4.5
213.12350	14.7
215.02313	3.0
217.00163	6.8
219.01750	23.1
223.01236	99.2
223.04770	8.3
225.06021	9.8
226.00687	5.8
229.00151	2.7
235.01167	6.8
237.02759	31.2
237.13322	28.8
241.02293	18.2
246.02831	5.8
247.01262	78.1
247.04913	4.8
251.04420	16.2
252.13261	5.2
255.03775	7.0
255.14413	86.0
256.14484	2.4
257.03180	3.0
257.12415	2.9
259.01117	6.8
260.14908	2.8
261.02582	4.4
263.11472	3.5
265.02289	76.6
269.05341	8.8
273.15506	4.7
277.02261	13.3
278.15961	4.3
281.01651	3.2
281.12341	26.9
288.03836	7.1
295.03180	4.1
297.04776	2.5
297.15579	4.4
299.10248	4.1
299.13397	54.7
307.03482	4.7
307.06683	22.3
323.13290	3.4
325.08008	23.2
327.60477	2.3
341.14478	5.7
349.04321	9.0
362.87122	2.4
367.09683	80.3
367.18469	3.2
385.10059	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	366.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05510	0.5
56.05056	0.3
60.04526	2.7
67.05505	0.7
69.03420	0.6
69.07059	1.0
70.06590	1.5
71.04981	0.7
71.51704	0.5
72.08150	1.1
74.02428	0.3
79.05490	1.4
80.05856	0.2
81.03413	0.9
81.07060	1.4
81.28218	0.2
82.06580	0.5
83.04991	1.0
84.04531	0.3
84.08146	54.4
85.02896	0.4
85.04045	0.2
85.06551	0.8
85.08450	0.3
86.09720	2.7
88.04009	0.9
90.28316	0.3
91.05479	1.2
93.07056	1.3
95.08604	0.7
97.02879	0.7
97.06510	0.5
98.06053	0.3
105.03397	0.7
105.07054	0.6
106.31234	0.3
107.04977	0.6
107.08608	0.7
109.02866	0.5
109.10168	0.4
110.06054	1.4
110.07159	0.5
114.09170	0.9
117.07021	0.4
119.04977	0.3
119.08627	0.4
119.30730	0.2
120.08112	0.9
121.02866	1.6
121.06514	1.3
123.04442	0.2
123.11742	0.3
125.06013	0.5
127.03967	0.6
129.10222	0.4
133.10143	0.7
136.06186	0.3
138.05484	0.3
142.08725	0.4
144.10201	100.0
145.10544	0.6
147.04442	0.4
149.05972	0.7
151.11211	0.4
163.04008	0.3
164.04463	0.2
165.01805	1.4
169.12218	0.6
175.03896	0.5
183.02919	0.6
187.13232	0.4
200.09047	0.4
201.12366	0.4
203.08257	0.3
204.06635	0.2
204.08521	0.4
204.10292	0.3
218.10036	0.4
225.08653	0.4
228.08562	0.4
239.10373	0.3
242.10071	0.5
243.08476	0.4
245.09200	0.4
246.09546	1.1
246.42821	0.3
247.09686	0.3
253.11879	0.4
264.10626	0.7
283.06003	7.7
288.10620	0.6
288.37262	0.3
305.11288	0.6
306.11700	3.0
324.12756	1.2
330.26175	0.3
334.11160	0.9
348.15439	0.4
348.27295	0.5
366.13641	3.8
366.22784	15.5
366.28253	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.2
55.01867	8.0
55.05509	4.2
57.03441	8.5
61.02928	7.2
67.05498	2.0
68.99782	3.1
69.03426	37.3
70.06584	1.7
71.04997	4.6
71.11286	1.6
72.08144	1.0
73.02933	7.3
81.03421	26.2
81.07041	1.3
83.04979	1.1
83.08629	2.8
85.02905	100.0
85.56450	1.1
87.00829	41.5
91.03964	2.8
91.05471	2.3
93.07059	1.7
95.04956	1.3
96.93805	1.6
97.02891	27.9
97.06566	1.3
99.04453	14.8
105.01867	63.7
107.08573	1.4
108.04462	2.0
109.02884	25.5
110.07180	1.5
111.08108	3.6
117.01862	3.1
126.05553	1.3
127.03917	67.6
128.17171	1.2
129.01852	3.7
130.33456	1.1
135.08049	1.2
136.06190	28.9
136.25484	1.2
141.09108	2.7
145.04959	34.8
147.02907	2.4
147.04369	1.3
151.07541	2.1
158.68329	1.2
159.02888	13.6
162.09253	1.5
189.03952	3.7
191.10709	2.0
209.11742	3.6
213.03931	3.1
227.56097	1.3
231.05013	15.1
246.04755	1.5
249.06079	4.7
256.64886	1.4
295.11801	5.2
348.20352	3.9
366.10532	1.5
366.21378	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.7
60.04525	22.1
66.28825	0.7
69.03396	1.1
69.07034	0.9
70.02941	0.9
70.06579	2.5
71.53212	0.8
72.04499	1.1
72.08135	2.2
72.66646	0.6
79.05473	1.4
79.53236	0.7
81.03416	1.1
81.07039	1.2
83.04946	0.8
84.04457	0.9
84.07636	1.0
84.08141	19.8
85.02888	1.3
86.09705	69.0
87.05089	1.1
87.05588	16.9
87.10026	0.7
91.05478	2.0
92.05001	2.3
93.05766	0.8
93.07043	1.6
95.08563	0.7
103.05433	1.5
105.03387	1.6
105.07007	1.1
106.06533	1.1
107.04982	0.9
107.08584	0.8
112.11255	1.2
117.05773	0.8
118.06544	8.4
119.07302	1.3
119.08546	1.1
120.08107	34.5
121.02833	2.3
121.06506	0.9
121.08433	0.8
124.66334	0.7
128.10719	8.5
129.10228	0.7
130.06558	1.2
131.04897	1.0
132.08072	1.0
132.10236	0.7
134.09567	1.0
136.06161	1.5
144.08089	2.3
144.10197	29.4
147.04408	0.7
149.05936	1.3
162.09138	10.1
163.09914	2.9
166.08632	13.2
173.12859	100.0
174.13161	1.9
176.10548	0.7
201.12335	21.6
202.12859	0.8
202.15932	2.2
204.10268	1.6
205.08627	0.9
207.11314	8.7
219.13548	0.8
222.07491	0.6
230.15404	13.9
231.85725	0.8
235.10840	2.1
271.05966	1.0
274.18387	0.7
279.17047	2.5
283.46210	0.7
292.19058	24.6
293.19421	0.9
326.78128	0.7
366.15359	2.0
366.22769	60.6
367.07568	0.9
367.23126	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2686
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05507	2.0
57.03415	0.6
57.07069	3.2
59.04995	0.4
65.03925	0.5
67.05503	9.3
68.08970	0.4
69.07063	2.3
70.03261	2.5
70.90571	0.5
71.08603	0.5
79.05485	2.8
81.06590	0.7
81.07053	10.0
83.04979	0.6
83.08611	0.7
85.06502	1.0
91.05481	2.4
93.07043	4.7
95.04970	1.4
95.08607	9.6
97.06531	0.8
97.10142	0.8
105.07006	2.9
107.04920	0.4
107.08590	3.9
109.06486	2.1
109.10160	3.5
110.72506	0.4
111.08091	0.6
117.07045	0.9
119.08572	1.9
121.06483	0.6
121.10124	2.1
123.08076	3.0
123.11688	1.7
124.08833	1.4
127.03915	0.5
131.08580	1.0
133.10104	1.8
135.08060	1.4
135.11707	1.7
137.05998	0.8
137.13225	0.8
143.08560	1.1
145.10110	1.5
147.11710	1.2
149.09578	0.7
149.13277	1.0
151.07544	3.9
151.89490	0.4
152.08316	6.1
157.10109	0.9
159.11700	1.0
161.09630	0.4
161.13277	0.5
163.11226	0.5
165.09105	9.5
169.10106	0.6
171.11722	0.4
173.13203	0.8
177.12689	0.5
179.10609	2.3
179.14317	0.6
179.81311	0.5
181.10176	0.5
183.11687	0.4
185.13260	0.6
187.14951	0.5
194.13037	4.3
195.11600	0.8
197.13347	0.6
207.13873	1.7
223.14973	0.6
235.17101	0.7
249.18510	0.7
263.20126	2.2
269.22598	0.9
277.21594	0.6
289.25293	0.7
291.19614	0.5
295.13330	1.7
297.22153	0.6
311.19034	0.5
315.23108	2.1
319.26120	0.8
320.70721	0.5
333.24234	3.1
347.25806	17.0
348.26144	0.9
365.26871	100.0
366.27173	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	366.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01865	0.5
57.03432	1.4
61.02931	2.1
69.03432	6.7
70.06571	0.3
70.66122	0.5
70.66516	0.5
71.01328	0.3
71.04990	0.7
73.02914	1.5
76.53133	0.3
81.03413	2.3
84.08116	0.3
85.02905	8.7
87.04452	1.6
91.03942	0.5
97.02890	4.1
99.04444	0.6
105.03392	0.4
108.51859	0.2
109.02873	1.6
120.08105	0.6
127.03911	1.6
130.06535	0.6
145.04935	0.7
158.06033	1.5
158.09602	0.3
160.07571	1.0
162.05493	1.2
173.19905	0.3
176.07140	0.4
180.75243	0.2
186.09138	75.9
187.09459	1.5
192.19075	0.3
204.10194	100.0
205.10542	1.9
219.14951	0.3
222.59065	0.2
315.68344	0.3
366.15475	33.8
367.15866	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25583	4.1
51.32000	3.6
55.01854	4.0
55.05513	23.4
56.55213	3.8
57.03438	7.2
67.05502	33.3
68.05833	5.7
68.60942	3.8
69.07064	16.5
69.56795	19.9
69.57224	10.1
69.91053	4.1
70.06596	6.4
71.04985	6.5
71.31129	3.6
79.05480	23.5
80.05826	7.6
81.03419	6.4
81.07057	28.8
82.07407	6.2
83.04977	6.1
84.08118	5.2
85.06541	16.6
90.18379	3.7
91.05478	33.6
92.05802	8.2
93.07056	24.2
94.07378	8.9
95.04990	9.8
95.08607	13.9
96.08969	7.3
98.21512	5.2
102.83239	4.2
105.07042	25.9
106.07369	13.5
107.04963	8.9
107.08582	9.2
108.08925	5.8
109.06487	5.0
109.10149	6.6
115.05490	5.4
117.07028	9.6
118.07400	6.4
118.18197	4.2
119.08601	14.5
120.08879	7.8
121.10110	6.1
123.08070	3.9
128.77679	3.9
129.07005	4.1
130.07390	4.5
131.04991	5.1
131.08575	16.5
132.08925	17.6
133.10088	5.4
134.10432	6.7
135.08058	8.6
143.08624	9.9
144.08922	14.6
145.10075	13.4
146.10475	15.2
147.04453	8.1
155.08537	4.9
158.10400	7.0
159.04396	5.2
160.12106	6.3
162.09964	6.5
171.11580	4.9
175.03917	68.2
177.05481	10.3
187.03960	14.1
195.11732	4.9
196.11990	5.1
203.03369	15.3
205.04965	7.1
218.01961	21.0
229.08630	12.4
231.02882	100.0
233.04431	59.9
238.16620	5.4
241.08615	14.9
243.10138	7.6
247.09624	26.4
256.17773	5.0
274.18726	20.8
275.20230	4.6
292.19702	5.4
299.09146	16.8
302.08743	5.2
313.14368	11.4
317.10251	22.2
331.15417	9.3
348.22375	8.5
366.23645	14.2
367.11688	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.4
55.01875	16.6
55.05276	4.4
55.05516	51.3
56.96571	3.6
57.03442	18.4
57.07093	3.9
59.04989	3.2
59.87305	2.3
65.03947	5.1
67.05511	76.3
69.03424	8.6
69.07071	33.9
70.56554	6.0
70.56895	3.5
71.05005	9.2
72.08165	3.7
73.07542	2.6
77.03898	3.3
79.05500	75.0
81.03417	8.7
81.07061	90.6
83.04992	16.6
83.08624	17.7
84.08121	2.7
85.06537	8.4
91.05486	100.0
93.07050	71.7
95.04975	33.0
95.08617	60.1
97.06546	11.4
97.07160	2.4
97.10181	13.6
99.08127	4.0
103.05481	4.3
105.03407	3.2
105.04503	3.0
105.07038	84.2
105.09419	3.2
107.04962	17.0
107.08595	41.0
108.08977	2.8
109.06526	19.2
109.10156	17.8
111.08109	3.0
111.11743	3.0
115.05470	11.3
117.07014	52.3
119.08580	56.7
119.09366	4.1
121.06506	15.7
121.10141	23.8
123.04555	2.7
123.08073	10.2
125.09631	7.6
128.06238	25.7
129.07013	36.3
130.07788	10.5
130.56914	2.4
131.07593	5.9
131.08572	93.9
133.06491	10.4
133.10141	35.2
135.08087	18.7
135.11711	11.3
137.09592	7.8
139.11174	4.9
140.07050	4.5
141.06973	11.8
142.07756	8.2
143.08563	99.5
145.06476	5.2
145.10133	81.4
147.08076	20.4
147.11728	13.6
149.09613	15.0
149.13287	4.4
151.11240	3.6
155.08543	9.1
157.10132	36.5
159.08058	6.6
159.11693	22.9
161.09621	26.1
161.13260	4.7
163.11230	8.1
167.08591	6.5
168.42757	2.6
169.10146	18.7
171.11714	29.7
173.09615	6.4
173.13255	6.4
175.03902	10.6
175.11171	7.5
177.12733	5.0
181.10135	10.2
182.10806	3.3
183.11743	13.0
185.13292	10.5
187.11267	4.1
189.12758	3.9
195.11717	24.0
197.13330	6.7
199.11198	4.3
199.14873	7.1
201.12761	3.2
203.12749	3.2
207.11842	4.3
211.14897	4.7
213.12752	4.6
227.17842	12.2
229.08649	3.0
231.02943	12.6
233.04453	7.1
237.16417	21.2
245.04495	3.2
245.19073	9.2
247.09721	4.6
255.17346	15.3
273.18509	64.1
291.19537	14.9
344.59387	3.0
347.22134	20.1
365.23184	23.6
365.28397	4.2
383.72876	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	365.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58979	1.6
53.03934	2.4
55.05506	12.4
57.03423	5.5
57.07045	1.8
59.20613	1.6
62.79820	1.5
64.61664	1.7
65.03931	3.8
67.05505	88.5
69.07072	8.9
69.85730	6.6
69.86150	3.4
71.04983	3.0
79.05497	26.5
79.73819	2.1
81.07053	100.0
83.04976	1.8
83.08596	4.8
85.06542	2.6
91.05471	11.2
93.06480	2.4
93.07043	29.4
95.04949	6.3
95.08606	72.2
97.06515	2.1
97.10175	2.9
98.21426	2.4
99.04465	2.1
105.07032	11.8
107.08601	20.0
108.09018	1.7
109.06487	4.6
109.10153	42.5
115.03914	4.3
115.36665	1.8
117.06995	4.6
119.08538	10.6
121.10153	15.0
123.11709	26.1
127.03878	5.3
129.07005	2.9
131.08577	8.6
133.10127	9.9
135.08038	2.5
135.11694	11.7
137.09630	2.4
137.13290	9.6
143.08542	4.3
145.10132	7.3
147.11685	8.7
147.20317	1.8
149.09579	2.1
149.13222	8.8
157.10133	3.7
159.04318	3.4
159.11647	6.9
161.13275	5.8
163.14810	3.3
171.11671	5.1
171.81755	1.6
173.13258	5.3
175.14828	3.1
179.14163	1.7
183.11713	1.9
185.13208	3.4
187.03925	11.6
187.14780	3.2
189.16431	1.7
199.14783	4.2
213.16238	2.6
215.17972	2.0
217.15778	2.2
223.07494	7.0
224.07909	1.9
229.08646	10.5
239.17929	2.2
241.19565	3.7
269.22632	4.8
287.23764	4.3
289.25247	8.0
295.13336	16.1
297.22095	5.3
315.23138	21.0
333.24249	43.5
334.24493	3.7
365.21432	3.6
365.26871	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	365.2324
Annotation	Cespihypotin N
Peak:m/z	Relative Intensity
53.03946	6.0
54.72765	1.7
55.01876	7.9
55.05520	14.0
57.03437	6.4
57.07072	3.8
67.05505	23.7
69.03418	4.2
69.07058	12.3
71.04989	2.5
71.08632	42.9
79.05489	11.7
81.03423	10.2
81.07054	22.6
83.04963	4.7
83.08617	8.0
91.05486	9.8
93.07039	15.5
95.04972	13.4
95.08630	17.4
97.02897	7.4
97.06546	2.2
98.20695	2.2
99.04444	2.6
99.08087	27.1
105.07047	8.7
107.04967	2.4
107.08568	8.1
109.02866	16.9
109.06509	3.4
109.10162	10.8
111.04463	3.4
111.08103	2.5
115.03162	3.6
115.03925	35.5
117.07014	3.7
119.08603	5.0
121.06494	4.8
121.10144	5.4
123.04454	6.5
123.08070	3.5
123.11713	4.2
125.09628	4.9
125.78950	1.6
127.03924	57.9
127.07529	1.7
131.08556	4.0
133.10127	7.2
135.08124	3.2
135.11691	2.5
137.05988	4.1
137.09586	3.8
141.05461	2.8
143.08575	2.7
145.10133	5.3
147.08078	3.4
147.11687	2.2
151.11238	3.0
157.10110	2.3
159.11760	3.2
161.09666	5.5
161.13303	1.8
165.09120	3.7
165.12762	1.6
171.10204	2.0
177.12741	9.3
179.10667	9.8
183.10225	3.2
183.11691	2.5
184.57272	1.6
197.11745	21.3
197.13298	2.5
207.10216	10.3
213.16400	1.8
215.12820	2.1
225.11208	23.4
229.24278	2.1
243.12244	22.7
267.15964	7.9
277.14349	3.1
291.15915	1.8
293.21130	4.1
301.21356	1.9
316.69980	2.0
319.22644	14.2
321.24533	2.6
329.21011	6.1
333.24445	1.9
347.22180	100.0
348.22592	4.8
365.23236	18.2
365.27432	12.6
365.31830	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.6
54.44084	2.6
55.01866	13.0
55.05514	36.3
56.52843	2.4
56.96545	2.6
57.03437	19.7
57.07080	2.4
63.12518	2.2
65.03929	3.3
65.88187	2.3
67.05504	54.1
69.03440	17.1
69.07071	56.4
69.40596	19.7
71.04985	6.8
72.74884	2.4
74.82923	2.5
79.05495	47.1
81.03423	13.9
81.07056	54.2
83.05000	14.9
83.08624	15.3
85.06538	3.4
91.05481	40.1
93.07049	40.5
95.04980	16.9
95.08601	25.3
97.02901	17.9
97.06536	8.4
97.10177	15.0
105.03391	4.9
105.07026	31.0
107.04979	17.1
107.08598	33.6
109.02938	2.9
109.06505	11.3
109.10156	24.1
111.04469	2.4
111.08065	8.8
115.05428	4.0
117.06993	14.5
119.04932	2.8
119.08575	28.3
119.47353	2.3
121.02894	5.2
121.06509	10.5
121.10142	12.4
123.08076	8.8
123.11678	5.5
125.09621	12.4
129.06981	6.0
130.07829	2.2
131.08569	18.0
133.06477	7.5
133.10126	27.2
135.08072	14.0
135.11684	6.8
137.09636	5.4
141.06952	4.3
143.08537	8.2
145.06491	4.2
145.10098	14.2
147.08041	10.3
147.11722	6.4
149.09637	7.6
151.11140	15.8
155.08536	3.2
157.10106	13.0
159.08063	4.7
159.11722	7.6
161.09650	10.5
161.13237	3.0
163.07640	2.7
163.11176	2.8
165.09090	5.0
166.09238	2.5
169.10139	3.4
169.12282	2.3
171.11684	9.9
173.13313	4.2
175.03885	3.6
177.12788	3.1
183.11746	3.9
185.13223	4.3
189.11244	7.7
189.12769	3.4
193.12070	2.6
195.13887	3.1
197.13260	2.5
199.10994	2.9
205.12231	5.8
213.12698	3.1
223.13271	28.4
227.12692	2.7
227.17932	5.4
245.19028	7.1
253.14325	6.1
255.17700	3.0
263.20056	6.9
273.18494	33.0
291.19556	100.0
292.19739	3.3
318.27887	2.7
347.22498	2.7
351.17651	3.3
365.10211	4.1
365.16971	5.4
365.23615	51.5
365.28091	4.3
366.23499	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.9
54.56480	2.3
55.01864	6.1
55.05513	46.6
56.96552	3.9
57.03432	15.3
58.79818	2.1
65.03940	5.1
67.05507	61.0
69.03418	5.4
69.07066	28.7
71.04989	4.8
71.51543	2.2
71.51927	3.3
79.05496	70.6
81.03410	5.3
81.06593	5.1
81.07058	78.4
83.04981	10.0
83.08624	15.5
85.06537	6.1
87.74352	2.3
91.05482	100.0
93.07047	74.0
95.04977	18.3
95.08611	48.7
97.06526	10.3
97.10172	13.5
99.08080	3.8
103.05476	2.3
105.03338	2.4
105.07035	77.3
107.04945	12.1
107.08594	36.5
109.02828	2.6
109.06539	16.6
109.10155	16.5
111.08078	6.0
115.05469	11.4
116.06229	4.3
117.07018	51.0
119.04969	2.9
119.08583	52.3
121.06490	13.5
121.10143	25.9
122.05984	4.2
123.08074	12.0
125.09631	7.3
128.06224	23.4
129.06996	32.7
130.07779	8.0
131.04984	2.5
131.08568	92.5
133.06485	9.9
133.10149	27.0
135.08066	5.8
135.11674	11.8
137.09605	4.4
139.11191	8.8
141.06990	14.4
142.07762	7.2
143.08562	91.9
145.06451	4.0
145.10132	98.6
146.10402	2.7
147.08025	14.9
147.11650	16.8
149.09616	9.2
149.13167	3.5
149.15651	2.1
154.07767	2.6
155.08551	8.4
156.09337	2.3
157.10132	28.2
159.08038	7.3
159.10356	3.5
159.11693	22.6
161.09616	17.1
161.13321	6.1
163.11205	6.1
165.07063	3.9
165.83655	2.2
167.08578	5.2
169.10136	21.0
171.08028	3.4
171.11679	19.9
173.09633	7.4
173.13293	6.1
175.03955	4.0
175.11198	8.4
177.12706	6.1
181.10155	12.6
183.11684	10.7
185.13239	12.3
187.11211	3.2
187.14827	2.6
189.11212	3.1
189.12822	3.0
195.11702	24.0
197.13286	3.8
199.11192	3.2
199.14970	3.6
201.12724	4.6
209.13298	4.7
211.14751	2.8
213.12740	6.1
215.17932	2.8
227.18019	7.4
237.16368	19.1
245.07944	2.3
245.19049	8.3
255.17422	19.7
271.58408	2.9
273.18488	46.4
291.19470	6.8
313.14438	3.0
347.18991	2.4
347.22299	23.6
351.07355	2.9
365.19229	6.8
365.23419	10.4
365.28070	2.9
366.09802	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	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.9
53.41999	3.2
55.01882	19.1
55.05517	39.9
57.03439	25.5
57.07067	6.1
65.03945	8.3
67.05506	98.7
69.03416	7.3
69.07077	31.8
70.06574	5.0
71.04991	7.5
71.51583	5.8
76.24368	3.5
77.03915	3.3
79.05494	70.9
81.03414	15.8
81.07066	100.0
83.04984	24.8
83.08624	13.1
85.06551	11.9
87.84457	3.3
91.05486	89.6
91.06025	7.5
93.07048	84.9
95.01318	3.8
95.04981	35.1
95.08606	45.7
97.02899	3.7
97.06545	14.5
97.10187	3.9
103.05443	4.9
105.04565	4.9
105.07043	74.6
105.07699	6.6
107.04967	27.6
107.08607	57.3
109.06511	22.9
109.10166	42.5
111.04440	5.5
111.08067	10.8
117.07008	17.0
119.08595	24.5
121.06497	20.3
121.10124	21.6
123.04443	6.3
123.08097	9.8
123.11715	12.1
125.09596	5.2
128.06239	5.1
129.07014	16.1
129.36360	3.2
131.08595	32.0
133.06476	21.1
133.10136	91.0
134.06033	4.7
135.04355	4.4
135.08064	20.7
135.11720	6.1
137.06006	5.1
137.09622	8.0
139.07561	8.8
143.08578	12.3
145.06442	7.3
145.10112	20.5
147.08087	12.9
147.11711	10.3
149.09653	21.3
151.03888	5.5
151.11198	48.2
152.30603	3.3
155.08656	4.2
157.10123	6.9
159.08093	13.2
159.11720	10.0
161.09665	19.4
161.13335	4.5
163.11240	3.5
165.09074	5.8
169.12228	7.0
170.07335	3.2
171.11720	13.6
173.09639	5.0
175.11195	10.6
177.09137	11.4
179.10873	3.3
183.11693	3.7
185.09575	3.7
185.13290	5.8
187.11237	5.5
188.67953	3.7
189.12682	4.8
199.11192	4.2
225.16394	5.5
227.18117	4.2
242.98190	3.6
245.19022	17.1
253.14319	29.7
255.17696	4.9
263.20187	6.8
273.18484	45.3
276.02341	4.2
291.19501	35.6
347.22171	4.8
365.17343	8.2
365.23264	52.7
365.28183	5.6
365.33612	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.9
54.41356	1.8
55.01871	18.7
55.05514	31.8
57.03441	25.1
57.07072	4.6
59.05003	13.0
65.03940	4.6
67.05508	94.6
67.89944	2.0
69.03425	13.0
69.07068	30.1
69.52741	11.2
69.53156	4.9
71.01350	2.3
71.04993	6.0
73.93024	2.0
79.05495	67.3
81.03424	15.6
81.07058	100.0
83.04986	20.3
83.08621	12.4
85.02891	2.6
85.06540	10.2
91.05484	87.7
91.82645	2.0
93.06487	3.5
93.07047	58.1
95.04973	29.4
95.08607	34.3
97.02899	2.4
97.06541	9.3
97.10172	3.0
99.04440	2.8
99.08098	3.0
103.03912	2.2
103.05450	2.3
105.04532	2.1
105.07032	71.0
107.04955	28.6
107.08599	49.8
109.02879	2.2
109.06511	14.6
109.10158	51.9
111.04483	4.1
111.08074	12.5
113.05991	2.2
115.05473	2.9
117.07043	14.9
119.08573	22.5
121.06506	14.3
121.10166	18.1
123.04410	4.0
123.08081	9.3
123.11690	10.5
125.05940	3.3
127.07520	2.5
128.06235	2.7
129.07013	7.4
131.04929	2.3
131.08575	31.7
133.06491	21.3
133.10133	85.9
134.10541	2.1
135.08057	21.5
135.11700	10.3
137.09598	6.4
139.07520	5.7
142.07716	2.1
143.08578	9.8
145.06500	3.4
145.10133	13.9
147.08067	8.3
147.11679	9.0
149.09604	21.2
149.13240	2.7
151.11174	47.2
153.08994	2.5
155.08630	3.0
157.10104	6.0
159.08051	8.2
159.11728	6.1
161.09633	16.3
161.13232	5.2
163.07472	2.6
163.11208	4.1
165.09120	2.1
167.10699	2.1
169.10161	4.4
169.12280	5.8
171.11681	7.3
173.13303	3.9
175.11201	5.9
177.09201	12.1
177.12700	4.2
179.10701	2.7
185.13272	3.7
187.11214	2.9
189.12720	4.9
191.14166	2.3
193.12241	2.4
195.10103	3.1
199.11185	2.2
203.14330	2.4
207.13783	3.0
215.12704	3.0
217.12247	2.8
223.11171	2.8
223.34482	2.3
227.17978	3.5
237.16373	2.1
245.19006	11.4
251.12943	3.5
253.14316	25.5
255.17461	4.1
263.20200	11.6
269.13797	7.0
273.18503	39.4
291.19562	31.8
305.29367	2.5
347.22269	9.9
365.23285	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.7
53.03912	2.4
55.01875	6.5
55.05513	30.5
55.05756	1.8
57.03439	11.1
57.07055	0.8
59.04973	1.0
65.03912	1.2
67.05506	30.9
68.78077	0.8
69.03430	15.2
69.07069	40.8
69.07416	1.4
70.48331	1.9
71.04961	2.6
78.26003	0.8
79.05495	28.8
81.03417	8.4
81.07056	23.1
83.04990	3.9
83.08618	11.1
91.05480	15.4
93.06503	1.1
93.07040	18.5
95.01306	1.2
95.04959	10.1
95.08611	12.5
97.02892	17.4
97.06525	4.1
97.10173	17.9
99.08035	1.2
105.03353	0.8
105.06396	1.1
105.07029	11.1
107.04950	6.4
107.08596	15.8
109.02790	0.8
109.06465	3.1
109.07162	0.6
109.10161	10.9
111.04459	0.7
111.08076	3.5
115.05438	0.8
117.07005	7.5
119.04904	1.0
119.07816	1.0
119.08582	12.7
120.08916	0.8
121.06487	3.4
121.10172	6.0
123.08066	4.3
125.08799	1.0
125.09637	15.6
129.06966	2.3
131.07698	1.0
131.08571	8.3
133.06456	2.3
133.10132	7.4
135.04451	0.8
135.08035	5.1
135.11685	3.3
137.05978	0.9
137.09630	3.4
143.08498	3.1
145.10114	5.6
146.07410	0.8
147.08049	4.6
147.11630	3.2
149.09587	2.0
149.13182	2.3
151.11188	0.9
153.09059	1.7
153.12744	0.9
157.10130	2.4
159.08015	1.4
159.11647	2.9
161.09547	2.8
163.11122	1.9
165.09048	2.3
167.10501	0.7
169.10155	1.4
171.11646	1.7
173.11739	1.6
175.11176	2.2
175.14774	0.7
177.12733	2.0
179.10512	1.1
179.66014	0.7
185.13297	2.1
187.11209	0.9
189.11244	8.2
191.19611	0.7
195.13802	3.2
205.12245	3.1
223.13292	33.8
227.12807	1.4
227.95085	0.7
245.18895	2.2
249.14853	1.6
255.17459	1.4
263.19955	1.2
271.06229	1.8
273.18518	14.4
291.19537	100.0
292.19885	3.3
347.13052	1.0
347.22360	1.0
350.97260	0.9
365.23242	41.7
365.99731	1.1
366.23676	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08246	1.8
53.03941	7.4
55.01876	16.5
55.05509	36.1
57.03438	19.2
59.05008	1.8
63.63994	1.9
65.03925	4.1
67.05504	68.2
69.03432	19.1
69.07068	42.3
69.67464	11.6
71.04994	5.4
73.89605	1.7
79.05493	48.6
81.03410	10.7
81.07054	56.8
83.04988	13.9
83.08611	12.1
85.02891	2.2
85.06516	4.5
91.05478	47.3
92.89803	1.8
93.07039	46.5
95.01367	2.3
95.04961	16.4
95.08603	25.9
97.02888	15.0
97.06535	8.4
97.10174	17.8
105.07023	38.3
107.04954	16.2
107.08585	33.1
109.02870	2.8
109.06526	6.6
109.10168	26.3
111.04485	2.3
111.08100	6.1
114.63149	1.7
117.07010	14.8
119.08579	20.8
121.06519	8.1
121.10156	12.5
123.08081	7.2
123.11691	3.1
125.09633	11.9
128.06226	2.8
129.06992	6.9
131.04956	2.8
131.08578	23.3
133.06473	8.9
133.10127	37.1
135.08055	13.9
135.11636	9.2
137.09648	6.3
139.07489	2.1
143.08598	6.6
145.10170	9.0
147.08020	9.2
147.11719	6.3
149.09602	11.9
151.11203	20.9
155.08653	2.4
157.10153	5.6
159.08087	7.0
159.11754	6.9
161.09633	7.5
161.13301	2.3
163.11174	3.5
165.09175	2.8
166.11400	2.0
169.10114	2.2
169.12424	4.0
173.09676	3.0
175.11218	4.6
177.09149	6.1
177.12733	2.3
179.10757	2.3
183.11674	2.7
189.11256	5.2
189.12837	3.2
189.87744	1.9
193.12402	2.2
195.08138	2.1
199.14786	1.8
205.12241	3.0
213.22595	1.7
223.13290	29.2
227.17802	4.2
237.12711	2.9
237.16444	2.5
245.19133	7.4
253.14474	7.2
255.17502	4.1
263.20172	5.0
265.16031	2.4
269.13815	3.1
273.18494	36.0
280.18295	3.8
291.19540	100.0
291.22827	5.1
292.19855	3.1
347.22348	3.2
365.23334	76.4
366.23807	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01879	9.3
55.05512	10.8
57.03437	56.6
57.07062	1.5
60.13246	1.2
62.17018	1.2
65.03940	3.1
67.05506	50.6
69.03426	4.4
69.07063	15.0
69.33481	7.9
69.33896	3.2
70.06593	1.6
71.04987	5.3
79.05495	27.3
81.03403	4.2
81.07053	25.3
82.75981	1.4
83.04978	4.1
83.08618	4.3
84.08085	1.5
85.06544	36.0
91.05482	24.0
93.07042	25.1
95.04968	60.7
95.08602	17.7
97.02869	1.5
97.06520	4.7
97.10157	5.0
105.07027	17.1
107.04961	9.4
107.08595	14.1
109.06519	50.0
109.10143	7.0
111.08076	2.3
113.06004	100.0
114.06274	2.3
115.05458	1.4
117.07048	9.5
119.08555	13.6
121.06480	3.4
121.10130	6.0
123.08063	4.0
123.11695	2.1
125.09611	2.4
127.07549	2.2
128.06232	2.3
129.07001	5.4
131.08563	11.4
132.08928	1.2
133.06454	2.9
133.10141	7.8
135.08057	30.1
135.11667	6.8
141.06989	1.9
143.08551	6.0
145.10124	9.1
147.08083	3.9
147.11674	3.6
149.09621	4.3
149.13245	3.4
151.11192	1.4
151.87747	1.3
157.10114	5.3
159.08072	1.9
159.11734	6.3
161.09630	5.9
161.13223	1.7
163.11148	3.8
165.25697	1.3
171.11717	3.4
173.13268	3.2
175.11188	3.2
177.12791	3.3
183.11696	2.9
185.13162	1.9
187.11156	1.7
195.11647	1.3
199.11269	1.5
199.14772	2.7
201.12732	2.2
217.15903	13.5
219.13791	1.9
223.13220	3.2
227.18042	1.4
233.15312	2.9
245.18996	2.3
255.17442	2.8
273.18512	22.8
291.19543	44.3
292.20230	1.5
347.21863	1.7
365.23230	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
50.68689	1.1
51.02370	1.4
53.03939	4.4
55.01874	10.4
55.05511	15.6
57.03438	27.8
57.07055	2.1
64.48264	1.2
65.03931	3.5
67.05506	53.2
69.03415	4.4
69.07068	14.0
69.44419	8.1
70.06562	1.8
71.04990	5.1
79.05495	35.4
81.03413	5.3
81.07056	44.3
82.07388	1.3
83.04974	8.9
83.08630	7.5
84.08118	1.4
85.02907	2.1
85.06550	16.7
91.01712	1.4
91.03911	1.2
91.05486	41.1
91.82262	1.4
93.07048	37.0
95.04964	30.2
95.08607	19.5
97.02871	2.2
97.06540	6.3
97.10159	2.8
103.05491	1.7
105.03400	4.8
105.07030	34.6
107.04960	14.4
107.08595	26.1
109.02881	2.0
109.06516	25.6
109.10163	19.9
111.04436	4.7
111.08077	6.5
113.06009	33.4
115.05457	1.7
117.07014	10.5
119.04977	1.6
119.08582	16.5
120.05864	1.0
121.06513	8.3
121.10160	10.6
123.08052	7.0
123.11745	6.0
125.05983	1.4
125.09611	2.8
128.06184	3.3
129.06966	6.0
131.04849	1.3
131.08577	18.7
133.06490	6.6
133.09119	1.8
133.10135	33.2
135.08055	22.2
135.11688	6.3
137.05937	2.6
137.09601	3.3
139.07529	1.6
141.07030	1.4
142.07732	1.8
143.08536	7.8
145.06453	1.6
145.10144	10.1
147.04448	1.5
147.08051	5.8
147.11633	6.0
149.09599	10.2
149.13252	2.5
151.11192	17.1
151.94958	1.2
153.08975	1.1
155.08549	3.1
156.09294	1.6
157.10124	6.6
159.08051	4.1
159.11682	5.9
161.09624	11.4
161.13275	3.6
163.11208	4.9
164.28026	1.2
165.09117	2.0
167.97813	1.3
169.10072	2.1
169.12338	2.2
171.11731	4.6
173.09653	1.5
173.13097	2.3
175.03874	2.6
175.11192	4.2
175.14795	1.1
177.09081	4.0
177.12764	2.5
179.10725	2.4
181.10185	1.6
181.12343	1.8
183.11665	2.1
185.13234	3.0
187.11295	1.8
189.11197	1.6
191.10600	1.8
195.10052	1.6
195.11758	1.7
196.12363	1.3
197.13213	1.5
199.11201	1.9
199.14792	3.0
201.12738	1.6
215.10413	1.1
217.15845	6.2
223.13205	2.4
237.16417	1.5
245.04543	1.9
245.18991	5.8
253.14372	10.2
255.17375	3.1
263.20117	5.8
267.14124	1.4
269.13956	1.8
273.18497	28.8
273.21283	2.4
274.18869	2.3
291.19543	31.8
347.22144	4.2
365.10083	2.1
365.23071	100.0
366.23383	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	365.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23205	0.7
55.05498	2.2
57.03418	1.8
59.04993	2.5
61.02929	4.5
61.57311	0.7
69.03432	0.9
70.06591	28.2
70.30824	2.3
71.05000	4.6
75.99947	0.7
79.05482	3.3
81.04505	2.3
81.07053	12.5
82.05321	4.7
83.06087	2.9
85.02875	0.9
93.04520	1.4
95.06089	3.8
107.06089	1.9
110.07165	66.7
111.07516	1.1
114.36620	0.7
120.05618	1.2
121.04001	1.8
121.07625	2.4
125.07115	1.0
131.06041	1.5
132.05550	1.8
133.03989	0.8
133.07642	0.9
137.07103	1.6
138.06609	2.9
145.07613	0.9
147.05473	2.4
148.05043	3.2
149.07069	2.0
149.10844	0.8
153.06496	1.1
159.05565	1.6
161.10646	0.8
162.10252	11.4
163.12311	10.7
164.11841	0.9
166.06099	5.2
172.06300	2.0
173.10803	1.0
175.12305	1.7
176.06992	1.0
186.05470	1.1
186.09198	1.1
189.11305	0.9
190.09749	1.2
190.13388	7.8
192.14899	1.4
201.10220	24.7
202.10674	0.8
202.13481	1.8
203.11751	1.7
204.06584	2.1
204.10176	1.7
207.12369	3.9
208.14458	3.2
217.10886	4.2
218.12883	5.4
218.46660	0.7
235.11893	41.0
242.16698	1.1
245.10329	1.4
246.12561	1.2
260.17508	0.8
282.04813	0.8
287.18652	8.0
291.89539	0.8
315.18137	57.7
316.18542	1.4
333.19193	22.2
334.19571	0.9
365.21844	100.0
366.22150	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
55.01871	8.2
55.05516	33.1
57.03441	9.8
57.07074	0.9
59.04994	1.4
65.03935	1.7
67.05511	38.0
68.05856	1.2
69.03086	1.3
69.03435	14.5
69.07072	50.4
70.05669	2.9
70.06075	2.1
71.04984	2.3
71.08635	1.2
79.05498	32.3
81.03416	6.1
81.07059	26.6
83.04989	5.7
83.08623	11.8
91.05487	18.1
93.07050	20.3
95.04977	11.0
95.08618	15.7
97.02898	21.3
97.06537	4.2
97.10171	18.7
98.20834	1.6
103.05489	1.0
105.04569	1.2
105.07034	14.7
107.04976	9.5
107.08604	15.5
109.06515	4.0
109.10159	11.9
111.04446	1.4
111.08066	2.4
115.05435	1.6
117.07027	9.7
119.08588	15.9
121.06532	3.3
121.10126	7.2
123.08064	4.6
125.09633	13.8
128.06206	1.7
129.07028	3.1
131.08609	7.6
133.06490	3.1
133.10110	7.7
135.08052	6.0
135.11702	4.0
137.09621	5.3
143.08586	3.0
143.10704	1.1
145.10153	5.3
147.08054	5.3
147.11736	2.9
149.09627	2.2
149.13292	3.1
151.11206	1.7
153.09140	2.3
157.08800	1.0
157.10138	4.1
159.08063	1.3
159.11725	4.3
161.09639	4.4
161.13251	1.4
163.11198	2.2
165.09119	3.4
171.10255	1.5
171.11755	2.1
173.11867	1.4
175.11241	2.8
177.12764	1.6
179.10675	1.1
181.10155	1.2
185.13348	1.6
189.11243	8.6
189.12781	1.2
193.12277	1.1
195.13832	2.4
205.12329	4.3
221.11694	1.1
223.13298	37.5
224.13588	1.3
227.12848	1.5
245.19078	2.3
254.63199	1.1
255.17484	1.7
263.20059	2.2
265.49677	1.1
267.09122	1.2
273.18497	19.0
274.18970	1.1
285.10126	1.5
291.19553	100.0
292.20004	3.7
347.22073	2.0
365.23233	50.0
366.23618	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	365.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
55.01852	10.6
55.05520	18.3
55.93527	4.3
57.03423	10.9
57.07058	2.8
66.97205	2.3
67.05505	34.4
69.03405	8.6
69.07067	36.0
69.32696	24.6
70.95850	2.8
71.04987	3.8
72.93774	9.0
73.75033	2.6
74.35364	2.8
79.05486	31.9
81.03409	5.8
81.07053	27.5
83.04975	3.8
83.08591	10.4
85.06555	4.3
90.94811	5.8
91.05476	22.7
93.07062	26.2
95.04967	11.5
95.08605	14.7
97.02883	10.3
97.10165	9.8
104.42747	2.5
105.07034	17.5
107.04945	9.6
107.08592	12.7
109.06543	3.8
109.10136	11.5
117.06998	7.9
119.08598	18.3
121.06517	6.2
121.10114	9.6
123.04353	2.6
123.08058	9.4
123.11723	3.0
125.09607	7.8
128.06236	2.9
129.06999	3.8
131.08539	11.0
133.02852	4.4
133.06451	5.1
133.10115	8.3
135.04404	9.6
135.08067	6.5
137.05872	2.9
137.09547	3.7
143.08531	8.8
144.99416	3.7
145.06487	4.2
145.10100	6.9
145.83366	2.6
146.97414	2.8
147.04465	3.9
147.08023	10.0
147.11690	6.6
149.09584	5.3
151.11201	3.2
156.09343	2.8
157.10120	7.5
159.04369	2.7
159.11694	6.5
161.05974	3.4
161.09576	4.6
169.10036	3.3
171.11606	4.3
173.09560	6.4
175.07570	15.0
177.09181	2.6
185.09584	7.2
187.07599	3.5
189.09117	17.5
189.10873	3.3
189.12675	3.3
191.10612	2.9
201.09088	20.4
206.67413	2.9
213.09085	21.9
213.12567	2.7
215.10709	4.9
217.08516	4.8
219.10156	79.6
223.13338	12.6
227.10626	4.2
227.14328	4.6
229.12148	6.7
231.10149	10.4
233.11688	3.8
240.11531	4.5
243.03207	3.2
243.10112	3.6
245.04805	4.2
245.19048	5.7
255.10855	3.8
255.13786	54.4
256.14243	3.9
259.06247	15.9
261.11221	66.7
271.06241	11.7
273.14838	100.0
273.18414	16.8
274.15155	4.6
275.12717	5.0
291.16376	2.8
291.19522	50.5
293.13800	52.6
297.14899	15.0
315.15878	13.9
329.17496	56.4
330.17923	3.8
347.13000	33.2
347.18494	28.8
365.13837	16.3
365.23099	36.5
365.26996	6.8
365.33441	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	365.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.1
55.01868	13.6
55.05506	14.8
57.03430	5.1
61.02930	4.1
61.70845	2.4
65.03927	3.3
67.05502	13.1
68.99790	6.6
69.03431	59.0
69.07058	6.3
70.06564	3.5
71.04989	9.7
71.53494	4.1
73.02899	4.3
75.21121	2.3
79.05494	30.7
81.03418	35.1
81.07057	39.7
82.03699	1.9
83.04990	11.0
83.08664	3.0
83.46983	2.0
84.08146	5.0
85.02907	22.8
86.09724	5.4
87.00826	16.6
87.03063	2.3
87.04458	2.0
91.05484	36.0
93.07043	88.0
95.04964	21.8
95.08603	22.3
97.02879	18.2
97.06532	6.6
99.04427	5.3
99.16471	1.8
102.98898	2.1
103.03950	3.0
103.05459	2.8
105.04575	3.0
105.07035	74.5
107.04944	14.2
107.08595	100.0
109.02896	8.5
109.06519	12.4
109.10149	9.8
111.04461	9.7
112.95213	2.0
115.03934	5.4
115.05446	4.6
117.01842	3.2
117.07014	17.6
119.04964	7.9
119.08585	55.9
119.09367	4.5
121.06500	22.7
121.10136	18.7
123.04446	8.9
123.08052	14.6
123.11694	3.8
125.02362	3.4
127.03918	8.4
128.06213	8.7
129.01825	4.3
129.06982	14.5
130.07759	3.8
131.08560	32.7
133.06508	10.2
133.10130	45.1
135.04459	4.6
135.08049	13.0
135.11696	51.3
136.06198	22.3
137.05835	4.9
137.06653	5.1
137.09554	2.9
137.13397	2.8
141.07056	5.4
142.07790	9.7
143.08557	21.1
144.09338	4.3
145.04926	3.4
145.06471	10.7
145.10127	42.8
147.04370	3.4
147.08047	14.3
147.11693	38.7
149.05937	3.6
149.09642	10.1
149.13252	5.4
151.07545	4.9
151.11209	6.0
153.05478	3.5
155.08527	11.0
156.09369	5.4
157.10129	22.3
159.02917	6.9
159.08044	16.1
159.11710	22.6
161.06012	5.5
161.09639	14.3
161.13275	5.2
163.07564	5.7
163.11171	39.0
165.12776	10.8
167.07117	2.8
167.08604	6.0
168.09270	2.6
169.10143	8.2
171.08057	5.1
171.11658	11.1
172.08881	3.0
173.09641	12.3
173.13252	7.7
175.03972	6.2
175.07600	4.9
175.11208	27.3
176.11676	2.3
177.09148	3.8
177.12764	10.6
179.10721	2.7
182.10968	3.6
183.11783	6.3
185.09680	9.8
185.13237	4.3
187.07613	4.7
187.11118	12.6
187.14891	5.5
189.04044	2.7
189.12726	21.1
191.10664	3.2
191.14273	3.9
193.12245	16.9
195.11739	3.4
197.13286	10.4
199.11273	7.0
201.04047	2.9
201.09120	8.7
201.12715	14.9
203.07048	14.0
203.10803	6.1
203.14299	3.7
205.12297	5.6
207.11707	4.3
213.12828	3.5
215.14377	23.2
217.12259	8.2
219.13893	8.1
225.12737	13.0
230.15373	3.1
231.13927	6.8
233.15388	9.7
243.13806	62.7
243.16171	4.3
247.03113	2.4
261.14862	87.8
268.69351	2.0
271.06055	2.5
279.15973	7.5
297.10135	5.0
321.17114	5.3
329.13965	2.8
347.14810	41.8
347.18704	3.2
348.15240	3.2
365.06567	6.0
365.16034	86.9
365.20279	11.9
366.09912	3.7
366.16214	3.2
366.22751	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	365.1959
Annotation	Phorbol
Peak:m/z	Relative Intensity
55.01864	6.9
55.05502	7.4
57.03421	6.6
57.07060	2.9
59.05011	2.7
63.35826	3.0
67.05511	13.2
69.03433	3.2
69.07056	6.7
69.66476	9.7
69.66892	4.1
79.05496	12.7
81.07050	16.0
83.04996	3.2
91.05478	10.5
93.07026	11.9
95.04967	6.5
95.08600	9.1
97.06477	2.7
99.47058	2.4
105.07023	9.5
107.04932	4.8
107.08582	6.8
109.06552	3.1
109.10151	3.8
116.06175	3.0
117.07016	6.9
119.08577	5.3
121.06519	3.4
121.10132	3.6
131.08595	4.4
133.06480	3.0
133.10106	9.3
135.04424	4.5
135.08043	5.3
143.08568	4.8
145.10135	6.4
147.04425	3.4
147.08127	5.9
149.09656	3.1
151.11249	3.1
157.10030	2.8
159.07918	2.5
166.97299	2.7
170.50972	2.1
171.04459	4.1
171.11658	3.4
172.08875	3.0
173.09598	6.5
175.07507	14.3
185.09608	7.4
187.07652	2.8
189.09198	12.3
193.16809	2.5
196.27725	2.2
198.06644	2.8
201.09087	15.5
212.08287	3.9
212.15816	2.4
213.09145	23.1
215.10744	2.7
219.10162	50.4
227.10733	3.9
227.14250	7.9
229.12228	9.1
231.10236	7.3
233.11794	2.5
237.12823	2.4
240.11469	5.3
243.10156	5.1
245.19118	2.6
255.09996	4.8
255.13817	65.3
256.14163	5.4
261.11215	45.3
263.20422	2.9
269.15344	3.7
273.14853	100.0
273.18219	7.6
274.15170	5.7
287.12552	3.1
291.19501	5.9
293.13803	33.0
297.14941	15.5
298.15359	3.8
315.15826	13.2
316.16211	2.3
329.17444	54.8
330.17691	6.3
347.18506	31.3
365.19357	4.3
365.23373	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	365.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.5
55.01866	11.4
55.05511	15.2
57.03430	9.2
60.04520	4.7
61.02918	7.6
61.03196	2.6
65.03932	4.0
66.94138	2.5
67.05504	18.9
68.99775	10.4
69.03427	59.7
69.07063	6.4
70.06585	5.2
71.04975	6.5
71.53986	3.7
72.08141	5.0
73.02901	2.8
73.53482	2.3
75.21831	2.4
77.53567	2.4
79.05489	29.8
81.03416	41.7
81.07055	44.9
83.04989	14.0
85.02902	26.8
85.06543	3.0
86.09702	4.2
87.00826	17.5
91.05473	40.9
93.03382	3.6
93.07040	92.5
93.07639	4.4
94.07423	2.9
95.04967	18.9
95.08602	23.0
97.02879	19.9
97.06529	8.7
99.04449	7.0
100.77975	2.3
103.03948	3.1
103.05418	5.0
105.01874	4.5
105.07024	78.6
107.04960	12.8
107.08586	100.0
109.02875	5.8
109.06532	15.4
109.10139	11.0
111.04449	10.3
115.03924	5.6
115.05435	4.6
117.07011	20.4
119.04932	11.7
119.08585	57.8
120.08875	3.7
121.02901	5.3
121.06510	23.9
121.10118	17.1
123.04440	8.1
123.08112	13.2
123.11681	4.2
125.05959	3.5
127.03872	8.3
128.06253	9.1
129.01874	5.2
129.06979	17.4
130.07755	3.8
131.08545	30.0
131.10675	2.8
133.06465	10.2
133.10121	40.9
135.04446	6.3
135.08089	16.3
135.11678	49.9
136.06160	16.9
137.05881	5.8
141.06992	7.0
142.07753	8.4
143.08571	18.7
144.09312	3.2
145.06491	9.3
145.10118	50.2
147.04393	3.6
147.08063	19.0
147.11682	37.6
149.05981	3.7
149.09621	12.8
149.13249	5.1
151.07564	5.7
151.11147	6.3
155.08586	14.0
156.09358	7.9
157.10121	23.2
158.10880	3.7
159.02957	3.7
159.08022	14.5
159.11694	20.6
161.06044	4.4
161.09619	16.8
161.13255	6.3
163.07556	7.2
163.11172	35.5
165.12784	10.9
167.07141	3.4
167.08505	3.9
169.06416	2.6
169.10133	10.6
171.08057	4.3
171.11633	12.9
173.09604	15.8
173.13188	9.0
175.03922	10.0
175.07552	4.6
175.11183	29.7
177.09106	5.0
177.12775	8.9
182.11011	4.1
183.08096	4.7
183.11696	11.5
185.09610	8.2
187.07484	3.4
187.11169	11.1
187.14793	6.4
189.12747	25.7
191.10683	4.9
192.09296	4.6
193.12282	15.2
197.13269	14.0
199.11179	6.5
201.09024	6.7
201.12733	15.8
203.07059	16.9
203.10693	4.5
205.12346	4.0
213.12704	5.4
215.10815	3.4
215.14336	24.9
217.12198	6.1
219.13797	8.6
225.12648	14.0
231.13800	3.9
233.15538	5.3
243.13795	52.0
261.14853	87.1
279.15860	5.2
292.18985	3.1
321.16895	3.9
347.14828	47.9
365.16061	81.2
365.20438	8.2
366.22849	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21898	0.7
51.44881	0.7
60.04509	1.6
69.07047	1.1
70.06593	1.8
71.17768	0.9
71.18085	0.9
72.08144	0.9
81.03403	1.0
81.96740	0.6
84.08141	1.0
86.09692	0.9
91.05454	1.1
91.59505	0.7
97.02910	1.0
105.03403	1.6
108.04491	1.3
120.08162	1.3
122.06023	2.0
124.03954	1.7
128.03024	0.7
134.06100	1.0
138.05482	2.3
140.07051	2.4
144.08162	1.3
148.03911	1.4
148.06535	0.8
148.07573	4.4
159.09300	0.7
160.07561	0.8
166.04977	5.1
168.06602	1.7
169.16180	0.8
171.09207	1.7
172.07593	2.5
172.09982	0.8
174.09164	2.6
175.07300	1.1
175.08644	6.4
176.07071	7.7
176.09381	1.0
185.10732	0.9
186.05536	1.1
186.09154	1.0
188.07202	0.9
189.10239	3.1
190.08636	2.3
191.08031	0.9
196.07454	1.6
196.29555	0.7
198.07655	1.4
198.09245	1.1
199.08690	6.7
200.07130	3.9
200.08844	0.8
202.07076	0.9
202.08675	2.6
203.08170	17.7
204.06598	2.1
204.08652	1.2
207.11212	0.9
213.10229	3.3
214.08640	2.0
216.10150	1.4
217.06325	1.2
217.09776	16.1
218.08177	1.6
224.07045	1.7
227.08156	16.7
228.06572	2.4
229.09674	1.9
230.08218	1.0
231.07567	1.1
231.11205	1.1
235.10768	3.0
241.09760	7.0
242.08104	4.7
242.10211	1.0
244.09758	1.4
245.09233	49.8
246.07646	2.4
246.09795	1.8
246.73572	0.9
247.10730	3.1
250.07079	0.9
259.10788	12.7
263.10284	29.3
264.10657	1.6
269.09082	3.6
270.07669	1.3
272.09085	1.2
273.08640	3.9
277.11697	1.2
279.63690	0.8
287.10260	19.2
289.11890	2.6
291.09802	9.0
305.11313	86.6
306.11572	5.1
312.24899	0.7
315.09793	4.5
323.12369	34.5
324.12714	1.9
333.10794	18.1
334.10992	1.1
347.26578	0.8
365.13428	100.0
366.13672	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	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44198	0.2
66.23236	0.3
70.02299	1.2
70.02660	0.5
85.13047	0.2
98.21418	0.4
101.00822	0.3
112.89653	0.3
119.01893	0.5
131.01947	0.6
143.01958	0.3
148.83514	0.3
151.14354	0.2
155.01897	0.3
161.03008	0.5
173.02980	0.7
185.04231	20.7
203.05270	41.9
244.07932	0.4
244.10393	0.3
245.05072	2.6
263.06223	0.5
365.10583	100.0
366.10959	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63472	0.9
55.01851	1.1
59.74298	1.1
60.04519	5.4
61.04863	1.0
62.67101	0.9
67.05490	1.8
67.55695	1.0
69.03425	1.6
69.78761	5.9
70.06582	2.6
72.08133	2.9
81.07055	1.5
84.08124	2.3
85.39488	1.0
85.94836	1.0
86.09718	1.8
87.25591	1.1
91.05467	1.4
95.04948	2.2
97.02848	2.1
98.06052	1.2
105.06992	2.2
106.96115	1.1
109.54204	1.1
118.08679	1.1
119.08635	1.2
120.08086	3.4
121.06359	1.2
122.06023	3.5
128.06236	1.2
130.06534	1.5
138.05518	1.7
138.09056	1.3
140.07053	2.1
144.10156	4.3
146.09653	1.0
148.03880	1.3
148.07550	5.8
151.28281	1.1
160.07481	1.6
164.07089	1.6
166.04976	5.1
168.06590	3.5
171.09218	1.7
172.07579	4.0
174.09123	2.9
175.08662	6.4
176.07086	11.6
186.05547	1.5
186.09116	1.3
189.06667	1.5
189.10208	4.5
190.08678	2.5
194.08118	1.5
196.07581	1.2
198.07576	1.5
199.08653	8.9
200.07079	4.9
202.08731	2.3
203.08191	18.4
204.06596	1.3
204.08714	1.4
209.18015	1.2
213.10114	5.4
214.08586	3.8
217.09773	16.7
218.08098	2.1
219.11273	1.5
224.07056	1.8
227.08165	17.7
228.06532	3.1
229.09721	2.6
230.08089	1.1
235.10783	4.3
241.09792	8.2
242.08092	5.4
243.13905	1.4
245.09233	50.4
246.07524	1.8
246.09749	1.9
247.10791	2.0
250.07053	2.3
259.10797	14.6
260.09177	1.8
263.10269	26.6
269.09219	4.2
270.07654	2.2
273.08682	5.1
276.76791	1.1
277.11838	1.6
287.10223	23.6
289.11810	2.9
291.09689	7.5
297.08527	1.7
305.11310	89.7
306.11627	3.8
315.09656	4.6
323.12354	25.0
326.95981	1.1
333.10767	17.3
347.26385	1.6
365.13419	100.0
365.27097	2.7
366.13843	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	365.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48586	0.4
53.03953	0.4
53.82182	0.4
55.05505	0.6
56.05034	1.4
56.96564	19.4
57.03424	0.6
58.06606	0.8
60.04520	1.0
61.02939	0.5
65.03035	0.4
66.51391	0.4
69.03429	1.5
69.07082	0.4
70.06596	5.4
71.50991	0.5
71.95273	1.0
72.08170	3.7
74.06078	1.3
74.97617	1.0
81.03419	0.7
84.04510	1.2
84.08135	5.4
84.96039	1.3
85.02898	2.6
86.09695	1.5
91.05475	0.8
92.05386	0.4
93.07092	0.4
95.04955	0.8
97.02894	1.6
98.24329	0.4
98.97584	35.9
102.96882	0.5
105.03376	1.4
109.06493	0.5
110.07161	1.5
110.97561	2.4
112.08762	0.5
112.99094	0.6
115.08708	0.5
116.07048	0.7
116.98626	20.6
119.01896	1.5
119.04911	0.5
119.08611	0.8
120.08099	0.7
124.99091	7.2
124.99930	0.4
127.03897	0.9
128.07091	0.8
128.98604	3.2
129.10266	2.4
130.06540	1.2
131.00183	0.8
131.01930	1.0
133.01714	0.6
133.03452	0.6
134.99666	7.7
135.08151	0.4
136.07631	0.6
137.02956	1.0
138.05563	0.5
139.08665	0.4
140.00191	0.9
140.16769	0.4
141.06580	0.4
142.90434	0.4
143.00156	39.1
143.05525	0.5
145.03494	0.6
146.99634	2.5
147.04294	0.6
149.01207	1.0
152.05713	1.6
153.00713	0.7
158.01208	0.5
158.99664	6.5
159.03305	3.0
160.07578	0.9
161.01222	100.0
161.06526	2.3
162.01617	1.1
163.02791	0.6
165.00714	0.9
166.01785	1.1
167.04129	0.9
167.05452	0.8
169.07115	1.0
170.99689	1.7
172.94360	0.7
173.02977	0.8
173.06657	0.7
175.02768	0.9
175.08405	0.4
177.00714	11.7
177.04309	4.7
177.05638	0.5
177.12729	0.7
179.02281	37.9
179.07631	0.9
184.02835	3.3
185.01201	17.7
185.06642	1.3
187.00470	0.5
187.08185	2.8
189.00746	1.7
189.05977	0.6
190.95473	0.7
191.02277	0.7
192.03674	1.1
192.46114	0.4
195.01697	1.5
195.03441	0.4
195.05382	1.5
195.08620	0.8
197.03441	0.5
197.06622	0.8
199.08203	0.7
200.02324	0.6
201.04460	2.1
201.09804	0.5
202.03807	0.8
203.02275	94.5
203.07405	2.4
203.11769	0.8
204.02635	2.2
210.04727	9.9
211.08023	0.4
213.09698	1.8
215.02274	1.8
215.07646	3.7
217.03720	0.5
217.05704	0.6
219.01791	4.6
219.05301	3.9
219.13359	0.8
221.03311	23.6
226.03947	6.0
227.02228	0.6
227.11479	0.6
228.05745	2.0
232.96417	0.5
233.03377	4.6
234.02638	0.5
234.04744	6.2
235.11815	1.6
237.02832	4.7
239.04405	1.6
239.07692	1.6
241.05762	0.4
244.05022	1.0
245.03339	29.4
246.03783	1.0
250.97496	0.5
251.04398	1.0
251.11122	0.4
252.05753	13.9
253.12868	10.6
255.03864	0.5
259.05127	0.7
261.09637	0.6
263.04391	26.8
270.06769	1.0
271.13910	1.9
275.04364	1.4
275.07367	1.0
277.12872	1.1
279.04251	0.8
279.07523	4.8
279.10818	1.2
281.05499	1.9
286.05902	2.9
295.07245	0.6
295.13995	3.2
297.08670	0.8
297.11789	6.6
298.12167	0.6
305.05438	10.4
305.10803	7.0
306.05798	0.5
315.12985	4.3
321.08704	2.1
321.11835	0.5
322.96002	0.5
323.06540	16.1
323.10846	1.1
323.12057	1.0
324.06842	0.7
339.12988	1.1
341.07556	7.4
346.08142	1.8
347.06360	0.9
364.72552	0.6
365.07370	6.5
365.12244	1.2
365.17490	1.2
373.61877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2692
Annotation	Broussonetine S
Peak:m/z	Relative Intensity
55.01884	1.4
55.05505	2.0
55.98659	0.6
56.05023	2.5
57.03445	1.2
60.04525	100.0
61.04867	0.9
67.05500	8.4
68.05027	1.1
69.07082	3.1
69.59039	3.6
70.06596	1.8
71.04980	0.8
72.04520	5.2
74.06087	1.5
79.05494	8.4
80.05032	1.4
81.03402	1.5
81.07054	13.9
82.06587	1.5
83.04978	1.1
85.06553	2.1
90.05578	2.1
91.05483	8.0
93.07040	7.9
94.06579	1.4
95.05003	2.0
95.08614	6.4
96.08141	0.8
97.06549	0.8
98.06030	0.7
99.08120	4.6
102.05547	1.1
105.07035	5.3
107.08606	3.2
109.10168	1.8
110.06104	0.8
111.08129	0.9
112.07690	0.8
116.07113	1.3
117.07040	2.7
119.08575	3.8
121.10182	3.0
122.09631	0.6
123.11776	1.2
124.07527	0.7
129.07019	1.3
131.08553	3.4
133.10162	2.5
134.09689	1.1
135.11708	1.4
137.09708	0.7
141.07048	0.7
142.08655	0.8
143.08624	1.7
145.10167	2.6
147.11743	1.8
149.13234	0.7
157.10197	0.8
159.11707	1.1
161.09648	0.9
161.13356	0.7
202.08975	0.7
202.10707	1.4
212.16606	0.7
215.18103	0.8
239.39246	0.7
274.21713	1.2
292.22839	2.0
310.23770	5.1
320.50137	0.8
328.24817	12.7
328.28479	1.1
329.25336	1.2
332.78366	0.7
346.25882	72.8
347.26257	4.2
364.27026	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	364.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72440	4.2
66.55058	5.1
67.05501	10.9
69.07065	15.7
71.52511	7.4
83.87051	4.4
93.07027	9.1
95.01341	9.5
95.04971	18.2
131.08612	5.8
132.30103	4.3
147.04453	6.2
171.08026	6.5
175.03926	100.0
185.09586	5.1
187.03946	7.7
213.09183	10.8
229.08548	29.3
247.09669	71.0
255.13756	22.7
273.12161	5.8
273.14893	11.5
273.87582	5.3
278.67224	4.5
297.14795	7.3
306.65866	4.2
319.92120	4.4
329.17429	15.3
348.98071	4.7
364.11935	15.9
364.19485	44.8
365.13843	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	364.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80127	0.3
55.05500	1.0
57.03418	0.4
60.04523	0.5
64.01492	0.3
67.05502	1.4
69.03407	0.8
69.07041	0.5
70.06585	0.6
71.04996	0.3
71.52222	0.4
79.05497	1.2
81.03410	4.0
81.07071	1.5
83.04971	0.7
83.08614	0.9
85.02904	0.8
91.05466	1.9
93.07024	1.1
94.04066	0.5
95.04952	1.3
95.08597	0.9
95.58425	0.3
95.83048	0.3
97.02898	0.3
97.06570	0.5
97.10154	0.3
102.56287	0.3
105.07028	1.5
107.04942	0.5
107.08578	0.3
109.05019	0.2
109.06514	0.6
109.10163	0.3
111.08077	0.5
119.03563	1.2
119.08582	0.8
120.08097	0.3
121.06409	0.2
121.10128	0.5
122.06084	0.3
124.07635	0.4
129.07005	0.4
131.08540	0.6
133.10103	0.4
136.06186	100.0
137.04570	0.9
137.06517	1.1
147.11685	0.7
149.09607	0.3
152.05699	0.3
157.10071	0.6
174.07761	1.2
175.11249	0.7
177.00893	0.3
193.12263	1.6
211.13313	2.7
274.58054	0.4
310.16418	0.4
328.17581	0.4
346.15167	0.3
346.18936	2.1
364.19788	36.1
365.19986	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05025	17.1
51.89376	14.4
53.33681	14.2
55.05509	31.6
57.03442	18.7
57.95740	14.9
60.04538	18.8
60.73041	16.4
66.07632	13.8
67.05485	45.4
69.03419	25.1
69.07068	21.4
69.94032	55.4
69.94440	19.5
70.06577	40.2
71.05007	17.8
72.08135	20.0
79.05495	29.5
81.03406	22.7
81.07039	34.8
83.04975	25.4
84.08146	20.9
85.06546	21.3
86.09706	18.7
91.05494	39.1
93.07072	41.3
95.08606	20.2
98.20789	22.3
105.03369	29.5
105.07044	28.4
107.04952	30.0
107.08613	26.3
107.39644	17.2
109.06517	18.0
109.10153	40.2
119.08614	25.8
121.02872	17.3
121.72973	15.0
129.07019	19.2
147.04482	31.0
173.09622	16.8
173.69365	14.1
175.03918	100.0
187.03876	41.2
203.03360	28.7
203.07056	63.9
241.08652	18.3
241.85353	19.4
245.08128	58.1
264.56802	18.2
272.83691	15.4
287.12830	40.6
300.80139	16.5
319.10419	15.1
329.13809	31.2
364.21716	21.0
365.10165	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2681
Annotation	3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one
Peak:m/z	Relative Intensity
53.84493	0.8
55.05503	6.0
67.05508	10.4
69.03439	1.2
69.07060	7.8
69.78379	5.5
79.05492	11.3
81.07060	14.3
83.08622	2.0
91.05484	15.4
93.06487	1.2
93.07040	16.8
95.04962	2.3
95.08606	22.5
97.10181	1.9
105.07036	19.4
107.08586	12.8
109.10156	15.5
111.11693	1.9
115.05438	1.7
117.07008	11.4
119.08582	25.5
121.06494	1.0
121.10147	10.7
123.11712	4.2
128.06223	2.8
129.06999	7.0
131.08562	19.7
133.10126	16.4
135.08015	0.8
135.11687	9.7
137.13266	2.3
141.06985	2.8
142.07780	2.4
143.08556	9.3
144.09366	1.2
145.06514	0.9
145.10123	17.7
147.08034	1.2
147.11696	17.6
149.13243	3.0
153.06976	1.1
155.08553	8.3
156.09329	1.9
157.10133	11.1
158.10866	1.3
159.11678	15.1
161.09567	5.2
161.13251	6.8
163.11151	1.3
165.07018	1.2
167.08574	3.2
168.09248	1.4
169.10104	6.6
170.10881	2.0
170.20003	0.9
171.11697	11.1
173.09636	3.2
173.13260	8.3
175.11235	2.8
175.14882	4.7
177.12747	1.1
179.08545	2.0
180.09296	1.5
181.10130	6.6
182.10913	1.7
183.11694	9.1
185.13263	7.6
187.11191	1.9
187.14824	10.7
189.12694	1.6
189.16396	4.9
191.08722	1.3
192.09380	1.4
193.10104	3.0
195.11635	4.3
197.13280	7.4
198.13879	1.0
199.11342	0.9
199.14790	6.4
201.12717	1.7
201.16380	7.6
203.14258	1.1
204.44020	0.9
205.10112	2.1
207.11717	4.0
208.12463	1.2
209.13287	6.2
211.14804	7.4
213.16342	3.3
215.14461	1.5
215.17947	2.2
219.11700	2.1
219.40387	0.9
221.13271	4.1
223.14880	6.0
225.12688	2.4
225.16415	3.7
227.14316	3.6
227.17953	2.1
231.11746	1.2
233.13307	1.7
235.14772	4.3
237.16545	4.2
239.14365	1.1
239.17963	2.5
241.15897	2.3
241.19606	1.8
247.14771	1.5
249.16373	3.8
251.17923	2.4
253.15865	5.3
255.17453	3.2
261.16467	1.5
263.18027	2.9
265.19611	1.7
267.17432	5.8
267.19867	0.9
275.17941	2.4
277.19485	2.3
279.17422	3.9
279.20731	1.3
281.19144	2.2
289.19479	2.5
291.21103	1.7
293.19031	4.6
305.22559	1.6
307.20541	3.5
315.21216	1.2
317.22623	1.5
319.24216	15.5
320.21240	1.4
320.24738	1.9
321.22162	1.4
321.25717	2.1
345.25708	7.0
348.24356	1.8
363.26810	100.0
364.27243	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	363.268
Annotation	3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one
Peak:m/z	Relative Intensity
55.05508	5.9
55.96625	1.0
57.07059	2.3
67.05500	7.7
69.03410	1.5
69.07069	8.9
70.04666	2.8
71.08603	0.9
74.00670	1.4
79.05494	8.8
81.03407	3.2
81.07054	13.7
83.04960	1.1
83.08592	2.8
89.06030	0.7
91.05477	14.1
93.07038	16.5
95.04959	3.9
95.08601	22.4
97.10146	1.1
102.14122	0.8
103.05455	1.4
105.06310	1.1
105.07025	20.8
107.04951	0.9
107.08592	16.8
109.06515	2.4
109.10155	16.6
109.10867	0.7
111.11708	1.5
115.05452	1.8
117.07026	9.8
119.08583	25.2
121.06514	2.3
121.10143	9.3
123.11683	4.1
128.06177	2.5
129.06989	6.6
130.07745	1.0
131.08560	14.7
131.77594	0.8
132.59398	0.8
133.10121	17.8
135.08009	1.2
135.11699	7.4
137.09599	0.8
137.13263	1.8
141.06979	2.3
142.07744	3.6
143.08562	10.3
145.09050	1.6
145.10123	16.4
147.08028	2.6
147.11685	15.1
149.13278	4.0
153.06966	1.3
155.08563	7.3
156.09317	1.2
157.10129	11.3
158.10864	1.1
159.08049	1.9
159.11702	13.1
161.09621	5.3
161.13248	6.5
163.14832	2.3
166.07718	1.0
167.08553	2.8
168.09373	1.5
169.10129	7.0
170.10942	1.2
171.11691	10.8
173.09668	6.6
173.13260	11.6
175.11195	2.6
175.14778	7.0
179.08522	2.0
181.10110	6.2
182.10837	1.8
183.11702	7.2
185.09642	1.8
185.13231	8.2
187.11171	2.6
187.14824	7.4
189.12869	1.2
189.16440	4.3
192.09334	0.9
193.10117	2.0
194.10828	0.9
195.11679	5.4
196.12489	1.7
197.13231	6.1
198.13924	1.3
199.11249	1.0
199.14838	8.0
201.12688	1.9
201.16382	7.3
203.17957	2.1
207.11690	3.7
209.13208	4.5
210.13893	1.3
211.14763	6.1
213.16425	3.1
215.14366	1.5
215.17926	1.6
219.11647	1.2
220.12428	1.1
221.13242	3.6
223.14824	4.8
225.12749	2.8
225.16270	4.1
227.14258	5.6
227.17969	2.5
233.13225	1.7
234.14064	1.3
235.14778	4.1
237.16373	3.0
239.14328	1.8
239.17969	4.1
241.15837	2.5
241.19496	2.5
243.12036	2.3
247.14816	2.1
249.16362	5.1
251.17906	2.5
253.15825	3.8
253.19235	0.9
254.69409	1.1
255.17346	3.9
255.21115	1.3
261.16379	1.9
263.17947	2.9
265.15817	1.8
265.19641	1.3
267.17477	5.8
269.18933	1.1
273.13120	4.8
275.17990	2.7
277.19272	1.9
279.17380	3.3
281.18967	1.6
289.19382	1.9
291.21075	1.2
293.18970	5.4
293.22244	1.6
305.22540	1.5
307.20541	3.3
319.24188	12.5
320.24890	1.1
321.22287	1.9
321.25763	2.0
333.22153	1.1
335.23575	1.0
335.27429	1.6
345.25653	8.4
348.24380	2.4
363.26810	100.0
364.27029	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	363.2679
Annotation	3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one
Peak:m/z	Relative Intensity
53.03947	1.0
55.05523	4.9
58.56160	0.8
58.68984	0.7
60.37831	0.7
62.60202	0.7
63.11621	0.9
67.05505	6.3
69.07069	7.1
69.86898	2.3
69.87303	2.0
71.08644	0.9
79.05502	6.3
81.03417	1.8
81.07058	11.0
83.08597	2.1
91.05486	12.9
93.07041	13.6
95.04943	2.8
95.08606	16.9
96.53975	0.7
103.05450	0.8
104.21528	0.8
105.07036	16.0
107.04984	0.9
107.08588	12.1
109.06493	1.4
109.10155	11.9
111.11723	1.3
115.05543	0.9
117.07025	8.4
119.08574	23.2
121.06498	1.9
121.10149	9.3
123.08041	1.0
123.11680	2.9
128.06201	1.6
129.06961	6.0
130.07755	1.6
131.08575	14.6
133.10133	16.6
135.08011	1.8
135.11702	6.1
137.13261	1.8
141.06985	2.3
142.07748	1.0
143.08559	9.6
144.09370	1.4
145.10123	15.5
147.08063	1.6
147.11690	13.3
149.13268	1.5
153.07011	2.0
155.08507	4.5
156.09286	1.5
157.10103	9.2
158.10867	0.9
159.08070	1.6
159.11682	11.3
161.09593	3.7
161.13245	6.7
163.11218	1.0
163.14803	2.5
165.07014	0.9
166.07680	0.9
167.08554	2.0
167.77049	0.9
168.09261	1.0
169.10121	6.2
170.10814	1.8
171.11765	6.3
172.12373	0.8
173.09616	3.5
173.13284	8.5
175.11212	3.3
175.14816	5.6
178.07808	0.9
179.08543	1.2
181.10141	5.6
181.81424	0.7
182.10912	1.6
183.11688	8.6
184.12292	1.0
185.09650	1.1
185.13257	6.9
187.11160	2.6
187.14803	8.6
189.05333	0.9
189.12857	1.0
189.16328	3.8
193.10118	2.8
195.11729	4.9
196.12511	1.1
197.13251	6.2
199.14833	6.4
201.12817	1.0
201.16405	6.7
203.14374	0.9
203.18001	1.6
206.10835	1.0
207.11655	3.4
209.13243	4.6
211.14719	5.2
213.12753	1.0
213.16391	3.1
215.14297	1.0
219.11829	1.2
221.13237	2.9
222.13966	1.3
223.14801	5.1
225.12793	2.7
225.16313	3.6
226.16879	0.9
227.14322	4.0
227.17946	2.4
229.15872	1.1
233.13193	1.3
234.13933	1.0
235.14853	2.9
237.16429	4.6
237.18611	1.0
239.14342	1.6
239.17972	2.8
241.15863	3.1
241.19524	3.1
247.14874	1.4
249.16394	3.6
251.18033	2.8
252.18765	0.8
253.15884	3.3
253.19487	1.2
255.17567	4.3
261.16425	1.8
263.18011	2.1
265.16125	2.0
265.19446	1.3
267.17441	3.2
271.20316	0.8
272.88831	0.9
275.17923	2.7
277.19693	1.5
279.17471	3.2
279.20868	1.0
289.19476	1.6
291.21017	1.5
293.19000	4.7
293.22229	1.3
305.22650	0.8
307.20630	3.6
311.94345	1.0
319.20807	1.1
319.24228	14.3
320.24869	1.2
321.22095	2.0
321.25705	1.5
333.22223	1.4
335.27313	0.8
345.25745	7.4
346.25864	0.8
348.24359	2.2
363.26816	100.0
364.27200	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	363.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01850	1.4
55.05508	6.2
57.07071	1.5
61.80551	0.7
62.55827	0.7
67.05512	10.6
69.03431	0.9
69.07071	9.0
71.08632	0.9
71.53682	1.5
79.05492	7.8
81.03428	2.0
81.07059	13.6
83.04991	2.4
83.08614	2.7
85.06552	1.1
91.05479	12.3
93.07037	15.4
95.04977	3.9
95.08601	20.4
97.10175	1.5
103.05512	1.0
105.07026	17.8
105.07700	1.6
107.04951	1.1
107.08592	13.2
109.06570	1.2
109.10155	12.6
111.11719	2.0
115.05457	1.5
117.07020	9.2
119.08577	23.6
121.06490	0.9
121.10128	11.6
123.08099	1.5
123.11684	4.1
127.03948	1.0
128.06204	3.1
129.07014	6.6
129.47246	0.8
130.07774	0.9
131.08569	18.2
133.06497	0.8
133.10132	16.0
135.08066	2.1
135.11682	8.7
137.13281	2.2
141.07001	2.3
142.07756	2.9
143.08571	9.8
144.09326	1.7
145.10118	17.7
146.10533	0.8
147.08061	1.0
147.11685	18.7
148.11992	1.0
149.13272	2.9
153.06940	1.4
155.08517	6.1
156.09311	1.6
157.10129	10.7
158.10907	1.0
159.11674	11.0
161.09608	3.7
161.13245	8.4
163.11238	0.8
163.14836	1.8
165.07028	1.3
166.07823	0.9
167.08563	3.0
168.09340	1.9
169.10178	7.6
170.10873	1.4
171.08041	1.3
171.11684	9.1
173.09645	2.8
173.13248	10.5
175.11227	2.4
175.14807	5.6
179.08595	1.8
181.10126	7.9
182.10840	1.6
183.11697	9.0
184.12537	1.0
185.09622	0.9
185.13248	8.5
186.13945	0.9
187.11180	2.9
187.14803	9.3
189.12805	1.2
189.16356	6.0
191.10609	1.2
192.09366	1.1
193.10092	3.3
195.11710	6.6
197.13228	6.8
199.14841	6.3
201.12682	1.6
201.16417	8.6
203.14247	1.3
203.17973	1.0
206.10934	1.0
207.11638	3.9
208.12575	0.8
209.13258	4.5
210.13881	1.0
211.14795	6.6
213.16396	3.3
215.14484	1.2
217.15886	1.0
218.10919	1.1
219.11685	1.8
220.12383	0.9
221.13281	4.1
223.14859	5.5
225.12732	3.5
225.16341	4.1
227.14276	5.4
227.17920	2.7
233.13371	1.8
235.14841	3.8
236.15544	0.8
237.16344	4.1
238.16986	1.1
239.14285	0.9
239.17978	2.3
241.15979	1.4
241.19493	2.0
247.14732	2.7
249.16476	3.8
251.17975	2.5
253.15912	3.4
255.17477	3.2
261.16467	1.8
263.17941	3.7
265.19485	1.5
267.17426	6.7
275.17920	1.6
277.19492	2.4
279.17633	4.5
279.20209	0.9
281.18851	1.4
289.19562	1.2
291.21152	1.9
293.18973	6.1
295.20541	1.2
303.21042	1.9
307.20590	3.4
317.22751	1.0
319.24176	17.0
320.24777	1.6
321.22232	1.8
321.25665	2.1
333.22202	1.8
335.23465	1.3
335.27148	1.7
345.25735	6.9
348.24612	1.6
352.10986	0.8
363.26810	100.0
364.27206	8.1
367.72275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01877	4.1
55.05510	25.9
57.03441	7.4
58.84013	0.5
63.00539	0.5
65.03933	1.3
67.05504	16.9
69.03428	2.2
69.07076	4.9
70.06577	0.6
70.27943	1.1
70.28326	1.2
71.04983	0.9
75.84454	0.5
79.05489	18.5
81.03413	0.7
81.07056	13.7
83.04964	3.1
83.08621	9.9
85.02885	0.6
85.06541	1.3
91.05474	15.2
91.06021	1.1
93.07037	8.7
95.04948	1.5
95.08592	3.5
97.06523	0.9
97.10168	19.0
99.04419	0.6
103.05452	1.1
104.06225	0.8
105.07037	5.5
107.04937	1.2
107.08590	11.8
109.06521	1.9
109.10168	5.1
111.08073	3.2
115.05457	1.5
116.06203	0.6
117.07018	12.1
119.08578	100.0
120.08914	2.0
121.10143	2.6
123.08099	0.7
125.09619	15.9
128.06177	1.5
129.05458	1.6
129.07007	4.4
131.04948	1.0
131.08577	3.9
133.06487	5.6
133.10139	2.9
135.08051	13.6
135.09019	1.1
137.09604	2.1
141.06966	1.7
143.08582	2.6
143.10683	0.9
144.05695	1.7
145.06493	2.1
145.10109	7.3
147.08043	8.2
147.11700	0.6
148.23257	0.6
149.02325	0.6
149.05942	0.7
149.09650	0.9
153.09128	1.7
155.08562	1.5
157.08772	1.1
157.10121	8.2
159.08047	47.8
159.11620	3.1
160.08427	1.9
161.09587	4.0
163.07568	1.1
169.10149	7.1
171.10173	1.7
171.11699	1.4
173.09624	8.8
173.13321	1.0
175.07588	1.7
175.11209	1.2
179.08562	0.7
179.92035	0.6
183.11684	1.7
185.09612	1.8
187.11234	1.6
189.11209	15.0
196.12526	0.8
197.13295	1.3
199.11263	0.7
205.36343	0.6
207.11720	1.1
209.13316	1.6
211.11194	0.9
211.14772	1.4
225.12753	1.6
225.16302	4.4
227.12686	0.9
228.08701	0.8
235.14723	3.1
243.17529	1.8
253.15895	6.4
271.16904	14.9
272.17389	0.8
289.18002	8.4
345.20865	1.8
363.21680	27.9
364.21832	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01877	4.1
55.05510	25.9
57.03441	7.4
58.84013	0.5
63.00539	0.5
65.03933	1.3
67.05504	16.9
69.03428	2.2
69.07076	4.9
70.06577	0.6
70.27943	1.1
70.28326	1.2
71.04983	0.9
75.84454	0.5
79.05489	18.5
81.03413	0.7
81.07056	13.7
83.04964	3.1
83.08621	9.9
85.02885	0.6
85.06541	1.3
91.05474	15.2
91.06021	1.1
93.07037	8.7
95.04948	1.5
95.08592	3.5
97.06523	0.9
97.10168	19.0
99.04419	0.6
103.05452	1.1
104.06225	0.8
105.07037	5.5
107.04937	1.2
107.08590	11.8
109.06521	1.9
109.10168	5.1
111.08073	3.2
115.05457	1.5
116.06203	0.6
117.07018	12.1
119.08578	100.0
120.08914	2.0
121.10143	2.6
123.08099	0.7
125.09619	15.9
128.06177	1.5
129.05458	1.6
129.07007	4.4
131.04948	1.0
131.08577	3.9
133.06487	5.6
133.10139	2.9
135.08051	13.6
135.09019	1.1
137.09604	2.1
141.06966	1.7
143.08582	2.6
143.10683	0.9
144.05695	1.7
145.06493	2.1
145.10109	7.3
147.08043	8.2
147.11700	0.6
148.23257	0.6
149.02325	0.6
149.05942	0.7
149.09650	0.9
153.09128	1.7
155.08562	1.5
157.08772	1.1
157.10121	8.2
159.08047	47.8
159.11620	3.1
160.08427	1.9
161.09587	4.0
163.07568	1.1
169.10149	7.1
171.10173	1.7
171.11699	1.4
173.09624	8.8
173.13321	1.0
175.07588	1.7
175.11209	1.2
179.08562	0.7
179.92035	0.6
183.11684	1.7
185.09612	1.8
187.11234	1.6
189.11209	15.0
196.12526	0.8
197.13295	1.3
199.11263	0.7
205.36343	0.6
207.11720	1.1
209.13316	1.6
211.11194	0.9
211.14772	1.4
225.12753	1.6
225.16302	4.4
227.12686	0.9
228.08701	0.8
235.14723	3.1
243.17529	1.8
253.15895	6.4
271.16904	14.9
272.17389	0.8
289.18002	8.4
345.20865	1.8
363.21680	27.9
364.21832	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26977	0.2
55.05529	0.3
56.02066	0.2
57.03444	0.5
57.47344	0.2
58.06850	0.2
59.04989	0.2
67.05494	0.6
69.03460	0.2
69.07075	0.4
69.51353	1.7
70.06595	0.3
79.05484	0.7
81.03419	0.3
81.07053	0.6
83.08625	0.2
84.54006	0.2
91.05491	1.5
91.97686	0.2
93.07067	0.5
95.04954	0.4
95.08600	0.4
97.10188	0.3
103.05475	0.2
103.11549	0.2
105.07040	0.7
107.08586	0.6
109.10116	0.3
111.04443	0.5
115.05437	1.3
117.07021	1.8
118.06550	28.8
119.06847	0.4
119.08593	0.8
119.85422	0.2
121.10153	0.4
125.09612	0.3
130.06537	0.6
131.08551	0.5
132.08090	2.8
133.08925	1.1
134.09653	0.6
135.08054	0.3
142.06528	2.4
143.07315	1.8
144.04465	0.6
144.08092	11.1
145.06480	0.6
145.10103	0.3
146.06017	45.7
146.09654	2.1
147.06401	1.4
147.10286	0.2
148.11269	0.3
155.05974	0.3
157.10008	0.2
159.08061	0.4
159.11813	0.2
160.07585	0.4
167.07033	0.9
170.06039	3.6
173.09625	0.4
176.14354	100.0
177.14713	4.1
188.07077	30.1
189.07387	0.9
216.13857	1.1
234.14955	2.0
243.06525	0.2
289.18008	0.5
297.71475	0.2
318.11182	0.4
345.14413	0.3
363.20685	21.0
364.20950	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	3.1
55.05515	15.2
62.78608	2.3
65.03945	3.1
67.05505	22.4
69.07049	9.1
70.08093	11.5
79.05489	6.7
80.47095	2.6
81.03419	2.5
81.07051	4.3
83.08587	3.3
85.06563	15.3
85.06995	3.4
91.05474	11.9
93.07062	3.9
95.04983	3.2
95.08591	5.0
97.10196	5.1
105.07010	7.8
107.05006	2.8
107.08591	5.2
109.06511	3.1
109.10134	4.5
117.07049	4.1
118.05957	2.4
119.04942	3.0
119.08568	8.1
121.10112	3.1
125.09634	4.8
131.04959	4.7
131.08563	5.4
135.08025	3.2
140.96136	1.9
143.08452	2.3
147.04404	14.5
147.08025	4.0
159.04424	9.5
159.08049	4.1
162.69385	2.3
163.03935	5.1
175.03911	100.0
177.05515	8.8
187.03894	26.4
187.07587	3.7
189.05426	8.0
199.03905	5.7
201.05507	5.1
203.03421	6.0
203.06970	4.6
211.14902	2.6
217.08588	3.8
226.06255	7.6
229.08604	31.2
231.10115	8.4
241.08606	21.3
243.10187	18.4
247.09666	52.9
259.09735	8.4
289.17902	3.8
295.13257	7.2
300.10184	3.1
313.14230	17.7
331.15350	5.0
363.21713	8.1
363.26218	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.6
53.03933	4.3
55.01864	5.0
55.05483	2.1
58.06596	1.6
65.03947	1.9
67.05187	1.6
67.05509	24.3
69.03423	4.0
69.07071	2.6
69.54712	12.1
79.05491	5.3
81.03421	45.5
81.07056	3.9
83.04980	1.9
88.07646	3.0
91.05476	5.5
91.47696	1.3
93.07020	5.5
95.01322	8.2
95.04971	74.9
95.08604	4.4
97.06516	1.5
105.07034	6.0
107.04952	5.3
107.08582	2.7
109.06499	2.4
109.10123	1.5
111.38214	1.6
115.05459	3.3
117.07024	6.3
119.04927	1.9
119.08592	3.5
121.06510	4.3
121.10123	1.9
128.06207	5.8
129.06984	3.3
131.04970	2.8
131.08540	3.5
133.10100	1.5
135.08101	2.4
141.06967	2.5
142.07806	4.6
143.08568	29.2
145.06482	13.0
145.10124	4.5
147.08066	2.8
153.06976	3.2
154.07758	2.3
155.08559	6.4
156.09349	2.0
157.06461	2.0
157.10133	6.8
159.08087	4.8
159.11682	2.6
165.07001	6.7
166.07869	3.0
167.08565	7.7
168.09335	2.0
169.10159	9.3
170.07251	1.9
171.08052	7.4
171.11700	2.0
173.09650	2.0
178.07799	4.7
179.08614	12.8
180.09366	4.3
181.06410	1.7
181.10135	12.0
182.10931	1.9
183.08136	1.7
183.11676	4.9
185.09673	9.7
185.13274	3.4
187.07524	1.6
189.09142	3.4
190.07864	2.1
191.08501	5.2
192.09355	21.3
193.10129	26.7
194.07480	1.7
194.10834	3.6
195.08076	4.5
195.11725	8.8
197.09589	4.3
197.13217	5.5
199.11366	2.2
199.14819	2.5
202.07784	5.2
203.08618	7.8
203.10345	1.9
204.09283	3.5
205.08351	1.5
205.10085	8.9
206.07234	1.7
206.10909	6.7
207.08110	3.7
207.11676	39.2
208.12386	5.5
209.09627	14.4
209.13248	6.5
211.11295	3.1
211.14807	1.7
215.08588	3.3
216.09276	4.4
217.10107	15.0
218.10915	8.1
219.08195	3.4
219.11697	8.9
220.08803	7.7
220.12430	5.4
221.09615	30.8
221.13272	5.8
222.10295	2.9
223.11169	3.7
223.14830	2.3
225.09218	2.0
225.12720	3.0
227.08531	2.5
227.10696	2.1
228.09204	2.0
229.10133	2.8
230.10826	4.6
231.08080	3.8
231.11742	8.3
231.13814	2.1
232.08862	5.0
232.12424	4.9
233.09621	6.5
233.13293	5.6
234.10388	4.7
234.14075	2.3
235.11189	59.3
235.14746	11.4
236.11940	28.4
237.12787	4.8
237.75021	1.5
239.10684	5.3
239.14413	1.9
242.10933	6.0
243.11755	3.6
244.08817	2.7
245.09576	9.7
245.13298	5.3
245.15546	2.0
246.10385	4.6
247.11197	5.9
247.14818	6.1
248.11977	7.3
249.12642	5.8
249.16432	6.4
250.16962	2.0
251.14326	2.8
253.12248	8.3
255.07973	2.0
257.13290	9.1
258.10391	3.2
259.11249	7.2
259.14700	3.2
260.11935	9.4
261.12891	9.5
262.13165	2.4
263.14310	38.3
264.14569	1.7
269.15659	1.6
270.10446	3.6
271.11288	2.6
273.09125	4.7
273.12637	4.1
274.13263	3.4
275.10770	4.6
275.14291	13.2
277.15829	18.2
278.16626	82.4
279.17105	4.2
281.15329	7.3
285.12756	9.3
287.10382	2.7
288.11423	7.0
289.12201	4.1
293.11563	1.9
293.15161	2.3
295.16968	5.3
302.12769	2.1
302.16394	2.5
303.13885	33.9
303.17426	5.8
305.11905	2.6
307.13382	2.9
317.15656	1.6
317.18967	8.5
317.41354	1.8
320.14001	6.4
321.14877	16.9
335.19989	3.3
345.18512	8.8
348.16931	2.6
363.19522	100.0
363.26877	4.1
363.32697	9.9
364.19791	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	363.037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07745	1.5
55.01857	1.5
55.05523	2.1
55.93527	2.8
56.05027	1.7
56.94299	5.4
56.96559	2.0
57.03460	2.2
60.04518	14.1
60.05649	2.6
67.05499	3.4
69.03424	7.4
69.07073	4.5
69.46680	8.9
69.47104	4.9
70.06567	11.1
70.95864	3.4
72.08141	8.9
72.93782	20.4
74.06084	5.7
74.95364	2.2
75.06431	2.0
79.05479	3.4
81.03413	5.7
81.07040	3.4
83.04967	5.1
83.06093	1.9
84.04494	6.7
84.08141	6.2
85.02898	11.7
86.03564	3.3
86.09713	5.6
87.00817	2.1
88.96913	2.4
90.94824	18.1
91.05470	2.9
93.07056	2.6
95.04995	3.0
95.08601	2.1
97.02908	7.6
97.06509	2.7
98.97598	4.1
101.07143	1.9
102.05534	3.5
102.94817	2.7
103.56443	1.8
108.95866	7.1
109.02901	4.5
110.07121	2.3
114.94838	1.8
116.96393	3.5
116.98681	2.1
124.07649	1.8
127.03909	4.7
128.96347	6.6
129.10251	2.1
130.06563	2.5
130.97900	1.7
132.95831	50.8
134.97375	1.8
136.07547	3.5
136.95369	5.6
140.96347	3.2
141.10287	1.9
144.95839	17.0
145.05002	1.8
146.97423	7.3
150.96892	37.8
155.97424	3.5
156.95833	4.0
158.06026	1.7
158.97404	42.5
158.99516	2.4
159.09174	1.8
162.96864	22.9
167.07040	2.6
168.95796	13.8
170.97440	6.9
174.96893	23.6
175.00558	3.8
176.98460	24.6
181.98985	2.6
186.12456	2.6
186.96902	28.9
187.97372	1.7
188.98499	7.1
192.97952	7.4
193.01579	2.0
197.13083	1.7
198.96870	13.3
200.94791	5.0
200.98349	1.6
203.10306	2.8
204.10481	2.4
204.97879	9.8
216.97960	36.5
217.01561	7.4
218.95869	4.8
218.99623	3.0
229.01491	8.1
230.95879	2.0
232.10193	2.1
234.98990	100.0
239.99402	2.2
253.00073	15.5
257.09305	3.2
258.00540	10.7
259.02682	7.4
260.96893	5.8
264.33554	1.8
277.03714	25.5
278.11154	2.6
279.07538	3.2
280.38440	1.8
280.74118	1.8
295.04764	37.6
302.97888	2.2
315.12015	1.9
318.06207	3.7
321.08456	2.9
362.25406	5.9
363.03638	8.1
363.16183	10.4
363.25754	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	360.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	4.4
62.03175	3.3
69.07065	6.3
69.76552	20.9
72.08163	4.4
73.85825	3.9
130.68942	3.4
136.20955	3.4
147.04407	7.4
162.57280	3.6
164.13794	3.5
171.08026	6.7
175.03912	100.0
177.04369	9.0
187.03976	9.6
195.05388	4.3
203.14417	3.6
208.59256	3.8
229.08554	22.7
247.09682	87.6
293.38373	3.7
361.03543	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	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65654	6.0
53.81390	4.6
55.05511	37.6
67.05503	77.7
68.95294	5.4
69.03411	8.6
69.07065	39.9
70.06573	10.2
70.33981	20.2
71.04993	73.1
72.97191	5.1
73.06549	9.1
74.09711	25.2
79.05493	71.3
81.03392	5.1
81.07055	46.1
82.22679	5.5
83.08613	19.0
91.05484	28.5
93.07041	70.9
95.04977	8.8
95.08611	39.2
97.06534	11.7
97.10155	25.7
98.21414	6.7
105.07013	28.5
107.08588	51.3
109.10159	64.8
116.17161	5.5
117.07021	8.4
119.08565	20.4
119.75715	5.9
121.10146	78.9
125.09630	18.5
131.08557	7.2
133.10147	13.1
137.09586	7.1
145.10089	6.9
147.11691	8.5
153.12744	44.2
155.10728	6.6
159.11696	8.0
161.13272	5.5
167.03337	8.6
167.07108	10.3
173.11752	100.0
182.06039	8.9
189.11249	24.6
208.07599	7.8
275.20001	36.7
344.70490	5.7
352.00446	5.9
360.08408	13.2
360.12161	9.5
360.15903	7.4
361.08405	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.8
57.07075	6.7
59.04999	8.6
65.03928	2.9
67.05506	15.6
69.07072	6.3
69.66465	1.5
70.06589	8.3
71.04976	3.8
71.08637	1.5
71.52328	2.0
73.34092	1.2
79.05506	2.0
81.07043	1.8
83.08044	1.3
84.08140	1.4
85.06531	10.2
88.07634	8.8
91.05491	6.3
93.07059	2.5
95.08590	2.1
103.05466	2.7
105.03407	1.3
105.07014	2.5
107.08558	1.9
111.61034	1.3
114.09195	3.4
115.46040	1.6
117.07020	2.5
119.04949	2.2
119.08571	1.7
131.04944	10.9
132.10202	12.6
133.06496	2.0
136.76164	1.3
145.06433	1.6
147.04398	14.5
155.08621	1.5
159.04437	7.4
161.05917	2.0
161.10686	1.7
163.03935	4.5
171.04391	3.0
173.06017	2.9
175.03908	100.0
176.04399	2.3
177.05482	10.6
185.06056	2.3
187.03917	30.7
187.07524	4.0
189.05502	14.0
194.13870	3.8
195.07985	1.6
195.78807	1.4
199.03922	7.7
199.07556	1.7
201.05440	8.2
201.09184	2.3
203.03415	5.2
203.07071	2.6
213.05507	4.4
215.07079	4.4
217.08591	3.4
226.06276	6.1
227.06990	3.6
228.07787	2.2
229.08594	31.7
231.10138	15.6
239.07011	2.0
241.08586	32.1
243.10194	20.7
245.08072	5.1
247.09677	45.3
256.26398	3.1
259.09705	10.8
271.09689	3.0
274.27603	1.9
295.13251	6.3
300.11023	3.1
311.02621	2.7
313.14319	13.1
320.08057	1.5
331.15341	2.3
342.13812	8.8
362.11008	6.6
362.22574	2.7
362.32657	54.2
362.61258	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07072	15.4
70.06564	2.7
91.05472	4.0
101.95747	1.9
108.54938	2.3
111.13579	2.7
116.93862	1.9
123.77382	2.1
136.19147	1.9
142.16524	1.9
147.04390	12.1
148.03667	2.1
159.04366	2.8
163.03917	4.0
163.97972	2.1
167.83295	2.1
168.88667	2.2
175.03912	100.0
177.82959	2.5
187.03914	10.3
187.07565	2.4
201.05496	4.8
229.08603	37.9
247.09676	84.5
293.37283	2.1
298.30920	5.3
314.09039	2.5
360.34900	9.9
361.03952	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	360.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.05510	8.2
56.05015	1.4
57.05820	1.5
60.04518	3.7
69.03422	2.3
69.07059	1.1
70.06589	3.8
71.52409	1.0
72.08151	92.4
73.02902	1.0
73.08475	0.8
74.06080	1.9
78.03455	1.1
81.03416	4.3
81.07060	1.1
83.06077	0.9
84.04513	7.1
84.08144	4.3
85.02898	2.9
86.09703	100.0
95.05018	0.9
97.02908	1.6
102.05532	2.9
105.03391	2.6
106.02911	8.5
109.02877	3.3
109.06495	1.0
110.06046	0.9
110.07164	2.2
113.05981	1.0
113.37775	0.8
124.03941	13.2
127.03906	2.0
128.22006	0.8
129.10222	2.7
130.05026	3.8
139.89456	0.7
140.07018	0.7
142.76190	0.7
148.06029	15.7
159.84744	0.8
160.03162	0.7
180.06500	0.9
185.16487	54.4
186.16789	0.9
213.15958	29.5
232.99442	0.9
250.07047	4.0
261.14444	16.1
268.08157	3.5
287.90253	0.9
299.28723	0.7
317.12054	2.3
342.22681	1.8
355.59061	0.8
360.12772	1.0
360.23962	1.7
361.10983	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	360.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01866	0.9
55.05509	6.8
56.05030	4.8
57.03437	2.3
60.04522	41.2
61.01136	1.6
67.05493	3.5
68.05029	1.6
69.03419	2.5
69.07065	8.9
70.06588	32.9
70.87542	2.2
71.04984	1.9
72.04509	1.6
72.08152	85.4
73.02914	0.8
73.08488	3.0
74.02399	0.9
74.06067	0.8
79.05492	5.2
81.03415	10.0
81.07054	7.9
82.06566	1.5
83.04960	2.0
84.04501	35.6
84.08127	4.2
85.02904	3.0
85.06529	2.7
86.09702	100.0
87.10030	1.6
91.05466	5.0
93.07043	3.5
95.04967	3.8
95.08587	3.2
96.08172	0.8
97.02900	1.7
97.06529	1.5
99.08084	2.1
102.05533	22.6
103.05466	2.8
103.92326	0.8
104.03429	0.8
104.05294	2.6
105.07042	3.4
106.06540	6.8
106.49041	0.8
107.04951	3.5
107.08595	1.2
108.08131	4.0
109.02872	23.8
109.06487	4.3
110.06003	1.1
110.07166	1.1
110.09694	1.7
111.08070	1.6
112.07578	1.8
113.05997	3.0
116.07078	8.5
117.07075	1.1
118.08655	10.9
119.08544	1.9
120.08089	4.0
123.08059	1.1
124.11235	1.1
127.03903	3.4
127.07572	1.4
128.07074	0.9
129.06628	1.5
129.10223	2.3
130.08650	3.2
131.04932	11.5
131.08549	3.0
132.04468	0.8
132.10194	39.7
133.10130	2.0
135.08052	1.0
136.07573	2.6
137.05925	1.0
138.09132	9.7
139.07568	1.0
143.08594	1.4
144.08008	0.9
145.10115	1.3
147.11655	1.2
148.06042	1.3
155.11803	2.3
156.10182	8.2
161.09610	1.0
165.05447	1.6
169.13336	1.2
170.11728	1.0
172.11520	3.0
175.11208	1.1
183.11287	31.5
185.16513	7.7
192.04909	0.8
192.06409	4.7
197.12811	4.0
198.24789	0.8
201.12328	31.2
201.14220	1.7
206.08228	1.0
211.10773	7.5
213.16006	3.2
215.13911	14.8
217.13718	5.4
221.11800	2.2
225.12321	1.7
226.89984	0.9
228.10271	1.0
228.13184	1.0
229.11861	13.4
230.52483	0.9
231.17047	2.8
234.07481	1.1
236.29288	0.8
243.13397	11.0
245.13179	1.3
247.12872	2.2
261.14453	1.4
274.12711	2.7
288.19614	1.0
292.13831	2.5
306.20673	2.6
324.21677	13.1
333.14261	0.9
342.18982	1.3
342.22797	22.3
360.20050	4.4
360.23856	10.1
361.13806	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	359.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37815	2.0
52.67372	2.3
55.05513	15.4
57.03425	7.1
57.07078	100.0
58.06596	2.8
67.05509	37.2
67.54118	2.2
69.07072	21.0
70.06591	2.6
71.08633	77.4
71.52586	2.5
75.04501	3.7
77.32340	2.4
79.05483	6.5
79.21758	2.0
81.07054	44.8
83.08620	20.2
85.10183	47.0
88.07642	5.0
91.05499	2.6
93.07033	3.8
95.08607	69.2
97.10176	24.3
99.11734	4.0
102.09232	2.3
105.03732	19.4
107.08587	6.6
109.09455	4.2
109.10154	36.7
111.11714	8.3
113.13356	3.0
113.48093	2.2
119.08563	3.3
122.06345	7.4
123.11723	15.5
125.13312	3.0
128.14023	2.4
137.13251	6.2
143.08578	2.7
145.10120	3.4
151.14870	3.5
234.04790	3.3
267.26849	14.2
285.27866	8.5
296.29437	42.5
341.30515	71.0
341.35141	3.7
342.30920	4.5
359.23303	4.1
359.37115	27.6
360.29327	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1697
Annotation	Loliolide beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03947	1.5
55.01868	1.6
55.05516	4.2
57.03424	2.1
57.07074	1.1
57.27057	0.9
59.05001	0.8
60.04516	5.9
61.02918	2.1
64.30717	0.8
67.05508	5.9
68.99767	1.5
69.03423	8.2
69.07066	10.3
70.06603	4.3
70.80114	2.8
71.04987	1.8
72.08145	3.1
79.05489	5.7
81.03429	5.1
81.07053	12.4
83.05001	4.9
83.08623	2.0
84.08143	2.4
85.02905	13.9
85.06535	3.2
86.09703	24.5
87.00794	1.2
87.05583	1.1
91.05471	7.0
91.30560	0.8
92.05795	0.8
93.07037	12.5
95.04956	3.8
95.08601	7.3
96.08086	0.9
97.02916	4.3
97.06532	1.9
98.02473	1.2
99.04465	3.0
105.03402	2.4
105.07019	12.5
107.04942	1.3
107.08592	35.2
108.08901	0.9
109.02869	6.9
109.06513	3.2
109.10157	6.5
110.37883	0.8
111.04466	2.1
111.08080	2.3
113.05978	1.4
115.03914	1.0
117.07043	1.9
119.04992	1.0
119.08567	8.8
120.08116	1.6
121.06493	2.5
121.10136	8.7
122.02759	1.1
123.04450	1.5
123.08067	1.8
123.11687	3.7
127.03929	3.8
129.10252	1.9
131.04916	1.0
131.08578	3.0
133.10127	22.2
135.08043	1.6
135.11691	2.6
137.05927	2.1
137.09587	2.4
137.13234	1.0
138.09096	1.1
139.07515	1.9
139.11195	1.2
143.08553	2.4
143.11790	3.3
145.04930	1.3
145.10132	2.3
147.04373	1.2
147.11670	2.1
149.09599	5.6
149.13208	1.5
151.04001	1.3
151.07542	1.3
151.11162	7.6
153.09029	1.0
153.12596	1.1
157.10060	2.0
159.02840	1.0
161.09608	6.3
163.11252	1.1
167.10660	14.3
171.11319	0.9
173.13191	1.3
175.11180	1.3
177.12790	1.5
179.10658	17.2
180.10968	1.0
183.11348	1.7
189.12364	3.4
193.12172	1.0
194.12578	1.6
197.11720	100.0
198.12172	1.4
200.13974	4.9
201.12445	1.6
219.13837	1.3
228.13420	3.3
237.14799	1.6
269.22629	1.4
305.24640	1.2
323.14819	2.6
341.21646	1.6
342.22717	1.6
359.12674	2.1
359.22446	1.7
360.23892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1699
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
52.55875	0.6
53.03945	1.0
55.01863	1.4
55.05508	1.8
57.03425	2.0
57.07063	0.7
59.04987	0.8
60.04512	2.2
61.02929	3.8
67.05491	2.5
69.03431	9.3
69.07066	2.6
69.43500	5.2
70.06592	4.3
71.04988	1.8
72.08160	1.8
73.02903	1.3
74.06082	1.1
79.05481	2.5
81.03420	5.1
81.07056	3.2
83.04981	1.1
84.04479	0.6
84.08128	2.5
85.02904	33.0
85.06534	0.9
86.06097	0.7
86.09709	8.3
87.04472	1.7
91.03940	1.6
91.05478	7.3
93.07042	9.8
95.04974	4.5
95.08602	1.7
97.02891	8.0
97.06515	1.0
99.04463	1.7
105.07031	10.4
107.04981	1.1
107.08598	23.7
109.02870	4.2
109.06496	1.9
109.10165	3.3
117.07018	0.8
119.08588	4.4
120.08131	0.8
121.06514	3.9
121.10133	1.4
123.04432	1.3
123.08035	0.8
123.11685	1.5
127.03926	7.3
129.10236	1.2
133.10132	25.8
134.10562	0.7
135.11694	23.3
136.07568	1.0
136.11951	0.9
137.05965	1.3
137.09602	2.2
143.08513	1.0
143.11809	0.8
145.04985	3.6
151.11166	2.2
161.09619	13.9
179.10672	43.9
180.10992	1.4
197.11734	100.0
198.12071	2.4
198.35960	0.7
207.14694	0.7
212.09126	1.2
228.13496	0.9
341.27954	2.3
345.63046	0.7
359.12085	1.4
359.16434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Loliolide beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03935	4.1
55.01862	3.4
55.05503	4.5
56.05023	3.4
57.03431	3.7
59.05004	1.2
59.61071	1.0
60.04529	7.8
61.02928	5.8
67.05494	4.3
69.03429	17.4
69.07063	4.1
70.06594	28.5
70.77554	1.9
70.77890	2.3
71.04987	4.7
72.08156	33.0
73.02910	2.6
79.05496	4.3
81.03416	13.5
81.07054	4.8
83.04958	2.0
83.06095	3.5
84.04507	6.9
84.08150	10.2
85.02907	43.1
85.06544	2.8
86.09705	15.9
87.04443	1.6
89.95708	1.2
91.03953	2.3
91.05464	9.0
93.07043	7.4
95.04945	5.2
95.08621	5.0
97.02888	15.3
97.06521	2.4
99.04449	4.0
101.07121	1.6
102.05505	1.6
103.05485	3.2
105.03336	1.1
105.07042	11.3
106.06554	2.7
107.04932	3.5
107.08598	64.6
108.08920	1.6
109.02881	22.8
109.06514	3.7
109.10155	10.3
110.07167	3.4
111.08084	1.7
112.07588	1.5
112.08706	1.2
116.07102	3.9
117.10258	2.2
119.04995	1.5
119.06032	1.4
119.08569	3.8
120.08120	4.3
121.02894	1.3
121.06514	3.9
121.10132	1.7
123.04396	1.3
123.08067	1.5
123.11731	2.1
127.03920	11.1
127.07561	1.4
129.10255	7.0
130.06540	2.7
130.08643	1.7
131.04951	4.8
131.08611	2.4
132.04439	1.7
132.10179	2.3
133.10127	32.4
135.11696	12.8
136.07579	2.1
137.05974	4.0
137.09599	9.7
143.11746	1.4
145.04948	11.1
146.07191	1.6
151.03960	1.3
151.11209	5.7
152.07057	1.4
157.07645	2.4
161.09639	8.7
167.07120	1.4
175.03752	1.2
179.10666	24.8
189.12320	1.2
192.06548	1.7
197.11719	100.0
198.12057	3.5
201.12454	2.1
207.06499	1.1
215.14023	1.5
217.13672	1.3
228.13449	3.5
242.14923	1.3
243.13210	1.5
263.18530	1.2
339.10678	1.1
342.22736	3.3
359.12537	1.9
359.16806	5.3
359.23315	1.3
360.19974	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
65.34106	0.3
67.05497	0.9
69.03391	0.5
69.72291	2.1
70.06586	0.8
72.08113	0.5
73.81548	0.4
79.05491	0.6
81.03413	0.8
84.08118	0.5
85.02890	0.5
91.05471	0.4
109.02872	0.5
120.08099	0.4
127.54954	0.4
137.05997	0.8
144.26645	0.4
212.07034	0.4
214.05035	0.5
215.05772	28.7
216.06082	0.9
221.86267	0.4
226.15941	0.4
228.06544	1.4
240.06461	0.8
242.04535	1.2
243.05287	12.9
244.05850	0.6
256.06058	7.2
257.06769	0.5
258.03989	23.3
258.07507	2.8
259.04340	0.7
268.06079	1.0
270.07669	0.4
271.04819	1.9
272.05417	1.2
282.07480	2.4
284.05573	3.7
286.07108	100.0
287.07373	3.6
287.85284	0.4
310.07114	1.8
312.12460	0.8
312.23190	0.8
340.11868	3.0
358.12869	92.1
359.13058	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	358.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.8
66.06560	0.5
67.08276	0.5
69.07039	0.5
72.08128	0.6
79.05457	0.5
81.03387	0.7
81.07018	0.9
85.02857	0.5
91.05462	0.6
93.07008	0.7
95.08590	0.8
105.07008	0.8
109.10141	0.9
119.08494	0.6
133.10043	0.6
135.11693	0.5
186.05467	1.0
187.06209	0.9
200.06992	0.8
204.43936	0.5
212.07030	0.6
214.05022	3.1
215.05791	2.2
228.03004	0.5
228.06551	6.2
238.64203	0.5
242.04503	1.3
243.05276	5.7
256.06061	46.5
257.06332	1.4
258.03787	2.2
258.07562	3.2
269.03113	0.8
270.03979	16.3
271.04755	71.1
272.05148	2.2
284.05551	1.3
286.07104	100.0
287.07477	3.8
298.11594	0.6
303.12326	0.7
340.12134	1.7
358.13147	1.9
358.28073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.6
55.01864	14.9
55.05511	20.8
57.03436	5.5
57.07071	6.8
61.02931	4.7
67.05500	22.9
68.99780	9.0
69.03426	56.5
69.07070	100.0
69.40208	23.8
70.06569	3.0
71.01354	7.4
71.05003	15.0
73.02921	3.5
79.05488	13.7
81.03416	27.7
81.07054	22.3
83.04962	12.1
83.08633	9.4
85.02896	33.3
85.06541	23.4
86.96930	3.4
86.97562	3.2
87.00833	19.4
87.04446	3.4
91.05460	20.4
93.07041	33.0
95.04963	12.4
95.08616	19.8
97.02880	11.5
97.06553	7.2
99.04462	9.9
99.08080	3.6
105.01858	6.0
105.07029	23.7
107.04968	7.4
107.08582	35.6
109.02861	15.1
109.06519	12.1
109.10132	19.0
111.04446	18.0
111.08086	24.7
111.11722	7.1
115.03914	10.8
117.01839	5.4
117.07005	10.5
119.05008	4.7
119.08582	21.5
121.06495	17.9
121.10125	20.2
123.04429	3.4
123.08063	8.6
123.11723	10.5
125.09625	8.6
127.03917	12.9
127.11182	8.1
128.06259	3.5
129.01823	3.4
129.05482	5.6
129.06976	4.0
131.08551	15.0
133.10123	13.4
135.08034	9.9
135.11693	11.2
137.05971	8.6
137.09648	16.9
139.07538	15.8
139.11205	14.1
141.09111	5.5
141.12749	14.2
143.08542	13.0
145.06523	5.1
145.10103	7.1
147.02898	5.3
147.04469	3.6
147.11652	9.0
149.09607	6.6
149.13237	3.3
151.11180	6.8
153.12752	9.2
157.10132	4.6
159.02914	8.6
159.08060	5.5
159.11737	14.3
161.09601	14.2
163.11194	14.2
165.12746	6.9
169.12288	6.1
173.09433	3.4
173.13246	5.5
175.11160	6.8
177.09062	5.1
177.12767	19.0
179.10713	15.5
181.12134	4.1
189.03941	4.7
190.13887	3.3
193.12251	3.8
195.13815	9.9
197.11739	7.7
201.03885	6.3
201.12735	10.0
219.13802	22.5
237.14903	19.5
297.16998	6.3
323.14865	39.8
341.15948	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	358.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
59.01080	0.4
59.04980	0.5
60.49593	0.4
65.32657	0.4
67.05483	0.9
69.03441	0.4
69.07043	0.4
70.06588	0.5
71.53150	0.8
79.05449	0.7
81.03413	0.7
81.07042	1.0
84.08125	0.6
91.05418	0.5
93.07016	0.5
95.08563	0.5
97.48677	0.4
100.11172	0.5
105.07029	0.9
107.08612	0.5
109.02871	0.7
110.06060	0.5
121.02827	0.5
137.05952	1.0
138.06281	0.6
157.49541	0.4
214.05040	1.2
215.05742	22.2
216.06149	0.7
226.05093	0.5
228.06575	1.7
242.04471	1.2
243.05237	10.5
244.05728	1.0
254.07942	0.5
256.06036	7.3
257.06595	0.6
258.03979	19.2
258.07401	3.0
259.04547	0.4
267.05188	0.6
268.06003	1.5
271.04904	1.1
272.05493	1.6
282.07556	3.7
284.05566	3.7
286.07092	74.5
287.07434	4.2
298.11011	0.7
300.05823	1.0
308.09509	0.7
310.07175	1.5
312.12350	1.4
325.09430	0.8
340.11826	4.2
358.12842	100.0
359.13120	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	358.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93824	1.5
55.05511	5.9
55.21255	0.9
55.93532	11.6
56.94299	2.1
57.07077	13.5
57.93545	1.1
58.06589	5.3
58.65724	1.0
59.05000	24.8
61.68504	1.0
62.18685	0.8
65.03922	3.5
67.05510	15.1
69.07066	1.4
70.06599	10.5
70.95859	5.6
71.04991	7.1
71.18285	0.9
71.53143	0.9
71.53532	1.1
71.92995	1.2
72.30997	0.9
72.93780	5.6
78.50620	0.8
79.05469	0.9
81.03401	2.4
83.01314	1.4
83.04978	2.4
84.04468	2.3
84.08135	9.7
85.06101	1.0
85.06545	15.7
85.08914	1.8
88.96896	1.9
89.03918	1.1
90.94805	3.6
91.05479	14.2
95.04955	1.4
97.06490	1.2
98.06038	2.8
102.27538	1.0
103.05441	2.7
105.07004	3.1
109.06530	0.9
112.07595	1.6
115.05441	2.0
116.98403	1.7
117.07058	1.0
119.04942	8.2
121.02790	1.0
121.06445	1.9
127.09940	1.1
128.06212	2.1
128.96300	1.1
131.04926	12.5
133.06418	1.8
136.97067	0.9
140.96278	1.0
141.06943	1.1
142.97786	1.4
143.04926	1.3
145.06471	2.0
146.03618	1.3
146.97336	1.0
147.04411	25.8
148.05052	3.1
150.98332	1.0
156.05611	1.8
157.06435	1.1
158.97389	1.2
159.03444	1.0
159.04449	9.8
160.04881	1.1
161.05916	3.7
163.03870	1.7
166.97850	1.1
168.05754	1.9
169.06473	1.7
170.97340	1.1
171.04402	6.2
173.02278	1.3
173.05936	2.8
174.03038	0.9
175.03911	85.6
176.04294	7.0
177.04079	1.1
177.05482	14.4
178.05913	1.0
178.97861	3.8
181.06430	1.2
182.07208	1.2
183.07980	2.3
185.05908	3.5
186.06607	1.1
187.03905	29.7
187.07509	2.7
188.01021	1.9
188.04384	3.4
189.05479	15.9
190.97850	1.0
192.95695	1.1
194.97382	5.2
196.98874	2.1
198.06735	1.4
199.03918	21.9
199.07513	1.6
200.04292	2.4
201.01883	1.1
201.05444	5.9
201.08978	2.1
202.04950	4.2
202.97902	1.3
203.03424	12.5
203.07014	3.3
205.96504	2.1
206.97313	5.9
206.99261	1.7
208.98915	2.9
211.07487	1.5
211.24875	1.0
212.08339	1.3
212.98376	3.2
213.05594	5.7
213.09132	5.2
215.03375	8.2
215.07063	1.4
216.04216	4.7
217.01353	1.3
217.04971	2.0
218.02095	12.6
218.97377	4.5
219.98059	1.3
220.98865	2.7
223.00481	1.1
223.97630	2.7
224.98466	4.8
225.09059	1.6
225.98947	1.3
227.06937	3.9
228.07790	1.1
229.04871	4.4
229.08592	10.7
230.02057	2.0
231.02888	50.3
231.10197	7.3
232.98952	2.8
233.04454	49.8
234.96852	7.3
235.03113	1.3
236.98395	2.9
238.02733	2.9
238.96205	1.8
238.99956	1.9
241.08603	10.5
242.09062	1.9
242.99347	2.9
243.10181	7.1
244.98955	2.3
245.07906	1.6
246.96880	8.8
247.03204	4.2
247.09555	6.3
247.53551	1.7
248.98482	7.1
249.98773	1.2
250.99980	5.0
252.04327	1.2
252.97845	4.2
253.08479	3.4
256.09659	1.2
258.54062	1.7
259.00473	1.3
259.09586	3.2
260.98416	7.2
261.02328	2.2
261.04825	3.2
261.11121	1.4
262.96292	5.6
263.00244	1.7
264.97955	9.4
265.98401	1.5
266.04092	1.4
266.99408	4.7
268.97314	1.1
269.98096	1.6
271.00500	2.0
271.09714	7.5
272.98279	1.6
273.02072	1.6
273.04938	2.5
273.55246	9.1
274.05539	7.9
274.10571	3.0
274.55692	1.9
274.96701	1.2
274.99997	10.8
276.97818	8.0
277.00989	1.7
278.99408	4.1
279.55762	1.2
279.96625	1.4
280.05618	9.1
280.55585	2.2
280.97372	16.0
281.97754	1.1
285.02072	1.9
287.00018	1.8
287.06180	1.1
287.99374	1.5
288.97949	1.7
289.01431	3.4
289.06158	2.3
289.56329	2.1
290.99362	4.5
292.97360	2.1
293.00803	1.8
294.07080	3.4
294.98804	1.8
296.06699	1.5
299.00040	1.3
299.09155	8.7
300.56970	1.8
301.01477	2.7
301.07562	2.6
302.99643	1.4
303.03143	6.1
303.07611	5.3
303.99588	1.1
305.00647	1.2
306.57779	2.0
306.99017	2.3
307.02298	1.7
307.07999	2.6
307.57666	1.5
307.99719	1.2
308.06921	6.0
308.57092	1.9
313.14359	4.6
314.99609	1.6
315.03091	2.9
315.08267	2.1
315.58185	26.3
316.08478	48.0
316.58667	12.2
317.01028	6.3
317.10159	6.9
318.02039	1.0
319.02621	20.4
320.02969	2.1
322.08401	2.9
322.58841	1.2
333.00507	1.5
333.04092	11.0
336.09445	1.6
337.03583	1.3
337.09027	1.1
343.02469	1.9
348.60626	1.3
349.10687	4.3
349.60742	2.4
357.61661	5.7
358.11444	100.0
358.61563	34.4
359.11545	2.5
367.06125	2.4
378.62680	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.6
54.93812	0.7
55.05508	3.8
55.93525	7.0
56.94308	0.7
57.06831	0.6
57.07079	6.7
57.93563	0.6
58.06578	0.7
59.05003	5.5
65.03930	2.9
67.05505	7.9
69.03419	1.0
70.06577	0.6
70.67302	1.5
70.95867	2.7
71.04998	3.4
71.92999	0.7
72.93784	3.0
79.05484	0.8
81.03397	1.1
83.01299	0.9
84.08114	0.8
85.06086	0.7
85.06544	8.9
90.94832	1.1
91.05473	5.0
93.52938	0.5
95.04997	0.8
103.05487	1.0
105.07005	1.5
115.05434	1.7
117.07013	0.9
119.04952	3.8
121.06507	0.6
128.06197	1.1
129.06973	0.9
131.04944	6.7
131.24846	0.5
133.06468	1.1
140.96307	0.5
141.06969	0.7
142.97876	0.6
143.04938	0.6
145.06465	1.5
146.97368	0.6
147.04405	12.0
148.05112	2.0
153.07024	0.6
154.97838	0.5
155.08568	0.7
157.06494	0.8
159.04410	5.4
161.05984	1.7
163.03839	0.9
166.97824	0.6
168.05725	1.2
169.06514	0.9
169.10062	0.7
170.07286	0.6
171.04443	4.2
172.05115	1.1
173.05949	1.5
175.03909	43.8
176.04410	3.9
177.05467	7.1
178.05830	0.7
178.97867	0.8
181.06485	0.9
182.07175	0.9
183.07983	1.0
185.05928	1.2
187.03925	17.6
187.07513	1.7
188.04305	1.5
189.05452	8.8
192.95908	0.8
194.97403	2.9
195.08032	0.8
196.98923	1.0
197.06010	0.9
198.06769	1.3
199.02055	1.0
199.03906	17.5
199.07596	2.5
200.04308	2.6
201.05466	3.2
201.09056	2.0
202.05025	3.9
202.97891	1.5
203.03386	3.0
203.07152	1.2
205.96651	1.5
206.97392	1.7
208.99014	1.7
211.07500	0.8
212.98454	0.9
213.05417	3.3
213.09154	2.7
215.03354	0.7
216.04179	0.8
216.95909	0.6
217.04927	1.5
217.08507	0.9
218.02170	1.3
218.97412	2.2
219.98172	1.0
220.95399	1.0
220.98993	1.2
222.98961	0.7
223.97650	1.5
224.98492	3.3
226.99886	0.7
227.07097	2.6
228.07587	0.8
229.05022	0.7
229.08614	7.0
230.09082	0.8
230.97522	0.7
231.02957	3.9
231.10135	3.8
232.99086	1.1
233.02388	0.6
233.04482	4.6
234.96915	4.1
236.98390	2.5
237.00526	0.7
238.02728	1.8
238.53175	0.8
238.96393	0.6
238.99870	0.6
241.08611	7.9
242.09111	0.8
242.99536	1.0
243.10118	6.3
244.10435	0.7
244.99060	1.0
245.08064	1.6
246.96925	4.6
247.03319	2.0
247.09648	7.9
247.53709	1.0
248.03918	0.8
248.10057	0.7
248.98453	4.1
251.00047	2.4
251.97054	1.3
252.97937	2.5
253.08662	3.7
254.04129	0.8
254.08907	0.8
256.99060	0.8
258.54028	1.2
258.97037	0.6
259.00470	1.2
259.05087	0.7
259.09671	2.0
260.98553	3.7
261.04797	0.7
261.99066	0.7
262.96304	3.7
263.00156	1.1
264.97910	6.4
265.54092	0.7
265.98242	0.7
266.04086	1.2
266.99585	3.0
269.98257	0.7
271.09637	5.3
272.09921	0.7
272.54572	1.4
272.98428	1.2
273.04852	5.1
273.55252	5.6
274.05746	3.2
274.10706	7.6
274.96185	0.8
275.00073	2.8
275.97702	0.6
276.97913	4.5
277.01062	0.9
277.98166	0.8
278.99460	2.2
279.55508	1.0
280.05646	7.4
280.55838	2.5
280.97379	8.3
285.02017	0.8
287.06296	0.6
287.99188	1.0
288.97852	1.5
289.01483	1.9
289.06485	1.1
289.98486	0.8
290.99469	3.3
292.97458	1.5
293.00885	1.1
294.05341	1.6
294.98804	1.0
295.13239	0.6
299.00031	1.1
299.06186	0.5
300.56833	1.0
301.01535	2.3
302.99509	1.5
303.03076	3.5
306.57858	1.7
306.99054	1.2
307.02475	1.1
307.07965	2.1
307.57870	1.5
308.06918	3.8
308.57111	0.7
313.14340	2.2
315.03088	1.7
315.08221	1.6
315.58167	24.1
316.08466	29.7
316.58566	6.0
317.01154	3.6
318.01956	1.4
318.99197	0.6
319.02609	10.9
320.02960	0.7
321.00543	0.6
322.08563	2.1
322.58911	0.8
329.01132	0.9
331.02631	0.8
331.15369	1.0
331.57477	0.8
333.00421	1.2
333.04169	8.9
334.04614	1.2
335.01743	1.0
336.09274	1.3
336.59726	1.3
342.04263	0.8
343.02533	1.6
343.10782	1.2
348.61035	1.5
349.10825	6.2
349.60950	2.4
356.05719	1.2
357.61569	7.0
358.11353	100.0
358.61520	37.4
359.11490	6.5
361.04034	0.7
367.06348	0.9
375.08743	0.9
378.62698	2.4
379.13043	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03945	4.1
55.01874	6.2
55.05513	55.1
57.03432	16.1
57.07076	37.9
57.20083	3.5
64.81045	3.7
67.05506	71.9
69.07070	100.0
71.04973	5.1
71.08627	27.3
71.52638	3.7
79.05499	47.2
81.07057	80.3
83.04961	5.1
83.08623	58.0
85.06562	4.5
85.10184	17.7
91.05460	7.2
93.07049	57.4
95.04980	6.4
95.08610	84.9
97.06535	29.1
97.10167	38.6
99.08109	4.5
103.03952	7.2
105.07014	6.3
107.08598	47.0
109.10160	45.7
111.08103	15.0
111.11718	12.4
117.39668	3.4
121.10144	89.0
123.11692	17.1
125.09633	7.2
125.13295	5.5
129.05486	3.5
131.75684	3.4
135.11697	73.6
137.13254	8.4
139.11200	8.3
141.49457	3.6
145.10126	4.2
149.13278	27.7
151.14824	9.0
153.12733	7.3
163.14798	14.2
165.16408	11.1
167.14156	4.8
175.03969	9.4
177.16382	5.2
181.15781	6.1
189.09135	9.7
191.17995	6.2
204.06496	6.1
214.59695	3.6
215.10666	3.9
227.20094	4.1
230.09015	3.9
231.10150	7.5
233.04472	4.2
247.24232	84.3
265.25259	67.8
283.26288	8.1
321.72574	4.1
339.28992	46.1
357.30206	8.4
358.20132	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	357.2998
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03934	4.4
53.88961	2.1
55.05512	58.3
57.03432	16.2
57.07075	32.9
59.05006	2.2
67.05145	3.1
67.05504	63.5
69.03416	2.3
69.07072	81.9
69.54671	16.8
70.06587	11.5
70.07400	3.1
71.04999	3.2
71.08638	23.1
75.04483	3.6
79.05063	3.8
79.05492	36.7
81.07055	73.4
83.04987	4.6
83.08147	4.3
83.08614	54.5
84.08955	2.6
85.06540	5.8
85.10184	14.7
88.07619	9.0
89.07961	2.1
91.05482	4.9
93.07046	55.3
95.04967	2.7
95.08605	67.5
97.06528	25.0
97.10164	37.3
98.59669	2.4
99.08047	2.1
100.22796	2.9
102.09171	3.1
103.03958	6.9
105.07034	4.5
106.08646	7.0
107.08588	41.9
109.10160	37.3
111.08090	11.6
111.11730	11.7
121.10144	70.3
123.11703	13.4
125.09622	7.2
125.13252	3.5
127.11157	3.8
129.05473	3.3
129.09082	3.4
135.11694	59.2
137.13231	3.6
139.11154	6.7
147.11641	3.0
149.13243	27.6
151.14807	7.4
153.12741	5.9
163.14807	10.8
165.16383	6.9
167.14319	4.4
177.16364	6.7
185.15305	2.6
191.17918	6.1
247.24217	72.1
265.25272	51.4
283.26395	3.8
335.20706	3.1
339.28918	40.2
339.34570	7.0
340.29263	2.7
353.21686	3.0
357.25873	8.5
357.30432	5.0
357.35538	100.0
357.40018	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	357.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01860	11.0
55.05510	27.8
57.03425	10.3
57.07075	2.1
60.04525	2.4
61.02923	3.3
65.03928	3.2
67.05505	36.4
68.99782	4.9
69.03429	100.0
69.07065	14.9
70.06593	5.0
71.01346	3.5
71.04998	10.7
72.08147	3.9
73.02917	2.9
79.05485	22.2
81.02933	2.2
81.03419	36.5
81.07054	36.8
81.26470	1.6
82.36789	1.6
83.04980	27.0
83.08623	3.7
84.08136	5.2
85.02899	36.3
85.06542	43.1
86.09702	4.7
87.00838	11.2
90.22929	1.8
91.05473	20.4
93.07035	30.9
95.01325	3.0
95.04960	26.3
95.08614	17.8
97.02892	16.8
97.06531	18.3
97.10136	2.4
99.04469	10.1
99.08082	2.7
101.05996	2.3
103.03951	17.5
105.01863	3.0
105.03381	2.7
105.07024	20.6
107.04921	8.3
107.08594	24.3
109.02875	23.6
109.06519	25.3
109.10153	24.0
110.06059	2.3
111.04448	18.1
111.08073	6.2
113.06027	2.8
113.09615	5.3
115.03890	3.2
117.07030	6.6
119.04938	2.1
119.08559	12.6
120.08080	1.9
121.02827	2.3
121.06492	11.9
121.10149	13.9
123.04422	31.1
123.08070	8.2
123.11718	4.2
125.02341	3.5
125.05968	4.1
125.09630	96.8
126.09938	3.2
127.03924	25.3
127.11256	1.9
128.06229	2.5
129.01834	2.8
129.05453	2.2
129.06989	4.6
131.08582	10.4
133.06490	5.8
133.10126	11.0
135.08083	12.9
135.11678	6.8
137.05974	8.4
137.09613	7.8
139.03908	3.9
139.11209	14.2
141.05499	4.2
141.09096	2.3
143.08589	5.2
145.06512	4.1
145.10114	7.7
146.05994	2.0
147.08051	6.3
147.11681	7.1
149.06044	2.1
149.09605	19.5
151.03905	5.6
151.07523	7.8
151.11183	16.0
153.05396	3.8
153.09077	3.9
155.10638	10.9
157.10146	3.0
157.12273	1.8
159.02904	4.1
159.08099	6.0
159.11685	3.2
161.05971	3.0
161.09601	3.5
163.07561	2.8
163.11212	6.9
165.09077	4.5
165.12787	2.3
167.10692	20.2
169.12195	5.0
171.11710	3.3
172.03920	2.3
175.07573	5.9
175.11171	7.6
177.09103	5.6
177.12729	2.4
179.07076	4.1
179.10645	5.2
185.11725	10.7
189.03938	2.8
189.12776	5.3
191.10825	2.7
193.12212	5.4
195.06523	4.0
195.10144	4.8
195.13757	1.9
199.11150	5.0
204.06604	3.8
205.12292	2.5
207.06625	2.5
207.13832	5.8
211.13480	2.9
213.03897	3.0
217.12180	14.1
223.13303	1.9
235.13303	23.9
253.14275	10.1
321.13358	4.9
339.14365	11.6
357.07980	4.6
357.15616	19.7
361.17816	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2997
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05513	67.8
57.03434	12.8
57.07080	38.1
65.73495	6.2
67.05249	6.4
67.05511	73.6
69.07069	100.0
69.66666	7.3
70.06603	11.6
71.08613	24.6
75.09672	6.7
79.05495	56.5
81.07058	87.5
83.04981	7.5
83.08617	67.4
85.10178	22.2
88.07613	7.5
88.49842	7.7
91.05462	10.8
93.07045	65.8
94.11918	6.2
95.08610	75.6
97.06510	33.1
97.10154	47.5
103.03946	11.9
105.07025	14.9
107.08576	53.5
107.44592	7.1
109.10155	42.8
111.08069	18.4
111.11697	8.1
112.02709	7.0
121.10141	77.8
123.11688	12.4
125.09538	8.1
131.08554	7.9
133.10054	8.6
135.11688	67.3
140.93350	7.4
145.10306	7.9
149.13234	29.4
151.14774	12.0
163.14822	17.4
177.16394	9.2
247.24158	64.0
265.25232	62.8
269.41272	7.1
279.71689	7.2
339.29016	45.3
357.30026	9.0
357.35483	53.0
358.36850	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	357.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10168	0.2
53.03947	0.6
55.01872	1.0
55.05507	0.7
57.03437	0.2
65.03936	0.9
65.66755	0.2
67.05495	1.3
68.99780	0.2
69.03418	1.2
69.07062	0.5
70.06573	0.4
71.04990	1.1
71.51927	0.3
73.02916	0.2
77.03950	0.2
79.05501	1.5
80.04894	0.2
81.03418	1.9
81.07059	2.1
83.04968	0.5
83.08596	0.4
84.04484	0.2
84.08134	0.5
84.83038	0.2
85.02888	1.1
85.06527	0.9
85.61603	0.2
86.09724	0.2
87.04491	0.3
89.03912	2.3
91.05472	2.0
92.05025	0.3
93.07047	1.7
94.06559	0.5
95.04972	0.8
95.07342	0.3
95.08606	2.0
96.08127	1.0
97.02882	0.6
97.06528	3.7
97.10146	0.2
99.04461	0.6
103.05463	0.3
105.03420	0.3
105.07039	0.8
107.04951	0.6
107.08575	1.3
108.08135	1.0
109.02892	1.5
109.06523	1.0
109.10146	0.8
110.09696	1.4
111.04453	0.3
111.08120	0.2
115.05442	0.3
116.04979	10.2
117.02478	0.2
117.05227	0.2
117.07006	0.4
119.04948	1.4
119.08578	0.4
120.08079	1.1
121.02839	0.3
121.06519	0.5
121.10146	0.7
122.06018	2.3
123.04450	0.4
123.06771	0.2
123.08050	0.4
125.02371	0.2
125.09637	0.4
127.03936	1.7
129.06915	0.2
131.08551	0.3
132.04483	0.3
133.06502	0.2
133.10114	0.3
134.06081	0.9
135.04436	0.3
135.08009	0.3
135.11681	0.6
136.07573	2.5
137.05980	1.8
138.09116	1.2
143.08589	0.4
144.04445	19.4
145.05019	0.4
146.05998	0.8
147.04411	1.2
147.11681	0.4
148.07570	0.7
149.09639	0.4
149.13228	0.4
151.03900	0.5
151.07507	0.3
159.11661	0.4
162.05498	6.3
163.05855	0.3
163.07439	0.2
163.14771	0.8
165.01857	0.7
166.08662	2.3
167.07082	0.5
172.03934	63.3
173.04341	1.6
174.05524	0.5
175.03882	1.0
175.11108	0.3
176.04289	0.3
177.01669	0.4
177.05533	0.4
179.07082	0.2
183.02914	0.4
186.23386	0.2
189.04134	0.4
189.12675	0.3
190.05025	0.7
191.07059	0.3
195.13803	0.9
204.06558	100.0
205.06911	2.8
207.06505	2.6
208.06897	0.5
209.07019	0.8
213.03848	0.4
213.09113	0.3
219.06502	3.6
229.07083	1.0
236.09474	0.3
237.07556	0.5
237.14880	0.5
243.17134	0.2
255.09995	0.3
258.10208	0.2
279.11127	0.2
285.07574	0.4
285.76746	0.2
297.11636	0.3
297.14883	0.3
303.15909	0.4
307.09573	0.2
311.13705	0.2
321.16986	0.6
325.11221	0.7
339.12393	1.8
339.17819	1.1
357.08795	0.4
357.13754	2.7
357.18970	1.7
358.19608	0.3
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	Tomentosanol D
Peak:m/z	Relative Intensity
53.03931	0.7
55.01861	1.4
55.05488	0.4
55.95444	0.3
57.03424	0.6
57.07067	0.4
57.44998	0.4
60.99837	0.3
61.45678	0.3
61.81656	0.3
65.03926	0.6
66.05640	0.4
66.66488	0.4
67.05492	1.3
68.99792	3.9
69.03420	1.0
69.07053	1.5
70.06593	0.4
71.04975	0.6
71.53579	0.4
79.05484	2.6
81.03416	2.3
81.06607	0.6
81.07058	11.4
83.04957	1.0
83.08611	0.4
83.64790	0.4
84.08105	0.4
85.02901	0.7
85.06519	0.4
90.72007	0.3
91.05471	3.2
93.03423	0.4
93.07054	1.8
95.04948	1.2
95.08596	2.1
97.02891	0.6
99.04457	0.5
105.03389	0.5
105.07035	2.8
107.04958	4.7
107.08569	1.1
109.02879	1.6
109.06517	12.4
109.07266	0.6
109.10151	0.7
111.00797	0.8
115.05451	1.2
117.07030	2.2
119.04942	3.8
119.08581	0.7
121.02841	1.6
121.06527	2.1
121.10116	0.5
123.04425	0.9
123.08056	3.2
127.03887	1.2
131.04938	0.7
133.06493	1.1
135.04416	1.4
135.08041	0.9
135.11653	0.5
137.02341	1.0
137.05948	1.5
139.00252	1.1
143.08560	0.4
145.06474	2.9
145.10139	0.8
145.75204	0.4
147.04414	10.0
148.05118	0.5
149.02335	2.8
149.05968	2.0
149.13232	0.5
151.03922	0.7
151.07571	1.6
153.01750	0.6
153.05464	1.4
155.03497	0.4
157.10117	0.7
159.04451	1.7
159.11664	0.7
163.03894	0.9
163.07530	1.6
165.01836	9.5
167.03412	3.6
167.07004	0.6
172.03915	1.2
173.05962	1.5
173.13257	0.4
175.03896	0.5
175.07492	0.5
176.04526	1.3
177.01849	15.3
177.05438	6.4
178.02155	0.5
178.05684	0.4
179.03354	1.7
183.02893	4.9
183.04414	0.4
191.03413	1.8
191.07071	2.7
195.02882	1.0
195.06525	4.0
197.05925	0.4
201.05460	4.0
204.04179	1.2
204.06599	1.2
204.85144	0.4
212.36000	0.4
219.06523	100.0
220.06854	3.5
229.08667	0.6
230.08913	0.9
237.07547	12.6
237.54863	0.4
285.07571	5.4
290.45486	0.4
297.11172	1.1
307.09409	0.5
313.10818	0.4
339.12268	45.2
340.12592	3.0
357.13284	19.2
357.24106	0.8
358.13541	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.133
Annotation	Tomentosanol D
Peak:m/z	Relative Intensity
51.14373	0.5
53.03921	0.7
55.01860	1.2
55.05497	0.9
63.17987	0.4
65.03931	1.2
67.05487	1.4
68.99786	3.2
69.03403	1.4
69.07070	0.8
71.29408	1.1
71.49430	0.4
79.05489	2.6
81.03427	2.3
81.07055	10.2
83.04961	1.0
84.08129	0.5
85.02911	0.7
91.05472	3.5
93.07022	2.3
95.04955	1.2
95.08610	2.3
97.02921	0.6
105.07014	2.0
107.04951	3.7
107.08627	1.0
109.02885	1.3
109.06519	10.3
109.94466	0.5
111.00783	1.1
111.04475	0.6
115.05457	1.2
115.72785	0.5
117.07004	2.0
119.04944	4.9
119.08581	1.2
121.02860	2.3
121.06505	2.6
121.10132	1.0
123.04417	1.1
123.08047	3.2
123.70349	0.4
127.03902	1.2
129.07025	0.7
129.10223	0.7
131.05006	0.5
131.08575	0.7
133.02904	0.6
133.06430	1.4
133.10146	0.9
135.04390	1.1
135.08067	0.8
137.02374	0.8
137.05943	2.9
139.00250	1.0
145.06477	3.0
145.10098	1.1
147.04402	10.1
147.11697	0.9
149.02306	2.1
149.05962	2.8
149.13239	0.8
151.03845	0.7
151.07532	2.5
153.01833	0.7
153.05444	1.1
155.08472	0.7
157.06477	0.8
157.10117	1.1
159.04442	1.4
159.11652	0.7
161.09628	0.6
163.03903	0.9
163.07552	0.9
165.01837	10.2
167.03430	2.1
167.07089	1.0
171.11639	0.6
172.03954	1.1
173.05966	1.6
175.07489	0.6
176.04646	1.0
177.01849	13.2
177.05452	7.7
179.03362	1.8
179.08556	0.5
181.10088	0.6
183.02925	4.6
183.07956	0.6
185.13287	0.5
187.14864	0.9
191.03360	1.8
191.07042	3.1
195.06485	4.8
195.11690	0.5
201.05435	4.0
204.04175	1.3
204.06586	1.7
209.07117	0.7
219.06528	100.0
220.06888	3.1
237.07515	11.3
237.09637	0.6
247.07405	0.5
285.07565	6.2
286.07227	1.1
297.11191	1.8
307.09656	0.7
339.12268	46.9
340.12653	2.9
357.08893	1.1
357.13303	19.3
357.17508	1.1
358.13199	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0967
Annotation	11-hydroxy-O-methyldihydrosterigmatocystin
Peak:m/z	Relative Intensity
57.07060	0.4
64.75699	0.3
67.05477	0.4
68.99783	2.6
69.03414	0.4
69.07036	1.0
69.23350	0.5
69.23693	3.4
71.04965	0.3
71.31869	0.3
74.92844	0.3
79.05494	0.4
81.03402	0.6
81.07035	1.1
85.02894	0.5
91.05466	1.3
93.07037	0.7
95.01341	0.4
95.08608	0.5
96.68668	0.3
105.06992	1.1
107.04968	0.4
107.08582	0.8
109.02843	0.5
109.06477	0.3
109.10151	0.6
114.60947	0.3
119.04140	0.4
119.04940	6.7
119.08569	0.4
120.05615	0.4
121.02874	4.0
123.00812	1.0
127.03879	0.6
133.10080	0.6
139.00269	4.6
143.08530	0.4
145.10051	0.6
147.04364	0.6
147.11670	0.6
151.00204	0.4
151.03818	0.3
157.01303	0.3
157.10089	0.5
159.04413	0.3
159.11658	0.4
165.01808	0.8
168.00529	0.5
169.01337	4.4
172.03947	0.5
183.02867	0.7
186.01627	0.6
195.04399	1.0
201.09109	0.3
204.06529	0.9
211.03932	0.5
213.05492	0.5
219.06511	0.8
229.05153	0.3
234.05298	0.3
237.09058	0.3
241.04950	0.8
245.04340	0.5
257.04453	12.7
259.05984	0.4
269.04517	0.5
285.03940	11.5
286.00052	0.5
286.04709	25.0
287.05493	76.5
288.05893	1.7
299.11832	0.4
339.08694	0.7
357.09680	100.0
358.10019	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	357.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01862	2.6
55.05499	3.7
57.03438	4.2
60.04501	1.1
60.94150	0.9
61.02912	1.3
64.41789	0.8
66.63759	0.8
67.05501	6.2
68.99786	2.3
69.03428	11.6
69.07061	3.5
70.06596	8.2
70.87755	2.1
71.04642	0.9
71.04991	4.2
72.08150	2.8
74.06070	0.9
79.05495	3.4
81.03418	9.7
81.07057	6.5
83.04966	3.6
84.04501	1.9
84.08156	4.8
85.02905	8.5
85.06528	2.3
86.09717	6.7
87.00825	1.6
91.05473	4.7
93.07037	5.6
95.04977	4.7
95.08603	2.7
97.02869	4.5
97.06502	4.3
99.04453	3.9
99.08106	1.2
103.03909	2.0
105.03398	4.3
105.07038	5.8
107.04930	2.4
107.08576	3.3
109.02874	12.8
109.06515	4.2
109.10148	4.0
110.07176	1.3
111.04443	2.7
111.08092	1.7
117.07034	2.0
119.01929	1.2
119.08574	3.4
120.08143	1.7
121.06515	3.7
121.10142	2.8
123.04421	3.1
123.08079	2.1
123.11752	1.1
124.07545	1.2
125.02335	1.2
125.06061	0.9
125.09617	3.1
127.03915	10.5
129.01851	1.3
129.07018	1.0
129.10284	1.1
131.08556	2.8
133.06462	2.5
133.10136	2.6
135.04396	1.3
135.08051	1.0
136.07620	1.1
137.05916	2.0
143.08511	1.2
145.10117	2.1
147.04413	1.1
147.08026	1.3
147.11664	1.4
149.09619	4.5
151.03911	1.1
151.11197	7.6
153.05510	1.0
157.10085	0.9
159.08066	1.1
159.11708	1.2
161.09628	1.8
163.11214	1.7
165.01843	1.0
165.09212	1.0
167.07024	1.3
171.02895	1.4
172.03947	1.6
173.05937	1.1
175.07489	1.2
178.05040	3.0
179.10670	1.1
181.12300	1.0
185.70016	1.0
187.07562	0.9
189.05481	1.2
189.12729	1.0
193.12094	1.1
195.06461	2.0
195.14027	1.0
199.11165	1.3
201.05501	1.3
201.92191	0.9
204.06546	2.1
207.06546	1.9
211.07486	1.1
213.03911	1.3
213.09196	1.1
217.12206	3.3
219.06554	2.5
221.05096	1.6
225.07719	1.3
227.10712	1.9
232.69623	0.9
233.08145	1.8
235.13307	3.6
237.03915	3.3
243.10135	1.1
253.10422	0.9
255.06303	1.0
255.10220	1.1
261.07703	2.2
267.06671	1.0
269.11722	1.3
269.15375	1.3
271.11548	3.3
273.07501	1.4
291.08578	1.6
295.11530	1.0
297.11353	1.4
297.14767	1.8
313.12573	21.5
321.09705	1.1
323.13116	0.9
339.14465	3.8
357.11563	100.0
358.11975	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	47.1
57.12746	1.3
57.91607	1.2
66.38542	1.3
69.83298	6.8
70.44550	1.2
73.20292	1.2
81.03412	1.9
84.96034	39.7
93.34803	1.4
98.97581	42.8
100.99107	1.6
102.97020	3.7
109.02835	1.9
110.97579	6.7
112.99078	3.5
116.97859	1.9
116.98609	20.7
119.01834	1.9
119.53025	1.3
124.99114	16.3
128.98599	6.7
131.00162	11.9
134.99670	6.5
136.98969	1.6
139.00566	1.9
140.98662	6.1
142.99107	2.5
143.00156	33.3
144.97186	1.3
144.98090	14.4
145.03427	2.9
146.99580	5.6
149.01207	22.3
152.42928	1.2
153.02293	1.2
154.93137	2.4
155.00153	6.2
155.01205	1.2
156.97432	6.8
157.03320	1.3
158.99651	8.6
161.00012	2.1
161.01213	28.1
162.99156	13.0
167.02261	6.4
170.66298	1.4
172.02811	1.8
172.94235	3.6
173.01250	6.3
174.98436	4.7
176.99643	1.4
177.00925	15.8
179.02203	3.4
180.94687	3.6
181.00093	1.7
182.99789	10.5
183.01305	1.9
185.01158	2.3
185.50566	1.2
187.02750	2.1
189.00719	2.6
190.95303	3.1
191.02214	3.5
194.98965	3.0
197.97504	1.2
198.95850	8.0
198.98535	8.2
199.80661	1.4
201.00783	22.6
203.02328	6.2
206.96327	2.0
212.97398	1.4
212.99997	6.6
214.95277	1.7
215.02315	3.9
216.96790	1.8
217.03979	6.5
219.01984	26.0
222.95737	2.1
224.97235	4.0
226.95227	1.6
227.02560	7.2
228.96729	3.9
229.03906	3.9
232.96332	1.4
240.96861	10.3
242.98549	6.2
243.02063	7.0
245.03615	11.3
246.03557	1.9
246.95642	3.5
246.97922	3.2
251.02399	5.5
253.03923	5.5
254.98294	1.6
261.03015	6.7
264.96893	13.3
269.03543	49.4
270.03564	1.6
271.01376	1.8
271.04657	1.6
272.94675	1.3
274.97443	1.6
282.97946	52.7
287.04611	14.1
292.05005	1.8
296.99234	7.9
297.02826	3.7
300.95636	2.3
300.98767	40.6
301.01651	18.8
305.99411	3.1
320.99161	1.8
324.00189	1.8
333.01248	4.1
333.04922	14.0
339.00464	3.0
342.97797	1.5
351.05948	4.4
357.01303	62.2
358.01636	1.8
375.02335	100.0
375.06210	22.1
376.02585	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	356.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.1
54.21864	0.7
55.01867	0.8
55.05491	1.5
57.03423	1.6
59.04991	1.4
59.98226	0.7
60.04514	1.5
61.02922	0.9
65.03944	0.9
67.05497	6.7
69.03425	5.8
69.07030	1.2
70.06596	7.5
70.89408	1.1
70.89756	1.7
71.01409	0.7
71.04987	2.7
72.08153	27.1
73.06474	0.8
79.05487	2.3
81.03416	7.3
81.07045	1.6
84.04510	1.7
84.08141	3.7
85.02899	7.7
85.06538	1.5
86.09708	6.7
91.05424	1.2
93.07029	1.1
95.04972	13.0
95.08571	0.8
97.02897	4.3
99.04427	1.2
105.03390	100.0
106.02965	0.9
106.03709	1.4
109.02877	4.8
110.07137	1.2
113.06020	1.3
119.04961	1.2
120.08125	1.4
121.02886	2.1
122.06020	1.9
124.03967	1.3
127.03893	3.8
127.07552	8.8
129.10262	1.6
131.08560	0.9
133.10060	0.9
134.05980	1.4
137.05998	0.9
145.04985	1.3
151.03946	0.9
153.05545	0.7
166.05026	1.4
166.12285	0.8
168.06567	0.8
173.08084	5.5
176.07018	0.8
176.10701	12.1
177.01672	0.9
177.05536	1.2
178.05843	1.3
192.03763	1.0
194.08170	4.1
194.11763	78.8
201.05525	0.9
202.05785	0.8
207.12474	0.9
209.06935	1.1
220.03156	1.7
282.08524	1.2
294.05115	0.8
295.05438	4.2
296.06082	0.8
310.07941	2.6
338.07401	15.9
339.07672	1.6
356.08386	7.4
356.12164	0.9
356.21082	1.7
356.29218	1.4
357.08133	1.1
357.11966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.4
58.06605	14.1
59.48397	0.9
60.04509	2.9
66.54644	0.9
67.05489	1.2
69.07070	38.2
69.83781	2.7
69.84172	2.4
72.08154	10.8
84.08138	4.8
91.05452	1.1
97.10146	2.1
100.07594	2.6
119.04929	1.1
131.04918	3.7
147.04407	4.4
149.52321	1.0
155.08546	1.4
157.11578	0.9
159.04425	13.2
163.03851	1.1
173.05945	3.6
175.03908	49.7
183.08072	1.4
187.03905	26.5
187.07559	4.3
189.05421	2.9
201.05429	5.4
203.23058	0.9
213.05467	26.3
214.06313	1.0
215.21228	1.0
227.07024	1.2
228.07846	15.9
229.08594	100.0
230.08925	2.7
231.10109	1.8
241.08681	2.4
246.11264	26.0
247.09613	15.8
247.11758	1.3
258.11090	1.0
259.09558	1.2
288.12289	46.1
289.12720	2.1
356.18564	41.4
357.18765	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	356.3522
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
53.03930	0.2
54.09483	0.3
55.05514	10.0
57.07079	2.0
58.06583	0.9
62.06056	0.3
67.05492	0.9
68.05026	0.3
69.06694	0.3
69.07068	8.0
70.06593	12.6
71.08627	0.7
71.42673	0.5
74.06073	0.6
81.07066	0.5
83.08624	3.9
85.10176	0.3
87.50027	0.3
88.07632	17.2
95.08604	0.4
97.10193	1.9
102.09187	4.2
105.03481	0.3
105.09958	0.2
106.08669	8.2
128.48778	0.3
159.04498	0.3
173.05975	0.5
198.13712	0.3
201.05515	1.2
210.59091	0.3
255.10123	0.3
273.11203	1.1
294.31662	0.3
312.32541	0.8
338.34155	5.8
356.35226	100.0
357.16846	1.4
357.35519	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01860	5.4
57.03449	6.2
60.04533	1.8
61.02920	5.6
67.05476	1.7
67.86924	1.1
68.99779	2.7
69.03428	39.0
70.06583	10.2
70.37827	1.1
70.58714	3.9
71.04974	5.0
72.08147	2.7
73.02927	6.2
73.04748	1.3
73.06544	13.5
75.70067	1.2
81.03413	24.9
84.04491	3.0
84.08146	7.0
85.02905	100.0
86.09698	3.7
87.00829	46.3
87.04479	1.5
91.03924	1.7
91.05815	1.8
97.02891	30.0
99.04437	9.2
105.01863	85.8
105.03377	5.6
106.03727	3.0
109.02880	30.9
110.06062	1.3
110.07151	3.3
115.08665	1.2
116.07066	1.9
117.01817	1.6
118.06559	1.4
123.02946	1.5
124.03925	1.6
127.03910	63.6
129.01848	2.7
129.10234	3.3
134.05971	1.3
136.07568	3.3
145.04959	27.0
146.06021	3.7
147.02844	1.9
151.03870	2.9
153.05440	2.7
159.02904	10.3
159.04057	1.9
165.05589	1.2
166.05042	8.0
168.86525	1.6
176.03494	1.8
176.07034	2.8
177.05493	3.2
177.11183	1.2
180.07832	6.5
189.03969	2.1
191.03380	1.1
194.04391	11.5
194.08177	1.4
199.09613	1.7
213.03943	2.6
231.04985	17.5
249.06175	6.8
272.14645	2.1
272.89273	1.3
286.00903	1.2
287.62198	1.2
356.07050	1.6
356.13144	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	356.1488
Annotation	(+)-Eschscholtzidine N-oxide
Peak:m/z	Relative Intensity
52.33278	0.6
54.09835	0.6
54.25203	0.6
56.07087	0.6
66.29176	0.6
69.07047	1.6
70.13573	2.7
74.27887	0.6
79.05470	0.7
81.07060	1.0
85.06509	0.6
88.97109	0.6
105.38534	0.6
110.41817	0.7
119.64310	0.6
165.31464	0.8
222.05495	1.2
226.04897	1.9
226.08542	0.7
228.06467	1.6
240.06554	3.6
242.08118	1.9
243.05295	0.9
244.06053	2.5
252.06453	0.9
256.06030	14.3
257.06555	1.2
258.07632	1.9
265.07330	2.5
266.08133	4.5
267.05148	1.0
268.05988	10.3
269.06662	1.5
270.07605	13.5
271.08319	3.7
272.09338	0.9
278.08087	0.9
280.06201	1.8
280.09677	1.8
282.07626	16.1
283.08310	3.1
284.09189	2.6
292.09662	6.4
294.07623	3.1
294.10571	0.9
296.09238	0.8
298.10828	0.9
306.11237	5.9
308.09146	15.4
309.09421	0.8
310.10776	2.1
322.10825	1.0
323.11563	1.7
324.12274	20.4
326.10233	1.9
338.13812	2.6
338.55786	0.7
356.14908	100.0
357.15240	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	356.1492
Annotation	(-)-Marshmine
Peak:m/z	Relative Intensity
58.43353	0.5
61.57067	0.4
69.07063	1.9
70.08879	2.4
77.13609	0.4
79.05480	0.5
81.07047	2.1
113.62228	0.5
142.58224	0.5
150.05438	0.6
175.03889	0.6
180.70061	0.5
186.71371	0.5
196.07681	0.7
206.62233	0.5
212.07060	2.0
214.08575	1.5
222.05493	1.7
224.06961	1.4
227.05730	1.9
228.06490	2.6
239.09506	0.8
240.06540	7.6
241.07269	1.5
242.08157	8.7
252.06714	0.9
254.08046	0.8
255.05258	3.3
256.06039	7.0
256.09641	2.2
257.06732	1.3
258.07623	4.4
266.08087	1.6
267.05273	1.0
267.08685	0.5
268.06061	2.1
269.06943	0.6
270.07620	88.8
271.08151	5.2
272.09250	2.2
278.08157	0.5
281.06641	0.5
282.07608	8.3
284.09198	4.3
285.09973	6.2
290.08096	0.6
291.08725	0.7
292.09689	2.2
293.06876	0.7
294.07611	1.8
296.09280	0.5
298.10669	0.9
306.11212	2.0
308.09180	8.4
309.09488	0.7
310.10709	0.7
322.10788	0.9
323.11395	1.8
324.12308	2.7
338.13843	7.8
356.14914	100.0
357.15265	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	355.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74472	5.3
55.05506	15.2
55.41514	5.3
57.07064	11.7
58.06597	5.8
62.96367	4.8
65.24994	5.6
67.05511	27.9
68.87748	5.5
69.03413	15.3
69.07089	29.7
71.08637	7.8
71.52932	8.4
79.05471	28.9
79.11058	5.3
81.07059	100.0
83.08607	11.4
91.05489	18.8
93.07056	59.6
95.04955	5.9
95.08606	71.3
97.06538	12.5
97.10162	10.4
105.03400	14.6
105.07039	48.5
106.03699	8.4
107.08610	72.6
109.10171	54.5
111.08028	6.5
117.07024	9.3
119.08585	50.9
121.10149	49.1
123.11671	34.0
125.09629	17.9
131.08583	13.6
133.10126	31.7
135.11700	47.3
137.13293	10.8
138.22623	6.1
138.87344	5.8
143.08580	6.7
145.10139	27.9
147.11700	33.0
149.13258	29.2
157.10208	12.3
159.11710	21.1
161.13261	19.8
162.09103	6.7
163.09492	12.8
163.14807	12.8
173.13315	14.9
175.03857	7.3
175.14761	12.2
177.16360	10.5
185.13257	13.4
187.14865	10.6
189.16306	11.6
191.18011	7.7
194.00032	5.8
199.14844	8.2
201.16367	13.3
203.17867	13.1
215.18008	15.7
217.19601	14.5
229.19617	8.1
233.18867	7.2
239.17935	6.7
241.19604	7.1
271.24100	13.4
281.22446	7.8
295.24051	6.6
308.60562	6.3
337.28894	31.6
355.17227	19.8
355.22205	15.0
355.29883	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1127
Annotation	Papraine
Peak:m/z	Relative Intensity
55.05503	1.1
65.34761	0.5
67.05495	0.8
69.03418	1.1
69.07059	1.7
69.99010	2.5
79.05495	0.8
79.97028	0.5
81.03419	1.4
81.07052	1.7
83.04959	0.7
86.09715	0.9
91.05410	1.0
91.15424	0.5
92.05796	0.5
92.68655	0.5
93.07063	1.3
95.04982	0.7
95.08601	1.2
98.20859	0.8
99.14517	0.5
105.03385	0.6
105.07027	1.4
107.08609	1.0
109.02882	0.7
109.10152	1.2
122.02775	0.9
123.11706	0.7
127.03917	0.7
134.06026	3.8
137.05992	0.7
140.77556	0.5
147.11703	0.7
151.14151	0.6
155.06079	0.6
162.42664	0.5
163.09610	0.6
174.05539	0.7
179.14288	0.5
203.17999	2.1
208.26810	0.5
224.07143	0.5
229.06100	1.7
238.08905	0.7
239.09448	0.7
249.07745	0.8
250.08791	1.2
252.06502	3.7
252.10355	0.9
253.07925	0.6
254.08138	0.9
257.05414	0.8
264.07230	1.0
264.10251	1.5
266.08099	3.2
267.08878	3.6
268.09665	1.0
277.07449	1.2
278.08170	2.4
280.06036	20.8
280.09201	1.1
281.06665	1.6
282.07788	1.1
282.11246	3.0
292.09564	2.4
294.07578	4.7
294.11246	3.9
295.08377	21.2
296.09131	5.2
298.07172	0.7
306.07669	3.2
308.05478	3.8
308.09167	3.2
310.07086	2.8
310.10846	7.9
312.05084	0.6
320.09076	1.0
322.07010	3.6
323.07846	16.1
326.06677	0.8
327.07574	0.6
338.10226	100.0
339.10760	2.2
356.11246	15.2
356.14624	1.0
356.22476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05511	36.0
57.03428	12.3
57.07063	13.2
62.92435	3.0
67.05507	80.5
69.07070	53.0
70.06573	6.0
71.04979	4.6
71.06647	7.1
71.08618	3.4
75.04462	3.4
77.44659	2.7
79.05489	24.3
81.07062	100.0
81.29748	2.7
83.04959	3.5
83.08620	36.5
85.06553	4.6
88.07592	4.1
91.05489	23.4
93.07042	32.0
95.08611	89.7
97.06535	8.0
97.10175	17.9
99.08101	5.4
103.03967	4.1
105.07030	14.5
107.08600	22.6
109.10153	51.6
111.08075	5.8
111.11707	10.2
119.08569	17.3
121.10159	31.8
123.11695	22.7
133.10133	21.0
135.11697	11.8
137.09723	3.4
137.13258	9.4
147.11714	16.2
149.13266	14.5
151.14828	9.1
161.13266	16.5
163.14854	16.7
165.16458	8.7
175.14844	10.0
179.14388	3.9
179.17918	3.9
181.15797	3.5
189.16370	5.5
229.08485	3.7
245.22641	53.3
263.23706	56.8
265.25046	3.3
309.51511	3.2
325.09042	3.4
337.09726	3.9
337.27390	34.8
355.10312	21.5
355.14307	6.6
355.28653	10.4
355.34000	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2995
Annotation	stellatic aldehyde
Peak:m/z	Relative Intensity
55.05504	15.1
57.07069	13.1
59.37328	3.7
63.32008	3.7
67.05501	31.7
69.03439	29.7
69.07069	29.5
69.50513	7.5
69.50921	22.4
71.04980	9.7
71.08620	6.1
72.34476	4.6
79.05504	27.5
81.07066	86.8
83.08627	13.6
90.21922	3.7
91.05437	20.4
93.07037	52.4
93.31284	3.4
95.08609	72.5
97.06519	13.8
97.10171	5.9
98.20796	7.9
105.03377	7.3
105.07035	53.8
107.08603	71.4
109.10165	51.2
111.08099	4.9
111.11717	6.3
117.07008	7.6
119.08572	57.7
121.10156	51.9
121.97207	4.4
123.11707	64.9
125.09644	29.4
127.03742	3.9
127.11194	14.1
128.06117	4.0
128.56532	4.0
131.08588	20.9
133.10136	46.4
135.11705	42.4
137.13274	9.6
139.11194	4.0
143.08548	11.2
145.10123	34.7
147.11688	33.0
149.13272	31.4
151.11189	5.4
155.08667	4.6
157.10139	14.9
159.11707	28.9
161.13295	22.0
163.14830	13.1
168.15443	4.0
168.25607	3.7
169.10120	8.2
171.11710	12.6
173.13307	22.3
175.14799	18.7
177.12814	5.1
177.16457	12.2
183.11671	9.6
185.13303	10.2
187.14781	23.5
189.16342	7.9
191.14331	5.6
191.17937	7.2
197.13211	7.9
199.14784	16.2
201.16388	16.3
203.17992	9.1
211.14906	6.0
213.16429	13.9
215.17993	10.7
217.19437	12.3
227.18031	5.7
229.19568	5.6
231.21031	8.4
239.18031	6.8
241.19461	5.7
243.21251	7.0
253.19386	6.9
259.24210	5.5
267.21173	4.1
269.22461	4.8
271.24255	24.7
281.22763	12.9
283.24387	4.7
295.24124	6.3
297.25531	4.5
337.28952	52.4
338.28909	6.0
355.29941	100.0
356.30472	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	355.2842
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.68497	1.6
53.03951	3.9
55.01884	2.0
55.05270	3.1
55.05515	40.4
57.03433	12.9
57.07072	11.8
67.05506	73.5
69.07070	48.6
69.83842	6.7
69.84253	3.4
71.04993	3.4
71.08627	6.6
78.45818	1.5
79.05498	25.2
81.07056	100.0
82.07371	1.6
83.04991	3.1
83.08620	28.6
85.06562	4.6
85.10169	1.5
89.22137	1.5
91.05479	19.8
93.07043	31.6
95.08605	83.3
96.08937	2.2
97.06503	7.9
97.10177	18.8
98.20856	2.4
99.08080	3.4
103.03970	3.4
105.03397	6.6
105.07026	12.5
106.03727	2.7
107.08589	19.7
109.10159	42.6
111.08088	6.1
111.11717	8.6
113.09621	2.6
119.08591	16.9
121.10136	29.7
123.08082	2.4
123.11700	23.4
125.13292	1.9
129.05521	2.7
133.10118	15.8
135.04506	2.0
135.11707	17.5
137.09650	2.0
137.13239	8.2
141.12766	1.8
147.11710	14.4
149.13254	11.5
151.11136	2.4
151.14844	4.8
161.13258	11.7
162.09181	4.9
163.09503	3.6
163.14828	13.1
165.16389	6.0
175.14790	10.5
177.16438	3.3
178.74855	1.7
179.17973	3.6
189.16423	7.1
193.15924	2.8
217.19510	1.6
245.22641	45.4
245.24983	3.2
263.20813	2.1
263.23709	44.5
281.24725	2.7
337.27386	29.2
355.22275	3.2
355.28293	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	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58148	2.3
53.03931	2.8
55.01868	3.1
55.05508	31.1
57.03438	11.8
57.07080	12.1
59.74507	2.2
67.05135	2.8
67.05505	81.5
69.07067	44.9
69.85625	10.7
71.08624	5.8
79.05495	27.7
81.07056	100.0
83.08626	31.0
85.06520	5.3
85.10169	2.9
89.85009	2.5
90.97866	2.4
91.05453	21.6
93.07047	40.8
95.04975	2.1
95.08612	91.9
95.75333	2.6
97.06530	15.6
97.07069	2.3
97.10179	22.4
99.08104	4.3
105.03368	6.8
105.07047	18.7
107.08595	29.8
109.06515	2.6
109.10155	45.9
111.08059	4.2
111.11722	7.6
114.27207	2.5
119.08582	22.7
121.10142	37.3
123.04397	2.9
123.08125	2.9
123.11705	22.8
125.13243	2.5
133.10123	22.8
135.04387	16.7
135.11644	17.8
137.13268	10.9
139.11217	3.2
143.08598	2.8
147.11690	14.8
149.13252	17.9
151.14807	10.3
153.12810	2.6
157.10117	2.7
161.05992	3.3
161.13266	25.4
162.09109	4.2
163.14833	16.8
165.16409	6.0
173.02200	2.4
175.14845	12.3
177.16360	4.5
179.17973	5.3
189.09067	6.7
189.16394	8.4
207.10191	31.9
218.66702	2.6
239.20897	2.3
245.22668	63.0
245.25008	4.9
263.23724	66.6
281.24615	2.8
283.16931	2.9
313.91824	2.4
337.21484	4.0
337.27350	32.8
355.22348	20.1
355.28198	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	355.2841
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03948	3.2
55.01860	4.9
55.05508	35.9
56.82216	1.5
57.03436	8.8
57.07078	13.3
62.77311	1.6
67.05504	80.4
69.07067	50.2
69.44560	15.5
71.05000	4.4
71.08624	6.3
78.60551	1.9
79.05493	29.1
81.07056	100.0
83.04962	3.1
83.08623	35.9
85.06526	3.0
85.10194	3.0
90.72581	1.8
91.05456	21.5
93.07038	35.0
93.07570	3.3
95.04957	2.6
95.08607	95.9
96.08971	1.9
97.06522	9.1
97.10166	22.6
99.08084	4.3
103.03930	2.5
105.07032	16.1
107.08582	24.1
109.10152	41.7
111.08050	5.4
111.11731	7.6
113.09636	2.1
119.08599	17.3
121.10151	31.4
123.08106	2.6
123.11699	27.1
129.05495	3.4
133.10123	18.8
135.11667	18.0
137.09601	3.7
137.13235	9.7
139.14771	2.0
141.12756	2.9
146.11391	2.0
147.11722	18.0
149.13243	15.1
151.14822	6.9
153.12769	2.1
161.13264	16.9
163.14815	15.6
165.16393	7.1
175.14816	12.1
177.16426	3.6
179.14398	2.1
179.17920	4.1
189.16425	7.9
245.22655	57.2
246.23108	3.4
263.23700	57.1
264.24155	1.9
281.24890	2.6
337.27328	36.9
338.27756	4.2
355.16971	6.1
355.21997	4.2
355.28583	11.3
356.35199	11.6
367.26212	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	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64233	2.3
55.01859	3.9
55.05510	31.9
56.15033	2.3
57.03431	8.8
57.07087	11.5
65.03937	3.5
67.05508	73.9
69.07071	49.7
70.06571	3.0
70.36675	8.4
71.08624	8.6
79.05486	26.0
81.07055	100.0
82.07397	3.8
82.96400	2.6
83.04983	3.1
83.08212	3.0
83.08624	29.1
85.10176	3.8
91.05393	16.2
93.07036	32.2
95.04938	3.5
95.08608	81.7
97.06522	8.7
97.10174	23.9
99.08073	4.9
102.09230	2.6
103.03927	2.4
105.03391	11.1
105.07021	16.8
106.03723	4.7
107.08598	22.0
109.10151	43.5
111.08112	3.9
111.11723	5.7
113.09648	3.6
119.08571	16.9
121.10141	30.1
123.11726	24.1
125.09631	3.2
125.13262	3.1
133.10136	16.4
135.11665	21.3
137.09645	4.0
137.13245	8.1
140.76187	2.3
147.11655	14.9
149.13245	17.3
151.14809	7.8
161.13234	16.5
162.09143	10.8
163.09404	7.9
163.14832	16.5
165.16455	7.8
175.14784	11.0
179.17975	3.6
189.16351	5.6
213.42198	2.4
245.22620	53.0
263.23712	47.7
264.24084	2.8
337.27310	23.9
355.17734	3.2
355.22052	9.8
355.28500	7.4
356.35193	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	355.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05470	0.5
56.96531	0.4
69.07023	0.7
93.07050	0.4
98.21535	0.9
102.55991	0.4
105.03355	0.8
110.03644	0.4
111.04192	2.8
155.88113	0.4
157.44618	0.4
162.09082	0.8
163.09465	0.5
166.16736	0.4
174.97218	0.5
175.03966	0.8
198.02873	10.5
199.40945	0.5
227.03149	24.1
228.03613	1.1
229.08665	0.6
230.01828	2.2
268.07086	3.6
269.07776	1.6
286.08105	20.1
287.08878	61.4
288.09427	2.1
288.12051	0.6
355.06244	3.8
355.15149	100.0
356.15344	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	355.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52276	0.3
55.05517	0.5
67.05501	0.7
69.07073	24.1
70.07829	1.0
77.19696	0.3
79.05495	0.5
81.07068	0.4
89.03938	0.5
91.05434	0.5
95.01343	0.7
95.08601	0.4
101.87308	0.5
105.03410	0.9
106.57896	0.3
107.04962	1.0
107.08588	0.4
129.24016	0.4
131.04951	0.7
134.03629	0.9
135.04428	1.5
145.02831	3.8
147.04390	1.0
149.02332	0.4
161.02333	1.1
162.03101	1.0
162.09074	0.6
163.03911	5.2
173.02354	46.2
174.02719	1.1
175.03929	3.2
187.03909	1.0
189.01796	1.6
191.03365	1.3
201.01807	2.0
203.03484	2.3
207.10100	0.5
215.07079	0.5
217.01328	9.3
218.02130	9.2
219.02899	100.0
220.03256	2.6
231.02910	3.7
287.09137	3.8
352.87375	0.4
355.17410	1.6
355.22147	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.15
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93615	0.6
53.03956	0.8
55.01895	0.7
55.05503	1.3
65.03963	0.8
67.05497	3.2
69.03443	2.3
69.07088	1.0
70.06598	2.9
70.52291	1.5
72.08180	0.7
73.02907	0.7
73.04761	4.6
77.03910	0.6
79.05502	1.0
81.03430	1.0
82.06579	6.6
84.04517	0.8
84.08154	2.1
85.02913	2.1
91.05815	18.4
93.07031	1.3
95.04982	1.1
97.02902	1.2
98.06091	1.9
105.03373	1.1
105.06983	0.6
107.04967	1.2
109.02877	0.7
110.05292	1.3
110.06043	21.4
110.07178	1.3
114.07350	0.6
119.04966	0.7
120.08139	1.2
121.02881	2.2
121.06476	1.3
122.06035	1.8
122.06976	0.6
123.04453	0.6
126.05523	7.7
127.03922	0.8
128.07076	2.1
128.74403	0.6
133.02846	0.6
135.04395	0.7
136.07579	58.3
137.05942	0.8
137.07869	0.7
138.05505	2.7
140.07089	2.2
145.02866	2.2
147.04469	1.1
150.05460	0.8
151.03889	0.8
152.07063	2.7
156.06505	1.4
163.03922	1.4
164.07071	100.0
165.07423	1.3
166.05017	1.5
167.03317	0.7
177.05489	4.3
182.08131	85.1
183.08476	1.3
186.09114	0.8
193.04901	1.7
194.04456	1.0
216.97928	0.7
259.10736	0.7
260.09268	0.8
268.97821	4.3
285.00986	6.1
301.11688	1.8
302.10190	1.5
303.02100	0.8
319.12872	2.9
320.11292	1.6
337.03534	1.0
337.13834	0.9
355.06741	7.3
355.09735	0.8
355.14871	1.9
355.18851	0.7
373.08173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1175
Annotation	Shuterol
Peak:m/z	Relative Intensity
53.03970	1.0
55.01870	0.8
55.05513	1.4
58.06628	0.5
61.53302	0.6
62.77094	0.5
67.05509	1.7
67.30669	0.6
68.99795	3.3
69.03434	0.6
70.06599	0.6
71.52234	0.6
71.52614	0.6
72.08170	0.7
75.89387	0.6
77.03941	0.7
79.05512	4.2
80.65805	0.6
81.07067	6.2
83.04941	0.8
84.08136	0.6
91.05484	2.4
93.07059	1.5
95.04987	2.3
95.08600	2.1
105.03383	1.9
105.07031	2.4
106.03721	1.2
107.04960	100.0
107.08588	1.1
108.05276	0.8
109.06531	5.8
109.10160	0.7
115.05447	1.5
117.07019	1.9
119.04945	6.4
119.08618	0.8
121.02876	9.8
121.06502	2.1
121.10136	0.7
123.04421	1.5
123.08034	1.0
128.06203	0.9
129.07008	0.9
131.04959	1.0
131.08548	2.8
133.06502	1.2
135.04446	4.4
135.07999	0.6
137.05939	0.7
139.03867	0.6
141.06972	0.9
141.12448	0.6
143.08598	1.1
145.06491	4.2
145.10109	0.9
147.04468	1.0
147.11687	0.6
149.02330	2.0
149.05978	1.4
151.03909	1.0
159.04457	0.8
159.08075	5.9
161.05960	0.9
162.09157	1.2
163.03886	3.5
163.07574	1.4
163.09528	0.7
165.01814	1.5
165.07030	1.3
167.03423	1.5
169.06474	1.3
171.04356	0.7
171.08139	0.9
173.02435	2.8
173.06004	2.5
176.04712	1.1
177.01837	8.0
177.05463	3.5
178.00267	0.5
179.03349	0.6
183.08089	1.9
187.03854	1.3
187.07521	8.2
189.05484	2.8
191.03369	1.4
191.07045	2.0
193.08636	4.8
195.06500	1.9
195.08127	0.8
197.05989	9.3
200.04700	2.5
201.05447	2.6
202.07768	1.0
204.04097	0.9
205.08578	0.8
211.07597	1.7
215.07056	14.4
217.04999	2.0
219.06537	70.4
220.06822	1.5
220.08842	1.7
221.04427	1.0
223.07544	0.8
226.06247	2.6
233.08086	2.1
235.11305	1.1
237.07544	0.8
239.07047	6.4
239.10651	1.3
241.04990	1.9
245.09602	3.0
247.07570	0.8
248.08356	2.1
249.09042	1.3
253.08582	0.8
253.12267	2.3
255.06578	0.7
261.07571	7.4
263.10699	8.1
265.08615	1.9
266.05884	3.7
266.09250	3.8
267.06400	1.8
273.03891	1.1
281.11722	43.3
282.12057	1.0
283.05902	0.6
285.00940	1.3
291.09946	1.2
293.08130	15.7
294.08630	1.6
297.03696	0.6
308.10477	4.2
309.11215	69.8
310.11450	2.4
315.05072	5.1
337.10703	26.8
338.11078	1.0
355.11697	42.2
355.18640	1.9
355.22302	1.3
355.26025	0.8
356.11893	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3364
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05518	12.8
56.05025	2.4
57.05795	2.4
57.07082	17.2
58.02964	2.0
58.06604	16.6
60.04531	23.6
63.31044	1.4
67.05504	11.2
69.07069	25.7
70.02964	2.8
70.06598	10.4
70.85564	4.7
71.04978	3.0
71.08630	8.9
72.04512	2.1
74.06055	2.7
79.05495	1.9
81.07055	19.9
82.06585	2.4
83.08620	16.5
84.08141	8.4
85.10180	5.6
86.06057	6.0
93.07045	4.1
95.04955	1.8
95.08607	20.1
97.10169	6.8
100.66584	1.5
105.02728	2.2
105.03397	22.1
105.07042	1.6
109.10146	9.8
111.11716	5.7
121.10156	2.1
123.11674	3.6
162.09140	12.2
173.01604	1.5
173.06927	1.6
268.29993	5.4
294.31607	2.8
307.30148	2.1
308.33258	2.9
326.34125	4.8
336.32632	10.5
338.10217	2.0
354.21829	3.4
354.33646	100.0
355.06662	1.6
355.34042	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	355.1021
Annotation	Scopolin
Peak:m/z	Relative Intensity
53.03924	0.7
53.06276	0.6
55.59971	0.5
62.82600	0.7
69.03426	2.1
69.07059	0.6
70.06583	2.2
70.58854	1.2
70.59167	0.6
72.08157	0.7
72.77554	0.7
73.04736	1.3
79.05475	0.7
81.03418	1.6
81.07025	1.0
82.53886	0.6
83.04989	0.7
84.08126	2.2
84.94113	0.5
85.00715	0.6
85.02879	1.4
86.09707	0.7
88.20467	0.6
89.03950	0.7
91.05470	2.7
92.05787	0.8
95.04964	0.9
97.02914	0.6
105.03380	1.2
105.07031	0.9
107.04913	1.3
109.02856	1.0
109.06527	1.3
119.04922	1.8
119.08550	0.9
120.05273	1.2
121.02847	0.6
122.03670	0.9
122.06026	2.8
133.02852	18.1
133.10103	0.7
136.07523	0.8
137.05974	6.3
145.02849	1.4
147.04378	1.1
149.05960	2.0
150.05513	1.6
160.07565	1.1
161.02322	0.7
165.05467	2.1
170.08055	0.7
172.64069	0.6
175.03897	5.0
176.04256	1.7
177.05437	2.5
178.02620	11.3
188.09146	1.4
193.04962	100.0
194.05334	2.0
201.05478	1.0
207.06540	2.3
208.06801	4.4
355.07281	0.9
355.14172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1174
Annotation	Ephedroidin
Peak:m/z	Relative Intensity
51.44958	0.4
55.01876	0.5
55.05508	0.6
57.39260	0.3
58.29348	0.4
60.16130	0.3
61.60420	0.3
65.03934	0.5
67.05511	1.1
68.99786	1.0
69.07060	0.5
70.08753	1.3
72.51338	0.3
73.04736	0.4
79.01850	3.3
79.05511	0.6
81.03400	0.3
81.07050	1.5
91.05453	0.7
93.07037	0.6
95.04961	0.6
95.08574	0.7
95.28681	0.4
97.06561	0.4
99.08057	0.3
105.03408	2.3
105.07033	0.7
106.02917	1.8
106.03671	0.8
109.10163	0.4
119.04888	0.8
119.08618	0.5
121.02856	9.0
121.03726	0.6
121.06522	0.4
121.10117	0.4
123.11686	0.4
129.06915	0.5
131.08553	0.4
133.10193	0.5
137.05962	0.6
145.02843	0.7
145.06480	1.3
145.10081	0.5
147.11725	0.6
157.06538	0.6
157.10179	0.4
162.09157	1.3
163.03944	1.0
163.09521	0.8
165.01782	0.8
183.02907	0.9
185.05952	0.5
190.08577	0.5
201.05493	3.9
211.03830	0.6
213.05504	4.0
217.04732	0.4
219.06436	0.9
239.03807	0.4
245.18802	0.3
255.06516	1.4
256.07367	1.7
259.06061	1.0
271.06024	0.4
283.06009	54.5
284.06723	6.4
285.00931	0.5
293.08011	1.2
295.06219	0.4
297.07303	0.6
307.05951	3.9
308.06799	0.8
309.07608	0.5
319.09662	7.5
320.10120	0.4
321.07553	5.1
322.08359	4.8
323.08820	0.6
336.06329	1.2
337.10681	35.6
338.10944	1.2
355.11728	100.0
356.07892	0.5
356.12036	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	354.2172
Annotation	Brevicompanine C
Peak:m/z	Relative Intensity
50.98172	0.2
50.98413	0.2
51.02373	0.4
53.03946	1.2
56.31811	0.2
59.70036	0.2
60.67348	0.2
61.28901	0.2
67.12565	0.2
69.99172	1.1
72.08141	0.7
77.03939	0.7
77.13603	0.2
78.59718	0.2
84.08146	1.1
95.04967	1.6
105.03387	100.0
106.03723	1.3
112.11222	0.8
122.06071	0.3
130.37544	0.2
134.06020	6.7
152.07091	0.3
161.10764	1.6
162.09131	83.1
163.09486	1.0
176.10690	5.9
193.13364	0.4
233.16554	0.6
322.79575	0.2
336.20642	0.7
337.19199	1.1
344.61307	0.2
354.21738	58.5
355.22116	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	354.1183
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
52.96254	0.5
55.97749	0.5
56.21314	0.5
69.03478	1.0
69.07114	0.8
70.06320	0.6
70.06660	2.3
72.08221	1.6
75.70379	0.4
80.43887	0.5
81.03460	1.0
83.05047	0.6
84.04532	0.8
84.08215	1.5
85.02987	2.2
86.09758	0.7
87.49226	0.5
91.05554	6.0
94.06618	1.6
97.02952	0.9
98.20811	1.3
105.03451	1.1
115.07611	1.2
118.06548	2.9
119.04939	7.3
120.08184	0.7
121.06509	2.6
122.06027	3.4
124.07675	0.6
127.03962	0.7
128.00314	0.5
129.10251	0.8
130.05035	1.1
130.06612	0.7
132.02129	0.7
134.06119	0.8
145.02885	1.1
146.06001	7.7
146.07060	0.5
147.04424	6.1
150.05489	5.5
162.05528	1.0
164.07045	3.1
174.05507	43.6
175.03899	13.9
175.05641	0.8
175.05911	0.6
177.04152	1.2
177.05461	1.7
190.08611	2.2
191.08958	1.7
192.06548	100.0
193.04965	2.1
193.06912	1.8
196.00945	0.5
201.22079	0.5
207.06525	22.8
250.10704	1.2
354.07660	0.9
354.11429	17.2
354.20749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78857	1.0
53.03936	4.6
55.01880	6.9
55.05499	1.0
57.03422	6.4
61.02932	8.2
67.05496	9.0
67.34409	1.1
68.99773	3.4
69.03431	38.0
69.07058	2.7
69.54234	4.4
69.54642	3.7
70.06590	6.1
70.13139	1.0
71.04980	4.7
72.08155	1.0
73.02927	6.2
79.05482	3.3
80.57923	1.0
81.03420	25.3
81.07034	3.6
83.01351	1.8
83.04966	2.3
84.08123	3.9
85.02905	100.0
86.09711	2.7
87.00828	44.6
87.04440	1.9
91.03941	2.2
91.05444	2.8
93.07022	2.5
94.06561	2.1
95.04974	9.3
95.08614	1.8
97.02888	31.4
97.03505	1.8
97.06525	2.7
98.20846	2.4
99.04449	13.2
105.01865	67.6
105.03380	3.3
105.07018	2.1
107.04935	3.4
108.04456	1.5
109.02882	30.5
112.07607	8.5
117.01844	2.8
119.04920	2.6
119.08556	2.5
124.07592	1.3
126.05447	1.5
127.03915	61.8
128.04262	1.2
129.01863	2.2
134.10591	1.1
136.07567	1.4
137.05975	3.3
140.83105	1.1
145.04959	32.0
147.02843	2.1
147.04413	1.6
159.02896	11.7
163.03967	1.3
165.05458	1.3
167.07031	4.6
168.07327	1.5
175.11099	1.5
177.03885	1.8
179.03325	1.2
180.07829	1.3
189.03957	2.6
191.07014	3.1
192.06459	9.1
193.04961	1.5
201.05447	6.6
207.06503	2.5
213.03848	1.6
215.09088	2.2
228.06641	1.8
231.04990	20.9
233.09923	1.2
234.09753	1.4
240.06569	1.5
248.07642	1.6
249.06055	5.2
256.20282	1.0
258.07675	2.1
262.06250	1.4
262.09305	1.2
277.08823	1.4
290.08850	2.6
307.09921	2.1
310.10870	1.3
322.11557	3.7
336.15506	1.4
354.13547	13.0
354.22797	12.0
355.11887	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	354.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81982	0.7
55.01865	0.8
56.17472	0.8
64.13580	0.7
65.03927	1.8
70.06596	0.9
71.43260	1.0
71.43621	0.9
77.03925	1.0
83.04979	0.7
88.76313	0.7
89.03909	1.0
91.05482	23.2
118.02914	0.7
119.04945	37.3
132.02068	1.0
136.05113	1.0
145.02815	1.1
147.04410	31.9
149.02386	1.0
149.13538	0.8
157.03995	4.0
164.04672	0.8
175.03917	55.6
176.04321	1.2
179.07031	3.5
207.06532	100.0
208.06815	2.2
219.01083	0.9
243.40361	0.9
361.56525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1181
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
52.90554	0.2
53.03929	0.6
55.01865	0.6
55.05482	0.3
56.23602	0.2
57.03430	1.2
57.18057	0.2
60.21903	0.2
61.02925	1.7
67.05494	0.3
69.03431	4.7
70.06253	0.3
70.06594	2.6
71.04976	0.5
71.53173	0.3
72.08145	0.5
73.02924	1.0
79.05470	0.2
81.03419	1.7
82.06466	0.2
84.04477	0.2
84.08123	0.5
85.02902	9.4
86.09697	0.5
87.04452	0.9
91.03945	0.7
91.05457	0.3
93.69033	0.2
94.40549	0.2
95.04967	0.3
97.02892	3.8
97.03489	0.2
99.04440	0.8
105.03375	0.3
109.02858	1.4
116.04964	0.4
119.04944	0.5
120.08111	0.5
127.03918	2.2
134.06001	0.6
137.05988	0.3
145.04927	1.6
145.97116	0.2
146.05998	1.3
147.04417	0.4
156.82092	0.2
159.03174	0.2
160.03882	0.4
162.05496	0.6
175.03893	0.5
177.04211	1.3
192.06546	100.0
193.05193	0.3
193.06854	1.6
201.05486	0.7
207.06532	1.4
230.13710	0.2
252.02350	0.2
285.11243	0.3
354.11768	6.1
354.22867	1.4
354.26743	0.3
355.11880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46635	0.7
51.49757	0.7
65.03928	1.5
69.03426	1.2
69.07055	1.1
70.06573	3.3
70.97702	0.8
70.98028	1.6
72.08138	1.6
77.03922	1.1
81.03403	0.7
83.04958	2.0
84.04491	1.3
84.08133	1.6
86.09695	1.2
91.05472	24.4
95.04970	1.2
97.02911	0.7
103.05437	1.4
104.51720	0.8
105.03384	1.7
107.90816	0.7
109.02894	0.8
109.06453	0.8
110.07136	0.9
119.04939	35.5
120.08099	2.2
129.03331	0.7
129.10237	1.3
130.06560	1.0
130.08594	2.0
132.02054	1.3
135.04349	1.3
145.02827	1.8
146.06058	1.9
147.04407	32.3
148.04698	0.9
149.02374	1.3
150.05467	1.7
152.07109	1.0
157.03934	3.4
158.05971	1.3
159.06949	0.8
164.04681	1.7
172.11252	1.1
175.03911	60.2
177.05411	1.2
179.07018	3.2
182.09706	0.8
183.06766	1.1
188.06990	1.3
189.09154	1.0
198.09190	0.8
200.10693	2.6
207.06526	100.0
208.06871	2.2
214.12259	1.2
216.10213	2.1
222.09209	1.6
226.15842	1.0
228.10210	1.6
230.11745	0.9
242.11754	1.3
248.12805	0.8
254.15411	2.1
264.12262	1.4
278.13916	0.8
282.14914	3.3
294.05142	0.8
300.12967	0.8
300.15924	2.8
316.06244	0.9
318.16904	1.6
336.18130	0.9
337.07104	1.3
354.19028	3.5
354.22958	1.3
355.07852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01870	0.9
55.05511	4.9
57.03437	1.4
57.07063	2.3
65.03921	1.2
67.05508	24.5
68.99786	3.2
69.03439	0.6
69.07068	4.6
69.49440	1.3
69.49855	2.9
69.83660	0.5
71.04989	1.3
76.02086	0.5
77.03909	0.7
79.05495	13.6
81.03417	0.9
81.07056	27.3
82.07433	0.5
83.04976	1.1
83.08630	3.1
85.06533	1.0
91.05475	7.5
93.07047	18.3
95.01335	1.6
95.04969	2.9
95.08607	18.4
97.06548	1.3
97.10166	1.9
99.08086	0.8
105.03377	2.5
105.07034	7.2
107.08595	13.0
108.63564	0.6
109.02912	0.9
109.06551	0.8
109.09467	0.9
109.10157	11.0
111.04388	1.0
111.08096	0.9
115.05473	0.8
117.07018	3.7
119.04950	0.6
119.08581	5.0
121.06511	0.9
121.10144	9.5
123.11705	6.7
126.01064	1.7
129.06964	0.7
131.08575	6.7
133.10120	5.1
135.04462	0.8
135.11678	6.5
137.02356	7.1
137.03378	0.6
137.13240	2.4
141.07007	1.1
143.08556	0.9
145.06496	1.7
145.10124	5.4
147.11700	5.1
149.13264	7.1
151.14752	0.7
157.10135	1.2
159.08159	0.6
159.11696	5.0
161.06015	1.0
161.13271	2.9
162.09146	1.6
163.14827	4.0
165.12769	0.9
173.06010	1.0
173.13263	5.5
175.03940	1.3
175.07520	0.6
175.14853	1.3
177.16376	1.5
182.63623	0.6
183.11739	1.0
187.14825	2.6
197.05930	1.4
201.05482	5.4
201.16475	0.6
203.03366	1.3
207.06519	2.2
215.17969	0.7
219.06508	1.1
233.22704	1.5
243.21091	5.6
261.22150	30.5
262.22455	1.1
279.23135	0.7
292.07321	1.5
295.06055	0.6
299.05511	0.8
309.07568	2.0
311.09155	0.7
321.07776	1.2
323.05478	5.7
335.09140	11.0
335.25830	2.3
336.09366	0.7
337.07059	8.5
338.07816	7.3
352.05560	1.7
353.10181	100.0
353.26999	6.3
354.10440	9.7
354.17273	1.0
354.21667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.67583	1.4
53.03934	2.5
55.05519	16.0
56.23515	1.5
56.53391	1.7
57.03422	3.4
57.07063	6.4
65.03935	3.1
67.05504	88.3
69.07053	13.5
69.51995	7.8
69.52400	3.2
71.04989	1.9
75.04478	1.7
79.05491	47.0
81.07055	86.9
82.07304	1.5
82.37217	1.5
83.04974	1.5
83.08614	7.8
85.06528	2.0
91.05484	20.7
93.07041	59.9
95.04950	2.6
95.08607	70.5
97.10149	2.0
98.21445	3.6
102.52542	1.7
105.07036	17.7
107.07880	3.0
107.08591	40.3
108.55103	1.5
109.09476	2.7
109.10159	40.0
111.08075	1.9
117.07014	10.0
119.08561	14.2
121.10139	34.2
123.11709	15.4
131.08556	18.2
133.10144	15.0
135.11699	22.6
137.09576	1.7
137.13274	9.4
145.10103	14.4
147.11688	11.5
149.13252	21.2
151.14812	2.1
153.12727	1.6
159.11722	16.8
161.13278	9.8
163.14821	13.7
164.14955	1.7
173.13263	15.7
175.14851	3.9
177.16383	5.6
187.14807	10.5
201.16437	1.8
205.15840	2.0
219.17392	1.8
233.22607	4.5
243.21120	22.5
243.23483	3.1
261.22150	100.0
262.22467	4.1
279.23196	6.7
335.25815	8.7
353.26825	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
53.15802	2.4
55.05509	30.9
57.03426	4.3
57.07082	12.2
60.70665	2.3
67.05506	83.4
69.07061	41.2
70.08173	11.6
70.17990	3.1
71.05019	3.0
71.08626	5.6
79.05482	37.5
81.07053	100.0
81.07536	6.0
83.08611	19.0
85.10162	2.4
91.05481	23.2
93.07035	43.1
95.04963	8.6
95.08604	85.2
97.06521	7.0
97.10152	10.4
105.03383	28.5
105.07034	27.7
107.04875	2.8
107.08597	36.6
109.06520	4.0
109.10157	45.8
111.04362	2.6
111.08078	4.0
117.07008	9.2
119.08607	20.4
121.06528	2.9
121.10149	28.2
123.08109	5.2
123.11711	18.5
126.86525	2.5
129.06960	3.0
131.08542	19.3
133.10123	23.8
135.08081	5.5
135.11691	23.1
137.09708	2.8
137.13203	8.6
143.08528	3.0
145.10132	17.0
147.08022	3.9
147.11687	10.4
147.59282	2.9
149.13264	14.3
151.14856	4.4
157.10121	3.6
159.11722	16.8
161.09570	4.0
161.13261	9.7
162.09152	11.3
163.14832	7.8
165.12720	3.7
169.10184	2.8
171.11766	2.9
172.07268	2.5
173.09639	5.4
173.13234	13.0
175.11197	4.9
179.14304	2.6
186.10283	3.1
187.14796	7.8
189.12701	7.9
189.16425	3.8
201.12657	3.9
201.16385	5.5
215.17966	3.3
233.22575	3.5
243.21066	13.3
261.22125	45.4
261.25137	5.2
271.24203	5.1
279.23077	3.2
281.22635	2.6
289.25287	19.4
291.26794	3.1
307.26422	13.6
317.24802	26.5
322.69675	3.2
335.25772	41.2
336.15240	2.8
336.25732	3.5
353.13663	25.9
353.28412	54.2
354.21750	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03947	4.3
55.05509	10.6
57.03431	4.7
57.07072	7.0
65.03937	3.1
67.05505	95.0
69.07059	16.7
69.84013	11.4
71.04987	2.9
71.08633	4.0
77.28654	2.0
77.32594	2.1
79.05491	55.7
81.07054	100.0
83.04978	2.2
83.08610	9.2
85.06518	2.3
86.34635	2.3
87.28521	2.1
91.05473	25.8
93.07040	60.1
95.04977	5.5
95.08607	69.9
97.06521	4.2
97.10174	3.4
97.52962	1.9
99.08112	2.9
105.03388	14.0
105.07014	23.3
106.03723	4.2
107.08601	41.8
109.10147	30.7
117.07001	8.4
118.71557	2.2
119.08557	16.6
121.09303	4.4
121.10134	34.5
123.11707	16.0
125.09650	2.5
131.08591	21.5
133.10130	12.1
135.11688	26.8
137.13237	6.3
145.10135	15.6
147.11656	10.7
149.09692	2.8
149.13263	19.7
151.14825	4.0
159.11691	15.8
161.13243	8.6
162.09158	2.6
163.14830	18.3
173.13249	15.6
175.14896	3.5
177.16420	8.3
187.14813	9.8
191.14363	4.9
201.16325	4.4
218.50636	2.3
233.22659	7.5
243.21098	29.9
261.22144	87.8
279.23138	5.3
335.25906	7.0
353.09985	3.4
353.26700	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27013	1.5
53.03947	3.0
54.46789	1.8
55.05511	14.5
56.11469	1.7
57.03437	3.7
57.07076	6.3
65.03943	3.0
67.05504	87.2
69.07075	12.8
70.02471	4.8
70.02863	3.2
71.04988	3.3
72.41232	1.7
75.04503	2.1
79.05021	3.1
79.05484	44.2
81.07053	92.8
83.08621	7.0
85.06535	4.8
91.05473	24.5
93.07039	65.1
93.07637	2.4
95.04949	3.3
95.08606	70.0
97.06509	2.2
97.10179	3.3
99.08072	2.7
105.07024	20.0
107.08586	36.2
109.10162	38.4
111.08029	1.8
117.07031	12.9
119.08581	15.1
121.10145	34.2
123.11707	18.1
130.63257	1.8
131.08560	17.7
133.10135	14.1
135.11705	27.5
137.13245	6.9
145.10147	10.7
147.11731	9.1
149.13269	19.4
151.14853	2.5
159.11710	16.6
161.13239	8.8
163.14848	11.0
173.13263	17.7
175.14783	3.6
177.16315	3.3
185.29018	1.7
187.14844	9.4
191.66678	1.8
199.62628	2.0
201.16319	3.1
215.17883	1.9
229.82838	2.0
233.22691	3.5
243.21103	21.7
261.22134	100.0
262.22433	2.2
279.23291	2.6
335.25787	6.9
353.26862	30.7
354.26962	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.9
57.03427	6.7
57.07057	5.8
67.05505	95.4
69.07066	15.4
70.02530	8.4
70.02950	8.2
71.04974	5.7
79.05079	3.4
79.05491	35.8
79.45874	3.0
81.06596	6.0
81.07059	100.0
83.08605	9.3
90.77098	2.9
90.81380	3.4
91.05472	16.3
93.07042	52.7
95.04989	3.8
95.08608	82.6
97.06548	6.9
99.08134	3.2
105.07045	15.7
107.08603	32.7
109.10151	36.5
117.07015	10.5
119.08566	14.0
121.10136	27.3
123.08090	2.9
123.11736	22.0
129.90569	3.3
131.08572	25.6
133.10138	14.1
135.11667	25.4
137.13217	4.8
145.10161	18.1
147.11661	11.9
149.13280	20.1
151.14854	3.2
159.11707	10.0
161.13245	8.4
163.14844	13.4
173.13228	16.1
175.14784	4.5
177.16402	4.8
187.14851	12.1
195.98006	2.8
233.22713	4.3
243.21191	16.6
247.88989	3.0
256.89218	2.8
261.22137	95.3
279.23178	7.3
335.25809	12.2
353.26852	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65154	0.9
53.03936	3.0
55.05270	1.3
55.05511	13.9
57.03434	6.0
57.07082	4.1
57.07317	1.0
65.03926	3.3
65.24445	0.8
67.05505	91.4
69.07066	13.5
71.04974	2.9
71.08614	3.2
75.04475	1.3
77.41866	0.8
79.05493	47.4
81.07056	96.4
82.07388	1.2
83.08624	7.6
85.06533	2.1
85.10152	0.8
91.05479	22.2
93.07043	62.9
95.04952	2.7
95.08607	70.1
96.08932	1.1
97.06527	2.7
97.10155	3.2
99.08073	2.7
105.03368	3.0
105.06328	0.8
105.07034	20.4
107.08596	40.8
108.64199	0.7
109.06511	2.0
109.10159	35.8
110.10526	1.1
111.08097	2.6
113.09669	1.4
117.07023	9.9
119.08578	15.4
121.10142	33.8
123.08073	1.7
123.11705	20.9
125.09570	1.5
129.07013	1.0
130.07762	1.2
131.08572	19.4
133.10132	13.4
135.11696	27.3
137.09608	1.3
137.13228	8.9
139.11169	1.0
145.10123	17.0
145.30679	0.9
147.04337	1.0
147.11670	12.1
149.09564	0.9
149.13245	20.7
151.14853	1.7
153.12700	1.3
159.11696	15.9
161.13252	9.7
161.66855	1.0
162.09137	3.0
163.14801	10.2
164.81853	0.7
165.12738	1.4
173.13271	16.0
175.14891	4.5
177.12804	1.0
177.16409	5.3
179.14305	1.2
187.14838	9.3
189.16273	0.9
191.14282	1.2
201.16470	1.9
205.15904	1.6
215.17987	1.0
219.17604	0.9
233.18996	1.5
233.22554	4.2
243.21114	19.0
261.22137	100.0
262.22372	2.7
279.23273	3.9
335.25793	7.0
353.09702	1.2
353.13443	3.7
353.22430	1.2
353.26859	24.1
354.17255	1.9
354.21689	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03945	3.9
55.05515	10.0
57.03426	4.7
57.07071	4.6
65.03915	2.2
67.05505	87.6
69.07072	14.2
70.32908	7.6
70.33267	3.5
79.05495	36.6
81.07056	100.0
83.08593	5.7
85.06529	2.9
91.05487	15.8
93.07045	48.3
95.04951	2.6
95.08604	69.1
97.06511	4.8
97.10142	2.8
98.21445	2.8
99.08067	2.4
105.07027	13.1
107.08582	29.9
109.10145	30.6
109.10848	3.4
116.72644	1.8
117.07030	7.4
119.08570	13.3
121.10146	29.4
123.11700	19.1
129.12395	2.4
131.08582	14.5
133.10123	11.2
135.11694	27.0
137.13239	4.1
145.10104	13.0
147.11670	8.2
149.13251	17.0
159.11668	10.4
161.13248	7.3
163.14801	11.0
173.13287	12.8
177.16451	2.9
187.14861	9.7
209.15231	2.2
233.22614	5.0
243.21086	19.0
253.91287	2.2
254.33488	2.1
261.22159	73.0
262.22549	2.9
279.23199	5.6
335.25842	9.5
353.26944	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03945	1.7
55.01857	0.9
55.05511	11.1
57.03440	5.5
57.07070	4.2
58.89999	0.9
65.03947	2.3
67.05505	88.9
67.33111	0.8
69.07065	11.1
71.04991	1.9
71.08639	1.2
74.49107	0.9
75.04492	1.4
79.05490	33.2
81.07056	100.0
83.04994	1.8
83.08623	6.7
83.49953	0.9
85.06543	2.2
85.10205	1.1
91.05483	17.6
93.07045	51.0
95.04949	2.7
95.08606	65.0
97.06526	2.6
97.10174	2.8
99.08094	1.6
105.07024	13.5
107.08598	29.3
109.06563	1.2
109.10160	34.8
111.08080	1.9
113.09641	1.9
117.07030	6.5
119.08584	12.8
121.10147	29.6
123.08109	1.1
123.11703	18.0
131.08569	17.0
133.10133	14.1
135.11699	24.1
137.09601	1.8
137.13254	6.5
139.11183	1.2
145.10130	10.4
147.11697	9.5
149.09537	1.0
149.13254	13.0
151.11232	1.1
151.14793	2.7
153.12788	1.8
159.11714	12.6
161.13272	6.7
163.14810	10.3
165.12874	1.2
173.13252	13.3
175.14864	2.3
177.12759	1.2
177.16431	3.1
177.48117	0.9
187.14830	6.4
201.16516	2.1
203.03325	0.8
205.15883	1.4
229.40083	1.6
233.22713	3.5
243.21072	18.4
261.22141	79.5
262.22491	2.4
267.02927	1.0
279.23181	6.2
301.97037	1.1
306.50543	0.9
335.25702	8.9
353.09946	1.9
353.13815	2.5
353.26895	20.1
354.13507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03951	2.9
55.05513	12.2
57.03419	6.6
57.07065	3.6
67.05502	92.7
69.07056	10.7
70.15872	5.0
70.16269	5.0
70.93963	2.2
79.05492	41.5
81.07053	100.0
83.08596	6.9
85.06525	2.7
91.05473	22.1
93.06482	4.2
93.07042	53.4
95.04955	3.5
95.08607	71.9
97.05338	2.1
97.06516	3.7
97.10091	2.2
98.20787	2.5
105.07022	14.6
107.08592	36.6
109.06447	2.0
109.10155	37.3
111.08036	2.4
115.57046	2.1
117.07005	9.0
119.08595	12.2
121.10137	31.4
123.11694	19.7
131.08607	17.3
133.10118	10.0
135.11671	26.8
137.13243	7.2
145.10092	12.9
147.11656	7.1
149.13261	20.4
151.14723	4.3
153.12756	2.2
159.11659	11.7
161.13239	7.7
163.14836	12.5
173.13243	14.2
177.16353	6.0
187.14796	11.0
233.22653	3.4
243.21103	18.1
247.35829	2.0
261.22134	75.9
279.23257	7.8
308.17722	2.2
335.25897	6.2
347.27344	2.2
353.26801	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	353.1745
Annotation	CHEMBL1821988
Peak:m/z	Relative Intensity
51.02372	1.1
53.03932	2.0
55.01874	3.5
55.05501	2.5
65.03939	1.2
67.05501	5.6
69.03433	3.3
69.07050	1.9
71.05007	0.8
71.51828	1.0
74.50277	0.6
77.03951	0.7
77.37595	0.6
79.05070	1.1
79.05495	15.4
81.03421	6.8
81.07055	5.0
84.08137	0.8
85.02906	0.9
91.05482	11.8
93.07062	5.9
95.01332	29.4
95.04975	12.5
95.08601	2.5
97.02876	1.6
97.06519	1.9
102.93380	0.6
103.05453	7.0
105.03410	1.6
105.07030	58.3
106.07368	2.1
107.04954	1.7
107.08581	3.9
109.06504	2.5
109.10139	1.3
111.50956	0.8
115.05454	3.0
117.07030	5.9
117.13847	0.6
119.04952	2.8
119.08585	13.7
119.93261	0.7
121.06506	2.3
121.10147	1.3
123.04401	0.7
127.11380	0.6
128.06224	3.3
129.07019	5.4
130.07797	3.2
131.08565	11.7
131.41925	0.6
133.06490	48.6
133.10120	4.0
134.06779	1.1
135.08040	2.6
135.11626	0.8
137.05878	0.7
141.06987	3.1
142.07771	3.4
143.08575	12.4
145.06480	2.8
145.10118	23.2
146.10555	0.7
147.04437	1.6
147.08064	3.6
147.11711	5.8
149.05997	1.9
149.09605	1.2
151.03876	1.5
153.07022	2.3
154.07773	2.0
155.08533	6.9
156.09300	1.7
157.06529	1.7
157.10127	5.5
159.04430	0.7
159.08058	4.3
159.11674	3.7
161.05984	100.0
161.09586	5.4
161.13300	1.2
162.06340	2.6
162.09148	1.2
163.07544	1.2
165.07008	2.0
166.07750	2.0
167.08522	4.0
168.09306	2.1
169.06493	1.6
169.10141	10.2
171.08052	3.2
171.11676	2.9
173.05934	0.7
173.09619	3.7
173.13275	1.5
175.03915	3.5
175.07555	7.9
178.07855	2.0
179.08551	3.4
179.10648	1.6
180.09360	1.4
181.10051	4.4
182.10829	1.2
183.08051	2.0
183.11664	7.3
185.09621	2.8
185.13092	1.2
187.07536	2.7
187.11215	2.3
189.09125	1.3
191.08545	2.4
191.10689	2.3
192.09317	2.0
193.10124	3.8
194.10947	0.9
195.08046	2.9
195.11674	2.7
196.08781	1.1
197.09567	3.1
197.13272	2.8
199.07532	1.5
199.11174	2.1
199.14883	1.3
201.05342	0.7
201.09128	1.6
201.12752	1.0
202.07739	0.9
203.08562	1.6
204.09351	2.0
205.10115	2.3
205.12279	2.2
206.10976	3.8
207.06456	5.4
207.11691	3.6
208.08899	1.6
209.09573	3.7
209.13223	1.7
211.07533	2.7
211.11124	4.9
211.14764	1.2
213.09082	2.2
213.16504	1.2
215.10641	1.1
216.09357	1.2
217.10217	1.6
218.10858	1.2
219.08110	1.6
219.11707	3.4
220.08784	0.8
220.12538	1.0
221.09621	2.1
221.13237	2.7
222.10306	0.7
223.11163	2.9
223.14760	1.6
225.09116	2.3
225.12724	2.1
227.10617	1.7
229.10283	0.9
229.12213	3.0
231.11694	2.0
232.08762	0.9
232.12479	1.1
233.09760	3.3
233.13301	1.8
234.10367	1.0
235.11159	3.2
236.11890	1.1
237.09111	1.6
237.12706	3.1
237.16405	1.7
238.09976	1.1
239.10587	1.7
239.14249	2.2
241.12224	0.9
245.13489	0.9
246.10387	1.7
247.11293	3.1
247.14891	2.4
248.11865	1.2
249.12755	6.3
250.13425	1.0
251.10628	2.8
251.14380	1.5
251.17851	1.5
253.12216	1.1
254.13205	0.8
257.11578	1.5
260.12100	0.7
261.12811	1.1
261.16351	1.5
263.10898	1.0
263.14261	2.5
264.11487	0.9
265.12317	3.1
265.15948	1.8
266.13022	0.8
267.13831	3.6
273.12845	1.2
275.10648	1.8
275.14301	4.7
276.54385	0.7
277.12274	1.3
278.09430	0.8
278.16467	1.3
279.13953	1.2
279.17493	3.7
280.14627	0.9
280.18176	0.7
281.18723	0.7
289.13101	0.7
289.15857	3.7
291.17505	0.9
293.11731	6.0
293.15341	7.1
295.13327	1.4
297.11328	1.2
299.13998	0.8
307.16891	9.7
309.15192	0.9
309.18451	0.8
311.12634	1.7
311.16281	1.2
317.15228	3.1
325.18073	1.4
335.12729	0.6
335.16373	15.7
336.16742	1.6
353.13519	24.2
353.17490	71.8
354.13675	2.0
354.17572	5.4
354.21536	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	5.1
57.03422	0.7
58.51461	0.2
60.04514	0.3
61.02919	0.6
63.06177	0.2
66.04728	0.2
69.03431	1.5
70.06570	0.7
70.32559	1.0
71.04977	0.3
72.08146	0.3
73.02910	0.5
74.06075	0.2
81.03412	0.4
84.08125	0.8
84.96032	0.8
85.02901	4.5
87.04461	0.4
95.04991	0.3
97.02904	1.6
98.97585	6.4
102.96837	0.4
103.05454	0.7
105.03400	0.3
105.07031	0.5
109.02889	0.3
110.07198	0.4
110.97559	0.8
112.99142	0.6
115.05441	2.0
116.98608	2.8
117.04885	0.2
117.05736	0.9
119.01852	0.3
120.08131	1.3
127.03935	0.7
128.98578	0.8
129.10219	0.5
130.06520	0.7
130.51639	0.3
131.00172	0.3
131.04974	0.5
132.08095	4.7
133.05212	0.7
133.06453	0.7
134.06027	1.5
134.99655	0.8
136.07484	0.3
142.06439	0.4
143.00174	0.9
143.07251	0.3
145.05002	0.3
146.05997	0.8
146.99570	0.5
148.07571	41.2
149.01218	0.4
149.07945	0.6
158.99643	1.1
159.06789	0.3
160.07576	100.0
161.01219	0.7
161.07954	2.0
170.05228	0.3
170.99719	0.4
173.02872	0.2
174.99146	0.4
177.00768	1.2
178.04903	0.3
179.00128	0.5
187.40689	0.3
189.00758	0.3
190.08638	0.4
191.03835	0.5
191.11800	9.3
192.06680	0.3
192.12193	0.5
197.01245	2.9
215.02304	1.7
216.98720	0.5
217.18190	0.3
219.01793	0.8
234.99493	0.3
237.02843	0.9
248.99171	0.4
263.06070	0.6
267.00238	1.2
273.38873	0.2
293.05740	0.3
310.12851	12.3
311.12952	0.5
322.12839	17.5
323.13184	0.8
330.07092	0.6
348.08038	0.5
353.01770	0.6
353.17068	20.9
354.17310	0.8
371.02747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
55.05516	2.2
57.03432	0.4
58.62979	0.3
65.03944	1.7
65.56528	0.3
67.05507	0.6
69.03431	15.6
69.07066	0.6
71.01360	3.4
71.04983	1.3
74.35607	0.3
77.03922	1.0
79.05493	0.6
81.07041	0.6
83.04984	8.5
85.02905	2.7
89.03234	0.3
89.03890	0.9
89.16125	0.3
91.05484	27.2
92.05829	0.5
93.07056	0.6
95.04971	0.8
95.08646	0.6
98.21565	0.5
99.04464	0.6
102.00924	0.3
103.05463	0.9
105.03382	1.2
105.07037	0.5
107.04966	0.6
109.02858	0.3
109.06573	0.3
111.04446	9.2
118.04162	0.9
119.04945	38.4
120.05290	0.4
121.02853	0.6
121.10162	0.4
129.03377	0.7
129.05487	2.6
131.04906	0.5
131.49806	0.3
132.02066	1.6
133.02847	0.5
135.04385	0.8
136.05180	0.8
137.05936	0.3
145.02827	0.8
146.03667	0.3
147.04416	34.7
148.04753	0.5
149.02338	1.3
157.03966	3.8
162.03177	0.3
163.03896	0.4
164.04686	1.3
165.06969	0.3
167.07013	1.0
175.03912	53.3
176.04282	1.4
178.02580	0.4
179.07005	2.7
191.07040	0.4
192.04181	1.7
207.06534	100.0
208.06836	1.8
212.20528	0.3
231.97639	0.4
283.06088	1.6
293.10254	0.4
295.06067	0.6
298.89645	0.3
325.10776	0.8
353.12244	5.5
353.20175	0.4
362.96082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43601	7.4
53.03937	13.2
55.01879	10.8
55.05504	15.0
56.05023	11.4
56.96560	20.7
58.06597	7.6
60.04515	11.7
61.02905	6.9
61.15497	8.4
67.05489	18.9
69.03416	41.7
69.07069	84.5
69.58234	53.6
70.06591	73.0
71.04990	8.8
72.08150	51.3
73.02902	7.7
73.08471	7.2
74.06068	18.7
79.05492	11.7
81.03411	32.8
81.07050	20.5
83.06062	9.5
84.04504	23.3
84.08141	60.5
85.02902	65.1
86.09710	43.0
87.00813	16.1
87.08092	71.8
91.05471	43.5
93.07053	15.0
95.04989	20.3
95.06103	7.7
95.08611	16.4
97.02899	19.2
97.06569	10.2
98.97593	31.3
99.04432	9.7
105.01876	18.3
105.03378	47.8
105.09138	33.9
107.04982	9.2
107.08602	13.9
109.02869	32.7
109.06568	8.5
109.10172	9.0
110.06023	9.6
110.07166	28.8
111.04446	15.1
113.06021	9.4
116.07060	18.3
116.96114	8.4
116.98606	25.5
119.04920	46.2
119.08633	9.6
120.08096	42.1
121.02878	14.5
121.06477	9.1
121.08456	13.1
122.06032	14.2
123.04490	11.3
127.03905	42.9
127.08730	10.8
129.10229	27.7
130.05005	11.1
130.06506	12.0
136.07561	18.0
137.06036	7.5
139.03882	11.5
145.04947	10.5
146.06029	15.1
147.04411	72.8
150.05525	17.1
151.03911	10.3
158.99603	10.5
160.07619	9.8
164.07037	8.5
164.38190	7.0
165.05510	12.5
167.07022	10.2
171.04379	13.3
175.03917	45.7
177.05470	34.5
177.12692	8.4
179.03445	13.0
185.07021	11.3
189.08719	12.2
192.06633	20.5
197.01230	23.0
204.06589	23.4
207.06528	100.0
215.02281	17.7
217.05003	10.8
229.09541	9.5
249.07535	24.5
267.00302	9.1
289.11975	17.5
317.11166	10.0
335.12439	36.6
348.95010	8.6
353.01715	9.4
353.13510	36.8
353.17142	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43504	0.6
53.03956	0.7
54.50904	0.5
55.01870	0.7
55.05503	3.2
64.95943	0.5
65.03928	1.3
68.99810	0.7
69.03430	15.9
69.07070	0.6
70.33533	2.0
71.01078	0.4
71.01351	4.4
71.04974	1.6
77.03920	1.1
79.05478	0.9
81.03397	1.1
81.07040	0.9
83.04980	9.1
85.02906	3.9
91.05482	29.3
93.07020	1.0
95.04958	1.0
95.08587	1.3
97.02927	0.8
105.02737	1.3
105.03391	19.5
105.07010	0.8
107.08624	0.7
109.10116	0.9
111.04438	9.8
112.17965	0.7
118.04141	0.8
119.04943	41.0
120.02023	0.8
129.05486	1.1
132.02058	1.4
134.06023	1.1
135.04395	1.1
136.05179	0.6
137.43446	0.6
145.02844	1.5
147.04410	33.7
148.04768	0.9
149.02324	1.9
150.03006	0.7
157.03958	3.5
162.09125	13.3
163.03928	1.4
164.04637	1.6
167.07072	1.4
175.03909	61.0
176.04216	1.4
176.10739	1.6
179.07010	2.5
192.04114	1.7
203.18114	0.6
207.06528	100.0
208.06871	2.1
225.07529	0.7
256.05841	0.7
291.18411	0.7
295.06125	1.3
318.01041	0.6
321.07578	0.6
353.12476	4.3
354.13297	2.1
354.21735	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	353.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01866	0.5
55.05510	2.8
57.03430	0.3
59.04992	0.4
65.03937	1.7
67.05483	0.7
68.23762	0.3
69.03426	15.4
69.07050	0.4
70.06595	0.4
70.77602	0.8
71.01353	3.2
71.04987	1.3
72.08157	0.3
72.24084	0.3
77.03920	0.6
79.05481	1.0
81.03407	1.0
81.07050	1.2
83.04975	8.8
85.02905	3.5
87.56898	0.2
89.03926	0.6
91.05475	27.9
92.05840	0.4
93.07025	1.0
95.04977	0.9
95.08599	0.8
99.04444	0.5
101.06027	0.3
102.11483	0.3
103.05457	0.8
105.03410	2.3
105.07016	0.7
107.04951	0.3
107.08572	0.8
109.02850	0.5
109.10153	0.7
111.03715	0.6
111.04440	7.8
118.04161	0.6
119.04936	34.9
119.08561	0.9
120.05272	0.7
121.02853	0.8
121.06457	0.5
121.10122	0.7
127.03905	0.4
128.06212	0.3
129.03325	0.6
129.05437	2.1
131.04890	0.4
132.02054	1.5
133.02829	0.4
133.10115	0.5
135.04401	0.6
136.05194	0.6
137.06046	0.3
142.07790	0.3
144.00301	0.3
145.02866	0.9
145.10106	0.5
147.04402	30.7
148.04706	0.5
149.02367	1.5
149.13277	0.3
157.03976	2.9
161.69017	0.3
162.03111	0.3
162.09135	0.6
163.03900	0.7
163.11095	0.4
164.04692	1.3
167.07024	1.7
175.03900	48.9
176.04297	0.9
179.07063	2.1
191.03398	0.6
191.06976	1.2
191.08618	0.3
191.10727	0.3
192.04213	1.5
207.06516	100.0
208.06934	2.2
219.02939	0.4
261.09167	0.4
289.08347	0.3
293.10233	0.6
318.10074	0.3
321.11121	0.6
322.75711	0.3
325.10721	0.6
335.08920	0.4
353.13037	4.9
353.20987	0.4
353.24799	0.5
354.10132	0.4
354.21838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.01871	0.2
55.05511	2.2
65.03934	1.3
65.71072	0.2
66.37627	0.2
67.05511	0.2
69.03429	14.0
69.56017	0.8
69.56444	0.6
71.01351	3.5
71.04987	0.9
77.03922	0.8
81.07077	0.4
83.04980	8.6
85.02905	2.7
89.03898	1.1
90.04648	0.2
91.05479	28.3
92.05814	0.2
95.04970	0.5
99.04397	0.2
99.86009	0.2
103.05460	0.8
104.02560	0.3
105.03388	0.8
105.07004	0.2
107.04950	0.3
108.05777	0.2
111.04437	8.5
117.03358	0.4
118.04168	0.5
118.54327	0.2
119.04939	38.2
119.94746	0.2
120.05271	0.6
121.02863	0.6
123.79520	0.2
129.03369	0.5
129.05473	2.0
131.04932	0.4
132.02075	1.7
133.02859	0.3
135.04420	0.8
136.05191	0.6
145.02910	1.0
146.03571	0.3
147.04402	32.0
148.04762	0.7
149.02361	1.6
150.03078	0.3
157.03963	3.3
160.01546	0.4
162.03152	0.5
163.03868	0.4
164.04680	1.1
165.68625	0.2
167.07066	0.4
175.03903	53.4
176.04248	1.2
177.01707	0.2
179.07024	2.9
192.04189	1.8
207.06520	100.0
208.06845	2.3
225.07669	0.4
293.10217	0.8
345.25803	0.2
353.12354	7.1
353.22122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.3
55.05513	2.3
65.03947	1.4
69.03433	14.3
69.86301	1.7
71.01353	3.6
71.05005	0.5
77.03941	0.4
77.39854	0.4
83.04984	9.4
85.02916	2.7
89.03909	0.4
91.05486	24.3
95.05029	0.4
103.05475	0.7
105.03394	1.0
108.89606	0.3
111.03711	0.6
111.04450	8.1
118.04176	0.6
119.04949	34.7
120.05274	0.5
129.03354	0.7
129.05481	2.3
132.02107	1.5
135.04373	0.7
136.05206	0.9
145.02858	0.8
147.04417	30.0
149.02356	1.3
157.03975	2.7
158.88966	0.4
160.01569	0.5
164.04677	1.0
164.50185	0.3
167.07036	0.5
175.03917	53.7
176.04340	1.0
179.07047	2.1
179.08398	0.3
192.04158	1.6
207.06537	100.0
208.06865	0.9
225.07637	0.4
293.10114	0.7
353.12335	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	353.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.7
53.38990	0.6
55.05558	3.2
58.50393	0.5
65.03979	1.1
67.05553	0.7
67.08074	0.6
69.03432	12.6
70.27174	2.0
71.01402	2.6
71.05064	0.7
77.03956	0.8
79.01905	1.6
82.29493	0.5
83.04987	8.5
84.08198	0.5
85.02956	2.4
87.75258	0.5
89.03963	0.7
91.05483	26.5
92.30003	0.5
95.04998	1.3
105.03456	2.4
105.07087	0.6
111.04444	6.5
119.04948	36.8
121.02912	2.6
129.05544	1.6
132.02090	1.4
145.02937	0.7
147.04416	28.0
149.02408	1.3
157.03995	3.3
163.03864	1.2
164.04744	0.9
165.01842	0.7
167.07083	0.7
175.03914	52.0
179.07014	2.8
191.03093	0.6
192.04210	2.0
207.06537	100.0
208.06905	1.7
213.05470	2.1
219.02875	1.0
255.06342	0.6
271.05978	2.6
283.06030	15.1
283.71808	0.7
284.06561	1.2
295.06036	9.1
311.09137	1.3
325.10703	12.3
335.08850	1.1
353.09988	44.2
353.22794	1.8
354.10297	2.3
354.17139	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	353.1018
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
53.03943	0.4
53.40038	0.2
55.05502	0.5
65.03943	0.3
67.05507	1.6
69.07056	1.2
70.76854	0.8
74.50887	0.2
79.05482	1.1
81.03420	0.4
81.07052	2.1
91.05455	0.9
93.07034	0.9
94.72340	0.3
95.01328	0.5
95.04967	3.1
95.08581	1.2
103.41213	0.3
105.03402	0.5
105.07060	1.4
107.04945	0.4
107.08586	0.5
109.10142	0.6
110.90388	0.2
111.04433	0.5
115.05462	0.3
117.06998	0.5
119.04945	0.4
119.08585	0.7
121.02864	9.0
121.10144	0.7
123.04408	0.6
129.06990	0.3
131.08528	0.5
133.06502	1.0
135.04393	0.3
135.11658	0.6
136.54297	0.2
140.69128	0.3
143.08562	0.4
145.06497	1.2
145.10112	1.1
147.04414	0.4
151.03857	0.4
159.11703	0.3
161.05957	2.1
163.32599	0.2
169.10168	0.4
173.05904	0.4
175.03876	0.5
175.07570	0.7
176.04684	0.7
179.03342	1.4
181.10042	0.3
185.05919	0.4
191.03363	0.8
201.05428	2.7
202.02550	0.3
203.03439	1.3
213.05441	0.6
215.06975	0.4
217.01276	0.3
219.06427	0.6
219.08215	0.4
235.07520	0.6
243.21176	0.4
261.22131	0.9
263.07077	0.5
264.07764	0.5
269.07965	0.3
271.06085	0.5
283.05930	0.7
285.07556	0.6
292.07324	1.9
293.08029	0.6
299.05524	1.7
300.16385	0.3
307.16962	0.3
309.07504	0.5
311.05478	1.0
311.09286	0.8
320.06799	0.4
321.07620	1.1
323.05423	1.0
325.06757	0.3
325.10455	0.3
335.09137	10.5
336.09546	0.7
337.07040	8.9
337.11124	0.4
338.07806	5.1
353.10165	100.0
354.10315	5.1
375.06812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1147
Annotation	(-)-Monorden E
Peak:m/z	Relative Intensity
55.05513	7.6
55.54543	5.5
67.05507	36.2
68.22370	5.1
70.92355	11.1
71.04976	7.2
78.13029	5.8
79.05486	23.5
81.07049	52.1
91.05474	8.5
93.07032	24.1
95.08604	26.0
105.07033	11.4
107.08578	15.0
109.06491	9.9
109.10143	16.1
109.24804	5.9
117.06973	7.1
119.08569	7.4
121.10128	18.2
131.08585	5.9
131.15089	5.6
133.10120	12.6
135.11668	10.9
143.08591	7.1
145.10130	14.1
147.11693	9.7
149.13245	8.1
157.10110	19.9
159.11713	14.9
161.13356	8.4
171.11745	6.6
173.09627	16.6
185.13278	10.0
191.10722	7.5
193.66704	5.8
199.11099	9.6
228.06795	6.9
233.13228	6.8
243.21066	12.3
245.15404	10.6
245.18863	6.5
256.05954	12.2
261.22168	21.2
275.17923	9.9
293.19025	10.8
315.35843	5.6
335.20255	9.0
353.11392	100.0
353.21082	32.6
353.24084	30.7
354.13174	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92108	7.9
55.01854	8.5
67.05516	40.3
69.07052	11.0
69.21453	72.3
69.21864	20.8
70.35693	8.0
75.72792	8.1
79.05489	36.2
81.03424	13.9
81.07060	48.0
91.05474	28.5
93.07044	33.6
95.01323	29.5
95.04961	31.7
95.08594	28.4
103.05475	7.9
105.03386	29.1
105.07037	76.5
106.03722	18.9
107.08573	18.0
109.10169	13.4
117.07021	10.9
119.08573	23.4
121.10187	10.9
129.07018	8.4
129.44456	7.5
131.08560	18.8
133.06485	51.9
133.10152	14.4
143.08548	28.5
143.19864	8.8
145.10150	40.4
149.13272	12.8
155.08536	13.3
159.08003	9.8
159.11638	14.5
161.05995	100.0
161.13338	8.6
163.14832	10.0
167.08696	11.3
169.10205	13.4
175.04010	8.0
175.07486	13.5
181.10191	10.9
182.26904	8.3
207.06462	8.8
223.11172	9.7
243.21165	14.9
249.12672	10.8
261.22192	34.7
293.12115	8.6
307.16898	17.5
335.16440	21.8
335.25595	9.7
353.10803	59.8
353.17383	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1018
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
51.18254	0.2
55.01870	0.2
55.05506	0.4
65.03931	0.2
65.98766	0.1
67.05489	0.4
69.03413	0.5
69.07076	0.3
69.24948	0.4
69.25358	1.1
79.05473	0.4
81.07038	0.5
83.04967	0.4
85.05112	0.2
91.05488	0.9
95.04942	0.5
95.08597	0.3
98.21563	0.4
101.35098	0.2
105.03374	0.3
105.07032	0.4
107.08566	0.2
111.04407	0.3
115.33459	0.2
115.34476	0.2
119.04962	1.3
119.08495	0.3
121.02867	1.7
131.08574	0.2
143.08574	0.2
145.02875	0.2
147.04379	1.0
175.03854	1.2
177.01804	0.6
179.03429	0.2
191.03372	0.2
191.06956	0.2
201.05487	0.3
207.06531	2.6
235.05878	0.3
255.06688	0.2
256.07257	0.3
267.06442	0.3
283.06033	0.6
284.06793	0.7
292.07385	0.3
295.06006	41.2
296.06281	1.7
297.29410	0.2
299.05453	0.2
311.09036	0.7
321.07483	0.6
323.05255	0.5
325.10736	0.6
335.09155	3.3
336.09735	0.5
337.07025	3.6
338.07794	2.3
353.10178	100.0
354.10504	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	353.1015
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
55.01867	0.5
55.05513	1.3
68.99787	0.3
69.07036	0.4
69.70641	1.3
79.01849	2.9
79.05480	0.4
81.07067	0.3
83.04961	0.4
83.87787	0.2
91.05489	1.2
91.39899	0.2
93.07019	0.5
95.04955	0.3
95.08617	0.3
105.03403	1.2
105.07081	0.3
107.04932	0.2
109.10195	0.2
111.04428	0.4
119.04947	3.0
119.08536	0.2
121.02863	5.9
124.01579	0.3
131.04904	0.3
137.02287	0.3
141.01775	0.3
145.02849	1.2
145.06491	0.5
145.10173	0.2
147.04364	1.2
153.01828	0.5
157.06473	0.4
158.24783	0.2
162.09131	0.5
163.03923	0.8
165.01817	0.6
175.03894	1.6
177.01804	0.3
178.99742	0.9
181.01312	2.1
183.02869	0.9
185.05978	0.5
187.03957	0.3
189.05457	0.3
197.00812	1.8
197.05951	0.3
207.06538	2.9
211.03978	0.3
213.05437	4.0
217.04951	0.8
233.68753	0.2
235.05922	0.4
241.05049	0.3
242.05759	1.1
248.22025	0.2
255.06555	1.1
256.07330	0.7
259.06067	1.1
269.04529	0.4
270.05276	1.8
271.05991	5.2
283.06003	36.1
284.06564	4.3
285.07098	0.3
292.07367	0.3
293.08133	1.2
295.05997	20.3
296.06317	0.9
297.03928	3.3
297.07547	0.8
298.04434	0.3
299.05569	1.3
307.05862	0.7
307.09686	1.2
309.07651	0.5
311.05789	0.4
311.08951	1.6
321.07190	0.4
322.08359	0.6
323.08984	0.4
325.10687	23.2
326.11035	1.5
335.09116	3.5
353.10172	100.0
354.10516	5.3
354.17114	0.3
354.21423	0.3
364.36945	0.2
367.89822	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1019
Annotation	Subelliptenone C
Peak:m/z	Relative Intensity
53.03951	0.2
55.05491	0.4
56.96565	0.3
64.68082	0.2
65.03949	0.2
67.05509	2.2
68.99514	0.2
68.99791	2.9
69.07056	0.2
70.02177	1.1
79.05490	1.1
81.03419	0.4
81.07056	2.8
83.08649	0.2
87.94040	0.2
91.05474	0.9
93.07053	1.2
95.01347	0.3
95.04950	0.3
95.08626	1.7
105.07014	1.2
107.04948	0.3
107.08591	0.8
109.02870	0.3
109.10133	0.8
111.04440	0.5
115.05453	0.3
117.07027	1.0
119.04910	0.4
119.08551	0.5
121.10139	0.8
123.08137	0.3
123.11642	0.4
131.08563	0.5
133.10152	0.6
135.04401	0.8
135.11624	0.4
137.02347	7.5
137.03409	0.8
145.06488	2.4
145.10085	0.5
146.03673	0.3
159.11610	0.4
161.02338	0.4
161.13290	0.3
163.14777	0.4
173.05957	0.5
173.13229	0.2
175.03912	0.4
175.07524	0.5
179.03406	0.7
187.14836	0.3
199.07448	0.3
201.05461	6.0
201.07216	0.5
203.03394	1.0
219.06491	0.9
229.04997	0.9
243.21173	0.3
261.22232	1.4
279.09439	0.2
292.07309	1.0
295.06033	0.6
299.05643	0.7
309.07492	1.4
310.08041	0.4
311.05634	0.4
311.09216	0.3
320.06812	0.6
321.07535	1.2
323.05493	5.7
323.09122	0.4
324.06400	0.6
325.06631	0.4
335.09134	12.9
336.09546	0.8
337.07043	10.7
337.11145	0.4
338.07819	7.5
339.08221	0.4
352.05853	1.6
353.10187	100.0
354.10498	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	353.1014
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
53.03937	0.3
55.05510	1.0
56.96559	0.2
58.58966	0.2
65.03933	0.4
67.05490	0.5
68.99805	0.4
69.03426	0.4
69.07062	0.3
69.70784	0.4
69.71194	0.9
71.08619	0.2
79.05479	0.6
81.07042	0.7
83.04990	0.5
91.05491	1.2
93.07026	0.3
95.04971	2.8
95.08608	0.5
105.03395	1.1
105.07030	0.8
107.04953	0.8
107.08578	0.5
109.06454	0.2
109.10162	0.3
111.00785	0.2
111.04444	0.7
115.05489	0.2
117.06992	0.2
119.04939	1.1
119.08555	0.4
121.02874	9.6
121.03866	0.4
121.10134	0.2
122.03226	0.2
123.04423	0.5
127.19029	0.2
129.07002	0.3
131.04958	0.2
131.08592	0.2
133.02875	0.2
133.06456	0.3
135.04456	0.3
135.08060	0.3
145.06473	1.1
147.04443	1.2
148.05200	0.2
149.02298	0.2
151.03905	0.4
157.06483	0.3
159.11699	0.2
161.05951	0.3
162.09113	0.3
163.03923	0.3
165.01859	0.4
173.06003	0.3
175.03932	1.7
175.07518	0.3
176.04701	0.8
177.01837	0.3
177.05414	0.5
178.99771	0.6
179.03395	1.3
181.01372	1.3
185.05969	0.4
187.03928	0.2
187.07512	0.2
189.05464	0.4
191.03424	1.0
191.06978	0.3
197.00829	1.1
201.05461	2.7
203.03377	1.8
207.06516	3.0
213.05531	0.4
215.06998	0.3
216.04153	0.2
218.07304	0.4
219.06308	0.8
219.08272	0.4
221.04269	0.3
221.06140	0.3
233.09642	0.4
235.07564	0.6
247.07576	0.3
261.09177	0.5
263.06949	0.4
264.07758	0.4
265.08420	0.2
269.08115	0.3
271.05859	0.4
279.10208	0.3
283.06009	1.5
287.05341	0.3
289.08478	0.3
291.06454	0.5
292.07324	1.9
295.06006	0.6
297.03922	2.6
297.07123	0.3
298.06000	0.4
299.05490	2.7
309.07663	0.6
311.05505	1.8
311.09189	1.2
313.06821	0.3
315.05170	0.2
319.05939	0.2
320.06720	0.3
321.07605	1.0
323.05594	1.0
324.06339	0.5
325.07169	0.3
325.10883	1.1
335.09125	10.5
336.09470	0.7
337.07050	9.2
337.11111	0.3
338.07761	4.7
339.08115	0.2
353.10184	100.0
354.10535	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	353.0844
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
56.96562	26.5
58.77662	15.9
70.67546	14.4
71.15455	30.6
71.15797	13.9
76.29941	12.2
98.97554	28.5
100.99171	19.2
110.97549	16.2
119.33687	14.8
120.16087	14.1
177.00697	15.9
184.67784	13.3
190.98647	33.0
208.99715	30.4
353.08398	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13443	0.6
55.94186	0.6
56.96558	2.4
57.03458	0.6
67.05486	0.8
67.47663	0.6
69.03423	1.6
69.07050	2.4
70.06580	2.4
70.31197	1.8
70.31606	1.3
71.01324	1.2
72.08140	1.4
81.03422	1.6
81.07049	0.9
84.08163	1.8
85.02879	1.7
86.09701	1.6
87.08098	1.2
89.03917	2.5
91.05477	2.1
93.07057	0.6
95.04987	1.6
97.02885	0.9
98.97564	2.9
103.05453	1.5
105.03384	3.1
105.07018	0.8
106.31887	0.6
109.02878	1.0
109.06558	0.9
111.04434	0.9
116.98595	2.4
117.03384	6.3
117.07025	0.8
119.04923	1.1
120.08087	2.2
121.06473	0.9
121.08418	0.7
121.66346	0.7
127.03875	1.4
128.89610	0.5
129.10269	1.0
130.05110	0.7
130.06451	0.8
130.39261	0.6
131.04915	1.8
133.06474	0.7
135.04408	1.9
136.06171	2.1
136.07574	1.4
137.06042	1.5
143.04922	1.1
145.02853	13.2
145.04956	0.8
146.03630	9.0
146.06104	0.9
147.04401	2.7
149.05989	6.7
159.04375	2.4
161.02385	2.0
161.05977	11.7
162.03186	1.7
163.03883	4.2
163.07530	0.8
172.04921	0.8
174.03134	0.9
174.99077	0.8
175.03893	1.6
175.07578	1.0
177.00566	1.1
177.05475	47.9
178.05891	1.0
187.03862	1.2
189.05472	2.8
190.08606	2.9
191.03343	2.3
191.07127	1.2
191.08955	4.3
191.11795	2.2
192.06519	2.1
192.63838	0.7
197.01230	4.9
202.02634	11.3
203.03552	0.7
203.06993	1.1
205.04994	0.9
207.06535	1.7
217.04962	100.0
218.05290	3.0
219.06531	3.8
229.04927	2.7
231.06578	0.8
233.04448	1.6
243.06508	2.3
245.04453	11.2
246.04640	0.6
247.05933	4.7
267.00259	1.2
275.05444	4.3
293.06549	8.4
305.06555	3.2
335.12384	1.6
335.16281	1.0
353.01617	0.7
353.09000	4.9
353.13394	1.6
353.17331	3.5
371.02728	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63123	1.2
56.96560	65.7
57.03427	2.7
59.98764	1.9
69.03417	4.9
69.62848	9.6
70.06571	2.4
71.95252	3.0
73.02901	2.8
74.97612	2.5
81.03410	1.5
82.13808	1.3
84.08112	2.8
84.96026	8.3
85.02906	13.0
97.02882	5.8
98.96936	2.7
98.97579	51.6
100.98550	2.2
100.99150	28.1
105.03355	1.5
109.02834	1.9
110.97559	21.8
112.99112	3.3
116.97855	1.7
116.98624	23.4
119.00181	8.3
119.01865	2.1
119.04927	1.4
124.99133	2.1
126.97066	6.2
127.03873	3.4
128.98596	33.5
129.10211	1.7
131.00156	6.1
131.01895	2.2
134.99632	6.6
143.00153	5.0
143.01851	1.7
144.98065	17.5
145.05049	1.8
146.99643	29.6
147.04327	1.8
148.07556	12.2
149.01189	10.6
150.99039	1.4
152.00150	1.6
154.96553	4.1
158.99667	11.4
160.07584	33.4
161.01219	3.3
161.02895	3.4
162.99123	9.9
165.00734	14.5
165.52095	1.6
167.02199	3.2
170.99625	9.8
172.94293	2.4
172.97554	25.2
173.01239	2.2
173.02913	1.9
174.99113	1.7
177.00684	13.3
183.01755	3.3
189.00728	9.2
190.98622	63.3
191.02287	2.1
191.03873	1.6
191.11746	4.1
197.01155	4.9
201.00673	3.1
203.02190	1.9
203.03973	1.7
205.00107	1.5
207.01750	3.1
208.99689	99.2
214.00182	1.8
214.95476	1.8
214.98618	19.8
215.02206	3.9
219.01721	7.9
221.03322	1.8
227.00677	12.0
232.01219	2.1
232.96539	3.8
232.99672	100.0
233.03406	4.7
237.02812	13.3
244.99730	11.3
245.05132	2.4
250.97931	2.6
251.00726	63.3
255.03795	7.3
261.02759	2.6
263.00674	35.8
263.05911	2.0
272.06860	1.8
274.02356	6.5
279.03976	2.2
281.01730	5.9
285.01175	1.5
293.01947	2.4
293.05331	8.4
310.12732	3.1
311.06409	7.7
322.12781	6.9
330.01712	5.1
335.02777	6.8
335.06503	2.2
348.02695	2.9
353.03787	12.0
353.08197	43.0
353.12610	2.5
353.16809	9.8
371.08514	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.01866	0.7
55.05498	0.6
56.05030	0.6
56.96561	5.3
56.96847	0.3
57.03434	2.4
58.06602	0.3
60.04525	0.9
61.02929	1.4
67.05504	0.3
69.03424	3.8
70.06590	3.9
71.01344	0.2
71.04983	0.7
71.06905	0.2
71.52091	0.2
71.52489	0.2
72.04497	0.2
72.08159	1.8
73.02911	1.5
74.06079	0.5
74.97584	0.2
75.04468	0.2
79.05495	0.3
81.03419	1.3
82.06631	0.2
82.51599	0.2
83.04964	0.3
83.06096	0.4
83.97599	0.2
84.04503	0.7
84.08138	4.4
84.96033	0.7
85.02902	7.3
85.08457	0.2
86.03223	0.1
86.06054	0.4
86.09700	1.4
87.04473	0.9
91.03969	0.4
91.05465	0.2
94.06573	0.2
95.06085	0.3
97.02294	0.4
97.02885	4.3
98.06037	0.2
98.97579	8.8
99.04451	0.8
100.07602	0.2
100.99150	0.3
101.06036	0.3
101.10777	0.2
102.05517	0.2
102.96907	0.3
103.00588	0.2
103.03943	0.3
103.05467	0.6
105.03416	0.4
105.07037	0.4
107.04964	0.3
109.02859	0.9
110.01260	0.4
110.07156	1.3
110.09707	0.2
110.97572	1.2
112.05093	0.8
112.07587	0.3
112.08727	0.4
112.99129	1.0
113.03485	0.2
113.07262	0.1
114.05476	0.2
115.02361	0.2
115.03941	0.4
115.05453	1.7
115.08709	0.3
116.07066	0.5
116.98601	4.6
117.02129	0.3
117.02874	0.2
117.05754	0.9
118.06557	0.2
119.00153	0.3
119.01836	1.1
120.08112	1.4
121.01653	0.6
123.02110	0.2
124.99095	0.4
126.05546	0.2
127.00701	0.2
127.03920	2.1
128.02357	0.2
128.07147	0.2
128.10742	0.4
128.98592	1.9
129.10226	1.8
130.06497	0.4
130.08640	0.4
131.00180	2.0
131.01842	0.5
131.03862	0.2
131.04910	0.9
132.08084	4.6
133.01668	0.5
133.03423	0.6
133.05220	1.1
133.06438	0.7
133.94231	0.2
134.06001	1.4
134.99635	1.8
135.03209	0.7
136.07588	0.7
140.00192	0.4
140.02292	0.5
140.98515	0.2
142.01811	0.2
142.06516	0.7
143.00133	1.1
143.01833	0.2
143.07333	0.3
144.98056	0.3
145.01735	0.5
145.04936	0.9
146.06009	1.1
146.99626	1.4
147.03188	0.3
147.04991	0.4
147.11293	0.2
148.07562	41.7
149.01183	1.3
149.02913	0.4
149.04747	1.0
152.98555	0.3
153.00674	0.2
155.53047	0.2
156.07658	0.4
156.98044	0.2
157.01642	0.5
158.01175	0.3
158.99652	2.1
159.03262	0.3
159.06764	0.3
160.07570	100.0
161.01204	1.2
161.03027	0.2
162.99113	0.4
163.02779	0.5
165.00691	0.3
165.04092	0.2
167.02263	0.3
167.05742	0.3
169.04387	0.6
170.99644	0.8
171.05029	0.4
172.07526	0.3
173.01225	0.6
173.02927	0.5
173.04742	1.5
173.07141	0.5
174.05548	0.2
174.11215	0.4
174.99161	0.6
175.02681	0.6
175.04375	0.3
175.11833	0.2
176.07146	0.3
176.11954	0.2
177.00703	2.7
177.04216	0.4
178.04939	1.2
179.02235	0.4
181.03943	0.3
182.03351	1.6
182.99657	0.3
184.03056	0.2
184.04869	0.5
185.01212	0.3
185.02917	0.2
185.04764	0.3
187.02730	0.4
188.09229	0.5
189.00717	1.4
189.06129	0.2
189.55702	0.3
190.08559	0.2
190.98520	0.3
191.02237	0.6
191.03894	1.9
191.05846	1.2
191.08038	0.4
191.11784	11.0
192.00533	0.4
193.00192	0.2
193.03850	0.3
193.05521	0.3
194.10181	0.2
196.02609	0.2
197.01215	2.3
201.00739	0.9
201.06139	0.2
202.08621	0.3
202.54668	0.3
203.02304	0.3
203.04099	0.2
203.05898	0.8
204.04750	0.3
204.56367	0.3
205.03787	0.5
206.10226	0.4
208.99588	0.3
209.03076	0.2
211.04820	0.3
212.55971	0.3
215.02254	1.8
216.01860	0.4
219.01735	3.2
219.05165	0.3
219.07196	0.3
220.02370	0.3
221.09210	0.6
222.00787	0.4
223.04851	0.6
231.07124	0.3
231.56914	0.3
232.99660	0.6
233.03139	0.3
233.56447	0.3
233.58469	0.4
234.03888	0.3
237.02779	3.2
239.02274	0.3
239.04427	0.3
247.04787	0.3
248.99020	0.2
250.07063	0.4
251.00792	0.4
251.04329	0.2
251.07990	0.4
255.03798	0.4
261.02878	0.6
263.05905	3.5
263.07950	0.4
263.56073	0.3
265.09506	0.2
267.00259	0.9
271.57434	0.3
272.06375	1.7
272.08914	0.2
275.04230	0.4
275.08099	0.2
279.03781	0.5
279.58789	0.2
280.08423	0.2
281.05209	0.3
283.57397	0.2
287.07263	0.2
292.11972	0.2
293.05392	0.8
293.09091	2.6
293.58185	0.2
295.06790	0.3
307.07126	0.3
308.07242	0.2
310.12827	14.3
311.06424	0.2
311.10156	0.5
321.10236	0.3
321.19217	0.3
322.12839	21.2
335.06653	0.3
336.96521	0.2
337.08020	1.0
343.60831	0.2
352.61734	0.4
353.01431	0.4
353.07288	0.7
353.11594	1.9
353.17007	25.8
355.09137	0.4
363.06607	0.2
367.09125	0.4
371.02750	0.5
371.08456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	12.4
56.05035	4.9
57.03432	4.1
57.07079	4.1
58.06586	10.3
60.04510	6.7
67.05505	28.9
68.05824	2.6
69.07068	18.5
71.04980	7.7
71.51427	2.3
72.08142	3.4
79.05493	27.1
81.03405	4.3
81.07051	29.3
82.07370	4.3
83.04965	5.0
83.08604	3.7
84.08128	4.0
85.06537	3.3
91.05474	23.6
93.06497	2.5
93.07045	28.8
94.07342	2.1
95.04965	5.6
95.08602	23.1
96.08096	2.1
97.06523	4.5
97.10200	4.0
98.09690	12.1
100.07608	3.1
105.07032	19.6
106.07298	2.6
107.04940	3.6
107.08598	23.5
108.08935	3.7
109.06506	5.2
109.10138	10.0
111.04395	2.3
112.07610	2.6
117.07027	4.7
119.07844	2.6
119.08554	16.1
121.10126	16.4
123.08076	3.6
125.09619	7.0
129.06985	2.6
131.08577	8.6
133.10129	12.7
134.10484	4.1
135.08017	2.9
135.11670	6.8
137.06024	5.0
139.11191	5.6
145.10155	5.5
147.08080	2.6
147.11731	6.1
149.01175	2.9
149.09639	3.3
154.12248	11.0
159.11690	5.4
161.13300	6.6
171.11694	4.3
172.13351	6.5
175.03874	3.7
175.11160	2.9
185.13318	3.9
187.14778	3.3
196.13271	4.6
203.12805	7.3
205.15843	3.6
207.06592	4.9
260.20953	3.7
274.21460	2.6
275.20056	30.0
278.21887	4.6
285.07178	5.7
292.09866	2.6
292.22675	13.9
310.23813	10.8
334.23740	9.1
352.12320	3.7
352.24857	100.0
353.10043	5.6
353.13574	24.9
353.24921	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	352.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01870	1.7
55.05503	1.9
56.05035	1.6
56.96566	7.9
57.03437	2.5
58.06594	2.9
59.05008	1.9
60.04521	1.4
61.02909	2.8
67.05500	1.9
68.05018	1.0
69.03430	9.6
69.07063	2.5
70.06593	22.7
70.45613	2.8
71.04988	1.6
72.08152	6.2
73.02924	2.6
74.06065	1.8
79.05501	1.5
81.03433	5.5
81.07039	1.7
82.06609	0.8
84.04514	2.0
84.08142	11.3
84.96001	1.2
85.02905	21.9
85.06566	1.0
85.08463	1.7
86.06060	3.9
86.09704	8.5
87.04478	1.8
89.35767	0.8
91.03986	0.9
91.05460	1.5
95.04948	1.8
97.02898	10.0
98.97575	7.6
99.04425	1.6
99.06903	0.9
100.07601	1.1
105.03378	3.2
107.05018	1.0
109.02879	3.3
109.06530	1.2
110.07182	4.0
111.04465	1.1
112.07587	2.2
114.05505	1.3
115.03997	1.4
116.07132	5.6
116.98621	6.0
120.08115	2.8
126.12788	19.1
127.03889	7.1
128.07088	4.1
128.10704	3.2
128.98598	1.3
129.10249	3.2
130.04977	1.0
131.02063	1.0
134.99699	2.4
135.04332	1.1
136.06110	1.1
136.07594	1.6
144.13832	65.9
145.02809	1.5
145.04985	3.3
146.99654	2.0
147.04410	3.4
148.07568	2.3
156.07788	1.0
157.95145	1.0
158.99699	2.1
160.07587	3.8
161.01253	2.5
161.02495	0.9
172.13336	7.1
174.99146	2.5
177.00659	2.1
177.05505	2.2
190.08687	6.8
190.10751	18.0
190.14377	100.0
191.14645	1.7
197.01260	3.6
212.06290	1.0
215.02269	3.2
217.05016	2.6
219.01796	1.1
227.06877	0.9
232.99690	1.3
237.02875	2.8
267.00262	1.8
310.08823	1.1
316.17725	1.3
335.06165	1.0
352.10352	2.1
352.15903	6.8
352.19815	9.8
353.01730	1.2
353.13229	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52465	4.0
53.03928	5.3
54.03502	3.7
55.05504	5.1
57.03429	7.5
60.04510	7.1
61.02924	8.2
69.03431	29.9
69.07067	64.1
69.75237	20.6
69.75643	6.5
70.06582	29.7
71.04981	5.3
72.08150	27.1
81.03428	23.5
81.07022	5.5
84.08134	17.8
85.02904	63.5
86.09705	53.6
87.00819	30.6
87.51789	4.3
91.05466	8.8
92.08132	3.7
97.02897	40.5
99.04472	8.5
105.01208	4.8
105.01875	58.3
105.03386	26.5
109.02846	13.9
120.08107	9.6
127.03913	55.3
130.08621	11.8
131.04897	10.9
136.05174	5.3
136.06186	86.5
136.07443	5.6
145.04979	40.8
149.05988	5.7
159.02855	8.2
167.07089	6.6
177.05405	6.6
183.81918	3.8
185.08214	3.8
190.08585	4.5
193.09698	5.4
199.17964	4.3
202.10901	8.3
205.04871	4.8
208.07050	4.3
213.04102	5.3
220.09915	7.6
220.11925	100.0
222.07579	9.3
231.05048	18.4
249.05986	8.5
260.09268	8.5
306.09491	4.9
334.09067	13.4
343.23587	4.4
343.43307	4.1
352.10147	6.8
352.15787	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	352.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.5
55.01881	4.8
57.03424	8.2
61.02895	7.1
69.03429	34.4
69.07073	100.0
69.98041	20.5
73.02892	8.5
76.22691	4.4
81.03414	27.6
81.07053	4.1
85.02437	7.1
85.02908	94.8
86.51652	4.7
87.00827	53.1
97.02890	58.1
98.20716	4.4
99.04456	13.5
105.01194	7.0
105.01868	96.2
109.02908	25.5
127.03916	89.2
139.87891	3.5
145.04967	76.5
159.02859	16.4
165.01195	4.7
166.77611	3.9
169.10635	4.0
174.24632	3.9
177.09079	6.7
195.10164	14.1
213.03915	5.1
231.04961	29.0
249.06071	16.2
316.16141	5.0
352.18048	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	352.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00370	0.2
56.05014	0.3
61.02922	0.3
63.74704	0.2
69.03422	0.7
70.06588	2.8
70.31657	0.6
70.66605	0.3
71.06910	0.4
72.08131	0.7
75.60078	0.2
81.07051	0.4
84.04505	0.3
84.08128	1.1
85.02884	0.8
86.09688	0.5
88.64410	0.2
91.05447	0.2
97.02863	0.5
98.21427	0.3
98.35572	0.3
105.03379	0.3
108.25990	0.2
110.07166	3.7
111.06860	0.4
111.07498	1.4
116.07107	0.4
120.08078	0.4
127.07696	0.2
129.10243	0.7
136.07585	0.4
138.94067	0.2
142.06532	0.4
144.08081	11.8
145.06523	0.2
155.53400	0.3
158.05975	0.9
160.07579	3.8
162.10335	0.3
163.10493	0.3
172.07501	0.3
173.08354	3.6
174.05426	0.2
174.09024	0.3
183.78745	0.2
184.11234	0.9
186.09084	0.3
188.07115	0.4
190.08624	100.0
191.08984	1.4
194.51373	0.2
200.06996	0.5
209.14699	0.3
212.10674	1.9
230.11908	1.2
232.09628	0.4
235.11990	1.2
236.12210	1.9
248.12828	0.8
252.14000	0.3
298.14380	0.3
316.18439	0.7
334.19516	2.2
352.13901	59.3
352.20377	8.7
353.14352	1.3
369.27310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.01868	6.1
55.05506	4.8
56.05040	3.5
57.03426	9.6
59.04995	4.1
60.04518	14.7
67.05522	4.3
69.03430	32.8
69.07088	23.4
69.07405	4.4
69.94086	15.8
70.06593	67.1
71.04993	10.1
71.06912	4.4
72.08153	31.8
79.05499	4.1
81.03426	28.1
81.07051	9.0
82.03761	4.4
83.04940	4.6
83.06135	4.1
84.04509	8.6
84.08151	28.0
85.02911	42.3
85.06523	3.8
86.06052	4.4
86.09700	38.5
87.00832	20.4
87.04478	6.8
87.05589	10.0
88.04011	3.7
91.05473	17.7
93.07084	6.5
95.04958	9.8
97.02892	46.0
97.06522	5.3
98.21485	3.7
99.04469	20.3
100.56721	3.5
103.05498	8.5
105.01874	19.2
105.03394	47.5
105.07057	3.7
106.06541	9.0
107.04899	3.7
107.08604	4.1
109.02853	16.7
110.06050	3.6
110.07204	5.9
112.07623	4.3
119.04942	17.4
120.08107	65.4
120.08949	4.8
121.06538	4.1
127.03915	64.9
128.07108	8.5
129.10240	14.3
130.08649	12.9
131.04936	22.7
132.10188	4.5
133.10065	4.0
135.04425	6.6
136.07587	100.0
137.55849	3.4
144.08083	8.3
145.04953	45.2
146.06020	4.8
147.04419	3.9
148.07487	5.6
159.11397	3.5
162.05469	4.7
162.09128	7.1
165.09128	3.6
166.08641	6.1
167.07040	7.5
170.08093	7.3
171.08493	4.7
173.48535	3.7
175.03912	4.3
177.05522	4.9
182.08116	7.9
183.08492	4.0
187.10777	4.2
189.09169	9.4
190.09454	11.2
193.09750	53.3
202.09456	7.0
207.06721	7.5
207.11270	41.4
208.06918	10.1
214.09401	4.7
221.09210	8.4
231.05040	41.1
235.10634	7.6
249.06104	19.1
253.11929	3.6
256.14090	25.9
260.10223	5.0
260.13037	4.0
274.15182	21.5
281.83380	4.2
298.15115	5.6
316.16269	46.0
334.17169	7.3
352.11243	10.7
352.17783	5.4
352.21582	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	352.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34932	3.7
56.57395	4.4
67.05511	19.8
67.09593	3.2
69.03433	4.1
70.01237	19.0
70.06599	5.4
79.05511	5.9
81.03409	9.8
81.07064	8.6
85.02864	3.8
85.06529	6.7
91.05485	15.5
93.07052	5.1
95.04955	11.2
95.08597	5.3
105.03410	7.6
107.04920	4.5
109.02879	9.0
111.95233	3.5
117.84182	3.2
118.11597	4.0
119.04950	11.0
120.08235	4.5
121.02885	7.2
123.04510	5.4
131.04932	5.9
133.10138	5.4
135.04430	8.1
145.02831	5.6
147.04460	14.3
161.05949	6.5
163.03928	13.7
167.07089	3.7
169.63081	3.6
175.03886	36.9
177.01804	3.9
188.01093	4.2
191.03406	32.4
203.03403	16.2
204.06689	3.8
207.06482	24.6
208.06941	6.8
215.03320	5.1
218.02129	19.1
219.02879	43.1
219.06442	4.7
231.02882	100.0
232.03221	3.7
233.02168	5.1
233.04463	73.5
284.06952	8.6
299.09076	12.9
311.09045	7.4
317.10156	21.3
353.10074	35.8
353.13150	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	352.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81168	0.4
51.02361	0.4
51.22716	0.5
51.71344	0.4
53.03933	1.8
57.39182	0.4
60.04525	14.4
67.05500	0.6
69.03428	4.0
70.06584	1.1
71.04999	1.2
71.52855	0.4
71.53284	0.7
72.08147	0.6
73.02904	1.5
73.99659	0.4
77.03902	0.8
79.05484	3.8
81.03418	2.5
84.08149	0.8
85.02894	2.5
86.06063	0.6
91.05469	1.6
95.04952	2.5
97.02886	3.8
99.04448	1.4
103.05466	23.6
105.03392	25.4
105.07002	1.7
106.06552	43.8
107.04955	13.3
107.06889	0.7
109.02881	2.4
119.00650	0.4
119.04970	0.5
120.08094	1.2
127.03909	1.5
131.04924	100.0
132.05231	2.2
136.06203	1.8
136.07430	0.4
147.04433	1.0
148.07567	34.2
149.06013	2.3
160.03934	0.4
167.07054	0.4
175.03897	0.7
190.08621	19.8
191.07019	0.6
191.08855	0.4
204.01390	0.6
207.06543	0.9
208.09662	3.1
250.01643	0.5
251.02394	0.7
251.09247	1.5
274.15115	0.6
275.09045	1.0
290.22418	0.5
293.10217	1.6
316.15836	0.5
323.25095	0.4
333.59042	0.4
352.19055	0.4
353.10150	0.8
362.77310	0.5
374.81158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	1.6
53.03937	6.3
55.05274	1.6
55.05513	18.8
57.03436	8.7
57.07065	4.5
58.84226	1.3
65.03927	2.5
67.05507	50.3
69.06793	1.5
69.07076	16.9
71.04977	2.8
77.03939	1.9
79.05492	69.3
81.07055	60.2
83.08625	9.9
83.42211	1.5
85.06540	4.7
91.05479	53.9
93.07047	93.0
94.78399	1.4
95.04977	6.3
95.08607	41.0
95.09180	3.3
95.66431	1.5
97.06528	3.6
97.10142	2.5
98.20775	3.3
99.08077	3.7
103.05486	1.5
105.06317	2.4
105.07032	56.9
107.08598	57.7
109.06501	3.5
109.10155	14.8
117.07022	12.2
118.68583	1.6
119.08582	54.9
121.06573	2.3
121.10139	39.7
123.08075	3.2
123.11682	4.0
128.06232	2.0
129.07002	6.8
131.08543	21.1
133.10124	44.2
134.10477	2.6
135.11687	42.2
137.09604	3.5
142.07819	1.7
143.08559	11.8
145.10123	24.1
147.10541	2.5
147.11688	47.6
148.12047	2.0
149.09601	4.7
149.13264	27.9
151.11206	2.0
157.10144	9.4
159.11684	19.1
161.09610	1.8
161.13257	32.5
163.11125	2.0
163.14844	9.2
171.10358	2.1
171.11668	13.7
173.13300	11.7
175.14830	14.2
177.12761	3.0
185.13219	12.6
187.14885	3.3
189.12813	2.1
191.14272	2.1
199.14793	6.9
203.14351	2.3
213.16357	5.6
215.18011	2.2
217.15874	2.3
217.19580	2.2
231.17352	4.3
231.21123	7.5
235.17149	2.0
241.19542	36.4
242.19865	1.8
259.20581	100.0
260.20929	4.7
261.22168	1.6
277.21631	18.7
305.08502	1.7
333.24194	9.3
351.25284	79.9
352.25574	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
55.01849	1.8
55.03027	1.2
55.05510	12.9
56.96551	2.3
57.03430	4.8
57.07059	4.6
62.20782	1.0
62.25014	1.1
65.03937	2.2
67.05502	43.9
69.07066	15.7
69.82107	2.7
69.82499	3.7
71.04977	3.3
71.08651	1.7
75.04480	1.9
79.05490	61.9
80.78553	1.3
81.03442	1.8
81.07055	48.7
83.04981	2.2
83.08627	7.5
85.06528	4.4
91.04906	2.8
91.05477	55.2
92.05801	2.2
93.07041	75.0
95.01337	2.9
95.04980	8.2
95.08606	35.3
97.06550	3.2
97.10155	3.3
98.21442	1.5
99.08098	4.6
103.05507	2.5
105.07023	58.7
106.07337	1.6
107.04923	1.0
107.08591	41.1
109.06514	4.2
109.10153	12.8
111.08104	1.3
112.68049	1.1
113.09624	2.6
117.07014	14.8
119.08582	58.5
120.08965	1.1
121.06498	2.0
121.10142	32.3
123.08032	1.4
123.11699	4.1
128.06186	1.7
129.06998	9.5
131.08562	19.9
133.10130	48.2
134.10490	1.7
135.11688	37.9
137.09590	3.3
137.13226	1.2
142.07755	1.5
143.08539	11.4
145.10124	25.5
147.11682	52.9
149.09605	2.4
149.13269	22.3
151.11194	1.5
157.10104	10.7
159.11703	19.4
161.09651	1.8
161.13266	34.9
163.11176	4.0
163.14815	8.3
165.12752	2.4
171.11705	12.2
172.12126	1.6
173.13268	10.5
175.14807	17.3
177.12775	3.3
183.11778	1.7
185.13283	12.0
187.14857	2.7
189.12747	3.2
189.16418	1.6
191.14220	2.0
199.14796	8.8
203.14311	2.6
211.14708	1.4
213.16389	5.1
217.15874	2.8
227.10435	1.2
231.17531	2.9
231.21112	11.3
241.19502	36.9
242.19724	1.4
259.20578	100.0
260.20911	3.5
277.21664	3.7
333.14798	4.2
333.24274	3.9
351.15936	5.4
351.25317	63.1
352.11856	1.4
352.16229	1.4
352.25555	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84797	1.3
53.03941	4.1
55.01871	10.5
55.05513	44.9
57.03439	18.5
57.07071	5.8
57.20056	1.6
65.03930	3.7
67.05506	100.0
69.03437	2.3
69.07072	35.7
69.31663	2.3
69.32060	12.7
71.04992	5.9
71.08634	32.2
79.05494	58.9
79.64772	1.5
81.03414	7.4
81.07058	86.3
82.07378	1.5
83.04971	10.7
83.08623	17.9
85.06556	4.7
88.96963	1.5
91.05485	45.3
92.33024	1.7
93.07043	75.2
94.07378	1.7
95.01328	2.4
95.04963	10.5
95.08610	51.0
97.06547	8.7
97.10154	11.3
99.08093	24.5
105.03411	2.8
105.04553	1.9
105.07030	43.6
107.04976	5.0
107.08595	47.8
109.06543	8.7
109.10157	31.8
111.04461	5.4
111.08107	5.0
113.09653	2.1
115.05467	1.8
117.07017	9.2
119.08583	36.2
121.06557	1.6
121.10147	31.7
123.08108	3.5
123.10902	1.6
123.11683	8.0
125.09644	13.4
129.05464	1.7
129.07004	6.6
131.08553	13.6
133.10120	30.9
135.08063	4.4
135.11684	29.1
137.05966	22.8
137.09601	3.5
137.13240	2.5
138.65646	1.7
139.11150	3.2
143.08582	9.3
145.10112	13.8
147.11699	27.9
149.09677	2.9
149.13271	18.4
151.11180	16.6
153.09152	1.8
153.12805	3.5
154.12320	2.4
154.81273	2.0
155.08502	1.7
157.10152	6.7
159.11700	12.1
161.09656	2.9
161.13261	24.9
163.11221	8.8
163.14827	7.0
165.01779	2.0
165.09192	1.6
165.12741	3.5
171.11647	10.1
173.11868	3.1
173.13286	7.6
175.11182	4.1
175.14850	12.0
177.12776	1.9
179.14302	9.7
185.13303	9.4
189.11209	5.7
189.12743	3.3
189.16443	1.7
199.14859	5.6
213.16382	1.8
217.19643	2.9
219.55591	2.0
221.15480	1.9
231.17516	3.5
231.21106	4.6
241.19540	14.6
249.22165	1.9
259.20596	39.1
277.18011	5.9
277.21649	35.8
294.30786	1.9
295.18961	2.1
333.24048	4.5
351.15793	3.4
351.25345	78.6
352.25375	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	351.2529
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
50.06543	0.8
53.03943	1.4
55.05514	13.4
56.96576	0.8
57.03438	7.3
57.07083	2.1
65.03947	2.2
67.05504	88.5
69.07060	10.7
69.48706	1.3
69.49113	6.3
71.04990	1.3
71.08625	1.9
72.07110	1.1
79.05494	22.1
81.07055	100.0
82.07387	2.3
83.04970	1.6
83.08616	6.5
85.06540	2.2
91.05474	10.7
93.07043	21.8
93.07637	1.3
95.04977	2.3
95.08607	69.8
96.08933	1.1
96.38120	0.9
97.06529	1.9
97.10175	3.9
98.21515	1.1
99.08111	1.8
105.07036	8.7
107.08595	16.6
109.06516	1.4
109.10156	37.5
111.04436	1.6
111.08101	1.8
115.03938	3.1
117.07023	3.0
119.08601	9.1
121.06496	1.5
121.10143	13.2
123.08070	2.1
123.11705	22.8
125.09648	1.0
127.03944	5.1
128.00819	0.9
129.07027	2.4
131.08577	4.9
133.10141	8.2
135.08054	2.2
135.11696	9.4
136.10690	0.9
137.09619	1.1
137.13225	7.5
139.07619	0.9
139.45764	0.8
143.08588	3.9
145.10101	6.3
147.11699	6.4
149.13234	6.2
151.07588	1.1
151.11194	1.8
151.14835	1.9
157.10150	3.4
159.11700	3.2
161.09647	1.3
161.13228	5.0
163.14865	3.9
171.11749	2.3
173.09615	1.3
173.13283	4.2
175.14856	2.8
177.12740	1.1
177.16364	1.5
179.14299	1.2
185.13280	2.1
187.14801	3.0
189.12802	1.0
197.13332	1.2
199.14804	2.3
203.10805	0.9
215.18114	1.3
225.73441	0.9
239.17841	2.1
241.19453	2.9
255.21109	1.2
259.17081	1.2
259.20456	1.4
269.22675	1.6
277.17923	1.5
277.35013	1.0
278.38196	0.9
287.23584	1.5
289.25241	3.0
297.22079	3.1
315.23151	9.9
318.87228	1.0
333.24243	18.0
338.43121	1.2
351.12512	5.1
351.25272	21.4
351.29047	11.2
352.25577	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.4
55.05517	34.8
56.74005	5.1
56.96557	9.9
57.03426	12.5
59.04995	4.8
67.05507	71.0
69.03416	7.7
69.07068	37.0
69.94045	26.7
70.06592	6.5
71.04965	5.5
71.08620	12.0
72.08168	5.6
77.03059	4.5
79.05496	81.4
80.05776	4.3
81.03422	13.4
81.07052	88.5
83.04993	7.8
83.08620	12.9
85.06539	8.0
87.27446	4.5
91.05473	72.6
93.07050	93.2
95.01338	5.5
95.04963	15.8
95.08617	59.2
97.06532	11.7
97.10178	11.4
98.21429	7.0
99.08124	11.5
103.05550	5.4
105.03422	7.0
105.07040	89.7
106.61557	4.3
107.04948	7.7
107.08582	55.5
109.02891	6.6
109.06496	7.6
109.10146	29.4
111.04404	5.2
111.08104	6.7
113.44050	4.8
115.05441	6.3
117.07025	14.5
119.04953	8.5
119.08588	74.1
121.02842	15.8
121.10152	47.4
123.08115	6.7
123.11715	8.5
127.03947	5.7
128.84892	4.8
129.07001	15.9
131.08597	32.4
133.10146	66.2
135.04510	6.1
135.08043	8.8
135.11690	43.7
137.06015	15.8
137.09601	8.4
143.08569	17.7
145.10135	39.2
147.04419	5.5
147.11671	61.7
149.13249	23.8
151.11189	9.8
155.08543	6.5
157.10138	15.5
159.11661	33.4
161.09624	10.2
161.13234	46.3
163.11153	9.7
163.14845	9.1
171.11676	21.1
173.13264	19.1
175.03859	5.7
175.11127	6.5
175.14851	19.9
179.14349	8.4
181.10100	5.9
185.13258	19.4
195.11609	6.4
199.14784	13.1
207.06546	16.9
211.11365	5.5
221.13425	5.6
231.17445	10.5
231.21092	15.6
235.14719	7.4
241.19492	41.2
255.13712	10.9
259.20572	100.0
277.21542	8.1
313.40869	4.7
315.15887	11.7
319.09662	8.7
333.17239	5.9
351.08359	7.7
351.12234	9.5
351.25720	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
55.01869	3.3
55.05515	18.8
57.03431	8.7
57.07071	5.4
57.53882	2.7
58.15408	2.9
60.24931	3.2
67.05504	92.7
69.07067	19.0
71.05000	3.5
71.52985	4.5
79.05491	20.7
81.07056	100.0
82.46158	2.9
83.05000	4.5
83.08610	10.6
85.06553	3.3
91.05473	20.9
93.07035	35.9
95.04951	8.4
95.08608	80.9
95.86272	2.8
97.02847	3.2
97.10173	7.1
103.05475	2.9
105.03400	5.3
105.07033	22.5
107.08578	24.2
109.06483	6.4
109.10151	40.2
109.33145	2.7
111.08073	3.7
115.03948	3.2
117.07023	8.5
119.08585	24.1
121.06490	3.3
121.10139	20.4
123.11726	27.4
127.03967	4.2
129.07002	7.0
131.08578	13.7
133.10127	21.7
135.08070	3.8
135.11697	16.2
137.13243	9.1
143.08553	9.3
145.10092	20.6
147.11714	15.2
149.13257	11.6
153.26453	3.0
157.10103	9.0
159.11687	13.0
161.09679	3.5
161.13254	9.4
163.11133	5.1
163.14813	7.7
169.10057	3.2
171.11711	9.3
173.13263	13.0
175.11301	2.8
175.14746	5.6
177.16339	4.2
185.13266	6.4
187.14838	5.1
189.09187	3.4
189.12788	3.3
199.14771	4.6
201.16330	6.8
203.14371	3.4
203.17932	3.9
213.16301	3.8
217.19469	3.1
227.17870	3.7
259.16840	3.4
269.22763	6.9
287.23657	11.1
289.25314	7.5
297.22263	5.5
305.24802	2.8
315.23154	28.8
315.26465	4.1
333.24161	40.9
351.25897	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.2
55.01873	3.7
55.05509	21.2
57.03439	10.0
57.07072	4.6
65.03928	3.8
65.25500	1.5
67.05500	47.1
67.90561	1.9
69.03430	2.5
69.07069	19.2
70.69193	6.4
71.04989	5.3
71.08621	3.8
79.05491	67.3
81.03438	2.0
81.07050	69.0
83.04997	3.9
83.08617	12.0
84.08115	5.1
85.06541	5.4
90.17756	1.8
91.05473	59.0
93.07040	100.0
94.07348	2.2
95.04955	7.4
95.08599	48.3
97.06527	5.2
97.10152	4.7
99.08091	6.1
105.03385	15.7
105.07030	63.0
107.04978	2.6
107.08592	60.1
109.06503	5.2
109.10149	18.9
111.04442	2.2
111.08076	3.0
113.09657	1.7
117.07041	12.7
119.08579	64.7
119.32081	1.8
121.02856	6.2
121.10146	49.3
123.08094	1.9
123.11698	5.7
125.09655	2.8
128.06180	1.9
129.06998	10.6
131.08563	20.4
133.10121	59.8
135.08040	2.4
135.11679	49.5
136.11958	2.2
137.05966	15.6
137.09602	3.8
143.08536	11.7
145.10101	23.7
147.04485	2.2
147.08034	2.1
147.11681	56.3
149.09610	5.7
149.13246	29.8
151.11154	3.1
157.10114	12.2
159.11696	20.4
161.09688	3.0
161.13257	45.4
163.11198	5.5
163.14821	8.9
165.12860	2.1
171.11696	19.7
173.13231	15.4
175.03905	2.8
175.11189	3.5
175.14827	25.5
176.10704	6.3
177.11327	2.2
177.12759	3.4
179.14331	2.5
185.13274	17.3
187.14795	4.1
189.12717	3.9
191.14275	3.1
199.14825	6.3
203.14365	3.1
203.60533	1.8
207.06462	3.1
213.16389	4.1
215.17860	3.7
217.19586	4.6
221.15417	2.4
231.17435	3.9
231.21111	8.4
241.19507	38.9
259.20557	90.7
260.20914	4.4
261.22055	1.9
269.81976	1.7
277.18134	7.3
277.21646	18.8
288.28741	2.0
333.24365	9.3
334.24542	2.0
351.08685	6.0
351.21774	2.9
351.25296	77.3
352.25592	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01863	3.8
55.05511	24.7
57.03193	2.0
57.03440	22.3
57.07079	6.8
65.03944	4.8
65.07787	1.2
67.05508	74.5
69.03445	1.5
69.07077	18.9
69.88179	3.1
69.88602	5.4
71.04989	1.4
71.08637	53.9
77.03917	1.6
79.05498	56.1
81.03416	7.6
81.07061	65.3
82.07381	2.0
83.04990	12.0
83.08626	10.1
85.06541	5.8
91.05486	37.5
93.07050	68.2
95.04981	14.3
95.08613	41.7
97.06551	9.0
97.10173	8.3
98.21384	2.1
99.08092	34.5
105.03398	20.2
105.04515	2.9
105.07040	32.4
107.04964	8.3
107.08598	43.0
109.06526	5.7
109.10170	20.6
111.08090	4.2
113.09620	3.1
117.07009	6.6
119.08579	24.2
121.02853	6.0
121.10147	32.8
123.08117	2.9
123.11707	4.3
125.09650	4.3
127.11189	1.7
129.07030	4.6
131.04973	1.7
131.08594	10.4
133.10120	20.7
135.08044	3.1
135.11703	38.2
136.12056	2.2
137.09619	1.8
139.11183	3.2
141.09105	5.9
143.08575	4.3
145.10118	8.6
146.52779	1.4
147.08083	2.2
147.11714	18.4
149.13269	14.2
151.11198	23.9
152.49664	1.6
153.12801	1.6
157.10141	3.6
159.11755	7.0
161.13269	17.5
163.11168	6.9
163.14844	2.5
165.12814	2.4
167.10681	3.0
171.11673	3.9
173.13246	4.3
175.03934	4.0
175.14853	5.4
177.12750	4.1
179.14325	100.0
180.14624	3.1
185.13332	3.9
187.14899	1.7
189.12718	3.9
195.13840	2.6
199.14839	3.7
207.13879	2.0
217.19736	1.7
221.15361	4.0
229.04933	1.5
229.08614	4.7
233.04471	2.4
235.16951	5.6
241.19521	5.5
259.20557	18.0
277.21646	42.3
278.21970	4.4
305.08133	1.5
351.08673	3.5
351.25320	50.4
352.25421	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.5
55.01855	4.6
55.05268	2.3
55.05508	28.2
57.03200	1.6
57.03438	21.7
57.07063	5.5
59.04988	1.5
65.03944	3.4
67.05502	70.1
67.22301	1.6
69.03424	2.9
69.07069	24.3
70.05957	4.4
71.04982	2.8
71.08630	54.7
73.60780	1.3
77.03922	1.7
79.05492	55.5
81.03397	8.7
81.07056	71.4
82.07374	2.0
83.04980	13.2
83.08624	14.6
85.06517	5.1
87.56969	1.4
91.05479	39.0
93.07043	71.6
95.04967	21.5
95.08604	46.7
97.06538	8.9
97.10163	7.8
99.08095	37.0
103.05453	2.0
105.03390	60.7
105.04470	2.6
105.07029	28.7
106.03693	1.8
107.04979	7.1
107.08591	46.6
108.08919	1.4
109.06518	7.6
109.10161	23.4
111.08067	2.5
113.09663	3.7
117.07004	7.7
119.04902	2.2
119.08577	27.3
121.02876	19.1
121.10144	34.9
123.08073	2.7
123.11702	4.1
125.09629	4.3
129.06984	3.0
131.08589	10.3
133.10135	24.3
135.08049	1.9
135.11687	44.0
137.09595	4.4
137.40858	1.7
141.09102	2.8
141.36682	1.4
143.08531	3.2
145.10107	10.9
147.04422	3.1
147.11679	14.3
149.09534	1.7
149.13257	15.6
151.11166	22.4
153.12738	2.2
155.08507	1.9
157.10127	3.2
159.04414	3.3
159.11736	8.5
161.06007	2.4
161.09621	1.5
161.13277	17.6
163.11151	6.8
163.14825	3.9
165.12720	3.5
167.10689	2.3
171.11731	4.5
173.11794	1.7
173.13216	3.7
175.03915	8.2
175.14754	4.0
177.12735	7.0
179.14304	100.0
180.14674	2.1
181.12158	1.7
185.13223	5.4
187.03874	5.8
187.07582	1.8
187.14835	2.0
189.11166	2.2
189.12732	3.2
193.12334	1.6
195.13820	2.0
199.14835	2.9
201.05472	2.2
221.15335	4.5
229.08614	12.9
231.21005	2.1
233.04359	3.4
235.16907	5.2
241.19485	4.7
245.13696	1.6
249.22131	2.1
259.20566	16.2
277.21606	42.1
278.21875	3.0
293.36768	1.7
305.08484	6.6
314.53632	1.7
323.09140	4.6
328.10455	3.7
337.07242	1.5
351.08624	12.2
351.12286	1.9
351.25293	43.8
352.25348	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.6
55.01859	4.1
55.05270	2.5
55.05512	28.1
57.03437	12.7
57.07069	4.4
57.72642	1.2
65.03930	2.7
67.05508	70.1
69.07069	26.5
69.30698	13.0
71.04972	5.0
71.05375	1.4
71.08628	5.7
71.24781	1.5
72.61716	1.6
75.04471	2.1
79.05495	71.2
81.03420	6.8
81.07057	71.4
83.04970	3.8
83.08613	11.1
85.06544	6.6
91.05482	56.1
93.07045	100.0
94.07431	1.8
95.04966	10.0
95.08607	43.3
97.06509	4.3
97.10169	6.2
98.20782	2.3
99.08092	7.6
103.05455	1.5
105.03393	3.8
105.04507	1.7
105.07035	60.3
107.08594	65.7
108.08958	1.9
109.06518	1.9
109.10167	21.7
111.08082	3.7
113.09619	3.5
115.07512	1.5
116.98608	1.4
117.07009	13.1
119.08583	64.0
121.06512	1.3
121.10148	45.3
123.08059	3.1
123.11707	5.0
125.09623	4.4
129.06984	9.0
131.08566	26.4
133.10132	50.9
135.08093	4.7
135.11699	49.2
137.05960	1.9
137.09546	3.2
143.08560	11.3
145.10127	24.1
147.11691	55.6
149.09605	3.3
149.13261	28.4
151.11180	8.0
154.14078	1.5
157.10098	10.2
159.11711	21.3
159.53848	1.5
161.10851	1.4
161.13268	41.3
162.13609	2.1
163.11188	5.1
163.14775	11.5
165.12698	1.9
171.11726	12.0
173.13240	11.1
175.03917	3.3
175.11156	3.3
175.14828	21.4
177.12772	3.6
177.16414	2.1
179.14297	7.0
185.13269	14.3
187.03960	1.7
187.13293	1.6
187.14894	4.3
189.11162	3.3
189.12790	3.9
191.14276	1.8
199.14787	7.0
201.16370	1.8
203.14369	3.8
213.16458	5.6
217.16023	1.7
217.19554	5.3
221.15436	1.9
231.17409	3.8
231.21078	10.8
235.17067	1.6
241.19534	40.2
259.20581	98.4
260.20883	4.3
261.22205	1.8
277.21646	29.1
277.24588	1.1
295.19040	1.8
333.24442	8.1
351.25302	83.7
352.25543	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	351.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.6
55.01868	4.8
55.05521	5.3
57.03422	2.0
57.07079	2.4
57.29815	1.0
59.05003	7.9
60.04530	10.3
61.04866	1.6
67.05491	3.9
68.51649	0.9
69.03430	6.0
69.07059	1.5
70.06568	1.0
70.14695	2.5
71.05003	1.6
72.08160	1.4
75.90977	1.0
79.05482	3.3
81.03416	17.0
81.07045	3.1
83.04958	1.0
85.02893	1.5
85.06532	4.3
86.09735	1.4
87.45810	0.9
91.05491	9.4
93.07040	3.0
95.04941	1.8
95.08588	2.3
97.02876	2.2
97.06518	1.4
99.04475	1.8
103.05408	1.3
105.03397	4.1
105.07028	5.9
107.04965	1.3
107.08603	1.1
109.02878	6.7
109.10155	1.7
115.05521	1.5
117.06983	1.7
119.04928	8.1
119.08582	3.1
121.10117	1.4
127.03927	1.5
128.06232	2.1
131.04932	2.6
131.08533	1.7
133.06483	2.0
133.10136	3.2
135.04411	10.1
135.08083	1.3
142.07822	1.8
143.08545	5.0
145.06490	2.1
145.10081	2.6
147.04417	14.6
147.08051	3.9
149.05957	1.6
155.08563	2.5
157.04036	1.1
157.10114	1.6
158.07257	1.1
159.04456	5.3
159.11674	1.6
161.06015	2.9
161.09647	4.6
163.07576	1.3
165.06992	0.9
166.05013	2.9
169.10136	1.0
171.08040	6.7
173.05995	6.8
173.09628	4.3
175.03912	14.4
175.07501	3.1
177.05467	6.0
179.03305	1.5
179.07028	1.1
183.07991	1.8
185.09608	4.1
187.07549	14.0
187.11229	1.2
188.08183	1.9
189.05502	5.2
189.07387	2.2
189.09114	44.7
197.09703	1.3
199.07613	2.2
201.03873	1.3
201.05397	6.3
201.09090	29.3
202.09572	1.1
203.10712	1.1
205.08649	3.1
207.06502	20.0
209.13229	1.1
213.09108	15.9
213.12694	3.7
215.07121	1.4
215.10629	3.0
217.08578	8.5
219.06543	1.5
227.10664	3.4
227.14240	6.0
229.08563	2.6
229.12238	1.4
231.10127	4.2
237.12788	2.0
240.11424	3.1
243.10123	3.6
245.11778	3.9
247.09610	9.2
255.09953	2.3
255.13800	55.2
256.14175	1.8
257.08313	1.6
259.09613	7.5
261.11261	5.8
269.15442	3.7
269.64664	0.9
273.14856	62.9
274.15204	2.7
277.10751	1.2
285.11069	1.5
291.15881	2.6
297.14883	9.3
315.15909	100.0
316.16336	4.8
333.17087	10.5
333.28357	4.0
351.10742	16.4
351.14642	1.5
351.18216	1.5
351.29395	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	351.1801
Annotation	Isochiapin B
Peak:m/z	Relative Intensity
53.03929	8.9
55.01869	8.0
55.05498	9.6
62.83850	2.5
62.99013	2.5
65.03931	4.4
67.05506	13.2
69.03434	30.0
69.07063	9.0
69.61578	3.7
69.61984	12.2
70.06576	10.0
71.04974	6.8
72.08128	4.2
79.05488	11.7
81.03416	55.1
81.07054	20.2
84.08120	8.1
85.02918	4.5
85.06534	8.7
91.05486	38.3
93.07036	15.2
95.04971	8.5
95.08600	15.6
97.02889	6.7
99.04452	8.7
99.08075	3.4
103.05444	3.4
105.03370	7.5
105.07030	55.0
107.04939	4.9
107.08587	16.0
109.02878	26.4
109.06519	7.2
109.10152	15.2
111.04424	3.3
117.07044	6.1
119.04954	33.4
119.08598	16.2
121.02855	9.2
121.06458	5.1
121.10116	10.2
123.04485	2.8
123.08085	4.0
123.11694	3.4
125.06019	3.6
127.03922	12.9
128.06186	3.4
129.06973	3.4
131.04947	7.7
131.08549	4.6
133.02863	4.8
133.06502	5.7
133.10124	34.5
135.04414	9.5
135.08035	3.1
135.11591	6.0
137.05942	3.1
143.08551	9.2
145.06459	5.7
145.10091	8.4
147.04424	47.7
147.08040	6.9
147.11719	7.4
149.09550	3.4
151.03886	5.0
151.07466	3.2
151.11188	9.5
155.08604	2.8
157.03973	5.7
157.10106	10.3
159.04401	3.5
159.08072	6.3
159.11664	4.9
161.05959	6.3
161.09607	30.3
163.11188	11.2
164.04781	3.0
167.08534	4.4
171.04384	3.8
171.08041	5.3
171.11644	3.8
173.05975	4.2
173.09555	4.9
174.06906	2.8
175.03917	58.1
175.11137	3.5
177.05447	8.5
179.10674	5.7
183.11903	3.1
184.05023	3.0
185.09613	9.7
187.03914	3.6
187.07430	3.9
187.11099	4.0
189.05513	13.7
189.09094	53.9
192.48874	2.7
197.09676	3.0
201.05437	4.1
201.09129	22.4
201.20299	2.9
207.06532	74.9
207.10136	6.0
213.09102	36.4
214.09436	8.3
215.03172	3.6
215.10669	12.2
217.08527	3.9
219.10106	3.4
227.10648	5.6
227.14346	13.2
228.14600	3.9
229.08652	3.2
231.08104	5.9
231.10155	15.6
233.04382	5.7
237.12746	7.5
240.11366	5.0
243.10220	7.5
247.09674	5.7
248.08359	5.1
249.11166	7.1
255.10948	5.1
255.13809	100.0
256.14105	20.6
259.09698	9.5
261.11200	3.4
269.15366	6.8
273.11490	5.9
273.14856	23.0
274.15082	3.0
276.07758	5.4
277.08441	3.0
289.08527	3.3
291.10141	6.7
297.14850	11.1
304.07382	3.0
305.08020	2.6
309.07825	3.1
315.12198	4.7
315.15912	82.1
316.16272	31.9
319.09729	16.1
323.09122	7.9
333.17044	13.4
333.24246	5.3
334.17258	9.8
351.11520	36.0
351.29330	9.5
352.08475	4.5
352.20001	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	351.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.6
55.01868	4.8
55.05521	5.3
57.03422	2.0
57.07079	2.4
57.29815	1.0
59.05003	7.9
60.04530	10.3
61.04866	1.6
67.05491	3.9
68.51649	0.9
69.03430	6.0
69.07059	1.5
70.06568	1.0
70.14695	2.5
71.05003	1.6
72.08160	1.4
75.90977	1.0
79.05482	3.3
81.03416	17.0
81.07045	3.1
83.04958	1.0
85.02893	1.5
85.06532	4.3
86.09735	1.4
87.45810	0.9
91.05491	9.4
93.07040	3.0
95.04941	1.8
95.08588	2.3
97.02876	2.2
97.06518	1.4
99.04475	1.8
103.05408	1.3
105.03397	4.1
105.07028	5.9
107.04965	1.3
107.08603	1.1
109.02878	6.7
109.10155	1.7
115.05521	1.5
117.06983	1.7
119.04928	8.1
119.08582	3.1
121.10117	1.4
127.03927	1.5
128.06232	2.1
131.04932	2.6
131.08533	1.7
133.06483	2.0
133.10136	3.2
135.04411	10.1
135.08083	1.3
142.07822	1.8
143.08545	5.0
145.06490	2.1
145.10081	2.6
147.04417	14.6
147.08051	3.9
149.05957	1.6
155.08563	2.5
157.04036	1.1
157.10114	1.6
158.07257	1.1
159.04456	5.3
159.11674	1.6
161.06015	2.9
161.09647	4.6
163.07576	1.3
165.06992	0.9
166.05013	2.9
169.10136	1.0
171.08040	6.7
173.05995	6.8
173.09628	4.3
175.03912	14.4
175.07501	3.1
177.05467	6.0
179.03305	1.5
179.07028	1.1
183.07991	1.8
185.09608	4.1
187.07549	14.0
187.11229	1.2
188.08183	1.9
189.05502	5.2
189.07387	2.2
189.09114	44.7
197.09703	1.3
199.07613	2.2
201.03873	1.3
201.05397	6.3
201.09090	29.3
202.09572	1.1
203.10712	1.1
205.08649	3.1
207.06502	20.0
209.13229	1.1
213.09108	15.9
213.12694	3.7
215.07121	1.4
215.10629	3.0
217.08578	8.5
219.06543	1.5
227.10664	3.4
227.14240	6.0
229.08563	2.6
229.12238	1.4
231.10127	4.2
237.12788	2.0
240.11424	3.1
243.10123	3.6
245.11778	3.9
247.09610	9.2
255.09953	2.3
255.13800	55.2
256.14175	1.8
257.08313	1.6
259.09613	7.5
261.11261	5.8
269.15442	3.7
269.64664	0.9
273.14856	62.9
274.15204	2.7
277.10751	1.2
285.11069	1.5
291.15881	2.6
297.14883	9.3
315.15909	100.0
316.16336	4.8
333.17087	10.5
333.28357	4.0
351.10742	16.4
351.14642	1.5
351.18216	1.5
351.29395	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	351.1801
Annotation	gibberellin A2
Peak:m/z	Relative Intensity
51.93137	1.3
53.03903	1.3
53.92381	1.3
55.01862	3.5
55.05511	4.0
67.05522	6.5
67.05791	1.2
69.03418	2.4
69.07069	2.6
70.17289	3.9
71.59598	1.2
79.05500	3.5
81.03398	2.5
81.07059	3.7
83.04971	1.4
85.58147	1.2
86.12851	1.1
91.05476	4.8
93.07014	4.6
95.04958	2.0
95.08601	4.0
105.03394	2.4
105.07024	5.4
107.08575	2.9
108.08902	1.3
109.02880	1.2
115.05414	1.6
119.04948	2.3
119.08566	4.2
121.02869	2.4
121.10127	2.1
127.03835	1.8
128.06238	1.9
131.08554	2.0
133.10130	3.7
135.04385	2.6
135.08057	2.6
135.11685	1.4
142.07794	2.3
143.08594	3.1
145.06482	1.6
145.10109	2.3
147.04414	6.7
147.11626	1.8
154.07704	1.4
155.08592	2.4
157.06488	1.9
157.10178	6.6
159.04385	5.2
161.05936	2.0
161.09618	2.5
171.04408	8.3
171.08064	6.0
172.08850	2.2
173.06027	2.0
173.09650	6.2
175.03903	10.9
175.07547	3.3
177.05486	2.0
183.08005	1.7
184.08914	2.2
185.05995	1.7
185.09616	15.3
186.06725	2.0
187.03966	2.2
187.07547	3.5
189.09119	8.2
195.08070	3.2
195.11682	1.7
197.09692	1.9
198.06732	3.4
198.10484	1.4
199.04060	1.8
199.07596	2.1
199.11235	2.7
201.05502	1.7
201.09079	13.9
203.07062	2.2
207.06534	4.6
209.09653	1.5
209.13197	1.5
212.08345	2.2
213.09094	56.5
213.12654	3.8
214.09506	3.6
215.10660	2.4
217.08618	1.6
219.10164	5.3
225.09166	3.7
227.10747	9.3
227.14272	13.0
229.08669	3.4
229.12216	3.0
231.10181	6.0
237.12831	7.0
240.11414	7.0
241.08685	2.3
241.12198	2.0
243.10175	6.0
243.13922	2.2
245.11658	3.0
247.09660	2.0
251.14320	1.6
255.10173	3.7
255.13794	88.3
256.14127	3.2
259.09698	1.9
261.11267	9.9
269.15430	3.6
273.11285	12.2
273.14859	45.2
274.15076	1.7
285.11230	1.8
295.05685	1.3
297.14807	10.0
315.15897	100.0
316.16254	3.3
333.16983	25.0
351.07968	2.4
351.11786	2.1
351.25497	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	351.1801
Annotation	gibberellin A2
Peak:m/z	Relative Intensity
51.23326	1.3
53.03969	1.1
55.01863	3.8
55.05511	4.3
57.03434	1.5
57.07091	1.7
65.03935	1.4
67.05505	10.4
69.03423	4.5
69.07051	2.4
70.97605	2.1
70.97939	1.5
71.04992	1.8
76.99730	3.5
79.05490	5.2
81.03427	5.0
81.07064	5.9
85.06525	1.4
91.05487	5.6
93.07039	5.6
95.04956	2.6
95.08609	4.6
98.20982	1.1
105.03414	2.5
105.06413	1.2
105.07023	7.0
107.04951	2.1
107.08595	3.8
109.02832	1.5
109.10169	2.8
117.07042	2.2
119.04961	2.9
119.08598	4.7
121.02865	4.8
121.10173	3.4
124.09497	1.3
127.03942	1.3
128.06241	1.9
129.07027	2.9
131.04916	2.9
131.08562	4.0
133.10155	3.9
135.04384	3.0
142.07765	3.2
143.08580	5.9
145.06482	2.7
145.10130	3.9
147.04405	5.7
147.08061	2.1
147.11725	1.9
155.08585	2.0
157.06493	3.4
157.10153	6.4
159.04430	5.1
159.08054	1.9
159.11664	1.6
161.05942	1.8
161.09598	2.8
167.08546	1.7
170.07314	1.1
171.04456	9.3
171.08069	7.1
172.08827	2.6
173.06036	3.2
173.09627	4.3
175.03957	14.1
175.07530	2.4
176.04242	1.3
177.05502	2.3
179.08646	1.3
181.10152	1.5
183.08051	2.3
184.08934	1.2
185.06030	3.2
185.09616	13.3
187.03905	5.7
187.07535	2.8
187.11192	1.8
189.05519	1.8
189.09128	9.3
195.08084	2.9
196.64609	1.2
197.09608	2.1
198.06726	5.4
199.07524	3.1
199.11194	3.3
201.05576	2.6
201.09093	16.8
203.10719	1.3
203.77415	1.2
207.06519	4.2
211.11148	1.7
212.08391	1.5
213.05713	2.6
213.09114	51.7
213.12683	3.1
214.09683	1.6
215.07111	1.7
215.10738	2.4
219.10098	8.4
222.10544	1.6
225.09116	3.1
227.10677	11.4
227.14267	12.7
229.08624	5.2
229.12280	4.0
231.10188	5.6
237.12805	6.5
240.11398	7.6
241.08656	3.8
243.10187	9.5
245.11763	2.7
247.09737	2.3
251.14244	1.6
253.12332	1.2
255.10373	2.7
255.13808	95.1
256.14188	4.6
257.08258	1.4
259.09781	1.5
259.20389	2.2
261.11237	8.7
269.15329	5.9
273.11298	9.8
273.14865	48.2
274.15213	2.3
279.05817	2.4
279.12262	1.7
297.14868	10.7
315.15909	100.0
316.16211	6.6
333.17010	33.5
334.17172	1.9
351.08115	2.2
351.12061	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	351.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01868	12.3
55.05515	6.5
57.03436	1.4
57.07069	3.6
57.79422	1.1
59.05005	9.1
62.78210	1.1
67.05493	4.1
69.03438	9.4
69.07057	5.0
70.06596	14.8
71.04996	3.1
71.40874	2.0
72.08162	1.8
77.59604	1.4
79.05486	4.8
81.03421	22.2
81.07052	3.2
83.04964	2.1
84.08143	2.7
85.02876	3.0
85.06544	6.6
86.09701	4.2
91.05478	14.0
92.36261	1.3
93.07037	6.0
95.04951	3.0
95.08585	2.7
97.02878	3.2
97.06499	1.4
97.56237	1.1
99.04446	2.5
103.05508	3.0
105.03395	4.0
105.07055	6.1
107.04962	3.5
107.08579	2.1
109.02884	7.9
109.06527	1.5
109.10184	2.6
110.07166	1.3
113.09681	1.6
117.07042	2.1
119.04948	12.6
119.08569	4.3
120.08103	2.6
121.02875	2.4
121.10133	2.4
123.04430	2.0
123.11608	1.1
124.07552	1.5
127.03898	2.8
128.06203	4.9
128.07060	1.3
128.08121	1.0
129.10265	1.7
130.07729	1.7
130.08650	17.8
130.09590	1.8
131.04913	3.4
131.08563	2.7
133.02863	1.4
133.06512	1.7
133.10118	2.9
135.04424	19.2
136.29411	1.1
143.08542	12.1
145.06506	1.5
145.10101	3.8
146.05988	1.2
147.04416	27.2
147.08026	10.6
148.07541	1.4
149.05956	5.4
152.01648	2.5
155.08548	1.5
157.10089	1.6
159.04469	5.5
159.08023	1.8
159.11702	1.7
161.05942	4.1
161.07204	1.5
161.09610	4.5
171.08044	20.3
172.08698	1.1
173.05978	7.3
173.09575	4.3
174.06741	1.5
175.03922	18.3
175.07518	3.8
177.05487	15.4
179.03435	1.8
185.05830	1.4
185.09627	4.0
187.07556	3.3
189.05516	11.0
189.09111	48.3
195.08075	2.3
199.07518	3.8
200.08148	1.2
201.05385	5.9
201.09120	24.6
203.10616	6.4
205.08598	10.1
207.06496	25.5
207.09933	1.1
208.06839	1.3
213.09135	10.2
213.12625	2.0
215.06995	3.3
215.10703	4.4
217.08629	7.4
219.06532	3.0
221.03850	1.8
225.09137	1.8
227.10693	4.6
227.14323	4.6
229.08591	1.7
229.12267	1.8
231.10030	6.3
237.12724	3.9
240.11417	2.7
243.10129	8.3
245.11818	5.3
247.09654	4.3
249.11102	2.1
255.10097	2.4
255.13826	42.7
256.14139	1.6
259.09732	2.8
261.11243	3.7
267.04285	8.6
273.14856	87.5
274.15176	4.8
277.10837	2.0
287.16214	1.7
291.15680	1.9
295.11850	1.6
297.14832	14.2
315.15915	100.0
316.16263	7.1
333.17209	6.6
351.10904	14.7
351.18210	2.1
352.21060	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	351.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.9
55.01881	3.0
55.05511	6.0
61.22343	2.2
65.03941	3.1
67.05501	8.5
69.03442	6.4
69.07059	4.9
69.23609	8.6
69.24031	12.8
70.06592	4.4
72.08167	2.5
79.05500	8.1
81.03419	17.4
81.07054	7.0
82.06599	3.4
83.04964	3.9
85.02921	3.0
85.06526	4.4
86.09683	2.3
88.05900	1.9
91.05469	16.5
93.07041	9.2
95.04958	3.3
95.08590	4.9
97.02880	4.6
99.04452	3.7
103.05472	5.9
105.03394	6.5
105.07043	7.3
106.06557	8.5
107.05000	2.4
107.08596	5.7
109.02888	5.7
112.07610	2.0
116.98368	2.0
117.07029	4.2
119.04919	10.3
119.08592	6.6
120.08152	2.8
121.02840	2.3
121.10138	8.6
123.07965	2.1
127.03872	4.4
128.07065	8.5
129.07356	7.0
130.08560	2.7
131.04924	23.0
131.08586	6.4
133.06537	2.8
133.10146	7.4
135.04433	7.0
135.11678	3.6
143.08615	3.0
145.06503	3.1
145.10135	6.5
147.04437	8.6
147.11713	3.5
148.07571	6.6
157.10184	5.9
159.08044	3.1
159.11711	3.3
161.05959	2.6
161.09566	3.8
171.08005	4.3
173.05975	4.2
173.13344	3.5
175.03937	11.6
185.09570	11.1
189.05481	5.8
189.09126	18.2
190.08635	2.6
198.06819	5.4
199.11209	5.2
201.09097	15.1
201.16499	6.0
207.06541	14.3
207.10068	2.8
212.08223	2.5
213.09097	37.7
215.10667	4.9
219.10081	3.7
225.08923	2.9
227.10681	7.7
227.14215	12.8
228.11133	2.4
237.12830	6.3
240.11510	5.9
247.09583	4.2
249.11134	5.7
255.10043	4.3
255.10880	3.1
255.13811	100.0
256.14102	8.1
261.11270	4.4
269.15430	5.8
273.14938	11.4
293.09988	2.6
297.14838	10.1
315.12198	4.6
315.15891	91.1
316.16232	12.1
333.17142	3.4
351.11020	11.7
351.14441	4.6
351.18103	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	351.1801
Annotation	gibberellin A2
Peak:m/z	Relative Intensity
53.61879	2.4
53.93488	2.6
54.59640	2.4
55.01871	6.0
55.05518	4.1
59.04995	5.5
65.56631	2.4
69.03425	3.3
69.25549	11.7
69.25980	12.4
78.08009	2.3
79.05449	2.4
81.03408	5.6
81.07077	3.0
85.06499	2.8
85.66337	2.2
91.05489	6.6
95.04987	3.3
99.10823	2.6
105.03417	4.3
105.07027	3.3
109.02875	5.8
118.90112	2.3
119.04917	5.7
119.08626	2.6
133.06499	3.3
135.04413	9.0
147.04425	12.5
148.07625	2.7
149.05946	2.4
157.10068	2.8
159.04344	5.2
161.09599	2.5
165.55122	2.5
166.08723	2.9
171.08044	6.7
173.05994	5.2
173.09602	6.2
175.03947	5.4
177.05403	5.3
179.03394	3.4
185.09627	5.2
187.07555	10.7
189.05548	3.5
189.09105	45.2
194.08127	4.0
195.72527	3.1
201.05461	7.7
201.09085	26.2
205.08504	3.0
207.06561	9.6
213.09123	15.6
213.12764	3.3
215.07016	3.4
217.08559	9.2
224.60416	3.1
225.07401	2.6
226.07988	3.1
227.10672	3.9
229.08632	4.5
231.10086	5.0
240.11397	2.4
243.10257	2.9
245.11768	4.6
247.09615	9.4
255.13800	56.3
259.09637	9.7
261.11261	7.7
269.15353	3.4
273.14835	65.5
297.14859	9.0
315.15897	100.0
316.16336	5.6
333.17041	10.8
351.10843	5.1
351.17783	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	351.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01860	0.4
55.05510	1.0
55.57055	0.3
57.03424	0.5
59.09183	0.3
67.05509	2.1
69.03432	0.7
69.07059	1.3
70.06602	0.5
70.59043	0.6
70.59442	0.6
71.08614	0.7
77.16702	0.3
78.04727	0.6
79.05490	1.3
81.03416	0.8
81.07044	2.3
83.44006	0.3
83.50458	0.3
85.06541	0.3
89.03913	6.6
91.05479	1.8
93.07062	2.0
95.04961	0.4
95.08613	1.3
97.06519	0.6
99.08090	0.5
103.05471	0.4
105.03393	0.8
105.07018	2.0
106.04202	0.4
107.04996	0.4
107.08588	1.3
109.02834	0.5
109.06525	0.4
109.10149	0.9
117.03377	22.9
117.07008	1.6
118.03774	0.5
119.04915	0.6
119.08568	1.3
121.02853	1.1
121.06482	0.5
121.10136	1.0
123.11749	0.3
127.03930	0.5
131.04947	0.5
131.08621	0.4
132.08084	5.1
133.10149	1.7
134.03618	1.5
135.04405	1.4
135.11662	0.7
137.05956	0.7
143.07301	0.7
143.08487	0.6
144.06906	0.6
144.08086	34.1
145.02844	55.2
145.08408	1.2
145.10129	0.8
146.03195	1.4
147.04422	0.8
147.08041	0.4
147.11665	1.0
149.04811	0.4
149.05991	8.2
149.13254	0.5
151.11241	0.4
157.10172	0.4
159.11697	0.7
161.09660	0.4
161.13274	0.6
163.03911	0.6
163.11111	0.4
171.11679	0.5
173.10826	0.7
175.03865	1.0
175.12318	17.8
176.12561	0.5
177.05469	100.0
178.05801	3.0
186.05508	1.5
189.09154	0.5
207.06531	1.1
215.11870	0.4
228.43568	0.4
241.19470	0.5
259.20480	1.2
277.21399	0.6
291.09839	0.3
308.12881	0.7
320.12946	0.5
351.08325	0.7
351.12637	0.6
351.16870	1.7
351.21429	1.1
351.25241	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16887	1.2
55.01866	6.4
55.05509	4.1
57.07076	2.9
59.04995	7.4
65.78349	1.0
67.05493	1.4
71.04974	2.0
83.25250	1.1
85.06537	5.1
91.05470	2.6
105.07048	1.6
107.04951	1.3
117.07063	1.8
119.08623	1.4
128.06207	1.5
129.07010	2.1
131.04959	3.1
135.04430	11.4
143.08569	2.5
145.06474	2.0
147.04393	7.9
147.08043	3.3
155.08598	2.5
157.10121	1.6
158.07268	1.4
159.04425	4.7
159.08031	1.5
161.05972	3.4
161.09651	2.3
163.07458	1.1
171.08066	6.4
172.08858	1.8
173.05992	6.9
173.09627	6.8
175.07483	1.7
177.05438	6.5
183.08087	1.6
185.06090	1.3
185.09598	4.2
186.06792	2.3
187.07527	15.5
187.11165	1.6
188.08258	2.0
189.05492	4.8
189.09111	50.9
195.08238	1.5
199.07513	2.4
199.11121	1.4
201.05530	8.7
201.09111	32.9
202.09396	1.8
203.10764	3.3
205.08569	3.5
213.09100	20.5
213.12704	4.2
215.06982	2.1
215.10754	2.9
217.08600	10.0
219.06502	2.3
219.10146	1.6
227.10686	4.5
227.14233	7.2
229.08609	3.5
229.12263	2.1
231.10188	7.7
237.12830	2.8
238.47023	1.3
240.11415	1.4
241.12659	1.3
243.10179	2.7
245.11761	4.5
247.09622	13.9
255.13802	70.5
256.14142	2.7
259.09634	7.3
261.11163	8.9
269.15317	3.5
271.09607	1.4
273.14850	78.0
274.15240	2.6
277.10754	1.4
291.15897	4.6
297.14758	8.4
315.15894	100.0
316.16315	4.2
330.00836	1.2
333.16916	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	351.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.05513	1.1
56.05039	0.6
69.03423	1.1
69.07045	0.6
70.06590	13.3
70.30714	1.1
70.31099	1.1
72.08157	1.4
72.94605	0.5
79.05476	1.6
81.03409	1.6
81.04515	0.8
81.07063	4.6
82.05313	2.2
83.06107	1.8
84.08148	2.5
86.09718	3.2
91.05442	1.2
93.04520	0.8
95.06100	0.8
97.02905	0.4
107.08551	0.6
109.02847	0.9
109.10171	1.0
110.07164	29.5
117.07001	0.6
118.59792	0.5
120.08130	0.7
121.03995	0.8
129.10220	1.0
136.07536	1.2
137.07100	0.8
138.06642	1.5
147.04419	0.9
149.07132	0.9
162.05527	0.6
162.10255	5.1
163.12271	1.2
164.07004	1.0
166.06052	3.1
170.08113	1.8
172.07581	0.9
175.03897	1.1
175.08710	1.0
177.05402	0.5
182.08118	2.1
185.10707	0.5
188.09383	0.5
190.05078	0.7
190.13390	0.7
191.11743	0.7
198.09122	1.5
199.08691	2.6
200.09462	9.0
201.10242	11.4
202.10844	1.1
206.10504	0.6
207.06454	1.0
207.12410	2.1
208.14456	1.9
213.10255	7.3
214.10950	4.5
215.11790	20.5
216.12422	1.6
217.11021	1.0
218.12843	0.9
219.11273	9.2
226.11028	1.9
226.15518	1.1
227.08116	1.1
227.11797	1.4
228.09012	0.7
228.12579	2.9
229.08658	0.8
231.11250	3.0
232.12036	0.9
233.12794	0.5
235.11894	26.3
241.09688	3.2
241.13298	4.5
242.10487	11.8
242.13080	0.8
242.14078	0.6
242.16411	0.7
243.11301	1.9
245.09300	0.6
247.09564	0.7
254.10490	1.8
255.11241	0.5
256.11926	3.1
259.10757	3.6
260.11560	4.5
261.12381	1.5
269.12845	4.9
270.13632	0.8
272.11703	1.2
274.13046	1.1
277.11783	3.5
282.14645	0.6
287.13901	4.0
287.18726	0.8
289.15442	0.8
297.12442	7.8
300.11047	2.9
311.91721	0.5
315.13397	20.7
315.18085	5.7
333.11343	0.9
333.14438	23.8
333.19119	13.6
334.14771	0.8
351.15482	100.0
351.20227	54.5
352.15796	2.9
352.19727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
56.05027	0.6
56.96563	17.6
58.06589	0.8
60.95815	0.5
61.02910	0.6
69.03423	2.5
70.06577	3.5
70.60506	0.7
70.60858	1.9
71.04953	1.1
72.08150	1.6
73.02901	0.9
74.97617	0.7
81.03405	1.0
82.73743	0.6
84.04494	0.7
84.08138	5.9
84.96049	3.4
85.02895	3.5
86.09689	1.5
91.05446	0.7
97.02885	2.0
98.21656	0.6
98.97580	100.0
102.96972	0.7
105.03392	1.7
109.02862	0.8
110.97558	9.6
112.99129	1.4
113.69879	0.6
116.98615	47.3
120.08127	2.4
121.81026	0.5
127.00621	0.6
127.03915	1.8
128.98598	9.0
129.02238	0.7
129.10223	2.8
130.08615	0.8
131.00194	2.4
134.99649	14.3
136.00037	0.6
140.00206	2.2
140.98640	1.6
143.00191	2.8
144.13829	0.8
144.98076	0.9
145.01735	1.7
145.04985	0.7
146.05994	0.8
146.99638	5.4
147.03314	3.5
147.11235	1.2
148.07599	1.9
149.01181	1.0
152.98596	1.8
153.00662	1.1
157.01633	0.6
158.01265	1.0
158.99651	33.0
160.07619	0.9
161.01190	1.7
162.99135	1.8
163.02809	1.7
165.04358	2.5
170.99658	3.3
171.03281	3.9
177.00700	33.9
178.00981	0.8
184.43201	0.6
189.00732	3.4
189.04347	10.8
189.06078	0.8
189.10193	5.3
190.14394	1.0
193.03741	0.8
195.01826	2.2
200.02350	2.2
201.00714	2.1
201.04382	1.1
202.75168	0.6
207.05373	4.2
211.04286	0.6
219.01778	13.1
219.05270	0.6
225.04283	0.8
231.05400	3.0
233.07182	0.7
234.98956	1.0
237.02803	23.4
249.06534	1.4
255.03831	1.9
260.04370	0.9
265.05988	1.4
283.06854	1.3
291.07465	22.0
292.07495	0.7
309.08545	74.7
310.08972	2.3
332.10104	4.3
333.10757	0.9
351.09628	30.1
351.15912	1.2
352.09964	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40254	0.4
56.05025	0.9
56.96564	18.9
57.03440	1.1
60.04501	0.6
61.02923	0.7
67.05517	0.6
69.03445	3.4
69.07059	0.7
70.06590	5.2
71.05003	0.5
71.51134	0.5
71.95264	0.7
72.04506	0.5
72.08147	1.7
73.02896	0.6
74.97622	0.6
81.03403	1.8
81.07063	0.6
83.04976	0.6
84.04504	1.3
84.08149	7.6
84.12616	0.5
84.96045	5.0
85.02904	6.5
85.06516	0.6
86.06049	0.5
86.09695	2.7
87.68402	0.4
90.05672	0.4
91.05488	0.6
95.04943	0.8
97.02921	2.5
97.24062	0.5
98.97585	100.0
99.04439	0.9
102.96909	1.0
105.03387	2.8
108.04521	0.4
109.02876	0.9
110.06047	0.5
110.07172	1.4
110.97562	8.2
112.08613	0.4
112.99135	1.5
116.07064	0.7
116.98622	64.9
117.98966	0.5
119.04902	0.8
120.08107	1.8
120.97939	0.7
124.99129	0.7
126.97126	0.5
127.00634	0.6
127.03914	1.2
128.98618	10.3
129.02246	0.7
129.10233	4.3
130.08621	0.9
131.00218	2.4
131.04974	0.5
134.99660	22.2
136.07629	0.8
138.98898	0.5
140.00195	3.0
140.98605	0.8
143.00171	2.6
144.13840	1.0
144.98094	1.2
145.01778	2.2
145.02707	0.5
146.05980	1.1
146.99652	7.4
147.03265	3.2
147.04402	1.3
147.11308	1.0
148.07603	3.1
149.01251	2.1
152.00183	0.5
152.98596	1.9
153.00711	1.8
157.09767	0.6
158.01247	1.6
158.05962	0.5
158.99660	31.3
160.07576	1.6
161.01218	4.5
161.07101	0.5
162.99149	1.8
163.02783	3.4
165.00673	1.4
165.04361	2.9
170.99643	4.4
171.03227	4.0
173.04701	0.5
175.02768	1.0
177.00717	42.8
179.02332	0.8
185.01329	0.5
187.02762	0.9
187.04436	0.9
189.00713	3.6
189.04320	17.5
189.06152	0.9
189.10223	10.3
190.14413	1.2
193.03799	0.5
195.01772	2.7
195.03310	0.5
199.02907	0.6
200.02332	3.2
201.00729	1.9
201.04437	0.8
205.03763	0.8
207.01692	1.1
207.05363	3.6
212.05940	1.4
217.03952	0.7
219.01752	13.4
219.05333	1.1
219.07524	0.5
221.06834	0.5
231.05424	4.1
237.02834	23.9
238.03296	0.9
241.01987	0.6
242.03387	0.7
243.05219	0.5
249.06342	1.9
255.03877	1.8
260.04504	0.9
265.05774	2.2
283.06720	1.6
287.04504	0.5
287.17770	0.5
291.07486	24.2
292.07803	0.6
309.08566	78.1
310.08997	2.3
321.08212	0.6
332.06485	0.7
332.10199	6.4
333.11011	0.5
351.09604	33.4
351.15536	1.0
352.10040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26244	1.6
57.03431	2.3
67.05489	4.1
69.07071	15.2
70.47343	4.0
75.53426	1.6
78.63522	1.7
79.05473	1.7
81.07045	2.4
91.05475	4.0
112.60360	1.8
118.95028	1.5
119.04995	2.3
137.02753	1.7
147.04398	6.4
159.04414	3.7
163.03886	2.3
175.03908	100.0
176.04233	4.1
187.03915	5.7
188.90158	1.7
201.05376	4.1
229.08611	27.7
230.08678	2.0
247.09651	76.6
248.09949	2.8
350.10245	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	351.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	79.4
57.82303	4.8
71.14890	11.5
72.08183	6.3
84.08131	9.0
84.96020	17.2
85.02908	6.1
92.11960	5.8
97.02883	6.9
98.97588	100.0
101.00872	8.9
104.10738	18.6
109.25664	5.4
110.97569	17.3
112.89595	7.8
116.98627	63.0
119.01910	24.4
124.99107	31.0
125.55444	5.4
128.00218	11.7
128.98596	21.1
131.00169	8.1
131.01909	9.7
133.03473	11.5
134.99673	26.6
143.00175	82.4
143.01927	6.4
145.03484	10.9
146.01285	12.6
146.99707	18.4
147.01312	5.5
155.01936	9.2
157.03510	7.5
158.99693	11.7
161.01234	63.1
161.02921	16.2
167.03815	6.3
170.99681	14.8
171.48386	5.8
173.03001	13.2
175.04529	8.4
177.00713	21.3
179.02309	12.7
185.01234	16.2
185.02850	8.8
187.02805	7.9
189.00577	26.5
189.02213	9.6
190.95467	7.3
203.00749	9.8
203.03981	14.9
207.03021	17.6
219.01836	19.1
221.01805	9.0
221.05052	31.9
231.01462	9.5
231.03360	9.8
232.96564	7.5
237.02850	40.2
245.05173	32.2
249.02725	32.1
255.03957	13.5
263.06189	23.3
267.03787	30.5
271.50726	5.8
279.03931	16.9
279.98752	5.3
285.04767	15.0
291.03662	55.5
300.48114	6.8
308.97867	6.0
309.04324	29.3
319.00027	9.7
323.98676	6.0
326.95175	7.8
327.06140	9.2
351.06787	44.4
369.02832	7.6
369.07043	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65847	2.5
53.03945	22.6
55.01875	21.7
55.05511	47.7
57.03446	26.1
57.07058	6.6
65.03921	5.1
67.05509	89.2
69.03433	6.7
69.07066	62.5
69.40555	25.4
71.04993	6.1
77.03902	2.9
79.05494	100.0
80.43758	2.8
81.03411	22.6
81.06593	6.0
81.07056	91.9
83.04970	30.6
83.08168	3.1
83.08617	18.8
85.06531	6.9
91.05485	77.6
93.06482	5.7
93.07047	82.5
95.01321	18.9
95.04970	27.1
95.08598	60.5
97.06523	30.8
97.10175	9.9
98.20757	4.8
103.05463	4.1
105.04528	2.8
105.07032	91.0
107.04960	51.1
107.08598	54.9
109.06513	9.7
109.10172	21.9
111.08050	6.1
117.07014	28.9
119.08578	55.8
121.06468	8.2
121.10136	26.0
123.04454	7.5
123.08047	8.4
123.11643	3.7
125.09627	12.2
129.06952	5.9
131.08563	37.1
133.06491	5.1
133.10123	63.4
135.08054	11.9
135.11699	16.2
137.09575	4.9
143.08586	4.9
145.06442	6.1
145.10141	30.2
147.11700	33.3
149.09648	33.4
149.13245	8.8
151.11179	4.5
155.08600	3.5
157.10103	5.1
159.11722	25.2
161.13268	10.3
163.11174	6.3
163.14906	3.6
167.51109	3.0
169.10121	8.0
171.11676	7.7
173.11816	3.9
173.13217	6.8
175.03883	24.2
177.12755	9.8
179.14291	25.5
183.11720	7.1
187.04033	5.3
187.11165	7.9
197.13318	4.2
201.05405	3.0
209.15480	4.5
229.08569	7.1
239.17920	3.4
241.08623	3.6
243.10179	3.1
247.09705	12.2
247.20639	4.8
257.19040	8.6
273.18329	2.8
275.20056	67.1
275.22833	5.7
313.14236	5.4
314.14737	3.7
349.23770	54.0
350.23392	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	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.40726	0.5
53.03934	0.8
55.01869	0.6
55.05517	5.3
57.03443	0.7
57.07066	1.6
63.61695	0.5
63.66527	0.4
65.03947	0.4
67.05506	5.1
69.06732	0.8
69.07067	9.6
70.33842	0.7
70.34226	0.9
71.04995	0.9
71.08633	0.9
71.20472	0.4
73.06554	0.6
79.05492	4.5
81.07063	8.6
83.04967	0.4
83.08629	3.9
85.06551	0.8
91.05483	2.4
93.07044	5.0
95.04977	0.9
95.08607	7.7
97.06528	1.4
97.10182	1.2
105.07028	2.3
107.08585	4.9
109.06515	11.5
109.07261	0.7
109.10150	3.9
111.08057	2.2
119.08585	3.7
121.06462	0.9
121.10143	4.0
122.07324	0.6
123.08067	62.5
123.11703	1.8
124.08410	1.4
125.09623	0.8
131.08543	1.2
133.10141	2.6
135.08061	4.7
135.11694	1.7
137.09615	4.6
137.13252	0.7
145.10146	1.6
147.11694	1.8
149.09612	1.2
149.13248	1.9
151.11176	0.9
159.11676	1.3
161.13217	1.3
165.12802	0.8
167.14278	0.5
173.13306	1.1
175.03920	0.8
177.12756	0.5
179.14311	11.1
231.15781	0.5
233.18953	0.6
247.09473	0.5
263.20114	0.5
275.20059	1.9
289.25235	1.0
293.21103	16.3
294.21823	0.7
303.27048	0.7
307.22647	0.8
331.26251	3.9
335.31238	0.4
349.27377	100.0
350.27664	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	18.1
55.01873	24.5
55.05265	3.8
55.05510	43.5
55.64378	2.6
57.03442	30.4
57.07077	5.2
60.07834	2.3
63.12184	2.2
65.03947	5.9
67.05502	84.2
69.03439	2.7
69.07070	65.7
69.76157	12.5
69.76552	5.4
71.04990	6.2
79.05494	91.0
81.03420	29.0
81.07055	99.3
81.07534	5.3
83.04985	26.5
83.08623	13.7
85.06540	6.8
91.05480	88.5
93.07043	74.8
95.01346	21.3
95.04962	26.0
95.08608	62.4
97.06521	30.7
97.10146	12.4
97.60925	2.4
103.05483	2.6
105.07032	100.0
107.04954	50.1
107.08596	51.3
109.06518	10.1
109.10154	21.4
110.93636	2.8
111.08094	6.8
117.07018	30.8
119.08585	52.3
121.06508	8.6
121.10130	22.7
123.04415	3.7
123.08089	12.1
123.11723	5.2
125.09634	7.6
129.07042	5.9
130.07838	2.4
131.08566	30.2
133.06445	2.7
133.10126	57.6
135.08072	13.8
135.11681	15.9
137.09615	6.6
141.06981	4.7
143.08582	5.9
145.06499	7.4
145.10120	26.9
147.04436	5.8
147.08073	2.7
147.11681	26.8
149.09621	34.8
149.13261	8.7
151.11160	3.8
157.10153	8.2
159.08000	3.5
159.11691	28.9
161.09593	3.0
161.13275	9.1
163.11188	8.3
163.14799	3.9
165.09105	3.5
169.10118	8.3
171.11673	6.8
173.13264	7.0
175.03885	28.0
177.05580	2.7
177.12788	7.4
179.14320	25.9
183.11731	6.1
187.03955	7.2
187.11172	8.1
189.11201	4.1
197.13295	4.1
205.12164	3.1
225.62425	3.3
229.08583	8.6
229.19633	4.6
239.17935	4.4
241.08534	4.6
247.09605	12.1
247.20595	5.3
257.18967	15.2
259.09824	3.5
275.20074	77.6
313.14395	4.7
349.23740	60.5
350.23596	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.0
53.03933	6.0
55.01875	19.9
55.05513	46.4
56.96538	1.6
57.03181	2.8
57.03436	23.4
57.07069	3.1
59.04992	2.9
65.03936	5.5
65.96597	1.5
67.05506	78.5
69.03429	5.9
69.07072	45.3
69.34760	14.9
71.05022	3.6
72.08144	1.6
75.04521	1.7
79.05493	82.1
80.52400	1.8
81.03422	9.0
81.07059	82.8
83.04974	10.4
83.08618	16.1
85.06554	11.7
87.93779	1.6
91.05482	74.1
92.06363	2.2
93.07045	64.1
95.01343	2.6
95.04969	15.5
95.08606	43.4
95.80914	1.7
97.06522	26.8
97.10180	12.0
99.08121	2.8
103.05435	3.1
105.07031	89.0
107.04957	25.2
107.08595	78.3
107.34525	1.8
109.02873	1.9
109.06533	17.6
109.10168	22.1
111.08079	5.2
115.05453	3.6
117.07017	27.0
119.04945	2.0
119.08584	53.6
119.09854	2.3
121.06506	6.7
121.10153	23.7
123.08073	10.1
123.11732	4.7
125.09602	10.8
127.03848	3.0
128.00893	1.8
128.06165	2.6
129.07019	9.8
130.07762	3.1
131.07593	2.7
131.08562	42.5
133.09143	2.6
133.10133	48.3
135.08060	8.1
135.11687	16.5
137.09602	6.8
140.71289	1.8
141.06972	4.0
142.07750	2.9
143.08533	10.6
145.06554	4.0
145.10123	66.0
147.04410	5.1
147.08087	3.5
147.11690	36.7
149.09636	27.1
149.13260	6.8
151.11197	5.0
155.08569	6.0
157.10150	11.9
159.04390	3.4
159.08026	2.2
159.11694	32.9
160.12233	2.0
161.06029	3.1
161.09663	3.9
161.13304	11.7
163.03928	3.9
163.11174	15.9
165.09129	2.3
169.10126	6.9
171.11697	10.3
173.13269	15.0
175.03906	30.1
175.11212	5.1
175.14833	2.1
177.05438	4.0
177.12732	6.0
179.14331	7.0
179.56421	1.7
183.11755	9.0
185.13297	4.3
187.03903	7.8
187.07513	2.3
187.11183	6.7
187.14688	3.2
189.11209	7.4
189.12717	4.3
197.13284	4.9
201.12785	3.4
203.14261	2.3
205.12314	2.0
207.11588	2.0
211.14777	3.1
213.16502	2.9
215.17924	3.6
217.58720	1.8
229.08659	6.7
229.19504	7.9
231.02826	5.8
233.04471	3.5
233.15419	3.0
239.18013	16.1
243.10146	6.8
247.09685	13.3
247.20514	5.2
257.19025	44.4
275.20090	76.6
293.21173	2.6
313.14221	2.3
331.15292	3.6
331.22766	6.1
349.15384	3.9
349.19928	11.5
349.23749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
53.03947	20.6
55.01874	15.1
55.05511	28.8
57.03436	21.0
65.03926	3.4
66.52498	2.6
67.05508	83.0
69.03422	3.0
69.07070	62.1
69.37624	25.1
71.04987	4.4
73.02890	2.6
79.05070	4.5
79.05495	60.1
81.02997	2.8
81.03423	32.4
81.06592	4.6
81.07060	90.1
83.04979	14.2
83.08611	12.7
85.06536	7.0
89.08885	2.8
91.05483	89.5
93.07037	55.8
95.01322	24.3
95.04965	20.6
95.08601	63.5
97.06541	28.1
97.10188	3.8
105.07034	100.0
107.04967	43.5
107.08585	29.1
109.06526	7.4
109.10156	14.2
111.08042	5.5
117.07024	31.5
117.39582	2.8
119.08582	51.4
121.06500	5.0
121.10123	13.8
123.04420	5.9
123.08061	9.7
125.09606	4.6
127.03925	2.7
129.07008	3.9
131.08569	37.3
133.10132	60.2
135.08043	7.5
135.11681	16.3
137.09598	6.3
141.06969	5.2
143.08496	5.4
145.06490	10.5
145.10144	26.3
147.11661	29.2
149.09651	9.2
149.13240	9.2
151.11159	5.0
157.10129	4.6
159.11691	23.0
161.13211	9.8
163.11227	5.5
163.14873	3.2
165.09088	4.2
169.10114	6.2
173.13271	4.8
175.03893	22.6
177.12753	10.0
179.14371	28.2
183.11723	4.9
187.03952	6.3
187.11218	7.8
197.13501	3.2
205.12019	3.5
219.17473	3.4
229.08554	7.4
229.19499	4.3
232.90970	2.7
241.08606	4.5
241.14395	3.4
243.10182	5.4
247.09650	11.4
247.20584	6.4
257.18979	9.4
259.09665	3.2
274.72736	2.9
275.20041	62.9
275.22842	5.4
296.73734	2.9
349.24026	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	CHEBI:68864
Peak:m/z	Relative Intensity
53.03941	8.0
55.01863	7.8
55.05508	15.9
57.03423	11.2
57.07072	7.2
59.04985	3.4
65.03940	2.5
67.05502	45.5
69.03419	2.2
69.07068	20.4
71.05001	4.0
71.08627	13.1
71.53858	3.0
72.33186	1.7
79.05495	22.4
80.03828	1.7
81.03416	13.6
81.07056	44.3
81.65252	1.7
83.04983	6.9
83.08624	7.7
85.06544	4.8
85.10184	3.5
91.05482	15.7
93.07041	31.7
95.04970	14.1
95.08616	22.2
97.02887	5.2
97.06531	3.2
99.04472	1.9
99.08094	7.2
99.24326	1.8
105.07027	12.1
107.08578	13.1
109.02892	14.1
109.06525	6.0
109.10164	13.6
111.04445	7.5
111.08096	3.2
111.11719	2.2
113.09627	3.0
115.03928	27.0
117.07018	3.0
119.08566	12.3
121.06557	2.3
121.10117	12.2
123.04425	11.0
123.08067	6.0
123.11695	4.2
125.06045	2.1
125.09612	2.5
127.03915	100.0
129.06995	2.5
130.10193	1.9
131.08580	5.1
133.10126	7.4
135.08061	3.8
135.11685	4.5
137.05978	3.9
137.09619	7.7
141.05482	5.3
145.10117	4.3
147.08051	3.0
147.11638	2.8
149.13283	2.7
151.11183	9.2
153.12726	1.9
157.10152	3.4
159.11754	2.0
161.09631	6.7
163.11194	2.0
164.11870	1.9
165.12735	2.5
171.11708	2.9
175.03931	7.8
179.10664	22.8
183.10156	4.3
183.11668	2.5
189.09099	5.7
197.11731	38.3
197.13470	3.5
207.10182	33.7
225.11198	71.0
229.08549	2.3
243.10121	3.8
243.12267	12.1
247.09660	4.1
253.14394	2.3
259.09604	1.9
275.20004	2.4
313.14041	1.9
321.24231	5.6
331.22836	5.9
349.23755	10.5
349.27686	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
52.21817	3.9
55.01873	44.7
55.05515	44.2
56.96563	13.0
57.03436	56.4
57.07069	15.3
59.05002	6.3
67.05502	81.9
69.07055	23.3
71.04983	12.5
71.08620	15.9
71.53234	5.8
79.05489	60.0
81.03432	5.0
81.07053	100.0
83.04967	14.5
83.08625	27.8
85.06551	16.1
87.65624	4.2
91.05476	47.4
93.07045	63.5
95.04946	11.6
95.08597	78.4
97.02922	3.9
97.06519	12.2
97.10158	8.5
99.08083	21.1
105.07027	34.6
107.04935	8.3
107.08598	60.9
109.02819	7.0
109.06539	13.9
109.10178	34.0
111.08075	48.4
111.11665	4.5
115.03931	21.3
117.07020	15.0
119.07768	4.4
119.08559	27.7
121.06541	6.7
121.10131	43.1
123.08064	12.0
123.11742	10.1
125.98096	4.5
127.03912	42.0
129.06966	13.1
131.08565	18.3
133.10121	27.4
133.15063	4.7
135.08089	5.3
135.11685	32.0
137.05956	6.2
137.09645	6.2
139.11198	8.9
143.08549	10.9
145.10109	13.9
147.04373	7.4
147.11676	19.7
149.13283	22.6
151.07538	6.4
157.10036	5.6
159.04398	5.4
159.11705	13.1
161.09628	6.5
161.13234	11.5
171.11621	5.7
173.13264	8.8
175.03935	55.4
175.14880	5.1
176.04156	4.1
177.05553	6.2
177.12688	5.9
179.14291	19.1
183.11729	9.2
185.13426	5.4
187.03957	6.5
187.14738	5.0
197.13344	5.7
199.03899	5.0
201.12662	5.3
213.16371	5.0
215.18080	5.9
217.12325	4.6
220.57056	4.3
229.08614	6.0
235.13307	5.0
240.39554	4.7
243.10181	10.0
247.09787	22.9
248.10139	8.2
250.23071	4.4
277.17810	9.4
293.21002	5.4
299.09265	7.0
303.05234	5.6
303.23248	7.2
308.10126	7.8
313.14392	8.8
313.21631	9.6
314.10004	4.9
321.06613	5.2
321.18817	5.5
321.24588	5.3
331.22662	41.3
332.15308	5.8
341.12381	6.6
349.23624	74.0
349.27356	10.9
350.12793	38.2
370.64008	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58508	0.9
53.03938	2.9
55.01863	4.4
55.05266	1.8
55.05510	18.0
56.96558	6.4
57.03436	13.1
57.07062	4.6
59.05020	1.2
59.29008	1.0
60.27576	1.1
63.44944	1.1
64.01319	1.1
65.03936	2.2
67.05505	32.7
69.03425	2.1
69.07070	24.7
70.97685	2.2
71.04984	2.8
71.08644	1.5
77.03894	1.0
78.46352	1.0
79.05490	25.7
81.03452	2.5
81.06590	2.4
81.07056	37.6
81.07533	2.1
83.04984	8.6
83.08615	4.7
85.06537	4.2
91.05479	25.1
93.07046	33.9
95.01339	1.8
95.04958	12.5
95.08604	22.5
97.06529	5.7
97.10189	3.2
103.05489	1.3
105.03397	1.4
105.07030	32.4
107.04947	10.1
107.08590	21.0
109.06523	12.3
109.10150	11.5
111.08089	2.0
117.07015	10.8
119.08587	19.8
121.06495	15.4
121.10163	12.3
121.10968	1.8
123.08059	7.7
123.11691	2.6
125.09596	1.6
127.03912	1.3
129.06990	3.7
129.70044	1.0
131.04913	2.0
131.08583	18.9
132.05865	1.1
133.06505	3.8
133.10133	20.4
135.08052	6.5
135.11678	7.5
137.09616	4.0
141.06961	2.1
142.07748	1.6
143.08545	4.2
145.06454	2.7
145.10115	14.9
147.04431	3.6
147.08026	4.5
147.11694	12.8
149.09616	10.1
149.13275	4.2
151.11186	6.2
155.08539	3.3
157.10133	5.5
159.04422	2.0
159.08078	3.3
159.11673	9.6
161.09631	4.4
161.13266	3.2
163.03915	1.0
163.11211	7.1
165.12700	1.7
169.06404	1.2
169.10173	1.9
171.11685	3.0
173.09648	2.3
173.13255	8.1
175.03908	20.1
175.11189	4.1
176.04285	2.8
177.05505	1.9
177.12759	2.6
183.11746	3.1
185.13271	1.7
187.03947	6.5
187.11220	3.4
187.14886	2.0
189.05466	2.3
189.12738	1.2
191.14317	2.5
197.13261	2.8
201.12814	3.6
207.11935	1.3
207.13800	4.4
211.14763	1.8
213.07970	2.5
215.18025	2.3
217.05199	1.2
217.07292	1.7
219.13792	4.3
229.08525	4.7
229.19476	2.6
231.08784	1.9
231.17296	1.3
231.67070	1.1
239.17958	4.7
241.08551	3.0
243.10104	3.6
247.09793	9.6
247.20628	4.7
248.09993	1.7
257.19040	17.0
259.09656	1.8
261.10178	1.8
275.20065	100.0
276.20523	3.1
280.09787	1.1
293.21201	8.4
303.17282	1.3
307.13364	1.5
313.14310	2.5
321.18573	1.5
331.16037	3.1
331.22845	1.7
349.07983	1.2
349.17581	11.5
349.23776	38.7
367.17975	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	2beta-Hydroxy-1alpha-hydroxymethylcolensene-2alpha-carboxylic acid lactone
Peak:m/z	Relative Intensity
51.57222	1.2
53.00316	1.8
53.03934	4.3
55.01859	5.7
55.05510	15.7
57.03443	8.2
57.07068	6.9
59.04998	1.3
65.03947	2.0
67.05505	41.6
69.03426	2.1
69.07075	19.1
69.72867	1.9
69.73195	8.3
71.05006	6.0
71.08633	100.0
79.05495	24.3
81.03410	5.8
81.07056	27.9
83.04976	11.4
83.08617	7.9
85.06552	2.2
91.05479	13.9
93.07043	26.3
95.04969	6.8
95.08602	20.6
97.02911	2.2
97.06561	8.3
97.10152	2.8
99.04443	1.5
99.08094	96.0
105.07027	8.8
107.04929	2.4
107.08593	15.1
109.02873	9.6
109.06543	3.3
109.10162	12.3
111.04461	1.4
111.08060	2.2
115.03924	13.2
115.82658	1.2
117.07030	2.9
119.08578	7.6
121.06500	2.6
121.10159	9.3
123.04442	2.8
123.08040	2.8
123.11721	2.9
123.93738	1.3
125.13287	7.1
127.03914	43.7
127.11202	4.4
129.06999	2.6
131.08571	5.5
133.06444	1.5
133.10129	5.3
135.11685	7.3
137.05971	2.3
137.09645	1.6
137.13246	3.5
139.11191	2.7
141.05475	3.6
143.08521	3.5
145.06413	1.3
145.10133	4.0
147.08000	2.0
147.11699	7.4
148.25281	1.3
149.09605	2.5
149.13228	4.0
151.07497	1.2
151.11194	4.8
153.05415	1.4
153.09093	1.4
153.12744	5.2
155.08484	1.4
157.10164	1.6
159.11699	2.0
161.09607	1.3
161.13190	2.5
163.14833	1.5
165.12817	2.0
169.08606	6.4
169.09875	1.6
171.11697	4.3
173.13298	2.5
175.03903	2.1
175.11328	1.5
175.14909	1.7
177.09245	1.8
177.12796	1.5
179.14307	4.5
181.08708	1.5
183.10112	2.6
183.74319	1.4
187.14828	2.0
189.12695	2.8
193.12163	1.5
195.10120	2.2
197.11771	2.1
205.15807	1.9
211.09470	1.3
215.14323	1.7
233.15398	4.8
251.16423	20.0
256.26199	1.4
261.15012	1.3
288.68002	1.5
290.74133	1.2
303.23193	2.1
321.24280	11.8
331.22638	9.3
349.23721	20.9
355.08551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83915	1.8
53.03938	3.6
53.96971	1.9
55.01867	4.0
55.05513	17.0
56.96557	5.7
57.03434	9.8
57.07062	5.7
59.05000	3.1
65.03934	4.8
67.05508	33.7
69.07073	13.0
69.70544	9.7
69.70959	4.7
71.04971	4.2
79.05491	20.0
81.03426	3.0
81.07047	21.6
83.04971	2.2
83.08593	5.9
85.06539	18.6
88.07577	2.6
91.05487	31.5
93.07043	17.5
95.04959	3.8
95.08605	15.5
97.06525	2.3
97.10159	2.3
99.08120	2.8
103.05494	3.0
105.07029	29.3
107.04958	3.1
107.08582	16.4
109.06509	3.7
109.10171	6.6
115.05391	4.7
117.07007	14.3
119.04885	2.6
119.08590	19.4
121.10118	8.5
123.11700	4.1
125.09642	3.3
129.06985	5.6
131.04918	12.6
131.08565	13.8
133.10147	14.4
135.11670	4.3
141.06970	2.3
143.08568	6.5
145.10123	23.8
147.04427	13.2
147.11681	13.4
147.12646	2.2
149.09639	4.6
149.13274	2.8
155.08536	3.0
157.10088	8.0
159.04427	6.8
159.11710	23.4
161.13242	5.9
163.03873	4.7
163.11195	3.5
169.10129	4.7
171.11728	5.0
173.06041	2.4
173.13269	3.5
175.03911	100.0
175.11264	2.5
176.04269	6.4
177.05458	13.0
183.11642	2.0
185.06107	2.0
185.07973	2.2
185.13290	2.4
187.03918	22.3
187.11043	2.4
188.07120	3.8
189.05440	9.9
189.11261	2.7
190.05876	2.5
199.03902	7.3
200.16161	2.1
201.05487	3.0
201.16402	2.7
203.03355	10.8
203.06964	3.3
213.05446	4.7
215.07069	2.8
217.08594	2.7
219.17400	2.8
226.06235	5.4
227.06999	3.4
228.07680	3.2
229.08617	22.6
229.19559	2.5
230.08871	3.5
231.10147	12.7
239.17990	8.5
241.08571	16.2
242.09030	5.0
243.10129	18.1
247.09656	48.8
248.09952	3.0
257.19043	21.9
259.09686	9.6
271.09412	2.4
275.20078	16.9
285.10187	4.3
295.13312	3.4
313.14346	11.1
331.15350	4.2
349.19800	3.8
349.23755	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.5
55.05503	13.2
56.77732	3.5
57.07071	4.8
65.03958	4.3
67.05511	36.4
69.07066	5.0
70.27232	16.3
79.05486	8.2
81.07034	5.9
85.06547	17.8
91.05484	10.6
93.07035	8.4
95.04983	3.5
95.08594	4.4
97.06535	3.3
105.07018	7.5
107.04980	3.9
107.08598	6.4
119.08595	7.6
127.17312	3.6
131.04979	7.4
131.08606	5.5
145.10112	7.0
147.04411	16.3
147.11671	3.4
159.04439	8.8
163.03995	9.4
175.03918	100.0
177.05544	10.9
187.03899	20.1
189.05504	9.3
199.03865	5.5
203.07111	5.5
226.06290	4.2
227.07164	4.6
229.08583	33.8
231.10199	15.5
241.08612	21.7
243.10176	21.5
247.09659	55.8
259.09656	11.6
275.20120	6.3
293.17877	3.9
313.14377	12.5
331.15491	6.3
342.17426	4.1
349.23721	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1646
Annotation	Anisocoumarin D
Peak:m/z	Relative Intensity
53.03933	4.0
55.01884	6.2
55.05515	8.2
57.03432	2.4
60.04510	3.1
67.05500	4.2
69.03416	4.8
69.07053	4.3
70.06597	16.1
71.04986	8.4
71.52876	2.0
72.08129	4.0
79.05482	3.1
81.03401	5.0
81.07044	4.2
83.04986	10.2
84.04493	1.9
84.08140	6.5
85.02889	2.7
85.06541	4.1
85.57401	1.3
86.09695	5.4
87.00849	1.2
91.05471	5.5
93.07048	3.0
95.04951	5.7
95.08641	1.8
97.02894	3.3
99.04409	1.5
101.06019	15.7
103.05457	2.3
105.03384	3.8
105.07061	6.1
107.04928	4.1
107.08575	2.0
109.02877	4.9
109.06472	2.4
109.10124	1.3
110.07130	2.3
115.05447	1.6
115.08734	1.4
117.07000	4.8
119.04932	6.4
119.08575	3.9
120.08114	4.5
121.02890	1.4
121.06451	2.4
122.06010	1.9
123.04462	6.8
125.07077	1.6
126.09184	1.6
127.03879	1.7
128.06181	2.6
128.07056	4.2
129.07025	1.9
130.06509	2.6
131.04973	2.3
131.08534	5.1
133.06430	2.1
135.04407	5.6
135.08109	1.5
143.08527	5.1
145.06482	5.4
145.10118	3.6
147.04413	13.7
147.08061	3.8
148.04718	1.8
149.05980	7.7
151.03896	2.1
153.06993	1.6
154.07706	1.7
155.07001	4.0
155.08549	4.2
157.07594	1.7
159.04445	2.5
159.08049	7.8
159.11717	1.5
161.05980	10.3
161.09592	4.4
161.34908	1.3
163.03914	3.9
163.07568	2.5
165.05446	2.9
169.10110	1.7
171.04428	1.9
171.08009	5.1
172.08781	1.6
173.05986	6.8
173.09612	5.5
175.03821	2.5
175.05127	1.4
175.07507	3.3
177.05490	5.3
177.09102	4.2
179.03363	1.4
183.06520	6.0
183.08046	3.0
185.05978	1.8
187.07520	16.9
189.05457	7.8
189.09096	37.5
191.07060	4.4
197.09599	3.5
199.07434	6.1
201.05458	5.3
201.09079	13.8
201.12645	1.9
203.07039	7.7
203.10623	2.2
205.05035	2.7
205.08583	13.4
206.09239	3.8
207.06447	1.4
211.07474	3.5
213.08995	13.1
213.12689	2.2
215.10614	14.5
217.08488	27.9
219.06520	5.1
219.10219	3.8
221.04482	1.6
221.08096	2.0
225.07556	10.7
225.12708	2.5
227.10728	4.5
229.08565	14.7
229.12241	2.1
231.10048	7.7
233.08115	2.9
235.09656	4.1
241.08527	2.1
241.12218	18.9
243.10143	23.5
243.13704	10.9
245.08104	9.4
247.09662	27.0
251.11357	2.9
253.12161	8.7
257.08176	2.5
259.09641	24.8
261.11218	35.2
263.09189	13.2
265.10684	2.9
267.11258	2.5
271.10358	3.8
271.13300	100.0
273.11313	7.9
275.09180	8.4
277.10785	6.9
279.12405	1.5
283.13187	2.9
285.11694	1.3
289.11343	2.1
289.14343	23.3
293.10062	1.8
295.10483	1.6
295.13388	4.1
301.14319	3.4
303.13232	2.1
305.15387	2.3
313.08545	2.5
313.14450	32.8
317.11356	6.9
331.15414	21.9
348.14169	1.2
349.12930	4.4
349.16931	30.3
349.27631	2.5
350.15738	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	349.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.4
57.03438	6.1
57.07064	6.6
65.03929	3.4
66.47306	2.0
67.05510	27.9
69.03431	2.8
69.07073	9.0
71.04966	2.9
71.08625	5.4
79.05493	9.8
81.03391	2.0
81.07069	13.2
83.08654	3.7
85.06545	16.1
91.05486	14.5
93.07049	11.8
95.04958	4.8
95.08607	8.1
99.08096	4.8
105.07028	9.2
107.08598	5.8
109.06532	4.8
109.10149	4.7
117.07005	3.3
119.04990	2.5
119.08562	7.8
121.10117	4.2
123.11754	2.6
127.03910	3.7
129.07018	2.6
131.04889	8.3
131.08563	6.2
133.10136	8.0
143.08601	3.0
145.10136	4.1
147.04427	16.9
147.11665	3.1
159.04408	6.8
159.11713	2.9
161.05956	3.3
163.03902	4.6
171.04532	2.7
175.03914	100.0
176.04321	3.3
177.05438	14.4
179.14262	2.5
185.13206	3.5
187.03905	20.9
189.05498	9.1
199.03937	3.0
201.05473	6.4
203.03435	6.0
203.06992	3.1
213.05553	2.9
219.17458	14.0
226.06267	9.4
227.07016	2.9
229.08632	25.8
229.12010	2.7
231.10117	12.3
241.08607	16.3
243.10214	16.5
247.09676	57.2
259.09613	7.4
275.20056	7.2
295.13248	5.3
313.14517	14.4
331.15439	5.1
348.33951	3.2
349.17432	4.2
349.23608	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	349.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04056	2.1
53.03927	5.1
55.01863	5.6
55.05516	21.0
57.03428	7.2
57.07071	6.2
59.05004	2.2
65.03930	5.6
67.05507	48.1
69.03437	5.2
69.07079	12.3
71.04982	2.5
71.08637	15.1
71.52026	4.3
79.05499	38.2
81.03420	15.5
81.07066	25.7
83.04985	11.1
83.08615	9.0
85.06553	10.0
91.05479	32.7
93.07048	29.6
95.01340	32.8
95.04966	25.1
95.08626	14.2
97.06517	5.9
97.10203	4.4
99.08106	14.2
105.04542	2.1
105.07027	29.5
107.04982	10.7
107.08596	28.2
109.06512	6.4
109.10152	15.2
111.08060	3.0
115.03899	2.8
115.05451	4.2
117.07008	10.5
119.04922	3.0
119.08592	27.4
121.06502	10.3
121.10155	14.5
123.04438	3.6
123.08067	6.3
123.11730	3.4
125.09603	5.5
127.03916	8.5
128.06253	4.1
129.06979	7.9
131.04974	4.2
131.08582	16.4
133.06482	3.7
133.10155	14.7
135.08081	5.1
135.11690	6.7
137.09651	3.0
141.07011	6.8
142.07742	3.2
143.08578	7.6
145.06465	5.8
145.10124	13.6
147.04405	6.6
147.11682	8.8
149.05940	2.7
149.09625	15.0
149.13293	3.3
151.11150	2.9
152.06236	2.9
155.08514	6.6
157.06415	2.7
157.10123	7.3
159.04384	4.1
159.08046	5.2
159.11696	10.4
161.06001	2.9
161.13225	4.2
163.03940	2.8
163.11198	2.8
165.06992	3.4
167.08572	6.1
169.10152	6.8
171.08038	4.8
171.11694	6.3
173.09584	5.3
173.11842	3.1
173.13249	5.2
175.03918	50.7
177.05489	8.3
177.12918	2.8
178.07848	3.1
179.08614	6.6
179.10609	3.0
179.14268	3.2
180.09364	3.9
181.06497	3.6
181.10052	6.7
182.10829	2.9
183.07887	2.6
183.11708	6.3
185.09647	6.5
185.13313	3.6
187.03894	10.7
187.07553	3.0
187.11118	2.7
189.05490	8.7
191.08620	3.0
192.09306	5.6
193.10089	7.4
195.08055	4.1
195.11696	7.3
197.09644	2.7
197.13196	5.2
199.03871	2.7
199.07579	5.1
199.11182	4.1
201.05501	4.2
203.03288	3.7
203.08618	4.3
204.09338	2.8
205.10181	3.4
207.11678	4.8
209.09601	5.4
209.13316	5.5
211.07442	2.8
211.14825	3.1
213.09113	7.7
215.07033	2.6
216.09334	3.1
217.10155	6.7
218.10872	5.3
219.07994	3.8
219.11719	5.8
220.12570	3.7
221.09790	2.7
221.13246	6.0
223.11172	4.6
225.10985	4.5
229.08517	14.3
230.10927	3.5
231.10052	4.6
232.08885	3.4
233.09590	4.0
233.13229	4.7
235.11189	5.5
235.14880	5.3
241.08644	8.4
243.10112	10.6
245.09645	3.5
245.13269	4.1
246.10393	5.0
247.09497	28.3
248.12126	4.2
249.12868	3.1
251.14357	3.1
253.15991	3.2
257.19025	3.8
260.11960	3.0
261.12897	11.4
261.16470	2.8
262.13684	2.6
263.10562	3.6
263.14340	3.4
275.14337	3.1
275.20178	17.7
279.13687	2.6
279.17300	2.4
289.12219	4.3
289.15753	5.7
291.10367	2.2
293.11813	3.1
293.15479	2.9
293.18787	4.7
303.17499	11.8
305.18961	3.5
307.13260	14.5
307.16547	3.3
313.14474	7.7
313.21420	3.1
321.18484	22.2
331.16745	8.7
331.22733	5.5
349.17935	100.0
349.23639	21.0
350.18243	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	12.9
57.07056	4.6
58.67353	3.7
65.03931	5.5
67.05510	38.3
69.07066	9.7
70.76938	8.8
71.04982	4.9
79.05495	11.1
81.03417	28.8
81.07043	10.2
85.06540	15.8
91.05492	13.3
93.07039	11.8
95.01335	73.6
95.04966	64.5
95.08613	10.6
97.02891	8.8
100.96992	3.3
105.07027	18.6
107.04935	4.9
107.08598	10.9
117.06985	6.2
119.05004	4.0
119.08566	9.4
121.06514	4.7
121.10154	7.0
128.06262	4.0
128.86275	3.8
131.04961	8.5
131.08548	12.8
133.06476	7.0
133.10156	4.5
143.08562	8.0
145.06529	8.1
145.10088	6.4
145.70049	3.7
147.04405	13.9
147.11629	4.0
153.48174	3.9
155.08554	8.0
156.09346	4.0
157.10185	4.6
159.04413	5.0
161.05969	9.2
163.03926	4.5
165.06931	4.9
167.08562	8.4
169.10063	9.0
171.07996	11.2
173.05984	5.4
175.03917	100.0
176.04395	4.4
177.05511	8.7
179.08522	13.2
181.06554	8.2
181.08435	3.7
181.10066	8.1
182.07219	4.4
183.08032	6.0
187.03929	16.8
189.05457	8.6
192.09280	6.2
193.10165	11.7
195.08118	9.6
196.08762	5.7
197.09590	10.1
197.67101	4.2
199.03867	5.9
207.08090	7.5
207.11603	6.9
208.08794	10.8
209.09607	9.3
211.11177	11.2
213.09056	6.7
217.05252	3.9
217.10220	6.3
219.08115	7.2
219.11620	9.6
220.08900	6.5
221.09613	17.6
222.10327	10.2
223.11102	6.0
225.09134	9.0
225.12744	12.3
226.06198	7.2
229.08472	20.8
231.07962	5.8
231.10193	11.3
233.09665	8.3
233.13284	4.8
235.07532	11.4
235.11174	12.5
236.12036	6.1
237.12769	13.9
239.10648	5.4
241.08585	10.8
243.10184	17.4
245.09622	11.2
246.10442	10.9
247.09521	49.5
249.09103	7.7
253.08607	12.8
259.09396	5.3
259.11502	5.3
260.11880	5.2
261.12711	11.6
263.10516	9.1
264.11508	11.2
273.09015	4.9
275.14230	8.4
275.20200	6.3
285.12759	4.7
287.14606	4.6
287.30530	5.5
289.12186	11.1
295.13269	5.2
296.15579	3.7
303.13751	9.8
306.15799	5.2
307.13477	19.3
313.14459	5.0
331.12924	21.1
331.16934	4.8
348.33844	15.0
349.14279	46.6
349.17859	32.7
349.21643	41.7
349.34232	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	349.1646
Annotation	Anisocoumarin D
Peak:m/z	Relative Intensity
51.64970	1.9
53.03946	4.9
53.11641	2.2
55.01887	4.2
55.05513	12.4
57.03445	2.7
67.05493	6.6
69.03427	6.7
69.07063	2.4
69.41408	16.2
70.06602	12.1
71.04996	8.8
72.08145	4.5
79.03661	1.7
79.05495	4.2
81.03422	6.8
81.07059	5.1
82.06585	1.9
83.04984	17.4
84.04517	2.4
84.08138	8.6
85.02899	5.2
85.06522	3.4
86.09718	6.2
87.00840	2.5
91.05483	4.9
91.32530	1.6
93.07047	5.8
95.04964	2.0
95.08622	4.7
97.02905	2.9
97.06562	1.8
99.04452	3.1
101.06023	20.4
105.03403	8.1
105.07034	7.4
107.04945	2.5
107.08607	3.8
109.02895	5.4
109.06512	3.9
117.07012	2.7
119.04990	1.8
119.08611	3.8
120.08130	5.4
121.02921	2.1
123.08067	3.6
127.03883	4.0
128.06248	2.5
128.07094	6.9
128.64828	1.7
129.06987	2.7
129.10263	2.7
131.08582	4.4
133.10132	3.9
135.04433	4.0
143.08621	3.0
144.06638	1.8
145.06502	3.4
145.10165	2.1
147.04417	7.3
147.08041	5.0
149.06079	2.6
151.07579	2.3
152.87936	2.0
155.08530	2.7
157.10156	3.7
159.04398	5.2
159.06755	2.2
159.08092	5.9
159.11722	3.7
161.05962	9.9
161.09633	2.5
163.07599	2.6
165.06914	2.0
167.08461	1.9
171.04469	5.7
171.08038	11.3
173.06038	7.5
173.09584	4.3
175.07510	4.0
177.05423	2.8
179.03462	3.5
181.05054	2.2
183.08069	3.7
185.09636	4.2
187.07489	28.2
188.08322	4.1
189.05467	5.7
189.09094	40.7
191.07010	3.3
193.04997	1.9
195.08179	2.6
197.09717	4.0
199.07535	22.3
199.11249	2.9
201.05440	3.5
201.09085	9.1
203.07018	2.3
205.08609	3.4
211.07581	6.9
211.11282	3.7
213.09088	44.3
213.12784	7.3
215.07051	3.7
215.10651	11.3
217.08566	27.1
217.12143	2.4
219.06567	2.1
225.12746	4.4
227.10675	4.5
228.11484	5.7
229.08485	14.9
229.12152	3.7
231.10193	9.3
233.08156	3.5
235.09601	4.2
239.10838	2.2
241.12230	100.0
242.12804	2.4
243.10091	16.6
243.13832	8.1
245.08063	2.5
245.11774	4.1
247.09636	21.3
253.12228	29.7
253.14624	3.1
255.10217	4.4
259.09732	15.4
259.12244	2.3
259.13177	2.1
261.11176	16.1
263.09058	2.3
271.09903	7.2
271.13281	71.2
273.11237	22.4
275.09091	8.8
277.10641	11.4
279.12256	2.0
283.13293	6.6
285.11383	3.4
285.14911	2.9
287.12799	2.3
289.14368	86.0
293.11401	3.9
295.13165	14.4
301.14340	11.9
313.14352	61.4
317.02847	1.8
317.11383	1.9
331.15472	28.5
332.15933	2.2
349.16559	72.6
350.17029	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	349.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	13.5
57.07058	3.9
61.95673	3.0
65.03919	7.7
67.05519	23.5
69.07056	7.8
69.88630	16.0
79.05466	8.3
81.07037	9.3
85.06546	17.2
91.05469	13.0
92.49928	2.7
93.07053	6.5
95.08565	5.5
98.21355	3.8
105.07020	9.0
107.04874	3.4
107.08575	5.6
109.10146	4.2
119.04961	4.4
119.08618	4.6
121.10121	5.4
131.04922	9.4
131.08617	4.2
131.24503	3.2
132.60211	3.3
133.10126	2.8
135.11603	3.3
144.60898	3.1
145.10097	5.0
147.04358	13.5
159.04440	6.9
163.03963	4.4
175.03906	100.0
176.04233	6.1
177.05472	14.2
187.03947	17.6
189.05447	12.2
192.59825	2.7
199.03844	3.5
201.05478	6.9
201.67961	2.8
203.03394	4.5
203.06993	3.5
213.05420	3.3
213.09059	4.7
229.08614	33.1
231.10243	13.3
241.08643	17.2
243.10208	21.8
245.07913	3.5
247.09682	61.9
256.67603	3.8
259.09650	7.5
275.20129	8.4
295.13263	6.3
313.14249	16.7
331.15546	5.4
349.23706	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	349.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54103	4.6
55.05492	8.3
56.90939	5.5
65.03939	5.5
66.32323	5.3
67.05489	18.6
69.28323	36.5
69.28747	20.1
75.88886	5.1
77.13979	5.2
81.07049	5.9
81.72521	4.9
85.06519	19.9
103.49183	6.0
139.03227	6.5
147.04359	8.7
159.04359	6.3
175.02509	9.9
175.03905	100.0
175.87546	5.4
187.03896	18.5
188.74330	6.5
189.05434	5.8
190.04832	5.6
194.90454	4.8
224.36208	5.6
229.08629	36.1
231.10112	9.7
241.08644	13.7
243.10197	24.8
247.09657	84.1
259.09720	12.6
295.13470	7.6
313.14294	15.3
320.89441	6.5
331.15320	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	9.3
56.23698	3.0
57.07071	4.7
58.54299	2.8
61.98969	3.0
64.11980	2.9
65.03941	4.0
65.58250	3.2
65.61021	3.0
67.05499	19.4
69.07091	4.1
70.72928	9.1
79.05507	3.9
81.07012	4.5
85.06544	14.9
91.05485	7.1
93.07082	2.9
107.08651	3.7
131.04965	6.5
147.04408	15.9
159.04453	7.3
160.25533	3.5
163.03893	5.1
175.03915	100.0
177.05473	17.1
187.03914	19.2
187.07648	4.3
189.05553	10.2
192.11133	3.4
201.05365	3.1
203.03506	6.7
213.05443	5.1
215.07150	5.4
226.06224	3.6
229.08582	28.1
231.10196	12.6
241.08591	11.8
243.10197	21.2
247.09686	46.8
259.09778	7.6
260.71808	3.8
275.19965	3.6
310.44119	3.3
313.14221	15.4
331.15442	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	349.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01880	6.9
55.05513	20.5
56.28908	3.3
57.03422	7.7
57.07072	6.0
57.13414	3.0
64.59510	2.6
65.03943	6.5
67.05508	52.4
69.07083	16.6
70.78926	9.1
71.04992	5.3
71.08630	13.2
79.05495	33.5
81.03392	3.9
81.07065	42.8
83.04987	6.9
83.08648	7.3
85.06544	17.6
89.81335	2.7
91.05478	31.8
93.07044	28.1
95.04961	6.6
95.08593	20.8
97.06520	7.8
97.10160	5.4
99.08077	14.2
105.07029	21.4
107.04940	6.8
107.08590	15.5
109.06519	12.8
109.10137	10.7
115.03918	4.7
117.07021	6.5
119.04940	4.0
119.08563	23.0
121.06477	4.3
121.10143	11.1
127.03881	10.5
131.04915	9.5
131.08572	12.4
133.10144	15.5
135.08005	3.2
135.11671	6.6
137.09604	4.1
145.10179	14.5
147.04414	11.7
147.11690	13.0
149.09679	5.8
149.13181	3.9
151.11113	3.7
155.08562	3.5
157.10133	3.9
159.04440	10.3
159.11604	7.2
161.13237	3.9
171.11775	3.6
175.03911	100.0
177.05455	12.6
187.03938	23.3
187.07629	3.9
187.14775	3.9
189.05501	11.1
199.03946	5.5
201.05386	4.0
203.03374	5.2
203.07011	3.9
213.05519	6.8
213.44775	2.7
226.06296	4.1
227.06839	2.9
229.08603	30.3
230.08934	3.4
231.10117	13.7
241.08617	20.1
243.10104	22.8
243.12123	2.6
245.07961	2.6
247.09682	69.7
251.92795	3.0
255.10220	3.0
257.19009	5.0
259.09692	10.5
275.20096	14.6
286.51788	2.9
290.75897	2.9
295.13300	6.1
313.14304	12.8
313.17801	3.2
313.21652	4.2
331.15280	7.1
331.22534	5.9
349.19843	6.8
349.23651	26.0
350.23285	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	349.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83137	2.6
55.05502	11.6
57.07057	4.5
65.03932	5.2
67.05505	23.2
69.07064	8.4
70.72790	6.6
77.72351	3.4
79.05511	4.9
81.07012	5.9
85.06543	20.3
91.05472	11.6
93.02953	2.9
93.07050	6.0
95.08608	4.2
95.96616	2.7
101.16437	2.5
101.17126	2.4
105.07041	5.2
109.06470	3.2
119.05027	3.2
119.08585	3.2
121.10120	4.3
131.04915	7.0
133.06526	3.2
147.04420	10.9
159.04428	5.0
163.03914	3.5
175.03905	100.0
177.05443	16.3
187.03870	22.6
187.07516	4.3
189.05470	10.7
199.03865	5.0
201.05547	5.8
203.03415	6.0
203.07249	3.0
215.07349	2.9
226.06201	5.1
229.08626	24.5
231.10156	15.2
232.78525	3.0
241.08545	17.9
243.10153	20.2
247.09659	61.4
259.09692	12.1
281.84528	2.9
313.14194	14.4
331.15469	7.9
342.25955	2.8
349.18295	5.2
349.25098	8.9
349.28915	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	10.2
58.95286	2.4
64.66064	2.5
65.03930	5.3
67.05502	21.4
69.07054	6.5
71.53024	2.7
73.08240	2.3
79.05489	6.0
81.07047	8.7
85.06542	13.2
91.05466	11.6
93.07021	4.0
95.08605	6.9
100.35293	2.5
101.54478	2.3
104.83821	2.9
105.07022	3.8
107.08601	4.4
117.52599	2.5
119.08591	3.4
130.76172	2.5
131.04953	7.9
131.08568	3.4
135.11600	2.8
135.21075	2.5
137.97838	3.0
145.10156	3.5
147.04425	14.3
159.04437	4.6
159.11621	3.1
161.13319	3.9
163.03922	4.9
170.53152	2.7
173.06030	4.3
174.40215	3.1
175.03911	100.0
177.05489	10.1
187.03920	24.0
187.07642	5.0
189.05457	12.1
199.03934	4.7
201.09079	5.5
203.03465	3.4
203.07208	2.8
213.05502	7.4
217.08661	3.3
226.06354	5.8
229.08603	25.0
231.10161	9.5
241.08548	17.8
243.10213	15.7
247.09674	49.4
259.09732	11.1
278.16660	3.0
292.10056	2.7
295.13297	3.4
313.14359	10.0
331.15292	7.0
349.18201	10.4
349.21750	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	349.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.4
55.05507	9.3
57.07066	4.0
61.44312	2.6
65.03939	6.4
67.05504	30.8
69.07076	7.4
70.48643	5.4
70.49036	6.2
79.05485	8.1
81.07052	6.4
85.06565	17.8
88.37914	3.2
91.05481	10.5
93.07039	8.7
95.08595	5.8
97.06532	2.9
105.07004	7.1
107.08594	5.5
115.05455	3.4
117.07029	3.0
119.08564	5.9
127.12914	3.0
131.04953	6.5
133.10097	5.8
145.10120	3.3
147.04407	14.1
147.11639	3.0
153.12740	3.0
159.04434	6.8
163.03911	3.2
175.03915	100.0
177.05452	12.5
181.54472	2.8
187.03979	20.6
189.05498	11.2
199.03928	6.8
201.05508	5.0
203.03369	4.0
203.07101	3.2
213.05447	3.6
226.06236	4.9
229.08609	20.0
231.10251	13.9
241.08583	17.1
243.10162	17.1
247.09680	52.2
248.10004	3.3
259.09625	11.2
275.20154	5.1
295.13278	3.6
313.14413	12.0
331.15500	4.1
340.59790	2.9
349.12381	3.1
349.16669	3.4
349.23734	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	349.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.9
67.05512	18.8
69.07020	4.4
69.26652	2.8
69.26784	4.0
69.27235	28.7
84.17036	3.2
85.06553	15.7
116.51620	3.5
131.04910	7.5
147.04382	8.7
159.04425	6.4
163.03947	4.2
175.03908	100.0
177.05475	12.9
187.03914	20.8
187.07613	4.5
189.05472	9.4
201.05429	5.2
203.03439	3.9
227.07106	4.4
229.08615	31.4
231.10143	9.2
241.08536	16.9
243.10155	23.4
247.09630	51.3
259.09616	6.9
292.52161	3.8
295.13239	6.5
313.14282	13.8
331.15460	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51442	3.2
55.05504	9.1
65.03944	3.6
65.08426	2.8
66.14606	3.4
67.05502	23.3
69.07053	10.5
69.79919	9.7
69.80308	7.1
71.04997	4.4
79.05476	5.6
79.21527	3.1
81.07069	8.8
85.06543	12.9
85.12178	2.7
87.97749	3.0
91.05475	10.7
93.07037	7.5
95.08572	4.1
105.07052	4.2
106.05848	3.0
107.08597	4.5
109.10149	4.0
117.07030	3.5
119.04903	4.1
121.10121	6.4
131.04950	7.7
131.08551	4.0
147.04425	10.7
159.04453	7.8
161.05957	4.7
161.21654	3.4
163.03897	4.9
175.03911	100.0
176.04301	4.1
177.05492	14.0
187.03876	25.4
188.04240	3.8
189.05550	7.3
199.03926	6.3
203.03320	3.8
213.05482	3.4
217.08557	3.9
226.06261	5.5
229.08627	28.2
231.10100	9.2
241.08519	21.0
243.10030	16.1
246.11307	3.7
247.09630	49.7
248.10023	4.6
249.21382	3.1
259.09799	9.2
295.13330	4.3
313.14337	13.7
331.15512	4.8
349.16156	3.8
349.23886	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	349.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56458	1.1
53.68095	1.2
55.05305	1.3
55.05515	11.9
57.07064	4.5
59.04996	1.8
65.03938	3.6
67.05500	19.6
69.07068	2.8
69.96102	5.0
71.04992	2.0
79.05508	1.6
81.03409	2.2
83.08632	1.3
85.06536	16.3
91.05476	7.6
99.04436	1.6
100.11247	9.9
103.05486	2.1
103.84103	1.1
105.06979	2.1
108.40850	1.1
111.04475	1.6
112.53645	1.2
119.04961	3.4
125.83859	1.4
128.07068	1.3
131.04918	5.8
133.06424	1.7
137.21120	1.2
147.04399	14.4
159.04379	8.8
161.05992	2.5
163.03934	5.2
171.04515	1.2
173.05894	1.3
175.03900	100.0
176.04329	2.1
177.05486	14.5
182.15469	1.2
185.09515	1.5
187.03899	23.3
187.07529	3.4
189.05449	10.6
191.08119	6.5
199.03973	6.7
201.05475	4.0
203.03378	4.8
203.06918	2.9
210.14877	2.4
213.05496	2.9
217.08678	2.2
226.06245	5.7
227.07019	1.8
227.17561	1.2
228.07988	2.0
229.08588	26.2
231.10156	13.5
239.07056	1.4
241.08591	18.4
241.10994	1.7
243.10117	22.3
245.08150	3.7
247.09644	50.4
248.10068	2.0
253.08650	1.8
255.10152	1.3
259.09579	8.3
276.72760	3.5
277.22986	1.8
295.13220	3.6
307.12933	1.4
313.14355	12.4
326.59525	1.2
331.15540	4.8
343.30566	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	349.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.9
55.05503	9.8
55.06803	1.4
57.07056	5.0
57.85346	1.4
60.04501	1.9
61.00924	1.4
65.03927	3.3
65.94337	1.6
67.05505	18.0
69.03431	8.1
69.07047	3.1
70.06596	2.2
70.81252	4.6
78.12129	1.6
79.05493	2.7
81.03426	2.4
81.07049	2.2
83.25157	1.6
84.08141	1.8
85.06545	12.8
89.18489	1.6
91.05474	7.8
93.07038	3.7
95.08589	3.9
103.05497	2.0
105.06989	3.4
107.08561	2.3
109.10163	2.0
111.08043	2.8
119.04917	4.2
119.08549	2.3
121.10165	2.3
128.06198	1.5
131.04918	8.8
136.06169	2.8
145.10117	2.0
147.04419	12.5
159.04446	7.8
159.11705	2.7
161.05945	2.6
163.03899	3.9
165.12769	1.6
175.03899	100.0
177.05508	14.3
187.03888	15.9
187.07547	4.6
189.05440	12.5
199.03893	3.7
201.05423	4.6
203.03333	2.5
213.05464	3.5
213.09123	2.4
215.06981	2.6
226.06233	5.6
229.08607	25.5
231.10202	12.8
241.08594	12.2
243.10156	17.9
245.08145	2.6
247.09666	49.2
259.09671	9.7
295.13327	3.8
313.14371	8.1
331.15289	5.2
342.56067	1.6
349.16425	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	349.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.7
57.07054	2.9
60.04517	2.1
65.03929	6.1
67.05506	24.2
67.31030	1.1
67.42565	1.2
69.07059	4.3
69.47849	3.6
69.48265	5.7
70.06596	1.3
71.05003	2.2
79.05482	3.0
81.03413	1.4
81.07040	3.1
83.04972	1.4
83.08598	1.8
85.06538	19.2
91.05468	7.4
93.07022	2.7
95.08566	2.8
103.05421	1.8
105.03365	1.5
105.07017	2.5
107.08582	2.5
109.02855	1.8
109.10162	1.6
115.05474	2.1
119.04981	1.8
121.06549	1.4
121.10162	2.9
131.04877	7.5
131.08574	2.0
133.10150	1.7
136.06203	5.8
137.06514	2.3
141.07034	1.3
145.10092	2.0
147.04385	12.7
147.08075	1.2
159.04387	8.3
159.11769	1.9
161.05890	2.7
163.03896	4.9
171.04317	2.3
173.06039	2.1
175.03897	100.0
176.04608	2.1
177.05467	10.1
183.07899	1.2
187.03909	30.0
187.07570	5.0
189.05441	11.0
199.03860	3.8
199.07581	1.2
201.05475	4.4
203.03352	6.1
203.07082	4.2
213.05489	2.3
215.06868	2.1
217.08701	1.7
226.06262	5.3
227.06998	2.5
228.07872	2.5
229.05144	1.4
229.08578	32.7
231.10149	11.9
241.08548	19.0
243.10150	22.2
245.08044	2.6
247.09657	63.8
253.08618	2.9
255.10190	2.0
259.09729	11.3
295.13306	4.0
313.14316	13.5
331.15796	6.8
344.49432	1.5
349.20483	4.1
349.75250	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88935	4.1
53.03940	11.0
55.01856	20.9
55.05505	46.9
56.25127	4.4
56.96534	5.4
57.03441	26.3
57.07074	9.9
65.03928	6.6
65.63147	3.8
67.05502	83.9
69.03423	5.7
69.07070	57.3
70.06580	6.2
70.64585	14.1
71.04979	10.2
79.05064	8.2
79.05489	90.1
80.58060	4.2
81.03384	7.2
81.07053	73.9
83.04960	11.6
83.08616	14.4
84.08104	4.5
85.06545	19.3
86.09667	4.1
86.32211	4.1
91.05480	79.6
92.56394	4.8
93.07041	81.7
95.04948	16.3
95.08611	54.5
97.06516	26.2
97.10175	12.6
99.08043	4.1
105.07024	91.8
107.04945	18.0
107.08582	65.3
109.06509	20.6
109.10171	29.5
115.05450	5.7
117.07027	29.0
119.04953	8.9
119.08580	67.0
121.06501	7.3
121.10139	29.7
123.08064	5.2
123.11671	10.8
125.09615	13.3
129.06998	10.5
131.04878	4.9
131.08562	39.0
133.10149	49.3
135.08017	9.6
135.11684	16.8
143.08527	11.1
145.10133	78.6
147.04387	10.1
147.11664	44.1
149.09618	19.4
149.13281	9.3
155.08548	8.5
157.10103	9.5
159.11668	35.0
161.09634	5.7
161.13271	19.7
163.03838	7.1
163.11177	13.9
165.08997	5.2
167.06953	5.1
169.10112	8.8
171.11667	18.3
173.13242	19.1
175.03908	87.6
177.05453	12.4
179.14290	4.3
183.11743	9.4
185.13226	7.2
187.03909	19.4
187.11232	5.2
187.14809	4.6
203.03453	5.2
211.14725	5.1
215.06850	4.4
215.17889	5.8
229.08624	26.1
229.19394	6.3
231.02814	5.6
231.10083	12.1
233.04405	5.7
239.18010	16.7
241.08647	15.5
243.10194	11.7
247.09654	47.5
253.86127	4.7
257.18939	43.1
259.09753	4.7
275.20062	74.7
293.20767	5.4
295.13348	4.9
313.14313	8.4
331.15176	8.6
331.22769	5.7
349.19785	22.0
349.23636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1392
Annotation	Achillamide
Peak:m/z	Relative Intensity
53.03918	0.6
55.01853	0.6
55.05507	1.0
60.04502	1.3
62.06062	0.5
67.05500	1.1
67.28613	0.4
69.03403	1.4
69.07054	0.7
69.51483	1.6
69.51907	1.9
70.06590	7.5
72.08156	2.8
72.14781	0.4
74.06096	0.4
79.05484	0.9
81.03410	1.2
81.07025	0.7
82.06565	1.1
84.04501	1.6
84.08147	3.1
85.02872	1.2
86.09242	0.5
86.09693	3.6
91.05472	0.8
93.07069	0.6
95.04955	0.6
95.08595	0.6
97.02860	0.7
97.06551	0.6
98.97602	0.5
99.07395	0.4
103.05450	0.5
105.03378	1.3
105.07005	0.9
107.04967	0.7
109.02875	1.1
110.06085	0.5
110.07166	1.2
116.07095	1.2
119.04978	0.5
119.08585	0.8
120.08120	2.8
120.08811	0.5
121.02854	0.6
124.07535	0.7
125.09685	0.5
127.03960	0.6
128.07092	2.2
129.10219	1.6
130.04906	0.6
133.10106	0.6
136.07574	0.9
143.08495	0.6
145.06439	0.7
152.07106	0.5
155.07251	0.5
159.07841	0.5
159.09126	1.0
169.07629	0.6
170.05945	0.7
171.09143	0.5
172.07623	0.5
175.03943	0.6
175.08690	4.1
182.08357	1.5
183.06805	0.8
183.09169	1.0
187.07341	1.0
187.08777	1.3
187.12282	0.6
188.07051	0.7
188.09296	0.6
189.10365	0.5
196.09959	0.9
197.07066	0.6
197.10794	0.7
199.08688	6.0
200.09346	0.5
201.06616	0.6
201.10237	1.7
202.05244	0.4
203.03474	1.2
204.08905	0.8
206.09447	0.6
210.07797	0.7
211.08754	4.1
211.12222	3.1
212.09453	1.6
213.10233	1.7
214.07234	0.8
215.08189	4.6
215.11761	3.8
217.09721	21.9
221.10678	0.6
224.09479	1.0
225.10202	2.3
226.08762	0.6
228.09035	0.5
229.09717	3.9
230.10434	1.7
231.11278	1.6
233.09302	0.7
239.08047	1.3
239.11801	8.5
243.07726	1.1
243.11334	7.2
251.11482	0.6
253.09743	1.2
257.09241	3.8
257.12811	3.9
258.10007	1.4
259.10693	0.7
261.12427	2.1
267.11288	11.1
271.10764	4.5
273.12262	1.7
275.10297	1.9
275.13287	0.5
285.12350	10.8
287.13965	0.9
289.11789	3.9
290.06586	1.8
295.10757	10.7
303.13348	4.2
307.12830	0.8
313.11777	20.8
314.12036	0.9
319.12784	4.1
321.07596	1.2
331.12869	30.1
331.16830	1.2
332.13226	1.1
349.06955	3.7
349.13916	100.0
350.08841	4.4
350.14136	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	348.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
53.43959	0.3
55.01859	0.9
55.05511	4.7
56.05036	3.3
57.03450	1.1
57.07101	0.5
57.67014	0.3
59.05036	0.4
60.04526	100.0
61.04871	0.4
64.29385	0.3
65.03938	0.6
67.05506	11.3
68.05024	0.7
69.03432	1.6
69.07079	3.5
70.06596	3.9
71.04993	1.2
71.53341	0.5
72.04507	2.0
72.08157	1.1
72.54155	0.3
74.06079	2.2
79.05492	9.0
80.05019	1.4
81.03433	1.6
81.07054	12.0
82.06559	1.9
82.07352	0.4
83.04977	0.9
83.08611	2.2
84.04507	1.3
84.08163	1.6
85.02921	0.9
85.06541	1.9
86.06102	0.8
86.09727	1.3
87.00851	0.4
90.05566	1.2
91.05486	7.9
93.07040	9.4
94.06573	1.9
95.04973	1.9
95.08604	9.9
96.08145	1.3
97.02896	0.6
97.06543	0.9
98.06094	0.7
98.98703	0.3
99.04426	0.7
99.08113	0.5
100.07623	0.8
100.11268	1.1
101.04303	0.3
101.09673	1.3
103.05465	0.4
105.03407	0.7
105.07033	5.8
106.06546	0.4
107.04964	0.7
107.08592	5.2
108.08131	0.7
109.02895	0.7
109.06540	0.9
109.10159	3.7
110.06034	0.7
110.09697	0.5
111.04498	0.7
111.08094	0.7
112.07614	0.7
116.07116	0.9
117.07025	2.2
119.08568	3.5
120.08134	1.6
121.02938	0.4
121.06533	1.1
121.10149	5.0
122.09663	0.8
123.08105	0.8
123.11716	1.2
124.07590	0.4
125.09659	0.7
127.03922	0.8
128.06175	0.4
128.07071	0.6
129.07024	1.3
130.06491	0.4
130.08661	0.7
131.08586	3.2
133.10129	3.6
135.08110	0.5
135.11678	2.9
136.06171	2.5
136.07672	0.5
137.09682	0.7
137.13297	0.5
140.14305	0.4
142.08723	0.5
143.08577	0.8
145.10117	2.7
147.04510	0.5
147.08130	0.5
147.11679	2.4
148.11246	0.7
149.09619	0.6
149.13271	0.9
151.11198	0.5
157.10147	1.0
159.11705	1.5
160.07532	0.7
161.13318	1.0
163.03891	0.4
163.11226	0.5
163.14789	0.7
164.07231	0.4
171.11659	1.1
172.07613	0.4
173.13242	1.5
175.03934	0.8
175.14780	0.5
181.12183	0.5
182.15501	0.4
185.13342	1.0
187.14685	0.6
199.14867	0.8
200.06993	0.8
203.17982	0.6
210.14908	0.8
215.18065	0.4
217.15930	0.4
228.06592	0.4
247.09657	0.4
252.23232	0.6
258.22235	0.6
259.20694	0.5
264.23117	0.7
270.07739	0.4
270.24292	0.7
276.23199	3.4
276.72665	0.6
288.08749	1.7
294.24301	6.4
312.25281	9.7
316.08203	1.2
330.26376	26.9
331.12659	0.5
331.26761	1.0
348.10733	3.4
348.20364	2.3
348.27435	57.0
349.10733	0.5
349.16702	0.8
349.20364	0.4
349.27774	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	348.2743
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
51.43145	0.8
55.05513	3.8
56.05035	3.4
57.03426	1.3
58.02959	0.7
60.04528	100.0
67.05512	10.7
69.07072	2.9
70.06595	1.9
70.98093	0.8
71.05015	0.9
72.04525	1.9
74.06090	2.1
74.38240	0.7
79.05492	8.4
80.05021	2.2
81.03443	0.8
81.07057	10.1
82.06591	2.7
83.08620	0.9
85.06568	0.7
90.05569	1.5
91.05488	8.5
93.07055	8.9
94.06606	1.5
95.04954	1.7
95.08611	10.1
96.08155	1.2
97.10221	1.0
98.06097	0.8
99.08112	1.0
105.07022	3.7
107.08586	5.4
109.10138	3.9
112.07668	0.9
116.07111	0.8
117.07043	1.6
119.08628	3.8
121.06607	0.7
121.10149	4.5
123.11699	1.3
125.09644	0.7
129.07004	1.2
130.07838	0.8
131.08594	2.7
133.10136	3.9
135.11713	2.8
136.11203	0.7
145.10143	2.0
147.11705	2.3
148.11255	0.8
151.11192	0.7
159.11697	0.9
161.13293	1.1
171.11649	0.8
185.13297	0.7
219.22125	0.7
222.18150	0.6
241.19543	0.8
258.22241	1.2
259.20505	0.8
264.23389	1.2
276.23264	4.3
294.24326	8.1
312.25336	11.0
330.26379	37.3
344.72260	0.7
348.27448	74.7
349.27954	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	348.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.0
57.07069	5.9
67.05497	24.1
69.07066	7.9
69.41138	4.5
70.59406	13.2
81.07049	6.7
85.06534	15.9
87.18998	5.1
89.70993	5.2
91.05473	9.1
109.10144	6.6
131.04903	5.8
147.04364	11.8
159.04436	9.8
163.03891	9.7
175.03902	100.0
177.05479	9.8
187.03886	38.6
189.05470	9.7
199.03929	12.1
226.06160	8.5
229.08554	25.4
231.10097	10.9
241.08713	31.7
243.10110	30.4
247.09688	61.1
295.13138	10.4
313.14410	23.8
331.15405	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	348.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.5
56.81030	6.6
67.05492	20.0
67.47643	7.0
69.07057	10.9
69.45229	11.1
69.45625	48.5
70.06548	7.0
91.05477	9.8
103.78085	6.4
103.87801	6.9
121.10130	7.3
147.04364	10.5
159.04356	8.8
175.03909	100.0
187.03914	65.0
199.03899	15.4
201.05617	7.6
203.03380	14.0
203.06920	7.4
211.07481	7.5
226.06223	25.1
229.08537	25.1
240.13441	7.3
241.08597	67.2
243.10158	34.0
247.09621	27.2
295.13232	24.9
313.14389	30.7
348.08163	7.9
348.31454	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	347.2216
Annotation	4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methylpentanoic acid
Peak:m/z	Relative Intensity
53.03931	1.2
55.01876	3.6
55.05514	4.1
56.96569	0.5
57.03424	1.8
57.07072	7.0
58.06585	1.7
58.07412	1.4
65.03922	0.8
67.05139	0.5
67.05505	11.4
69.03412	1.1
69.07066	4.6
70.06593	12.9
70.57461	0.8
70.57855	0.8
71.04987	1.0
71.06921	2.8
71.08630	2.8
72.08163	0.6
72.08952	0.4
74.90975	0.4
79.05073	0.7
79.05495	9.8
81.03408	1.7
81.06598	0.7
81.07057	11.6
83.04977	2.2
83.08600	2.0
85.06562	0.6
85.10159	1.2
87.04502	0.5
88.07096	0.8
88.07632	16.2
88.26691	0.4
89.07956	3.8
91.04965	0.8
91.05478	7.1
93.07053	6.7
95.04961	5.6
95.08595	7.8
97.02887	0.6
97.06512	3.9
97.10188	0.7
102.09171	10.4
103.05447	0.4
103.09489	2.7
105.07027	9.2
107.04942	1.5
107.07874	0.8
107.08590	11.6
109.02862	1.6
109.06525	3.9
109.10156	4.7
111.04434	1.2
111.08078	0.6
115.03927	3.0
115.05432	0.8
117.07025	2.0
119.08581	6.7
121.06485	0.6
121.10148	3.3
121.10886	0.6
123.04430	3.0
123.08055	2.1
123.11707	1.2
125.09657	1.0
127.03915	8.8
129.06989	1.6
131.08559	3.5
132.10257	0.6
133.06480	0.9
133.10138	5.6
135.04477	0.5
135.08063	2.8
135.11690	1.9
137.05978	1.0
137.09651	3.0
141.07018	0.7
143.08574	1.5
145.06490	0.5
145.10132	2.9
146.11768	0.5
147.08031	1.0
147.11665	2.4
147.34206	0.4
149.09630	1.3
149.13266	0.7
150.11256	0.6
151.03940	0.7
151.07539	0.6
151.11177	2.1
153.09055	0.5
155.07018	0.4
155.08531	0.5
157.10120	1.5
159.08113	1.0
159.11711	1.9
161.06038	0.5
161.09625	1.5
161.13240	1.2
163.03946	0.5
163.07544	0.5
165.12773	0.6
167.08481	0.4
169.01242	0.5
169.10168	0.6
171.08060	0.8
171.11682	1.1
173.13231	0.9
175.03896	2.3
175.07590	0.5
175.11252	0.5
177.09099	0.5
177.12785	0.7
179.08987	0.4
179.10617	2.0
183.02867	3.8
183.10158	1.1
183.11710	0.6
185.09671	0.9
185.13237	1.3
187.07481	0.5
187.11240	0.7
187.14734	0.6
189.09050	0.8
189.12787	0.6
197.11681	1.1
197.13327	0.8
199.11113	0.4
201.09079	1.2
201.12718	0.5
207.10191	1.6
208.14481	0.5
213.09082	1.7
213.12753	0.5
221.11696	0.7
225.11258	1.3
227.10614	1.0
229.12285	0.7
231.09929	0.6
231.13882	0.5
233.04449	0.5
244.03548	0.5
245.04535	0.5
255.13780	3.6
258.05228	0.8
261.03894	1.1
265.19464	0.5
272.03387	0.5
273.03873	1.5
273.14850	7.5
275.12872	0.4
284.29547	4.3
285.29813	34.2
287.05487	0.7
289.03430	0.8
289.18140	0.5
297.14767	1.5
300.02689	0.5
301.03452	1.4
301.21552	0.9
304.05859	1.0
305.21164	0.7
311.19931	0.7
314.04080	0.5
315.05142	0.8
315.15967	1.0
319.22653	1.9
329.17407	3.9
329.21140	8.5
329.32422	2.9
332.05231	7.5
333.05722	0.8
346.33014	0.5
347.07605	25.3
347.22241	18.1
347.33487	100.0
348.07819	2.3
348.22614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2215
Annotation	4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methylpentanoic acid
Peak:m/z	Relative Intensity
53.03946	30.8
55.01871	44.1
55.05509	18.4
57.03425	6.9
57.07061	6.2
61.58750	2.6
65.03935	4.6
67.05506	72.6
69.03417	7.0
69.07069	88.2
69.74483	4.1
69.74891	8.4
71.04993	5.7
73.02895	2.8
79.05497	49.5
81.03419	61.5
81.07055	100.0
83.04996	17.1
83.08622	8.4
85.06534	2.9
91.05478	45.9
93.07040	47.5
95.04964	42.0
95.08607	48.3
97.02863	5.7
97.05921	5.0
97.06524	71.8
97.10180	4.5
99.04446	4.6
99.08079	4.2
103.05465	3.8
105.07030	42.2
107.04964	19.2
107.08597	38.4
109.02888	11.8
109.06516	15.9
109.10159	24.2
111.04404	6.5
111.08096	4.8
115.03948	16.3
117.07007	15.5
117.35255	2.4
119.08580	23.3
121.06489	6.7
121.10110	12.8
123.04454	5.8
123.08090	8.5
123.11754	13.5
125.09585	10.8
127.02995	2.5
127.03927	50.7
128.06235	4.1
129.07001	8.1
131.08569	23.0
133.06483	6.2
133.10161	19.3
135.04234	2.6
135.08058	10.5
135.11696	19.0
137.06004	3.2
137.09604	10.0
137.13319	3.0
141.05501	3.7
141.07033	3.0
142.07809	2.5
143.08559	11.2
145.06416	2.8
145.10088	19.2
147.08029	5.8
147.11694	9.6
149.09627	11.1
151.07559	4.2
151.11197	11.7
152.95901	2.5
155.08513	3.6
156.03636	6.1
157.10130	7.0
159.11710	7.4
161.09660	2.9
161.13237	6.5
163.11180	5.7
165.09143	5.0
167.06993	2.5
169.08566	4.8
169.10030	3.7
171.11682	8.4
173.09578	3.7
173.13249	4.2
175.11240	3.1
175.14816	3.0
177.09128	5.0
179.14346	4.4
183.10112	4.1
183.11682	2.8
185.13268	11.3
187.11130	3.3
189.12746	8.5
195.11688	2.9
199.11255	5.0
203.14349	3.7
213.12733	6.9
217.12212	2.3
231.13863	11.5
249.14917	5.3
251.16460	5.4
256.71375	2.4
259.13281	4.0
275.20212	2.7
277.14389	7.8
299.31186	3.0
301.21561	2.6
319.22745	13.7
329.21082	14.7
347.17264	9.0
347.22113	79.5
347.25653	3.7
347.33499	4.9
347.67566	3.0
348.22513	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	347.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.05515	4.1
56.05036	4.4
56.96567	21.3
56.96848	1.4
57.03421	1.8
58.06592	1.5
60.04533	13.7
61.02928	1.2
63.24382	0.7
68.05023	1.1
69.03432	3.4
69.04549	0.8
69.07054	3.0
70.02944	0.7
70.06597	10.7
70.61625	0.9
70.61967	1.4
71.04978	0.6
72.08159	38.2
73.08498	3.2
74.02435	0.8
74.06089	10.2
74.97609	1.2
80.05031	0.8
81.03424	1.5
82.06570	1.3
83.06100	8.3
84.04509	27.1
84.08150	28.5
84.96030	9.3
85.02904	6.8
86.06049	0.8
86.09710	49.2
87.04484	0.8
87.05593	5.8
87.10038	0.9
87.87758	0.6
88.03983	2.3
95.04949	1.6
96.04498	1.3
97.02882	2.5
97.96814	0.9
98.97588	50.2
101.07156	10.5
101.10793	1.2
101.64114	0.7
102.05536	3.0
102.09203	0.7
102.97088	0.7
105.03386	4.0
105.06613	1.2
106.03707	0.7
106.05038	12.0
106.06527	1.1
108.08065	0.8
109.02813	1.0
110.07161	2.2
110.97570	9.4
112.07630	0.9
112.08752	0.8
112.99135	2.8
113.03493	2.3
113.07132	1.4
115.03917	0.7
115.08710	1.1
116.07063	1.4
116.98626	28.2
118.08665	0.8
119.91117	0.6
120.06542	1.3
120.08050	0.9
121.06493	0.6
122.04361	0.7
122.06014	1.1
123.04453	2.0
124.11231	0.8
124.99147	1.1
126.05576	1.2
126.09173	0.9
127.03913	2.5
128.07027	0.7
128.10730	3.2
128.98615	12.1
129.06601	4.4
129.10246	20.9
130.05006	20.8
130.06532	1.6
130.08644	3.0
131.00186	3.9
131.08174	1.3
132.10229	0.9
133.06082	6.1
134.99678	11.1
136.03976	0.7
136.06171	1.6
136.07593	1.4
138.05516	1.4
140.00146	1.5
140.07080	1.4
140.08141	0.6
140.98598	2.6
141.06607	1.5
142.12292	1.5
143.00175	7.4
143.01932	1.4
143.11787	2.7
144.06488	0.8
144.10242	0.7
144.98068	2.2
145.04971	1.8
146.99667	8.9
147.04388	0.9
147.07654	27.5
147.11311	5.7
147.57791	0.7
148.05986	1.3
148.08022	0.7
149.01222	2.7
150.05524	1.1
151.03926	1.1
152.07068	0.8
152.10710	1.3
152.98645	6.7
155.00174	1.4
157.06142	0.9
157.07526	1.0
157.09689	0.9
157.98955	1.0
158.01208	0.7
158.99661	9.4
159.07619	0.7
159.11337	0.8
161.01225	8.5
161.02930	2.1
161.12935	0.7
162.99152	3.1
165.00778	1.3
166.04958	0.9
166.69243	0.6
168.06500	1.3
169.04915	0.9
170.99655	8.1
171.14987	1.3
172.15276	3.2
173.01195	2.0
173.12875	20.7
174.99214	1.3
175.10698	0.8
177.00706	11.5
177.05743	0.9
179.02254	2.2
181.00145	1.1
183.11389	0.8
185.09198	8.2
186.11230	0.8
187.14426	18.6
189.00720	4.9
189.08763	0.9
189.12370	1.1
190.09627	0.7
190.95461	0.8
191.02298	2.2
196.14488	5.9
197.07188	1.4
197.12888	6.5
200.14522	0.9
201.00732	4.5
201.04245	1.8
201.12334	4.8
203.04015	0.9
212.10188	0.7
213.12323	0.9
214.15491	3.3
215.02327	0.7
215.13924	8.0
215.15810	1.0
216.09875	1.4
216.13480	1.6
217.08354	0.8
218.99783	1.3
219.01797	17.7
219.05325	1.2
219.13310	1.1
224.13982	1.6
225.12303	1.9
228.13460	1.5
235.09270	1.1
237.02826	27.3
238.03186	1.2
242.03476	1.0
242.15071	1.3
243.13438	1.2
248.95885	0.8
255.03732	1.9
258.14774	0.8
260.04556	0.7
261.06424	9.7
262.06760	0.9
279.07529	100.0
280.07806	5.4
287.09824	1.0
297.08591	17.6
298.08905	1.0
302.09079	6.6
303.07584	2.7
305.05524	0.9
305.09821	0.7
312.15497	2.0
320.10114	1.3
321.08542	16.0
329.18253	6.4
330.11700	0.8
330.16461	1.1
347.06485	2.8
347.13156	2.1
347.23169	10.5
348.12820	1.4
365.07510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1853
Annotation	Gelomulide J
Peak:m/z	Relative Intensity
55.01857	2.5
55.05515	4.8
57.07059	3.9
59.04988	2.0
65.03934	2.6
67.05507	18.0
68.54062	0.9
69.03426	1.7
69.07057	2.9
69.35504	8.3
70.57697	1.0
71.04982	2.2
79.05496	5.8
81.07046	5.0
83.04919	1.2
85.06546	13.1
87.37769	1.1
91.05468	7.7
92.79295	1.1
93.07043	5.1
95.04956	1.3
95.08592	3.8
97.06451	1.1
105.07039	5.2
107.04964	1.4
107.08584	4.0
109.10150	4.3
115.05442	1.4
117.07002	2.6
119.04936	1.4
119.08585	5.2
121.06499	1.4
121.10110	2.5
123.11730	1.0
128.06201	1.8
129.07019	2.1
131.04857	1.9
131.08553	3.8
133.06499	2.1
133.10126	4.2
135.04414	14.5
135.11534	1.1
142.07784	1.5
143.08569	4.2
145.06390	1.2
145.10109	4.5
147.04398	4.7
147.08057	2.9
149.02306	1.3
149.05936	1.7
155.08508	2.8
157.10135	2.8
159.04456	6.2
161.05923	1.6
161.09663	2.4
163.03879	1.3
167.08513	1.9
169.10094	1.6
170.10904	1.1
171.04491	1.8
171.08012	5.4
171.11723	1.6
172.08910	2.1
173.05963	4.0
173.09630	5.8
175.03888	3.4
175.07544	3.0
177.05515	2.0
179.03404	4.3
183.08054	1.5
184.08896	1.1
185.09573	5.7
186.06732	1.4
187.07547	7.8
187.11244	1.6
188.08272	1.5
189.05537	2.5
189.09109	24.6
191.03377	40.1
193.04901	1.5
197.09560	1.8
199.07507	3.0
199.11130	1.4
201.05527	1.4
201.09090	20.0
203.03439	5.3
203.10672	2.6
212.08344	1.2
212.11917	1.4
213.09093	19.8
213.12625	1.2
215.03436	6.1
215.06987	1.6
215.10652	2.8
217.04930	1.8
217.08528	7.8
219.02942	1.5
219.10210	3.0
222.10349	1.2
225.09082	3.0
226.09804	1.2
227.10622	4.5
227.14200	5.3
229.04912	1.2
229.08641	1.9
229.12262	7.1
231.06531	1.5
231.10165	6.2
237.12744	1.8
240.11469	3.8
241.08510	1.6
241.12218	1.4
242.05783	3.7
243.10213	5.6
245.08078	6.4
245.11749	1.8
255.10243	3.5
255.13805	65.7
257.08072	11.1
259.09644	10.0
261.11285	4.8
263.09174	16.6
269.15390	2.4
273.14853	100.0
273.18195	3.5
274.15100	2.4
275.09125	3.7
275.12747	6.3
287.09149	1.1
287.12823	1.7
297.14853	14.2
315.15851	10.5
329.13806	8.1
329.17441	58.1
330.17825	1.4
332.05209	2.2
347.07718	8.7
347.14838	1.4
347.18674	15.7
347.22269	3.3
347.25558	1.7
354.53586	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.149
Annotation	Ponalactone A
Peak:m/z	Relative Intensity
55.05499	3.4
56.81036	0.9
56.97187	0.8
57.07075	2.2
59.04992	2.6
59.54921	0.8
62.88602	0.8
65.03932	2.2
67.05177	1.3
67.05507	15.4
69.03415	3.9
69.07062	1.8
69.53664	0.8
70.25027	0.8
70.97540	0.9
70.97872	1.9
71.04979	2.2
79.05498	2.1
79.43253	0.8
81.03414	1.1
81.07079	5.1
83.04977	2.2
83.08609	1.3
85.06544	5.2
91.05487	11.0
93.07041	1.7
95.04984	1.4
95.08597	3.0
97.06550	1.0
103.05451	4.3
105.03408	1.4
105.07028	4.0
107.08599	6.7
109.10162	9.5
111.08092	1.0
115.05447	2.2
117.07021	2.6
119.04941	3.9
119.08601	1.6
121.02858	2.4
121.06496	0.9
121.10128	1.2
125.09544	1.1
128.06219	4.0
129.07010	2.2
129.99335	0.9
131.04930	4.9
131.08537	0.9
133.06516	1.4
135.04359	1.0
137.09610	2.6
141.07001	1.6
142.07869	0.8
143.08571	2.4
145.06470	1.5
147.04424	15.5
147.08087	1.3
151.03848	2.0
153.07021	1.4
154.02637	1.1
155.08536	1.5
156.04134	1.2
157.06491	1.4
157.10065	1.3
159.04422	5.3
159.11710	1.4
163.03876	1.5
167.03447	1.0
169.01334	1.4
171.04474	2.3
171.08078	3.4
173.02388	1.1
173.06013	4.5
175.03912	100.0
176.04283	2.0
177.05447	1.8
183.02873	17.7
183.07965	1.0
185.05969	2.4
185.09605	1.3
187.02260	1.9
187.03909	25.8
189.01779	1.2
189.05481	4.6
198.06786	1.9
199.03902	12.8
199.07550	3.9
201.05408	7.9
203.03465	11.7
203.07037	69.3
204.07358	2.0
213.05455	8.1
213.08905	1.0
215.03590	1.3
215.07039	8.3
216.06847	1.1
217.08569	5.6
221.04567	0.9
223.07700	1.0
226.06288	3.8
227.07025	13.9
228.07616	1.3
229.08638	4.0
233.04442	2.7
239.07008	1.6
241.08609	19.1
243.10207	4.0
244.03653	2.2
244.07549	1.4
245.04326	1.8
245.08104	39.2
246.08398	1.7
247.06053	1.3
248.06744	1.1
253.08755	1.3
254.09169	1.0
255.06345	1.4
257.08011	4.1
259.05984	1.9
259.09689	2.7
261.03961	4.3
269.08200	3.0
269.11722	19.5
271.66061	0.9
272.03220	2.1
273.03967	6.4
273.06808	1.1
275.05554	1.8
276.06235	1.7
283.13251	2.5
287.05551	3.1
287.12793	49.0
288.13235	1.5
289.03448	3.3
293.11755	2.4
300.02737	1.0
301.03497	7.0
301.14297	1.3
303.04892	2.4
304.05768	3.7
311.12787	15.3
314.04163	1.5
315.04941	5.7
317.02731	1.6
329.13828	38.5
330.14148	1.7
331.04489	1.3
332.05280	29.6
347.07626	97.1
347.14087	9.5
347.22205	1.7
348.07907	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	347.1851
Annotation	Gelomulide J
Peak:m/z	Relative Intensity
51.64433	1.1
69.67481	2.8
69.67894	5.1
79.05524	1.2
79.60611	1.2
140.99138	1.1
142.07770	2.0
143.08536	3.4
157.10141	4.9
165.07069	1.5
171.04451	2.3
171.08043	4.3
172.08829	4.3
173.09647	2.2
185.09627	14.5
187.11160	1.6
189.09172	1.3
195.07994	2.7
197.09654	2.3
198.06842	1.3
199.11154	1.6
201.09102	3.7
209.09642	1.3
212.08376	3.7
212.11969	1.6
213.09106	36.1
222.10425	1.3
225.09111	4.4
226.09981	1.3
227.10719	9.6
227.14203	9.4
229.12259	10.2
231.10144	3.3
237.12738	8.2
240.11440	10.9
243.13770	1.3
255.10222	10.6
255.13799	100.0
256.14267	1.7
269.15399	7.7
273.14841	64.5
274.15240	1.9
297.14841	35.6
298.15286	1.6
315.15878	9.1
329.17468	78.9
330.17776	3.1
347.33545	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	347.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89877	1.6
53.03939	5.4
55.05509	21.7
57.03439	3.3
57.07060	2.2
59.04996	2.5
65.03928	4.5
67.05500	16.9
69.03410	2.3
69.07059	4.2
70.06584	1.9
71.04994	14.1
71.18534	2.9
79.05482	4.7
79.18005	1.3
81.07055	7.5
83.04977	43.9
84.08115	1.8
85.06547	9.3
86.69530	1.4
87.25119	1.4
91.05470	12.0
93.07051	4.4
95.04942	3.4
95.08593	4.2
97.06515	2.4
101.06017	34.7
103.05471	2.6
105.07027	6.2
107.04971	1.8
107.08580	4.8
109.02879	2.5
109.10120	3.2
115.05410	1.5
117.07001	2.2
119.04960	2.6
119.08569	3.2
120.46469	1.5
121.10155	2.8
125.09554	1.5
128.06267	2.7
129.06985	4.1
131.04948	16.2
131.08592	1.6
133.06499	1.4
141.06990	2.0
143.08556	2.0
145.06491	3.2
145.10205	1.6
147.04420	13.1
149.05948	1.8
153.07001	1.5
155.08516	3.8
157.06531	2.3
159.04424	24.6
159.08055	2.6
161.06039	2.1
163.03900	7.3
171.08046	2.2
173.06018	2.0
175.03908	100.0
176.04292	3.3
177.05443	4.1
181.06415	1.7
183.08043	2.8
185.05980	2.4
187.03935	15.1
187.07478	7.4
189.05472	14.2
191.03415	1.6
199.03903	10.3
199.07596	4.1
201.05478	8.4
203.03419	7.8
203.07011	1.8
213.05449	4.0
215.07002	16.7
216.06548	1.6
217.05019	3.4
227.07031	24.1
228.07800	3.5
229.05095	2.7
229.08568	28.7
229.10640	2.0
233.08072	40.7
237.16394	1.6
239.06998	6.3
241.08635	10.5
241.10841	2.1
243.10161	12.5
245.08124	15.0
247.09642	22.3
253.08658	3.8
255.06740	1.6
257.08154	8.7
262.44696	1.4
271.09732	4.5
275.09164	1.7
281.11816	7.1
289.10632	2.9
299.12704	17.5
311.12903	2.7
315.04849	1.9
317.13800	14.3
329.21182	1.7
332.05164	4.5
347.07626	11.1
347.15100	7.9
347.22971	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	347.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.01855	2.1
55.05520	11.3
57.03442	2.2
59.04998	12.2
60.04533	9.7
67.05495	8.4
69.03091	3.5
69.03437	51.9
69.07059	5.7
69.22704	19.3
69.34673	1.7
70.06598	3.5
71.04988	8.3
72.08148	3.5
79.05481	8.6
81.03416	4.2
81.07073	10.4
83.04973	7.2
83.08623	3.8
85.06561	3.8
91.04990	1.9
91.05489	12.1
93.07045	13.4
95.04960	5.4
95.08607	15.0
97.06538	2.3
99.04432	4.1
100.11235	5.8
103.05456	2.2
105.03361	2.6
105.07035	7.4
107.04954	3.9
107.08588	7.5
108.49825	1.7
109.02901	2.0
109.06519	5.1
109.10179	4.2
111.04457	2.6
111.08085	4.6
115.05423	2.8
117.06981	4.4
119.04916	5.3
119.08594	5.3
121.06516	2.3
121.10132	12.1
123.08057	3.5
125.09627	3.0
128.06245	3.9
129.07002	4.3
131.04938	24.3
131.08571	6.1
133.06464	2.3
133.10121	3.4
134.09650	4.6
135.08087	2.8
137.09639	5.7
143.04892	1.9
143.08505	5.3
145.06496	2.6
145.10164	3.3
147.04425	15.1
147.11612	2.7
149.09566	2.2
153.07143	2.9
155.08479	3.1
157.10193	3.3
157.60973	1.8
159.04420	53.0
159.11697	2.1
163.03957	4.9
165.06989	1.9
171.04370	3.0
171.08069	3.7
171.11674	2.2
173.06035	7.0
175.03911	100.0
176.04626	2.8
185.09576	2.6
187.03908	63.5
187.07491	3.0
188.04277	2.7
189.01822	7.3
189.05525	4.7
197.04424	2.8
197.06096	2.6
198.89999	2.1
199.03879	14.1
199.07556	25.9
201.05431	13.0
201.09123	2.1
203.03409	6.9
203.07098	3.0
211.07428	2.3
212.04704	2.1
213.05476	10.9
213.16637	1.9
215.06993	14.4
217.04977	1.9
217.08539	3.9
219.06537	6.1
225.09047	2.2
227.06976	10.0
229.05130	2.7
229.08609	18.8
239.07018	7.0
241.08594	72.2
243.10075	2.8
245.08051	9.8
247.06039	17.8
247.09573	4.8
253.08627	9.0
257.08118	17.3
259.09607	13.2
269.08078	8.0
269.11688	5.5
271.09549	2.9
275.96454	2.3
285.11313	3.1
287.12881	4.4
293.11716	5.8
306.15958	2.1
311.12799	16.1
311.23904	4.7
329.13913	24.4
329.20895	2.6
329.25043	6.6
330.14029	3.1
332.05261	3.2
346.75931	2.4
347.07620	5.0
347.14059	2.5
347.22864	5.3
347.26337	5.0
357.90903	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47479	1.3
51.28130	1.2
53.03935	4.9
53.70633	1.2
55.01851	1.3
55.05275	1.6
55.05515	23.5
57.03436	2.0
57.07067	2.2
59.04992	2.1
65.03935	1.7
67.05509	10.1
69.03417	4.2
69.07061	8.6
69.72791	8.1
70.06588	2.8
71.05000	12.4
72.08160	1.4
73.06526	1.9
79.05481	5.3
81.03406	3.2
81.07066	9.1
83.04983	44.5
83.08631	3.0
84.08153	1.6
85.02908	1.6
85.06536	5.6
86.09688	1.4
91.05471	13.3
93.07055	6.0
95.04963	1.9
95.08588	4.9
95.57108	1.4
97.02876	2.6
97.06552	1.9
97.10161	3.1
98.20822	2.4
101.05395	2.4
101.06022	34.9
103.05453	1.4
105.07028	7.9
107.04931	2.8
107.08599	5.7
109.02855	2.6
109.06525	2.4
109.10156	2.9
111.56291	1.2
115.05476	2.3
117.07017	3.4
119.04948	3.2
119.08558	5.2
121.10135	3.3
121.57209	1.2
122.09633	3.1
125.09627	5.4
127.03975	1.9
128.06190	4.1
128.91495	1.4
129.06946	3.7
129.53297	1.4
131.04912	15.4
131.08539	4.8
133.02800	1.4
133.06445	1.2
133.10098	3.3
135.08023	3.0
139.50290	1.2
143.08557	3.4
145.06490	2.8
145.10135	2.3
147.04424	17.4
147.08028	2.0
147.11682	1.6
149.09656	2.6
151.03897	1.7
157.06421	2.0
157.10117	2.9
159.04439	15.1
159.08105	2.3
159.11690	1.8
161.05925	2.1
163.03867	4.6
171.04408	2.1
171.08011	3.1
173.05984	6.1
175.03915	100.0
176.04355	3.6
177.05504	6.2
179.03406	1.8
183.02925	1.6
185.05992	3.1
185.09651	1.7
187.03908	26.1
187.07526	3.6
189.05429	12.0
189.12823	1.4
191.03444	1.6
197.05901	1.7
199.03886	7.3
199.07567	5.6
201.05449	10.1
203.03413	3.1
203.07019	6.0
203.12775	2.7
205.05026	2.6
211.07562	3.0
213.05424	5.2
215.07024	10.7
217.04927	2.4
217.08571	3.1
219.02870	2.1
226.06239	2.1
227.07014	29.1
229.05119	2.1
229.08591	28.3
231.06525	2.8
231.10098	4.6
233.08072	10.4
239.07016	3.8
241.08568	10.5
243.10100	5.7
245.08217	7.4
247.09691	28.3
250.25763	1.5
253.08595	3.2
257.08060	22.2
258.08661	1.6
259.09579	6.8
271.09674	7.6
275.09229	2.7
277.10410	1.3
281.11722	3.2
287.12631	2.2
289.10611	3.9
299.12787	15.8
311.12677	6.2
317.13956	10.6
329.13806	7.5
329.17426	2.3
329.21280	1.5
332.05301	6.7
347.07278	20.4
347.14716	3.6
347.22580	6.5
348.07834	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	347.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.1
55.05511	13.6
56.05041	3.3
59.04990	12.1
60.04515	11.8
63.94148	2.5
65.03938	3.4
67.05492	10.9
69.03427	45.5
69.07061	5.7
69.25483	16.6
69.25906	9.8
70.06585	4.1
71.04984	11.8
79.05478	9.4
81.03423	6.0
81.07047	11.5
82.62215	3.1
83.04964	7.4
85.06559	3.9
90.11859	2.5
91.05466	12.9
93.07027	10.6
95.04964	8.0
95.08612	16.4
98.21495	4.9
99.04419	3.4
101.06012	3.7
105.07028	13.1
107.08595	10.2
108.43903	3.3
109.02868	4.6
109.06473	3.4
109.10149	6.7
111.08058	4.2
115.05457	3.7
117.06986	3.9
119.04910	6.1
119.08566	11.1
121.02854	4.4
121.06557	4.5
121.10131	4.6
123.08034	4.6
127.03947	3.4
128.06165	3.6
129.07014	2.7
131.04935	17.5
131.08585	7.4
133.10141	5.5
134.90440	2.5
135.08002	3.2
135.11716	3.7
137.09628	6.3
143.08556	4.0
145.10081	3.8
147.04404	15.6
147.11705	3.4
149.09615	4.6
153.07224	2.8
155.08507	3.8
157.06439	4.7
157.10150	5.9
158.05905	3.1
159.04416	64.6
163.03891	4.8
171.04410	3.9
171.08084	4.8
171.11583	3.5
173.05952	6.5
173.13161	4.2
175.03911	100.0
176.04462	3.3
179.03531	4.1
185.05997	3.7
187.03899	64.4
187.07549	6.4
189.01907	6.3
189.05447	5.7
191.03430	3.9
193.08617	3.1
197.13495	2.8
199.03961	13.2
199.07507	23.8
201.05489	5.8
203.03329	4.4
213.05450	9.1
215.06990	11.6
227.07040	9.4
229.08534	20.2
231.06494	3.5
239.07098	8.0
241.08574	70.0
243.10303	5.2
245.08116	10.4
247.09650	6.8
253.08583	5.0
257.08032	26.4
259.09665	9.5
269.08105	7.8
269.11649	3.6
271.09439	5.0
287.12766	3.2
293.11887	4.4
311.12814	20.3
311.23843	6.2
329.13919	25.9
329.17416	5.2
329.24979	10.3
332.05255	11.3
347.07629	25.6
347.14764	4.4
347.22351	7.1
347.26053	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	347.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82767	2.5
53.03936	3.5
53.37165	2.3
55.01860	11.1
55.05514	100.0
56.05028	3.8
57.03433	14.0
60.04523	5.4
61.01137	2.5
61.88070	2.4
67.05494	3.9
68.05019	3.5
69.03426	25.7
69.03783	3.3
69.07052	2.9
69.69058	9.6
69.69465	5.2
70.06597	34.7
71.01334	3.4
71.04984	6.4
71.70349	2.5
72.04489	2.6
72.08159	12.4
73.02927	2.7
74.06074	4.5
78.02755	2.2
79.05475	5.1
81.02971	2.3
81.03414	9.9
81.07046	5.9
83.04973	6.3
83.08154	3.9
83.08622	64.5
84.04486	8.6
84.08144	16.6
85.02912	31.8
85.06527	5.1
86.09702	23.6
87.00839	13.1
87.04471	6.2
87.05602	3.1
88.02217	3.2
91.05479	8.6
93.07041	4.1
95.04977	5.0
95.08601	5.5
97.02888	29.7
97.06510	6.2
98.06081	3.7
98.20833	3.2
99.04448	5.2
99.05585	5.7
101.09632	2.5
105.01871	7.7
105.07036	3.4
107.08612	3.5
109.02876	6.6
109.06533	2.4
110.07151	8.7
115.03929	52.2
116.07080	5.6
119.04922	3.8
120.08102	7.4
121.06505	6.5
121.10133	4.1
124.07562	5.3
125.02337	4.8
125.09598	2.5
127.03909	6.8
129.10229	9.6
130.08626	2.7
132.04788	2.9
133.04970	11.1
136.07607	5.8
137.05997	10.1
138.09145	3.5
139.09464	2.5
148.07600	2.5
149.05957	13.7
151.07515	9.9
152.06151	2.9
153.06941	9.0
158.05991	3.0
159.05870	4.7
161.04462	19.9
161.54378	2.8
166.08672	5.4
167.09018	4.9
167.10660	12.5
169.06529	3.8
173.12837	3.2
177.09212	3.1
179.05537	2.6
181.06482	17.4
185.07100	9.3
185.11725	7.2
189.09111	2.7
195.07979	3.3
197.05957	11.0
198.06799	2.8
201.03947	4.5
207.04497	5.7
209.05952	4.6
211.07600	11.4
213.09134	10.3
219.04991	9.0
225.05524	3.7
241.08519	11.3
247.04582	3.7
258.06369	3.9
258.08881	36.7
271.09631	5.6
272.10400	44.1
273.11209	19.6
275.54022	2.4
303.13809	15.3
311.10184	2.8
314.11530	2.6
315.13431	4.6
347.12427	13.0
347.16211	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	347.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01865	8.1
55.05510	100.0
57.03431	9.3
67.05499	3.3
67.96667	3.3
69.03427	21.3
70.06590	6.6
70.98109	6.5
71.04980	4.5
72.08133	3.9
73.02906	3.5
77.19078	2.4
78.43062	2.7
79.05485	3.4
81.03410	6.8
83.08615	63.3
84.08141	7.1
85.02899	25.6
85.12994	2.3
86.09698	17.7
87.00823	9.6
87.04460	6.6
87.10036	7.4
97.02893	28.6
97.06543	3.2
99.04469	2.7
101.07099	2.4
101.09666	4.0
105.01842	6.2
108.50899	2.3
109.02914	6.8
110.07231	2.7
112.68277	2.2
115.03934	51.5
121.06499	2.5
125.02319	4.0
127.03922	3.6
133.04944	12.0
136.06219	2.8
136.07677	2.5
161.04468	23.3
169.84781	3.6
179.05461	3.5
193.80229	2.6
200.18460	4.5
201.03883	7.3
219.04996	9.0
247.04488	6.3
329.10852	2.9
347.13089	45.9
347.16940	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	347.1237
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
52.60711	0.5
53.03947	1.0
54.72452	0.7
55.01875	4.7
55.05505	1.2
56.05013	0.6
60.04525	6.6
65.77036	0.5
67.05487	1.7
69.03410	1.9
69.07054	1.4
70.06586	4.2
71.04993	0.8
71.53057	0.8
72.08140	2.1
75.81229	0.5
79.05480	1.9
81.03424	1.5
81.07057	4.3
83.04972	1.1
83.08641	0.6
84.04504	1.0
84.08129	2.8
85.02905	1.3
85.06532	1.6
86.09703	3.8
91.05468	2.3
92.05839	1.0
93.07030	3.0
94.06567	0.7
95.04951	1.1
95.08601	2.0
97.02870	1.0
97.06516	1.1
99.04459	0.8
99.08094	0.8
105.03380	2.9
105.07030	1.9
106.07350	0.8
107.08584	2.1
108.04461	1.2
109.02866	1.3
109.10147	1.3
110.06034	0.8
110.07167	1.0
117.06973	0.7
119.08575	1.8
120.08104	2.5
121.06480	1.2
121.10155	2.1
122.05979	0.8
123.04471	1.1
123.08179	0.8
125.09685	0.6
127.03954	0.8
129.10278	0.8
130.06541	0.6
131.08501	0.8
133.10103	0.9
135.04382	0.7
135.08093	0.9
136.07593	1.6
137.05956	1.1
137.09596	0.7
138.05534	0.7
138.09143	1.6
140.07040	0.8
141.06921	0.6
141.40463	0.6
143.08527	1.3
147.04488	0.9
148.07576	0.9
151.03975	1.1
151.19751	0.7
152.07210	0.9
153.06960	0.6
155.08470	0.6
158.06049	0.8
159.11501	0.8
160.04027	0.9
161.06003	0.9
162.05522	1.0
162.09128	1.7
164.07034	1.0
167.07161	0.9
167.08511	0.7
167.10672	1.1
168.08150	1.1
170.08315	0.8
171.09239	1.5
176.07094	1.0
178.04980	2.2
179.03366	1.3
183.09236	1.0
184.07608	1.3
185.07124	3.0
186.09192	1.2
187.05032	1.6
196.07571	1.2
198.07727	1.1
198.09305	1.0
199.08713	4.7
201.06604	3.4
201.10330	1.0
203.07117	0.8
205.06174	0.7
209.10683	0.9
210.09050	1.4
211.08685	2.2
212.09262	0.9
213.06679	5.0
213.10274	5.8
219.07683	0.7
223.08583	0.9
225.06677	0.8
226.07303	0.8
227.08250	6.9
227.11734	2.4
229.09764	3.2
231.07660	3.9
231.17871	0.9
233.08011	1.0
237.10193	2.1
238.08652	3.0
239.08212	1.2
239.11777	1.1
241.09746	5.3
243.11263	1.2
245.09227	1.1
255.07616	9.9
255.11278	5.9
256.10214	0.9
257.09207	1.6
257.12891	1.4
259.10806	1.1
265.09756	3.7
267.07642	1.7
269.09177	8.3
273.08740	5.6
275.10144	0.9
278.17499	1.4
283.10764	18.6
286.11880	1.9
287.10229	3.3
293.09244	5.5
301.11771	4.6
311.10251	35.6
312.10532	2.4
319.12827	2.4
329.11316	66.0
330.11649	2.5
347.12372	100.0
347.26523	3.3
348.12622	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	347.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38449	1.8
55.05503	3.9
56.96563	18.4
57.03418	2.8
67.68243	1.8
69.03412	3.2
70.06592	3.3
71.08401	3.5
72.08150	2.2
84.08146	9.8
84.96027	6.8
85.02912	10.6
86.09712	5.3
96.12373	1.8
97.02907	3.7
97.96799	2.2
98.97581	60.8
105.03376	12.4
110.97558	15.1
112.99158	3.1
116.98611	24.2
118.92694	2.1
119.01905	4.1
124.99149	2.8
127.03942	2.7
128.63103	2.2
128.98610	15.0
129.10213	6.1
131.00157	5.1
131.01859	1.8
134.99652	7.7
140.98621	3.7
143.00146	10.4
143.01884	3.5
145.03467	2.2
146.99614	8.8
147.11304	3.1
152.98557	9.1
155.00151	2.6
158.99677	10.9
161.01216	7.4
161.02950	4.9
162.99120	2.7
170.42873	2.1
170.99654	8.1
173.01225	2.6
177.00735	8.3
186.04782	2.2
189.00763	2.9
191.02295	2.7
193.41893	2.0
219.01781	20.1
237.02821	27.2
249.08226	2.0
251.04303	2.2
261.06323	9.6
279.07498	100.0
280.08194	2.1
297.08563	23.8
302.09296	5.6
310.30527	2.1
321.08493	17.8
325.88742	1.9
347.07288	7.6
347.13123	6.0
347.22928	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	347.0761
Annotation	Laciniatin
Peak:m/z	Relative Intensity
57.37851	0.2
61.48793	0.2
65.03919	0.3
68.99783	0.5
70.65697	0.9
81.07057	0.3
82.32195	0.3
93.03413	0.4
107.04955	0.3
108.72493	0.3
119.04939	0.7
119.08498	0.3
121.02841	1.2
135.04437	0.5
137.06003	1.0
138.83257	0.3
139.00275	1.2
146.03630	0.9
147.04385	1.4
148.03957	0.3
149.02342	0.5
151.03928	1.4
161.05946	0.4
164.04694	0.8
168.00552	1.0
169.01355	2.2
173.02309	0.3
173.11838	0.4
175.03926	0.5
183.02873	1.1
185.00876	0.6
185.41682	0.3
186.01642	1.0
191.03470	0.3
199.03883	0.5
201.01859	0.3
203.03429	0.8
205.05093	0.5
215.03499	0.7
216.04175	1.0
217.05042	0.3
231.06441	0.5
233.04457	2.3
243.02859	0.7
244.03683	3.0
245.04465	3.2
247.02327	0.4
258.05264	0.6
259.06155	0.4
261.03964	8.0
272.03174	4.9
273.03934	10.3
286.04828	0.5
287.05585	2.8
289.03433	10.0
290.03809	0.4
300.02673	3.1
301.03436	20.2
302.03839	0.8
303.04993	1.4
304.05627	0.6
314.04324	0.6
315.04962	6.3
317.02927	3.6
331.04526	2.3
332.05261	58.1
333.05579	2.5
347.07611	100.0
348.07938	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96752	2.3
55.05510	15.6
57.03434	6.5
57.28502	2.6
59.05011	3.8
65.03967	2.5
67.05500	61.6
67.05839	4.0
69.03422	5.2
69.07062	9.7
70.02363	6.8
70.02754	4.1
70.06610	3.3
71.04976	4.8
77.96758	2.2
79.05499	14.3
81.03451	2.9
81.07054	26.3
83.04990	3.2
83.08630	10.0
84.04511	3.6
84.76844	2.6
85.06566	5.0
91.05457	17.4
93.07034	16.9
95.04967	4.4
95.08608	20.6
97.06517	6.1
97.10175	12.0
98.20869	4.0
98.97609	3.4
103.05482	2.8
105.03415	3.8
105.07042	10.0
107.04921	2.3
107.08594	23.1
107.23449	2.5
109.06526	3.2
109.10155	55.3
109.10847	4.4
111.08083	4.0
112.33084	2.4
117.07036	4.4
119.08605	9.6
121.06506	2.5
121.10130	5.6
125.09664	8.8
126.90874	2.5
131.08545	4.6
133.10167	6.0
137.09648	7.0
145.10115	6.5
147.11690	5.9
149.09621	3.5
149.13293	3.6
149.71571	2.4
151.03891	3.5
155.10661	12.2
157.10143	2.8
158.63368	2.3
160.41942	2.7
161.02403	3.1
163.03870	3.3
170.93538	3.3
173.11742	100.0
175.03951	9.7
183.02867	4.8
187.03954	2.9
189.09850	2.6
189.11240	15.8
195.13797	5.4
203.07036	7.4
210.09090	2.9
213.05482	2.8
213.14836	3.5
217.01392	5.3
219.03017	3.8
220.03278	3.3
221.03444	2.7
245.07988	6.2
261.04004	4.9
269.11725	3.1
273.03934	3.3
275.20044	25.5
287.12799	6.8
293.21030	6.5
301.03424	4.4
311.12595	3.2
314.10986	3.3
329.13779	5.9
331.03918	3.6
332.05252	18.3
340.50662	2.9
346.06412	16.3
346.13074	5.6
346.20551	3.6
347.07614	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2588
Annotation	Broussonetinine B
Peak:m/z	Relative Intensity
53.03956	1.1
55.01871	1.0
55.05515	2.4
56.05030	2.1
57.03438	0.9
57.07085	0.4
60.04528	100.0
61.04848	0.4
65.03934	0.5
65.48504	0.3
67.05507	8.8
68.05029	1.3
69.03422	0.8
69.07076	3.1
69.62883	0.6
69.63284	1.4
70.06600	2.1
71.04992	0.7
71.80904	0.3
72.04517	5.6
72.08163	1.4
74.06082	1.4
79.05495	8.1
79.05914	0.6
80.05029	1.6
81.03425	0.9
81.07059	15.0
82.06572	1.6
83.04990	1.1
83.08620	0.8
84.04520	1.3
84.08163	0.7
85.02914	0.7
85.06529	2.1
86.06097	0.5
86.09707	3.5
90.05564	1.3
91.04909	0.5
91.05483	9.7
93.07046	8.9
94.06576	1.4
95.04980	1.1
95.08610	7.5
95.09179	0.6
96.08152	0.9
97.02905	0.7
97.06532	1.3
98.06071	0.8
99.08098	5.2
100.07633	0.4
102.05538	1.5
103.05518	0.4
105.03380	0.4
105.07030	6.2
106.06584	0.6
107.04971	0.8
107.08599	3.7
108.08082	0.4
109.06537	0.7
109.10165	2.4
110.06057	0.7
110.09673	0.4
111.08093	1.0
112.07625	1.1
115.05492	0.3
116.07090	1.9
117.07018	2.8
119.08569	4.6
120.06603	0.4
120.08112	0.9
121.06529	1.3
121.10139	3.6
123.08086	0.8
123.11691	0.8
123.81894	0.3
124.07576	0.8
125.09662	1.2
128.06248	0.8
129.07013	1.1
131.08553	3.5
132.08130	0.5
133.10117	3.4
134.09695	0.4
135.08040	0.8
135.11696	2.3
137.09624	0.7
138.09160	1.1
142.08650	0.7
143.08591	1.2
145.10118	2.6
147.08092	0.8
147.11697	1.3
149.09596	0.5
149.13260	0.7
150.09248	0.3
150.71596	0.3
154.21510	0.3
155.08539	0.5
156.10309	0.4
157.10164	1.0
157.13321	0.4
159.11652	1.5
160.09834	0.3
160.11166	0.4
161.09631	0.3
161.13254	0.8
162.07645	0.6
169.10080	0.6
171.11745	0.9
173.13274	1.0
175.14810	0.9
177.12706	0.3
183.11664	0.3
187.11211	0.7
189.16339	0.5
194.15361	0.5
196.13431	0.6
197.13208	0.5
201.12436	0.9
201.16362	0.4
203.17921	0.3
213.16508	0.4
214.14348	0.5
215.18022	0.8
230.17563	1.0
239.18068	0.3
251.20122	0.6
256.20786	0.4
257.18988	0.6
262.21655	0.5
274.21536	1.7
275.20044	0.8
292.22726	3.1
293.20978	0.4
310.23743	5.6
328.24829	19.3
329.25076	0.7
346.25888	97.0
347.26129	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	346.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74804	0.7
57.07079	7.8
58.06593	1.2
63.51900	0.8
67.05505	1.5
69.06726	1.0
69.07069	10.0
70.06593	16.2
70.07924	1.9
70.08320	1.5
71.08617	3.0
81.07000	0.6
85.06539	0.7
85.10182	1.7
88.07632	23.1
91.05478	2.4
102.09187	14.5
111.04414	0.8
117.71697	0.6
119.04932	0.9
125.42635	0.6
130.80556	0.7
131.04953	1.2
132.10268	0.9
146.11755	0.9
147.04434	6.0
159.04407	1.6
163.03900	2.3
175.03915	74.2
176.04272	1.6
187.03915	4.4
187.07512	1.1
201.05446	2.5
229.08604	18.1
230.08961	0.8
240.27036	0.8
247.09669	76.3
248.09972	3.4
264.97198	0.7
265.10727	1.8
277.01746	0.9
284.29486	41.2
328.32150	1.9
332.05515	1.0
346.20758	2.6
346.33167	100.0
347.07520	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2999
Annotation	Aggreceride C
Peak:m/z	Relative Intensity
55.05505	15.9
57.03436	8.8
57.07077	100.0
58.13684	2.9
58.58455	2.9
64.72370	3.1
66.84601	2.9
67.05507	36.2
69.07062	20.5
70.49001	3.5
71.08632	84.4
79.05483	7.0
81.07062	43.7
83.08620	27.1
85.06543	4.4
85.10187	39.3
93.07077	3.2
95.08605	65.1
97.10178	27.1
98.21531	8.6
107.08605	4.1
109.10175	37.7
111.11709	6.6
113.13303	3.2
116.54387	3.7
119.08569	3.7
123.11694	20.1
131.08638	4.2
137.13252	8.0
139.28130	3.0
235.24185	5.1
253.25317	19.9
313.14359	14.2
327.28885	71.2
345.17209	4.2
345.25616	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	346.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74804	0.7
57.07079	7.8
58.06593	1.2
63.51900	0.8
67.05505	1.5
69.06726	1.0
69.07069	10.0
70.06593	16.2
70.07924	1.9
70.08320	1.5
71.08617	3.0
81.07000	0.6
85.06539	0.7
85.10182	1.7
88.07632	23.1
91.05478	2.4
102.09187	14.5
111.04414	0.8
117.71697	0.6
119.04932	0.9
125.42635	0.6
130.80556	0.7
131.04953	1.2
132.10268	0.9
146.11755	0.9
147.04434	6.0
159.04407	1.6
163.03900	2.3
175.03915	74.2
176.04272	1.6
187.03915	4.4
187.07512	1.1
201.05446	2.5
229.08604	18.1
230.08961	0.8
240.27036	0.8
247.09669	76.3
248.09972	3.4
264.97198	0.7
265.10727	1.8
277.01746	0.9
284.29486	41.2
328.32150	1.9
332.05515	1.0
346.20758	2.6
346.33167	100.0
347.07520	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1696
Annotation	Gibberellin A117
Peak:m/z	Relative Intensity
55.05497	2.3
57.03434	0.6
57.07057	1.5
60.23751	0.6
61.19950	0.6
67.05499	1.8
71.19486	0.6
71.19783	0.9
79.05478	0.8
81.07040	1.1
91.05452	0.9
91.40086	0.5
105.07033	0.7
107.08587	0.8
119.05018	0.8
119.08509	0.6
128.06163	0.8
128.09747	0.6
129.06966	1.1
131.04912	0.8
141.06972	1.1
143.08577	1.3
154.07803	0.7
155.08545	1.6
157.10030	1.1
159.04468	1.2
165.07022	1.0
167.08470	0.9
169.06479	0.9
169.10127	2.2
171.04419	1.5
171.07976	0.9
175.03922	1.7
175.34717	0.8
179.08586	1.1
181.06509	0.7
182.07338	0.8
183.04425	1.2
183.08040	1.6
183.11647	0.7
185.06010	1.5
185.09612	1.6
187.03961	3.2
195.08096	0.9
197.06007	1.9
197.09659	1.9
198.06802	1.4
199.03899	5.3
199.07542	1.9
201.05434	4.1
207.08058	0.9
210.06754	2.1
211.07574	3.4
212.04707	1.7
213.05476	2.3
213.09079	2.2
215.06985	6.4
223.07559	1.4
224.08499	0.8
225.09131	6.6
226.06250	0.8
227.07028	4.2
229.08583	7.8
235.07512	1.1
237.09071	0.9
239.07109	3.1
239.10704	1.0
239.14470	0.9
240.07771	1.9
241.08589	12.7
243.10182	1.9
251.10786	0.8
252.07822	0.8
253.08623	11.4
253.12204	2.2
254.09039	0.9
255.10197	2.0
259.09601	6.5
265.08566	2.1
266.09454	1.3
267.13794	2.6
269.11765	4.6
271.09723	0.9
275.17749	0.7
280.10999	3.0
295.13272	16.5
296.13742	0.9
303.15884	1.0
313.14334	100.0
314.14630	5.4
327.15887	16.6
345.16992	4.3
345.25400	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	345.1694
Annotation	Isomurralonginol isovalerate
Peak:m/z	Relative Intensity
55.05508	9.4
59.04979	3.7
65.03948	4.8
67.05505	26.8
69.07070	22.2
70.77789	3.5
71.05000	7.7
73.06551	16.4
79.05502	3.2
81.07077	3.1
85.06561	2.9
91.05486	8.0
93.07044	4.3
95.08602	2.6
99.04484	3.1
99.08098	34.6
103.05477	3.3
105.07065	2.7
107.08590	3.2
108.31123	1.8
109.10153	3.8
115.05444	2.4
115.68541	1.8
117.07024	3.0
119.04955	4.4
121.10097	3.9
128.06255	2.5
129.06990	3.9
131.04936	16.9
132.04344	1.5
137.06015	1.8
141.06995	2.4
142.07767	2.8
142.61015	1.5
143.04915	2.8
143.08624	1.8
145.06480	2.8
147.04398	11.9
155.08553	3.4
157.06554	1.7
159.04437	17.9
159.08086	2.4
163.03902	6.2
171.04417	11.1
173.05971	5.6
175.03917	100.0
176.04260	2.9
179.08658	1.6
183.08011	2.6
184.08701	2.5
185.06018	2.6
185.09660	2.3
187.03909	75.6
187.07513	4.8
188.04239	2.1
189.05461	6.4
191.08621	1.9
195.08110	4.9
197.06049	2.0
197.09578	1.6
198.06802	4.7
199.03920	34.7
199.07503	2.6
201.05443	13.5
203.03406	10.5
203.07047	3.5
206.14502	1.9
211.07587	2.8
212.04532	2.2
213.05504	9.3
213.09273	1.8
215.07072	11.6
217.05026	1.9
217.08641	6.0
223.07561	2.3
226.06230	26.5
227.06996	5.9
228.07764	10.7
229.08612	44.0
239.06978	2.7
241.08598	73.3
241.11063	3.6
242.09053	3.8
243.10176	39.7
245.08141	10.0
247.09698	11.0
253.08542	8.3
255.10107	2.8
257.08066	4.0
259.09625	4.3
271.09671	5.1
273.11163	10.1
295.13287	15.8
313.14337	43.3
313.17780	1.5
314.14612	2.2
327.23236	2.4
345.06064	3.9
345.13126	3.3
345.17053	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	345.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
56.05037	0.7
56.96527	0.5
59.78139	0.4
65.03909	0.5
70.06564	1.3
71.40858	0.7
72.08137	1.8
78.82037	0.4
79.05482	0.8
81.03383	0.6
83.06092	2.1
84.08147	2.6
84.74445	0.5
85.02881	0.6
86.03534	2.1
86.09696	1.1
91.05463	0.7
95.06084	1.7
104.05006	0.8
105.03378	1.4
105.05672	0.7
105.07057	0.5
106.06553	1.1
111.05564	5.5
112.08715	0.5
117.53292	0.4
120.04486	3.9
121.03974	1.0
123.04476	0.5
123.05521	1.3
125.05905	0.9
126.06656	2.6
129.10245	1.8
130.06485	0.9
132.04456	25.2
132.08087	0.9
134.05133	0.6
134.06029	6.3
137.04657	2.4
137.05940	1.3
147.04338	0.6
148.03873	0.8
150.05510	4.2
151.06155	11.8
151.07405	0.6
158.05994	0.8
166.07214	0.8
173.07018	0.5
187.08664	0.9
194.06732	4.3
195.07487	0.8
199.05023	0.8
202.09767	2.0
203.08124	1.5
216.11366	0.7
230.09253	1.4
231.07672	1.8
232.10730	2.2
242.09254	5.6
257.10321	4.9
258.08731	1.0
259.11877	10.0
284.11450	4.8
301.14169	0.8
302.12494	16.1
303.12964	0.6
327.11963	3.1
328.13062	0.8
345.13007	100.0
346.13330	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80276	1.3
52.17359	1.5
53.03946	1.6
55.01863	1.7
55.05511	3.7
56.05025	3.3
57.03438	2.2
58.06605	1.5
60.04529	6.8
60.05648	2.6
64.51717	1.8
67.05499	2.4
69.03442	7.0
69.07056	6.4
69.31999	1.2
69.34801	1.5
70.06593	38.1
71.05018	2.0
71.06926	3.5
71.51691	1.3
72.00878	41.1
72.08160	37.6
72.93761	1.3
73.02908	1.9
74.06071	3.3
79.05509	2.4
81.03423	4.2
81.07039	2.4
82.06579	2.9
84.04498	9.9
84.08146	28.1
85.02911	10.3
85.08464	1.4
86.09711	38.7
86.70582	1.3
86.99038	7.1
87.04447	1.4
87.10045	1.9
88.03987	2.1
91.05477	3.7
93.07054	2.1
95.04978	3.6
95.08637	1.8
95.50464	1.3
97.02886	4.0
99.04475	1.8
103.05447	1.9
105.03397	4.2
107.04933	3.4
107.08586	2.0
109.02888	3.7
110.07175	3.9
112.08725	4.5
115.08649	2.6
116.07090	5.5
118.08680	1.9
119.04936	1.6
119.08560	1.6
120.08092	3.0
121.02871	30.1
121.03980	6.2
121.06522	1.3
124.07617	2.0
127.03922	2.3
129.06552	1.8
129.10260	20.0
130.05066	1.9
130.08667	1.9
131.04990	3.2
133.02829	2.5
136.07530	3.1
137.06004	9.3
137.06924	1.6
138.09189	4.0
143.11789	5.5
145.04982	2.0
147.04439	2.1
147.11295	1.6
148.03900	2.9
148.06024	1.9
157.09749	1.8
161.33353	1.6
163.07413	1.6
165.05443	3.5
165.06807	1.6
166.05000	100.0
167.05421	1.5
171.11278	1.6
171.14958	1.8
173.07048	2.2
175.11900	3.3
181.06392	1.8
183.11305	2.5
189.06599	5.9
191.07030	7.1
202.77509	1.5
231.04407	1.7
238.06476	1.8
241.13245	1.6
257.07874	1.6
267.10147	2.6
313.10721	8.7
314.11325	2.2
319.36267	1.6
328.12927	3.9
345.15607	25.5
345.22086	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	345.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05514	1.3
56.05031	1.7
56.96553	2.7
57.03421	1.3
60.04509	1.4
60.05636	1.2
61.02918	3.1
63.06142	0.7
66.72332	1.0
69.03436	6.8
69.07077	1.3
70.06593	19.8
71.04974	1.1
71.51413	1.5
72.08156	21.8
73.02909	3.9
74.06065	1.4
79.05483	0.9
80.05038	0.9
81.03415	3.0
81.07086	1.2
82.06581	1.6
83.04989	1.2
84.04471	1.8
84.08141	13.7
85.02907	11.1
85.23206	0.8
86.09703	28.4
87.04445	2.6
87.05580	2.1
91.03964	0.9
91.05483	1.8
92.05000	3.1
93.04515	3.3
96.04521	0.9
97.02892	4.7
98.06020	1.0
98.97565	2.2
99.04437	1.3
105.03336	2.1
109.02885	1.6
110.06009	1.9
111.05547	1.2
112.08713	3.3
116.07090	1.9
116.98634	2.2
118.06569	1.6
119.01952	1.1
119.06064	22.8
120.04495	5.3
120.08105	1.9
121.03991	20.8
122.06079	1.6
123.04402	1.1
123.05622	0.9
127.03951	2.4
129.10236	8.4
132.04446	3.4
133.06091	7.1
134.06018	1.1
134.99692	1.0
136.07610	1.8
137.06046	2.0
137.07098	5.9
138.05489	1.6
143.11806	1.5
145.04874	0.9
146.99602	1.4
147.04486	1.7
147.05508	6.5
148.03911	4.9
148.06316	30.5
148.07506	1.7
149.07109	24.5
150.05554	1.8
151.06148	1.5
152.68813	0.8
154.89279	0.9
158.09230	1.4
162.05476	1.0
164.07118	1.3
165.06599	100.0
166.07359	6.5
173.02901	0.9
175.11890	1.6
177.00702	1.3
179.16994	1.0
183.07654	55.9
185.16486	10.2
186.04665	1.5
208.06107	1.3
213.15968	4.6
222.82721	1.0
232.14047	1.1
242.09113	1.2
257.10391	1.0
259.11893	2.0
275.38528	1.0
302.12509	3.0
345.12936	90.7
346.13419	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2432
Annotation	Broussonetine V
Peak:m/z	Relative Intensity
53.03946	1.3
54.48079	0.7
55.01877	2.0
55.05520	3.0
55.23822	0.7
56.05043	3.1
57.03433	0.8
57.16853	0.7
59.21828	0.7
60.04528	100.0
60.65379	0.6
65.03960	1.1
67.05505	5.7
68.05020	1.2
69.03432	1.7
69.07070	20.1
69.45010	3.0
69.45441	3.3
70.06597	2.9
71.05003	1.7
72.04530	3.2
72.08150	4.4
73.06562	1.6
74.06091	1.1
79.05497	11.3
80.05034	1.9
81.03428	3.4
81.07051	8.5
82.06593	1.4
83.04974	1.1
84.04494	0.9
84.08154	1.5
85.02918	1.3
85.06549	1.2
86.09725	2.6
90.05530	0.7
91.05489	9.9
93.07049	7.7
94.06586	2.0
95.04939	3.6
95.08616	4.6
96.08138	0.9
97.06507	3.6
98.06023	1.5
99.08123	0.8
102.05517	1.1
103.05498	0.7
105.07038	8.2
106.06559	0.7
107.04961	2.1
107.08598	3.4
108.08118	1.3
109.02911	1.2
109.06525	1.7
109.10164	1.9
111.08096	1.3
112.07610	0.9
116.07097	1.1
116.10746	1.9
117.07039	3.6
118.30556	0.7
119.08578	7.7
120.08117	1.6
121.06536	1.3
121.10172	2.2
125.09636	5.1
128.06247	1.7
129.07028	2.3
131.04930	1.2
131.08574	5.8
133.06522	1.0
133.10147	3.5
135.11765	1.6
136.11259	0.9
137.06036	1.2
137.09624	2.1
143.08571	2.6
145.06483	0.9
145.10141	2.3
147.11687	1.7
149.09583	1.0
151.11171	1.2
155.08472	0.9
157.10107	2.1
159.08147	0.8
159.11743	1.6
160.11258	1.2
161.09691	1.6
167.07111	0.8
170.11678	0.8
171.11732	0.8
171.14943	1.3
173.09608	1.0
173.13371	0.9
175.11192	1.2
177.12779	0.8
178.12206	0.8
182.12752	0.9
189.09152	0.9
191.07042	0.9
196.13367	0.8
199.14505	1.0
201.16278	0.8
213.16399	0.7
214.14418	1.6
249.18613	2.2
267.19476	1.6
272.20209	1.8
273.18597	1.3
290.21304	2.5
291.19547	1.9
300.19666	2.1
308.22205	9.3
313.10733	2.1
326.23264	34.7
327.23843	0.9
344.24341	85.4
345.06226	0.8
345.09961	1.2
345.13687	2.0
345.24643	3.4
362.09259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36832	0.4
56.96305	0.5
56.96560	7.4
59.73803	0.4
70.08558	0.5
70.65345	0.6
70.65687	1.1
71.95254	1.3
87.45966	0.4
98.97585	21.5
102.96845	0.7
116.98626	20.2
117.98946	0.6
119.01913	3.4
120.97885	0.6
134.99654	14.7
135.00677	0.8
137.02957	1.5
140.00169	0.6
142.03499	0.8
153.00671	2.5
158.01239	1.1
158.99959	0.5
159.35988	0.5
160.04626	0.6
177.00954	11.9
178.01025	1.2
182.99947	1.4
190.95396	0.7
192.98621	0.7
201.00903	4.5
208.96552	0.5
210.88904	0.4
216.98834	0.4
219.02008	100.0
220.02075	7.0
221.02190	0.6
228.90182	0.6
230.93388	0.5
232.96516	1.1
234.99980	0.9
236.99550	0.8
238.95639	0.9
242.03625	6.4
246.91118	0.7
250.97765	0.7
256.96591	9.2
257.96722	1.3
258.96463	0.5
258.99841	1.6
261.00082	0.7
261.03073	2.8
263.02869	1.0
270.91101	1.1
272.94302	1.0
274.94595	0.7
274.97583	7.5
275.98111	0.6
277.00940	2.2
278.01114	0.5
279.00934	0.6
279.98239	1.8
280.96643	1.0
283.00006	2.3
284.99875	1.4
288.92120	2.4
290.95587	0.7
292.95627	0.8
292.98471	3.2
298.97690	32.4
299.97687	2.7
301.01099	3.2
302.01144	0.5
302.97733	0.6
303.00763	3.1
303.97989	0.7
306.93228	0.7
314.95532	0.5
316.93405	1.3
318.95071	2.6
319.44882	2.4
319.94449	1.9
320.98315	0.5
321.99271	5.7
325.93954	0.7
327.95471	1.5
328.44635	1.7
328.94913	1.3
329.44321	0.8
330.93744	0.6
339.88797	1.0
339.94418	0.5
345.01953	0.9
345.07779	0.8
348.88943	1.1
355.86075	0.6
356.93442	0.6
357.89423	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89717	4.0
51.40587	3.5
55.01871	6.3
55.05513	58.4
57.03435	12.2
57.07083	34.9
58.97580	4.2
59.68946	4.4
67.05508	64.6
69.03461	5.5
69.07065	80.5
71.04981	11.0
71.08638	24.5
79.05488	46.5
81.07057	100.0
82.45248	4.4
83.04986	6.4
83.08614	53.5
85.06568	6.5
85.10167	10.6
87.04552	4.6
88.75438	4.3
91.05476	8.0
93.07040	70.2
94.07391	4.2
95.04971	9.8
95.08608	88.6
97.06535	27.2
97.10172	38.6
99.08114	5.2
103.03915	5.1
105.07037	16.5
107.08604	56.0
109.10150	39.3
111.08092	12.0
111.11731	12.9
121.10149	91.9
123.11734	15.5
125.09605	11.5
132.50308	4.1
135.11682	60.3
137.13261	14.6
139.11230	8.7
145.10066	9.1
147.11681	8.3
149.13326	31.2
151.14801	10.3
153.12732	5.4
160.14662	4.7
162.02394	4.9
163.14867	10.4
167.14384	4.9
171.08092	4.6
175.04007	5.3
177.16423	9.5
233.22650	79.7
240.23340	8.0
251.23712	53.1
269.24884	9.6
325.27350	34.0
333.09409	4.3
343.14215	6.3
343.22644	10.5
343.28546	9.8
368.19266	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01867	1.8
55.05497	4.3
57.07076	2.3
65.03928	1.6
67.05509	15.9
69.07079	1.6
69.45293	10.0
72.00883	20.6
73.17547	1.2
77.03940	1.8
79.05479	4.7
81.03419	2.2
81.07047	9.8
89.52829	1.3
91.05502	8.9
93.07049	12.7
95.04978	3.8
95.08607	100.0
96.08931	1.6
97.06469	1.3
102.22050	1.2
105.03401	3.5
105.07030	5.2
107.04949	4.4
107.08608	5.0
113.06057	1.7
115.05446	3.4
117.07018	2.6
119.04951	2.5
119.08587	10.1
121.06487	4.2
128.42268	1.2
129.07005	1.8
131.04951	2.8
131.08574	1.4
133.02861	11.2
133.06480	1.4
134.03636	3.1
135.04424	20.2
138.23343	1.3
141.06993	2.2
144.05637	1.7
145.02852	3.5
145.06519	1.7
147.04401	5.4
151.03900	4.9
153.07033	1.8
155.08513	3.2
157.06543	2.0
159.04301	1.8
165.05516	5.4
165.07034	4.0
168.05629	1.6
173.05998	1.7
176.04648	1.5
178.02638	2.0
178.05006	20.2
178.07686	3.1
179.08543	1.6
181.06480	2.6
182.07301	3.5
183.08151	2.2
185.06111	2.3
185.09624	1.4
189.05511	2.1
190.04982	20.5
192.06514	1.5
193.10156	3.6
195.08005	1.8
196.08850	2.0
197.09660	3.8
202.05009	4.9
203.06996	1.9
204.06532	1.7
211.07561	4.4
211.11194	4.6
216.06647	4.8
218.04497	2.8
221.09651	2.4
223.11113	1.9
239.10646	24.4
256.09521	1.7
265.65683	1.5
266.11765	1.6
267.10132	6.0
271.13190	2.6
284.12833	28.4
285.10999	2.0
312.12262	2.1
317.13742	3.0
345.06152	5.0
345.17920	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03934	5.7
55.01864	5.4
55.05518	18.2
57.03416	8.9
57.07063	8.8
57.65577	2.8
59.04976	9.5
67.05505	34.5
69.03419	13.2
69.07047	8.3
69.73624	5.7
69.74036	11.4
71.04987	21.2
79.05149	2.4
79.05502	29.6
81.03399	5.5
81.07049	34.8
83.04948	5.2
83.08591	2.9
85.06528	8.1
91.05479	34.9
93.06484	4.6
93.07042	78.4
95.04383	3.6
95.04972	67.2
95.08611	91.6
97.06519	19.6
100.19721	2.7
105.07034	89.9
107.04938	6.2
107.08584	60.6
109.06512	22.2
109.10151	8.0
111.08045	4.3
115.05461	8.5
117.07022	38.6
117.18342	2.5
119.08579	31.9
120.62020	2.6
121.06528	17.1
121.10152	25.3
123.08066	35.8
128.06233	4.5
129.06993	6.0
130.07799	19.7
131.08519	11.7
133.06476	6.8
133.10138	15.2
135.08081	26.9
135.11687	15.2
137.09573	5.4
142.07730	4.3
143.08557	16.5
145.10127	100.0
146.10449	3.3
147.08028	15.8
147.11667	7.6
149.09621	7.4
151.07536	57.5
154.07860	2.6
156.09311	4.2
157.10109	12.5
159.08052	5.5
159.11679	8.6
161.09604	15.8
161.13184	3.8
163.11174	69.1
165.06995	4.1
165.09087	20.3
167.08478	3.8
168.09378	3.3
169.10103	7.5
171.11676	13.7
173.09576	8.5
175.11208	4.5
177.09102	8.1
179.07002	7.4
179.08493	4.1
180.09294	2.7
183.11668	5.7
185.09689	3.8
185.13220	5.5
187.11172	7.9
189.05423	4.4
189.12762	15.1
191.14241	4.9
193.10104	2.9
194.10844	2.8
195.11703	2.8
197.13293	5.2
199.11163	3.8
201.12752	4.4
203.14288	12.4
207.10071	4.8
207.13762	6.0
208.12634	3.3
211.14844	4.0
215.14259	4.5
217.12294	4.4
219.11685	2.8
221.13351	5.9
221.15291	32.9
223.11263	4.3
223.14897	5.0
225.12833	3.3
225.16399	5.0
227.14398	2.6
233.15276	5.2
238.13533	8.6
239.14116	5.9
243.13945	4.5
245.15486	4.6
263.16391	9.9
269.15573	2.9
283.13333	11.1
284.13464	3.1
286.19315	6.1
287.16660	4.3
297.18448	5.0
307.20520	3.2
325.14148	3.0
325.21628	12.6
343.15405	8.9
343.22656	99.7
344.23206	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	343.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
55.01864	2.7
55.05495	2.3
57.03427	4.9
57.07051	1.4
59.04995	1.2
60.04516	3.8
61.02933	4.7
67.05493	1.8
69.03427	17.9
69.07066	2.3
70.06571	3.4
71.05002	5.3
72.08134	3.6
73.02907	3.0
75.38203	0.8
79.05494	6.0
81.03416	18.2
81.07048	10.4
83.04987	6.0
84.04497	1.2
84.08124	2.6
85.02901	38.7
85.06535	3.2
86.09697	3.9
87.04475	1.4
91.03953	2.3
91.05481	6.1
93.07040	12.1
95.04964	20.0
95.08613	2.1
97.02891	15.3
97.06557	4.5
99.04463	4.9
105.07034	7.4
107.04955	1.6
107.08586	11.2
109.02872	10.5
109.06526	2.5
109.10207	0.7
113.06009	11.2
116.07073	1.7
117.06976	3.9
119.08561	4.7
121.06473	4.1
121.10139	12.7
123.04474	0.9
125.05985	10.4
127.03918	22.1
130.07787	3.6
131.08582	1.0
133.06491	1.4
133.10139	2.1
135.08087	1.1
135.11681	7.8
136.07530	1.0
137.05962	2.6
143.08539	1.3
145.04933	9.0
145.10109	16.7
147.08012	1.4
149.05998	1.0
161.09587	2.2
161.85854	0.9
163.11176	100.0
164.11555	3.1
165.09052	1.4
165.13007	0.8
167.06975	1.6
175.11151	2.2
181.04933	2.7
181.12222	20.8
182.12491	0.9
183.10124	1.8
187.11223	1.3
205.12254	2.2
213.03897	1.1
223.13300	2.3
254.17451	1.5
307.15567	1.3
308.22034	1.3
325.16617	1.0
326.23196	1.9
343.17017	1.5
344.24042	1.3
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
50.20872	2.4
53.03936	5.4
55.01865	6.6
55.05509	21.2
57.03423	11.4
57.07072	11.9
59.04988	5.8
60.73755	2.3
67.05509	36.3
69.03419	10.7
69.07063	12.6
69.33161	23.3
71.05003	19.9
79.05489	26.4
81.03397	5.1
81.07066	35.1
82.36243	2.5
83.04967	10.5
83.08621	3.8
85.06542	5.3
87.04459	5.2
91.05483	40.6
93.07043	82.7
95.04974	67.9
95.08608	85.1
97.06533	16.5
103.05434	5.3
105.07037	87.9
107.04962	4.3
107.08601	55.0
109.06544	18.4
109.10132	8.0
111.08075	4.7
115.05439	9.7
117.07024	35.6
119.08585	32.3
121.06520	17.5
121.10123	19.9
123.08064	34.6
125.06019	3.6
128.06226	5.4
129.07001	7.4
130.07799	20.6
131.08582	14.5
133.06491	8.3
133.10149	19.7
135.08061	26.4
135.11703	19.5
136.08351	3.0
137.09621	4.2
141.06964	3.2
142.07761	5.1
143.08586	12.8
145.06439	4.7
145.10129	100.0
147.08064	15.2
147.11697	5.3
149.09625	6.6
151.07555	46.7
153.09079	4.2
155.08557	4.5
156.09373	3.0
157.10159	13.9
159.07988	3.4
159.11697	10.7
159.97922	2.6
160.97284	6.7
161.09645	11.1
161.13309	5.4
163.07498	3.6
163.11186	73.0
165.06973	2.6
165.09131	16.2
166.07758	3.2
167.08560	3.9
169.10130	5.9
170.10915	2.6
171.11674	8.9
173.09633	6.5
173.13187	2.7
175.11168	9.1
177.09111	7.5
179.07079	5.9
181.10051	5.9
183.11758	4.8
185.09654	2.7
185.13237	7.2
187.11159	6.0
189.12756	11.3
191.14345	4.2
193.10167	3.7
195.11761	4.1
197.13226	7.3
199.14870	4.1
201.12753	3.1
203.14352	9.8
207.13797	6.9
209.13297	4.5
209.15326	5.4
211.14844	3.0
215.14259	3.8
221.13177	3.8
221.15335	33.7
223.14685	2.7
225.12802	4.4
231.13707	3.4
233.15367	5.7
240.23299	2.6
241.15985	3.7
243.13623	3.1
259.09598	3.0
263.16425	5.7
269.15460	4.0
286.19366	5.1
287.16455	4.4
325.17953	5.4
325.21603	13.8
343.19174	4.6
343.22665	88.2
344.23163	6.0
344.31802	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.05511	8.1
56.10117	2.2
57.03434	5.9
60.04523	5.3
61.02898	2.6
63.54130	2.3
64.99915	2.4
65.03962	2.8
67.05508	9.5
67.91457	2.8
69.03423	12.1
69.07076	4.3
70.06598	28.4
71.04974	5.0
71.51776	2.8
71.52168	4.1
72.08154	8.4
75.45061	2.5
79.05497	6.7
81.03412	12.9
81.07061	15.4
83.04977	8.4
84.04502	4.8
84.08138	12.0
85.02914	17.3
86.09703	15.1
86.89214	2.3
87.10023	3.1
91.05481	28.9
93.07056	15.9
95.04982	20.0
95.08608	10.5
97.02940	6.7
97.06528	6.2
99.04465	5.9
103.05500	4.2
105.03375	3.1
105.07030	7.5
107.04981	5.5
107.08600	11.0
109.02898	8.7
109.06521	8.6
109.10172	4.8
111.04511	2.8
116.07101	5.0
117.06979	3.6
119.04951	38.3
119.08578	5.3
120.08125	3.0
121.02862	5.8
121.06509	6.4
121.10147	9.5
123.08126	4.1
123.11649	2.9
125.04394	2.5
125.06015	3.0
127.03905	8.0
129.10280	4.1
132.02022	2.8
133.02872	18.2
135.04440	3.9
135.08061	3.2
135.11703	8.0
136.07530	2.4
137.05994	12.6
137.09674	3.4
140.04712	3.8
141.07185	2.4
144.60101	2.3
145.06488	3.4
145.10123	6.1
147.04416	28.0
147.07957	2.6
149.05956	4.1
149.67081	2.6
150.06738	2.3
151.03946	3.1
151.07518	2.6
153.05487	3.7
163.11191	24.4
175.03923	52.6
177.05547	3.4
179.07014	4.0
179.29712	2.6
181.04959	28.1
181.12241	16.5
190.04968	3.9
201.05414	6.2
207.06525	100.0
285.07730	3.1
293.07935	3.1
297.11353	4.6
307.09808	4.8
325.10895	8.8
325.21609	2.8
343.08118	6.2
343.12350	13.3
343.23087	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	343.021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93986	1.0
56.96566	11.6
68.44042	1.2
69.28353	8.4
69.28761	1.7
78.29912	1.4
98.97579	45.4
99.97910	1.6
116.00228	1.6
116.98621	39.9
118.98270	1.4
119.01919	3.1
131.58238	1.1
134.01208	2.0
134.99649	24.8
135.99930	1.2
140.30878	1.6
150.97505	1.2
153.00679	3.9
158.01230	1.4
172.43057	1.1
174.97644	6.6
175.97772	2.3
176.97391	4.9
177.00919	7.8
179.00694	2.2
183.06125	3.2
192.98761	6.5
194.98450	5.6
201.07227	3.7
206.27783	1.3
208.96445	1.4
210.96553	1.3
216.95377	2.4
216.98711	15.1
217.98845	3.0
218.03624	2.0
218.98503	9.8
219.01942	14.4
220.02058	3.1
221.01727	3.5
222.97792	1.2
232.96400	1.6
234.96526	9.7
234.99782	34.9
235.96518	1.2
235.99953	5.6
236.99500	26.0
240.98906	3.6
242.03809	1.1
250.97478	2.4
252.97543	11.9
253.00912	2.5
256.96558	1.8
258.01263	2.8
258.96567	5.6
258.99930	29.5
260.00040	5.5
260.04636	2.0
260.99686	5.3
261.03076	12.9
261.99619	1.1
262.03098	2.4
263.03091	1.2
264.98947	2.4
274.97504	6.1
275.98102	2.6
276.02417	3.3
276.97546	31.8
277.00970	30.3
277.98239	1.3
278.00995	6.8
278.97229	1.2
279.00626	7.2
282.96872	1.7
282.99957	49.7
283.06247	4.1
284.00122	7.3
291.99945	1.3
292.98575	4.8
294.98749	6.9
299.98044	1.6
300.97549	38.1
301.01031	100.0
301.97629	3.4
302.01151	15.5
303.00891	2.2
304.00864	2.3
314.95181	1.4
316.98755	3.3
317.98959	4.1
318.98624	78.8
319.02115	4.5
319.98767	5.0
324.02655	3.7
325.01019	7.7
336.99643	4.0
342.00269	6.8
342.98508	11.0
343.02097	49.2
343.08633	4.0
344.02332	8.1
360.99609	33.6
361.03329	13.5
361.99622	2.5
362.03488	2.5
366.03662	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	343.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96307	2.0
56.96567	30.5
57.03421	1.0
69.03422	1.9
70.06592	7.4
70.31419	3.7
72.08150	2.6
74.97636	1.1
75.36937	1.0
81.90496	1.1
84.08160	5.6
84.96016	2.0
85.02895	4.2
86.09682	1.8
97.02905	1.9
98.04128	1.0
98.97586	100.0
110.07168	1.1
110.97572	21.4
112.99111	3.5
113.66110	0.9
116.98627	63.5
128.98601	30.1
129.10217	3.2
130.93257	3.4
131.00162	3.7
134.99673	22.2
140.00159	3.3
143.99692	1.5
146.99666	16.3
147.07671	1.2
149.01216	1.7
150.98123	2.4
153.00706	1.8
156.89713	1.0
158.01227	1.7
158.99625	2.2
165.00693	1.7
168.00931	1.3
168.99232	14.9
170.99683	5.0
172.94452	1.5
174.95975	1.2
177.00732	3.9
180.58476	1.1
181.06105	1.5
182.99707	2.6
186.01952	1.8
187.00278	70.2
189.00725	8.5
190.95451	3.0
201.00665	4.0
205.01334	50.4
207.01797	2.2
210.01872	2.2
211.00232	7.8
219.01700	2.0
223.00301	3.5
228.03015	2.0
229.01328	46.4
231.01781	2.7
232.96469	1.7
237.02792	2.2
241.01329	21.5
243.03094	1.9
247.02390	14.8
249.02855	6.6
250.97495	1.5
252.02885	1.9
253.01289	5.1
257.21497	1.4
259.02420	5.9
271.02310	4.1
301.03363	6.1
301.06830	2.4
318.96381	1.1
319.04453	14.0
320.15799	3.4
337.05606	5.6
343.00647	2.0
343.04456	20.3
361.05560	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	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.0
55.01870	12.3
55.05515	66.4
57.03434	42.9
57.07066	18.4
57.53299	8.1
67.05505	99.9
69.07071	46.5
71.04982	24.0
71.53489	10.4
79.05495	83.8
81.03421	13.9
81.07055	80.6
83.02694	8.1
83.04982	46.6
83.08612	24.1
85.06547	12.6
88.19078	9.1
91.05495	67.5
93.07047	89.3
95.04956	31.5
95.08622	73.5
95.09145	12.6
97.06524	19.1
97.10165	33.6
99.08097	10.0
105.07034	79.5
107.08605	100.0
109.06491	11.9
109.10168	45.7
111.08065	13.8
117.07028	26.0
119.08582	65.7
121.10150	49.6
123.08145	11.3
125.09619	42.7
128.06203	10.3
129.06985	19.2
131.08589	37.1
133.10123	33.5
135.08073	16.7
135.11716	14.6
137.09641	12.3
139.11188	18.5
141.96806	7.9
143.08528	16.0
145.10120	33.5
147.08093	9.1
147.11658	30.2
149.09663	22.7
149.13193	10.0
157.10150	14.2
159.11726	17.0
161.09645	8.5
161.13243	19.7
163.11156	11.4
171.11635	10.8
173.11687	12.1
173.13254	19.2
175.37856	8.1
181.10086	11.2
185.13235	13.5
187.14845	12.3
205.15840	11.8
211.10962	9.2
230.24783	13.6
233.15373	13.3
248.74605	9.9
257.18719	11.4
267.16928	15.8
275.19965	45.7
297.18256	10.4
315.81000	9.5
337.22214	17.7
342.17688	11.0
342.37234	23.2
353.61093	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	342.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.3
51.02369	0.7
53.03713	0.3
53.03947	4.1
55.01869	0.3
60.04523	0.3
67.05507	0.3
69.07059	0.1
69.59139	1.0
70.06578	0.6
70.40805	0.1
72.08134	0.2
77.03922	1.0
79.05499	0.2
81.03409	0.7
81.07069	0.3
83.04987	0.2
84.08130	0.3
85.06528	0.2
86.09691	0.4
91.05482	0.2
93.07053	0.2
95.04969	7.1
95.08614	0.2
96.05300	0.3
98.21453	0.3
99.93819	0.2
105.03393	100.0
106.03725	1.7
107.08559	0.2
109.02856	0.3
115.05476	0.1
118.06563	0.2
120.08129	0.3
121.10165	0.1
124.08281	0.1
126.67728	0.1
132.08125	0.3
134.06042	0.6
136.07585	0.2
146.06024	0.2
160.07549	1.0
164.15796	0.2
180.10242	0.2
181.04919	0.4
185.09647	0.3
189.09013	0.2
202.12277	3.3
209.09721	0.2
216.97003	0.1
220.08931	0.2
220.13345	1.4
220.53590	0.1
221.13786	0.3
235.07433	0.2
237.09106	0.5
240.10138	0.2
248.08316	0.3
253.08636	0.5
265.08594	0.4
279.09976	0.2
280.10693	0.2
281.08002	0.3
296.10471	1.0
297.66098	0.2
306.14896	2.7
307.15280	0.2
311.12759	1.7
324.12103	0.2
324.15930	4.6
328.06039	0.2
342.10468	0.2
342.17017	3.4
343.08109	0.8
343.11853	0.2
343.17508	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57789	1.8
53.03946	2.1
55.01864	3.2
57.03445	10.6
57.07078	13.9
59.05012	2.8
60.04526	46.2
67.05490	8.6
67.14510	2.6
69.03418	8.1
69.07065	4.8
70.06593	55.2
71.04994	5.3
71.06910	3.4
71.50841	4.0
72.04515	2.3
72.08160	15.0
73.02926	2.0
74.35345	2.2
77.84221	2.0
79.05500	4.2
81.03412	9.9
81.07046	5.8
82.06577	3.0
83.04967	3.2
84.04488	6.8
84.08154	11.4
85.02916	17.1
85.06553	18.0
86.09697	26.2
86.10491	2.4
91.05475	6.9
91.74418	2.1
93.07047	5.4
95.04978	6.8
95.06079	3.5
95.08624	2.9
97.02882	4.1
98.02402	2.9
99.04511	2.2
101.06045	3.6
103.07582	100.0
105.07066	3.2
107.04929	5.0
107.08609	2.4
109.02872	3.4
109.06507	2.2
110.07147	5.9
112.07594	2.5
112.08712	2.0
113.05991	7.4
116.07116	3.0
120.08111	8.0
121.06496	2.9
121.10159	2.8
127.03930	4.1
127.07543	13.1
129.10249	3.0
131.07019	4.4
133.06522	2.5
133.10138	3.5
136.07561	4.4
138.09201	2.8
145.04955	3.6
145.08607	8.6
145.10089	2.2
147.11688	2.4
149.09535	2.1
151.03880	2.9
153.05608	2.7
153.06981	2.7
162.09135	2.1
163.09665	33.6
163.11115	2.5
175.11176	2.8
180.04782	10.5
180.06444	4.4
181.04964	8.4
183.14935	3.7
203.10693	2.8
208.07967	2.1
283.69257	5.9
306.20801	4.5
324.21619	11.7
342.22787	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.05504	2.8
56.05033	2.5
57.03408	2.1
57.97033	1.5
58.06606	9.0
60.04259	1.9
60.04522	19.4
61.02936	1.9
61.77873	1.3
65.42654	1.5
67.05499	3.2
69.03414	4.0
69.07057	3.4
69.54496	10.8
70.06591	43.2
71.06910	4.5
72.08150	15.5
73.08490	2.2
77.03904	1.8
79.05516	3.3
81.03414	3.8
81.07044	4.0
82.79128	1.2
83.04974	1.8
84.04496	7.9
84.08127	5.9
85.02896	4.8
86.09701	22.5
87.10026	1.9
91.05476	1.8
93.07040	2.9
95.04950	4.6
105.03391	100.0
105.07030	3.5
108.08121	1.6
109.02881	4.8
110.07159	2.9
111.04419	2.0
114.05502	1.4
115.08660	2.1
116.07037	1.7
119.08581	2.0
120.08077	2.2
121.06499	2.1
123.04436	1.5
128.10742	1.4
129.10194	3.2
131.04955	1.9
132.10228	3.9
136.07536	1.9
137.05902	3.0
137.08049	1.4
145.06429	1.5
162.02011	2.0
162.09116	13.6
163.07532	17.5
169.13338	1.7
170.13718	1.9
180.03705	1.5
180.10196	74.9
181.04912	2.4
183.11353	4.0
186.15968	12.5
187.16389	10.9
195.11272	2.0
201.09355	1.5
221.11836	2.6
224.92427	1.5
225.02165	2.0
250.09235	1.5
258.88016	1.7
292.19849	2.2
313.18927	1.4
315.05942	1.7
324.21649	5.9
342.22638	12.9
342.26050	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	342.1334
Annotation	Isocaryachine N-oxide
Peak:m/z	Relative Intensity
66.10044	0.5
70.73238	1.3
70.89361	0.5
74.70621	0.4
84.38271	0.5
103.92503	0.5
125.13843	0.6
162.69421	0.5
170.06027	1.1
184.07568	2.4
188.07074	2.0
198.05426	0.7
202.08601	0.6
212.07077	14.4
213.07372	0.8
214.05040	0.6
215.05804	2.6
216.06580	6.4
226.04988	1.2
230.08145	7.7
240.06541	7.2
241.07393	2.1
243.05266	8.8
244.06056	17.2
244.08499	1.0
245.06364	0.9
254.08160	0.6
255.05312	1.3
256.06058	1.5
258.07632	33.1
259.04941	0.6
259.07895	1.7
260.99466	0.6
262.07104	1.4
266.04489	0.7
268.06076	0.9
270.07687	4.9
271.04779	4.7
272.05557	6.0
278.11566	0.8
280.05997	1.0
282.07767	0.9
282.11105	0.7
284.05518	22.0
285.06085	0.9
286.07101	62.1
287.07413	2.5
294.07587	3.7
295.08426	1.0
296.12906	0.8
298.07108	2.2
306.11279	1.2
308.08984	0.8
309.09973	1.9
310.10806	1.2
312.08591	1.4
324.08755	1.2
324.12357	18.7
324.16199	1.0
327.11057	4.1
342.13358	100.0
343.13681	3.7
358.11279	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1334
Annotation	Eletefine
Peak:m/z	Relative Intensity
69.07053	1.0
70.04760	2.0
75.08884	0.4
80.73863	0.4
81.07040	0.5
91.71243	0.4
95.08584	0.4
96.05247	0.4
97.06541	0.4
99.27789	0.4
106.54086	0.4
114.05493	0.4
118.81575	0.5
128.06218	0.4
133.40570	0.4
134.06003	0.8
135.06335	0.5
137.05951	0.4
150.05518	1.4
199.06348	0.8
200.07062	2.2
210.13632	0.5
214.08644	2.1
215.05902	0.5
224.07033	1.2
226.04941	0.7
227.05753	1.3
228.06561	6.0
240.06627	0.6
242.08116	9.2
243.05342	0.4
244.05995	0.5
246.07654	0.7
248.07057	0.5
250.08723	1.1
251.05676	0.6
252.06505	1.3
254.08185	0.6
255.05301	1.1
256.06027	10.0
257.06781	1.4
258.07520	0.7
263.09482	0.6
265.07379	0.5
266.08139	8.4
268.06052	14.4
269.06741	0.7
270.07599	15.4
276.06567	0.7
280.06555	0.5
280.09692	2.8
281.07211	0.6
281.10400	1.0
282.07751	0.6
284.09238	0.9
291.08911	2.4
292.09583	5.9
294.07587	100.0
295.07828	2.9
306.11209	1.6
308.09085	3.8
309.06671	0.6
309.09930	6.9
310.10458	0.5
324.12283	61.1
325.12555	2.4
327.10922	3.0
342.13339	88.6
342.24289	1.4
343.13864	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03946	1.5
52.85474	1.3
53.03941	2.2
55.01862	2.7
55.05514	12.0
57.03423	2.7
57.07064	6.6
67.05511	16.9
69.03423	6.9
69.07063	8.2
69.45208	2.8
69.45609	10.2
71.04987	3.8
71.08632	9.8
79.05493	15.8
81.03397	2.8
81.06652	2.1
81.07059	22.9
83.04980	3.7
83.08616	3.5
85.06532	4.1
91.05443	12.6
93.07040	25.9
95.01321	5.8
95.04965	10.1
95.08608	15.8
96.05759	2.4
97.02889	16.4
97.06522	6.6
97.10177	1.9
98.20752	2.6
99.04453	1.6
99.08097	9.2
101.05952	1.6
105.07041	9.8
107.04962	3.5
107.08614	8.3
109.06525	8.5
109.10144	5.7
111.04444	18.1
111.08079	2.9
113.05982	4.5
116.06244	1.7
119.08589	9.1
121.06518	15.5
121.10151	12.5
123.04426	4.7
123.08045	4.8
123.11686	2.2
124.05190	2.6
125.06073	3.6
125.09595	1.8
128.06213	2.1
129.07007	2.7
129.96404	1.7
131.08586	17.0
133.06445	2.0
133.10138	5.7
135.08011	3.5
135.11676	2.3
137.05946	3.4
137.09656	2.3
139.11191	3.7
141.06932	1.7
142.07697	1.9
143.08563	4.3
145.10120	5.2
147.08009	1.9
147.11742	2.0
149.09621	14.0
151.11124	2.4
155.08575	2.6
157.10126	5.7
161.09657	3.3
161.13203	3.7
163.11122	3.1
165.01816	11.5
165.12779	8.9
167.10657	4.5
169.10194	2.2
171.11635	4.4
181.12238	100.0
182.12671	2.8
183.02869	9.8
185.13150	2.3
189.12766	3.6
191.08548	2.4
191.14307	3.6
195.11694	1.7
197.13237	2.0
207.13736	2.7
209.13170	2.1
213.12714	2.2
219.11720	2.2
221.13271	2.3
245.84828	1.6
251.14186	1.8
266.16547	2.0
275.93558	1.7
277.12082	2.0
277.21631	2.0
279.13791	2.8
285.07657	11.0
295.16876	3.6
303.01962	1.5
305.21185	8.1
306.21783	2.7
323.16183	2.2
323.22250	1.7
341.12207	4.4
341.17493	2.9
341.21167	3.7
341.24854	8.3
342.13428	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	341.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	48.2
57.07077	73.1
59.77837	5.8
67.05510	29.9
69.07068	100.0
71.08633	48.5
71.52747	8.3
79.05481	11.4
80.89801	6.6
81.07053	55.9
83.08622	85.6
85.06529	22.6
85.10219	29.2
90.69507	6.3
93.07039	24.2
95.08611	56.1
97.06513	9.0
97.10149	48.5
105.07030	17.4
107.08617	17.6
109.06484	6.4
109.10148	37.4
111.08052	7.9
111.11717	35.6
115.07569	8.1
119.08588	20.5
121.10132	15.1
123.08102	5.8
123.11719	19.1
125.13200	10.2
133.10132	11.6
135.11720	17.0
137.09605	13.9
137.13206	11.8
139.11160	8.5
145.36139	7.5
147.11684	16.1
149.13200	10.2
151.11224	9.4
161.13254	21.0
165.12801	11.7
179.14262	12.3
185.13182	6.8
203.17883	9.6
205.05009	7.8
207.11603	7.5
223.64694	6.3
242.13063	7.2
269.36121	6.2
286.65186	6.0
287.27225	9.4
295.82300	6.0
305.28302	12.6
341.30798	37.5
342.37357	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	341.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.0
55.01877	16.4
55.05517	32.5
57.03429	7.2
57.07076	3.5
61.31558	2.9
67.05508	59.6
68.99796	4.4
69.03086	4.2
69.03435	59.8
69.07080	23.5
69.27555	23.8
71.01349	4.6
71.04984	18.4
73.02894	3.4
79.05068	4.5
79.05498	49.4
81.03423	80.3
81.07061	100.0
81.07534	6.4
82.07420	2.8
83.04990	35.8
83.08622	17.1
85.02911	18.7
85.06553	8.1
87.04497	3.7
91.05480	51.1
93.07050	59.0
95.01314	6.4
95.04967	22.6
95.08611	74.7
97.02905	28.6
97.06538	30.6
97.10158	6.2
98.20839	6.9
99.04469	12.9
99.08108	6.6
103.03951	3.8
103.05463	6.3
103.64749	2.8
105.07036	49.2
107.04945	14.1
107.08601	31.0
109.02888	16.7
109.06511	21.7
109.10155	22.8
111.04441	6.5
111.08094	21.2
115.03948	6.9
115.05497	3.8
117.07033	17.1
119.08601	41.7
121.06524	20.6
121.10148	17.1
122.03638	3.2
123.04430	4.9
123.08065	15.4
123.11715	4.2
125.05984	5.8
125.09637	6.0
127.03924	27.8
127.07497	3.0
128.06239	6.2
129.07007	14.6
131.04951	4.8
131.08615	21.1
131.11853	2.3
133.06497	14.4
133.10132	24.4
135.04437	4.6
135.08066	19.2
135.11699	13.5
137.05988	29.9
137.09622	4.6
139.07510	4.3
140.60030	2.7
141.01859	6.1
141.06956	3.8
142.07816	2.9
143.08585	11.8
144.04419	3.0
145.04913	2.6
145.10121	15.2
147.04349	5.8
147.08054	12.6
147.11711	13.8
149.05984	8.0
149.09657	7.1
149.13261	7.9
151.07542	36.9
153.09053	5.6
155.08565	7.1
157.10146	8.1
159.08061	10.9
159.11711	12.4
161.05980	8.1
161.09663	7.9
161.13271	29.5
162.06779	2.7
163.07582	4.7
163.11221	2.6
165.01855	50.0
165.07001	2.9
165.12849	3.8
167.07076	9.4
167.08490	3.1
169.10194	3.2
171.11681	7.3
172.03934	5.4
173.09598	6.1
173.11760	11.1
173.13210	6.1
175.07571	10.4
175.11205	5.8
177.09119	3.3
177.12776	10.9
179.03410	4.5
179.14282	14.7
183.02884	41.1
185.13251	5.7
187.07553	11.2
187.11221	4.0
189.09167	4.4
189.12784	5.0
191.03334	4.4
191.14301	4.5
195.13847	4.4
199.14854	3.3
201.12779	5.1
203.14235	4.0
204.06627	8.7
206.04546	2.7
207.13811	12.1
209.15302	13.0
214.44627	2.8
219.08200	4.0
219.13818	10.8
220.08890	3.2
221.04446	7.7
221.07983	2.9
221.15422	7.4
223.17038	2.8
225.14781	15.8
227.14313	3.3
231.07965	2.9
231.13998	2.6
233.15373	5.5
235.17287	2.7
237.14798	26.0
245.15388	4.4
249.09151	3.2
249.14886	3.3
251.10782	3.9
251.16586	13.2
257.15378	2.6
259.17035	7.2
260.64926	2.6
263.16464	14.5
269.15262	3.4
275.16476	5.2
277.08878	3.6
277.17984	9.2
281.11859	4.6
281.17209	2.9
285.07571	24.5
287.16476	19.9
287.22812	2.6
291.10074	3.0
293.17584	9.2
305.17462	53.4
309.11188	8.0
311.08975	3.0
311.12677	2.5
323.12790	4.5
323.18509	73.8
341.10287	3.5
341.13907	36.0
341.19666	28.2
341.24377	3.7
342.14069	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.8
55.01878	7.2
55.05505	12.1
57.03429	3.0
57.07071	6.9
65.03934	4.4
65.32509	2.9
67.05505	32.4
69.03421	10.9
69.07066	13.3
69.55074	9.0
69.55502	12.3
75.07177	2.9
79.05494	15.1
81.03422	84.3
81.07072	16.5
83.04955	3.5
83.08628	6.5
91.05476	24.1
93.07050	27.0
95.01336	68.3
95.04979	80.9
95.08607	11.4
103.05476	8.0
105.07038	48.5
107.04985	4.6
107.08617	21.2
109.02874	5.2
109.06532	7.6
109.10150	10.6
115.05465	4.4
117.07067	14.7
119.08591	39.7
121.02875	9.5
121.06503	27.4
121.10138	12.7
123.04443	4.6
123.08115	4.5
123.11716	8.4
128.06204	14.6
129.07034	22.8
131.04965	18.6
131.08577	27.7
133.06506	9.2
133.10144	40.6
135.11681	23.1
141.07008	13.0
142.07813	17.1
143.08574	44.2
145.06482	11.4
145.10152	25.8
147.04517	3.7
147.08049	11.2
147.11713	39.6
148.11896	3.2
149.02477	3.6
149.06029	6.4
153.06958	4.7
155.08568	26.9
155.61879	3.0
156.09325	10.9
157.06509	10.6
157.10130	47.4
158.10902	5.6
159.04398	11.3
159.08070	9.2
159.11688	18.4
161.05984	7.0
161.09636	9.4
161.13240	5.5
164.02179	4.6
165.07018	9.5
166.07864	6.7
167.08611	15.7
168.09377	4.0
169.01393	9.5
169.06537	4.4
169.10211	17.1
170.10884	4.0
171.08076	9.2
171.11699	23.7
172.12444	4.7
173.09700	8.0
173.13263	10.1
175.03902	9.6
175.11234	9.2
175.14825	5.2
177.05505	8.0
178.07849	5.5
179.08577	10.7
180.09317	9.8
181.06453	4.7
181.10114	17.2
182.02080	3.4
183.08095	10.8
183.11746	14.0
185.09642	9.5
185.13280	21.3
187.03900	4.4
187.14859	11.5
189.05429	5.2
189.09148	5.0
189.12785	5.9
189.16428	3.1
191.02829	3.8
191.08595	4.8
192.09389	10.8
193.10139	13.5
194.10919	6.1
195.08047	7.8
195.11656	16.2
197.09654	11.1
197.13306	13.7
199.07532	3.3
199.11198	12.1
199.14778	17.9
201.16399	5.4
203.08731	4.1
203.10677	3.8
203.14439	5.3
205.04967	40.4
205.10193	7.1
206.10942	3.3
207.08148	3.6
207.11711	13.6
208.08769	4.0
209.09648	10.9
209.13283	12.6
211.11272	7.7
213.12778	8.6
215.14299	22.9
217.15865	20.6
218.10838	3.7
219.08011	4.1
221.09587	4.4
221.13254	4.6
222.10303	5.0
223.11192	32.7
223.14700	3.5
224.11966	7.6
225.12816	15.5
227.14336	7.9
235.11185	14.3
236.11969	5.8
237.12801	10.0
237.16476	5.2
238.13533	3.2
239.10619	5.8
239.18013	4.2
241.12262	6.3
245.15352	23.7
249.12865	4.8
251.14296	28.5
253.08536	3.7
253.12215	6.2
253.15921	11.0
255.14008	3.5
256.02936	5.6
259.13406	4.6
260.14050	5.9
263.10822	6.7
263.14334	10.3
265.03366	6.1
265.15976	16.7
266.16660	68.3
267.17398	26.1
268.18179	3.8
269.19086	13.2
273.14841	10.4
277.15982	12.7
279.17395	4.3
280.25494	3.6
281.11758	6.1
281.15494	5.2
283.07050	3.4
295.16925	43.3
297.18668	5.9
305.15381	13.3
313.17932	5.0
323.16449	26.8
341.17508	100.0
342.17892	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	341.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91283	1.6
56.96567	14.1
57.03444	2.7
58.06597	10.2
68.84902	1.8
69.03420	8.2
69.35219	13.6
70.06593	16.7
72.08162	4.0
73.02924	2.9
81.03425	2.9
84.08144	17.8
85.02921	15.1
87.04447	2.1
97.02902	8.9
97.99198	3.1
98.21520	3.4
98.97595	14.3
100.11253	3.6
102.96889	3.3
104.10715	2.1
110.07148	2.0
110.97571	2.0
112.99120	4.6
116.07078	6.0
116.98573	7.6
119.01932	3.0
127.03905	4.0
128.98555	2.5
131.00139	6.4
134.99559	1.9
142.01764	1.9
144.10204	52.6
146.99602	3.8
149.01172	2.0
152.05666	1.9
158.99742	2.5
168.00758	4.5
169.04362	6.1
169.54549	4.6
172.02837	2.9
174.04391	2.5
177.00644	2.5
178.04918	11.5
178.55119	5.1
179.08185	2.1
181.09711	2.2
183.06252	2.4
184.08203	7.5
186.01778	4.2
188.02290	2.0
189.55783	1.7
190.03935	2.3
191.02351	2.3
191.05629	1.8
198.40935	1.8
202.07436	4.1
202.09253	55.9
204.05478	1.8
204.09085	6.0
208.04938	2.9
210.01773	4.4
212.41283	2.2
213.12407	3.2
218.06992	3.6
219.01964	2.9
222.36632	1.8
226.09256	60.9
228.02907	5.2
230.08801	4.1
237.02701	2.1
242.06967	2.0
244.10316	100.0
245.10492	3.8
250.57207	7.9
251.06909	1.9
253.13831	3.4
259.57751	9.0
260.07953	5.2
267.11905	5.0
271.09592	4.0
281.13409	13.4
299.06625	2.2
299.14542	49.0
300.14905	2.5
322.15948	3.6
340.60239	2.2
341.10687	5.9
341.14005	2.7
342.11792	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63797	1.8
53.03936	6.2
54.72000	1.9
55.01858	5.9
55.05501	8.1
57.07074	5.4
60.35074	1.6
65.03941	3.7
67.05508	23.5
69.03442	9.1
69.07069	11.5
69.59174	12.0
77.61298	1.5
79.05492	14.2
81.03423	82.4
81.07035	10.9
83.04968	3.4
83.08630	3.5
91.05487	30.4
93.03381	3.1
93.07043	27.6
95.01331	63.7
95.04976	68.0
95.08593	8.8
97.02882	3.2
98.21507	2.9
100.09331	1.9
103.05464	7.7
105.07038	37.5
107.04947	7.0
107.08595	21.8
109.02863	5.7
109.06519	9.0
109.10162	11.3
111.04473	1.9
115.05450	4.5
117.07014	13.0
119.04914	4.3
119.08586	31.2
121.02872	4.8
121.06528	17.3
121.10154	11.3
123.04422	3.6
123.08121	2.2
123.11697	5.2
128.06215	12.1
129.05489	1.9
129.07021	16.8
130.07768	3.2
131.04948	17.4
131.08571	21.4
133.06496	7.7
133.10141	29.1
135.08041	4.0
135.11690	27.6
141.06975	11.3
142.07793	16.3
143.08574	35.6
144.09346	3.0
145.02861	3.4
145.06502	6.2
145.10144	22.8
147.04419	5.0
147.08063	13.6
147.11691	30.6
149.05966	5.2
153.07025	6.3
154.07814	4.4
155.08566	27.7
156.09370	7.9
157.06535	9.3
157.10139	41.1
158.07266	2.0
158.10829	2.8
159.04453	10.0
159.08038	7.6
159.11725	17.0
161.06000	9.0
161.09656	9.0
161.13313	4.1
165.06969	13.1
166.07768	5.8
167.08553	16.1
168.09322	4.6
169.10138	19.9
170.10892	7.4
171.08066	12.8
171.11714	18.3
172.08876	2.3
172.12347	1.9
173.05949	2.3
173.09634	7.6
173.13298	8.2
175.03938	8.2
175.07588	2.9
175.11195	6.1
175.14891	3.1
177.05460	5.3
178.07832	3.2
179.08571	13.0
180.09296	9.4
181.06519	8.3
181.10170	17.9
181.11859	2.7
182.07207	2.6
182.10907	4.8
183.08110	9.7
183.11714	13.5
184.12483	4.2
185.06020	2.2
185.09613	11.3
185.13252	16.3
187.03976	2.4
187.07443	3.6
187.11200	2.0
187.14835	11.1
189.05423	2.2
189.09129	5.0
189.12750	6.3
189.16399	2.3
191.03436	4.9
191.08574	4.5
192.09369	8.7
193.10143	20.1
194.10843	5.8
195.08051	9.3
195.11694	21.0
196.08881	5.2
196.12463	2.6
197.09581	7.2
197.13248	11.2
199.07529	2.4
199.11186	12.1
199.14816	15.2
200.11879	2.2
201.08992	2.8
201.12820	3.1
201.16385	5.4
203.10669	3.7
203.14275	3.8
205.04977	41.0
205.10204	6.9
206.10899	3.4
207.08078	4.2
207.11722	16.9
208.08873	3.7
209.09669	10.1
209.13197	11.2
210.10434	4.1
210.13815	2.7
211.11198	8.0
211.14862	4.3
213.09096	5.5
213.12810	6.7
215.14305	24.2
217.10233	4.9
217.12445	2.1
217.15903	17.2
218.10837	2.4
219.08150	3.5
219.11684	6.4
220.08931	5.0
220.12383	2.3
221.09647	6.8
221.13278	3.1
222.10406	5.1
223.11208	33.6
223.14812	5.3
224.11989	10.8
225.09164	3.4
225.12741	13.4
225.16309	4.2
227.10707	4.1
227.14381	8.5
229.15906	4.5
231.13866	2.3
233.09680	3.9
233.15384	3.6
234.10304	2.4
234.14149	2.2
235.11157	23.7
236.11841	6.3
237.09174	3.4
237.12775	10.9
238.13469	3.9
239.10754	5.4
239.14313	4.1
239.18034	4.8
241.12198	4.3
245.15323	19.7
248.08452	3.0
249.12688	3.1
249.16411	6.7
251.14339	24.2
252.11511	2.6
252.15062	2.5
253.12241	6.3
253.15952	5.3
255.10220	1.9
255.13925	6.0
256.14700	2.3
259.13376	7.3
260.14178	3.6
262.13556	2.9
263.10696	7.2
263.14362	5.1
265.15878	16.7
266.16663	67.4
267.09909	2.4
267.17508	23.5
268.18033	5.1
269.09659	3.0
269.19012	4.7
273.14932	7.1
277.15771	10.1
278.16730	4.1
279.14474	2.0
279.17514	8.2
281.11813	11.2
281.15381	6.0
285.18616	2.3
295.16940	42.4
295.20081	3.6
297.18561	6.3
298.09760	2.9
299.12643	2.2
305.15366	8.7
313.12384	3.8
313.17953	8.4
323.16388	33.6
341.11774	10.6
341.17499	100.0
342.17874	6.6
364.56201	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	341.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.01861	3.2
55.05509	3.6
57.03416	2.1
57.07065	2.0
59.47304	1.2
65.03932	1.9
67.05508	9.1
69.03429	5.7
69.07066	6.5
70.06582	4.3
71.04984	3.0
71.53290	2.7
72.08134	2.6
78.04713	2.0
79.05492	20.4
81.03424	9.0
81.07050	15.8
83.04978	3.1
83.08607	2.9
84.08144	1.6
85.02882	3.7
85.06535	3.2
86.09693	4.7
91.05444	13.2
93.07041	9.5
94.04195	1.3
95.04987	10.6
95.08593	11.6
97.02904	2.5
97.06520	4.0
99.04461	3.6
99.08060	1.5
103.05460	5.5
105.03366	6.6
105.07031	25.7
107.04955	35.7
107.08584	7.5
109.02866	7.8
109.06542	4.0
109.10152	7.6
111.04426	1.6
111.08076	3.0
115.05453	6.2
116.06247	4.9
117.07027	3.0
119.04935	2.5
119.08595	7.0
121.02834	3.4
121.06517	4.1
121.10161	5.9
122.03645	2.4
123.04424	7.7
123.11708	2.0
124.05236	4.1
125.06008	4.1
127.03920	3.7
128.06198	11.8
128.07005	1.4
129.07005	59.7
131.04933	7.9
131.08575	7.3
133.02936	1.5
133.06509	13.4
133.10127	5.6
135.04388	3.1
135.11723	4.6
137.05013	2.2
137.05981	25.4
137.13226	2.4
139.11205	1.7
140.04707	1.3
141.06995	2.7
143.04921	1.5
143.08548	2.5
144.05684	13.1
145.06538	7.7
145.07530	1.4
145.10109	2.3
147.04424	4.7
147.07980	1.6
147.11632	2.4
148.49352	1.2
149.05945	2.0
149.09700	1.6
151.03920	2.7
151.07536	3.3
151.11194	1.4
152.04698	3.8
152.06136	2.0
153.05475	7.7
155.04942	11.6
155.07040	1.9
155.08461	1.6
156.05664	4.7
157.06497	3.0
159.08054	30.2
159.11697	1.6
160.05205	1.4
161.05986	36.4
161.09622	4.8
163.07643	1.9
165.05647	2.3
165.07050	5.0
167.07037	71.6
169.06523	3.1
171.04373	1.9
172.05237	4.1
173.05957	3.3
175.07570	5.4
177.05556	7.6
177.06941	2.1
178.07756	15.4
179.07043	12.9
179.08601	4.1
181.06406	2.3
185.13269	1.6
186.06802	1.6
186.74503	1.7
187.07544	100.0
189.07079	6.4
189.09026	7.1
190.07782	6.6
191.07037	2.4
191.08508	9.5
192.09358	3.1
193.10175	7.0
195.08081	4.7
201.09178	2.7
202.07751	12.0
203.08565	12.4
205.06512	11.0
206.07259	23.9
207.08069	7.4
210.06825	1.7
217.06551	7.5
217.08536	2.1
218.07245	8.3
219.08034	15.2
220.08781	9.9
221.06096	2.4
221.09616	30.9
222.06764	1.8
222.10249	1.5
223.07597	9.6
224.08490	1.6
231.08008	12.2
232.08636	1.9
233.05983	6.1
234.06750	30.1
235.07526	13.7
236.08315	2.6
237.09103	6.7
238.09860	3.3
245.05992	2.9
246.06613	1.5
247.07495	7.6
248.08318	10.3
249.05310	1.9
249.09117	42.0
250.06328	2.6
250.09888	6.1
251.07062	18.0
252.07732	2.2
252.55167	1.3
253.08702	2.2
253.12454	2.6
259.07629	3.1
262.06299	5.1
263.07013	5.6
263.10736	4.9
264.07843	2.9
265.08636	9.4
266.09351	14.1
267.10141	3.5
268.07376	1.9
269.08212	1.7
276.07748	2.4
277.08575	26.7
278.09293	4.3
279.06540	8.0
279.09839	2.3
280.07190	2.0
280.10980	2.9
281.11713	83.6
282.11996	1.7
283.09671	3.6
291.10147	8.2
293.08221	4.0
294.08878	15.5
295.09589	7.3
297.11417	1.4
299.05701	1.3
305.24908	2.1
308.10257	2.6
309.11206	87.1
310.11893	11.9
311.09116	9.4
312.09705	1.6
323.12921	4.9
326.11459	8.2
341.06750	3.0
341.10703	3.0
341.13858	81.3
342.10297	2.7
342.14230	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	341.138
Annotation	Moracin T
Peak:m/z	Relative Intensity
53.03937	0.4
55.01873	4.0
59.04986	0.8
68.99776	2.1
69.03410	0.9
69.07056	0.3
71.53400	0.5
73.98396	0.3
75.66798	0.3
79.01846	1.5
81.03427	1.5
81.07058	0.3
91.05466	0.6
92.99757	1.3
95.01302	0.6
97.02877	1.4
99.00797	1.4
107.04955	6.3
109.02846	0.5
110.47056	0.3
119.04919	1.1
119.08632	0.4
119.69748	0.3
121.06491	2.9
123.00793	1.3
137.02321	3.0
141.01825	7.8
147.04420	4.6
157.06490	0.5
163.03947	0.4
165.01834	100.0
166.02182	1.3
169.06415	0.6
179.03384	2.4
183.02892	61.8
184.03249	0.6
191.03419	3.2
197.05937	0.6
198.48045	0.3
213.05396	0.3
221.08054	3.0
225.87291	0.3
243.06464	0.7
267.06525	0.6
285.07578	46.5
286.07764	1.3
323.12891	0.5
341.13840	35.7
342.14172	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1231
Annotation	Macrosphelide B
Peak:m/z	Relative Intensity
50.99839	1.0
53.03943	1.1
54.73740	1.2
55.01869	2.0
55.05508	1.3
56.05006	1.7
57.03408	3.1
57.07062	2.4
61.02925	6.3
65.03934	1.7
67.05476	2.1
68.63741	1.1
69.03418	3.1
69.07033	1.5
69.62251	0.9
70.06593	7.1
70.51299	3.2
71.08603	1.4
72.08147	3.2
73.02905	2.2
73.04742	1.8
79.05489	2.1
81.03412	3.2
81.07044	2.3
83.04956	1.5
83.06084	1.2
84.04476	1.8
84.08144	6.7
85.02893	3.5
85.06502	1.3
86.09698	1.5
91.05768	6.4
93.07019	1.7
95.04939	2.8
95.08586	1.0
97.02875	2.2
98.21454	1.3
102.05566	1.7
103.03949	1.3
103.05453	3.9
105.03394	4.7
105.07024	4.5
107.04929	3.2
109.02899	1.7
109.06499	1.5
110.07128	3.9
111.05565	1.7
115.05460	2.1
116.07080	1.1
117.06976	3.1
119.04980	5.2
121.06479	2.2
123.04424	2.5
129.10211	2.0
131.04895	4.4
133.02834	1.2
133.06483	5.8
134.05891	1.1
135.04395	1.6
136.07561	3.2
137.05927	2.5
145.06450	4.2
146.03581	1.6
147.04405	4.7
147.08032	2.1
149.05988	5.9
151.03894	1.5
153.05431	2.7
157.06482	1.6
159.04411	2.1
160.05112	2.0
161.05980	9.8
162.03049	1.0
162.09177	2.2
163.03854	2.1
166.06381	1.0
167.07011	9.9
168.06747	1.3
169.06456	1.2
171.08075	1.0
172.05153	2.5
173.05977	3.2
174.03165	2.0
174.06688	1.3
175.03923	1.9
175.07547	2.2
175.11942	1.1
176.04774	1.3
177.05457	4.8
178.06253	3.0
179.03400	4.7
179.06990	5.3
179.08328	1.8
181.04945	3.3
183.06462	2.7
185.05998	1.6
187.07605	1.6
189.05470	4.3
190.06281	1.6
191.06999	4.0
192.04126	3.9
192.07857	2.9
193.04973	1.5
193.08600	3.2
201.05469	1.6
203.08226	1.8
206.05754	8.6
207.06523	42.8
209.04436	1.7
209.07953	1.6
217.08600	1.7
218.05568	1.5
219.06596	3.4
221.08075	9.3
230.05757	1.1
231.06612	1.3
233.08047	11.4
235.09676	1.9
237.07582	1.3
244.07343	1.6
245.08080	2.5
251.09081	5.2
259.09732	2.5
263.09192	3.2
275.09094	1.4
281.10367	1.8
287.09189	1.7
302.84937	1.1
305.10263	2.9
323.11407	4.7
340.51422	1.1
341.12305	100.0
341.30609	1.4
342.12451	2.5
342.99707	1.6
359.02814	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	340.9877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29899	0.4
50.67280	0.4
54.62197	0.5
54.98652	0.5
56.96562	9.8
59.02503	0.4
62.52809	0.5
65.16364	0.4
67.02111	0.4
69.51108	0.7
69.51505	2.9
71.95279	1.2
91.05801	1.0
98.97578	48.2
105.34731	0.4
111.03016	0.4
114.95632	0.6
116.00222	0.7
116.98614	43.1
119.01984	0.4
132.96628	1.6
134.01241	0.6
134.99654	24.1
138.95470	0.5
140.00221	1.2
150.97690	0.5
153.00703	3.8
156.96576	0.8
158.01253	1.6
174.97649	11.4
174.99155	0.7
177.00996	2.1
179.00751	0.5
190.95616	1.6
192.98714	14.4
198.97525	2.9
201.00699	0.4
208.96695	2.0
214.95628	2.4
216.98701	30.2
217.98793	1.2
218.03545	0.5
219.01981	5.2
220.02097	0.9
221.01730	0.8
222.84952	0.4
232.96687	13.8
233.96764	0.9
234.99745	64.9
235.99927	2.5
236.99907	0.8
240.00237	1.2
240.98824	0.6
250.97758	13.5
251.97887	0.9
253.00873	2.4
256.96677	10.7
258.01181	4.2
258.99768	12.3
259.99915	1.4
260.04715	0.9
260.99838	0.9
261.03036	1.7
262.03116	0.7
263.02847	1.1
274.97720	40.3
275.97867	3.0
277.00806	18.6
278.00925	1.4
279.00903	0.6
280.96561	2.4
281.02707	0.5
281.96957	0.5
282.01331	0.7
282.99875	0.9
284.00180	0.5
287.99158	0.5
289.96597	0.7
292.98737	9.4
293.98959	0.8
295.33203	0.5
297.99298	1.7
298.97717	53.6
299.03473	1.5
299.05701	1.8
299.97870	4.1
300.02322	1.6
301.00995	1.7
302.01178	1.7
303.00604	0.8
307.97385	0.8
316.98785	100.0
317.98914	7.8
334.99869	3.2
340.00372	9.2
340.98715	15.4
341.98950	1.8
358.99808	43.6
359.99826	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	340.2846
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
53.03939	1.6
55.05516	15.4
56.05035	1.7
57.03426	1.3
57.07075	5.6
60.04230	1.6
60.04527	28.4
67.05513	14.3
69.06730	1.8
69.07072	25.1
70.70345	2.2
70.70679	1.5
71.04996	1.6
71.08613	2.6
71.88521	1.2
76.45058	1.2
79.05479	3.8
81.07057	18.2
83.05012	1.6
83.08616	15.7
85.10181	1.5
85.81022	1.1
87.04456	1.0
90.05630	1.3
91.05473	3.2
93.07034	4.7
95.08616	16.6
95.68385	1.0
97.06514	2.2
97.10184	11.9
100.11240	1.9
105.07014	5.4
107.08581	5.2
109.06518	1.4
109.10169	8.6
111.08067	1.7
111.11709	4.2
119.08595	6.4
121.10178	2.8
123.11743	2.9
128.14310	1.7
133.10136	4.9
135.11649	2.3
136.03912	1.3
137.09578	2.8
137.13293	1.5
142.15923	12.6
147.11687	2.8
154.12198	5.8
161.13243	3.1
163.14864	2.5
168.17354	1.5
172.13341	3.1
184.16931	1.4
199.56470	1.1
203.03407	1.8
204.03743	1.9
227.17683	1.4
245.22714	1.7
263.23700	4.7
280.26291	11.6
298.27405	11.6
322.27399	4.2
340.28470	100.0
341.28671	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	340.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01881	2.1
55.05514	9.9
55.08126	0.6
57.03448	1.2
57.07079	4.0
62.06091	100.0
65.03949	0.8
67.05505	15.1
67.05841	1.3
69.03448	1.2
69.07065	12.2
70.06592	1.2
70.07433	0.9
70.57813	1.1
70.58160	1.4
71.04984	1.0
71.08627	1.6
79.05493	10.1
81.03437	1.7
81.07056	13.3
82.07446	0.8
83.04974	1.7
83.08609	3.9
88.07635	1.3
91.05506	2.9
93.07044	6.4
95.01357	0.9
95.04956	2.3
95.08601	9.9
97.06532	2.0
97.10184	3.1
98.06094	1.2
99.08141	0.9
102.09170	0.8
105.07051	2.3
107.08595	7.3
109.10153	6.9
111.08142	1.1
112.94844	0.8
117.07024	1.0
119.08627	1.4
121.10147	2.3
123.11732	1.6
124.11234	4.0
125.09640	1.1
131.08578	1.2
133.10150	2.8
135.11705	3.2
137.13271	0.8
145.10164	1.7
147.11641	0.8
149.02361	3.9
150.02654	1.3
153.12791	1.6
159.11703	0.9
161.13338	1.2
163.14914	1.0
168.13927	1.1
170.11819	1.8
173.13188	0.9
191.03406	1.0
193.04979	5.7
194.05333	2.3
196.13329	12.0
214.14398	11.1
219.06488	0.9
220.06860	2.8
224.65660	1.0
225.15831	2.9
243.21237	0.7
251.23853	0.9
256.26382	1.6
257.26724	1.4
261.22177	2.4
279.23303	3.7
310.07013	4.1
322.10651	2.1
322.27414	37.9
323.16208	1.1
323.25565	5.8
325.09076	0.8
335.20590	0.8
339.77826	15.8
340.11810	13.8
340.28421	31.1
340.78482	1.0
341.11996	1.5
341.17505	1.2
341.28635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54377	2.0
52.96576	1.8
53.03938	3.6
53.47338	1.8
53.76903	1.6
55.01868	9.2
55.05482	1.9
56.05026	1.8
57.03419	6.7
57.96278	2.1
60.04509	2.4
61.02913	3.9
67.05495	2.1
69.03086	3.1
69.03436	39.2
70.06599	9.6
70.34312	7.2
71.04985	4.5
72.08155	4.5
73.02901	6.1
77.70412	2.1
79.05501	2.5
80.94132	1.8
81.02988	2.3
81.03417	24.0
81.07053	2.3
83.26064	1.9
84.04486	6.4
84.08147	4.6
85.02907	100.0
86.09699	4.1
87.00831	47.0
91.05452	2.6
95.04953	2.9
95.06084	3.2
97.02906	29.2
99.04446	11.5
105.01871	69.6
105.07046	2.8
109.02878	26.8
110.05962	2.2
110.07155	3.5
111.04414	2.4
120.08131	10.0
122.06041	2.7
127.03923	65.2
129.01823	4.6
133.02846	2.7
136.07590	2.5
137.05966	3.8
139.03891	2.9
145.04973	26.0
147.02795	2.6
147.04376	8.2
148.04732	6.9
159.02875	6.7
166.08672	4.1
178.04909	3.5
191.93549	2.1
213.03975	2.1
219.02899	3.2
220.03209	6.4
231.04955	18.6
249.06065	6.3
262.04346	2.3
290.72595	2.2
295.86594	2.1
304.11807	2.3
340.21997	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	340.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.01876	4.7
55.05502	2.4
57.03430	6.7
60.04520	4.0
61.02916	7.3
68.99773	3.7
69.03432	37.1
70.06592	6.3
71.01366	2.3
71.04979	5.5
71.06313	2.1
71.31580	2.2
71.31901	3.0
72.08148	2.9
73.02914	4.2
73.05251	2.4
81.03410	28.8
81.65448	1.9
83.04957	2.3
85.02905	100.0
86.03235	2.0
86.09703	3.3
87.00828	46.4
91.05488	3.2
94.87502	2.0
97.02892	30.1
99.04451	12.0
100.46743	2.0
105.01862	72.8
109.02882	26.4
119.04929	3.2
127.03912	79.7
128.04160	2.3
129.10219	2.2
137.05975	4.0
145.04965	34.0
146.03180	2.4
159.02898	12.9
177.05417	2.7
178.04854	2.9
178.92659	2.3
180.74991	2.3
189.03932	5.7
190.25710	2.1
193.04980	2.2
207.06519	3.1
213.03900	2.9
231.04985	16.5
249.06065	4.7
304.11877	2.1
322.12634	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	340.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23284	0.2
53.03934	0.3
55.01867	0.2
55.05492	0.2
65.03918	0.3
66.87997	0.2
67.05479	0.4
69.03426	0.3
69.07053	0.3
69.97395	0.9
70.06588	0.5
72.08155	0.2
77.03919	0.3
79.05492	2.5
81.03404	0.3
81.07044	0.4
91.05483	5.0
95.04951	0.8
105.03400	0.6
105.07074	0.2
106.06553	9.0
107.04930	0.3
109.06518	0.9
110.07162	0.2
116.04974	4.2
119.06113	0.3
119.08572	0.3
120.08077	0.2
121.10162	0.2
130.06531	2.6
132.04419	0.5
133.06444	0.2
134.06010	100.0
135.06311	0.9
136.07571	0.2
137.05989	0.4
148.07576	5.2
157.07558	0.2
158.06024	1.2
160.84416	0.2
162.05502	0.3
165.01701	0.2
165.10240	11.1
176.07033	1.1
177.05469	0.3
207.11275	1.2
212.07124	0.3
220.03264	0.2
226.08627	0.9
240.06589	0.3
242.08125	0.3
252.06458	0.2
254.08130	2.7
256.06033	0.3
264.06805	0.2
266.08276	0.3
269.12918	0.3
270.07681	0.3
278.08151	0.9
280.09689	0.2
282.07678	0.5
284.05756	0.5
294.11346	0.7
296.09399	0.3
310.06918	0.2
310.10620	0.3
312.13501	0.2
312.17117	0.6
322.10815	0.6
340.11877	12.1
340.16055	2.1
340.22632	0.4
341.12650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1544
Annotation	Glycocitrine-I
Peak:m/z	Relative Intensity
51.57190	0.2
57.07072	0.4
67.05480	0.2
69.07061	0.5
69.24513	2.0
70.06592	0.2
81.07075	0.5
90.17605	0.2
93.05888	0.2
95.08586	0.2
103.93020	0.2
136.04036	0.2
144.63364	0.2
193.05009	0.6
196.07591	0.3
200.07204	0.4
211.06377	0.2
212.06979	1.0
213.07826	1.8
214.05060	0.4
214.08696	0.2
219.47989	0.2
222.05540	0.5
223.06248	0.3
224.07088	0.5
224.65538	0.3
225.15982	0.3
226.05057	1.0
226.08636	0.5
227.05731	0.4
228.06525	3.4
239.05702	0.5
240.06537	2.9
241.07365	5.0
241.09694	0.4
242.08070	1.0
243.05276	0.5
244.06100	0.8
250.04953	0.3
252.06601	0.8
254.08142	1.4
255.05255	0.3
256.06055	22.2
256.09460	0.7
257.06631	0.7
264.10239	0.5
266.08197	0.6
267.05331	3.1
268.03525	0.1
268.06088	5.0
268.09692	1.1
269.06708	1.3
270.07623	9.8
271.07974	0.2
272.09198	0.4
273.06342	0.5
277.07504	0.2
278.08081	0.8
279.08936	0.6
280.06192	0.7
280.09717	3.7
281.06940	0.4
282.07623	27.4
283.08151	1.5
284.09183	16.2
285.09622	0.3
286.10703	0.5
292.09641	4.1
293.10052	0.2
294.07590	1.0
294.11191	6.1
295.08414	2.4
295.11444	0.4
296.09180	0.8
308.12820	2.1
309.06235	0.3
310.10733	25.5
311.11072	1.0
324.12350	0.8
325.12976	0.9
339.77902	1.7
340.15439	100.0
341.15775	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	340.1179
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
57.33557	0.2
59.04980	0.3
67.08295	0.2
69.07054	0.2
69.79032	1.1
74.62791	0.2
77.83310	0.2
79.05476	0.3
79.05939	0.2
80.44535	0.2
81.03356	0.2
81.07038	0.2
89.98566	0.2
94.26822	0.2
98.20789	0.4
131.81924	0.2
134.05977	0.4
148.61908	0.2
226.08669	0.3
239.05904	0.2
240.06540	0.6
254.08156	0.7
267.05292	0.6
268.06049	6.4
269.06421	0.3
282.07629	2.3
293.07269	0.2
307.08331	0.2
308.09186	3.1
309.09680	0.2
310.07089	57.5
311.07382	2.5
312.12228	0.7
322.10797	0.3
324.08652	0.2
325.09433	9.6
326.09650	0.5
340.11792	100.0
341.12106	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	340.1179
Annotation	Cerasodine
Peak:m/z	Relative Intensity
52.62737	0.3
55.32753	0.3
57.03416	0.5
57.07040	0.4
59.86909	0.4
65.05699	0.4
69.07062	0.5
69.73100	2.4
79.05489	0.5
81.07047	0.9
83.04992	0.7
91.05482	0.8
93.07061	0.6
96.08156	0.4
105.03353	0.6
106.06546	0.6
107.04992	0.5
107.08561	0.5
121.02936	0.4
123.11682	0.4
134.06010	9.0
137.05959	0.5
189.10255	0.6
200.07077	0.9
206.04523	0.7
208.39632	0.4
214.05046	2.2
214.08591	0.8
215.05722	0.5
216.06563	0.4
218.02728	1.9
219.06393	0.7
224.07210	0.6
228.06551	3.5
229.07329	8.2
240.06531	1.2
242.04504	2.4
242.08093	2.4
242.11758	1.2
243.05263	8.3
244.06010	0.4
251.09460	0.6
254.08127	4.0
256.06003	3.4
257.06815	23.0
258.07599	13.6
259.08038	0.5
265.07611	0.5
266.08392	0.6
267.05142	1.3
268.06042	46.0
269.06494	2.4
270.07623	6.6
270.11307	1.1
278.08313	0.6
279.08817	1.0
280.06586	0.8
280.09598	4.2
282.04663	0.3
282.07593	7.6
283.07932	0.6
284.05573	0.6
294.07571	5.7
294.11044	1.2
296.09219	3.5
297.09940	3.4
298.10751	4.4
307.08331	2.0
308.09589	0.7
310.07251	0.5
312.12360	4.2
322.10706	3.5
325.09479	1.1
340.11792	100.0
341.12393	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	340.1025
Annotation	6-GlcO-I3CO2H
Peak:m/z	Relative Intensity
53.03922	0.5
55.01862	0.6
56.97514	0.3
57.03430	0.8
57.83792	0.3
61.02903	0.9
69.03429	2.5
70.06587	1.6
72.08148	0.6
73.02883	0.5
81.03416	1.6
85.02903	6.4
86.09673	0.9
91.05464	0.8
95.04974	0.3
97.02877	2.5
99.04454	0.4
101.02357	0.7
104.04999	0.4
105.03391	0.4
109.02856	1.1
110.07172	0.4
119.03422	1.8
119.08540	0.3
120.08119	0.4
122.05960	0.3
127.03925	1.3
132.04454	4.6
145.04927	0.8
160.03938	0.4
163.84520	0.3
178.04980	100.0
179.05315	1.2
179.34267	0.3
206.02667	0.4
232.59666	0.3
261.05072	0.5
340.06061	0.6
340.10254	1.0
340.21460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1178
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
69.07047	0.4
69.80289	0.6
69.80705	1.1
77.47502	0.2
81.07040	0.4
96.08936	0.3
98.20866	0.3
110.06012	0.3
123.25288	0.2
129.62773	0.2
137.83548	0.2
166.04990	0.9
202.04692	0.2
226.04947	0.3
244.06047	0.4
248.20927	0.3
264.06567	4.3
265.07114	0.3
266.16614	0.3
268.06027	0.5
272.05499	1.4
278.08304	0.3
282.07587	5.4
284.05524	9.1
285.05896	0.4
286.04764	0.6
292.06134	1.8
296.05505	0.7
296.09183	1.6
297.06244	0.7
297.09888	0.9
298.07047	0.3
298.10535	0.3
307.08429	1.9
308.09146	5.9
308.12451	0.4
309.09467	0.3
310.07083	60.2
311.07376	3.0
322.10706	1.2
324.08676	2.7
325.09442	11.0
326.09738	0.7
340.11789	100.0
341.12210	5.8
364.29843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1181
Annotation	Cerasodine
Peak:m/z	Relative Intensity
50.99448	1.0
55.05510	1.8
56.96559	4.7
57.07068	1.2
59.04993	5.2
67.05492	1.5
71.52866	2.2
79.05477	1.4
81.03410	1.5
90.29563	1.0
91.05471	1.6
93.07041	1.9
95.01322	6.0
95.04980	2.1
95.82953	1.0
96.01672	2.0
105.07045	1.9
122.10474	1.3
135.11844	1.1
143.08563	1.3
177.04341	4.3
195.05347	2.4
198.13910	1.2
208.82491	1.0
210.08946	1.1
217.60002	1.1
219.06610	1.4
224.06932	1.0
226.04987	3.2
228.06531	1.4
236.06924	1.1
239.05952	2.7
242.04729	1.3
243.05238	6.7
244.06024	2.9
252.06549	3.2
254.07997	2.2
256.06061	4.9
264.06519	5.3
265.07312	1.9
266.04688	1.1
267.05276	70.1
268.05991	11.4
270.07608	2.3
278.08224	4.1
279.08856	2.3
280.06082	6.4
280.09714	18.4
281.06827	2.0
282.07632	14.2
283.08148	2.7
284.06299	5.9
285.05518	2.6
292.06055	3.1
294.07626	5.2
294.11261	4.0
295.08469	2.1
296.09201	5.5
297.09930	5.1
298.10797	12.2
306.07678	2.4
307.08347	6.6
308.09140	3.0
309.10141	1.6
310.07120	60.0
310.10391	3.0
311.07434	3.5
312.11914	2.3
322.10742	71.1
322.18777	2.3
323.11060	4.0
324.08722	1.3
325.09418	11.6
340.11798	100.0
340.19788	5.5
341.12112	6.8
341.16376	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03948	4.4
55.05514	26.3
57.03434	11.1
57.07080	12.4
60.95137	1.6
65.03948	3.9
67.05505	96.9
69.07072	24.7
69.53128	10.4
69.53535	3.5
71.04997	2.8
71.08618	2.5
74.75330	1.6
77.03961	1.8
79.05495	46.5
81.07056	100.0
82.07408	3.0
83.04980	1.6
83.08607	16.5
85.06525	5.1
91.05488	23.5
93.07044	70.1
95.04953	3.8
95.08611	86.9
96.08913	1.8
97.06513	4.6
97.10181	7.2
98.20708	1.8
99.08052	1.9
105.07024	28.6
105.07687	2.3
107.07875	3.3
107.08595	54.5
108.08892	1.9
109.06505	2.5
109.10156	45.2
111.08052	1.9
113.09641	2.7
116.86630	1.6
117.07035	10.8
119.08592	25.6
121.06548	2.7
121.10138	58.6
122.10496	2.4
123.08149	2.1
123.11692	21.3
125.56797	1.8
131.08586	19.1
133.10133	24.4
134.10542	2.0
135.11700	33.5
137.13257	3.0
139.11226	2.4
145.10143	27.1
147.11684	23.5
149.13261	20.2
151.11188	4.0
151.14772	2.4
159.11682	23.1
161.13292	6.8
163.14838	7.7
165.12833	2.8
171.23813	1.7
173.13274	16.9
175.11205	4.8
175.14864	2.0
187.14842	5.6
189.16385	2.2
219.06488	2.0
219.21089	5.0
223.53178	2.0
224.65640	2.4
229.19522	26.2
247.20584	95.9
248.20886	5.9
265.21680	5.0
265.25162	1.9
283.16946	40.0
284.17075	3.0
310.33136	1.7
321.24310	5.1
339.11435	3.7
339.25241	17.3
339.29135	18.5
339.77798	2.1
340.25461	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	339.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25440	2.7
55.05314	2.4
55.05518	25.3
57.02494	2.9
57.03433	11.2
57.07081	15.3
65.03951	3.6
66.01930	2.8
67.05507	91.2
68.05853	2.6
69.07072	31.5
69.30839	24.6
71.08623	5.6
79.05495	34.5
81.07058	100.0
83.08617	19.2
85.06506	4.4
85.77303	2.7
91.05487	21.2
93.07051	55.7
95.04967	3.9
95.08609	87.3
95.86517	3.0
96.08943	4.8
96.89539	2.7
97.06527	4.5
97.10181	7.7
105.07015	15.3
107.08599	42.9
109.10161	47.1
111.11765	2.9
117.06995	6.7
119.08618	15.5
121.10155	38.6
123.08182	3.4
123.11724	18.0
131.08592	16.4
133.10155	14.3
135.11691	30.8
137.09485	3.2
137.13286	4.9
145.10132	17.3
147.04436	6.7
147.11688	8.0
149.02361	6.8
149.13298	15.8
151.14882	3.0
159.11736	18.1
163.14825	4.7
167.03374	5.1
173.13280	12.3
187.14845	3.7
193.04965	4.9
203.03426	14.7
219.06479	5.2
229.19507	15.7
247.20570	78.7
248.20927	4.9
265.21664	5.4
321.24289	7.4
339.11444	10.2
339.15799	5.2
339.25409	8.6
339.29135	29.9
339.33725	3.2
339.77893	3.5
340.11722	4.4
349.90427	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	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03941	2.8
55.01877	2.6
55.05511	17.6
56.87926	1.6
57.03440	9.5
57.07063	5.7
63.40575	1.3
63.70842	1.5
65.03922	2.8
67.05506	90.8
68.05822	1.9
69.07072	12.8
71.04975	2.9
71.53026	1.4
71.53484	2.6
75.04462	1.8
79.05495	44.9
81.07056	100.0
83.04993	2.3
83.08629	7.6
85.06551	3.7
88.08868	1.6
91.05483	19.7
91.89075	1.4
93.07043	57.1
95.04981	2.9
95.08605	98.2
96.08940	1.9
97.06527	2.4
97.10163	3.5
105.07028	20.7
107.08591	42.0
109.06503	2.3
109.10159	54.3
117.07007	8.6
119.08585	18.6
121.06484	1.6
121.10139	39.9
123.08098	2.6
123.11713	19.3
125.09589	2.5
131.08551	16.1
133.10124	17.3
135.07999	1.4
135.11690	31.8
137.13264	5.6
139.11148	1.9
145.10109	22.2
147.11693	15.9
149.13269	20.6
155.18752	1.4
157.10205	1.5
159.11697	18.5
161.06107	1.6
161.13271	4.4
163.11214	2.0
163.14836	9.2
165.12726	1.8
173.13252	11.1
184.55797	1.3
187.14815	5.0
201.16316	2.0
219.21068	4.3
229.19513	28.5
230.19975	2.6
247.20580	89.7
248.20953	4.5
265.21606	10.4
283.16934	5.4
298.00177	1.6
303.23248	1.9
310.07056	2.8
321.20923	2.2
321.24213	12.1
339.25314	23.2
340.11737	4.8
340.25626	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	339.1226
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
53.03952	0.5
55.01875	0.6
55.05526	0.8
56.96544	0.5
57.03441	0.6
57.07085	0.4
57.46399	0.3
61.53263	0.3
65.03973	0.5
67.05504	1.4
68.99787	3.2
69.03438	0.4
69.07067	0.8
69.53433	2.4
75.49676	0.3
79.05501	2.8
81.03407	1.1
81.07061	9.6
83.04992	0.7
91.05474	1.7
93.07038	1.9
95.04962	0.8
95.08601	2.0
97.06497	0.4
97.10149	0.5
98.97566	0.3
103.05467	0.9
105.07040	2.2
107.04955	2.4
107.08582	0.9
109.02898	0.5
109.06520	11.1
111.04374	0.4
111.08133	0.3
115.05429	0.6
116.98657	0.4
117.07023	1.5
119.04968	1.0
119.08569	0.7
120.25735	0.4
121.02869	1.4
121.06548	1.6
121.10069	0.6
123.04453	0.7
123.08077	2.6
129.07011	0.4
131.04884	0.5
131.08527	0.4
133.06508	0.8
134.05980	0.3
135.04404	1.7
135.08087	0.6
137.02385	0.5
137.09607	0.3
139.00304	1.0
145.02803	0.4
145.06509	3.2
145.10173	0.4
147.04414	1.7
148.05220	0.8
149.02390	2.6
149.05975	2.0
151.07559	1.5
153.05470	1.7
154.45863	0.3
159.04466	1.0
163.03957	0.6
163.07545	0.9
165.01836	2.2
167.03412	3.0
171.08101	0.4
173.05963	1.4
176.04645	1.1
177.01845	13.4
177.05452	6.9
179.03444	0.8
183.02866	1.7
190.02696	0.6
190.89706	0.3
191.03415	1.6
191.07033	2.2
195.02821	0.4
195.06532	3.3
201.05515	3.6
204.04152	1.3
219.06529	100.0
220.06857	3.7
227.06947	0.3
237.07582	6.8
238.08051	0.4
242.16216	0.4
245.08186	0.6
256.06076	0.4
283.05984	1.4
284.05551	0.5
297.11224	1.4
339.08792	0.7
339.12228	12.5
339.23068	0.7
339.26785	0.5
340.12360	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.01852	1.0
55.05492	1.0
65.03938	1.1
69.03423	2.1
70.06585	3.8
70.68330	2.2
72.08151	2.5
79.05470	4.6
79.64794	1.1
81.03416	2.2
81.07050	8.0
82.06560	1.3
83.04973	1.4
83.06091	1.4
84.08135	2.4
85.02852	1.1
86.09696	2.3
91.05476	3.9
93.05756	1.0
93.07037	1.4
94.06565	2.7
95.04989	0.9
95.07338	1.0
96.04484	1.1
96.08117	2.7
96.87413	0.8
97.02926	0.9
99.32415	0.8
105.03404	1.1
106.06528	1.5
107.69801	0.8
108.08125	2.1
109.02865	2.0
109.05292	1.0
109.06469	1.3
110.06052	8.2
112.07582	1.2
117.03342	1.4
119.04910	2.4
120.04478	1.2
120.08103	0.9
122.06023	21.6
123.04372	0.9
123.06771	2.5
124.07582	17.7
127.03909	1.0
133.53307	1.0
134.06006	15.1
136.07576	85.8
137.07922	2.1
138.05479	1.6
140.07063	5.7
145.02789	2.6
147.04436	5.4
149.05891	1.0
150.05502	5.1
152.07060	100.0
153.07396	0.9
154.08592	1.5
158.08105	1.5
164.07062	99.1
165.07425	1.5
166.08623	2.5
168.06538	2.6
170.08134	15.5
177.05434	5.9
180.06551	0.9
182.08127	28.6
196.14406	1.3
200.10632	1.4
207.06497	2.2
214.12302	1.8
232.13269	1.8
233.08049	1.1
242.11801	1.7
260.12875	5.2
285.12405	2.6
303.13358	51.0
304.13806	1.3
321.10913	1.5
321.14459	11.7
339.11014	1.3
339.15527	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	339.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.9
55.01863	10.0
55.05499	14.6
56.05033	9.4
56.96560	4.2
57.03430	9.3
60.04253	3.0
60.04525	23.1
60.05657	3.2
67.05501	42.0
68.99794	3.9
69.03429	29.7
69.07055	10.0
70.02964	4.4
70.06207	5.2
70.06591	96.7
71.04994	87.0
71.51817	3.9
72.08154	43.9
73.02922	4.5
74.06084	6.1
76.00857	3.8
78.67084	3.0
78.69456	3.4
79.05475	12.9
81.03417	30.5
81.07053	69.4
81.42122	3.9
82.06544	3.9
83.05003	4.4
83.06105	56.1
84.04509	31.4
84.08143	66.4
85.02902	34.0
85.06535	21.0
85.08530	4.2
86.09709	47.4
88.79469	3.3
89.03929	5.4
91.05474	20.4
93.07030	9.0
94.06565	10.7
95.04942	17.1
95.06084	12.4
95.08587	15.1
97.02887	13.5
97.06544	7.0
98.06036	3.7
98.07259	3.5
99.04465	7.0
102.05503	3.9
105.01864	5.3
105.03396	12.2
105.07016	8.8
107.04967	19.0
107.08557	5.8
108.04472	7.1
108.08100	6.1
109.02891	31.4
109.06485	9.8
109.10190	3.9
110.06019	23.5
110.07139	19.9
111.04437	9.3
111.09259	3.4
112.07573	8.1
112.08714	12.5
115.08681	5.4
116.07079	25.9
117.03383	14.1
117.06985	4.8
119.04978	21.3
119.05693	3.5
119.08533	8.1
120.08109	30.5
121.02835	4.2
121.06476	6.2
121.10091	3.8
122.06026	100.0
123.04425	13.1
123.10962	4.0
123.11702	24.1
124.00937	3.4
124.07578	10.8
125.05975	4.6
125.07127	4.1
127.03915	24.7
129.10219	27.0
130.05025	7.1
131.04921	7.6
131.08572	4.1
132.10178	3.5
133.02832	4.4
133.06462	6.9
135.04407	7.8
135.08043	5.0
136.07579	45.4
137.05922	5.8
138.05556	5.8
138.09135	8.7
140.07071	6.3
141.12733	92.4
145.02817	23.7
145.04941	6.1
145.06535	4.4
147.04437	39.6
149.05939	7.9
150.05513	52.5
151.03920	6.3
152.07028	18.5
153.05475	8.0
153.38245	3.7
154.08633	25.9
155.07007	16.6
156.06570	4.6
156.07693	5.1
159.13792	42.8
160.07600	6.1
161.05913	5.8
162.05440	3.5
163.03891	8.9
164.07062	32.4
166.04909	5.3
166.12299	4.7
167.03395	10.5
168.06541	15.7
169.06448	3.9
170.08110	5.0
172.09694	29.7
175.03827	4.5
176.03438	12.8
177.03792	13.6
177.05396	71.9
177.09029	5.1
177.14850	28.9
178.05003	16.2
179.03546	4.0
179.07047	6.1
182.08142	15.9
183.06439	4.2
190.08737	4.6
191.03352	4.8
192.04620	3.6
192.06654	4.3
193.04942	8.1
196.14449	49.5
197.13091	5.0
200.10753	4.2
207.06512	26.1
215.08131	6.4
219.02888	12.6
219.06436	5.6
219.10268	3.9
224.13911	20.3
225.07578	8.8
238.05359	10.5
243.07683	11.7
261.07712	4.4
261.12354	6.9
267.43658	3.7
275.09171	5.1
279.09720	7.6
289.08167	11.7
296.15082	9.0
303.09213	3.3
303.10217	3.5
303.13278	23.4
307.09299	5.1
321.10620	6.2
321.14377	35.2
339.11343	27.1
339.15436	29.4
339.19940	9.3
340.12122	13.1
340.17435	12.8
340.21704	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1226
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
54.00334	0.5
55.05511	0.8
56.64779	0.4
65.03922	0.8
67.05496	0.8
68.99794	4.2
69.07061	0.7
69.92981	1.9
71.77601	0.4
79.05503	2.6
81.03423	1.1
81.07058	10.1
83.04964	0.6
91.05479	2.3
93.07027	1.9
95.04957	1.0
95.08598	2.1
98.20818	0.4
103.05489	1.0
105.07032	2.2
107.04951	3.3
107.08587	1.1
109.05829	0.7
109.06531	13.9
109.10143	0.6
111.00773	0.7
115.05387	0.6
116.93279	0.5
117.07030	1.2
119.04921	1.5
119.08591	1.0
121.02831	1.4
121.06478	1.7
121.10128	0.7
123.04438	0.8
123.08076	4.6
129.06985	0.6
131.04919	0.8
133.06494	0.9
133.10141	0.6
135.04413	1.7
135.08072	0.8
137.02303	0.7
139.00247	0.8
145.06435	2.6
147.04404	4.1
148.05148	0.5
149.02306	2.7
149.05989	1.7
151.07552	2.5
153.05457	1.9
159.04387	1.1
159.11719	0.5
163.03885	0.4
163.07533	1.0
165.01846	2.9
167.03403	3.6
173.05981	1.2
176.04681	1.6
177.01842	16.9
177.05438	6.7
178.02231	0.5
179.03429	1.1
179.34560	0.5
180.04231	0.4
183.02898	2.3
183.04366	0.6
191.03372	1.5
191.07086	2.7
195.02850	0.6
195.06548	4.4
201.05492	4.1
204.04182	1.9
219.06532	100.0
220.06857	2.8
237.07623	7.4
283.17044	1.0
297.11188	2.0
339.12274	56.6
339.23517	1.1
339.27454	0.8
340.12439	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	339.1226
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
51.28758	0.2
55.05486	0.2
56.56187	0.2
57.03416	0.3
65.03923	0.4
67.05485	0.8
68.99436	0.3
68.99791	2.9
70.13882	1.0
79.05500	1.6
81.03407	0.7
81.06591	0.4
81.07058	6.9
83.04986	0.4
91.05470	0.9
92.99891	0.2
93.07044	1.2
95.04980	0.4
95.08608	1.4
103.05488	0.5
105.03336	0.2
105.07043	1.2
107.04959	2.1
107.08573	0.6
109.06521	10.0
109.10161	0.3
111.00777	0.2
115.05466	0.4
117.07020	1.2
119.04932	0.3
119.08585	0.4
121.02871	0.7
121.06501	1.2
121.10133	0.4
123.04391	0.4
123.08069	2.4
131.04982	0.5
131.08522	0.3
133.06465	0.3
133.10103	0.2
135.04414	1.5
135.08060	0.5
137.02356	0.3
139.00249	0.7
145.06505	2.4
147.04410	1.3
147.06787	0.2
148.05215	0.3
149.02344	2.1
149.05997	1.8
151.07571	1.3
153.05446	1.1
159.04375	1.1
163.03876	0.4
163.07541	1.0
165.01846	2.9
167.03404	2.4
173.05978	1.4
173.13235	0.2
176.04745	1.0
177.01843	13.7
177.05473	6.1
178.02228	0.3
179.03362	0.8
183.02896	0.8
190.02568	0.3
191.03372	0.9
191.07056	2.6
195.02934	0.5
195.06522	2.7
201.05499	3.1
204.04196	1.7
214.42085	0.2
214.48946	0.2
219.06532	100.0
220.06860	3.1
237.07570	4.6
238.07925	0.3
245.08159	0.3
247.20532	0.4
297.11252	1.1
310.07022	0.6
339.12277	46.0
340.12549	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	339.1226
Annotation	Buceracidin B
Peak:m/z	Relative Intensity
53.03936	0.4
55.01858	0.3
55.05475	0.6
55.43737	0.3
57.03413	0.4
67.01856	0.3
67.05466	1.0
68.99796	2.7
69.03403	0.8
69.07041	0.4
69.27980	0.2
69.52539	2.0
77.91989	0.2
79.05492	2.3
81.03417	1.8
81.06596	0.5
81.07047	7.0
83.04980	0.5
85.02885	0.4
89.03899	0.4
91.05481	1.5
93.03397	0.2
93.07047	1.6
93.07537	0.3
95.04936	1.0
95.08606	1.8
97.02862	0.6
99.04404	0.4
103.05451	0.4
105.03362	0.5
105.07015	1.8
106.06527	0.7
107.04946	2.4
107.08567	1.0
109.02842	1.0
109.06513	8.7
109.10133	0.8
111.00760	0.4
111.08047	0.6
115.05437	0.5
115.35074	0.3
116.04984	0.5
117.03347	0.8
117.07024	1.6
119.04920	0.8
119.08572	0.4
121.02850	1.4
121.06481	1.0
121.10104	0.8
123.04443	0.4
123.08076	1.7
123.11662	0.4
127.03906	0.5
128.06181	0.4
129.07008	0.3
131.04933	0.6
131.08539	0.5
133.06511	0.5
133.10083	0.6
134.06010	8.3
135.04437	1.2
135.08040	0.7
135.11600	0.3
136.01500	0.4
137.05948	0.7
139.00250	0.8
142.07768	0.3
145.02849	1.9
145.06451	1.8
147.04396	0.9
148.05151	0.3
149.02348	1.9
149.05956	1.7
151.03854	0.6
151.07552	1.2
152.07051	0.8
153.05440	1.1
157.10146	0.5
159.04373	0.9
159.07990	0.3
163.03865	0.9
163.07518	1.0
165.01839	2.2
167.03386	2.0
167.07069	0.3
173.05963	1.0
175.03853	0.4
176.04724	0.7
177.01840	10.9
177.05453	9.3
177.06729	0.2
177.07048	0.3
177.10268	0.3
178.05862	0.3
179.03377	0.5
181.04938	0.8
183.02867	0.9
185.05844	0.3
189.05473	0.6
189.10281	0.5
190.02512	0.3
191.03358	1.4
191.07030	2.3
195.02892	0.4
195.06508	2.7
201.05458	2.6
204.04167	1.1
207.06493	0.6
207.11377	0.5
217.15916	0.3
219.06509	100.0
220.06851	3.7
235.07478	0.4
236.08354	0.3
237.07510	3.4
245.08142	0.4
247.07506	0.6
251.10661	0.5
254.92355	0.3
261.08932	0.3
263.06909	0.4
264.07727	0.7
279.10175	0.9
281.08127	0.5
293.08218	0.3
296.10419	0.3
297.11166	2.0
307.09607	1.4
311.09488	0.3
311.12613	1.2
321.09857	0.6
339.08731	0.8
339.12268	13.8
339.15759	0.5
340.12650	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.60247	1.7
51.48949	1.7
53.03946	6.1
55.01875	11.8
55.05502	2.6
56.05018	4.8
57.03426	3.3
60.04528	2.2
60.05630	2.6
61.02907	2.9
67.05489	7.3
68.99799	2.9
69.03438	17.0
69.07074	2.5
69.90177	7.1
70.06593	26.8
71.04963	2.3
72.08144	8.9
73.02903	8.6
73.06567	2.1
74.06065	2.8
79.05473	8.5
80.04990	2.4
81.03413	17.5
81.07032	7.9
82.06586	2.7
82.90272	2.1
83.05008	2.1
83.06107	5.6
84.04504	7.8
84.08149	18.1
85.02902	22.6
86.09703	9.1
87.00828	14.5
89.03902	3.3
91.05464	13.2
93.07040	4.4
94.06544	3.0
95.04980	10.4
95.08624	3.2
96.08136	3.9
97.02903	12.8
99.04439	3.9
103.05464	8.7
105.01870	13.0
105.03402	10.9
105.07025	6.2
107.04951	4.1
109.02881	27.8
110.06028	9.1
110.07183	4.5
111.04415	2.6
115.05446	5.9
116.07075	3.1
117.03358	7.1
117.07001	4.5
119.04955	12.6
119.08591	2.6
120.08105	15.9
121.02875	4.3
121.06490	3.4
121.08412	2.1
121.10078	2.1
122.06028	23.7
123.04433	5.9
123.06747	2.4
124.07603	14.2
127.03924	17.9
129.10216	7.0
130.04124	2.8
130.05067	2.6
131.04919	5.3
131.08560	3.9
132.05670	3.1
133.06477	9.0
134.05978	12.1
135.04448	2.9
135.08102	2.3
136.07581	71.4
137.05954	3.2
140.07062	5.5
141.06944	3.1
144.05675	7.0
145.02806	10.3
145.04913	4.4
145.06517	12.3
146.03633	6.2
146.08124	2.7
147.04384	30.0
148.06166	2.4
149.05966	6.3
150.05508	9.2
151.08691	2.0
152.05884	4.1
152.07072	69.8
153.05429	2.9
158.06018	23.6
159.06352	28.8
159.08028	5.7
160.05144	3.2
161.05975	19.3
163.03873	4.3
164.07071	80.6
165.05446	2.8
167.07014	4.8
168.06551	4.3
169.06479	4.0
170.08105	9.8
171.04359	2.6
172.05127	12.2
172.09724	2.6
173.05978	12.5
175.03897	5.9
175.07498	2.1
176.04758	4.0
176.07072	3.6
177.03922	2.2
177.05464	25.5
177.07312	5.6
178.04897	4.5
178.06314	10.2
179.07028	25.4
181.04930	2.5
182.08130	19.7
183.04451	2.4
183.06514	2.8
186.06754	3.4
187.07507	8.6
188.04620	2.3
189.05429	12.4
190.06207	6.4
190.08551	2.8
191.03316	3.6
191.07048	20.7
192.04182	6.4
193.04935	5.4
196.05348	2.0
197.06052	10.0
199.07574	3.0
200.04680	7.1
201.05429	4.3
203.06989	2.9
204.04092	2.4
205.04932	4.2
205.08566	12.6
206.05754	18.3
207.06537	100.0
208.07066	4.1
215.06969	9.4
217.04936	6.9
218.05688	8.1
219.03159	2.3
219.06516	38.7
219.10036	3.8
221.08139	15.5
222.05286	2.8
223.05946	2.5
225.05571	3.1
225.07614	5.2
228.04239	3.6
229.04994	3.5
231.06770	3.1
233.07990	16.8
234.05302	4.2
235.05959	4.9
236.06715	2.5
237.07518	16.3
242.05965	2.9
243.06601	6.5
244.07280	2.7
246.05064	5.6
247.06006	6.5
247.09636	7.4
247.82033	2.0
249.07590	20.3
251.09081	6.2
252.06277	8.1
257.08151	10.9
259.09747	4.6
260.06827	3.1
260.12857	3.2
261.07578	9.9
262.08267	3.5
265.07019	19.6
271.05988	11.0
275.09167	32.5
277.07062	2.8
285.12384	2.6
288.06183	2.7
289.07111	4.2
291.08676	2.8
293.10318	3.7
303.08673	12.1
303.13382	30.5
321.09601	22.8
321.14279	13.4
339.07166	3.5
339.10770	49.4
339.15414	8.5
339.21063	2.5
340.12158	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03938	2.6
55.01871	2.2
55.05491	0.6
57.03446	1.3
63.02401	0.5
65.03946	0.9
67.05502	2.2
68.99799	1.3
69.03430	8.2
69.03775	0.7
69.07080	0.5
69.28095	0.4
69.88123	2.3
71.05002	1.6
73.02937	1.0
79.05494	3.3
81.03417	25.1
81.07069	1.7
83.04991	0.6
85.02911	6.3
89.03913	7.7
91.05485	3.5
93.03398	1.0
93.07053	1.7
95.04966	9.7
95.08611	1.3
97.02901	1.6
97.06534	0.5
98.21410	0.6
99.04459	1.9
103.05451	0.6
105.03381	5.5
105.07011	1.2
107.04965	3.7
107.08601	1.4
108.08140	0.5
109.02883	14.2
109.06506	0.6
109.10188	0.9
111.08130	0.5
115.04030	0.5
117.03378	24.3
119.04937	3.8
119.08552	0.9
121.02847	4.7
121.06489	0.8
121.10152	1.1
123.04417	5.7
123.11677	0.5
125.09655	0.4
127.03915	3.4
133.10156	0.6
134.03593	2.3
135.04419	7.7
135.08095	0.5
135.11688	0.6
137.06023	0.9
144.65031	0.4
145.02840	61.2
145.10074	0.6
146.03175	0.7
147.04405	11.0
149.02347	1.8
149.05977	8.2
149.09555	0.5
149.13231	0.5
151.03888	2.2
159.11696	0.5
162.03116	0.6
163.03908	17.0
175.03886	0.8
177.01892	2.9
177.05464	100.0
178.05817	2.1
179.10776	0.5
181.04878	0.9
186.05482	1.3
189.05487	0.6
191.03386	41.8
192.03731	1.0
195.02859	3.8
195.06520	3.2
205.05025	0.6
207.06517	0.8
209.04422	2.3
217.04865	0.7
219.02884	85.7
219.06418	2.3
220.03232	2.0
237.03931	5.3
245.04407	0.8
256.98825	0.5
261.03998	2.8
269.07880	0.7
279.08627	1.2
297.07520	3.2
311.09018	0.6
321.09747	21.7
321.23734	0.5
339.08487	19.6
339.19357	0.7
340.08865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
54.40227	1.0
55.01857	2.9
55.05490	1.3
57.03438	1.2
67.05496	3.6
68.99744	1.0
69.03394	3.1
69.46335	7.6
69.46742	1.9
70.06593	6.1
70.30998	1.0
71.04982	1.6
72.08147	3.5
73.02908	1.6
74.06063	1.8
79.05487	5.1
81.03404	4.4
81.07042	7.7
83.06113	2.5
84.08128	3.6
85.02896	3.2
86.09704	2.4
89.59481	1.2
91.05482	6.7
93.05763	1.3
93.07037	3.4
94.06550	4.1
95.04939	3.4
96.04496	1.2
96.08131	2.9
97.02904	1.6
103.03906	1.8
103.05450	3.0
105.03390	3.7
105.07044	2.8
107.04945	2.0
108.08096	2.4
109.02866	5.0
109.06539	1.9
110.06031	10.9
114.28418	1.0
115.05454	1.8
117.03345	2.0
117.07033	1.6
118.98533	1.1
119.04937	7.2
120.08103	3.0
121.02895	2.4
122.06031	22.5
123.04421	2.5
123.06789	2.4
124.07576	17.4
127.03909	2.6
129.06960	1.4
131.04941	3.1
131.31592	1.2
133.06451	3.4
134.06010	10.4
135.04391	1.2
136.07579	76.2
137.05995	1.5
140.07076	7.9
144.05730	1.3
145.02820	4.0
145.06458	3.8
146.03644	1.3
147.04404	26.3
149.05966	2.1
150.05507	8.5
152.07068	93.5
154.08554	1.7
158.08109	2.0
159.08176	1.8
161.05957	4.5
163.03934	1.9
164.07066	100.0
166.08597	2.3
166.12186	1.6
167.06958	2.0
168.06557	4.3
170.08122	18.4
172.11232	1.6
173.05893	3.2
175.03877	2.3
176.04774	1.8
177.03932	1.8
177.05432	16.3
178.04955	4.7
178.06290	2.0
179.07063	6.1
181.04936	1.8
182.08116	27.7
187.07492	1.4
188.04674	1.4
189.05464	2.4
190.06232	1.7
191.03403	1.3
191.07008	5.0
192.04132	3.0
193.04980	2.1
196.14481	1.9
197.06087	1.9
201.05432	1.6
204.04184	2.1
205.04965	1.9
205.08578	4.5
206.05704	2.5
207.06520	34.8
208.07211	1.4
217.05051	1.5
219.06554	7.8
221.08133	2.4
222.05281	2.3
229.04794	1.3
232.13354	1.7
233.08011	6.4
235.06052	1.7
237.07565	12.2
242.11717	2.2
243.06628	1.6
249.07579	4.5
251.09016	1.8
252.06351	1.6
257.07922	2.5
259.09579	1.3
260.12704	3.3
261.07565	1.7
265.07013	2.7
275.09113	6.1
279.08752	2.2
285.12219	3.0
289.07947	2.5
293.09982	1.7
303.08633	2.7
303.13370	42.5
321.09891	4.5
321.14395	12.5
339.10812	37.1
339.15210	2.5
339.21442	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.102
Annotation	N-Formylovigerine
Peak:m/z	Relative Intensity
53.44005	0.5
53.80651	0.5
56.75552	0.5
56.96561	3.5
57.07057	1.7
59.04981	0.9
67.05486	1.4
69.07068	1.4
71.51649	0.8
79.05478	0.6
80.05009	1.1
81.03416	0.8
81.07074	0.6
87.51671	0.5
95.01365	0.5
97.99140	0.5
105.07043	1.1
108.04501	0.8
117.06985	0.9
136.03925	2.4
145.10051	0.6
161.57849	0.6
177.04349	4.5
195.05411	3.0
200.05936	1.8
201.05461	2.8
211.63147	0.6
214.05017	2.3
216.08148	0.8
219.06424	0.6
224.06868	0.9
226.04993	1.9
230.04597	0.9
238.04980	1.2
239.05830	1.2
239.09425	0.8
240.06575	2.5
242.04433	7.2
246.09430	0.6
249.07906	0.6
250.04854	0.7
252.06470	2.0
254.04425	3.4
254.11850	1.2
255.05270	5.2
256.06000	0.7
264.10248	1.2
266.04498	1.4
266.07965	1.1
267.05273	11.0
268.05984	2.6
268.09570	1.0
277.07462	0.7
278.08331	1.6
280.06076	14.8
280.09198	0.7
281.03253	0.9
281.06650	2.0
282.11230	1.3
283.05109	1.6
284.05469	1.0
292.09662	4.2
292.16986	1.2
294.07617	2.3
295.08377	2.4
296.05511	0.8
296.09161	1.0
308.05560	1.2
310.10736	67.5
311.11069	2.1
311.66800	0.6
322.07327	0.7
323.07935	1.2
338.10233	100.0
339.10419	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	338.1231
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
50.31528	0.4
56.54253	0.5
56.75269	0.5
60.76241	0.4
70.06573	0.5
70.84925	1.4
83.04925	0.4
105.93748	0.5
106.06592	0.6
106.26069	0.4
108.08146	0.5
134.06003	6.1
146.05977	0.5
172.90846	0.5
176.07068	100.0
177.05450	0.6
177.07420	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	338.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42648	0.9
53.03946	1.3
55.01867	2.1
55.05511	8.4
57.07068	2.4
62.06090	100.0
65.03898	0.8
67.05139	1.0
67.05507	20.7
69.07064	6.2
69.56145	7.2
70.06592	1.5
71.04984	1.9
71.08629	6.6
79.05492	12.7
81.07056	16.6
83.04986	2.3
83.08615	3.9
85.06538	1.6
91.05476	6.6
93.07043	11.8
95.04990	2.0
95.08603	9.7
97.06525	2.4
97.10182	2.1
98.06084	2.0
99.08072	4.5
105.07029	6.7
107.04958	1.2
107.08601	9.3
109.06503	1.3
109.10140	8.7
117.07047	2.6
119.08619	5.1
120.04471	1.8
121.10140	4.6
122.10462	1.2
123.11710	1.7
124.11262	3.0
125.09635	1.4
129.07016	1.0
131.08559	2.6
133.10123	3.8
134.05994	3.1
135.07967	1.1
135.11705	4.4
138.05521	1.3
143.08566	1.0
145.10126	1.2
147.11688	2.9
149.13229	1.1
151.11157	3.1
159.11754	1.9
161.13242	2.9
163.11206	1.8
163.14796	1.1
173.11752	1.3
173.13155	1.2
175.14787	1.2
179.14320	2.6
180.14632	2.0
185.13428	1.2
196.13336	12.2
210.09195	1.0
214.14360	14.4
216.15952	1.8
219.06512	1.6
220.06001	2.9
222.18488	5.2
240.19595	7.7
242.73058	1.0
259.20517	3.1
277.21591	4.3
281.06482	1.1
283.05566	1.0
296.16385	1.7
310.10922	2.3
320.25836	53.7
321.08527	1.9
321.24149	3.6
338.10455	5.4
338.14099	1.6
338.20703	1.1
338.26941	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	337.9701
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96301	2.2
56.96566	30.4
69.79600	5.7
69.80010	3.8
71.95254	6.3
81.13718	1.6
98.20858	3.1
98.97589	100.0
110.75476	1.5
116.98626	95.9
119.01917	4.5
130.93321	1.5
134.99661	57.5
137.03075	1.6
138.98936	1.8
140.00180	3.2
150.27884	1.6
153.00713	10.8
153.81430	1.4
158.01289	3.6
169.11893	1.6
174.97614	6.2
177.00945	2.5
190.95418	2.6
192.98691	5.6
194.91205	2.3
198.97644	4.3
207.96207	1.7
210.89017	1.9
212.92287	13.3
216.98714	45.4
217.99028	1.5
218.91299	2.9
219.02066	3.7
228.90059	6.4
230.89636	4.8
230.93365	14.3
232.96400	2.8
234.99774	81.9
235.99893	3.5
236.92300	4.0
246.91100	6.0
248.94412	5.7
253.00783	4.0
254.11609	1.7
254.93347	15.8
256.96466	4.5
258.01324	5.6
258.96420	1.7
258.99707	8.6
260.99750	1.8
261.03122	4.7
263.02805	1.9
270.91003	5.9
272.90884	5.6
272.94388	74.0
274.97488	16.6
276.98032	2.7
277.00824	13.0
277.32065	1.9
277.94983	2.2
278.00861	1.9
288.92133	22.5
289.92480	2.1
290.01004	1.6
290.91870	21.9
290.95432	37.4
292.98508	8.9
295.95956	5.0
296.94437	6.9
306.93295	12.4
308.92859	14.6
311.25873	1.8
311.59149	2.1
313.97058	5.3
314.95416	62.8
332.39716	3.0
332.91226	7.3
332.96228	8.0
333.25150	2.0
333.92761	3.1
337.97018	4.7
341.40048	3.0
341.91437	5.4
342.41873	2.6
342.93350	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	337.2734
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03936	1.9
54.05946	0.9
55.01876	1.4
55.05511	36.4
57.03437	24.7
57.07068	6.0
65.03922	3.5
66.13586	0.8
67.05506	82.4
69.07069	44.0
69.29989	7.6
70.39612	0.9
71.05000	1.7
71.08633	1.3
79.05492	21.0
81.07055	79.2
82.07391	1.4
83.04964	2.7
83.08620	23.4
85.06526	1.6
85.10178	1.3
91.05480	11.9
93.06493	1.6
93.07043	20.1
95.04999	1.6
95.08605	62.1
97.06515	4.7
97.10170	12.6
98.20674	1.8
105.07033	8.2
107.08603	10.8
109.06506	1.4
109.10158	23.1
110.92039	0.9
111.08068	2.1
111.11679	2.2
114.23534	0.9
117.28506	1.0
119.08568	8.0
121.10136	8.9
123.11700	9.2
123.40430	0.8
133.10123	7.3
135.11682	5.8
137.09618	1.8
137.13287	4.3
147.11707	6.1
149.13252	3.9
151.11208	1.4
151.14867	1.7
161.13255	4.3
163.14795	3.3
175.14784	2.8
177.16376	0.9
189.16391	1.4
245.22641	2.7
263.23672	5.9
319.09656	1.3
321.07590	1.5
337.10678	10.3
337.27371	100.0
338.10904	1.3
338.27640	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	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01859	1.3
55.05513	38.8
56.05861	1.0
56.50307	0.9
57.03440	24.6
57.07076	5.3
58.18092	1.0
63.80231	1.0
65.03934	3.1
67.05507	85.8
68.05836	0.9
68.99793	1.0
69.07071	48.0
70.77561	2.8
71.04981	3.4
71.08635	2.0
79.05498	19.3
81.07060	76.4
82.07345	2.0
83.04964	2.9
83.08624	20.2
85.06541	2.2
91.05489	15.2
93.06485	1.4
93.07053	22.3
95.04992	2.2
95.08612	59.1
96.08920	2.0
97.06528	5.1
97.10177	12.2
99.08073	1.7
105.07027	11.9
107.08600	10.3
109.10155	21.4
109.10847	1.9
110.10494	1.0
111.08069	3.7
111.11713	2.8
117.06922	0.9
119.08604	9.5
121.02868	4.5
121.10168	9.0
123.11705	10.5
125.09605	1.3
131.08655	1.2
133.10150	9.3
135.11710	6.6
137.13275	4.1
138.67769	1.1
147.11688	5.9
149.13286	2.8
151.14790	1.1
161.13280	4.1
163.14818	3.7
168.09541	1.1
175.14865	1.7
183.11699	1.2
189.16400	2.9
201.05539	3.3
245.22560	1.2
263.23697	4.1
307.06018	1.3
309.07639	1.5
319.09628	5.6
321.07657	4.4
322.08398	2.9
337.10706	49.1
337.27402	100.0
338.11041	7.7
338.27689	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	337.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01878	2.1
55.05512	41.8
57.03160	1.4
57.03436	24.0
57.07081	5.7
57.37557	1.1
59.04962	1.0
65.03937	2.6
67.05506	86.2
68.05835	1.2
69.07072	54.2
69.21800	9.6
69.22202	3.2
71.04992	1.8
71.08624	2.7
79.05071	1.6
79.05495	21.1
81.07059	80.4
82.07375	1.4
83.04975	2.9
83.08623	23.7
85.06523	2.7
85.96867	1.2
91.05473	13.3
92.60989	1.1
93.07048	21.6
95.04987	1.9
95.08607	57.0
96.08950	1.9
97.06521	3.9
97.10162	12.9
99.08050	2.7
105.07033	9.7
107.08595	12.0
109.09467	2.0
109.10157	21.2
109.32093	1.1
111.08086	3.2
111.11725	2.7
119.08583	8.4
121.02892	3.0
121.10157	9.0
123.11710	9.4
125.09617	2.4
131.08699	1.3
133.10129	8.4
135.11711	6.1
137.13255	4.2
147.11681	4.7
149.13246	3.4
151.14815	2.5
155.13275	1.1
161.13268	5.6
163.14763	1.9
165.12654	1.7
173.22235	1.1
175.14845	3.3
189.16458	1.3
201.05565	1.3
245.22743	1.9
263.23712	4.2
307.05682	1.2
319.09564	2.3
337.10767	19.7
337.27380	100.0
338.11011	3.8
338.27750	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.5
54.93535	3.1
55.05507	48.1
57.03437	66.6
57.07079	16.9
65.03928	3.9
67.05504	68.6
69.07069	87.8
71.04995	2.8
71.08636	6.5
71.26572	3.4
71.26923	4.6
79.05492	22.8
81.06590	6.1
81.07056	100.0
83.04966	6.6
83.08616	50.7
85.06536	11.4
91.05482	25.3
93.07043	33.5
94.26730	2.4
95.04956	8.3
95.08604	99.8
97.06527	8.4
97.10156	35.0
99.04461	6.5
105.03393	3.9
105.07040	24.5
107.04930	3.5
107.08602	29.9
109.06495	6.1
109.10163	52.9
111.08088	7.5
111.11703	7.7
115.03922	5.3
115.05505	3.0
117.05497	6.4
117.07022	7.2
119.08576	27.8
120.30688	2.7
121.02856	4.2
121.06532	3.1
121.10151	25.8
123.08038	6.3
123.11720	21.3
125.09640	6.9
125.13249	3.9
129.05508	6.5
129.07039	4.3
131.08546	12.2
133.10130	23.3
135.08015	4.8
135.11699	11.9
137.09645	3.6
137.13245	9.6
139.07553	4.1
139.11124	4.1
143.08583	5.8
145.10103	15.3
147.11702	18.8
147.32510	2.5
149.09602	3.4
149.13277	11.1
151.11147	3.1
151.14813	5.8
153.09140	3.8
155.10692	12.9
157.10155	4.7
159.11673	9.5
161.09607	3.0
161.13261	17.0
162.13686	2.7
163.11162	4.8
163.14825	6.3
165.16435	5.5
169.10139	3.0
171.10210	3.9
171.11690	7.5
173.13214	13.2
175.14842	7.3
177.16458	4.4
179.17915	14.3
183.11668	4.8
185.11749	6.2
185.13246	6.3
187.14882	8.6
189.16441	4.4
195.13812	5.8
197.13376	3.7
199.13316	8.1
201.05453	5.6
202.11517	2.7
205.19475	5.4
209.15366	4.0
211.13110	3.9
213.14830	6.3
219.21344	3.2
221.15323	4.0
223.14915	3.6
223.16982	4.6
227.16281	5.2
235.16905	6.3
237.18530	4.1
243.21123	7.9
245.22710	20.3
249.18636	6.2
255.19847	3.7
273.25842	5.1
283.24164	6.4
297.67419	2.7
301.25101	15.7
307.06036	4.9
319.09744	10.9
319.26559	41.3
321.07709	6.2
322.08331	6.8
337.10709	76.7
337.17831	3.1
337.21106	3.7
337.25098	19.1
337.27737	20.8
338.11154	10.2
338.25739	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	337.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78674	1.5
58.95558	1.4
60.54826	1.3
66.91908	1.4
69.94492	3.3
69.94904	4.0
77.58105	1.2
78.96722	1.3
81.03174	4.6
82.07507	1.4
94.03921	3.3
98.21482	2.8
159.89911	1.3
166.08316	1.4
197.02133	5.6
198.02943	6.5
239.06837	2.9
253.04724	22.7
268.07089	26.0
269.07855	89.6
270.08124	4.2
321.07611	2.5
333.20407	1.5
337.10666	7.5
337.14108	100.0
338.10562	1.9
338.14496	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	337.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02662	0.4
59.74681	0.4
65.03941	0.4
67.05499	0.7
68.99779	1.9
69.07060	0.5
70.60451	1.2
70.60802	0.4
81.07065	0.7
105.07076	0.5
117.06976	0.6
119.04914	1.1
121.02869	9.0
121.03749	0.7
126.81418	0.6
130.74890	0.4
137.13486	0.4
145.06505	2.6
163.03882	2.2
163.40353	0.5
175.07489	0.7
198.02908	3.8
201.05463	4.9
201.12668	0.5
219.06606	0.5
225.01552	1.4
225.05267	0.9
253.04622	0.9
268.07065	11.9
269.07837	56.0
270.08133	2.8
276.07889	1.0
283.05905	1.2
293.08139	1.7
294.08859	0.5
305.07950	1.2
307.05975	6.1
308.06653	1.1
319.09668	12.3
320.09927	1.0
321.07529	12.5
322.08310	9.2
323.08682	0.5
336.06253	1.2
337.10648	100.0
337.14200	28.7
338.11011	8.7
338.14557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.6
53.03939	0.5
55.01874	1.2
55.05505	0.5
57.07057	0.7
58.02958	0.6
67.05488	0.7
69.07056	0.5
69.78342	2.3
70.06594	0.4
77.03934	0.7
79.05476	0.4
81.03423	0.5
81.07050	1.3
85.98058	0.4
87.82774	0.4
91.05485	0.5
93.07073	1.0
95.04951	0.8
95.08611	1.1
97.06512	0.5
98.21544	0.5
99.74244	0.4
103.05467	30.9
104.05762	0.7
105.03415	3.8
105.07013	1.6
106.03725	1.1
106.06566	1.9
107.08603	0.7
109.02832	0.4
109.10136	0.5
115.05502	0.4
119.08580	1.2
120.04475	0.6
120.08089	1.0
121.02787	0.4
121.10154	0.5
130.06525	13.0
130.07509	0.6
131.04930	100.0
132.05241	2.0
133.10118	0.7
134.06053	0.7
136.07607	1.0
143.08611	0.4
144.08109	0.7
146.06009	0.7
148.07573	22.5
148.84044	0.4
149.07922	1.0
158.06021	6.9
159.06352	0.6
161.10732	1.0
162.09148	30.6
163.09479	1.3
174.09142	2.6
176.07074	1.5
176.10707	1.0
178.67116	0.4
187.07556	0.4
207.11357	1.3
216.10204	4.2
234.06808	0.5
264.85284	0.4
266.11801	0.5
278.11667	0.5
305.08099	0.6
309.15976	2.1
319.14438	2.5
337.10889	3.2
337.14691	0.7
337.21457	2.8
338.10513	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	337.1066
Annotation	Dulciol D
Peak:m/z	Relative Intensity
51.66517	0.2
58.81316	0.2
64.31021	0.2
65.03929	0.4
65.21487	0.2
67.05495	0.3
67.82849	0.2
68.99785	2.5
69.46814	0.9
69.47249	0.7
74.65606	0.2
79.01872	0.2
79.05480	0.2
81.07070	1.1
84.33477	0.2
88.59908	0.2
91.05483	0.6
95.04967	0.6
105.07024	0.6
111.04403	0.4
115.05448	0.3
117.07023	1.1
119.04916	1.2
121.02861	12.8
121.03912	0.6
136.91360	0.2
144.37067	0.2
145.02841	0.5
145.06485	3.5
148.05182	0.3
157.06490	0.5
160.05290	0.3
163.03908	1.9
169.32062	0.2
173.05965	0.3
175.07454	0.5
176.04683	0.4
191.03334	0.5
199.07581	0.4
201.05461	7.6
203.03409	0.5
219.06519	1.0
229.04944	0.6
245.09564	0.3
247.07739	0.2
248.08183	0.4
253.08517	0.2
273.09015	0.4
276.07813	1.4
277.08557	0.3
279.06549	0.4
283.05936	1.0
293.08118	2.3
294.08685	0.3
295.05923	0.6
304.07272	0.8
305.07944	1.3
307.05981	7.2
308.06766	1.1
309.07452	0.5
319.09634	16.1
320.09988	0.6
321.07553	16.7
322.08328	10.0
323.08524	0.3
335.09033	0.4
336.06250	1.7
337.10675	100.0
338.11017	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	337.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64511	1.5
53.03954	3.6
55.01861	3.4
55.05510	3.1
56.05024	6.4
56.96297	3.6
56.96566	53.3
57.03433	6.3
58.06603	1.8
59.04986	2.4
60.04527	7.4
60.05644	3.2
61.02922	8.8
67.05507	2.3
69.03435	23.7
69.07065	7.1
69.96418	4.8
69.96815	3.3
70.02945	2.0
70.06599	38.9
71.01372	2.0
71.05006	8.5
71.06927	3.5
72.08155	15.0
73.02916	7.1
73.06554	3.0
74.06072	4.9
81.03422	11.9
81.07057	5.1
82.06589	1.8
83.75378	1.6
84.04493	8.6
84.08131	17.6
84.96031	4.6
85.02908	57.2
85.06536	2.5
86.03214	2.6
86.06038	1.8
86.09715	14.2
87.04482	3.2
88.07621	2.7
91.05472	5.9
93.07060	2.7
94.06577	5.0
95.04965	3.8
95.08586	3.2
97.02899	18.0
98.06034	2.3
98.97588	32.2
99.04453	5.2
101.02389	1.7
102.05538	4.2
102.96843	2.2
103.03963	3.0
103.69181	1.9
104.05128	1.9
105.03396	20.4
107.04946	4.4
109.02891	7.7
110.06054	2.2
110.07153	7.4
110.97611	3.6
111.10004	1.7
112.07638	3.5
112.08714	4.7
112.99110	1.9
113.05965	2.4
114.05507	2.9
115.00683	5.3
116.05041	1.8
116.07104	4.5
116.98618	22.6
117.05674	2.5
118.06564	17.7
119.01853	3.1
119.04939	4.6
119.06953	1.7
120.08141	4.8
121.02849	2.6
122.05988	3.1
123.08052	3.7
127.03915	11.2
128.02341	2.0
128.07056	2.5
128.10732	2.6
128.73981	1.9
128.98624	5.8
129.10237	7.2
130.05028	1.9
130.06526	45.6
130.08569	3.3
131.00179	5.7
132.04454	48.2
133.01707	5.6
134.06030	6.8
134.86545	1.7
134.99637	11.1
136.07610	8.4
140.07069	3.5
140.10709	4.9
143.00197	4.0
144.06543	2.4
144.08075	12.0
145.01704	2.0
145.05052	7.6
146.06010	49.8
146.99666	6.6
147.04413	7.8
148.07631	2.4
149.01227	3.6
150.05562	2.3
153.00725	2.4
154.06424	2.2
157.01614	2.1
157.07614	28.9
158.06024	37.7
158.99672	6.1
159.03342	3.4
160.07639	3.1
161.01250	3.6
161.04863	2.6
163.02776	4.3
164.07069	3.0
168.06631	2.3
169.07597	4.5
170.06010	3.0
170.08307	2.6
170.99706	4.0
171.06717	2.6
171.09200	4.2
172.07587	6.4
173.01160	2.7
174.05524	67.1
174.11269	3.7
174.99060	2.8
175.02687	2.3
175.06378	2.9
175.08685	77.5
175.11749	7.5
176.07143	2.5
176.09181	9.1
177.00740	9.4
177.04440	1.9
177.05943	4.4
178.96539	3.7
184.07677	1.9
185.07086	3.8
186.07863	6.3
187.08643	11.6
188.07137	2.1
189.00717	2.6
191.02168	2.3
191.08701	2.3
193.00235	3.3
193.03847	3.3
199.08777	12.5
200.02347	2.6
200.07094	22.1
211.06671	2.0
217.09738	100.0
218.09972	3.7
219.01697	8.8
223.04564	3.8
223.07433	2.9
230.03119	1.8
237.02776	11.4
238.98624	2.2
250.13562	2.1
251.09569	13.7
254.57217	2.1
256.99710	2.1
259.10806	2.1
269.10635	33.5
270.10986	2.2
274.11142	4.0
276.08582	3.8
277.07507	12.0
284.14972	2.4
293.10706	6.8
294.09897	3.3
295.08542	19.6
301.11865	5.9
302.15939	4.0
311.11649	6.2
313.09485	15.0
318.10132	1.8
319.12830	6.4
320.17020	3.8
335.10159	2.0
336.10757	2.6
337.04993	2.6
337.10452	5.5
337.13919	17.7
338.17932	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	337.1067
Annotation	Dulciol D
Peak:m/z	Relative Intensity
65.03920	0.4
68.99792	1.7
69.77989	0.4
69.78405	0.5
81.07058	0.9
91.05460	0.4
95.04941	0.3
98.20880	0.3
105.07057	0.3
111.04399	0.3
117.06989	0.5
119.04942	0.6
120.05666	0.2
121.02869	8.8
121.03845	0.4
122.03195	0.2
132.19296	0.2
145.02835	0.3
145.06493	2.1
155.68036	0.2
163.03905	1.6
173.05954	0.4
175.07507	0.4
187.03874	0.2
191.03465	0.3
192.04237	0.2
198.02937	0.3
199.07539	0.3
201.05467	6.1
203.03290	0.2
219.06538	0.7
229.04929	0.6
245.09758	0.2
249.09435	0.2
268.07095	0.5
269.07828	2.4
273.09076	0.2
276.07846	0.6
277.08478	0.3
279.06644	0.5
283.05954	0.7
293.08032	1.7
294.08850	0.2
295.05963	0.4
297.07593	0.3
303.07449	0.2
304.07285	0.5
305.08051	1.0
307.05978	5.0
308.06732	0.9
309.07419	0.5
319.09641	13.3
320.09976	0.5
321.07571	10.5
322.08331	7.7
323.08871	0.4
335.09222	0.3
336.06302	1.6
337.10678	100.0
338.11075	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1065
Annotation	Dulciol D
Peak:m/z	Relative Intensity
53.03941	0.2
55.05500	0.3
65.03942	0.3
67.05489	0.4
68.99788	2.0
69.03444	0.2
69.07085	0.6
70.05064	0.4
70.55021	0.1
71.04980	0.2
71.23772	0.1
72.67001	0.1
79.01849	0.1
79.05486	0.6
81.03403	0.4
81.07051	2.0
83.08601	0.2
84.57005	0.1
85.02889	0.1
91.05489	0.7
93.07036	0.7
95.04967	0.8
95.08601	0.7
97.03064	0.1
97.06595	0.2
97.10170	0.1
98.20898	0.2
105.03384	4.1
105.04459	0.2
105.07033	1.2
106.03700	1.2
107.04949	0.2
107.08581	0.5
109.02905	0.4
109.06528	0.5
109.10186	0.7
110.46223	0.1
111.04416	0.3
115.02663	0.1
115.05456	0.3
117.06994	0.8
119.04938	0.9
119.08575	0.4
121.02861	8.8
121.10143	0.3
123.08074	0.2
123.11711	0.4
125.09601	0.2
127.03921	0.2
127.07605	0.2
128.06247	0.2
131.04877	0.1
131.08534	0.2
133.06528	0.2
133.10083	0.3
134.05997	0.3
135.11656	0.3
137.05986	0.3
137.09644	0.2
137.13243	0.1
145.02795	0.2
145.06483	1.8
145.10139	0.2
147.04370	0.3
147.08080	0.2
147.11646	0.5
149.02475	0.1
149.05930	0.2
149.13264	0.2
151.03865	0.1
151.11185	0.2
157.06453	0.2
159.04433	0.2
159.11752	0.3
161.10719	0.7
161.13281	0.2
162.09137	1.4
162.11087	0.4
163.03888	1.6
163.09532	0.3
165.12633	0.2
171.11656	0.2
173.05919	0.2
175.07527	0.4
175.12305	0.4
176.04642	0.3
176.10741	0.4
176.12613	0.5
177.05460	0.2
177.11047	0.3
177.12646	0.1
178.12959	0.1
189.16156	0.2
191.03317	0.3
192.04144	0.2
193.12213	0.2
197.13339	0.2
199.07524	0.3
201.05467	6.0
202.02689	0.2
202.07808	0.2
203.03424	0.2
206.07310	0.3
213.05365	0.2
217.04971	1.3
217.08516	0.2
219.06439	1.0
219.08289	0.1
229.04999	0.4
234.06828	0.6
245.09660	0.2
245.12395	0.1
246.32437	0.1
247.07411	0.2
248.08195	0.2
249.09123	0.3
253.08562	0.1
255.06598	0.2
261.05435	0.1
262.06332	0.5
263.06958	0.2
265.08002	0.1
273.05566	0.1
273.09064	0.3
276.07895	1.0
277.08456	0.7
279.06516	0.4
283.05939	0.9
290.05746	0.6
291.06470	0.2
291.09802	0.2
293.08084	1.8
294.08762	0.5
295.06006	0.4
295.09531	0.2
296.37918	0.1
297.07706	0.2
304.07343	0.5
305.08063	2.1
307.05988	5.1
308.06696	0.7
309.07422	0.4
309.10864	0.2
319.09637	13.3
319.26221	0.4
320.09991	0.5
321.07565	10.4
322.08322	8.9
322.12308	0.1
335.09000	0.2
336.06259	1.4
337.10669	100.0
337.21066	3.3
338.11020	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	337.0894
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
50.62325	3.7
56.96550	9.7
69.71291	6.8
69.71696	16.3
70.06590	7.5
73.91254	3.8
98.97617	19.9
110.09676	5.2
110.97569	8.0
111.10005	4.5
112.99127	9.5
116.98609	8.2
128.10718	15.9
128.98572	7.0
129.11047	14.2
131.00177	9.4
145.03519	5.0
154.82701	3.5
155.01917	3.7
156.10199	7.0
157.10539	7.8
174.11279	24.1
175.11626	28.0
189.00752	4.5
219.01779	5.5
237.02832	15.0
295.07040	14.7
319.02969	4.0
323.24478	3.8
337.08743	100.0
337.16962	6.5
355.07901	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65739	3.6
56.96564	43.9
63.11890	3.2
65.66401	4.0
69.03426	7.2
69.53706	8.6
69.54086	24.3
70.06580	16.0
70.98119	10.2
71.06904	4.1
79.73012	3.9
80.05704	3.7
85.02891	16.3
88.86394	3.4
88.99129	12.0
92.43201	3.4
97.02908	8.1
98.21481	8.0
98.97587	100.0
110.09656	3.5
110.97552	21.3
111.10010	3.4
112.99102	11.0
116.98622	43.7
119.01915	9.0
128.10701	22.2
128.98618	22.0
129.11089	24.3
131.00159	16.0
131.01874	7.9
134.99632	12.6
145.03419	12.0
146.99612	16.0
149.01196	10.2
156.10199	9.4
156.98032	5.8
157.03477	5.4
157.10526	10.3
158.99654	7.2
161.01282	3.5
161.02959	6.0
170.99606	12.9
173.01266	13.5
173.02866	7.8
174.11258	39.0
174.99144	29.2
175.02844	5.2
175.04558	5.6
175.08661	3.9
175.11629	49.2
175.31326	3.7
177.00731	11.9
185.02988	4.1
189.00760	5.1
191.02248	9.3
192.56534	3.6
193.00252	26.6
193.03752	3.7
205.00134	3.9
217.00174	20.6
217.02022	13.9
219.01736	11.8
229.01962	7.8
230.98015	4.2
233.03348	4.3
235.01222	33.8
235.03091	5.0
237.02870	20.2
244.99832	4.9
247.01007	5.3
255.03751	6.4
263.00839	7.4
265.02264	11.2
295.06989	14.1
337.08276	64.7
337.16971	17.3
355.09293	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	337.1067
Annotation	Dulciol D
Peak:m/z	Relative Intensity
51.68208	0.1
53.03961	0.1
55.01895	0.1
55.05515	0.1
65.03952	0.3
67.05521	0.2
68.99787	1.8
69.00117	0.1
69.03423	0.1
69.07086	0.1
69.40186	0.1
70.04345	0.1
70.04738	0.2
79.01881	0.1
79.05510	0.3
81.03445	0.1
81.07052	1.0
81.07456	0.1
83.08636	0.1
86.29800	0.1
91.05464	0.4
93.07071	0.1
95.04994	0.3
95.08621	0.2
97.06554	0.1
103.05518	0.1
104.26276	0.1
105.03383	0.1
105.07029	0.6
107.04963	0.1
107.08589	0.1
109.02911	0.3
109.06517	0.1
109.10149	0.1
111.04469	0.2
115.05457	0.2
117.07026	0.4
119.04940	0.8
119.08584	0.1
121.02859	8.7
121.10143	0.1
122.03180	0.1
123.11729	0.1
127.03925	0.1
131.04944	0.1
131.08598	0.1
133.10187	0.2
143.08444	0.1
145.02888	0.3
145.06480	1.8
145.10051	0.1
147.04443	0.1
147.11642	0.1
149.05965	0.1
149.13237	0.1
157.06494	0.2
158.03682	0.1
159.04459	0.2
160.05273	0.1
161.13332	0.1
163.03882	1.6
171.04457	0.1
173.06013	0.5
175.07545	0.4
176.04787	0.1
176.67694	0.1
177.05469	0.2
187.03835	0.1
189.05455	0.1
191.03445	0.3
191.07008	0.1
192.04178	0.2
195.06685	0.1
199.07562	0.2
201.05457	5.9
202.02573	0.1
202.05693	0.1
202.07751	0.1
203.03419	0.2
205.06380	0.1
213.05580	0.1
217.04932	0.7
217.08627	0.3
219.06445	0.8
221.09537	0.1
229.04948	0.4
234.06818	0.1
245.09659	0.2
247.07657	0.1
248.08241	0.2
249.09085	0.2
253.08664	0.2
255.06505	0.2
262.06104	0.1
263.07083	0.1
265.08743	0.1
267.06366	0.1
276.07855	0.8
277.08435	0.4
279.06509	0.4
283.05917	0.7
290.05762	0.1
291.09970	0.1
293.08084	1.5
294.05618	0.1
294.08884	0.2
295.05905	0.3
295.09628	0.2
297.07599	0.2
301.08658	0.1
303.06424	0.1
304.07242	0.4
305.08066	0.9
307.05991	5.2
308.06668	0.8
309.07474	0.4
309.10846	0.1
318.08850	0.1
319.09634	12.0
320.09927	0.7
321.07559	9.7
322.08319	7.9
323.08624	0.3
326.39496	0.1
335.09076	0.3
336.06247	1.4
337.10660	100.0
338.11005	4.4
338.15167	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	337.0806
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
53.27928	0.5
56.96309	0.6
56.96563	19.2
64.10423	0.4
67.28306	0.5
69.03437	1.2
70.06598	2.3
70.50824	0.5
70.98128	2.3
71.50868	0.6
72.08183	0.6
73.02948	0.6
74.97623	0.6
84.08213	0.5
84.96045	5.9
85.02927	2.1
87.04471	0.8
88.99155	0.9
97.02876	1.2
98.97583	55.7
102.96993	0.6
109.02860	0.5
110.09718	0.9
110.97570	14.8
112.99132	10.7
112.99844	0.8
115.00761	1.8
116.07179	0.5
116.98623	21.9
124.95466	0.7
124.99126	0.8
126.97050	0.9
127.00697	0.8
128.10704	4.2
128.98608	16.9
129.11046	3.3
131.00165	15.0
133.01733	5.7
134.99649	4.9
140.00233	1.2
140.98621	2.6
143.00156	5.4
144.98126	2.8
145.01740	1.6
146.99651	8.0
149.01237	5.3
151.02809	3.1
152.98607	4.7
156.10193	1.4
157.01773	1.5
157.10574	1.1
158.98323	1.0
158.99641	15.9
161.01225	5.9
162.99153	2.2
163.02829	1.1
165.00768	2.2
167.02272	0.8
170.96158	0.7
170.99652	7.6
173.01228	1.8
174.11247	6.4
174.99174	1.0
175.02794	6.7
175.08722	0.6
175.11623	7.0
177.00714	14.5
177.02205	1.0
177.04202	0.7
178.05022	0.5
179.02283	1.7
182.99623	0.7
187.02817	3.3
188.97102	2.3
189.00719	5.9
189.04393	0.7
191.02251	2.2
193.00233	1.2
193.03828	5.8
195.01755	1.3
199.02771	0.6
201.00694	4.5
202.98586	2.5
203.02208	0.7
205.00197	0.9
205.03877	3.2
206.98088	0.7
207.01784	2.7
211.02855	0.9
211.04906	1.7
217.00328	0.9
217.03828	3.6
219.01762	34.4
220.99727	1.3
223.01245	0.6
229.03792	1.6
230.98184	3.3
233.03194	0.8
235.01384	0.7
235.04892	2.9
237.02817	55.8
238.03188	1.0
239.02919	0.6
244.99745	2.1
248.99263	1.5
251.04427	0.5
255.03787	3.5
260.04367	1.2
263.00748	4.9
263.03436	0.8
275.04160	0.7
277.02533	2.0
277.05911	30.2
279.03931	0.5
281.01859	1.2
293.05374	1.2
295.06998	100.0
296.07300	3.0
301.03671	0.6
318.08688	4.5
319.09341	0.5
337.08035	39.7
337.16537	3.6
338.08386	1.4
354.57797	0.6
355.09238	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	337.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14603	1.6
56.05046	2.1
56.96565	100.0
57.32413	1.6
57.95249	1.5
60.04526	1.7
61.02922	1.8
62.57267	1.6
69.03421	4.0
70.06590	9.1
70.98122	23.7
71.04996	2.7
71.52040	2.2
71.95266	4.1
72.08154	4.9
72.96038	1.6
74.97619	2.8
76.11008	1.5
77.41251	1.6
81.03391	2.0
84.08142	7.1
84.96039	13.4
85.02908	7.4
86.09730	2.7
88.99173	15.2
91.05479	1.5
97.02921	3.9
98.97585	94.8
105.03387	5.4
107.00195	4.2
110.07174	2.3
110.09636	3.3
110.97580	27.5
110.98335	2.5
112.99158	8.1
115.00703	7.6
116.98622	54.1
124.95467	8.3
128.10692	3.7
128.97687	3.2
128.98605	40.5
129.10220	2.5
129.11104	2.2
131.00180	10.5
133.01740	11.0
134.99663	21.1
139.84779	1.7
140.00172	2.6
140.98586	4.7
142.96542	8.0
143.00146	5.4
144.98044	4.3
145.01736	3.3
146.99651	40.7
148.07574	3.2
149.01228	7.2
151.02808	4.2
152.98611	4.8
156.98122	3.1
158.99648	15.9
160.97591	4.8
161.01189	8.6
163.02785	3.8
165.00722	26.1
170.96056	6.8
170.99658	7.9
174.11258	6.3
174.99191	9.2
175.02765	6.7
175.08693	12.9
175.11626	10.4
177.00722	15.8
177.04373	2.0
183.01758	2.2
184.97565	7.1
186.99228	2.1
188.97095	25.5
189.00714	21.2
190.98611	6.0
191.02296	3.5
193.00224	9.6
193.03844	4.9
201.00679	4.2
202.98666	15.5
205.00218	10.7
205.03943	1.7
206.98149	16.0
207.01683	16.2
212.74297	1.7
212.97084	4.0
214.98766	2.6
217.00224	8.0
217.03876	4.1
219.01797	20.8
220.99719	10.2
223.01299	8.5
223.04561	3.5
224.99152	3.4
225.07896	2.5
229.03790	2.5
230.98138	31.8
232.99637	4.1
235.01245	8.3
237.02795	37.5
239.00700	2.6
244.99670	18.7
248.99167	15.8
249.02834	4.2
251.04352	5.1
251.09554	12.4
253.99907	2.0
257.03860	2.2
259.06223	2.4
263.00754	67.4
267.03830	2.3
269.05591	2.6
269.10605	29.9
277.02286	23.5
277.05960	13.1
281.01660	10.2
281.84842	1.8
286.02362	5.8
293.10718	3.7
295.03433	7.3
295.06729	51.3
297.10150	1.8
305.01981	3.8
311.11646	4.9
313.09637	10.0
318.08713	3.6
332.10388	2.3
337.04410	3.5
337.07935	21.6
337.14066	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	336.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
56.96566	9.3
57.03426	1.3
59.04987	1.0
61.02929	2.5
61.03200	0.5
69.03434	4.5
70.06208	0.9
70.06588	17.7
70.98132	0.6
71.04996	0.6
71.52165	0.8
73.02921	1.0
81.03416	1.1
84.08159	0.6
84.96020	2.2
85.02908	10.0
86.09648	0.6
87.04481	1.2
91.03963	0.5
97.02897	4.0
98.97582	26.0
99.04436	0.7
109.02850	0.6
110.09677	10.8
110.97564	6.9
112.98532	0.5
112.99144	5.3
116.97855	0.5
116.98624	8.5
127.03910	2.3
128.10713	44.4
128.98611	6.7
131.00169	5.4
133.01729	2.2
134.99631	2.3
140.98602	0.8
142.01521	0.6
143.00168	1.6
144.10080	0.5
144.98125	0.5
145.01758	0.7
145.04906	1.3
146.99643	3.3
149.01237	2.6
149.70027	0.5
151.02707	0.9
152.98558	1.3
156.10201	20.7
157.01692	0.7
158.99651	4.6
161.01245	2.6
165.00717	0.7
170.99643	2.3
173.01210	1.3
174.11252	100.0
175.02808	2.8
175.11598	1.3
177.00713	4.8
187.02786	1.1
188.97096	1.4
189.00746	2.2
190.19064	0.5
191.02284	1.1
193.03819	2.2
199.02815	0.5
201.00679	1.0
202.98624	0.7
205.03810	1.0
206.98199	0.8
207.01697	0.6
211.04880	0.8
217.03761	1.0
219.01746	10.6
220.02116	0.6
230.98151	1.3
235.04858	0.8
237.02821	15.9
238.03195	0.6
244.99588	0.6
255.03864	1.2
260.04401	0.6
263.00769	2.3
277.02911	1.0
277.05920	6.4
281.05261	0.6
290.15863	0.5
293.05487	0.9
294.05704	1.1
295.07007	28.2
318.08646	1.4
336.16559	13.0
337.08014	10.6
355.09186	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01392	0.0
50.01598	0.1
51.02380	0.1
53.00290	0.0
53.03942	0.9
55.01860	0.1
55.05263	0.1
55.05509	0.9
55.62202	0.0
56.05030	0.1
58.06593	0.2
58.56368	0.0
63.85662	0.0
70.06576	0.4
70.44379	0.1
70.44775	0.1
72.08147	0.3
77.03890	0.9
79.05489	1.3
81.03409	0.1
84.08141	2.8
91.05464	0.6
95.04966	2.2
98.06016	0.4
104.04418	0.0
104.04979	2.4
105.03383	100.0
106.03709	2.1
106.04799	0.1
110.09702	0.2
112.11231	2.1
118.06540	0.6
122.06022	2.0
123.06340	0.1
130.12311	0.1
134.06001	4.2
135.06360	0.1
152.07187	0.1
154.82120	0.1
159.09235	0.2
160.11229	0.1
161.10725	44.4
162.09123	10.8
162.11081	1.2
163.09499	0.3
173.10677	0.6
174.09167	0.1
175.12292	12.9
176.10689	13.6
177.11098	0.4
187.12224	0.1
201.13753	0.1
205.13370	0.2
215.15428	0.4
231.14830	0.3
233.16464	2.5
234.16867	0.1
265.13513	0.1
336.20657	88.8
337.21271	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	336.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
56.96565	1.4
57.03425	1.2
57.46772	0.5
59.04998	0.8
61.02929	1.3
69.03429	3.7
70.06591	18.0
70.42139	1.5
71.04959	0.6
73.02922	1.1
81.03414	1.4
84.58559	0.5
85.02907	11.0
87.04474	1.3
91.03970	0.7
95.31223	0.5
97.02889	3.7
98.97593	2.7
99.04456	0.6
105.55692	0.4
109.02880	1.7
110.09683	14.5
110.48466	0.5
116.98629	1.3
119.01998	0.5
127.03882	2.2
128.10716	52.6
128.98659	0.7
129.11082	0.8
135.91656	0.5
141.01341	0.4
145.03461	0.8
145.04961	1.2
146.99644	0.8
151.35323	0.4
156.10202	23.9
157.10553	0.8
158.99747	0.6
174.11258	100.0
175.11615	2.0
177.00662	0.6
177.66095	0.7
217.00180	0.6
219.01826	0.8
224.63245	0.5
237.02846	1.2
263.00824	0.8
295.06955	1.0
336.07736	0.7
336.12454	1.1
336.16504	16.8
337.08710	4.9
337.17017	0.6
352.34821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
53.59233	0.4
55.01866	1.3
55.05502	1.4
56.05021	1.6
56.96575	0.4
57.03428	1.2
60.04517	1.1
60.05641	0.4
61.02922	0.8
67.05495	0.7
68.99796	0.5
69.03429	7.2
69.07055	0.7
70.02953	0.4
70.06593	16.2
71.04156	0.6
71.04500	0.8
71.04968	1.0
71.06926	0.4
72.08155	5.0
73.02923	0.6
74.06095	0.5
77.59803	0.4
79.05499	0.6
81.03426	4.0
82.06519	0.4
83.04974	0.5
84.04492	1.9
84.08141	6.4
85.02901	18.0
86.06087	0.4
86.09699	3.0
87.00825	4.5
88.03983	0.5
88.07629	100.0
91.05479	1.2
95.04964	0.5
96.04499	2.3
97.02893	4.1
98.06014	0.5
99.04455	2.2
103.04002	0.5
105.01871	4.1
106.06567	0.5
108.04472	0.9
108.05209	0.4
109.02880	4.3
110.06029	0.6
110.07170	1.0
110.09702	0.4
111.04475	0.4
112.07598	0.4
112.08752	0.9
114.05526	0.6
115.03951	0.7
116.07069	1.0
118.06490	0.4
120.08114	3.6
121.02882	0.5
123.04400	0.4
124.03972	0.4
126.05524	0.6
127.03916	9.7
127.08676	0.6
128.10727	1.1
129.01797	0.4
129.10254	1.9
130.05031	0.5
130.08664	0.5
134.09660	0.4
136.07574	1.8
140.07076	0.5
145.04945	3.1
146.05994	0.8
147.02936	0.4
147.04414	0.7
150.05467	0.6
152.07076	0.6
153.05449	0.4
155.08272	0.4
156.10185	1.4
157.08646	0.8
158.06032	0.4
159.02911	1.3
161.02904	0.5
162.05446	0.7
162.09067	0.4
164.07024	0.4
168.06584	0.5
172.07555	0.7
172.10825	0.6
174.05560	0.6
174.09097	1.1
174.11275	4.7
175.03915	0.6
186.09207	0.5
189.04059	1.3
190.08556	0.9
200.07083	0.5
201.07751	0.4
202.08688	1.0
204.04803	1.1
212.82845	0.4
214.08694	0.6
215.09259	0.4
216.10167	0.8
216.12154	0.9
218.08159	1.0
226.10539	0.4
228.08527	0.5
230.08052	0.6
230.10175	1.1
231.04944	2.4
232.09618	0.8
242.08157	0.5
243.11157	0.5
244.09683	1.4
244.11678	1.4
246.07530	0.9
246.09743	0.8
260.09311	1.0
272.08655	0.6
272.11334	3.5
277.71240	0.4
278.10114	0.4
288.10620	1.3
290.09991	4.9
300.10721	1.2
306.09351	2.4
318.06183	0.5
318.11722	1.4
327.59372	0.4
336.07047	1.4
336.13000	1.0
336.16461	1.2
336.20282	2.0
337.10785	0.5
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
51.82677	1.6
53.03942	5.3
55.05510	23.4
55.17779	1.8
57.03196	2.3
57.03439	27.3
57.07067	3.2
57.14796	1.7
57.39345	1.9
57.82674	1.8
65.03934	3.2
67.05506	100.0
69.07070	25.8
71.04984	2.3
71.39508	3.1
79.05493	46.3
81.07056	92.7
83.04951	2.3
83.08619	11.6
91.05491	26.7
93.07047	44.9
95.04971	5.1
95.08609	66.4
97.10183	4.7
105.07024	18.6
107.08605	22.7
109.06485	3.4
109.10156	26.2
111.08032	1.9
117.07010	2.5
119.08583	10.4
121.10165	19.2
123.11696	8.2
131.08578	9.7
133.10094	8.2
135.11684	12.2
145.10083	5.4
147.11665	4.7
149.13251	7.6
159.11649	2.8
161.13281	4.8
163.14919	3.2
173.13225	4.0
175.14772	2.4
191.60110	1.9
196.60938	1.9
202.98700	2.1
261.22098	5.9
326.42792	1.8
335.25793	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.68209	3.8
53.03942	7.3
55.05510	25.0
55.13487	3.9
57.03415	10.6
57.07074	6.3
58.92265	4.6
67.05177	6.5
67.05507	83.4
69.07069	20.0
70.11108	19.4
71.20616	4.1
79.05497	22.6
81.07060	100.0
83.04956	4.6
83.08619	11.4
91.05468	10.8
92.95856	4.2
93.07038	18.4
95.07993	4.9
95.08610	99.2
97.10168	12.3
102.22266	3.9
105.07025	9.2
107.08619	19.4
109.06585	4.7
109.10163	59.3
111.11684	5.1
119.08562	13.1
121.10134	12.2
123.08053	5.1
123.11698	29.5
127.03880	5.0
127.66764	4.3
131.08536	11.1
135.11711	7.5
137.13234	6.6
144.26505	4.0
145.10095	7.2
147.11725	4.9
161.13228	7.5
175.14748	5.4
243.02359	4.4
271.24072	6.3
289.25272	23.2
291.26782	13.0
299.23737	5.1
317.24692	51.3
327.78616	4.2
335.25812	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03949	4.3
55.05516	31.9
55.88513	2.2
57.03439	27.2
57.07068	2.5
65.03943	5.2
67.05505	100.0
69.07068	19.0
71.04990	2.9
71.27786	5.0
72.78590	2.1
76.32531	2.5
79.05497	46.8
79.05933	1.6
81.03385	2.7
81.07058	85.5
83.08614	8.7
91.05487	23.1
93.07041	55.4
95.04959	6.4
95.08609	72.1
95.11629	2.3
97.06519	4.7
105.03423	2.9
105.07018	17.0
107.08596	24.3
109.10146	23.2
117.07010	5.5
119.08574	13.2
121.10152	17.3
123.08054	2.5
123.11693	9.4
131.08562	7.6
133.10112	6.0
135.11711	14.4
145.10095	7.0
147.11690	3.4
149.13248	9.2
159.11731	4.5
161.13290	2.5
163.14822	2.8
173.13231	3.5
261.22165	2.6
317.53210	2.5
335.25803	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	CP47497 C7-Hydroxy metabolite
Peak:m/z	Relative Intensity
53.03939	5.8
55.01873	9.1
55.05514	19.1
57.03441	9.3
57.07077	11.0
67.05504	13.7
67.69348	1.2
69.07073	30.1
69.54616	7.5
71.08624	6.8
79.05478	5.4
79.46928	1.2
81.03419	12.7
81.07061	19.6
83.08624	21.1
85.02858	1.4
85.10181	3.4
87.59160	1.1
91.05454	2.6
93.07045	5.5
95.04954	2.0
95.08611	19.7
97.10186	14.8
97.75098	1.0
98.21528	1.3
105.07000	3.6
106.32499	1.2
107.08604	6.7
107.48737	1.1
109.02882	19.1
109.06445	1.5
109.10159	10.7
111.08096	1.5
111.11716	7.5
113.05984	1.3
115.03943	12.0
119.08593	4.3
121.10150	4.3
123.04430	3.6
123.08108	1.3
123.11687	5.5
125.13243	5.1
127.03919	100.0
127.37778	1.1
128.10742	1.8
131.08597	2.8
133.10147	5.7
135.11685	2.1
137.09596	1.4
137.13309	2.0
139.14793	2.0
141.05461	6.4
143.08559	1.8
145.04883	1.6
145.10107	2.4
147.11662	1.9
153.05603	1.4
155.07021	2.9
157.10136	1.7
159.11707	2.3
161.13335	1.3
164.60460	1.8
168.06628	1.6
169.08662	5.6
169.09988	1.8
171.11659	1.5
173.13258	1.8
174.11224	2.0
175.14830	1.6
183.10219	7.4
183.11557	1.5
195.10181	1.7
197.11697	8.7
197.13239	2.2
209.11662	2.3
209.15228	1.3
211.13249	7.7
221.22928	1.5
223.13292	4.3
225.14847	8.1
237.14813	4.2
239.16350	7.5
251.16458	3.4
253.18021	3.9
265.17917	5.2
267.19604	1.5
279.19595	3.8
335.19931	1.9
335.25925	27.5
336.20648	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03937	3.1
55.01866	1.4
55.05511	26.4
55.28230	1.0
56.00325	1.0
57.03439	27.1
57.07059	1.8
58.64724	1.0
65.03931	4.0
67.05504	88.8
69.07072	21.6
69.97205	2.9
69.97604	1.8
71.04972	3.5
79.05491	44.3
81.07054	75.1
83.04975	2.0
83.08630	8.1
85.06532	2.2
85.45321	1.1
90.79654	1.0
91.05476	22.2
93.07044	49.6
95.04959	4.1
95.08606	59.9
95.80023	1.0
96.08939	1.4
97.06526	2.6
97.10187	2.6
98.98491	1.7
103.05483	1.1
105.07032	12.2
107.08598	23.5
109.06477	2.4
109.09467	1.9
109.10154	23.8
111.08055	1.2
117.07000	3.7
119.08578	12.0
121.10145	18.3
122.13862	1.0
123.11736	6.6
131.08569	7.0
133.10138	5.5
135.11699	9.5
137.13266	2.6
145.10110	3.3
147.11661	4.7
149.13251	6.0
159.11703	3.1
161.13261	4.4
161.14648	0.9
163.14807	1.4
173.13278	3.1
175.14790	2.2
213.64833	1.0
261.22147	3.0
265.94965	1.2
276.30722	1.1
318.13840	1.1
324.40668	1.3
335.25790	100.0
336.26151	6.0
343.77679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	CP47497 C7-Hydroxy metabolite
Peak:m/z	Relative Intensity
52.84119	1.3
55.05518	15.2
56.13307	1.2
56.17467	1.4
57.03434	10.3
57.07056	5.2
65.03933	2.7
67.05505	75.5
69.07069	15.7
69.92799	7.3
71.08620	3.2
74.93624	1.4
79.05064	2.7
79.05486	22.0
81.03399	2.0
81.07056	100.0
83.04964	1.9
83.08620	9.7
85.06509	2.3
91.05479	12.0
93.06496	2.0
93.07043	26.2
95.04956	4.7
95.08607	95.1
97.06528	4.8
97.10156	6.3
99.08106	1.9
105.07037	12.2
107.08597	19.4
109.06501	4.9
109.10154	43.6
111.04412	1.7
111.11742	2.7
115.03940	2.1
117.07006	5.0
119.08599	10.1
121.06524	1.4
121.10125	14.6
123.08047	4.4
123.11724	25.4
127.03906	8.9
129.05476	1.6
131.08559	11.1
133.10141	9.0
133.20316	1.5
135.08127	1.6
135.11681	9.3
137.09602	3.9
137.13240	12.2
139.07458	1.9
143.08591	1.8
145.10118	10.0
147.11673	8.0
149.13249	5.1
151.14778	3.5
155.10658	4.9
157.10080	1.4
159.11691	6.6
161.13290	3.9
163.11147	1.9
163.14807	2.0
165.16335	2.2
171.10248	2.1
173.13286	4.9
175.14848	2.5
177.12781	1.7
177.16402	3.4
179.10616	1.5
179.14223	3.6
185.11577	1.4
201.16502	2.0
209.15421	1.5
217.15852	2.1
219.13802	2.0
221.15446	2.1
243.21057	3.5
247.24248	1.8
261.22116	2.3
271.24207	6.4
279.19492	5.0
289.25388	6.8
291.26855	4.5
299.23639	3.4
317.24768	22.5
318.25015	1.8
335.25793	55.7
336.26321	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	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03935	3.5
55.05510	24.0
57.03438	28.8
57.07057	3.1
65.03929	4.2
67.05504	100.0
69.03441	1.1
69.06737	1.3
69.07069	22.6
71.04979	2.3
77.03914	1.1
79.05494	51.5
81.07053	98.7
83.04980	1.6
83.08604	8.7
85.06535	3.0
91.05478	27.7
93.07043	62.5
95.04956	4.5
95.08603	72.8
97.06531	3.5
97.10139	3.0
98.20788	1.7
105.04490	1.6
105.07029	15.1
106.07420	1.2
107.08588	30.5
109.06505	1.6
109.10148	28.3
111.08106	1.2
115.43642	1.1
117.07006	4.9
119.08581	14.0
121.10140	23.7
123.08095	1.4
123.11700	9.8
131.08571	11.1
133.10146	9.7
135.11676	14.4
137.09607	2.3
137.13255	2.8
140.91951	1.1
145.10092	8.7
147.11676	8.0
149.13239	7.3
159.11688	5.5
161.13254	4.3
163.14841	3.1
173.13263	4.5
175.14859	2.6
177.16428	1.4
187.14847	3.2
189.16472	1.2
201.16321	1.4
243.21124	5.0
261.22141	8.8
263.02704	1.3
317.24854	2.8
335.25803	95.3
336.26089	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	335.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.7
55.05520	0.7
57.07062	1.3
67.05490	2.0
69.03439	0.8
69.07072	1.2
69.92992	1.9
69.93407	1.1
70.06598	3.0
71.04975	0.5
79.05497	1.0
81.03413	1.1
81.07057	3.2
83.04916	0.5
83.08650	0.6
86.09707	36.7
88.07624	3.2
89.07936	1.1
91.05479	1.6
93.07043	3.0
95.04989	1.3
95.08619	3.1
99.04463	0.9
102.09164	1.2
103.05482	3.3
103.09539	0.8
105.03323	0.7
105.07040	1.8
107.08588	2.3
109.02892	0.9
109.10159	2.1
111.04449	0.6
119.08601	1.6
120.08106	100.0
121.06502	4.5
121.08424	1.4
121.10143	1.1
123.08079	0.8
123.11725	0.9
127.03954	0.8
128.10710	13.1
131.04919	1.7
131.08586	0.6
133.10158	1.3
135.08015	0.9
135.11694	1.0
145.10139	1.2
147.04430	0.6
147.11708	0.8
156.10213	3.5
157.10211	0.5
159.08076	0.9
159.11702	0.6
163.07532	2.9
167.07018	3.4
169.10123	0.7
173.05975	1.0
174.11305	0.7
180.10196	54.0
181.10506	0.9
197.05913	0.8
211.43689	0.6
219.20654	0.5
228.23270	2.2
229.23558	7.0
317.28622	1.1
335.09268	2.2
335.13031	1.1
335.26187	0.7
335.29858	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	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.05513	0.6
57.03440	0.5
65.03946	3.5
67.05505	4.8
67.44183	0.5
69.03436	0.9
69.07068	100.0
69.13475	0.5
69.45142	1.1
69.45547	3.7
70.07402	1.4
72.17592	0.6
79.05505	2.4
80.05008	1.2
81.03442	0.8
81.07053	6.4
82.06590	0.6
91.05495	1.3
92.04998	3.8
93.05803	0.8
93.07052	2.2
94.06572	3.3
95.04979	1.5
95.08583	1.0
96.08141	0.9
97.06534	15.5
97.07157	1.0
104.05016	0.6
105.07034	1.2
107.08607	1.1
108.04487	1.5
108.08152	0.9
109.02848	0.6
109.05252	0.6
109.06512	1.7
109.10157	0.8
117.07033	0.8
119.03671	0.8
120.04498	0.7
121.06526	0.8
122.06019	7.5
123.11709	0.6
124.07564	2.8
125.06006	1.9
126.05488	0.5
130.06581	0.8
131.07373	1.1
131.08549	1.1
132.08116	0.8
137.06003	3.2
137.09605	0.7
138.05478	5.4
140.07071	6.3
141.07849	0.7
144.08069	3.3
145.06538	0.6
145.08870	3.7
145.10085	1.3
146.05963	0.6
146.09650	4.6
147.06825	1.3
148.03923	2.3
150.05501	78.7
151.05846	1.2
157.08890	3.2
157.10039	0.6
158.09616	0.9
160.07623	0.8
160.11200	0.8
161.08340	3.2
162.09134	3.0
164.03438	1.9
165.04187	1.1
166.05005	32.8
167.07185	1.0
168.06624	1.7
168.08046	0.7
170.09688	0.7
172.07590	2.4
172.11223	4.3
173.08379	2.5
173.09702	1.0
174.09174	1.8
174.12793	5.4
176.03415	9.8
176.04794	0.9
178.04947	2.9
182.04475	1.1
182.09689	0.9
183.06819	0.9
185.06967	0.8
185.08383	1.6
186.07645	1.4
186.09186	1.5
188.10715	1.4
189.09117	0.6
190.08629	1.1
190.12265	3.9
192.02922	0.9
194.04518	3.5
198.07863	1.7
199.06364	0.7
200.07101	1.7
200.10751	6.9
202.12276	7.6
204.10330	0.7
206.08018	0.7
206.11736	0.8
207.06479	0.5
213.10272	1.5
214.08728	0.7
216.10243	4.8
218.08363	1.2
218.11757	31.1
219.12167	0.7
226.08665	1.1
227.11778	0.7
228.10204	15.4
228.12349	1.1
229.13414	1.7
234.11183	3.3
241.09879	0.8
242.10577	0.6
243.11337	1.1
244.09656	1.7
245.12842	2.0
246.11252	26.5
253.09683	0.8
254.08119	0.8
255.11378	1.1
256.09702	1.5
257.09302	1.3
261.08585	0.8
261.12512	1.3
262.10626	0.8
270.45520	0.6
271.10754	4.9
272.09216	4.1
273.12314	3.8
274.10715	3.1
287.10236	8.7
289.11807	11.9
290.10184	1.9
299.10220	5.1
317.11310	29.2
318.09604	0.6
335.12360	20.5
336.12805	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65781	0.6
53.03933	0.7
55.01861	0.9
56.05014	0.7
58.59921	0.6
59.07798	0.5
68.04990	0.6
69.07058	1.0
70.06585	3.3
71.17466	1.0
72.08128	0.8
79.05488	0.9
81.03395	0.7
84.08107	1.2
86.09671	0.9
94.06561	0.6
95.04951	1.1
96.04468	1.5
105.03404	0.9
108.04462	1.6
109.02853	0.7
110.05997	1.3
116.07021	0.6
118.06547	0.7
118.93271	0.6
120.04410	1.0
122.05995	3.3
124.03982	1.0
124.07579	1.1
128.06212	1.1
129.07008	1.1
132.08035	0.8
136.07550	5.1
138.05501	0.6
143.08501	0.7
144.08046	2.7
145.08705	0.6
146.06024	0.7
146.08379	1.0
146.09644	1.1
147.09087	0.9
148.03871	1.2
149.10931	0.7
150.05539	0.9
154.06616	0.8
155.07240	1.3
156.08076	2.8
157.08859	1.3
158.06026	1.4
158.08412	1.1
158.09636	2.8
160.06424	0.7
160.07559	3.2
160.09831	0.6
161.10728	1.1
162.05557	0.9
162.09148	0.8
164.07018	2.2
167.03343	1.3
168.08022	1.1
170.09654	3.5
172.07570	8.9
172.09921	1.9
172.11212	1.4
173.07077	0.8
173.10721	3.4
174.07858	1.4
174.09138	2.8
175.08679	4.9
182.08214	1.0
183.06792	1.5
183.09149	0.8
184.06050	0.9
184.07578	9.3
185.07016	0.8
186.07922	1.1
186.09232	5.9
187.08652	2.0
187.12289	4.4
188.07036	0.8
188.10748	1.1
189.07813	0.7
189.10240	4.3
196.07547	0.9
197.08357	1.1
197.10675	0.8
198.09149	12.0
199.08652	4.3
200.07056	11.4
200.09364	4.7
200.10796	2.1
201.10197	11.9
202.08626	1.5
203.08138	1.1
205.09642	0.7
208.50719	0.6
210.03136	0.6
211.08629	3.4
212.07060	3.2
213.06595	2.0
213.10194	1.4
214.07254	3.1
214.08702	3.3
214.10641	1.2
215.08194	2.3
215.11774	16.8
216.08727	1.1
216.10481	0.9
217.09676	7.3
225.10211	3.0
226.08665	5.6
227.08127	9.0
228.06558	3.4
228.08960	2.7
229.09698	33.5
230.10332	1.5
231.11400	0.9
239.08264	2.9
241.09683	2.7
242.08054	1.9
242.10519	3.1
243.11285	34.5
244.11774	0.8
245.09201	31.4
246.09558	0.8
247.10860	0.7
253.09705	9.0
254.08113	1.5
256.08572	0.7
257.09225	12.5
258.09985	2.5
259.10852	6.0
261.12247	1.4
269.09055	0.7
271.10760	100.0
272.11276	3.5
273.12344	3.2
275.10181	0.7
276.11057	0.6
281.09201	12.6
287.10226	31.1
288.10690	3.0
289.11810	14.4
299.10257	26.8
300.10861	0.7
304.10315	0.9
305.11307	9.8
307.12842	1.6
317.11316	21.2
318.05746	0.7
318.11694	0.9
335.12363	10.0
335.16080	1.3
336.07053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01859	3.5
55.05506	3.5
58.98333	2.1
65.03938	3.6
67.05502	12.7
69.03413	6.1
69.07075	10.5
69.87238	5.5
69.87650	4.6
70.06578	3.9
71.05008	2.6
72.08133	2.3
79.05495	5.1
81.03425	12.1
81.07043	6.7
83.04963	8.2
85.02863	2.0
85.06538	5.6
91.05496	12.3
91.05996	2.4
93.07041	6.1
95.04958	4.6
95.08624	5.7
97.02879	3.1
97.06531	3.5
99.04456	2.6
105.03413	3.2
105.07027	8.2
107.04989	3.4
107.08588	5.8
109.02880	8.6
109.06517	2.3
109.10149	5.5
111.04447	4.2
117.07020	2.2
119.04969	3.1
119.08607	4.7
120.02063	6.2
121.06452	3.8
121.10154	4.6
123.04482	5.3
123.08054	2.1
127.03934	4.8
128.06210	2.0
131.04922	3.9
131.08569	5.2
133.06427	2.5
133.10150	3.0
135.04442	5.1
135.11641	2.7
145.06512	3.7
145.10170	4.5
147.04425	7.8
147.11694	2.4
150.05528	4.7
151.11160	2.7
159.07993	2.2
160.01611	4.7
161.05995	3.4
161.09546	2.8
161.13008	2.4
162.03168	2.7
163.03899	8.2
166.04947	2.7
167.07027	67.1
169.04919	4.5
172.05124	2.3
175.03905	36.0
187.07562	6.6
188.01054	6.9
203.03384	18.1
207.06474	10.9
211.07469	2.5
214.08679	6.5
215.03384	3.7
217.01285	3.0
218.02106	25.6
218.11755	2.7
231.02879	100.0
232.07195	2.9
233.04449	65.9
233.08170	4.6
234.04897	2.7
237.07504	4.1
243.88268	2.3
247.09601	5.1
271.09857	3.9
275.09149	2.5
289.10901	5.7
299.09280	8.3
308.99918	2.5
317.10196	17.8
317.21222	4.3
320.06635	2.4
333.67770	2.1
335.09222	7.5
335.24045	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	335.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33315	0.8
54.68953	0.8
55.01864	0.9
55.05503	2.3
57.07064	1.7
67.05505	1.5
69.03442	1.1
70.06598	7.4
71.06924	1.6
71.29223	1.9
78.04704	2.3
79.03250	0.8
79.05495	1.8
81.03388	1.3
81.07068	1.1
83.04980	5.3
84.08157	0.9
86.09697	2.0
88.07633	1.7
91.05474	4.4
93.03406	0.7
95.04977	3.2
95.08591	0.8
98.43402	0.8
99.04462	2.2
102.09156	0.8
105.07015	2.5
106.04175	1.1
107.04901	1.3
111.04449	2.9
115.05438	2.3
117.07042	1.8
119.04953	5.5
119.08567	1.6
123.04440	8.5
124.05223	1.9
125.88042	0.8
129.06989	0.8
131.04930	2.6
131.08553	2.5
132.10191	2.7
133.06520	2.1
133.10509	0.8
137.06015	1.1
141.07036	2.7
144.05748	1.8
145.06488	2.4
146.11774	2.9
147.04407	5.0
147.12135	1.2
151.03922	2.5
152.04672	1.4
155.08527	0.8
157.06416	1.2
159.08057	2.6
159.22945	0.9
161.05984	4.2
167.07039	100.0
168.05684	0.9
168.07364	1.6
169.05008	8.6
169.06404	1.7
171.04422	1.2
172.05278	1.8
173.06015	3.2
173.09659	1.3
175.03897	7.4
177.05406	1.1
181.06503	0.9
182.07362	1.0
183.08089	1.8
185.06114	1.2
186.06831	1.2
187.07567	6.5
189.05493	1.5
191.07068	2.6
197.06047	1.2
202.24548	0.8
203.09848	0.9
205.04958	1.9
205.08687	1.0
207.06525	13.2
211.07594	1.7
213.05533	1.2
213.09164	1.5
214.06221	1.6
215.07057	3.6
215.09677	1.1
216.04259	1.4
217.04974	0.8
219.06557	1.6
219.10205	2.1
221.08130	1.9
228.23169	1.8
229.08643	3.1
229.23572	3.0
231.06540	2.7
232.07352	3.0
233.08122	6.8
237.07591	6.8
243.10178	0.8
247.09653	10.1
249.07587	1.9
255.13672	0.8
256.07297	2.1
257.08127	2.6
257.14481	3.2
259.05988	1.9
261.11139	1.3
263.11743	0.8
271.09631	4.3
272.25864	5.7
273.11227	1.9
273.26178	9.4
274.08490	1.0
275.09128	3.6
275.15387	3.6
277.07111	3.2
284.06668	0.9
289.10678	6.4
293.10226	2.4
299.09183	2.9
317.10245	17.6
317.16364	6.1
318.10693	1.1
334.29553	11.5
335.11539	4.3
335.17676	3.2
335.29874	27.4
337.38510	0.9
343.57510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.1
57.07056	2.0
65.03941	3.2
65.80359	1.9
67.05504	17.0
69.03407	2.2
69.07066	2.6
71.53172	2.8
79.05482	4.3
80.49286	1.8
81.03422	3.1
81.07057	9.1
83.04965	3.4
85.02882	2.4
85.06531	10.0
91.05473	10.3
93.07030	5.5
95.04991	2.6
95.08586	6.7
105.03386	3.0
105.07021	6.2
107.08611	5.1
109.02863	8.3
109.10142	3.6
117.06952	2.4
119.04965	3.7
119.08573	3.5
121.06478	2.6
121.10172	3.1
123.11709	2.4
127.03919	3.9
131.08568	3.2
133.10123	4.7
137.09616	3.9
143.08578	3.4
145.02858	2.8
147.04417	4.7
147.11618	2.6
159.04312	2.9
160.01550	2.8
161.06004	2.2
162.03069	3.5
167.07045	4.1
173.05927	2.0
175.03931	26.9
188.01044	7.4
191.07164	2.1
203.03348	17.0
207.06558	2.2
213.16423	2.6
215.03378	3.6
217.01245	2.6
218.02078	23.8
230.02167	2.6
231.02887	100.0
232.03200	2.5
233.04431	71.2
294.42462	2.3
299.09161	5.6
317.10327	5.8
317.21094	2.2
335.14734	3.3
335.18518	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96301	7.0
56.96568	100.0
58.58975	5.8
61.00389	4.8
61.02914	8.2
64.28073	5.2
69.03435	15.1
70.06590	15.3
75.78429	4.4
84.08138	12.1
84.96041	14.9
85.02894	18.4
95.04962	9.8
97.02909	13.5
98.97588	53.4
101.00937	6.0
105.03404	56.6
106.03709	10.5
110.97582	10.4
116.98643	36.9
119.01917	15.3
123.05529	23.2
124.99189	5.2
127.03943	5.5
128.10703	9.3
128.98610	20.6
129.10257	9.0
131.00162	6.6
134.99681	13.6
143.01863	7.6
144.98123	15.6
146.99696	11.7
147.07791	6.0
152.96913	5.2
158.99702	11.3
161.01169	6.1
161.03003	9.1
162.99121	9.2
172.97662	5.7
173.01320	10.2
173.02864	4.8
173.04816	5.5
174.11305	7.2
177.00725	18.0
179.00336	6.1
189.00711	8.1
190.98741	7.5
191.02219	14.7
197.01259	31.6
201.00700	9.6
205.00192	13.4
207.01697	7.1
215.02145	26.6
215.04097	5.8
219.01846	16.3
223.01270	23.2
233.03250	11.2
237.02867	21.3
239.02409	6.2
247.01155	6.3
248.99194	7.0
261.09723	5.7
263.04239	6.4
267.00180	10.7
293.05280	7.6
293.10751	7.4
317.02045	12.1
335.06775	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.3
53.03939	2.7
54.57779	0.4
57.07076	1.8
57.47863	0.5
60.04527	9.0
62.78172	0.4
69.03416	1.5
70.06591	1.2
72.08148	2.9
77.03943	1.3
79.05500	3.8
81.03422	5.2
84.08162	0.7
85.06548	2.8
86.06072	0.9
95.04980	4.1
97.02891	2.3
99.04408	0.6
103.05467	24.0
105.03389	100.0
105.06999	1.2
106.06550	72.1
107.04949	7.9
107.06876	1.0
109.02877	15.9
112.11189	0.6
114.09186	0.9
117.07003	0.7
117.43413	0.6
127.03944	3.5
129.06993	0.4
131.04926	94.8
132.05275	1.9
134.06000	3.2
136.06169	2.5
141.07053	0.6
142.12268	8.5
148.07567	43.6
149.05946	0.9
149.07979	0.7
156.13843	3.4
162.09135	44.4
176.10812	0.5
177.92317	0.4
187.07574	0.4
190.08629	20.7
191.08917	0.4
208.09729	1.9
233.16458	0.6
257.08017	2.4
275.09241	0.6
317.22195	0.5
334.18634	1.2
334.24875	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	8.5
56.05039	2.0
57.03435	2.5
61.02924	3.4
67.05492	1.3
69.03429	7.9
69.07063	1.8
69.76526	5.0
70.06579	4.3
71.04977	4.1
72.08154	10.8
73.02914	1.3
74.02010	1.1
74.06071	2.2
79.05486	2.9
81.03423	1.9
81.07052	19.2
83.04938	1.2
83.08623	5.4
84.04520	2.6
84.08144	7.3
85.02907	14.3
85.06548	3.6
86.09707	8.9
91.05486	2.0
93.07042	1.7
95.04982	1.3
96.04530	0.9
97.02906	4.9
97.05281	1.0
97.06543	0.9
98.06051	1.9
98.09689	3.6
98.21648	0.8
98.98460	1.3
99.04477	1.0
99.08115	1.8
105.03392	2.1
108.08077	4.1
109.02881	3.2
109.06511	17.3
110.06037	1.9
110.07179	10.4
110.09640	1.1
112.07607	1.2
119.04865	0.8
120.08102	1.7
120.88109	1.0
124.07584	1.0
126.05471	0.8
126.09151	44.8
127.03928	3.0
127.07550	18.5
129.10242	2.2
130.08655	2.5
136.07567	1.6
137.06004	2.2
145.04936	3.5
154.06749	1.3
154.08636	58.2
155.07027	39.4
172.09683	100.0
174.05447	1.1
175.10783	1.1
185.16493	2.5
203.10419	0.9
266.16107	1.1
278.69489	0.9
291.96136	1.0
334.09140	3.7
334.15186	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.4
51.02395	0.4
53.03942	1.4
55.05503	0.4
57.07077	2.2
60.04515	1.8
67.05522	0.3
67.94787	0.3
69.03414	1.0
70.06589	1.2
70.41136	1.4
71.04997	0.3
72.08154	4.9
77.03936	1.0
79.05495	1.1
81.03395	1.8
81.07065	0.6
83.04988	0.7
84.08140	1.4
85.06543	3.5
86.09713	1.6
91.05475	0.6
93.07020	0.6
95.04977	2.4
95.08623	0.5
97.02885	0.9
102.09187	0.4
103.05462	5.6
105.03388	100.0
106.03734	1.9
106.06552	15.5
107.04932	1.5
107.06898	0.5
107.08570	0.4
109.02872	5.5
109.10185	0.4
112.11250	1.8
114.09174	1.0
117.06959	0.5
120.08176	0.5
121.10157	0.5
127.03896	0.8
129.06934	0.6
129.10269	0.6
130.06700	0.3
131.04924	20.0
131.08585	0.4
132.05260	0.8
132.08095	0.6
134.06009	6.7
136.06152	2.3
138.10788	0.3
139.64024	0.3
141.07051	0.3
142.12262	4.8
145.10153	0.4
148.07564	8.8
149.05956	0.4
156.13844	7.9
156.15057	0.7
158.05986	0.4
161.10780	1.0
162.09135	95.7
163.09547	1.6
167.03397	0.3
168.07462	0.4
190.08621	6.3
199.12262	2.0
208.09691	0.6
221.08017	0.5
226.37953	0.3
233.16502	1.1
237.49928	0.4
257.08017	0.7
316.16052	0.5
316.23810	0.6
317.22107	0.9
334.24863	78.0
335.25220	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	334.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80954	1.2
55.01860	1.9
55.05514	2.0
56.05037	19.1
56.96553	6.2
57.03435	3.2
58.06585	3.6
58.99582	7.3
60.04532	15.2
61.01144	2.0
61.02921	2.4
67.05483	3.4
68.05022	2.3
69.03435	8.0
69.07077	8.0
70.02949	2.7
70.06219	1.8
70.06593	25.8
71.04982	1.8
71.52121	1.9
71.52554	2.0
72.08160	17.2
72.93785	2.1
73.02927	2.1
74.02437	4.0
74.05727	1.8
74.06087	23.5
75.02701	1.7
76.02232	10.4
76.04003	2.3
79.05492	2.4
81.03402	4.8
81.07041	3.0
82.06570	11.9
83.06100	3.0
84.04510	77.9
84.08147	43.5
84.96053	2.0
85.01130	81.4
85.02898	13.1
85.06534	2.2
85.08478	2.0
86.06063	3.3
86.09710	100.0
86.99032	2.7
87.02668	3.2
87.05616	7.4
87.10036	2.3
88.03992	3.0
88.07633	1.7
91.05480	1.8
93.07047	1.7
95.04980	3.2
95.06096	2.7
96.08102	3.7
97.02896	6.9
98.06063	2.4
98.09706	1.8
98.97558	8.2
99.04480	1.6
101.07135	7.5
102.03769	81.9
102.05545	55.3
104.05316	3.8
105.03395	2.1
108.08111	6.1
109.02882	3.3
109.06528	3.0
110.06052	9.9
110.07170	4.6
110.09684	2.7
110.97588	1.6
112.03973	2.3
112.07584	4.7
112.08751	2.6
113.07149	1.4
115.08653	1.7
116.01682	16.6
116.07093	2.8
116.98618	4.0
119.04940	1.3
120.06592	6.7
120.08066	3.4
124.07604	11.2
124.11238	1.6
125.10701	1.5
126.09136	2.3
127.03899	3.5
128.07079	4.7
128.10733	4.5
128.98598	2.5
129.06628	1.8
129.10258	5.3
130.03242	3.8
130.05000	13.4
130.08662	2.8
134.99652	3.9
136.07602	10.8
138.05444	1.7
141.10175	1.8
142.03206	2.6
142.08614	2.4
142.12312	7.8
143.11830	2.6
144.01135	3.2
144.10217	3.6
144.95815	2.0
145.06091	1.5
146.99687	1.9
152.07039	2.6
152.10754	2.1
154.07416	1.9
154.08624	21.1
156.06564	20.6
156.10187	1.6
158.08131	1.6
158.09245	1.9
158.97481	1.6
158.99663	2.1
159.07683	2.5
162.02203	3.3
166.08723	1.5
167.07005	1.6
168.04817	10.4
172.04204	2.4
172.09692	41.3
172.13254	6.5
173.11343	2.2
173.12863	45.4
175.11992	1.6
177.00735	2.0
179.04892	4.8
185.09213	6.0
187.14435	39.3
188.03777	16.3
196.04266	1.9
201.12372	13.9
203.10214	3.0
205.06429	54.7
205.08380	2.7
215.02295	1.3
215.13902	15.0
217.05615	2.3
219.01616	2.1
219.13519	1.5
221.11264	5.8
223.05518	3.5
231.07964	3.9
234.99017	4.9
237.02748	4.5
247.12854	1.5
259.07498	5.3
266.06183	3.3
279.07504	2.6
291.06366	2.1
298.17560	2.8
316.18552	2.5
317.03152	3.0
317.07977	1.5
334.10861	2.6
334.15170	11.1
334.18732	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2422
Annotation	11beta,17beta-Dihydroxy-6alpha,17-dimethylandrost-4-en-3-one
Peak:m/z	Relative Intensity
50.02277	1.4
53.03942	2.8
55.01884	1.5
55.05515	10.7
57.03431	3.1
57.07083	7.6
65.03940	3.5
66.93764	1.5
67.05505	99.9
68.05849	1.5
69.03424	1.6
69.07063	11.2
69.20464	4.7
69.20884	10.0
71.04990	1.5
71.08608	3.8
79.05494	18.7
81.07056	100.0
82.07400	1.6
82.27523	1.4
83.05014	1.7
83.08608	6.3
85.06547	1.7
85.10187	1.6
88.80162	1.3
91.05482	11.7
93.07043	19.9
95.04965	3.8
95.08609	78.3
96.08925	2.2
97.02901	1.6
97.10154	5.7
98.98466	4.6
105.07018	9.6
107.08587	11.3
109.10150	36.7
110.10477	1.6
111.08084	2.2
111.11677	1.4
113.02400	1.8
117.07030	5.9
119.08566	7.4
121.10154	9.2
123.08072	1.5
123.11710	23.0
127.03927	2.2
129.07018	1.7
131.08551	6.8
133.10114	7.0
135.11682	7.0
137.13264	9.6
137.50394	1.5
143.08531	3.8
145.10088	5.8
147.04410	4.9
147.08066	1.7
147.11685	6.1
149.09576	2.3
149.13261	4.0
151.07541	1.6
151.14775	3.9
153.05518	1.5
153.09070	2.1
157.10146	3.7
159.11711	3.7
161.13310	3.4
169.10153	1.7
171.04443	1.9
171.11707	3.8
173.13310	4.2
175.03920	21.6
175.14821	1.9
176.04247	4.8
177.04413	5.3
177.16400	1.8
179.14311	1.3
183.11598	1.6
185.13260	3.4
187.03960	3.5
187.14760	3.2
189.05505	2.2
191.06093	1.7
199.14839	3.6
203.10710	2.0
205.16031	1.4
213.16325	1.7
215.14349	1.4
227.14262	1.9
231.10045	5.0
241.19424	1.8
245.15331	2.4
247.09605	2.2
249.10283	3.5
259.09647	2.6
259.17062	1.7
269.22534	1.8
273.14911	3.0
287.23813	2.4
289.25238	4.3
297.22318	1.8
315.15820	3.3
315.23172	9.0
315.27908	2.4
316.06039	1.3
333.16272	10.4
333.24200	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	333.2422
Annotation	21-hydroxypregnenolone
Peak:m/z	Relative Intensity
53.03949	2.4
55.01870	0.6
55.05511	9.8
57.03437	2.4
57.07067	2.3
65.03954	2.7
67.05503	100.0
68.05834	1.7
69.07069	8.6
69.39702	4.5
71.04977	0.7
77.25000	0.6
79.05492	16.5
81.03439	0.6
81.07054	96.9
82.07376	1.3
83.04976	1.6
83.08620	3.8
91.05476	8.6
92.61328	0.7
93.07042	16.2
95.04961	2.1
95.08604	72.1
96.08951	0.7
97.02860	1.1
97.06527	1.2
97.10160	1.9
101.65284	0.6
105.07030	7.0
107.08592	12.1
107.45212	0.6
109.06516	1.6
109.10153	41.0
110.10531	0.8
111.08064	1.0
111.11674	0.9
113.02399	1.4
117.07013	3.3
119.08588	5.9
121.06519	1.2
121.10143	8.6
123.04432	1.5
123.08073	1.3
123.11701	22.4
125.02354	1.6
125.09639	0.7
127.03908	1.6
129.07004	2.1
131.08568	4.6
133.06441	1.0
133.10136	5.3
135.08051	1.9
135.10681	0.8
135.11684	6.6
137.06010	1.1
137.09599	1.0
137.13252	7.7
139.03915	1.3
139.07573	0.5
143.08566	2.4
145.10132	3.4
147.08044	0.9
147.11655	3.8
149.09648	1.2
149.13191	3.3
151.07547	1.3
151.14827	2.0
153.09105	1.2
155.08498	0.7
157.10149	2.2
159.11664	3.1
161.09676	1.3
161.13261	3.0
163.11195	0.8
163.14828	2.1
170.56252	0.5
171.11722	2.0
173.13274	2.5
175.11256	0.7
175.14874	1.8
177.12733	0.6
177.16402	0.9
181.10187	0.9
183.11629	0.6
185.13263	2.1
187.11217	0.7
187.14761	1.5
189.16341	0.6
191.14244	0.7
194.79364	0.6
197.11662	0.6
199.14818	1.4
201.16489	0.9
203.17926	0.6
217.12244	0.8
217.15764	0.7
227.14378	0.7
229.41710	0.5
231.13742	0.8
233.15309	0.8
239.17990	0.8
241.19569	2.1
245.15355	0.7
252.50471	0.7
259.17041	1.4
263.16483	1.5
263.88040	0.5
269.22601	1.1
271.24094	0.6
277.18002	1.7
287.23758	1.4
289.25201	3.1
297.22141	0.8
315.23157	8.1
316.23639	0.8
333.24225	31.1
334.24594	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	333.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	35.6
55.05503	8.2
57.07070	7.8
61.64010	2.0
65.03931	7.6
67.05508	55.4
69.77628	13.2
71.04979	10.0
79.05511	3.0
83.22207	2.1
85.06545	63.2
107.04910	3.0
108.51648	2.3
113.21518	2.1
116.55668	2.0
119.08643	2.5
121.06508	2.3
123.04425	7.9
128.55269	2.2
135.04425	97.6
136.04797	2.7
143.08549	5.8
145.06462	2.7
147.04424	11.4
147.08049	12.6
149.05977	15.8
152.18295	2.1
155.08496	2.9
159.04422	10.3
161.05914	2.7
161.09584	7.2
163.03860	2.4
163.07503	4.9
165.05475	8.8
171.08015	6.0
173.05962	5.3
175.07527	6.8
177.05489	93.0
177.09015	4.2
178.05948	2.5
183.07927	2.5
186.06744	2.1
187.07559	3.5
189.05473	16.7
189.09109	44.3
191.10670	3.6
201.05385	11.4
201.09119	33.4
203.07034	4.1
203.10649	4.4
205.04938	8.1
205.08607	3.9
207.10175	100.0
213.09064	2.5
215.10722	5.5
219.10155	28.5
231.10168	35.8
233.11725	21.1
243.10144	30.2
245.11684	4.2
249.11234	63.7
255.13817	5.3
261.11212	35.3
273.11807	2.6
273.14847	49.3
291.15897	27.4
315.15909	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93042	3.0
53.69065	2.4
55.01876	35.9
55.05502	9.5
57.07061	10.0
65.03928	10.0
65.52471	2.5
66.11850	2.5
67.05505	56.7
67.79286	2.4
69.07058	3.0
70.32549	8.3
70.32930	5.1
71.04985	7.4
79.05496	4.0
79.63619	2.7
80.75649	2.4
81.96329	2.3
85.06538	59.3
107.08599	2.8
109.15715	2.4
116.12975	2.3
116.25063	2.5
120.99980	2.2
123.04425	5.7
135.04407	80.9
143.08572	3.5
147.04417	8.7
147.08047	9.8
149.05986	13.6
159.04445	7.3
161.09563	6.6
163.07593	3.7
165.05510	7.6
171.08055	5.4
173.05916	2.8
173.09666	3.7
175.03897	3.9
177.05487	100.0
177.09213	3.0
179.07095	3.6
186.06824	3.3
189.05475	13.6
189.09097	42.3
191.10571	3.2
201.05444	8.8
201.09122	20.1
203.06972	3.8
205.04893	4.9
205.08598	5.4
207.10159	93.7
208.10541	4.9
213.09225	5.2
213.15701	2.7
215.10648	4.5
219.10129	16.7
231.10167	34.3
233.11771	16.6
238.55103	2.8
243.10190	29.1
249.11246	68.5
250.11591	3.1
255.13794	5.0
261.11264	28.9
273.14844	35.8
291.15906	22.0
315.15924	42.9
333.16443	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	333.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
53.54722	0.6
55.01859	1.4
55.05514	7.9
55.47232	0.6
56.75837	0.7
57.07088	3.6
59.05007	6.0
59.51611	0.7
60.04511	2.9
62.78546	0.6
64.14028	0.6
65.03925	1.0
66.74309	0.6
67.05507	4.5
69.03428	1.6
69.07052	1.9
70.75314	2.1
71.04980	0.6
72.94002	0.6
75.95089	0.8
76.25486	0.7
79.05502	3.3
81.03378	1.3
81.07055	3.7
81.83336	0.6
83.01318	1.6
83.04986	1.7
85.02866	0.6
85.06548	5.2
86.09718	1.0
91.05473	10.6
93.07023	2.3
95.04958	1.6
95.08597	2.5
97.02919	0.7
97.06495	0.9
98.98459	4.2
103.05447	1.9
105.03402	1.2
105.07039	3.9
107.04967	2.2
107.08585	2.3
109.02863	2.0
109.06495	1.5
109.10144	1.7
111.04429	1.0
115.05476	1.1
117.07036	1.6
119.04942	6.8
119.08569	2.0
121.02828	1.0
121.06489	3.1
121.10136	1.3
122.03587	0.7
123.04402	1.3
123.08086	0.7
124.05204	0.7
125.09606	0.8
125.49035	0.6
127.03882	0.8
131.04932	3.6
131.08557	1.6
133.02803	0.7
133.06467	1.9
133.10094	1.2
135.04382	0.9
135.11658	1.1
137.05965	9.9
143.08591	0.9
144.08095	1.0
145.06471	1.7
145.10072	0.9
147.04401	19.0
147.08064	1.3
149.05983	0.8
151.03976	1.0
152.06232	1.0
153.05487	1.7
153.07025	1.4
155.08476	1.3
157.10106	1.0
159.04449	3.5
161.05957	2.8
161.09619	1.2
165.06999	1.7
167.07056	10.5
167.08473	1.2
170.07245	0.9
173.05896	1.0
173.09602	1.2
175.03909	100.0
175.11198	1.3
176.04251	5.3
177.05522	20.3
179.07011	0.8
181.06465	1.7
181.08589	2.4
182.07199	1.0
183.07974	1.2
185.09578	1.1
187.03931	9.7
187.07581	2.2
189.05479	18.9
189.09108	1.6
190.05836	0.8
191.03380	0.8
193.08575	1.3
195.08072	0.8
197.05910	1.4
198.06734	1.7
199.07484	1.5
201.05440	3.2
201.09041	1.7
203.03381	4.1
203.07033	2.6
203.10684	2.0
207.06531	3.2
211.07564	1.5
213.05602	0.8
213.09151	3.3
215.07043	2.5
217.08569	1.2
225.09306	0.9
226.06174	1.0
227.06926	1.6
227.14352	0.9
229.08612	6.5
231.02870	1.4
231.10159	44.6
232.10484	2.4
233.04359	0.8
241.08553	3.1
243.10132	1.0
245.11676	0.7
247.09622	1.0
255.10085	1.3
255.13788	3.8
259.09659	22.1
260.09961	1.5
269.08127	1.0
271.09491	1.1
273.11325	2.9
273.14908	2.8
288.09952	10.3
297.14966	0.7
301.10538	3.4
303.12289	1.9
315.15918	4.1
315.19290	1.0
333.13181	3.5
333.16980	29.3
333.20697	1.5
333.27982	1.4
334.17416	1.6
334.23773	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1695
Annotation	Anisocoumarin G
Peak:m/z	Relative Intensity
53.03936	1.1
53.54722	0.6
55.01859	1.4
55.05514	7.9
55.47232	0.6
56.75837	0.7
57.07088	3.6
59.05007	6.0
59.51611	0.7
60.04511	2.9
62.78546	0.6
64.14028	0.6
65.03925	1.0
66.74309	0.6
67.05507	4.5
69.03428	1.6
69.07052	1.9
70.75314	2.1
71.04980	0.6
72.94002	0.6
75.95089	0.8
76.25486	0.7
79.05502	3.3
81.03378	1.3
81.07055	3.7
81.83336	0.6
83.01318	1.6
83.04986	1.7
85.02866	0.6
85.06548	5.2
86.09718	1.0
91.05473	10.6
93.07023	2.3
95.04958	1.6
95.08597	2.5
97.02919	0.7
97.06495	0.9
98.98459	4.2
103.05447	1.9
105.03402	1.2
105.07039	3.9
107.04967	2.2
107.08585	2.3
109.02863	2.0
109.06495	1.5
109.10144	1.7
111.04429	1.0
115.05476	1.1
117.07036	1.6
119.04942	6.8
119.08569	2.0
121.02828	1.0
121.06489	3.1
121.10136	1.3
122.03587	0.7
123.04402	1.3
123.08086	0.7
124.05204	0.7
125.09606	0.8
125.49035	0.6
127.03882	0.8
131.04932	3.6
131.08557	1.6
133.02803	0.7
133.06467	1.9
133.10094	1.2
135.04382	0.9
135.11658	1.1
137.05965	9.9
143.08591	0.9
144.08095	1.0
145.06471	1.7
145.10072	0.9
147.04401	19.0
147.08064	1.3
149.05983	0.8
151.03976	1.0
152.06232	1.0
153.05487	1.7
153.07025	1.4
155.08476	1.3
157.10106	1.0
159.04449	3.5
161.05957	2.8
161.09619	1.2
165.06999	1.7
167.07056	10.5
167.08473	1.2
170.07245	0.9
173.05896	1.0
173.09602	1.2
175.03909	100.0
175.11198	1.3
176.04251	5.3
177.05522	20.3
179.07011	0.8
181.06465	1.7
181.08589	2.4
182.07199	1.0
183.07974	1.2
185.09578	1.1
187.03931	9.7
187.07581	2.2
189.05479	18.9
189.09108	1.6
190.05836	0.8
191.03380	0.8
193.08575	1.3
195.08072	0.8
197.05910	1.4
198.06734	1.7
199.07484	1.5
201.05440	3.2
201.09041	1.7
203.03381	4.1
203.07033	2.6
203.10684	2.0
207.06531	3.2
211.07564	1.5
213.05602	0.8
213.09151	3.3
215.07043	2.5
217.08569	1.2
225.09306	0.9
226.06174	1.0
227.06926	1.6
227.14352	0.9
229.08612	6.5
231.02870	1.4
231.10159	44.6
232.10484	2.4
233.04359	0.8
241.08553	3.1
243.10132	1.0
245.11676	0.7
247.09622	1.0
255.10085	1.3
255.13788	3.8
259.09659	22.1
260.09961	1.5
269.08127	1.0
271.09491	1.1
273.11325	2.9
273.14908	2.8
288.09952	10.3
297.14966	0.7
301.10538	3.4
303.12289	1.9
315.15918	4.1
315.19290	1.0
333.13181	3.5
333.16980	29.3
333.20697	1.5
333.27982	1.4
334.17416	1.6
334.23773	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1692
Annotation	Cryptomoscatone E3
Peak:m/z	Relative Intensity
55.01874	1.5
55.05510	1.3
67.05503	1.2
68.23170	0.9
69.25373	8.8
71.04977	1.3
84.08153	2.4
85.06546	1.2
86.09706	5.3
91.05493	0.9
98.21548	1.5
99.45566	0.7
105.06984	0.9
115.96640	0.9
119.04902	1.2
120.08077	1.5
128.06218	0.9
128.10689	2.6
129.07010	1.5
129.10239	2.4
135.04414	2.3
142.07738	2.1
143.08575	2.3
146.05951	0.9
153.07141	1.1
155.08493	1.0
157.06473	1.3
157.10046	4.1
159.04404	1.2
167.08449	0.9
170.07152	1.0
171.04398	6.2
171.08115	4.3
172.08794	2.7
173.06015	1.4
173.09642	2.4
177.05469	2.5
183.08066	1.4
185.05981	1.4
185.09593	13.1
187.07487	2.0
189.09091	3.6
195.07988	1.4
197.05997	1.0
197.09500	1.0
198.06728	3.1
199.11137	3.9
199.14693	1.0
201.05429	1.2
201.09055	4.8
207.10103	1.3
209.09659	1.6
212.08321	2.1
212.11855	1.2
213.09096	38.2
213.12633	2.9
225.09081	2.6
227.10745	7.6
227.14296	13.9
229.12242	2.9
231.10167	3.0
237.12732	5.9
240.11441	7.1
241.12151	1.5
243.10112	1.7
245.11664	3.0
249.11264	2.0
251.14519	1.2
254.12590	0.9
255.10211	5.2
255.13792	79.1
256.14133	3.7
269.15201	6.2
270.29541	0.8
273.11319	4.0
273.14841	20.1
274.15237	1.6
285.10983	1.2
287.16418	0.9
297.14813	13.9
315.15900	100.0
316.16425	5.9
333.17023	7.7
335.49783	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1692
Annotation	Cryptomoscatone E3
Peak:m/z	Relative Intensity
55.01846	1.4
55.05509	1.1
58.67500	0.8
62.74126	0.9
67.05471	1.2
69.18587	6.8
69.19016	3.3
69.19213	1.0
81.06992	0.8
81.70110	1.1
85.06540	1.0
98.20809	2.4
109.10207	0.8
135.04395	1.1
142.07767	1.7
143.08530	1.2
145.06572	1.0
155.34117	1.0
157.06519	1.1
157.10168	3.0
159.04387	2.9
167.07071	1.6
167.08536	1.1
171.04417	4.9
171.08064	3.3
172.08784	2.1
173.05927	0.9
173.09644	2.0
177.05508	1.4
179.08527	1.2
181.10011	1.1
183.07950	1.2
185.09618	9.9
187.07497	1.0
189.09146	1.4
195.08087	2.6
197.09563	1.2
198.06830	2.7
199.11168	1.7
201.05501	2.5
201.09135	5.7
203.06975	1.6
211.07564	1.1
213.09108	38.5
213.12566	2.4
214.09323	1.6
215.10681	1.7
225.09010	1.5
227.10764	6.5
227.14246	13.5
229.12204	2.4
231.10120	3.9
237.12735	3.8
239.30469	0.9
240.11496	6.0
243.10242	2.3
245.11742	2.7
255.10217	2.4
255.13802	66.5
256.14108	2.6
261.11166	1.5
269.15353	4.8
273.11270	6.9
273.14844	23.5
288.09970	1.1
297.14871	9.5
315.15897	100.0
316.16208	4.2
333.16922	12.1
353.04706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1695
Annotation	Cryptomoscatone E3
Peak:m/z	Relative Intensity
55.01860	3.6
55.05511	2.2
57.07082	1.3
67.05519	1.9
69.07068	1.2
69.93459	4.3
78.83118	0.8
79.05489	1.5
81.07055	1.2
85.06556	3.0
91.05485	3.5
95.08609	2.2
98.20906	1.4
98.98470	1.2
105.07017	1.1
107.04999	1.9
109.02914	1.6
116.68371	0.8
117.07082	1.6
119.04935	2.0
119.08610	2.5
128.06198	1.3
129.07013	2.1
131.08594	2.0
133.10133	2.1
135.04398	2.9
142.07858	2.1
143.08548	3.8
145.06532	1.3
145.10126	3.6
147.04343	4.5
147.08054	2.6
149.06001	1.3
155.08540	1.9
157.06531	1.0
157.10121	3.8
159.04390	4.8
159.08099	2.9
161.05984	2.5
161.09630	2.4
165.07008	1.2
168.11432	1.0
169.10121	1.4
171.04419	6.5
171.08067	4.9
172.08838	3.1
173.06004	4.6
173.09630	7.0
175.03935	2.4
175.07510	4.4
177.05522	1.4
179.03421	2.4
179.08565	0.9
183.08090	2.6
185.06039	2.0
185.09602	10.7
187.07568	8.6
187.11275	2.6
188.08315	2.2
189.05472	1.7
189.09119	17.8
190.09685	1.1
194.10916	1.2
195.08054	2.6
197.09630	2.7
198.06828	1.8
198.10391	1.5
199.07558	2.6
199.11214	2.3
200.08443	1.4
201.05473	4.4
201.09123	25.3
203.07100	1.1
203.10535	1.2
207.10121	1.0
208.05965	1.2
209.09607	1.6
209.16533	1.1
211.07451	1.0
211.11264	1.2
212.08421	2.0
212.11888	1.4
213.09119	37.6
213.12418	5.9
214.09630	1.5
215.07149	1.0
215.10645	6.2
217.08582	8.3
219.10191	4.9
222.10445	1.5
225.09103	4.3
226.10071	1.1
227.10728	8.8
227.14310	12.6
229.12225	7.0
231.10175	7.3
233.11783	1.1
237.12730	4.6
240.11447	6.4
241.08687	1.7
241.12291	1.3
243.10162	7.4
243.13834	1.6
245.11780	3.3
247.09688	6.6
255.13811	77.7
256.14215	3.9
257.08014	1.5
259.09628	6.0
261.11227	18.8
269.15414	3.3
271.09488	1.3
273.11551	4.5
273.14844	91.4
274.15262	3.9
277.10934	1.3
291.15811	2.2
297.14902	7.9
315.15918	100.0
316.16193	4.8
333.16998	49.9
334.17413	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	333.1696
Annotation	Cryptomoscatone E3
Peak:m/z	Relative Intensity
53.03941	3.2
55.01878	6.4
55.05505	6.2
56.05033	1.6
57.03428	2.9
57.07076	2.1
58.37098	1.5
59.04993	4.4
59.80056	1.3
65.03924	2.1
67.05492	5.2
68.05044	1.3
69.03423	5.4
69.07065	4.2
70.06595	41.6
70.08286	4.5
71.04979	4.1
72.08138	4.0
79.05489	4.6
81.03426	7.6
81.05805	1.3
81.07053	5.6
82.07413	1.5
83.08619	1.8
84.04498	4.0
84.08150	8.6
85.02903	4.7
85.06545	9.1
86.06088	1.3
86.09705	14.1
87.10046	1.6
88.47825	1.2
91.05467	7.7
93.07043	2.6
94.93823	1.1
95.05005	3.1
95.08608	3.8
96.08100	4.1
97.02908	2.5
97.06554	2.2
98.20852	1.4
98.98426	7.1
103.05437	1.7
105.03402	10.4
105.07023	4.8
107.04949	11.9
107.08638	3.4
108.04433	1.2
108.08117	2.1
109.02872	5.3
109.06528	3.7
110.07165	1.9
111.04449	2.2
115.05463	1.7
117.07017	1.4
119.04941	6.0
119.08607	3.3
120.08078	3.6
121.02808	1.6
121.06499	1.4
121.10137	2.5
122.06001	1.5
123.04398	1.5
124.07593	20.3
125.07932	11.1
127.03884	4.3
128.06218	3.1
128.07092	4.3
129.06992	2.4
129.10231	3.6
130.08682	2.1
131.04935	2.9
131.08598	2.0
133.06456	3.5
133.10132	3.3
135.04402	9.2
136.07666	1.6
137.06007	3.7
137.09593	1.3
141.04541	1.3
142.07771	2.3
143.08546	6.5
144.09459	1.3
145.06459	3.9
145.10118	3.2
147.04424	8.7
147.08057	6.4
147.11388	1.9
149.06094	2.0
152.07132	8.4
155.08510	2.0
157.10110	3.8
159.04420	11.9
159.08121	2.9
161.05919	2.4
161.09605	2.9
162.05426	1.6
162.09126	1.7
163.07515	1.5
166.04979	5.1
167.03412	1.7
169.10158	1.4
169.13359	5.2
171.04381	3.0
171.08025	9.7
171.11696	2.3
173.05959	10.0
173.09607	5.5
173.12994	2.9
174.13174	2.2
175.03897	8.1
175.07574	4.4
176.10730	6.0
177.05444	6.6
179.03403	4.1
183.08034	2.8
185.09592	9.2
187.07556	12.0
187.11172	2.1
188.08315	2.4
189.05511	3.2
189.09134	24.7
192.58293	1.3
195.08018	1.7
197.09763	1.7
197.12830	2.3
198.06726	2.5
199.07480	2.7
200.08340	1.5
201.05489	11.8
201.09067	20.8
203.10672	2.8
204.10211	19.3
207.06535	5.3
207.10236	2.6
208.06055	3.1
209.09662	1.7
213.09091	32.3
213.12509	3.2
214.09392	2.1
215.07098	2.9
215.10677	5.3
217.08612	13.3
219.06589	1.8
219.10103	3.7
225.09222	2.5
227.10597	8.4
227.14233	9.9
229.08389	2.1
229.12280	3.8
230.09326	1.6
231.10161	7.7
237.12759	5.4
240.11436	5.8
241.09846	1.5
243.10129	8.0
244.16536	4.0
245.11858	4.6
247.09709	13.5
249.11186	3.6
250.10695	5.4
253.12250	1.5
255.13799	71.2
256.14078	3.1
259.09705	11.4
261.11258	16.5
269.09116	4.2
269.15503	2.9
273.11630	4.2
273.14844	88.6
274.15109	3.1
288.15967	10.0
297.08621	4.0
297.14902	11.1
315.09698	6.8
315.15958	100.0
316.16223	5.9
333.10513	5.1
333.17123	34.1
334.16623	11.0
345.29477	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1693
Annotation	Cryptomoscatone E3
Peak:m/z	Relative Intensity
55.01881	6.0
55.05511	2.9
57.07080	1.1
59.04998	7.3
64.40925	1.1
65.03941	1.7
66.60205	0.9
67.05497	2.8
69.07075	1.7
69.73675	6.1
71.04996	2.0
74.62792	0.9
79.05505	1.0
79.93430	1.0
85.06561	5.5
91.05473	1.6
93.07054	1.6
105.07024	1.8
107.04926	1.0
128.06239	2.0
129.06987	1.3
131.04872	1.2
133.06464	1.3
133.10132	1.1
135.04405	6.0
142.07770	2.0
143.08586	5.1
145.06477	3.0
145.10048	1.2
147.04509	2.0
147.08069	1.9
149.05968	2.4
155.08536	1.4
157.06541	1.5
157.10152	2.8
159.04420	13.0
161.05995	1.8
161.09622	2.3
167.08435	1.4
171.04413	2.4
171.08023	7.3
172.08780	1.2
173.05975	6.8
173.09619	4.1
175.03830	1.5
175.07564	4.1
177.05423	4.9
179.03392	4.3
183.08041	2.0
185.09607	9.1
187.07542	14.3
188.08379	2.6
189.05476	1.6
189.09103	26.2
193.04958	1.5
197.09679	1.4
198.06816	1.2
199.07587	2.6
199.11217	2.3
201.05478	17.8
201.09085	19.5
203.07124	1.0
203.10709	2.4
205.08578	1.5
207.10007	2.0
209.13237	1.4
211.11194	1.2
212.08510	1.0
212.12025	1.8
213.09094	31.0
213.12741	2.9
214.09454	1.2
215.07051	2.7
215.10645	3.7
217.08604	18.3
219.06544	1.9
219.10197	1.7
222.10509	1.5
225.08963	2.0
227.10724	7.2
227.14339	8.4
229.08533	1.7
229.12312	3.3
230.13049	1.0
231.10158	7.4
237.12816	3.6
240.11453	5.4
243.10103	5.9
245.11710	5.6
247.09662	14.3
249.11304	1.9
255.10361	3.8
255.13808	74.8
256.14154	4.4
257.11755	1.9
259.09671	14.2
260.09976	1.0
261.11234	8.0
269.15329	3.3
273.14850	100.0
274.15192	4.9
275.12744	2.0
287.16489	1.8
297.14917	11.9
315.15906	92.9
316.16281	2.9
333.16937	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	333.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	38.0
55.05511	10.9
57.07075	11.3
59.04993	2.8
59.29260	1.3
65.03940	9.4
67.05505	65.9
69.07055	2.3
69.93855	7.2
71.04984	9.2
73.08839	1.3
73.86597	1.2
79.05497	4.0
81.07056	2.9
85.06545	62.1
86.06879	1.5
91.05487	5.6
93.07039	2.5
95.04952	1.7
95.08611	2.2
98.98448	3.3
103.05473	1.5
105.07010	3.7
107.04958	2.4
109.02895	1.8
111.10437	1.5
119.04974	3.7
119.08598	3.1
121.06512	3.0
123.04427	8.2
131.04947	1.9
131.08572	2.1
133.06493	3.8
133.10078	1.8
135.04414	91.6
136.04803	2.1
137.05971	10.5
143.08563	4.8
145.06471	1.7
145.10138	2.7
147.04425	15.5
147.08040	9.3
149.05968	13.6
151.03911	2.1
156.99568	1.5
159.04408	5.9
159.08037	2.0
161.05965	5.5
161.09627	5.6
163.03918	4.0
163.07556	4.6
165.05501	6.1
167.07077	5.0
171.08066	5.4
173.05949	5.0
173.09602	2.5
175.03912	2.5
175.07527	3.0
176.04288	1.9
177.05486	96.1
177.08955	3.0
178.05838	4.5
179.07077	3.8
180.04440	1.7
181.06415	1.6
183.08047	1.7
186.06776	2.6
187.07539	4.1
189.05482	15.0
189.09102	49.3
191.07010	2.7
191.10664	2.4
201.05411	7.9
201.09123	30.2
203.07062	2.9
203.10693	3.4
205.04977	6.4
205.08557	4.1
207.10162	100.0
208.10411	2.9
213.09094	3.5
215.07056	2.2
215.10695	5.1
219.10167	22.5
231.10201	32.8
233.11708	18.5
243.10196	32.9
245.11815	1.9
249.11223	68.7
250.11499	2.0
255.13791	6.4
261.11252	33.4
267.12128	1.9
273.11557	3.9
273.14847	39.7
274.15317	1.9
288.09967	3.8
291.15894	23.7
301.10699	3.1
303.12222	2.2
308.23099	1.6
311.90457	1.6
315.15897	40.9
316.16159	1.7
318.06168	2.5
333.08615	2.7
333.12521	2.9
333.16617	3.9
333.24414	1.9
342.49530	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.6
55.05511	2.2
57.07082	1.3
67.05519	1.9
69.07068	1.2
69.93459	4.3
78.83118	0.8
79.05489	1.5
81.07055	1.2
85.06556	3.0
91.05485	3.5
95.08609	2.2
98.20906	1.4
98.98470	1.2
105.07017	1.1
107.04999	1.9
109.02914	1.6
116.68371	0.8
117.07082	1.6
119.04935	2.0
119.08610	2.5
128.06198	1.3
129.07013	2.1
131.08594	2.0
133.10133	2.1
135.04398	2.9
142.07858	2.1
143.08548	3.8
145.06532	1.3
145.10126	3.6
147.04343	4.5
147.08054	2.6
149.06001	1.3
155.08540	1.9
157.06531	1.0
157.10121	3.8
159.04390	4.8
159.08099	2.9
161.05984	2.5
161.09630	2.4
165.07008	1.2
168.11432	1.0
169.10121	1.4
171.04419	6.5
171.08067	4.9
172.08838	3.1
173.06004	4.6
173.09630	7.0
175.03935	2.4
175.07510	4.4
177.05522	1.4
179.03421	2.4
179.08565	0.9
183.08090	2.6
185.06039	2.0
185.09602	10.7
187.07568	8.6
187.11275	2.6
188.08315	2.2
189.05472	1.7
189.09119	17.8
190.09685	1.1
194.10916	1.2
195.08054	2.6
197.09630	2.7
198.06828	1.8
198.10391	1.5
199.07558	2.6
199.11214	2.3
200.08443	1.4
201.05473	4.4
201.09123	25.3
203.07100	1.1
203.10535	1.2
207.10121	1.0
208.05965	1.2
209.09607	1.6
209.16533	1.1
211.07451	1.0
211.11264	1.2
212.08421	2.0
212.11888	1.4
213.09119	37.6
213.12418	5.9
214.09630	1.5
215.07149	1.0
215.10645	6.2
217.08582	8.3
219.10191	4.9
222.10445	1.5
225.09103	4.3
226.10071	1.1
227.10728	8.8
227.14310	12.6
229.12225	7.0
231.10175	7.3
233.11783	1.1
237.12730	4.6
240.11447	6.4
241.08687	1.7
241.12291	1.3
243.10162	7.4
243.13834	1.6
245.11780	3.3
247.09688	6.6
255.13811	77.7
256.14215	3.9
257.08014	1.5
259.09628	6.0
261.11227	18.8
269.15414	3.3
271.09488	1.3
273.11551	4.5
273.14844	91.4
274.15262	3.9
277.10934	1.3
291.15811	2.2
297.14902	7.9
315.15918	100.0
316.16193	4.8
333.16998	49.9
334.17413	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	333.1694
Annotation	Cryptomoscatone E3
Peak:m/z	Relative Intensity
55.01833	2.9
55.05464	2.1
67.05457	1.9
69.07028	0.9
71.02622	1.2
71.04951	0.8
79.05464	1.0
81.07013	1.0
85.06529	0.8
91.05433	1.6
93.07005	1.7
95.08570	1.2
98.98441	0.9
105.07018	1.6
107.04913	0.9
115.05441	0.7
115.79953	0.6
117.07001	1.0
119.04900	0.8
119.08533	2.5
128.06166	2.0
129.06970	1.5
131.04842	0.9
131.08546	1.4
133.06448	1.0
133.10103	1.2
135.04369	1.9
141.06973	0.9
142.07721	2.1
143.08601	4.6
145.06410	2.2
145.10141	2.9
147.04396	1.3
147.07986	1.1
152.06262	0.7
153.06969	0.8
155.08537	1.8
156.09317	0.7
157.06511	1.5
157.10112	4.9
158.07187	1.0
158.10361	0.9
159.04419	5.6
159.08028	1.9
159.11707	0.8
161.05957	1.7
161.09637	1.1
165.06917	0.9
166.77225	0.6
167.08521	1.6
168.09291	0.8
169.10069	1.2
170.07268	1.4
171.04401	11.3
171.06914	0.6
171.08040	7.2
172.08861	2.9
173.05966	3.1
173.09627	6.3
175.07547	2.9
177.05437	1.5
179.03290	0.7
179.08485	1.2
181.10165	0.8
183.08011	1.9
184.08849	1.5
185.06003	3.3
185.09605	14.0
186.10123	0.6
187.07530	4.2
187.11185	3.4
189.09123	8.1
194.10944	0.9
195.08023	4.3
197.05923	0.7
197.09528	1.8
198.06754	4.5
198.10460	0.8
199.07426	2.1
199.11122	2.5
199.14725	1.0
200.08243	1.8
201.05460	3.8
201.09106	18.5
203.06999	1.6
208.08813	0.8
209.09598	1.4
209.13245	1.2
211.07578	1.3
211.11212	1.3
212.08313	2.3
212.11920	2.7
213.09103	51.0
213.12625	3.6
214.09486	3.6
215.07050	0.8
215.10620	6.1
217.08633	2.9
219.10086	4.1
222.10411	1.3
225.09113	3.2
225.12766	0.8
226.09819	0.7
227.10732	10.6
227.14284	14.0
228.10977	0.7
229.12201	6.5
231.10199	6.8
237.12770	5.2
240.11462	6.8
241.12149	1.3
242.12930	0.8
243.10181	9.5
243.13791	1.2
244.10493	0.8
245.11697	2.6
251.14241	0.8
255.10271	3.8
255.13797	77.0
256.14209	3.7
257.07974	0.9
259.09576	1.5
261.11227	15.5
269.15405	4.7
272.25922	0.9
273.11288	12.3
273.14816	74.9
274.15356	3.9
285.11182	1.2
287.12967	1.1
287.16360	0.8
297.14825	13.1
298.15149	0.8
315.15894	100.0
316.16187	6.3
333.16968	42.0
334.17297	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1695
Annotation	Cryptomoscatone E3
Peak:m/z	Relative Intensity
53.03938	3.0
53.41037	1.1
55.01875	13.3
55.05497	4.4
57.03413	2.7
57.07059	2.7
60.04513	1.3
65.03918	3.1
67.05505	9.1
67.52643	1.3
69.03416	3.3
69.07056	3.9
69.61847	2.1
69.62258	5.1
70.06576	2.6
71.04971	2.4
72.08158	2.4
77.03907	1.9
79.05483	5.5
81.03422	7.1
81.07040	6.9
83.04954	3.7
83.88255	1.4
84.08111	2.8
85.02887	1.6
85.06555	2.6
86.09684	2.6
91.05476	16.5
91.81889	1.2
93.03391	1.3
93.07021	6.1
95.04947	3.4
95.08595	12.6
97.02882	2.3
98.98439	6.3
103.05435	2.3
105.03394	10.2
105.07012	6.7
107.04942	3.4
107.08588	7.2
109.02866	13.8
109.10138	8.6
115.05437	1.9
117.06980	2.1
119.04939	17.3
119.08549	3.6
120.08161	1.8
121.06495	3.6
121.10095	2.7
123.04379	1.9
127.03886	4.8
128.06171	2.4
129.07024	3.1
131.04900	4.2
131.08565	2.7
133.06418	2.2
133.10133	9.7
134.06000	1.3
135.04411	24.1
136.71919	1.4
137.05977	6.2
141.07004	2.5
142.07768	2.0
143.08551	5.5
145.06433	3.7
145.10115	2.6
147.04408	26.9
147.08089	8.9
147.11632	1.6
148.04765	1.4
148.07417	1.3
149.02312	2.4
149.05962	9.5
151.03833	2.2
152.06178	1.6
155.08578	1.7
156.05588	1.3
157.03957	2.3
157.06441	2.4
157.10088	3.1
159.04425	4.2
159.08014	3.4
161.02338	1.5
161.06018	8.3
161.09647	7.2
162.09155	3.0
163.03862	2.8
163.07535	3.6
165.06950	1.6
167.03450	1.9
167.07028	9.6
167.08502	2.9
169.06412	1.5
171.08055	10.3
171.11653	1.7
172.08792	1.6
173.05986	10.2
173.09586	3.0
174.06726	1.6
175.03906	23.1
175.07530	9.0
177.05487	11.6
177.09201	1.5
179.03355	2.3
179.07053	1.6
181.06387	2.9
181.10001	1.9
183.08015	2.5
184.56081	1.2
185.05992	1.9
185.09584	6.2
186.06740	1.4
187.07509	14.7
188.08301	1.8
189.05547	10.4
189.09100	66.4
190.09445	2.6
191.06993	5.0
194.10909	2.2
195.08057	2.6
197.06000	2.1
197.09540	1.4
198.06697	4.1
199.07536	14.4
201.05444	4.5
201.09090	22.5
203.07013	4.3
203.10663	4.0
207.06508	29.0
207.09984	2.2
208.06859	1.7
211.07558	2.8
212.08354	2.1
213.05693	1.4
213.09091	18.9
213.12511	2.9
215.07030	9.3
215.10533	2.8
217.08572	23.9
222.10397	2.8
225.09109	3.6
226.09784	1.9
227.10655	7.8
227.14281	5.0
229.08585	5.5
229.12155	2.2
231.10139	24.9
231.13698	1.6
233.08000	2.6
233.11446	1.4
237.12691	5.0
240.11383	4.3
241.08510	7.2
243.06633	1.6
243.10153	7.3
245.11684	2.6
245.15361	2.3
247.09653	18.0
249.11145	3.5
255.06432	2.3
255.13791	100.0
256.14124	5.2
257.08029	1.4
259.09665	18.1
261.11160	2.6
268.10825	1.4
269.15402	2.7
273.11389	5.9
273.14819	55.4
274.15170	3.6
277.10632	5.0
287.09305	1.6
288.09927	1.7
297.14798	17.4
301.10562	2.4
315.15939	45.4
316.16354	3.1
333.06039	4.0
333.09531	5.7
333.13559	3.9
333.17407	7.5
334.24698	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	332.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01867	0.6
55.05510	6.1
56.05040	3.5
57.03444	0.9
57.07076	1.8
58.02957	0.6
60.04528	100.0
61.04908	0.6
61.52040	0.6
65.03940	1.6
67.04254	0.6
67.05510	14.1
68.05844	1.3
69.03431	1.2
69.07071	5.4
70.06606	1.9
70.12417	0.5
71.05027	0.6
71.52181	0.8
72.04527	2.3
74.06086	2.2
79.05501	6.2
80.05023	1.5
81.03432	1.4
81.07060	11.7
82.06575	2.7
83.04989	0.9
83.08632	2.3
84.08148	0.7
85.02920	0.7
85.06545	4.3
86.06081	0.5
86.06868	1.2
90.05557	1.1
91.05484	7.3
92.05811	0.5
93.07044	7.3
94.06572	1.7
95.04967	1.3
95.08604	8.5
96.08141	0.9
97.10177	1.3
98.98455	3.9
105.07002	2.9
107.08580	3.2
108.08133	1.1
109.02852	0.7
109.06513	0.6
109.10154	3.3
112.07581	0.6
115.05454	0.9
117.07030	1.5
119.04934	1.7
119.08554	2.8
119.61093	0.5
120.08092	0.7
121.02921	0.7
121.06491	0.8
121.10166	4.3
122.09695	1.0
123.11723	1.6
124.11204	0.9
131.04932	1.2
131.08585	1.5
132.05261	0.6
133.10153	1.5
135.11716	2.0
137.05980	2.3
138.06261	0.5
145.10133	1.4
147.04417	2.3
147.11732	0.7
148.04802	1.7
159.04430	0.8
159.11671	0.8
160.04749	0.9
161.13232	0.9
164.04239	0.6
167.03395	0.6
167.07120	3.0
173.13326	0.9
175.03918	15.0
176.04243	14.5
176.05661	0.9
177.05464	1.7
178.05809	1.9
181.08708	0.8
187.03961	2.2
188.04265	3.1
189.05493	1.5
190.05803	2.1
194.04355	0.8
194.11761	0.8
197.05876	0.7
199.03914	0.7
199.07382	0.6
200.04231	1.3
202.05962	1.1
203.03291	0.7
204.03847	0.5
207.06487	0.6
211.07228	1.0
213.08986	1.0
214.05855	0.7
214.09477	0.8
215.06972	0.8
227.06837	1.1
229.08578	2.4
230.08975	5.0
231.10236	1.1
232.10420	3.6
239.06841	0.8
241.08566	1.6
242.08904	3.2
243.10214	1.3
244.10561	3.2
247.09706	4.2
248.09996	10.0
248.12323	1.0
248.23691	1.3
249.10449	0.6
254.08934	0.7
260.10007	2.4
260.23813	2.0
272.10037	0.7
273.11032	0.7
278.24832	6.9
288.09949	1.9
296.25876	12.4
314.14560	2.1
314.26901	16.2
332.08246	1.1
332.12180	6.7
332.15732	4.5
332.21994	1.9
332.27957	64.0
333.13019	1.3
333.28247	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	333.1695
Annotation	Cryptomoscatone E3
Peak:m/z	Relative Intensity
54.93325	1.2
55.01871	2.1
55.05494	3.0
59.72791	1.0
65.03928	1.3
67.05502	1.5
69.44664	4.5
69.45100	4.5
71.05009	1.2
71.54157	1.3
79.05472	1.1
85.06568	2.1
88.56259	1.0
91.05434	1.7
98.98472	2.4
105.07006	1.1
119.04900	1.5
121.06500	1.2
128.06242	1.2
129.07002	2.1
133.10103	1.8
135.04419	2.7
137.81323	1.1
142.07782	2.4
143.08603	2.7
147.04445	2.4
157.06532	2.2
157.10165	4.6
159.04472	2.1
167.08553	1.5
170.07288	1.3
171.04442	5.1
171.08008	2.2
172.08862	2.8
173.05957	2.0
173.09679	2.2
175.03908	10.0
177.05484	4.1
181.10231	1.3
183.07990	1.5
185.05952	1.9
185.09619	13.6
187.07574	1.9
189.05588	1.3
189.09109	4.1
194.11005	1.1
195.07986	1.7
197.09573	1.5
198.06808	2.9
199.11191	3.6
201.05484	2.7
201.09122	9.6
203.07062	2.4
203.10555	1.4
207.10139	1.8
211.07574	1.3
212.08273	3.0
212.12068	1.2
213.09108	47.5
213.12556	2.8
214.09514	1.7
215.10596	2.6
219.10091	1.8
222.10425	1.5
225.09056	2.1
227.10800	8.2
227.14264	13.6
229.12259	4.3
231.10097	7.9
237.12721	7.3
240.11440	7.0
243.10175	2.4
245.11635	1.5
249.11134	1.4
251.14394	1.4
255.10281	4.3
255.13803	91.2
256.14188	2.9
261.11212	2.3
269.15396	6.2
273.11340	6.6
273.14871	26.1
285.11380	1.4
287.16251	1.7
291.16089	1.8
297.14835	11.6
315.15897	100.0
316.16208	5.0
333.16949	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2178
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
51.58588	0.4
53.03952	0.4
55.01868	0.7
55.05515	1.4
56.05030	1.0
57.02432	0.4
60.04526	22.1
62.06078	0.7
67.05499	2.0
68.05027	1.5
69.03445	2.5
69.07075	9.5
69.38376	4.0
70.02956	1.0
70.06592	3.5
71.05005	0.7
72.08157	1.9
74.06080	0.6
77.42081	0.5
79.05494	3.5
81.03413	1.9
81.05794	0.9
81.07063	2.2
82.06583	1.5
83.04972	2.1
83.08614	1.2
84.04501	1.4
84.05303	0.5
84.08144	2.9
85.02921	2.2
85.06543	0.8
86.06055	0.4
86.09707	100.0
87.05591	9.2
87.10031	1.0
91.05493	2.3
93.07029	1.7
94.06540	0.5
95.04974	1.4
95.08606	1.6
96.04472	0.7
96.08135	2.9
97.02859	0.9
97.06528	1.8
98.98457	4.2
100.11263	0.8
105.03394	0.9
105.06621	1.9
106.06550	0.7
107.04966	0.6
107.08585	0.8
108.08115	1.8
109.02856	1.9
109.10117	0.7
110.07167	0.9
110.09686	1.4
112.11240	0.7
113.09652	0.7
117.06939	0.5
119.04945	0.9
119.08595	0.8
120.08107	2.5
121.10150	1.1
122.02703	1.2
124.07591	40.4
125.07942	1.2
127.03957	0.7
127.11177	0.7
128.07074	2.2
128.10712	9.7
129.10251	0.9
130.06541	0.6
131.08603	0.8
132.10210	7.2
133.06538	0.7
133.10202	0.6
135.04382	0.9
136.07576	0.9
137.05925	0.5
145.04936	0.7
145.06485	0.8
146.05978	0.6
147.04388	1.1
151.03879	0.8
151.07518	0.5
152.07069	1.2
153.12718	0.8
155.08487	0.6
155.11754	0.5
157.06479	0.7
157.07655	0.8
161.05942	0.8
164.07071	2.7
167.03389	1.5
167.07079	0.6
167.64725	0.5
173.12862	79.1
174.13202	1.9
175.03891	1.4
176.04219	0.6
176.98918	0.6
183.11432	0.6
193.12230	1.3
200.04071	0.5
201.12347	23.9
202.12592	0.6
207.06520	1.0
211.07469	1.0
211.13300	1.5
213.05389	0.7
219.13402	10.7
229.08534	0.6
245.18709	0.7
255.02856	0.5
255.13780	1.1
269.09164	0.7
269.11789	0.6
273.14844	1.5
296.13077	0.6
301.11469	1.3
314.13849	0.9
314.20081	0.6
315.09784	1.0
315.15887	1.6
317.09186	0.9
332.07797	0.9
332.11978	1.7
332.24490	1.1
333.06909	0.7
333.10583	1.2
333.14236	1.3
347.02710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82138	7.8
55.22737	7.1
67.05477	10.5
69.07079	38.8
70.03529	32.4
76.16678	6.8
85.06521	9.0
87.90752	7.6
89.23214	8.0
97.65356	7.8
101.20675	7.3
142.64618	8.3
147.04408	13.1
175.03922	100.0
176.04280	28.6
187.03993	11.2
229.08612	38.1
244.10417	9.6
247.09686	51.1
248.10046	11.2
311.66104	9.8
330.78366	8.8
332.15729	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	332.1856
Annotation	Robusticine
Peak:m/z	Relative Intensity
50.05642	4.9
66.36775	4.9
69.07054	18.8
69.44974	4.6
71.07616	10.8
74.03598	4.8
108.05731	4.9
147.04424	7.5
175.03906	100.0
176.04234	14.2
187.03836	7.3
229.08551	22.7
247.09663	68.6
248.10011	6.5
296.38669	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	332.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76902	0.5
52.61942	0.5
52.69515	0.5
55.01880	0.6
55.05508	6.4
56.04762	0.6
56.05033	10.0
57.03424	1.2
58.06592	5.6
60.04515	1.3
62.65579	0.6
67.05493	1.5
69.03421	1.6
69.07056	2.5
70.06593	13.7
71.04972	0.9
71.06926	1.4
71.07333	0.7
71.52529	0.8
72.08154	48.3
72.15749	0.6
73.04027	1.3
73.08476	1.1
74.06078	27.7
75.06387	0.6
79.05492	1.5
81.03413	1.6
81.07037	1.8
81.43330	0.6
82.06557	2.4
83.04993	1.0
83.06071	0.7
83.08617	0.8
84.04503	15.2
84.08138	6.7
85.02884	1.9
85.06541	1.1
86.06100	0.6
86.09702	25.0
88.03994	0.8
91.05459	1.8
93.07037	1.4
95.04967	1.2
95.08580	1.8
96.04462	0.9
96.08112	2.0
97.02866	0.9
97.06530	0.6
98.06062	1.0
98.98463	4.7
100.07608	0.7
101.07137	21.1
102.05515	1.8
103.05402	0.6
105.03378	7.8
105.07034	1.1
106.39490	0.6
108.08134	3.8
109.02895	1.7
110.07141	1.4
110.09676	6.5
112.03986	0.6
112.07575	1.7
112.11228	2.5
116.07045	1.0
118.08624	0.9
120.08083	5.1
121.06463	1.1
122.05995	0.8
124.07587	3.8
126.09209	0.6
128.07080	4.5
128.10703	15.5
129.10229	8.8
130.06529	2.8
130.08650	0.7
132.10178	2.4
134.05972	1.1
136.07553	2.4
138.09125	2.2
140.07031	0.6
142.12231	1.3
143.11790	3.3
144.06526	2.5
146.05994	2.6
147.04388	1.3
152.07069	0.8
152.10687	0.7
153.06627	0.7
155.11784	2.2
156.10234	0.7
157.07597	1.1
158.06013	1.5
162.07597	3.6
162.09120	4.7
165.06961	0.7
168.71643	0.6
169.06097	0.8
170.11761	0.7
173.12851	100.0
174.09192	0.8
174.13193	1.3
175.03897	1.5
175.08655	1.3
176.04211	0.8
181.06105	2.3
187.14404	10.4
188.07101	0.8
201.12326	32.1
211.07658	1.0
215.13837	4.6
219.13412	2.1
223.07547	1.7
229.08517	1.1
231.17010	2.1
233.14970	0.9
243.08945	1.6
256.09760	0.8
271.11972	1.5
273.14941	0.7
286.11566	0.7
287.10251	1.0
297.18149	1.1
314.11337	1.3
314.18906	1.9
315.09723	0.9
332.12396	1.1
332.14899	2.7
332.21768	1.9
333.10745	1.2
333.14468	2.4
333.19083	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2179
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
53.03945	0.5
55.01860	0.5
55.05503	1.0
56.05032	1.1
56.96569	0.4
57.03434	0.7
57.05791	0.5
57.07069	0.4
58.06602	0.6
60.04514	1.2
67.05505	1.5
69.03426	1.6
69.07069	5.7
70.02936	0.4
70.06596	10.4
71.05011	0.4
71.06930	0.4
71.53186	0.8
72.08157	3.2
74.06058	0.5
79.05492	0.9
81.03430	1.2
81.07050	1.3
82.05341	0.5
82.06583	0.8
82.16065	0.4
83.04999	0.5
83.06111	0.5
84.04491	1.7
84.08150	5.6
85.02900	2.0
85.06548	1.2
85.08483	0.4
86.09705	100.0
87.10048	0.7
88.04010	0.6
91.05471	1.0
95.04977	0.9
96.04490	0.6
96.08146	0.5
97.02885	1.1
98.97610	0.6
98.97726	0.7
98.98467	9.4
99.04425	0.5
99.08116	0.4
100.98866	0.5
102.05553	1.1
105.03400	3.0
106.05036	0.6
107.04969	0.6
108.08109	3.6
109.02879	1.3
109.61608	0.4
110.06036	0.5
110.07141	2.9
111.04472	0.6
119.04939	0.6
120.08118	1.8
121.06492	0.5
123.04411	0.7
124.07632	2.5
127.03905	1.1
128.07077	5.2
129.10223	2.1
130.06508	0.8
132.08881	0.4
133.06488	0.4
135.04454	0.4
136.07588	1.3
137.03035	0.5
137.05956	1.2
138.05556	0.4
139.03883	0.4
142.08646	0.6
144.08005	0.5
146.06009	0.9
151.03831	0.5
152.07037	2.4
153.05511	0.6
153.06792	0.4
156.04837	0.5
157.07635	0.6
157.13420	0.5
158.06033	0.5
158.08043	1.1
162.05487	0.6
165.06909	0.5
167.07050	1.1
170.08151	0.7
170.11804	0.7
173.09224	0.6
175.03908	1.2
176.04272	1.2
176.98979	0.6
183.08078	0.5
186.07729	0.4
187.10840	1.0
188.03923	1.0
190.13419	0.7
199.18057	24.9
201.12329	2.3
211.07521	0.6
219.13371	3.9
227.07016	0.5
227.17549	10.5
229.08493	0.6
230.08841	0.6
235.12010	0.8
243.04839	0.7
244.10564	0.6
248.09964	0.8
274.84348	0.4
288.58096	0.4
314.12189	2.0
314.16943	1.3
314.20752	1.3
315.09348	0.6
315.15002	0.7
315.18207	1.0
332.09540	0.9
332.13135	1.4
332.18097	0.8
332.25732	0.7
333.10767	0.6
333.14514	2.0
333.19308	3.8
334.28525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.134
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
50.71806	0.4
53.03938	0.7
55.01867	0.5
56.87645	0.4
56.96562	0.7
57.03434	1.4
57.24326	0.4
57.82516	0.4
61.02921	2.3
61.03176	0.4
61.45010	0.5
65.03931	0.6
67.05492	3.2
69.03432	5.9
70.07469	1.7
71.04970	0.4
72.08146	0.8
73.02917	1.6
78.45226	0.4
79.05486	1.3
81.03407	1.6
81.07059	0.9
84.08140	0.7
85.02907	6.9
86.09679	0.9
87.04462	1.5
92.04996	0.7
93.05779	0.6
96.08098	0.5
97.02902	2.6
98.97584	0.5
99.04449	0.7
101.02420	0.7
106.06554	5.1
108.08112	100.0
109.02897	0.8
109.08434	1.4
115.84953	0.5
123.06805	4.5
124.07587	16.7
127.03910	0.7
134.06020	9.2
136.07578	15.5
137.08311	0.5
145.04935	0.5
152.07057	68.1
153.07396	1.3
154.08614	1.8
170.08099	10.1
170.09410	0.8
220.03960	0.5
236.95729	1.0
237.02844	0.5
314.12317	45.7
315.12631	2.2
332.13382	67.8
333.13748	2.8
350.04144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12702	0.4
53.03947	0.7
55.01863	0.8
56.96563	8.7
57.03449	2.2
61.02932	3.2
63.03534	0.4
63.97286	0.4
65.03922	1.0
67.05510	2.5
69.03432	7.9
70.06578	1.7
71.04994	0.7
71.22182	1.0
72.08152	1.7
73.02916	3.2
79.05476	1.3
79.64640	0.4
80.05019	0.5
81.03419	3.2
81.07041	1.1
84.04505	0.9
84.08133	2.1
84.96027	1.3
85.02438	0.7
85.02911	9.4
86.09704	5.3
87.04465	1.6
89.29988	0.5
91.03931	0.8
91.05484	0.6
93.05781	0.9
96.08108	1.4
97.02899	5.0
98.97585	9.8
99.04440	0.9
101.00836	0.6
101.02380	0.4
102.37657	0.4
104.10721	1.0
106.06555	4.8
108.08117	100.0
109.02882	1.2
109.08469	1.1
110.06034	0.4
110.97581	1.0
112.99123	0.8
115.03925	0.6
116.98617	5.4
119.01897	0.9
120.01938	0.6
122.06006	0.6
123.06821	3.9
124.07590	17.9
124.99131	1.3
127.00641	0.6
127.03947	2.3
128.98601	1.7
131.00156	1.1
134.06007	10.1
134.99649	1.5
136.07581	13.3
143.00157	3.1
143.01837	0.5
144.10201	1.9
144.98027	0.6
145.03510	0.7
145.04939	1.3
146.99596	0.6
148.06056	0.9
149.01207	0.6
152.07063	67.7
152.98604	0.9
153.07333	0.6
154.08620	1.7
157.01768	0.5
157.13390	1.1
158.99661	1.5
159.03264	1.1
161.01198	1.7
161.02876	0.5
169.01740	0.6
170.05081	1.0
170.08133	6.6
170.99669	1.9
173.02931	0.5
177.00644	1.5
185.01265	1.0
185.12833	0.7
186.99136	0.7
187.02824	1.1
189.00699	2.1
189.16000	0.8
190.95280	0.7
200.05899	1.2
203.02310	1.1
205.00163	0.9
207.01834	0.6
218.07030	1.1
219.01746	1.2
231.01836	0.6
237.02789	2.0
242.07028	3.5
247.04887	0.6
249.02867	1.5
251.07918	1.5
260.07950	0.9
265.05902	3.2
283.07001	0.8
290.09042	0.8
291.03928	2.8
307.06808	0.8
309.04950	7.3
314.12329	35.1
315.12662	0.7
321.10178	0.7
332.13388	49.1
333.05069	0.7
333.13828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1763
Annotation	Schizonepetoside B
Peak:m/z	Relative Intensity
52.37155	0.8
54.51526	0.9
54.60320	1.0
55.05491	2.5
56.05023	3.0
56.80184	0.8
57.07060	1.2
65.03893	0.9
67.05509	5.7
69.03405	1.3
69.07060	2.6
70.06589	3.6
70.81569	1.6
70.81913	1.5
72.08133	2.7
79.05499	1.0
81.07036	1.1
82.06577	11.6
83.04999	0.9
84.04498	2.4
84.08141	66.5
85.02905	1.4
85.04030	4.9
85.06541	1.9
86.09705	5.4
87.93050	0.9
88.04017	0.9
94.06590	1.3
95.04958	1.0
97.04009	2.1
98.98466	48.6
99.05576	2.3
101.10772	0.9
102.05505	1.8
104.07124	0.9
105.03390	1.6
106.06577	1.4
107.04948	1.4
108.08126	2.1
110.06041	0.9
111.05575	0.8
111.09183	4.4
112.07594	3.0
113.03490	8.2
115.05493	0.8
119.09805	0.9
120.08133	2.2
123.05560	2.0
124.07605	3.3
125.03461	6.5
125.07110	1.6
127.03918	1.7
127.05050	1.5
127.08670	1.3
128.07076	1.1
129.10237	39.8
130.06519	46.5
131.04866	0.9
131.06895	1.0
132.04451	5.6
132.06833	2.5
132.08080	1.7
134.06026	3.6
139.08629	7.2
141.10242	1.0
144.08090	1.8
145.07642	2.5
146.06017	11.2
147.04436	1.5
147.09177	2.5
148.07625	1.2
151.08696	3.5
152.07063	1.6
153.10251	4.8
155.08195	3.7
157.07603	86.9
158.06007	11.9
158.08049	1.6
159.09143	6.5
163.08736	2.5
164.09468	2.5
167.08176	7.5
169.04991	1.2
169.09718	6.5
173.09341	1.1
174.99236	1.8
175.03903	11.5
175.05316	1.2
175.08694	11.0
176.98950	3.6
177.05498	1.6
179.08168	3.0
181.09732	8.3
182.10565	3.5
185.07121	15.5
186.10310	2.3
187.03914	2.1
187.10715	0.9
189.06696	2.1
202.09740	7.2
203.08228	1.1
211.12410	1.1
229.08627	2.8
231.10107	2.0
240.14990	1.3
241.08580	2.2
241.13396	2.5
243.04829	1.7
243.10304	2.2
244.07181	1.4
247.09836	4.6
250.13319	0.9
251.11781	1.1
259.09741	2.1
267.63010	0.9
268.14438	5.3
285.17218	1.9
286.15524	1.0
296.13916	15.0
313.16586	100.0
314.07892	1.7
314.14752	27.5
315.15421	2.0
331.09882	2.3
331.17719	40.0
332.09735	1.0
332.18100	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
51.38464	1.2
53.03938	1.7
54.82281	1.2
55.05512	7.1
57.07069	5.6
59.05002	1.5
65.03936	5.3
67.05505	22.4
69.03424	1.6
69.07069	4.7
69.72844	7.2
70.06573	1.6
71.04996	3.9
72.08139	1.4
73.93644	1.0
79.05485	3.1
81.03398	2.2
81.07053	4.0
83.04977	3.3
84.08130	1.2
85.06540	20.3
86.09711	1.4
87.00839	1.0
91.05472	7.8
93.07080	1.7
95.04964	1.3
97.06516	1.2
98.21403	2.1
98.98470	28.3
103.05513	1.8
105.03353	1.8
105.07028	2.1
107.08605	1.4
109.02896	3.0
109.10173	1.5
115.05468	1.7
119.04943	2.9
119.08546	1.2
120.08139	3.1
121.06551	1.3
123.11705	3.5
126.95904	1.2
127.03909	2.1
131.04912	6.2
133.06465	1.2
137.05959	1.7
142.07744	1.3
145.06470	1.5
147.04407	11.8
153.07124	1.3
159.04414	6.4
159.08066	1.5
159.11566	1.1
161.05986	4.2
162.05530	4.0
163.03915	4.5
163.09668	1.0
165.07019	1.4
173.05949	1.5
175.03905	100.0
176.04414	2.1
176.98891	2.0
177.05490	13.7
183.08115	1.8
185.05925	1.5
185.09543	2.0
187.03911	18.1
187.07567	3.2
189.05453	12.5
189.09019	2.0
197.05847	1.7
197.09752	1.6
198.06868	1.3
199.03918	4.5
201.05405	6.7
201.09163	2.2
203.03435	3.2
203.07010	1.7
203.10687	2.2
209.05780	2.0
211.07550	2.2
213.05508	4.1
213.09099	2.2
215.07060	3.3
215.10838	1.5
217.08620	1.8
225.09140	1.5
226.06248	2.1
227.06940	1.5
229.08589	28.8
231.10158	15.4
239.07066	1.4
241.08572	13.6
241.12288	2.3
243.10172	20.8
243.13765	1.5
245.08162	3.6
247.09662	49.3
248.10231	1.4
253.08467	1.8
253.12267	2.6
255.10268	2.4
256.07346	1.7
259.09744	9.5
261.11133	5.3
271.10025	2.2
271.13290	10.1
281.27197	1.1
295.13263	3.7
313.07336	1.4
313.14355	14.9
316.09027	2.0
331.08603	4.0
331.11807	11.5
331.15488	8.7
332.12222	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Cryptopyranmoscatone A3
Peak:m/z	Relative Intensity
53.03936	2.5
55.01858	2.6
55.05510	6.9
57.03435	3.3
57.07072	1.8
59.05002	1.3
60.04502	1.2
65.03953	1.2
67.05505	5.7
69.03416	4.1
69.07048	1.8
69.81104	5.8
70.06586	8.9
71.04992	7.7
72.08141	4.5
72.08512	1.1
79.05474	3.6
81.03402	3.5
81.07053	7.0
83.04961	8.3
83.08643	1.8
84.04468	4.4
84.08141	7.1
85.02888	3.5
85.06526	3.5
86.09696	8.1
86.50491	1.1
90.97711	1.0
91.05473	4.3
93.07036	2.2
95.04962	1.8
95.08555	2.3
97.02924	1.4
98.09662	1.4
98.98463	70.2
99.04440	1.2
100.98873	1.4
101.06001	3.4
103.05486	1.1
103.45071	0.9
105.07011	4.6
107.04947	7.0
107.08559	1.6
108.05587	1.4
108.08089	1.4
109.02851	3.3
109.06457	1.5
109.10156	1.9
110.07137	1.4
116.07081	2.1
116.99509	1.7
119.04921	1.2
119.08562	2.2
123.08077	1.2
124.07568	7.2
127.03899	4.1
128.06206	1.5
128.07043	2.6
128.52510	1.1
129.07008	1.9
129.10257	2.2
131.04910	1.6
131.08546	1.8
133.06444	1.9
135.04404	1.7
136.05025	1.8
141.07021	1.7
143.08549	3.2
144.06543	2.0
145.06477	2.3
145.10109	2.6
147.04387	3.2
147.08043	2.0
151.11130	2.2
152.07147	1.2
153.05475	1.6
153.06966	1.3
154.07663	1.4
155.08548	5.5
156.09325	1.4
157.06482	1.5
158.06099	1.3
158.07297	1.7
159.04446	1.9
159.08023	2.4
161.05934	6.5
161.09242	2.2
163.07617	1.4
164.06995	1.1
165.06920	2.3
167.08636	1.2
169.10037	3.3
169.12231	1.2
171.04286	1.1
171.08109	5.8
172.08716	1.7
173.06006	5.2
173.09627	7.4
174.99225	3.0
175.03915	7.9
175.07506	1.2
176.98967	5.8
181.06349	1.3
182.10849	1.1
183.08037	4.0
183.11716	1.1
184.08870	1.3
185.09590	1.8
186.06689	1.5
186.31551	1.1
187.03874	2.2
187.06039	1.5
187.07521	4.7
187.11143	2.3
189.05446	2.6
189.09096	10.3
197.09584	6.3
198.06833	1.4
199.07448	5.9
199.11165	1.5
200.08243	1.2
201.05453	3.9
201.09122	12.6
201.12582	1.3
209.09627	1.5
211.07616	4.9
211.11195	4.5
213.09117	8.5
213.12633	5.3
215.07234	2.6
215.10663	25.2
216.10957	1.4
217.08586	2.3
219.10164	1.1
223.07544	1.5
225.09135	1.9
225.12714	6.6
226.09860	1.1
227.10651	7.4
229.08502	6.0
229.12178	1.5
231.10164	9.2
233.08113	2.3
235.11098	2.0
238.09818	1.6
239.10606	2.0
241.08571	2.3
241.12218	55.2
242.12561	2.1
243.04800	2.1
243.10144	42.0
243.13794	10.9
244.10696	1.2
247.09721	5.9
253.12221	34.7
254.12555	1.4
255.10139	5.0
255.13815	1.9
257.08145	2.3
259.09479	1.7
261.11212	42.1
262.11731	1.6
267.10217	1.4
267.13849	1.6
269.11639	1.7
271.13275	100.0
272.13611	3.6
273.11295	1.3
283.13287	12.9
285.11209	3.7
285.14706	1.5
295.13266	22.3
301.14343	3.9
303.18201	1.6
313.14316	52.0
314.14487	1.7
331.12006	2.8
331.14783	9.6
331.18027	4.0
332.09354	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.0
57.07076	5.9
65.03927	3.9
67.05515	16.2
69.07056	1.5
71.03334	2.2
71.08607	1.4
81.07043	1.2
85.06540	13.5
91.05489	5.3
95.08601	2.3
98.98470	6.7
119.04934	1.8
131.04959	4.6
147.04424	13.0
156.76485	1.0
159.04433	4.5
161.05983	1.3
163.03929	2.9
170.80742	1.0
173.05943	1.9
175.03912	100.0
176.04286	1.4
177.05490	9.2
187.03917	14.8
187.07478	3.0
189.05467	10.1
199.03889	6.4
201.05420	2.8
203.03323	2.9
203.06938	2.3
213.05357	1.8
213.09093	1.5
215.06963	2.8
217.08658	1.7
226.06250	3.6
227.07115	1.6
228.07776	1.3
229.08583	18.7
231.10182	8.6
232.22310	1.0
241.08551	12.8
243.10161	13.3
245.08026	1.0
247.09648	26.9
259.09644	8.3
313.14413	6.3
331.15347	22.2
331.21844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
55.01860	1.4
55.05514	9.1
57.07081	6.6
59.05012	1.6
60.04527	6.5
65.03940	4.9
67.05505	22.7
68.80029	0.8
68.99773	1.2
69.07057	2.6
69.53444	1.9
69.53856	4.2
70.06565	2.5
71.04996	1.7
72.08102	0.9
72.43867	0.8
73.06559	1.1
79.05482	1.8
81.03395	1.8
81.07050	2.8
83.04967	1.9
84.08134	0.8
85.02901	1.6
85.06544	19.7
91.05473	7.6
93.07027	2.2
95.08606	1.7
97.00647	0.8
98.21491	1.7
98.98460	27.7
103.05500	1.6
105.03400	0.9
105.07011	2.1
107.04936	1.0
107.08630	1.2
109.02892	1.6
109.10166	1.9
111.11718	0.8
117.07089	1.0
119.04951	4.6
119.08598	1.3
120.08070	1.4
121.02928	1.0
121.06555	1.6
121.10173	1.6
123.11728	1.1
127.03907	1.1
129.06969	1.4
131.04919	6.3
131.08597	0.8
133.02821	1.1
133.10126	0.9
137.05969	2.7
145.06465	1.2
145.10159	1.7
147.04411	19.8
149.05974	1.3
152.11066	0.8
153.01813	2.8
153.07014	1.1
157.10120	1.2
159.04393	8.0
159.08060	1.1
161.01256	1.3
161.06006	2.6
163.03908	3.8
165.01810	2.8
165.07034	1.8
169.06418	1.1
171.04369	0.9
173.05966	2.7
175.03906	100.0
176.04424	2.1
176.98956	2.1
177.05470	13.4
181.06483	1.3
183.02913	1.5
183.08138	1.7
185.05940	2.3
187.03915	18.3
187.07527	2.9
189.05458	12.6
195.05547	1.8
199.03923	6.0
199.07556	1.7
201.05501	4.9
201.09123	2.2
203.03409	4.9
203.07036	3.8
209.05772	1.1
210.06746	1.8
211.02412	1.7
211.07559	1.7
213.05399	4.2
213.09138	2.3
214.06238	1.2
215.07001	3.9
217.04987	1.7
217.08577	1.4
217.71513	0.9
225.09145	1.9
226.06232	4.6
227.07051	3.4
228.07732	1.3
229.08582	29.2
231.10136	15.8
238.06389	1.0
241.08597	11.4
243.07745	1.4
243.10144	18.6
245.08182	3.7
247.09663	54.6
253.08626	1.7
259.09631	11.7
261.11163	1.3
271.07074	1.4
271.09668	3.2
271.13208	1.8
273.03998	0.9
273.07574	4.5
273.11304	0.9
285.08383	1.9
295.07001	1.1
295.13257	2.0
296.25861	1.0
299.09067	0.9
301.03711	1.1
313.08002	3.8
313.14450	9.7
316.05804	3.9
331.08276	6.1
331.11777	12.7
331.15485	7.8
331.26758	3.7
332.12076	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
55.05276	0.7
55.05513	11.2
57.07074	4.6
59.04998	1.1
60.74371	0.8
65.03937	2.9
67.05507	19.3
69.03432	0.8
69.07054	2.2
70.06546	1.1
71.04991	2.0
73.88745	0.7
79.05482	1.6
81.03419	1.3
81.07019	2.1
82.06572	1.1
83.01340	1.0
83.04988	1.7
83.08578	1.8
85.06544	15.5
91.05486	6.2
93.07014	1.3
95.04967	0.8
95.08579	0.7
96.15779	0.7
98.21528	2.1
98.98463	13.0
100.11269	6.1
103.05440	1.8
105.07005	1.5
105.56174	0.7
109.02875	0.7
109.10154	1.0
110.06027	1.1
111.04440	1.3
115.05424	1.2
119.04931	3.3
119.08571	0.9
120.76940	0.7
122.31911	0.7
128.06224	1.1
128.07085	0.9
128.40347	1.0
129.06985	1.1
131.04932	5.7
133.06529	1.5
135.07977	0.8
137.05959	1.3
141.06987	1.0
142.07837	0.9
143.08525	1.2
145.06488	2.0
147.04407	14.1
147.15883	0.7
152.06256	0.7
153.06969	0.8
155.08511	1.5
157.06476	1.5
157.10159	0.9
159.04410	8.2
161.05991	2.4
163.03877	4.1
165.07022	0.9
171.04398	1.3
171.08061	1.3
173.05963	1.9
175.03905	100.0
176.04442	1.0
176.98856	1.3
177.05473	14.1
179.08652	0.9
181.06393	0.8
182.07289	0.8
182.15385	2.2
183.08058	1.3
185.06035	0.8
187.02246	1.0
187.03908	16.8
187.07513	2.5
189.05492	9.7
198.06712	0.9
199.03925	5.2
199.07498	1.9
201.05525	4.6
201.09183	1.0
202.12234	0.8
203.03398	4.6
203.07014	2.5
203.10757	1.3
203.13045	0.7
208.05154	0.7
209.16451	1.7
210.06790	1.2
210.14825	2.0
211.07591	2.2
212.04652	1.2
213.05545	3.4
213.09096	1.6
215.07027	3.1
217.04955	1.1
217.08646	2.0
218.16917	1.0
225.05478	0.9
226.06255	3.1
226.19049	1.3
227.07121	2.6
228.07776	1.1
229.08594	26.5
231.06641	0.8
231.10161	14.9
238.06245	0.7
239.07040	1.3
241.08621	11.7
241.12265	1.6
243.10182	17.5
245.08005	3.8
247.09663	46.4
253.08554	2.1
253.12421	0.8
255.10008	1.3
257.07950	0.7
259.09631	11.4
260.16483	1.9
261.11136	1.7
271.09656	2.3
271.13284	2.9
273.07428	1.2
285.08344	1.0
295.13260	2.2
299.09161	0.9
313.08173	1.7
313.14276	9.0
316.05740	1.8
326.28098	1.0
331.08234	1.6
331.11697	10.3
331.15427	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	331.1537
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
50.11000	0.8
55.05518	5.7
57.02460	0.8
57.07067	3.8
65.03937	3.8
67.05507	16.1
69.07051	1.3
69.97810	0.8
70.04464	3.6
71.04974	0.9
72.15119	0.7
73.06536	0.8
80.80959	0.9
85.06544	12.6
91.05474	4.5
98.98467	0.9
103.05441	1.1
114.66141	0.9
117.07011	1.0
119.04947	2.0
129.06950	0.9
131.04900	4.8
133.06479	1.5
147.04410	11.8
159.04398	5.3
163.03926	2.4
171.04411	1.6
173.05946	1.5
175.03908	100.0
176.04408	2.3
177.05449	11.4
187.03926	14.6
187.07590	2.8
189.05487	8.8
199.03897	6.7
199.07535	1.2
201.05486	3.0
201.09174	1.2
203.03421	5.1
203.07036	2.0
211.07439	1.0
213.05501	3.1
213.09073	1.4
215.07129	2.2
217.05043	0.9
217.08553	2.1
218.10939	0.8
220.05838	0.8
220.61047	1.2
225.46890	0.8
226.06270	3.8
227.07152	1.5
229.08607	24.0
231.10185	15.8
241.08565	14.6
243.10190	12.4
245.08153	2.6
247.09673	37.2
248.10086	1.2
253.08643	1.5
259.09625	11.5
271.09726	1.1
295.13135	2.0
313.14316	8.9
331.15417	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	331.1538
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
55.05509	6.9
57.07075	5.0
59.04982	1.4
65.03945	4.1
67.05505	17.0
69.07055	2.6
69.24296	1.4
69.24709	6.4
71.04989	1.1
82.06048	0.6
83.01325	1.1
85.06082	1.1
85.06550	14.8
91.05473	5.1
98.98448	1.4
103.05449	0.7
105.07040	1.3
111.11760	0.8
115.05434	1.1
119.04932	2.2
121.10154	0.8
129.06934	1.2
131.04916	5.9
137.74236	0.7
141.06918	0.9
143.04863	0.7
147.04414	13.0
148.04819	0.7
159.04401	7.8
161.06006	1.7
163.03893	3.9
170.07248	0.8
171.04364	1.0
173.05972	1.7
175.03909	100.0
176.04440	1.9
177.05493	8.9
185.05946	1.0
187.03917	18.1
187.07558	2.4
189.05450	9.5
199.03911	5.0
201.05453	5.9
201.09076	0.9
203.03456	3.8
203.07065	3.0
203.10629	1.1
211.07542	0.7
212.04579	1.4
213.05429	2.4
215.07011	3.4
216.06735	0.6
217.04938	1.1
217.08533	1.7
226.06229	2.8
227.07024	1.5
228.07932	0.9
229.08612	24.3
230.08835	0.9
231.08032	1.3
231.10175	15.9
241.08578	14.9
243.07729	0.9
243.10193	16.8
245.08101	2.8
247.09663	49.2
248.09929	1.4
253.08694	0.9
257.07974	0.8
259.09665	12.7
261.11194	1.5
271.09610	1.2
287.12698	0.8
295.13254	2.8
313.14322	11.9
331.15396	28.2
331.84579	0.6
335.76132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
54.28994	1.2
55.05492	4.0
57.07059	4.8
59.04996	1.1
65.03928	3.1
67.05502	12.7
69.07082	1.4
70.37361	3.8
71.04991	1.5
85.06542	13.3
91.05459	5.6
105.12804	1.1
119.04903	2.0
129.10605	1.0
131.04922	3.7
133.06473	1.4
144.98276	1.1
147.04445	10.9
152.96352	1.2
159.04416	6.7
163.03897	3.9
171.04349	1.5
173.05997	1.9
175.03903	100.0
176.04370	1.9
177.05443	6.3
187.03873	13.4
187.07513	2.0
189.04025	1.4
189.05441	7.6
197.05858	1.3
199.03841	5.3
201.05467	3.1
203.03429	2.8
203.07037	1.8
213.05504	1.6
215.07043	2.8
217.08511	1.4
226.06195	2.1
229.08582	19.0
231.10164	7.5
241.08612	12.1
243.10204	10.6
247.09676	32.5
259.09732	9.8
271.46652	1.1
295.13208	2.4
313.14267	8.8
313.73590	1.3
331.15387	45.7
332.15738	2.1
338.20145	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
55.05499	4.2
57.07082	4.4
60.51572	0.9
65.03944	3.1
67.05183	1.4
67.05506	15.1
67.80792	0.9
69.07069	1.1
69.41373	6.0
69.41789	2.1
71.04975	2.2
71.55433	1.0
85.06546	12.4
91.05486	5.1
93.07029	1.5
98.20792	2.1
98.98452	2.1
102.42857	1.0
115.82217	1.0
119.04940	2.5
125.50027	1.3
131.04913	5.5
145.06496	1.2
147.04391	12.9
159.04445	7.3
161.02388	1.9
161.05983	1.9
163.03886	3.7
173.05984	1.5
175.03911	100.0
177.05444	7.9
183.08124	1.2
187.03918	22.2
187.07460	1.5
189.05455	6.6
199.03778	4.8
201.05460	4.0
201.09087	1.1
203.03358	2.2
203.07091	2.3
211.07571	1.2
215.07051	5.1
217.08670	2.0
226.06276	1.8
227.07008	1.4
229.08615	24.5
230.08989	1.3
231.10159	10.6
241.08585	10.3
243.10162	12.4
245.08142	2.1
247.09663	30.9
248.10080	1.3
253.08562	2.0
257.08090	15.2
259.09662	8.5
275.09058	1.1
295.13266	1.2
299.05841	1.0
313.14322	8.4
331.15405	54.1
332.15817	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
51.02395	0.2
51.50588	0.2
53.03929	0.2
55.05515	2.7
57.06840	0.3
57.07080	3.4
59.04988	0.8
63.87255	0.2
65.03938	1.8
67.05506	8.1
69.07048	0.8
69.70638	1.2
71.04977	0.7
71.80527	0.2
72.35020	0.2
73.06548	0.3
81.07045	0.2
83.01344	0.5
85.06544	7.4
91.05480	6.6
103.05450	1.4
105.07043	0.6
115.05468	0.5
115.11993	0.2
117.06990	0.3
119.04935	4.1
121.06505	0.5
128.06192	0.7
129.06987	0.4
131.04927	4.3
133.06479	0.8
135.04382	0.2
141.25279	0.2
142.07846	0.3
143.04872	0.5
145.06465	0.6
147.04411	14.4
148.05057	0.3
155.08556	0.5
157.10100	0.2
159.04414	5.4
161.05956	1.0
163.03909	2.3
165.06955	0.2
167.08629	0.2
170.07143	0.2
171.04425	0.6
171.08110	0.3
173.05986	1.3
175.03903	100.0
176.04570	0.6
177.05472	5.2
183.08124	0.3
184.05305	0.3
185.06027	0.4
185.09598	0.4
187.03900	11.3
187.07448	1.6
189.05478	5.3
198.06761	0.8
199.03891	2.8
199.07544	0.4
201.05484	3.1
201.09138	0.7
203.03423	1.9
203.07011	2.2
203.10681	0.4
205.04938	0.7
211.07582	0.5
212.04697	0.4
213.05463	1.2
213.09145	0.7
215.06976	2.1
217.04913	0.6
217.08560	1.1
226.06236	1.7
227.07069	0.7
228.07802	0.5
229.08597	13.3
231.10179	6.0
241.08589	7.6
243.10164	6.6
245.08090	1.0
247.09657	16.5
253.08636	0.8
259.09634	5.0
261.11191	0.6
265.10535	0.2
271.09604	0.5
295.13287	1.1
301.23376	0.3
313.14319	3.9
331.15390	67.7
332.15558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
51.02357	0.2
53.03930	0.4
55.05509	7.1
57.03434	0.2
57.06788	0.3
57.07075	4.2
58.81322	0.2
59.04987	1.1
65.03939	4.6
67.05503	20.3
69.07076	1.2
69.95081	0.5
69.95498	0.7
71.04999	1.4
73.06542	0.6
79.05486	0.7
81.07048	0.3
83.01347	1.1
83.04964	0.3
85.06542	16.3
91.05480	6.6
91.89140	0.2
93.07052	0.5
103.05482	1.2
105.04520	0.3
105.07052	1.2
107.04944	0.3
109.07619	0.2
109.10189	0.3
111.11720	0.3
115.05447	1.1
117.06998	0.9
119.04948	3.7
119.08539	0.4
121.02832	0.2
121.06493	0.8
121.10131	0.6
122.10352	0.2
128.06216	1.1
129.06987	0.8
131.04924	7.3
133.06503	1.2
141.06998	0.6
142.07806	0.8
143.04906	0.7
143.08528	0.4
144.94261	0.2
145.06516	1.1
147.04410	16.4
148.05164	0.8
149.06035	0.3
152.06242	0.4
153.07024	0.5
155.04930	0.3
155.08554	0.9
157.06493	0.4
157.10120	0.9
159.04417	7.1
159.08055	0.6
161.02315	0.3
161.05989	2.0
163.03900	3.6
165.06978	0.2
169.06477	0.6
169.10106	0.4
170.07318	0.5
171.04402	3.3
171.08052	0.2
171.23154	0.2
173.05995	2.2
173.09627	0.3
175.03902	100.0
176.04634	1.2
177.05467	11.2
177.07050	0.3
182.07326	0.2
183.08043	0.6
185.05988	1.0
185.09645	1.2
187.03902	19.9
187.07515	3.1
189.01833	0.5
189.05475	10.0
191.03351	0.6
195.08063	0.7
197.05997	0.5
198.06760	1.1
199.02051	0.5
199.03902	9.8
199.07582	1.0
199.11240	0.3
201.05473	5.3
201.09122	0.9
203.03386	4.3
203.07007	2.5
203.10727	0.8
205.04929	0.6
211.07593	1.0
212.04645	0.7
213.05475	2.6
213.08966	1.4
214.06195	0.9
215.07027	5.7
216.06461	0.5
217.04970	1.0
217.08586	1.4
223.07686	0.2
225.05469	0.2
225.09076	0.7
226.06245	5.5
227.07080	1.9
228.07861	1.3
229.08595	28.9
231.10153	15.2
235.11455	0.3
239.07042	0.4
241.08591	21.1
243.10170	18.6
245.08038	2.1
247.09656	42.8
253.08630	2.3
255.10263	0.7
257.08148	0.3
259.09650	16.9
261.11337	1.2
265.10620	0.6
269.11688	0.5
271.09656	2.2
287.12656	0.5
295.13348	2.9
313.14334	15.9
331.15387	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	331.1537
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
50.26730	0.8
50.80171	0.7
55.05515	4.6
57.07062	3.7
59.34452	0.8
65.03932	3.1
67.05505	12.7
69.07076	1.0
85.06544	13.4
91.05477	4.2
98.98494	0.8
103.05454	1.0
119.04955	2.7
128.06183	0.9
131.04933	3.7
133.06488	1.0
147.04407	11.4
159.04414	6.5
161.06007	1.1
163.03931	2.6
171.04337	0.9
173.06007	2.0
175.03909	100.0
176.04236	1.0
177.05492	8.6
187.03906	13.8
187.07526	2.0
189.05469	6.7
199.03963	5.8
199.07558	0.9
201.05492	3.8
203.03438	2.6
203.07025	2.0
213.05386	1.4
215.07019	4.1
217.08585	2.6
226.06229	2.4
227.06915	1.3
229.08595	20.6
231.10219	7.4
241.08614	12.8
243.10178	11.3
245.08038	1.2
247.09673	31.5
253.08485	1.4
259.09662	10.1
271.09775	1.2
295.13287	1.9
313.14340	7.8
331.15405	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
52.77656	0.7
55.05519	4.6
57.07079	3.8
59.04997	0.8
64.75893	0.6
65.03930	2.1
67.05505	12.2
69.07069	1.7
69.94447	0.8
69.94849	1.8
70.61791	0.6
71.04974	1.2
85.06546	9.5
91.05476	4.2
96.08443	0.6
105.07033	0.7
114.55254	0.6
115.05467	0.7
118.46045	0.6
119.04942	2.9
121.06512	0.8
131.04962	4.1
142.07863	0.7
145.06535	0.6
147.03258	0.7
147.04419	14.0
148.78215	0.6
159.04420	5.9
161.05981	1.2
163.03947	3.0
171.04414	1.6
173.05965	1.5
175.03917	100.0
176.04448	1.8
177.05510	7.1
182.63490	0.7
187.03912	13.6
187.07599	2.2
189.05470	7.3
199.03920	3.9
201.05511	3.9
201.09140	0.8
203.03413	1.8
203.07085	1.7
203.10678	0.7
213.05479	1.8
215.07062	2.5
217.08617	1.5
226.06303	3.1
227.06914	0.7
229.08601	17.7
231.10168	7.3
239.07063	0.8
241.08598	10.5
243.10162	11.0
245.08159	1.2
247.09671	26.4
253.08646	1.0
259.09692	8.1
287.12708	0.8
313.14401	4.7
331.15411	41.5
332.15680	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
54.50553	1.2
55.05517	6.3
56.47927	1.3
57.07067	4.8
63.81376	1.1
65.03924	4.7
67.05510	13.2
69.07060	1.6
69.42738	10.8
71.04980	1.5
85.06551	18.1
91.05491	6.2
98.98476	12.0
103.05459	2.1
107.08574	1.4
119.04918	3.0
131.04904	5.4
133.06473	1.4
147.04393	13.8
148.78548	1.3
159.04393	5.9
163.03880	3.6
171.04477	1.4
175.03906	100.0
176.04335	1.4
177.05487	10.3
187.03911	17.7
187.07532	2.8
189.05414	6.9
199.03908	6.0
201.05490	4.9
203.03400	3.3
203.07010	1.8
213.05511	2.6
213.09058	1.6
215.07059	3.3
217.08572	2.1
226.06201	2.7
229.08621	32.7
231.10168	14.6
241.08617	18.7
243.10126	16.0
245.08069	3.2
247.09656	47.7
259.09662	13.8
271.09790	1.9
278.93298	1.3
295.13312	2.4
313.14276	15.3
331.15393	62.6
332.15829	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82306	0.9
53.03954	1.2
55.01855	1.1
55.05506	2.9
56.05032	2.3
57.07062	2.3
62.22008	1.0
63.14977	1.0
65.03929	1.3
67.05504	4.5
69.03431	1.2
69.07056	1.5
70.06599	6.0
70.70831	3.0
71.05009	1.3
72.08167	8.4
75.42420	1.1
79.05476	1.2
81.03369	1.3
81.07024	1.6
82.06583	7.7
83.06099	2.9
84.04494	4.8
84.08144	43.1
85.02913	1.9
85.04035	4.4
85.06541	3.0
86.09698	3.9
91.05445	1.7
93.07037	1.1
94.06538	1.5
95.04950	2.6
97.03996	2.0
98.98468	72.0
99.05563	1.6
100.98891	1.1
101.00865	3.1
102.05505	1.1
105.00368	0.9
105.03400	11.6
107.90281	0.9
108.08092	1.9
109.10172	1.3
111.09195	3.0
112.07623	1.6
113.03504	2.7
116.99491	2.9
119.01931	8.6
123.04440	2.0
124.07629	1.7
125.03474	3.3
125.07142	5.4
127.03902	3.3
127.08594	1.5
128.07094	1.5
129.10239	26.9
130.06520	27.9
131.01981	2.1
132.04437	2.6
132.06819	1.7
132.08078	1.1
134.05998	2.0
135.21437	1.1
139.08646	4.1
141.10208	1.5
143.01875	2.0
144.08110	1.1
145.03477	3.5
146.06033	7.5
147.04353	1.3
147.07628	1.6
147.09181	2.5
151.03889	2.9
151.08623	1.7
153.10201	2.4
155.01866	1.8
155.08214	1.7
157.07614	50.7
158.06035	7.7
159.09154	5.2
161.02904	3.6
167.08203	3.5
169.04962	22.9
169.09718	6.3
173.02965	1.7
173.12782	1.0
174.99252	3.2
175.03938	11.5
175.08687	7.2
176.98962	5.8
177.05559	1.4
180.71326	1.0
181.09734	4.7
182.10529	2.3
182.12955	1.4
183.11316	1.9
185.07108	7.5
186.12399	2.3
187.00874	3.6
187.03899	2.6
202.09715	4.1
229.08644	2.9
231.10280	1.3
237.53120	1.3
241.08563	1.9
243.10199	2.8
245.09904	1.8
247.09657	5.1
257.87790	1.2
259.09756	1.7
263.09763	4.8
268.14438	3.7
271.04282	2.0
279.07513	1.1
281.10931	2.0
287.10962	16.1
287.13913	1.5
296.13885	8.2
313.16577	58.8
314.07755	1.4
314.14923	16.3
331.09967	100.0
331.17792	23.6
339.09732	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0811
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
50.00193	0.2
50.02880	0.2
50.32803	0.2
55.05395	1.4
55.05684	0.6
57.06960	0.8
57.07263	0.5
65.03845	0.5
65.04147	0.3
67.05378	3.3
67.05782	0.9
68.99664	0.9
69.06970	0.5
69.94984	0.5
69.95401	0.9
71.04919	0.4
72.00793	0.2
76.14863	0.2
81.06955	0.3
85.06406	3.5
85.06955	0.5
87.23589	0.2
91.05339	1.2
91.05898	0.5
91.45235	0.3
93.06963	0.2
95.08535	0.3
98.98318	4.5
99.00697	0.3
103.05367	0.5
105.06888	0.4
107.04859	0.6
107.08492	0.2
109.10023	0.4
115.05285	0.2
116.99285	0.3
119.04778	0.9
119.08455	0.3
121.06334	0.3
123.04364	0.3
128.06094	0.3
129.06891	0.3
131.04929	1.6
133.02776	0.5
135.04298	0.4
137.02124	0.2
137.05849	0.4
141.06883	0.2
145.02718	0.3
145.06342	0.4
145.09972	0.3
147.04398	3.5
148.04967	0.3
149.05833	0.9
151.03732	0.9
152.06062	0.2
153.06911	0.4
157.06337	0.4
159.04417	2.0
161.05878	0.5
163.03737	1.0
165.06891	0.6
167.06989	0.3
168.00603	1.4
169.01163	0.4
169.06462	0.2
171.04277	0.7
173.05811	0.7
175.03905	24.9
176.04184	0.7
176.98833	0.6
177.05508	3.4
181.06332	0.7
183.04259	0.3
183.07973	0.5
185.00653	0.8
185.05806	0.5
185.09357	0.3
186.01457	0.8
187.03896	5.2
187.07509	0.6
189.05479	3.0
193.06403	0.3
195.07945	0.4
196.05087	0.3
197.05835	0.7
198.06606	0.7
199.03896	2.3
199.07487	0.3
200.04518	0.3
201.05464	1.4
203.03307	1.9
203.06865	0.5
203.10577	0.3
209.05734	0.3
210.06636	0.3
211.07475	0.6
213.05464	1.2
213.09056	0.3
214.06277	0.5
215.06914	0.7
217.04997	1.6
225.05444	2.1
226.06227	1.1
227.03311	1.0
227.06961	0.6
228.07605	0.3
229.08623	6.0
230.05696	0.3
231.02876	0.5
231.10161	3.2
239.06970	0.4
241.08604	3.6
243.06569	0.3
243.10179	4.2
245.04456	9.1
245.08150	0.8
246.04553	0.3
247.09682	10.2
253.08672	0.5
255.02901	1.0
259.09689	2.6
271.06055	0.2
271.09589	1.0
273.03934	11.6
282.65750	0.3
287.05405	0.4
288.06308	1.6
295.13260	0.9
301.03436	14.1
302.03751	0.5
313.14420	1.9
313.17780	0.4
315.04968	0.7
316.05777	80.4
317.06088	2.4
331.08130	100.0
331.11469	5.9
331.15289	5.5
332.08432	3.9
333.27234	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
54.81810	0.4
55.01869	0.8
55.05516	6.9
56.05042	1.2
57.03435	0.6
57.05827	0.8
60.04520	1.8
60.21789	0.5
67.05498	1.4
69.03423	1.4
69.07066	2.4
70.06596	7.7
70.35241	1.0
70.35628	1.0
71.05004	0.8
71.06927	0.4
72.08157	100.0
73.06564	0.4
74.06093	0.7
79.05499	0.9
81.03419	1.5
81.07075	1.6
82.06583	0.7
83.04982	6.2
83.08582	0.6
84.04502	1.2
84.08145	2.6
84.67587	0.4
85.02912	1.6
85.06538	0.7
86.06079	1.2
86.09707	32.8
88.04008	2.1
91.05489	1.8
93.07061	1.2
95.06089	0.8
95.08614	0.6
97.02915	0.7
97.06559	0.8
98.98469	25.5
99.04487	0.5
101.02354	0.8
101.06013	0.7
105.03393	0.5
105.07040	0.5
107.04951	0.5
107.08612	0.8
109.02885	0.7
109.06544	1.2
109.10171	0.6
110.06042	0.4
110.07188	0.6
116.07124	1.5
116.10780	0.7
116.99532	0.7
117.06969	0.5
119.04929	0.5
120.08108	1.1
121.06509	0.8
121.10144	0.6
122.10510	0.5
123.08041	0.7
127.03928	1.1
127.07534	0.7
129.01842	0.4
129.10274	1.5
131.04962	0.5
132.10237	1.9
133.10126	0.6
135.08125	0.5
136.07597	0.7
137.05981	1.5
138.05527	0.4
143.08559	0.5
147.04446	0.6
149.09602	0.7
151.07550	1.0
155.08414	0.6
162.05521	1.1
168.06570	0.5
171.14937	29.0
173.09589	0.7
174.99277	1.2
175.03891	2.3
175.07629	0.7
176.98970	1.8
177.05536	0.5
178.05157	0.5
183.03200	0.5
183.08127	0.6
185.16495	17.3
189.09169	0.9
192.10269	1.4
198.11266	3.6
199.07562	0.5
199.14420	15.3
201.05594	0.5
201.09167	0.9
208.05193	0.7
213.15979	8.6
213.17828	0.7
215.10713	1.6
216.12334	4.1
217.08659	0.9
217.15445	2.3
225.05751	0.8
229.08588	0.8
231.10284	0.7
231.16983	3.7
241.08710	0.4
241.12415	0.7
243.10114	2.7
243.13858	0.7
247.09702	1.0
253.12285	1.5
255.10110	0.6
257.08197	0.6
259.09644	0.5
261.11298	2.3
269.08203	1.2
271.10266	0.7
271.13269	7.1
287.12939	0.5
295.13382	1.0
313.14520	2.8
315.08551	3.1
330.10876	1.8
330.13879	1.2
330.17355	1.9
330.26627	1.7
331.11880	2.0
331.15512	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1747
Annotation	Gelomulide D
Peak:m/z	Relative Intensity
50.82881	0.3
55.05485	0.4
59.67629	0.3
70.14927	1.0
98.98467	4.4
119.04887	0.5
119.08606	0.5
129.07008	1.2
142.07777	1.5
143.08522	1.8
145.06468	0.5
155.08611	0.8
157.06451	0.8
157.10141	3.3
159.04332	0.4
159.08073	0.5
161.17522	0.4
167.08557	1.4
169.10112	0.5
170.07263	0.7
171.04370	1.1
171.08066	2.3
171.11685	0.6
172.08789	2.5
173.09627	0.6
179.08562	1.1
181.10187	0.5
183.08069	0.7
185.06047	0.5
185.09615	9.9
187.11153	0.4
194.10931	1.1
195.08043	1.6
197.05968	0.8
197.09589	1.1
198.06721	1.7
198.10327	0.8
199.07521	0.9
199.11143	1.6
201.09070	1.3
209.09628	1.4
211.07558	0.9
211.11172	0.6
212.08298	3.2
212.11917	1.4
213.09111	30.6
213.12621	1.6
214.09456	0.5
222.10294	1.3
225.09106	3.6
226.09779	0.5
227.10719	8.7
227.14265	9.4
237.12750	8.1
238.13098	0.5
239.10715	0.7
240.11449	8.9
241.12190	0.6
251.14389	1.4
255.10338	4.1
255.13806	100.0
256.14212	3.1
259.13184	0.5
269.15347	6.7
273.26840	0.5
287.12628	0.6
297.14865	8.3
299.12863	0.6
329.17484	69.6
330.17804	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.1
57.03434	1.2
57.07077	1.6
62.46323	1.3
67.05507	11.8
68.99790	2.3
69.03426	3.9
69.07073	12.9
69.43358	6.9
69.43764	3.7
79.05488	5.3
81.07053	17.8
83.04995	4.8
83.08613	7.7
85.06548	15.6
87.00822	7.5
91.05469	1.9
93.07056	7.6
95.04961	2.7
95.08611	61.9
97.06552	4.9
97.10188	1.5
98.98472	23.8
99.08089	7.6
101.06001	2.4
105.03384	8.8
105.07023	7.9
107.08610	10.8
109.06537	4.4
109.10177	8.5
109.10829	2.0
111.08096	1.7
113.09644	5.4
119.08596	11.1
121.10143	19.8
123.08060	21.1
123.11655	2.7
125.09585	2.0
129.05507	1.6
133.10135	4.4
135.11673	6.9
137.09624	4.4
137.13254	4.3
139.11147	2.3
141.09067	3.8
147.11710	2.5
149.09633	1.7
151.07555	4.2
151.11230	1.5
151.14848	2.1
161.13263	17.0
162.09171	9.1
172.47562	1.4
174.99255	3.0
176.98878	1.4
179.14340	22.1
185.11714	2.8
189.12779	3.4
197.15376	100.0
198.15807	2.3
207.13806	5.4
225.14902	10.9
227.09200	1.6
243.15939	11.8
258.49750	1.5
265.14362	4.0
283.15381	5.5
311.14932	10.0
329.22263	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1383
Annotation	Jatamansin
Peak:m/z	Relative Intensity
51.02419	0.5
52.08022	0.5
53.03934	0.8
55.01868	0.8
55.05508	5.9
56.24594	0.5
57.03432	0.7
59.04995	1.8
65.03960	0.7
67.05518	3.1
69.03429	30.0
69.07056	1.9
70.06680	2.2
70.07062	0.5
71.04984	4.1
79.05488	1.6
81.03435	1.0
81.07050	3.0
83.04977	3.5
84.08138	0.5
85.02874	0.8
85.06548	1.3
86.02746	0.5
87.04457	0.7
91.05478	6.0
93.07021	2.5
95.04956	1.6
95.08604	5.2
97.06542	0.6
98.98463	100.0
103.05447	1.2
105.07032	2.1
107.04968	0.9
107.08592	1.7
109.02907	1.5
109.06506	0.6
109.10123	2.3
111.08092	1.7
115.05466	1.7
116.99522	3.2
117.07037	1.1
119.04932	1.7
119.08568	1.5
121.06488	0.8
121.10143	0.8
123.08093	1.2
125.09688	0.5
128.06242	2.6
129.06995	1.5
131.04929	16.0
131.08571	1.1
133.10056	0.7
135.08003	1.2
137.05960	1.0
137.09618	4.1
140.01080	0.9
141.06998	0.9
142.07814	0.6
143.04945	1.4
143.08545	2.9
145.06476	1.6
145.10072	0.9
147.04396	8.4
149.09628	0.9
152.06194	0.6
153.07076	1.4
154.07831	0.6
155.06038	0.6
155.08553	1.8
157.06511	1.2
157.10144	1.1
159.04410	37.8
159.11688	0.9
160.04773	0.6
163.03893	1.7
165.07027	0.6
167.08600	0.8
168.05664	0.6
171.04398	1.3
171.08055	2.2
173.06010	4.1
173.13351	0.6
174.99240	8.6
175.03899	38.5
176.04567	2.0
176.98946	4.5
177.05560	0.6
181.06514	1.0
183.08109	0.7
185.05943	0.9
185.09633	0.7
187.03897	39.3
187.07547	2.0
187.86362	0.5
188.04243	0.7
189.01807	4.8
189.05460	2.8
191.03423	0.6
195.02914	0.6
195.08028	1.6
198.06778	1.2
199.03847	6.8
199.07535	16.8
201.05492	4.2
201.09236	0.8
203.03401	3.7
203.07014	0.6
207.02939	0.7
208.05232	2.1
211.07481	1.3
212.04779	1.4
213.05467	6.0
213.09109	0.8
214.06322	0.6
215.03522	2.4
215.07014	6.0
226.06279	0.5
227.07002	4.1
229.05087	1.2
229.08582	7.0
231.06779	0.6
237.05679	0.6
239.07100	4.3
241.08585	38.7
242.08995	1.5
243.06525	1.0
243.10071	1.0
245.08136	3.4
251.00198	0.5
251.07063	0.7
252.99684	0.9
253.08604	3.6
254.05832	0.7
257.08057	9.4
259.09604	4.4
267.09888	0.6
269.08127	5.4
269.11420	3.2
271.09540	0.8
283.06061	0.8
293.11725	2.7
311.12677	4.9
311.23633	0.6
315.08676	2.7
329.06540	1.9
329.10434	0.9
329.13873	6.2
329.21198	1.0
329.24966	0.7
330.10739	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	329.138
Annotation	Jatamansin
Peak:m/z	Relative Intensity
52.39725	0.5
52.97369	0.4
53.00296	0.6
53.03939	0.7
55.01870	1.4
55.05515	6.0
57.03410	0.8
59.04996	2.6
65.03942	0.7
67.05495	3.5
67.64444	0.5
69.03429	35.4
69.07050	1.2
70.06591	0.7
71.04993	4.4
71.52302	0.9
77.03938	0.8
79.05489	2.3
81.03421	1.3
81.07051	3.1
83.04967	3.7
83.08634	0.7
83.42864	0.5
84.08173	0.6
84.32443	0.5
85.02885	1.4
85.06538	3.2
87.04466	0.7
91.05484	5.4
93.07050	2.4
95.04951	1.0
95.08598	6.0
96.08923	0.5
97.02863	0.7
97.06551	0.6
97.81751	0.6
98.98463	100.0
100.98889	0.7
103.05472	1.4
105.03391	0.7
105.07030	2.5
107.04964	0.6
107.08618	1.8
109.06516	1.2
109.10169	1.9
111.08089	2.6
111.63734	0.5
115.05487	1.6
116.99496	3.3
117.07021	1.4
119.04929	2.4
119.08580	1.8
121.02895	0.7
121.10146	1.5
123.08070	2.1
128.06226	2.8
129.06999	2.3
131.04922	19.0
131.08595	1.2
133.02890	0.8
133.06468	0.8
135.07953	0.6
137.05923	0.7
137.09592	3.5
140.01016	0.8
141.06990	1.1
143.04929	1.6
143.08554	3.6
145.06450	2.0
145.10162	0.7
147.04398	9.1
149.09601	1.3
152.06221	0.6
153.07019	1.8
154.07761	0.6
155.08574	2.3
157.06534	0.6
159.04408	43.5
160.04742	0.7
161.02327	1.2
163.03958	1.6
165.06941	0.9
167.07004	0.6
169.06531	0.9
169.10226	0.7
170.07225	0.7
171.04414	2.1
171.08049	1.5
173.05937	3.9
174.99234	7.0
175.03902	44.4
176.04619	1.8
176.98900	3.8
179.08578	0.7
181.06512	1.2
183.08067	0.8
185.06035	1.8
185.09560	0.7
187.03902	41.5
187.07538	2.4
188.04294	1.1
189.01804	5.5
189.05435	3.5
195.02931	2.4
195.08025	1.6
197.05894	0.6
198.06740	1.0
199.03905	6.2
199.07526	19.0
201.05420	4.4
201.08952	0.6
203.03372	3.1
203.07109	0.6
207.03001	0.7
208.05339	2.1
211.07562	1.6
212.04744	1.6
213.05426	7.3
213.08995	1.0
215.03479	2.5
215.06989	6.3
217.05005	0.5
217.08586	0.6
225.05330	0.6
227.07014	5.5
229.05080	0.7
229.08549	8.0
236.04572	0.5
239.06989	4.4
241.08575	42.7
242.08914	1.6
243.06540	1.2
243.10152	1.6
245.08054	3.7
251.00172	0.5
251.06982	1.1
252.99719	1.5
253.08623	4.5
254.05757	0.6
255.06577	0.8
257.08047	12.3
259.09601	4.7
269.08124	5.3
269.11740	2.8
271.09644	1.2
283.05887	4.1
283.13196	0.9
284.06357	0.6
293.11685	2.8
311.12787	4.4
315.08597	2.4
329.06546	3.2
329.10245	1.3
329.13782	4.2
329.17429	0.8
329.21329	1.0
330.11020	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.9
55.05232	2.8
55.05507	47.5
57.07074	2.5
59.04990	2.0
67.05498	14.2
69.03409	7.0
69.07072	13.1
70.06586	2.2
70.19113	8.9
79.05492	24.5
81.07050	17.5
83.04980	3.5
83.08614	26.9
84.08056	1.7
88.74024	2.2
91.05491	13.1
93.07043	8.9
95.08593	6.6
96.57578	1.8
97.10174	64.8
98.98460	100.0
101.09670	2.3
105.07042	9.5
107.08588	80.5
109.06538	3.7
109.10159	3.4
111.52548	2.0
116.99483	2.9
117.07021	4.3
119.08594	6.7
121.10184	2.1
123.11747	2.7
125.09626	59.2
131.08571	6.0
133.10132	8.4
135.08051	4.8
135.11659	2.0
143.10715	4.4
145.10146	6.0
147.11647	5.2
149.09657	2.8
153.09087	4.2
159.11671	4.3
164.75397	1.8
167.19370	1.8
171.10176	6.2
173.13266	1.9
174.99226	7.8
175.03883	5.4
176.98865	2.8
181.12276	3.2
187.13387	2.1
189.11212	98.7
201.19186	2.0
203.03432	2.5
239.17844	2.7
257.18976	8.1
275.20059	69.0
285.10138	3.1
293.21124	4.0
294.83679	1.8
314.10608	2.3
328.26306	4.4
329.13062	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	328.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53574	0.5
56.96565	17.0
57.03424	0.7
61.02922	1.2
63.18073	0.5
67.05499	1.2
69.03435	2.5
70.06590	5.1
71.04962	0.7
71.51145	0.6
71.95256	1.0
72.08137	1.5
74.97600	0.6
79.20004	0.6
81.03398	1.1
83.91913	0.5
83.97626	0.6
84.08158	3.0
84.96008	0.9
85.02906	5.7
86.00610	0.7
86.06055	0.5
86.09695	0.9
87.04442	0.5
91.05492	0.7
94.06555	2.4
96.04485	0.6
96.14782	0.5
97.02899	2.9
98.97571	25.0
98.98449	14.9
105.03329	0.5
106.06551	0.7
109.02869	0.8
110.07186	1.0
110.97559	0.8
116.98622	15.2
116.99465	1.3
121.05098	1.5
122.06005	2.2
124.07626	0.8
124.11258	0.7
126.02301	0.7
127.03906	0.6
128.98637	1.2
129.10181	0.7
130.93303	3.6
134.06036	3.5
134.99655	6.7
135.03056	0.5
136.07578	1.4
140.00150	0.8
140.03804	1.2
140.07079	3.0
143.02783	1.3
145.04947	0.7
146.99599	0.8
147.04433	0.6
148.04980	0.7
148.06221	0.8
148.07561	4.0
148.94359	1.0
150.05507	23.1
152.07069	5.3
153.00658	0.6
154.04993	0.7
154.93344	1.5
158.04865	1.5
160.06403	1.7
161.04825	0.9
165.05455	0.8
166.07269	29.2
166.08603	2.6
168.06532	1.0
170.05139	0.8
171.02235	1.9
172.94356	24.9
175.08688	0.6
176.05988	0.7
182.08191	0.5
188.05914	1.0
189.00726	0.5
190.03780	1.2
190.95406	31.8
208.96463	11.5
208.98434	0.7
213.97073	0.9
214.95386	21.0
216.96948	1.4
218.95013	0.7
219.01750	1.0
231.98166	0.7
232.04956	0.5
232.96460	100.0
233.96744	1.0
237.02792	1.7
237.08687	1.1
240.42920	0.8
250.97520	70.6
255.98068	3.2
268.98557	0.9
273.99023	3.1
278.96017	1.9
287.97092	1.3
293.88837	0.5
301.02460	0.5
304.03635	1.0
304.98419	1.0
305.98016	1.5
310.08569	6.7
328.03745	12.1
328.12726	2.4
346.04858	70.1
347.05331	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21068	1.0
55.05514	6.8
57.03418	1.4
57.07062	3.9
59.05012	1.5
65.03932	1.3
67.05509	8.6
67.42461	1.1
69.03433	2.0
69.07072	13.3
69.20008	4.8
69.20435	6.4
70.06580	1.7
71.04984	3.5
79.05497	4.8
81.03404	2.3
81.07056	26.8
83.08609	4.3
85.02902	1.3
85.06559	5.6
91.05456	4.3
93.07046	9.4
95.04977	2.0
95.08607	15.9
95.19009	1.1
97.02866	1.2
97.10166	1.2
98.98467	100.0
99.08088	3.8
105.03367	2.1
105.07040	4.8
105.69155	1.1
107.08614	8.7
109.02898	2.0
109.06493	1.5
109.10152	9.4
111.04432	1.2
111.08101	5.7
111.11716	1.5
116.99517	2.9
119.08568	4.1
120.08089	2.1
120.63662	1.1
121.02873	13.7
121.10149	6.6
123.11720	5.7
125.09648	1.5
130.06552	1.0
133.10133	2.0
135.11691	3.9
137.05981	4.3
137.13237	4.0
145.02831	2.2
147.11678	1.8
148.07545	2.5
149.13240	5.4
152.07042	2.6
153.12775	1.3
155.14331	1.2
161.13162	1.3
163.07576	1.1
165.12709	1.4
167.14287	2.6
174.99226	12.3
177.05397	3.4
177.16418	1.4
207.11365	1.9
207.19424	0.9
230.66487	1.1
267.09827	1.2
273.25711	1.0
291.26764	1.6
295.09674	1.5
309.27798	1.9
327.08893	2.3
327.12402	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	327.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01873	2.2
55.05514	6.5
57.07067	3.0
65.03938	1.2
67.05507	8.2
69.03432	2.6
69.06727	1.2
69.07072	14.2
69.36499	0.7
69.36791	7.0
70.06580	1.3
71.04987	1.9
71.08614	1.5
74.03236	0.7
79.05500	3.9
81.03416	1.1
81.07060	28.5
83.04995	0.9
83.08630	5.9
85.02911	0.9
85.06546	5.9
89.06039	1.3
91.05479	3.6
93.07042	10.1
95.04984	1.2
95.08611	17.7
97.06530	1.7
97.10159	2.7
98.20776	1.2
98.98472	100.0
99.08083	4.0
103.05474	1.4
105.03400	1.0
105.07021	4.2
107.08595	8.3
109.02892	1.2
109.06535	1.2
109.10168	10.9
110.72542	0.7
111.08080	6.6
111.11700	2.3
113.09741	0.8
116.99499	2.8
119.08558	4.2
120.08110	2.6
121.02869	10.4
121.10139	5.9
123.08061	1.0
123.11711	8.4
125.09637	1.5
130.06532	0.8
131.04913	1.3
133.06468	1.1
133.10132	1.1
135.11685	4.2
136.07582	1.1
137.05986	3.1
137.09651	1.5
137.13293	4.1
139.11214	1.6
140.00990	1.1
145.02850	1.8
145.10135	1.4
147.04361	1.0
147.11691	2.1
148.07599	1.9
148.62030	0.8
149.13277	3.8
151.11513	0.7
152.07066	2.6
153.12730	1.5
155.14299	1.7
158.05966	0.8
159.11610	1.0
161.13271	1.1
163.07523	1.2
163.14894	1.2
165.05507	1.0
165.12769	1.8
171.13867	0.8
174.99257	13.5
177.01981	1.0
177.05522	2.2
177.16368	1.1
179.83405	0.8
181.06558	0.9
189.16231	0.9
191.17941	0.8
201.14882	1.2
217.19679	1.0
235.07602	1.4
251.00105	1.2
277.08463	0.9
279.27008	1.0
283.19543	0.8
291.26797	2.8
295.09692	1.4
309.27875	1.9
310.23914	0.7
327.08588	2.8
327.12354	2.8
327.23093	1.7
328.15634	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39122	1.0
51.02387	1.3
51.06638	0.9
53.03941	5.3
55.01854	0.8
55.05499	4.1
57.03433	1.4
57.07043	0.9
65.03912	0.9
67.05502	8.5
69.03434	1.2
69.07067	5.3
71.04988	1.3
71.12439	1.0
71.12753	1.6
77.03942	1.2
79.05491	7.1
81.07052	9.6
83.04961	1.5
83.08633	2.0
91.05484	11.6
93.06483	1.5
93.07042	21.0
95.04976	28.0
95.08605	17.0
96.37812	1.0
97.06519	4.0
98.98467	100.0
100.59100	1.0
103.05466	1.8
105.04506	2.5
105.07028	15.4
107.04939	1.7
107.08585	10.7
109.06534	3.1
109.10163	6.3
115.05478	1.4
116.99509	3.9
117.07008	5.8
119.08588	15.9
121.06505	3.6
121.10149	8.2
123.08046	2.8
123.11671	2.1
128.06201	1.8
129.07001	1.7
130.07800	1.9
131.08562	6.8
133.10138	13.8
135.08035	4.5
135.11708	3.9
137.09625	2.4
142.07771	4.1
143.08545	5.9
144.09322	2.6
144.67361	0.9
145.10126	11.8
147.11662	5.3
149.09573	1.4
149.13173	0.9
152.06232	14.5
153.06995	11.4
154.93073	1.0
155.08511	2.0
157.10127	10.1
159.08035	1.2
159.11693	10.8
161.09608	3.2
161.13232	1.9
163.11162	1.3
163.14822	1.0
168.05722	3.7
169.06435	2.0
169.10126	4.3
170.10880	1.4
171.08063	1.2
171.11678	3.5
173.09698	1.6
173.13220	4.8
174.99222	12.9
175.11215	1.4
175.14827	5.0
181.10089	1.3
183.11665	2.9
185.13251	2.0
187.03088	1.2
187.11206	1.9
187.14861	4.1
195.11655	1.9
197.13243	2.6
199.14813	3.4
201.16402	1.2
209.13266	3.1
211.14836	2.0
213.16374	1.6
215.02606	2.7
220.12285	1.1
225.16397	1.3
228.09325	4.9
229.10132	1.9
233.03656	13.1
235.14845	1.8
238.19406	1.1
251.00194	2.3
251.04671	6.3
281.64777	1.1
291.20987	1.2
309.22208	2.7
327.07816	53.1
327.23193	7.0
328.08243	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	327.1589
Annotation	Picealactone B
Peak:m/z	Relative Intensity
52.94151	0.6
55.01878	2.5
62.86042	0.6
67.05515	0.9
69.07092	1.0
69.74474	3.7
79.05518	0.7
81.07082	0.9
91.05490	0.9
93.07086	0.9
94.94414	0.5
95.04986	1.3
95.08592	0.9
98.21535	0.6
98.98465	69.8
99.54472	0.6
105.07053	1.1
107.80923	0.6
109.06522	1.1
109.10196	0.6
110.06036	1.4
111.06406	0.7
116.99513	2.3
119.08566	0.9
121.10147	0.9
129.06995	1.9
131.08536	0.9
133.06479	0.6
137.14726	0.6
138.05426	0.7
141.07031	2.0
142.07796	1.1
143.08563	1.2
152.06293	1.3
153.06976	3.2
154.07742	1.5
155.07373	0.8
155.08539	3.9
156.09315	1.4
157.06526	1.1
157.10112	1.2
165.07007	10.9
166.07829	3.6
167.08598	5.7
168.09265	1.1
169.06447	0.7
169.10141	2.5
171.08061	0.8
171.11642	0.7
174.99214	7.0
176.06160	0.8
177.07063	0.7
178.06197	1.1
178.07770	22.7
179.08543	8.1
180.09332	5.8
181.06494	2.3
181.10117	3.7
182.07304	2.0
182.10901	0.8
183.08044	9.1
183.11743	1.9
184.08798	0.8
189.06960	1.5
190.07770	2.3
191.08539	2.6
192.09297	2.6
193.10138	36.6
194.10672	2.5
195.08043	6.0
195.11725	8.7
196.08731	1.5
197.09650	4.4
197.13271	2.0
199.00134	0.7
199.07571	0.7
202.07808	1.7
203.08624	4.0
204.09312	1.1
205.06454	3.6
205.10150	3.1
206.07271	22.3
206.10928	2.3
207.07962	5.1
207.11694	1.8
208.08870	4.1
208.12306	0.7
209.09613	4.1
209.13280	1.7
210.06802	1.0
211.07674	0.8
211.11217	2.4
211.14925	0.8
215.82048	0.6
216.01866	0.6
219.08128	3.1
220.08772	2.8
220.12431	1.9
221.09616	100.0
221.13237	4.0
222.10118	5.8
222.13802	0.7
223.07584	1.8
223.11165	13.7
223.14555	0.8
224.08217	1.3
224.11780	1.4
225.09105	5.3
225.12624	0.9
225.16243	0.9
227.10699	1.5
230.10886	1.3
231.07932	1.0
231.11795	0.9
233.09616	1.7
234.06747	6.3
234.10391	1.3
235.07516	1.4
235.11288	2.9
235.14821	3.5
237.05411	0.9
237.09131	1.0
237.12683	0.9
239.10709	11.5
239.14331	1.3
240.11305	1.9
241.12215	7.5
245.13332	1.0
247.80899	0.6
248.08270	1.3
248.11992	3.1
249.09113	91.6
249.12985	2.8
250.09486	3.8
250.99988	0.8
252.07745	1.9
253.08571	1.0
253.15808	0.7
257.15353	0.8
263.14297	8.7
265.15710	1.0
265.65634	0.7
266.09241	1.5
267.10156	74.0
268.10660	2.9
271.09808	0.9
281.15121	5.3
281.18372	1.3
285.11133	11.0
285.14432	1.0
291.13773	9.2
297.12521	1.2
309.14767	20.6
310.14813	0.9
312.14905	0.7
327.15857	57.6
328.16241	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	326.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01875	0.7
55.05515	1.9
56.05038	1.1
57.03433	2.4
57.07076	0.5
60.04523	2.2
67.05513	3.4
68.05032	1.1
69.03436	1.7
69.07072	2.4
70.06593	10.5
70.20527	1.4
70.20916	1.0
72.08157	3.0
79.05490	5.9
80.05032	1.6
81.03433	3.3
81.07049	4.2
82.06589	1.3
83.04984	2.0
83.08595	0.6
84.04507	7.8
84.08145	1.8
85.02905	10.3
85.06540	1.0
86.09699	4.1
88.03999	0.8
91.05476	6.3
93.07046	8.1
94.06562	1.6
95.04974	2.1
95.07377	0.6
95.08595	2.8
97.02913	0.5
97.06499	1.0
98.09708	0.6
98.98466	64.9
100.11245	0.6
102.05538	1.5
103.05479	1.7
105.03366	0.9
105.07043	2.9
106.06547	2.3
107.08588	5.0
108.08112	18.7
109.02898	1.7
109.06510	1.3
109.08932	1.0
109.10133	3.0
110.07121	0.7
110.09683	2.0
110.10447	0.5
111.04421	0.7
111.08095	1.0
112.03989	0.5
114.05525	1.9
116.07099	13.0
116.99519	2.7
117.07011	1.3
119.08582	28.9
120.08084	1.4
120.08916	0.8
121.02856	1.8
121.06505	1.8
121.10161	1.4
122.03706	0.6
122.09672	10.8
123.10451	1.4
123.11700	0.8
127.03931	1.2
131.03406	0.8
131.04941	1.1
131.08542	0.7
133.02893	1.1
133.06494	2.2
133.10138	1.8
134.03220	0.6
134.06021	14.3
134.07007	0.9
134.09648	1.0
135.06340	0.5
135.08054	1.3
135.11713	5.9
136.07585	1.4
136.11197	3.5
136.12094	0.6
137.05956	5.4
137.09625	2.3
138.09152	0.6
142.04993	0.9
147.04434	0.9
147.08061	1.6
147.11670	2.6
150.12778	25.9
151.13577	7.1
152.07108	1.0
152.14334	8.1
153.05473	1.1
154.08617	1.0
161.13240	0.7
162.09167	0.6
163.03899	1.9
163.07550	3.2
164.04291	1.2
164.07031	3.4
165.01846	0.7
165.05496	2.3
165.09117	1.0
166.12410	0.7
168.10207	0.8
174.99231	9.0
175.03864	0.7
175.11150	4.4
178.15862	0.7
180.06636	0.7
180.10307	1.1
182.08194	1.6
182.11908	0.7
190.15903	0.8
193.12257	2.7
195.12543	3.5
196.13347	5.2
200.14142	0.7
203.06944	0.5
205.12141	0.7
207.06480	0.7
208.09464	0.6
208.13292	1.4
210.07602	0.9
224.09186	1.0
228.08600	0.6
228.12306	1.0
236.16415	1.4
240.12262	0.7
251.00009	1.4
252.12271	1.8
264.15952	1.7
280.15393	0.8
282.16995	100.0
283.17346	3.0
284.18640	3.3
308.18552	9.9
326.16141	3.0
326.19604	62.0
326.23019	2.1
327.08908	0.5
327.19885	2.2
337.06720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41008	2.2
52.41308	2.1
52.60551	2.0
53.03938	6.7
55.01864	6.0
57.03436	4.7
61.02910	7.8
69.03424	37.6
69.03780	3.7
70.06587	13.5
70.87396	5.1
70.92621	1.7
71.04992	3.5
73.02924	5.4
73.05474	1.8
81.03419	18.6
81.64056	1.9
85.02902	100.0
87.00823	48.0
94.84211	2.2
97.02884	28.5
98.97797	2.4
98.98458	50.8
99.04469	10.3
105.01859	98.3
109.02879	25.5
123.08101	1.8
125.34675	1.7
127.03913	78.1
129.01804	2.1
145.04962	38.5
159.02817	10.1
174.99220	5.2
189.03839	4.7
213.12350	4.3
218.69629	1.9
231.05045	23.5
249.06026	8.8
256.77875	1.7
292.28284	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	326.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01857	0.5
55.05512	0.8
65.03946	0.5
67.05514	1.0
69.07076	0.6
69.67151	0.4
70.06590	1.4
71.52422	0.6
77.03948	0.6
78.39500	0.6
78.46922	0.5
79.05496	4.2
81.07058	1.9
86.09681	0.6
88.07651	1.3
91.05486	8.2
93.07038	0.9
95.04986	1.7
95.08620	1.2
98.98466	91.5
103.05445	0.9
104.04996	0.7
105.03403	4.5
106.03713	1.7
106.06559	13.1
106.08691	0.7
107.04869	0.7
107.08606	1.0
108.08117	1.5
109.06504	1.3
109.10149	0.8
116.04980	5.3
116.99518	4.0
119.08578	0.5
120.04455	2.0
130.06535	2.8
132.01192	0.5
132.04466	1.7
133.05240	1.5
133.10088	0.5
134.06015	100.0
135.06381	2.9
140.01076	1.8
146.06036	2.2
147.74117	0.5
148.07596	2.5
158.06012	10.8
159.06718	1.2
161.07108	3.7
164.09479	2.1
174.99232	15.4
176.07062	0.7
186.04199	0.6
190.33444	0.5
196.08464	0.6
200.14351	23.4
202.07428	0.5
228.17461	0.9
229.18243	1.6
240.77693	0.6
246.24286	4.3
251.00018	2.2
254.08144	0.5
279.11328	2.1
294.08289	0.6
308.09689	0.5
308.13898	1.8
309.14297	0.5
326.06760	0.8
326.10425	2.4
326.14127	1.0
326.20221	2.2
326.24741	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	326.1385
Annotation	Oriciacridone E
Peak:m/z	Relative Intensity
50.90589	0.2
54.41169	0.2
63.50952	0.2
65.79156	0.3
69.42143	1.5
69.42554	0.5
98.20778	0.4
98.98470	6.3
119.08568	0.3
134.83633	0.3
144.08037	0.6
145.06546	0.3
154.06509	0.3
168.08070	0.7
171.06763	0.9
172.07591	1.7
174.99159	0.8
184.07544	0.4
186.05522	0.4
186.09160	2.5
196.07588	1.8
198.09196	0.4
199.06290	4.4
200.07068	10.0
212.07082	0.8
214.08632	16.2
222.05469	0.3
224.04994	0.5
224.07069	6.7
225.07784	0.5
226.05057	0.6
227.05768	8.8
228.06548	26.1
229.07021	0.6
240.06554	2.0
241.07295	0.7
242.08115	53.0
243.05139	0.3
243.08482	0.7
244.06081	0.6
246.07651	2.5
252.06560	1.7
255.05283	1.5
256.06067	7.4
258.07578	0.8
268.06046	28.0
269.06573	0.8
270.07602	80.7
271.07898	2.1
282.07568	1.7
294.11343	1.4
296.09149	1.9
311.11511	4.5
326.13864	100.0
327.14325	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	326.1386
Annotation	Oriciacridone E
Peak:m/z	Relative Intensity
55.79565	0.1
56.96538	0.2
66.91768	0.1
69.73910	1.0
77.86391	0.2
95.08567	0.2
96.70892	0.2
98.21417	0.3
98.98465	8.7
102.07579	0.2
110.06017	0.7
116.99526	0.2
138.05482	0.3
174.99219	1.4
199.06207	0.5
210.79579	0.2
214.08705	0.2
224.07014	0.3
227.05788	2.4
234.13568	0.3
242.08136	2.3
250.99966	0.3
255.05267	20.4
256.05579	0.6
270.07599	100.0
271.07901	1.9
326.10046	0.3
326.13837	5.2
334.05878	0.2
346.51297	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.01872	18.9
55.05512	27.6
57.03420	5.0
57.07061	9.5
59.04993	11.1
61.63258	2.4
67.05510	32.0
69.03403	13.1
69.07067	83.1
69.27526	9.4
69.27949	16.7
71.04986	13.5
71.08619	5.4
71.67044	2.6
77.03929	3.2
79.05495	27.3
81.03407	7.5
81.07056	100.0
82.74846	2.5
83.04970	6.6
83.08626	19.0
84.08122	3.8
85.02885	4.0
85.06549	22.2
86.09682	2.8
89.42712	2.5
91.05476	22.7
93.06488	3.7
93.07043	44.7
95.04973	15.9
95.08604	74.1
97.06522	14.1
97.10162	9.0
99.08070	9.9
101.06021	4.2
105.02737	4.0
105.03394	61.8
105.07041	26.4
106.03727	20.1
107.04955	8.2
107.08591	48.8
109.02840	4.1
109.06486	10.4
109.10146	45.3
111.08079	38.6
111.11697	12.7
117.07024	6.0
119.04906	5.8
119.08591	19.6
121.02918	3.2
121.06482	9.5
121.10143	37.1
123.08056	5.4
123.11703	45.0
124.07582	3.0
125.06092	2.8
125.09624	7.6
130.29643	2.6
131.08563	5.0
133.02840	15.3
133.10106	15.3
135.04388	7.5
135.08002	6.9
135.11687	18.0
137.05971	10.1
137.13235	10.3
139.11201	26.4
145.02853	5.8
145.06444	4.4
145.10139	10.1
147.11661	14.7
149.05974	11.2
149.13258	16.5
151.03931	6.9
151.11182	17.1
153.12740	13.4
157.06328	2.5
157.10132	5.4
159.11673	5.3
161.13229	6.8
163.03905	47.0
163.07544	7.6
163.11156	7.4
163.14836	4.5
165.05573	2.9
165.12746	11.2
165.16367	2.8
169.12254	5.2
173.09766	2.7
173.13234	5.1
175.03949	5.2
175.14870	5.5
177.05516	27.6
177.06940	5.5
177.16499	3.8
181.04918	4.7
181.12260	7.1
183.13786	3.4
186.03192	4.2
190.04890	3.7
191.17868	4.8
191.48322	3.9
193.04948	6.3
193.06628	3.1
194.07237	5.5
195.08096	2.9
201.05467	13.4
203.18002	5.4
205.04936	48.8
205.06567	8.1
206.05363	3.6
219.08276	3.2
221.05942	3.4
222.06779	8.1
223.05978	11.4
233.05981	10.9
234.06815	4.3
237.09050	7.5
239.06812	3.8
241.10481	6.9
247.09686	4.8
250.06206	8.6
251.06711	4.0
264.07751	4.9
265.08591	10.8
266.09283	4.4
267.06345	3.5
271.24091	3.9
277.25275	7.1
289.25226	16.5
292.07217	9.3
293.08069	17.8
297.11395	3.5
307.09674	17.6
307.26282	32.8
309.07480	3.4
310.08566	4.1
325.10596	46.3
325.14059	2.2
325.21652	6.0
325.27423	8.0
326.10919	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	325.2374
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.03938	2.8
55.01859	1.6
55.05513	12.6
56.96570	1.4
57.03437	5.5
57.07071	5.9
65.03934	2.6
67.05507	64.3
69.03423	1.6
69.07066	12.0
70.65784	4.3
71.04998	3.7
71.61768	2.0
75.04494	1.6
79.05497	37.1
81.03431	2.8
81.07059	73.2
83.04952	2.4
83.08604	7.1
85.06538	5.8
91.05486	20.7
93.06490	2.9
93.07053	51.3
95.01345	1.8
95.04963	6.0
95.08609	44.5
97.06490	2.6
99.08103	8.3
105.07038	19.7
107.08598	28.7
109.06515	4.2
109.10158	24.3
109.72513	1.4
110.06048	4.4
111.08112	1.6
113.09660	3.3
117.07017	8.4
119.08592	13.5
121.10152	38.2
123.08035	2.5
123.11707	20.0
125.09622	2.6
131.08563	15.8
133.10167	14.8
135.08087	1.7
135.11697	38.3
137.09576	3.0
137.13255	3.2
145.10132	13.6
147.11688	11.1
149.13266	17.1
149.14415	2.0
151.11200	3.1
154.71036	1.5
157.10149	1.8
159.11708	18.3
161.13330	2.6
167.08641	1.8
168.34314	1.6
173.13272	10.1
175.14772	1.6
177.12729	1.9
179.08530	1.6
181.10152	1.9
187.14824	3.4
189.16406	2.7
193.10104	1.7
195.11887	1.5
205.19543	9.1
215.17944	33.2
227.05774	2.8
232.08661	1.9
233.13300	3.1
233.16666	2.7
233.19009	49.9
242.08171	3.1
251.20084	6.3
255.05287	17.5
261.12732	2.9
270.07623	100.0
279.13757	2.5
289.12564	1.8
307.22678	4.6
325.14069	4.6
325.17969	4.5
325.23840	13.3
326.13940	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	325.2374
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.03935	5.5
55.01868	10.8
55.05516	42.6
55.28446	4.1
56.96553	5.2
57.03438	38.3
57.07071	13.9
67.05509	70.5
69.07072	66.0
71.05001	32.3
71.52795	6.6
76.68175	4.1
79.05499	59.9
81.07058	85.3
83.04994	10.9
83.08606	25.5
85.06547	8.6
91.05473	37.5
93.07052	65.2
95.04953	17.1
95.08604	69.1
97.06548	17.7
97.10178	27.9
99.08069	7.3
105.07037	36.1
107.04950	5.9
107.08596	56.1
109.06516	16.1
109.10172	38.8
111.08092	30.4
111.11747	6.2
117.07022	18.4
119.08578	38.4
119.56840	3.9
121.02915	6.6
121.06528	10.6
121.10152	51.6
123.08109	8.6
123.11735	5.7
125.09648	23.0
129.06978	6.9
131.08577	30.9
133.10132	24.2
135.08037	13.2
135.11714	13.6
137.09599	4.9
139.11186	28.8
141.06995	5.4
143.08539	7.8
145.10098	18.2
147.11678	17.3
149.09644	15.1
149.13315	5.7
155.08597	4.6
157.10143	6.7
159.11708	14.5
161.13251	9.3
163.11177	10.0
166.07678	5.4
169.10118	6.0
171.11729	10.7
173.13313	10.9
175.11339	4.8
177.12698	4.8
185.13283	11.8
187.14804	8.1
189.11241	9.2
189.12805	8.7
191.08527	9.2
191.14291	7.0
193.05063	8.7
193.10101	4.5
201.16446	5.3
203.12767	15.6
205.15871	9.5
217.14433	13.0
219.08084	15.7
219.11697	10.3
219.17546	6.2
221.15298	7.7
223.16943	9.2
239.10625	6.1
239.17998	5.5
247.07599	5.8
247.20537	5.2
257.19067	12.1
265.08569	21.1
275.20093	100.0
279.13864	22.9
293.21109	28.5
295.08023	23.0
307.13287	51.5
307.22757	10.8
311.83463	4.4
325.12781	16.7
325.18112	5.2
325.21643	8.8
325.27542	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99170	0.2
56.38727	0.2
56.43050	0.2
61.96930	0.2
69.94731	1.0
70.62296	0.2
98.20903	0.3
98.97565	0.2
100.11260	0.6
127.09058	0.2
134.68425	0.2
145.44719	0.2
160.88113	0.2
182.05791	100.0
183.06146	1.7
325.15302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.0
55.01874	34.9
55.05505	29.5
57.03439	35.8
59.40871	4.4
65.03941	7.4
66.78016	4.7
67.05505	76.0
69.03428	5.5
69.07073	32.5
70.75665	14.2
71.04966	6.2
79.05495	59.4
81.03407	14.5
81.07060	81.2
83.04982	42.1
85.06531	5.0
91.05483	72.1
93.07036	52.2
95.04961	67.5
95.08614	46.9
97.02895	12.0
97.06551	8.4
97.10146	7.1
98.07300	6.8
105.07040	61.1
107.04957	100.0
107.05637	8.5
107.08601	26.9
109.06517	38.9
109.10163	18.7
111.04436	12.7
111.08080	9.0
112.05228	14.2
113.05960	5.2
117.07033	36.8
119.04900	8.2
119.08591	32.3
121.06519	22.9
121.10158	15.5
122.07277	34.7
122.16136	4.6
123.04445	10.6
123.08056	8.8
128.06252	8.2
129.07065	13.7
131.08565	33.6
133.06493	18.0
133.10129	17.0
134.10892	5.3
135.08078	19.8
135.11671	11.7
137.09586	9.8
141.06979	9.1
143.08563	13.2
145.06511	24.9
145.10114	12.1
147.08046	32.7
147.11661	7.4
151.07605	9.1
155.08447	5.0
159.08025	5.6
159.11697	12.1
161.09608	26.7
163.11197	14.0
165.09050	9.6
169.10115	5.9
171.11673	13.3
173.13318	16.7
175.11176	10.4
187.14827	18.5
189.12819	5.6
197.13197	8.9
203.14278	6.6
205.15909	16.4
215.14339	15.3
233.15350	99.0
251.16481	19.4
290.18845	12.3
325.12903	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	325.1432
Annotation	6-Carboxy-5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene
Peak:m/z	Relative Intensity
53.14043	0.7
55.05517	1.0
57.07073	2.1
58.43944	0.8
67.05530	1.1
69.07084	1.1
70.30318	2.4
75.58898	0.9
79.05468	1.3
81.03430	1.8
84.95195	0.8
91.05485	2.5
93.07059	1.8
95.04972	2.8
97.06563	1.2
105.07025	2.5
107.08591	1.5
109.06505	1.0
117.06988	1.3
119.08574	2.3
123.11732	1.1
129.07018	1.3
131.08607	2.4
133.06456	0.8
133.10173	1.4
141.06985	1.2
142.07779	1.1
143.08546	2.5
145.06496	6.9
145.10118	2.3
147.08072	0.9
149.02333	2.2
152.06255	3.1
153.07008	1.9
155.08531	1.3
157.06516	0.9
157.10159	2.3
158.68962	0.8
159.08127	1.3
159.11636	1.5
161.05984	2.4
165.07001	6.0
166.07794	4.5
167.08586	6.4
168.09328	1.0
169.10106	2.9
171.08076	2.6
171.11647	1.7
176.06181	1.9
177.06886	1.0
178.07762	10.2
179.08492	8.2
179.09689	0.8
180.09334	1.8
181.10107	5.9
182.07283	0.8
183.08093	1.3
183.11713	1.1
185.09618	2.3
189.05447	9.2
189.07034	5.3
190.07751	13.6
191.08546	21.6
192.09235	4.1
193.04991	3.8
193.10127	10.8
194.07272	1.2
194.10912	2.5
195.08112	7.5
195.11658	4.0
196.08710	1.2
197.09674	4.7
197.13252	1.5
199.11336	1.0
201.16359	1.4
202.07846	1.9
203.08601	6.0
204.09320	6.2
205.10159	7.8
206.07306	1.3
206.10849	1.9
207.08086	1.9
207.11711	3.1
208.08894	1.4
208.12451	0.9
209.09613	10.0
209.13269	2.3
210.06392	0.9
211.11156	1.9
217.10146	1.9
218.07343	2.4
218.10898	3.6
219.08078	31.9
219.11583	14.5
220.08676	1.6
220.12546	3.2
221.09604	3.5
221.13242	1.8
222.06673	1.6
222.10284	1.1
223.07576	3.1
223.11159	3.3
225.09114	2.3
225.12775	2.6
231.07999	1.1
233.09569	1.6
233.13261	4.0
235.07648	1.4
235.11185	1.5
235.14784	2.5
236.08286	1.9
236.11803	1.0
237.09102	25.0
237.12682	4.6
239.10667	15.9
239.14375	1.3
240.11465	1.9
240.14946	1.5
241.08600	1.7
246.10472	3.0
247.07553	13.2
247.10147	1.2
247.11237	1.7
249.09128	2.3
250.06282	1.9
250.13356	0.9
251.14375	1.4
255.10155	0.9
261.12820	6.8
263.14197	2.1
264.07730	2.2
264.11548	1.8
265.08594	46.1
265.12030	3.3
266.08936	1.2
268.07303	1.3
269.11755	1.2
279.13806	81.4
279.16998	4.1
280.14258	2.5
280.17801	0.9
281.19086	2.4
282.08853	2.4
283.09668	6.9
283.13269	3.0
289.12250	2.0
297.15173	1.0
297.18463	3.8
307.13300	100.0
307.16626	3.6
308.13568	3.7
325.14297	20.0
325.17990	18.6
325.21771	1.8
325.26047	6.1
325.76276	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.2
55.01864	10.8
55.05495	9.8
56.96568	100.0
57.03443	26.6
60.95861	4.6
61.02932	57.0
67.05506	11.4
68.98624	3.9
69.03435	49.1
69.07070	70.6
69.52565	3.9
69.58936	4.4
69.89662	10.4
69.90073	16.1
70.06594	11.2
70.98117	5.3
71.04985	7.8
73.02901	25.8
74.36555	4.5
74.97613	5.9
79.05494	16.7
81.03437	13.4
81.07050	18.2
83.04974	6.8
84.08143	9.1
84.96020	4.9
85.02910	89.3
87.04453	6.5
91.05479	26.9
93.07050	30.9
95.04995	22.6
95.08619	9.5
97.02880	33.8
97.06551	22.7
98.21410	6.2
98.97577	85.0
99.04462	10.2
105.03392	51.1
105.07034	24.1
107.04989	6.5
107.08598	20.3
109.02872	10.0
109.06526	5.8
110.97527	10.4
111.04412	6.5
113.02369	12.2
116.07045	5.2
116.98633	58.7
119.01886	12.8
119.04951	15.3
119.08589	13.9
121.06512	20.4
123.04447	12.3
123.08021	21.3
125.06002	16.3
126.02520	6.4
127.03907	35.6
128.02361	14.4
128.98619	17.3
129.07014	5.3
131.00204	11.3
131.08543	5.5
133.01645	4.9
133.03400	5.9
133.06549	5.3
133.10136	38.2
134.99663	28.7
135.03070	24.6
137.02844	8.4
137.05981	4.9
137.09612	6.1
138.10408	7.1
140.02293	5.7
141.05428	7.2
142.07776	7.3
142.96492	8.1
143.00180	4.9
144.03575	6.6
145.01712	10.7
145.04979	16.3
146.99649	18.8
147.04408	36.7
147.11687	19.2
149.01210	8.8
149.09644	5.2
154.04771	7.9
157.10172	12.0
158.99652	15.9
159.11732	8.1
160.08859	5.3
160.97647	6.9
161.01215	17.5
161.05930	9.8
161.09633	31.3
162.99159	5.6
163.02753	11.5
163.04340	13.2
163.11186	61.5
165.00702	9.4
165.05492	18.3
168.01880	6.1
168.03641	6.3
169.04945	7.3
170.99625	5.6
171.06548	5.7
173.01300	5.4
174.99153	8.6
175.09750	3.2
175.11179	94.0
176.03487	4.5
177.00706	19.0
177.02202	4.6
177.05510	6.8
179.00101	7.0
179.02451	4.7
179.10692	25.0
182.05809	38.8
183.02383	7.7
186.99080	5.3
188.97107	6.7
189.00681	12.3
190.03125	7.1
190.98831	5.5
191.02353	6.7
192.02896	10.9
193.00165	11.4
197.01218	55.5
198.01094	6.2
198.51295	6.8
199.03667	8.9
201.00754	12.4
202.98659	10.2
203.10693	29.1
204.02744	8.9
205.00209	8.0
206.98080	5.2
207.01726	8.8
212.56039	4.8
213.03366	20.6
213.53447	5.9
214.98828	5.8
215.02278	40.0
219.01793	15.4
220.02205	11.1
220.04222	25.2
220.54343	7.0
220.99615	8.0
221.11763	28.8
222.03917	11.1
223.01294	4.7
223.04707	6.6
228.02148	7.2
228.52255	18.3
229.02159	4.7
229.04669	9.9
237.02602	22.3
239.02318	31.4
239.13112	7.4
240.55611	5.8
244.07190	15.2
248.99194	6.7
251.04391	7.6
257.03418	7.0
257.14355	16.4
261.02948	8.6
262.03915	5.7
263.00821	10.2
267.00357	9.7
279.03543	4.4
281.01923	4.9
301.13342	9.9
307.08868	8.6
325.13248	9.5
342.99905	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	325.1395
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
50.37345	0.3
53.03939	0.8
55.01864	0.5
55.05503	0.5
56.05009	0.7
56.96562	5.6
57.03426	1.0
58.06593	0.4
60.04496	0.9
60.67166	0.4
61.02927	0.6
63.01674	0.4
63.28062	0.4
67.97501	0.4
69.03429	2.8
69.07061	2.8
69.30959	0.4
70.06595	3.5
70.50858	0.4
71.05000	0.6
71.51388	0.4
71.51778	0.5
72.08144	1.6
73.02898	1.1
77.10563	0.4
79.05495	1.1
80.16705	0.4
81.03410	1.4
81.07038	0.8
82.06592	0.4
83.06084	0.6
84.04515	0.7
84.08147	3.0
84.96004	0.7
85.02912	3.4
86.09702	0.8
91.05482	1.8
93.07024	1.0
94.36640	0.4
95.04967	1.1
95.06075	0.7
95.08566	0.5
97.02909	2.4
97.06505	1.1
98.97581	6.6
105.03381	3.1
105.07040	0.7
107.04939	0.8
107.08589	1.2
109.06482	0.5
110.07154	1.7
110.97564	0.5
112.08835	0.4
116.98618	3.2
117.05751	0.6
118.06525	4.2
119.04929	1.2
119.08586	0.9
120.08109	0.5
121.06510	0.9
123.04404	0.8
123.06686	0.7
123.08032	1.2
124.22605	0.4
125.05910	0.5
127.03899	1.3
128.98581	0.9
129.10226	1.2
133.07588	4.8
133.10118	1.8
134.99638	1.7
136.06180	1.0
136.07623	0.9
137.05992	0.9
141.05450	0.4
145.07605	100.0
146.08315	1.8
146.99614	0.9
147.04413	1.6
147.09157	1.0
147.11725	1.0
150.07764	1.0
151.03818	0.5
152.05688	3.0
153.06496	2.7
158.99637	1.3
161.01262	1.2
161.09622	1.0
162.05524	0.9
163.04999	14.6
163.08661	60.7
163.11162	1.6
164.09058	0.8
165.05487	0.5
175.11150	3.4
176.05664	0.8
177.00644	1.1
179.10715	1.1
190.95415	0.5
193.08301	5.2
193.09822	0.6
194.08202	0.7
197.01218	3.6
203.02097	0.5
203.10672	1.2
215.02238	1.9
219.01736	1.0
221.11766	0.9
228.01691	0.4
237.02827	1.3
239.02223	1.7
250.97423	0.5
257.03439	1.0
271.97662	0.4
287.05420	0.7
311.50751	0.4
325.13922	70.8
326.14108	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00111	0.6
53.03945	1.3
55.01872	23.4
55.05498	3.2
57.03424	0.9
57.07077	5.2
59.05003	12.5
67.05499	3.3
69.03432	5.5
69.07056	2.0
69.37672	5.2
70.06593	1.7
71.04977	1.7
72.08131	1.5
79.05482	2.9
81.03423	4.7
81.07062	3.7
83.04984	1.1
84.04498	1.9
84.08140	1.2
85.02890	1.9
85.06149	0.7
85.06554	7.7
86.09696	1.8
89.03938	1.1
91.05482	3.5
93.07039	3.3
95.04962	1.1
95.08621	3.4
99.04459	1.5
103.05454	0.9
105.03388	5.6
105.07021	1.6
107.04973	3.3
107.08577	2.8
109.02835	1.0
109.10140	2.8
110.06012	1.0
111.08070	0.9
111.79816	0.8
115.05444	0.9
117.03370	0.9
117.07059	0.8
118.06525	1.5
119.04934	0.8
119.08599	1.6
120.08090	1.0
121.02877	2.1
121.06517	4.3
121.10162	1.7
122.03657	1.0
123.11688	1.2
127.03947	1.0
133.02864	7.5
135.04396	5.7
135.08015	0.9
137.05960	3.0
137.09552	0.7
145.07539	1.3
147.04411	2.2
147.09175	1.9
147.11694	1.1
149.06000	12.1
150.06680	1.0
151.03886	3.0
159.11693	0.8
162.03082	1.2
163.03903	72.3
163.07541	4.0
164.04332	1.5
165.05460	1.6
165.06889	0.9
173.07092	2.2
175.03900	2.3
175.08791	1.7
177.05466	16.5
177.06799	0.8
181.04932	1.4
186.03130	0.9
191.06464	0.9
191.08168	14.6
201.05472	2.0
205.04959	100.0
206.05385	2.4
207.06519	1.4
219.10167	2.1
222.06789	0.8
223.05998	22.0
233.06006	1.1
241.53716	0.7
247.07198	0.9
247.09665	15.1
250.06284	1.4
261.11008	0.7
265.08612	2.5
289.10782	2.3
292.07236	1.7
293.08112	2.3
307.09335	1.6
307.10236	1.0
307.12802	6.2
325.07053	1.5
325.10123	1.3
325.13791	4.7
326.19577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2896
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
52.93753	0.8
55.05503	5.1
57.07061	1.4
60.36016	0.8
62.06089	100.0
67.05180	1.3
67.05504	14.9
69.07072	5.1
71.26311	1.7
79.05486	3.6
81.07056	15.2
83.08609	2.9
91.05489	1.8
93.07029	3.7
95.08602	12.3
95.29456	0.9
97.10154	1.2
107.08620	2.5
109.10161	5.1
119.08594	1.9
121.10145	1.8
123.11751	1.4
141.85089	1.0
147.11658	1.1
153.63937	0.9
175.14755	1.0
184.58031	0.9
245.22597	1.5
294.07721	1.4
306.27881	2.8
307.26379	3.9
324.12149	1.1
324.28958	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	325.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.4
51.02368	0.7
53.03712	0.4
53.03944	4.5
53.90985	0.2
55.01865	0.7
55.05511	0.4
57.03419	0.3
65.03955	0.2
67.05492	0.6
69.03419	0.4
69.07055	0.4
70.06593	1.2
70.82478	0.7
72.08150	0.5
77.03918	1.3
79.05463	0.6
81.03403	1.2
81.07047	0.5
81.43675	0.2
83.04993	0.3
84.08131	1.0
85.02895	0.5
86.09713	0.4
89.03931	0.3
91.05476	2.7
93.07032	0.6
94.06561	0.2
95.04965	7.6
95.08540	0.4
97.02891	0.3
97.06519	0.3
99.04424	0.3
103.05462	0.3
105.03387	100.0
105.04529	2.6
106.03728	1.5
107.04923	0.4
107.08586	0.7
111.04456	0.2
119.04962	0.5
119.08579	0.4
120.08049	0.3
121.06541	0.4
121.10160	0.5
130.06520	14.9
131.06905	0.4
132.04446	2.7
133.02853	2.3
135.04417	0.6
135.08046	0.5
137.05943	1.1
147.04433	0.2
148.07565	0.3
149.06013	0.3
151.32520	0.2
157.07605	26.1
158.06010	7.8
158.07954	0.5
158.21764	0.2
160.07559	0.5
162.05531	0.4
163.03938	1.0
163.07565	1.0
165.05489	0.4
175.03860	0.3
175.07150	0.5
175.08669	9.2
177.05528	0.4
185.07086	4.8
186.05504	0.4
193.04927	0.3
201.05450	0.5
203.08145	15.7
204.06596	0.3
204.08432	0.5
222.04039	0.3
233.05943	0.4
261.10242	0.8
263.11783	6.0
263.14474	0.4
265.08545	0.3
270.73380	0.2
279.11191	0.6
289.09686	0.5
289.18161	0.3
293.08200	0.6
307.10739	4.9
325.06912	1.4
325.11304	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02606	6.2
55.01863	20.4
55.05502	27.5
57.07057	13.0
65.03930	9.3
67.05505	62.0
69.03415	20.4
69.07068	63.1
70.06593	12.8
71.04964	10.0
71.11544	14.9
71.68690	6.4
72.08136	8.5
77.03931	8.3
78.71682	6.7
79.05497	40.2
81.03415	24.0
81.07050	77.0
84.08126	9.9
85.02898	9.2
85.06553	60.4
86.09709	9.4
89.03933	11.7
91.05467	43.3
93.07054	42.9
95.04938	15.5
95.08615	54.5
97.06525	15.1
97.10149	10.9
102.29930	6.5
103.05476	6.1
105.03388	18.3
105.07035	33.0
107.04907	6.4
107.08590	42.0
108.08123	7.7
109.02872	8.4
109.06507	12.7
109.10139	37.8
111.08051	23.0
112.96548	6.7
115.05460	17.0
119.04926	14.6
119.08628	14.6
121.02846	9.3
121.10130	21.5
123.11713	33.3
124.07550	12.0
125.09643	11.2
131.04927	21.1
133.02835	63.7
133.10089	13.0
135.04411	24.6
135.08035	16.1
135.11670	21.1
136.07562	12.4
137.05977	37.0
144.04340	8.3
145.06493	11.1
145.10094	12.3
147.04396	25.5
147.11642	16.6
148.52808	7.4
149.05959	17.3
149.13234	11.9
150.06775	11.1
151.03934	16.2
158.03648	6.5
159.04497	14.7
161.05922	8.9
162.03033	10.2
163.03903	100.0
163.07564	16.0
163.11208	14.2
165.05475	8.7
165.07001	10.5
165.12700	10.2
173.05946	12.5
175.03932	37.5
175.11278	8.7
175.14870	7.6
176.06161	11.9
177.05353	13.9
177.06944	14.0
181.04951	12.8
186.03136	16.1
187.03905	20.8
187.07539	35.6
189.05498	12.5
190.04982	20.4
191.03346	11.9
191.08284	8.0
194.07251	14.6
201.05444	45.0
201.09175	17.5
203.03333	18.9
203.06961	7.2
204.03975	8.6
205.04878	67.5
205.06557	39.0
211.07520	8.8
221.06006	18.7
222.06778	25.3
229.08542	50.0
233.04384	27.2
233.06049	24.2
234.06596	7.3
237.09039	30.6
243.10205	7.9
247.07565	10.2
249.05475	19.2
250.06285	35.4
264.07855	16.2
265.08612	44.5
266.09390	8.2
267.06497	13.4
271.09595	16.1
277.04898	11.7
278.05731	19.8
279.10406	10.5
289.10565	24.1
289.24957	9.8
292.07343	33.1
293.08127	56.4
295.06076	8.0
297.11356	10.3
307.09521	60.0
307.25894	9.4
316.45074	6.2
325.10641	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01865	0.7
55.05502	1.1
57.03414	0.3
57.07077	0.3
67.05505	1.3
69.07068	0.7
70.06600	0.5
70.86967	0.5
79.05504	3.5
80.05833	0.3
81.03391	0.4
81.07054	1.5
83.04974	0.3
83.08579	0.3
86.09719	0.4
88.29197	0.2
89.03957	0.2
91.05486	6.3
93.07047	1.1
94.07359	0.3
95.04981	0.9
95.08630	1.4
96.08970	0.3
97.06498	0.3
97.10213	0.4
105.03428	1.4
105.07074	1.5
105.49010	0.2
106.06567	9.6
107.04984	0.7
107.08596	1.0
109.06524	1.3
109.10161	1.0
110.10541	0.3
111.08089	5.1
111.08782	0.4
112.08428	2.9
114.39222	0.2
116.04985	4.9
119.06075	0.5
119.08573	0.8
121.10159	0.7
123.08046	0.4
123.11709	1.0
124.12080	0.3
125.09642	0.4
130.06555	1.8
132.04449	0.6
132.08131	0.9
133.10141	0.5
134.06024	100.0
135.06412	1.6
135.08015	0.3
139.11166	0.2
147.11696	1.8
149.30182	0.2
160.07608	4.2
161.05893	0.3
173.10764	29.3
174.11105	0.9
177.03395	0.3
177.05487	0.3
190.05168	0.3
191.11809	7.1
192.12158	0.3
203.18002	1.1
222.06766	0.4
242.55273	0.2
260.14761	0.2
263.16449	0.6
275.11899	0.3
292.10718	0.3
293.07874	0.3
306.25302	0.4
307.09512	0.5
309.10074	0.4
324.09058	0.4
324.12729	2.1
324.16644	2.3
325.10641	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	11.5
57.07072	3.8
58.99581	3.0
59.80385	2.9
65.03918	2.8
67.05502	26.3
69.07072	20.6
70.06586	4.6
71.53499	3.1
76.02176	2.8
79.05494	21.3
80.22508	2.1
81.07058	48.7
83.08590	6.9
86.09710	61.8
88.02173	2.6
88.03972	5.7
91.04977	3.3
91.05482	40.7
93.06504	3.2
93.07045	47.0
95.04939	4.2
95.08608	68.7
105.00044	2.4
105.03394	4.3
105.07034	88.0
107.08590	46.4
109.06496	7.5
109.09482	3.1
109.10161	45.9
117.06974	3.8
119.08581	77.2
121.10136	29.7
122.02767	11.2
123.08038	2.6
123.11741	13.3
125.04250	3.7
131.08511	9.9
132.10196	20.5
133.10135	59.1
135.04434	3.5
135.11646	7.6
137.04160	3.0
144.08057	8.5
145.10135	18.6
147.10527	5.3
147.11690	100.0
149.13202	3.7
151.11186	25.3
151.59071	2.5
159.11620	7.8
161.13258	28.0
162.82773	2.3
175.11131	3.6
175.14804	13.0
178.13281	2.4
179.08879	6.3
201.16393	12.8
203.16046	5.0
203.17955	95.4
213.06876	2.3
235.15186	13.3
237.16588	3.3
260.20135	3.5
265.19482	3.0
278.21265	12.2
294.07361	2.9
299.92651	2.3
306.20422	3.0
307.09839	3.1
307.17157	10.2
324.12180	5.6
324.19815	85.4
325.20996	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	324.1229
Annotation	(-)-Eschscholtzine
Peak:m/z	Relative Intensity
62.87040	0.4
63.72153	0.3
64.40350	0.3
69.07080	0.6
87.13916	0.4
98.20725	0.8
130.71489	0.4
147.40933	0.4
148.87996	0.4
150.05473	0.7
178.74533	0.4
228.06534	0.7
246.46806	0.4
250.08586	0.8
252.06712	0.9
256.06036	1.9
266.08115	5.2
268.06067	5.8
277.07059	0.4
280.09650	1.5
281.10501	0.6
291.08887	1.4
292.09698	3.6
294.07608	69.7
295.08023	3.2
306.11282	1.1
308.09167	1.6
309.09958	5.9
317.89621	0.5
324.12305	100.0
325.12646	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	324.1228
Annotation	(-)-Eschscholtzine
Peak:m/z	Relative Intensity
51.37125	0.3
62.06078	0.7
67.05505	0.7
70.49017	1.0
105.07138	0.3
146.06087	0.4
212.06982	0.4
216.06557	0.5
238.08562	0.5
239.05801	1.0
240.06386	0.3
241.07246	0.7
242.04523	0.9
242.07980	0.5
248.07089	0.4
250.08592	0.7
252.06221	0.4
254.08127	2.2
255.05315	1.4
257.06699	0.8
258.07678	1.0
263.09409	1.6
266.04648	1.7
266.08075	2.5
267.05307	1.6
267.08755	0.6
268.06058	0.7
268.09723	0.5
270.07568	7.5
274.08759	0.7
278.11783	1.4
280.06097	4.2
280.09396	0.6
281.06805	3.5
281.10498	0.8
282.07614	3.0
282.11209	1.3
283.08301	0.5
291.08908	3.1
292.09558	0.9
294.07578	19.0
295.08331	5.1
296.09134	0.8
296.12781	1.5
306.11230	4.6
307.11615	0.6
308.09146	0.8
309.09937	9.4
310.10349	0.5
311.21033	0.3
324.12286	100.0
325.12604	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	324.1594
Annotation	Caulitenin
Peak:m/z	Relative Intensity
51.02364	0.5
53.03754	0.2
53.03947	2.7
55.01866	0.6
55.05503	0.5
57.07054	0.5
60.04518	0.4
67.05500	0.9
69.03421	0.6
69.07074	1.4
70.05221	1.1
70.06583	0.8
70.07364	0.2
75.14342	0.2
77.03933	0.6
79.05492	0.9
81.03410	1.0
81.07044	1.8
83.04989	0.3
83.08578	0.2
84.04500	0.7
85.02902	0.4
85.06519	0.5
86.09695	0.3
91.05484	1.6
92.05804	0.2
93.07063	1.5
95.04965	5.2
95.05951	0.2
95.08621	1.1
96.08933	0.4
97.02892	0.3
97.06528	0.5
98.20820	0.4
105.03395	100.0
105.07031	0.7
106.03728	2.4
106.07341	0.3
107.04978	1.3
107.08580	1.4
109.02902	0.4
109.06525	0.4
109.10143	0.7
110.10519	0.3
117.03368	0.3
117.07049	0.3
119.04957	0.8
119.08582	0.6
120.08103	0.2
121.02891	0.3
121.10148	0.7
122.10494	0.4
123.11739	0.5
124.07613	0.2
124.73392	0.2
125.06050	0.3
127.03848	0.3
133.02866	1.2
133.10143	0.5
135.08075	0.7
135.11690	0.6
137.05931	0.5
145.02855	0.4
145.10156	0.5
146.03194	0.3
147.04434	0.4
149.05995	0.4
153.09033	0.3
162.05565	0.7
163.03947	0.7
163.07570	0.9
163.11263	0.3
169.02681	0.3
175.03931	0.8
177.05460	0.3
178.05910	0.3
180.14580	0.3
181.04977	0.2
186.02992	0.3
194.07344	0.3
201.05447	0.6
203.03391	0.4
205.04744	0.3
205.06595	0.5
207.06557	1.0
221.04256	0.3
222.04840	0.4
222.06862	0.3
228.07726	0.3
233.05957	0.4
235.07530	0.2
237.09081	0.3
240.10197	18.4
241.10620	0.7
249.05591	0.3
250.06310	0.4
261.05374	0.3
264.07843	0.3
265.08710	0.7
278.05811	0.4
292.07242	0.4
293.08145	0.7
306.25110	0.4
307.09595	0.8
309.07651	0.2
324.06342	0.4
324.09674	0.3
324.12958	0.4
324.18497	1.2
324.21658	0.3
324.26160	0.4
325.07309	0.3
325.10834	1.0
340.11948	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01846	0.3
55.05490	0.2
55.47764	0.2
56.05022	0.2
57.03441	0.3
60.04522	0.6
61.02920	0.4
69.03421	1.1
69.07067	1.0
69.49400	0.7
69.49834	0.7
70.06588	0.7
71.04983	0.3
72.08142	0.4
74.06091	0.5
81.03416	0.6
81.07050	0.3
84.08144	1.2
85.02908	2.8
85.08466	0.4
86.09687	0.4
89.03942	0.6
91.05464	0.7
93.07034	0.5
97.02873	0.7
97.06533	0.3
99.04435	0.3
105.03410	0.7
105.07014	0.4
106.06538	0.6
107.08611	0.5
116.04971	1.1
117.03379	1.0
119.04937	0.3
119.08621	0.3
120.08106	1.5
121.02843	0.2
123.08057	0.4
124.02722	0.3
127.03911	0.2
131.08171	0.3
133.10115	1.0
134.06004	0.6
145.02837	1.6
145.05000	0.3
147.04402	0.7
147.11650	0.3
159.07710	0.3
161.09660	0.5
162.05502	100.0
163.03877	0.8
163.05850	2.4
163.11145	0.7
165.05467	0.6
166.08676	0.6
175.11179	1.3
177.05467	3.0
179.10680	0.3
203.03778	0.3
203.10620	0.5
207.11397	0.3
221.11732	0.4
292.10043	0.2
308.54691	0.2
324.10663	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06602	0.6
70.30602	1.4
79.60256	0.3
82.17328	0.4
84.08129	0.6
86.09706	0.9
89.03918	7.7
95.04980	0.5
95.06093	0.4
98.06040	0.4
103.05447	0.4
105.03389	12.5
106.04221	0.5
111.73935	0.4
116.07086	1.3
117.03380	24.8
118.03741	0.6
121.06522	0.5
130.04965	1.1
131.08696	0.4
134.03642	1.8
135.04404	1.3
145.02843	58.0
146.03143	1.2
149.04805	0.6
149.05981	9.2
162.03122	0.5
162.05386	0.5
167.07043	0.4
177.05464	100.0
178.05803	3.1
180.13913	0.6
186.05431	0.8
196.09457	0.4
209.38741	0.4
220.09642	2.2
238.10797	0.6
243.62000	0.4
252.82979	0.4
324.15271	0.5
325.07037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
60.04500	1.1
67.05489	0.8
69.03393	0.5
69.07050	1.6
69.30956	0.4
70.06590	3.4
70.07846	0.6
70.08242	1.1
72.08140	1.4
79.05486	0.7
81.03410	0.6
81.07043	1.1
83.04952	0.5
84.04497	1.2
84.08133	1.9
86.09703	2.8
86.74747	0.5
89.03917	7.5
91.05476	2.3
91.92599	0.4
93.07021	1.1
95.04946	1.3
95.06082	0.5
97.06507	1.0
102.05502	0.5
103.05441	0.7
105.03389	4.6
105.07022	1.3
106.04169	0.5
107.08553	0.6
108.04415	0.5
109.02864	0.5
109.06521	0.8
110.43158	0.4
111.04446	0.5
116.07059	0.8
117.03376	25.1
118.03781	0.5
119.04913	0.5
119.08568	0.7
120.08096	1.0
121.06487	0.6
123.08048	0.8
124.07541	0.5
129.10231	0.9
130.04988	1.4
130.06593	0.6
131.05002	0.5
133.10098	1.3
134.03641	1.4
135.04381	1.6
136.07585	2.4
137.07910	1.7
139.05029	0.5
145.02844	54.8
146.03178	1.4
146.06023	0.4
147.04396	1.1
147.09129	1.0
147.11708	0.8
149.05977	9.1
154.08643	1.3
155.08929	1.3
157.10147	0.9
161.09604	0.8
162.05496	0.5
163.03880	0.7
163.11162	1.0
164.07053	1.8
165.05496	0.4
165.07420	1.5
175.11156	2.0
177.05466	100.0
178.05803	3.0
179.10619	0.9
183.08444	0.5
186.05466	1.2
195.11278	0.8
203.10718	1.2
220.09642	1.0
221.11688	0.9
229.71068	0.4
236.20174	0.5
238.10783	0.5
324.15582	2.0
324.22037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1078
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.03952	0.7
54.08678	0.6
60.04510	0.8
61.94065	0.6
64.84017	0.7
66.39122	0.6
69.03412	1.1
69.07059	2.9
70.06592	1.7
70.68407	0.9
70.68737	1.2
71.07597	0.6
72.08167	0.8
73.82095	0.6
74.60946	0.7
81.07063	1.4
84.04507	0.8
84.08142	0.9
86.09711	0.9
89.03914	0.8
91.05462	1.7
93.07022	1.1
95.04966	0.9
97.02904	1.0
97.06495	0.8
104.04284	0.6
105.07019	1.3
107.04908	0.8
107.08605	1.6
109.06492	1.0
117.03362	1.4
119.04931	1.5
119.08573	1.9
120.04472	0.7
120.08095	1.7
123.04424	0.7
123.08096	1.2
124.53340	0.7
125.05959	0.7
133.10118	2.7
145.02884	5.4
145.74719	0.6
147.04378	1.6
147.11717	1.0
149.06087	0.9
157.10095	0.8
160.08900	0.7
161.09662	1.7
162.05502	100.0
163.03899	2.5
163.05881	1.7
163.11186	2.1
165.05482	1.5
166.08641	1.1
175.11166	4.0
177.05487	8.5
177.24361	0.6
179.10605	0.8
203.10573	1.2
221.11694	1.0
233.65395	0.6
265.09912	0.6
315.79968	0.6
324.10895	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	324.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50015	0.3
51.02380	0.3
53.03941	0.7
55.01868	0.4
60.04533	1.2
63.02416	0.5
67.05495	0.6
69.03435	0.5
69.54492	2.1
70.06609	2.0
72.08179	0.8
78.04735	0.3
79.05484	0.5
81.03439	0.7
81.07074	0.4
84.04509	0.7
84.08150	1.2
85.02921	0.4
86.09715	1.5
89.03922	6.6
91.05489	1.3
93.03421	0.4
93.07027	0.4
95.05012	1.9
95.06096	1.2
98.06078	0.8
103.05484	1.2
105.03396	23.0
105.04533	0.6
105.06976	0.3
106.04237	0.4
106.06567	1.1
107.04993	0.4
107.08585	0.3
109.02940	0.3
110.06003	0.5
110.07180	0.7
112.08724	0.7
115.91274	0.3
116.07107	2.8
117.03381	20.2
118.31234	0.3
119.04939	0.7
120.08121	0.4
121.02880	0.9
121.06481	0.4
122.06057	0.4
129.10260	0.9
130.05006	1.1
131.04942	2.3
133.02849	0.6
134.03656	1.3
135.04431	1.7
136.07611	0.7
137.06009	0.4
145.02853	50.7
146.03180	0.9
147.04349	0.4
148.07568	1.0
149.05984	7.9
156.07692	0.4
158.06053	0.3
162.05510	0.9
163.03932	0.9
164.07036	0.5
165.07401	0.6
167.03401	0.3
177.05476	100.0
178.05815	3.2
179.03336	0.6
181.09341	0.3
184.06033	0.9
186.05499	1.1
192.10280	0.5
195.11630	0.3
202.07115	0.8
206.92160	0.3
207.02988	0.6
216.10175	0.6
220.09692	6.0
238.10735	2.4
268.07260	0.5
288.16122	0.5
296.06677	0.8
297.07758	0.7
324.22379	1.2
325.07047	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.01868	15.3
55.05511	39.3
57.03424	8.3
57.07073	2.8
58.91690	2.5
65.03919	3.1
66.69888	3.1
67.05502	74.6
69.03415	12.6
69.07068	26.6
69.59121	7.3
69.59549	14.7
71.04980	6.4
79.05069	4.8
79.05488	58.4
81.03397	6.4
81.06595	5.7
81.07053	100.0
83.01308	7.5
83.04977	32.8
83.08610	15.8
83.34422	2.7
85.06526	9.9
88.39333	2.9
88.78767	2.6
91.05478	66.1
93.07040	66.4
95.04958	20.6
95.08609	42.3
97.06510	12.6
97.10191	6.1
103.05499	2.9
105.07028	59.8
107.04964	17.6
107.08595	54.6
109.06509	13.9
109.10149	57.8
111.04435	9.7
111.08076	13.4
113.09648	2.8
115.07596	3.2
117.06990	13.4
119.08561	22.0
121.06515	12.5
121.10155	18.5
123.04417	5.9
123.08067	7.8
123.11679	17.8
125.05983	4.6
125.09652	2.9
128.06166	3.7
129.06989	9.8
131.08574	18.3
133.06508	15.3
133.10124	88.8
135.08051	10.9
135.11684	10.8
137.05975	7.5
137.09579	5.5
139.07533	11.7
143.08524	9.5
145.10103	16.2
147.08058	9.8
147.11670	9.0
149.09596	14.2
151.11179	94.6
157.10120	8.7
159.08046	5.4
159.11681	7.0
161.09650	19.7
161.13275	5.5
163.11150	5.6
165.09201	3.1
171.11681	8.9
173.09650	3.4
175.11188	8.2
177.09084	9.3
177.12807	3.0
179.10637	10.9
183.12267	4.6
183.13763	29.1
189.12717	7.5
195.11658	4.5
199.11176	4.4
203.14313	3.6
217.12411	4.4
223.13358	4.1
227.17830	7.6
229.14229	5.2
245.19019	22.2
255.17441	6.8
263.20050	23.4
273.18478	43.8
291.14499	3.4
291.19528	80.7
294.07672	13.5
297.09628	3.0
305.21146	15.9
323.22229	53.3
323.26135	8.6
324.12332	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39178	0.8
51.67604	0.8
53.03927	1.3
55.01872	14.8
55.05507	5.3
57.03431	0.9
57.07068	1.7
67.05502	11.1
69.03429	11.3
69.07067	11.2
70.06568	1.3
71.01350	0.9
71.04979	2.4
72.08153	0.9
73.00417	0.8
79.05498	6.8
81.03421	4.3
81.07056	19.6
83.04993	5.1
83.08611	3.6
84.08142	1.8
85.02914	1.1
85.06541	5.1
86.09695	1.6
89.03944	1.4
91.05484	8.8
93.07043	10.7
95.04977	5.2
95.08611	16.2
97.02902	1.2
97.06540	5.6
97.10141	2.5
99.08078	2.1
105.03390	3.0
105.07034	8.1
106.06540	3.7
107.04941	2.7
107.08598	8.0
109.02847	1.3
109.06502	3.0
109.10161	12.1
111.04440	1.9
111.08082	100.0
111.11700	1.0
112.08403	2.8
116.04998	2.0
117.03373	4.1
117.07037	1.9
119.04932	1.0
119.08572	7.7
121.02858	2.1
121.06494	2.3
121.10142	7.8
123.04409	1.0
123.08046	2.4
123.11716	13.2
125.09623	2.7
127.07511	2.1
128.06181	1.0
129.05508	1.5
129.07005	1.9
131.04987	0.9
131.08582	3.3
133.06461	1.3
133.10191	4.3
134.06018	44.9
135.04387	1.6
135.08052	2.1
135.11670	2.4
137.05998	5.1
137.09654	1.1
137.13199	1.6
139.11171	3.9
143.08545	1.2
145.02844	8.9
145.06482	1.2
145.10077	3.5
147.04416	0.9
147.11641	4.8
149.05930	2.4
149.09625	1.3
149.13260	2.8
151.07527	1.5
151.11188	1.7
155.08559	1.2
157.10158	1.6
159.08112	1.2
159.11620	1.6
160.07541	1.4
161.05991	3.5
161.09596	1.5
161.13277	2.4
163.03931	0.9
165.05498	1.9
165.12737	1.1
167.10675	3.8
171.11755	0.9
173.10765	13.4
173.13188	1.8
175.14786	1.5
177.05482	18.0
177.16351	1.7
185.45024	0.9
189.05322	1.2
189.16333	1.1
191.11797	3.9
193.04935	1.0
199.07471	1.6
203.03377	5.3
203.08607	1.9
203.17955	2.4
205.01288	5.0
207.17439	3.6
213.01105	0.9
221.04439	1.1
231.08060	2.8
232.08633	1.2
237.14810	1.1
248.08391	1.2
263.06943	1.4
263.10641	1.3
276.07758	1.0
291.10193	5.6
292.10596	1.2
294.07712	1.7
305.17529	2.1
305.24677	4.5
308.06436	1.0
313.00415	0.9
323.05450	5.7
323.09164	4.4
323.12943	4.9
323.18811	3.9
323.25836	3.7
324.05634	1.2
324.12357	3.6
324.16461	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.01874	12.2
55.05268	2.6
55.05514	33.7
57.03426	7.6
57.07077	3.4
61.08852	1.9
65.03929	2.6
67.05507	61.5
69.03418	6.7
69.07074	25.4
71.04977	7.8
71.08610	2.0
71.27660	3.7
79.05494	54.0
81.03405	3.8
81.06590	4.0
81.07058	71.0
83.01332	5.2
83.04977	24.2
83.08618	13.6
85.06532	7.6
91.05486	50.2
93.06485	3.5
93.07048	58.5
95.04968	15.2
95.08608	38.0
97.02887	3.8
97.06519	9.4
97.10179	9.9
97.10705	1.9
99.42734	1.7
103.05495	1.9
105.07030	48.4
107.04962	13.9
107.08588	40.2
109.02907	2.5
109.06517	13.1
109.09476	3.2
109.10165	40.1
111.04409	8.7
111.08065	16.8
117.07005	12.0
119.08581	23.3
121.06514	18.3
121.10143	16.1
123.04439	6.8
123.08076	10.3
123.11668	10.1
125.05988	3.7
128.06221	3.8
129.07002	7.1
131.08571	19.4
133.06482	13.2
133.09120	3.2
133.10132	67.9
135.08044	6.4
135.11694	11.0
137.05956	6.2
137.09624	7.3
139.07574	9.9
139.11139	3.0
141.06990	2.6
141.09079	2.5
142.07808	2.8
143.08591	8.2
145.06465	2.7
145.10109	16.6
147.08061	14.5
147.11711	9.5
149.09654	12.9
149.13193	4.0
151.07573	4.3
151.11188	51.7
156.09431	2.1
157.10114	7.3
159.08090	3.6
159.11667	6.6
161.09641	15.3
161.13248	7.8
163.11180	6.7
163.29205	2.0
165.09116	3.4
165.12827	3.1
167.10683	2.1
171.08167	2.0
171.11685	7.9
173.13252	1.9
175.11226	8.7
175.14774	2.1
177.09167	4.7
177.12712	3.3
179.10664	9.0
179.14255	3.1
181.08640	2.6
183.12268	2.3
183.13806	17.0
185.13237	4.6
187.11147	1.9
189.12737	8.0
193.12250	3.3
195.11670	3.6
197.13216	2.1
199.11151	4.2
203.14285	3.7
207.13858	3.3
213.12726	3.6
213.16606	1.8
217.12157	3.7
220.28256	1.8
223.13376	2.3
227.17923	4.2
229.14342	4.3
233.15555	2.6
235.11095	3.2
235.13181	3.2
240.04271	1.9
245.18974	18.1
246.83496	2.1
255.03685	2.0
255.17471	4.4
263.20047	20.9
273.18484	49.4
277.15851	3.4
277.21448	1.9
291.19534	100.0
292.19720	2.7
294.07663	5.8
305.21234	10.6
323.16251	3.2
323.22278	41.4
324.12332	16.1
324.22415	2.7
326.05777	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.4
55.05267	3.0
55.05514	36.1
57.03442	3.7
57.07064	2.3
67.05512	23.1
69.03425	6.2
69.07071	22.2
69.93579	7.6
73.02895	1.9
75.17864	1.7
79.05495	23.1
81.03422	3.4
81.07053	25.8
82.32600	2.1
83.04965	3.3
83.08631	18.1
89.05428	2.1
91.05474	11.3
91.31127	2.0
93.07053	16.9
95.04976	7.0
95.08612	25.6
97.06527	2.1
97.10180	32.1
105.07034	10.7
107.04964	5.6
107.08604	18.7
109.06503	2.9
109.10155	8.9
117.07017	6.2
119.08578	11.8
121.06507	3.2
121.10152	7.1
123.08082	12.2
123.11694	2.5
125.09650	23.5
129.07010	3.0
131.08577	8.7
133.06499	3.5
133.10143	6.1
135.08066	7.6
135.11737	3.6
137.09631	2.8
145.05128	2.1
145.10144	5.8
147.07982	3.9
147.11722	3.7
148.66370	1.8
153.09033	3.5
157.10138	2.7
159.11739	3.2
162.10373	2.0
163.11188	2.3
165.09222	3.6
175.11171	2.7
193.12238	4.9
203.12814	14.7
207.11620	2.6
223.13370	8.8
263.20328	2.0
273.18478	12.3
277.12207	2.4
291.19562	100.0
292.09589	2.3
292.19879	2.7
294.07639	24.5
305.11731	4.4
305.21146	23.4
319.46661	2.0
323.22714	11.8
323.25925	10.8
324.12292	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01299	0.2
53.03942	0.4
55.01877	0.7
55.05513	2.6
57.03434	0.4
57.07085	0.4
62.01592	0.2
63.02381	0.5
65.03934	0.3
67.05509	1.4
69.03428	12.5
69.07066	1.8
69.99058	0.3
69.99465	0.7
71.01352	2.4
71.04984	0.8
72.08144	0.2
77.03928	0.4
78.04713	0.5
79.05495	1.1
81.03410	0.5
81.07058	3.1
83.04979	7.5
83.08613	0.4
85.02903	1.9
85.06544	0.5
87.04460	0.3
89.03912	6.0
90.04243	0.2
91.05482	1.4
93.07034	1.9
95.04971	0.6
95.08606	2.7
97.06536	0.6
97.10172	0.3
99.04466	0.4
99.08073	0.3
101.06052	0.2
103.05475	0.4
105.03400	0.4
105.07023	1.3
106.04161	0.4
107.04959	0.4
107.08580	1.3
109.02882	0.4
109.06506	0.8
109.10158	1.7
111.04441	7.3
111.08076	4.2
111.11708	0.3
117.03379	22.2
118.03693	0.5
119.04990	0.5
119.08572	1.0
121.02847	0.2
121.06498	0.4
121.10136	1.5
122.06062	0.3
123.04459	0.2
123.08056	0.3
123.11686	0.9
125.09612	0.3
127.11208	0.4
129.05472	1.8
131.08562	0.4
133.06540	0.3
133.10130	0.9
134.03635	1.6
135.04401	1.6
135.11703	0.6
137.05968	1.5
137.07829	0.2
137.09631	0.3
137.13211	0.5
139.11185	0.6
143.08554	0.3
145.02841	54.1
145.10118	0.4
146.03192	1.4
147.04405	0.3
147.11682	0.4
149.04781	0.5
149.05977	8.1
149.09613	0.3
149.13269	0.5
150.05467	1.5
151.03816	0.2
151.11217	0.4
158.05989	0.5
159.11694	0.4
161.05972	0.9
162.03140	0.3
163.03912	0.9
167.10687	0.4
169.10207	0.2
175.14815	0.3
177.05464	100.0
178.05814	2.5
181.12175	0.3
186.05490	1.8
189.16463	0.3
190.10562	0.6
195.06476	0.4
199.07588	0.3
203.03365	0.7
203.08638	0.3
207.17435	0.3
219.08064	0.3
220.08922	0.2
231.07973	0.7
237.14931	0.3
243.10181	0.2
245.98401	0.2
248.08377	0.3
259.07455	0.3
291.10114	1.1
292.11197	0.3
295.09494	0.2
300.99905	0.2
305.17523	0.2
305.24719	1.2
308.06882	0.2
308.10474	0.2
323.11447	4.2
323.18634	0.7
323.25845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01872	4.9
55.05512	28.1
56.60232	0.8
57.03431	2.0
57.09615	0.8
59.99897	1.0
62.05845	0.7
62.06093	9.6
63.06409	1.2
64.77290	0.8
67.05505	19.2
69.03433	4.6
69.07070	16.4
69.20467	7.0
69.20883	2.0
70.24488	1.0
71.04986	1.9
71.60789	1.0
72.51876	0.8
79.05497	13.6
80.81181	0.9
81.03426	1.7
81.07063	15.6
83.04984	2.7
83.08627	13.9
91.05488	8.9
93.07040	14.0
95.04983	7.1
95.08611	10.0
97.02891	2.3
97.06524	2.5
97.10172	20.6
105.07025	8.8
105.37202	0.9
107.04970	5.0
107.08592	11.8
109.02827	1.1
109.06515	2.0
109.10149	4.9
111.08054	1.4
116.18636	0.9
117.07004	5.5
119.04942	1.4
119.08599	6.7
120.68839	0.9
121.06498	2.0
121.10142	4.2
123.04379	1.0
123.08082	4.9
123.11715	1.1
125.09629	18.7
129.06981	2.4
131.08600	5.0
133.06474	2.9
133.10114	2.8
135.08081	4.1
135.11732	1.2
137.09602	1.3
143.08568	2.3
145.10089	2.4
147.08066	3.3
147.11713	3.0
149.09592	1.6
149.13356	1.1
153.09111	2.9
157.10107	1.6
157.12221	1.5
159.07997	1.1
159.11758	0.9
161.09621	2.5
162.10413	1.6
163.11145	1.5
165.09123	2.1
171.11617	1.2
173.13297	1.1
175.11203	2.1
183.11710	1.2
189.11235	1.1
203.12776	9.7
223.13257	7.7
245.18991	1.1
249.14914	1.5
255.17523	1.6
263.20184	1.9
273.18527	7.2
291.19540	100.0
292.19867	4.0
294.07639	2.2
305.21106	27.0
306.21396	1.3
323.22531	6.5
323.25717	1.6
323.27750	1.2
324.12244	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	323.076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.0
55.01869	5.5
55.05519	1.3
57.03447	1.0
60.04513	0.8
61.01826	0.7
65.03924	1.3
67.05505	1.1
68.99773	1.0
69.03416	1.6
69.07051	1.3
69.54089	5.7
70.06581	3.4
71.01322	0.9
71.04998	1.6
72.08147	1.9
77.57027	0.9
79.05484	2.3
81.07042	1.4
84.04487	1.4
84.08113	2.3
84.94419	0.9
85.06490	1.0
86.09701	3.5
91.05470	11.5
93.07021	1.7
95.04954	1.3
96.06487	0.8
97.02891	1.5
98.20716	1.5
100.75084	0.9
103.05462	2.5
103.12044	0.9
103.81664	0.8
103.96183	0.9
105.03387	6.4
105.07024	9.2
107.04954	19.3
107.08640	1.0
109.02848	0.9
111.08084	1.1
115.05462	1.9
119.04124	1.3
119.04946	26.3
120.08066	1.1
121.02831	2.4
121.06553	1.5
121.10117	1.3
123.04443	2.1
129.10278	1.1
131.04927	10.3
133.02861	17.7
133.06488	22.2
133.10164	1.3
135.04407	5.8
135.11551	0.8
137.05989	1.9
145.02798	1.6
145.06454	1.8
147.04410	100.0
148.04776	1.5
149.05943	5.4
158.37221	0.8
159.04399	3.2
161.02324	12.3
161.05984	28.0
161.09608	2.4
162.06419	1.0
163.03871	0.9
171.04393	7.6
171.05637	1.6
173.05988	2.1
177.05435	3.8
179.03313	5.3
187.03886	10.5
189.05472	39.8
199.03911	12.8
205.04985	1.6
214.51869	0.8
217.04958	51.7
218.05313	1.0
235.05951	1.7
263.05518	38.8
263.41739	0.9
264.05728	1.4
287.13583	1.1
305.07047	1.2
305.14636	1.2
323.08505	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	323.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44599	0.6
55.01862	3.9
57.03430	0.7
58.77039	0.7
65.03940	0.9
70.06586	1.0
70.97306	1.4
71.01338	0.7
79.05492	1.0
81.60836	0.6
83.01314	0.7
91.05471	12.3
99.79900	0.7
103.05460	1.2
105.03388	5.8
105.07033	5.3
107.04942	16.1
115.05443	2.3
116.63812	0.7
119.04938	30.5
121.02856	1.9
123.04430	2.3
131.04930	9.4
131.36768	0.7
133.02841	11.8
133.06479	16.7
135.04399	3.3
145.06514	2.2
147.04402	100.0
148.04790	1.3
149.05925	4.0
152.88016	0.7
159.04391	2.0
161.02318	8.2
161.05969	21.5
171.04372	5.8
171.05612	1.2
173.05920	0.8
177.05510	1.9
179.03346	3.2
187.03883	7.0
189.05458	27.6
190.05811	0.7
199.03906	8.3
205.04977	1.6
217.04944	32.0
235.06027	1.3
247.10924	0.7
259.06268	0.9
263.05493	26.2
282.02841	0.7
289.93845	0.7
311.42346	0.7
323.07443	0.9
323.10831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10095	0.2
53.03961	0.3
55.01872	0.3
55.05516	1.9
57.03446	0.3
59.67759	0.3
63.02363	0.4
67.05497	0.8
69.03431	12.9
69.07061	1.0
69.51692	2.1
70.06586	0.3
71.01361	2.8
71.04992	0.9
78.04642	0.3
79.05490	0.6
81.03409	0.5
81.07052	1.7
83.04984	7.0
83.08578	0.3
84.08102	0.3
85.02901	2.3
89.03917	7.2
91.05489	1.0
93.07014	0.8
95.04960	0.7
95.08604	0.9
97.06515	0.3
97.10192	0.3
99.04459	0.4
103.05460	1.2
105.03379	0.5
105.07034	0.5
105.08389	0.3
106.04191	0.5
107.04961	0.5
107.08588	0.9
109.06555	0.3
109.10162	0.8
109.29147	0.2
111.04443	7.2
115.05465	0.4
115.65972	0.2
117.03381	24.1
118.03732	0.6
119.08577	0.7
121.06511	0.3
121.10132	0.5
123.11674	0.6
129.05486	1.6
131.04918	1.2
131.08546	0.4
133.10179	0.7
134.03629	1.9
135.04414	2.1
135.08257	0.3
137.05957	0.5
145.02846	52.3
146.03214	0.7
147.04437	0.5
148.07550	0.4
149.05989	7.4
149.13298	0.3
151.07495	0.4
158.06076	0.7
159.11684	0.4
161.06003	0.4
162.03038	0.3
163.03951	1.1
177.05472	100.0
178.05815	2.8
186.05507	2.2
195.06523	0.4
203.03381	0.8
231.08183	0.3
267.07178	0.3
291.10156	0.5
323.11340	4.2
323.18787	0.8
324.19604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04942	10.9
75.73605	5.0
82.21158	4.1
98.97591	11.6
100.39700	4.4
119.01954	5.5
124.61905	4.0
131.70860	3.9
161.02969	9.6
173.03030	6.7
182.05873	5.0
182.32478	4.3
203.04216	4.6
228.35649	4.4
233.05118	5.4
323.07437	100.0
338.09055	4.3
342.49222	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	323.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01880	5.3
57.03444	1.1
65.03926	1.7
69.03413	2.7
70.06585	5.2
70.68956	2.9
72.08139	3.2
79.05500	1.9
81.03400	1.4
81.07045	2.2
83.04960	1.0
84.08148	2.8
86.09700	2.3
87.98458	0.8
91.05479	12.9
93.07019	2.7
95.04955	2.7
95.08617	1.9
97.02924	1.1
103.05461	2.0
105.03377	5.7
105.07034	7.2
107.04955	20.0
109.02887	1.6
109.06538	1.0
115.05465	2.9
117.07047	1.3
119.04943	31.2
119.08578	1.2
120.08086	1.3
121.02847	1.1
121.06502	2.3
121.08457	1.4
123.04436	1.8
124.07514	1.0
129.10277	1.5
131.04932	11.1
133.02853	17.3
133.06488	23.2
133.10225	1.3
135.04424	5.4
136.07578	1.1
137.05957	1.4
142.07710	0.9
145.06494	2.8
147.04410	100.0
147.11613	1.4
148.04755	1.9
149.05971	3.7
159.04401	2.9
161.02339	11.2
161.05980	29.1
161.09593	1.6
163.03903	1.3
165.05423	2.0
171.04387	8.2
171.05617	1.4
173.06023	1.8
175.03972	1.1
177.05457	3.9
179.03453	5.2
179.04762	1.0
185.13434	1.0
187.03912	12.3
189.05458	41.8
191.11771	1.2
199.03888	11.6
205.04941	3.0
215.03430	1.1
217.04968	54.2
218.05342	1.2
235.05888	1.7
246.93118	0.8
263.05505	38.9
264.05780	1.2
277.07089	1.2
323.08978	1.4
323.15872	1.2
323.20132	1.2
343.76486	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.05511	5.5
57.07069	1.4
60.04528	1.3
62.06089	100.0
67.05503	16.6
69.07071	4.5
79.05489	10.1
81.07054	16.6
81.07533	0.9
83.08624	1.9
91.05480	4.7
93.07042	11.5
94.48548	0.4
95.04969	0.7
95.08609	12.4
97.10191	1.3
98.20808	1.4
105.07048	3.1
107.08585	6.9
109.10153	6.0
113.95479	0.5
117.07008	1.3
119.08546	2.7
119.82205	0.5
121.10154	4.3
123.08070	0.9
123.11722	2.2
125.09632	1.1
130.08617	0.6
131.08606	2.0
133.10141	1.9
135.11697	2.5
137.13326	1.0
145.10191	2.1
147.11688	0.9
149.13327	2.1
154.12332	0.5
159.11765	1.2
161.13275	0.9
163.11281	0.6
163.14897	1.5
171.08151	0.5
172.13402	0.6
173.13322	1.6
177.16449	1.0
186.15041	0.7
187.14902	1.0
200.16486	0.6
212.16811	0.5
214.18024	0.6
214.59900	0.5
226.18192	0.8
240.19673	0.9
243.21085	2.4
249.79602	0.6
261.22110	3.7
291.19550	5.0
304.26297	2.3
305.21231	1.4
305.24936	2.6
322.23737	0.9
322.27411	13.6
322.30957	0.9
323.27948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74199	1.2
53.03944	1.8
55.01868	1.6
56.96566	100.0
57.03428	4.0
57.82815	1.4
58.99874	2.5
60.95844	2.4
61.02932	6.9
66.73984	1.1
67.05486	1.8
69.03442	8.0
70.02940	1.6
70.03340	4.0
70.06596	7.8
70.98125	13.5
71.06926	1.6
71.95255	3.1
72.96042	2.0
73.02910	4.6
74.06039	1.4
74.97613	12.2
77.00915	5.0
81.03420	2.7
81.07053	3.4
83.08628	1.2
84.04536	1.5
84.08138	3.6
84.96028	5.7
85.02911	11.1
86.97600	4.0
88.99174	7.1
91.05481	2.3
92.98641	2.5
93.07059	3.0
95.01924	3.1
95.04959	2.7
95.08610	3.8
97.02899	7.7
98.03289	1.3
98.97583	89.1
100.99120	2.6
101.00877	1.6
101.05965	1.3
103.00674	1.5
105.03396	12.4
105.07079	1.3
107.00163	2.9
107.04926	1.2
107.08596	2.6
109.06536	3.1
109.10160	4.3
110.07130	1.3
110.97575	5.7
112.99130	3.6
113.02392	1.7
114.09169	6.0
114.97044	3.8
115.00677	1.4
115.09495	3.6
116.98622	73.5
119.00163	2.9
119.01910	10.7
119.04976	1.3
119.08582	2.4
120.02004	1.2
121.01679	3.3
121.06513	1.3
123.05625	1.2
124.95490	3.5
126.96982	1.3
127.03911	3.1
128.98615	13.7
129.03928	1.3
131.00172	9.3
131.01851	3.1
132.98073	9.4
133.01717	4.3
133.03453	2.3
133.10139	1.4
134.99655	51.6
135.08009	1.3
135.11603	1.5
137.02940	3.1
140.00220	3.1
142.96562	6.5
143.00153	3.8
143.01927	2.1
144.98116	5.4
145.01726	5.0
145.03494	2.2
146.99651	15.0
147.04373	1.6
149.01224	13.1
150.99156	29.5
153.00739	4.9
155.01932	1.5
156.98073	1.4
157.03490	1.9
158.01244	2.9
158.99675	10.9
160.09691	12.6
160.97598	5.3
161.01242	8.6
161.02965	4.5
161.10054	10.9
162.99171	5.0
163.02773	2.5
165.00787	12.3
167.02269	5.4
169.00189	14.7
170.96025	3.6
170.99644	3.9
172.02907	1.7
172.94327	2.5
173.01244	3.0
173.02963	3.5
173.06615	1.6
174.99185	10.3
175.02800	1.9
175.04446	1.4
177.00719	17.8
177.12671	1.7
178.04944	5.0
179.02261	5.2
181.03546	1.6
183.01704	2.6
184.97583	3.9
188.97078	24.3
189.00690	10.2
190.98619	4.9
191.02275	6.5
191.07632	4.3
193.00208	46.4
195.01753	3.7
196.04349	2.3
199.04533	2.5
200.02354	2.4
201.00670	2.3
202.98665	15.9
203.02304	3.7
203.03983	1.8
205.00191	2.5
206.98149	19.9
207.01759	5.8
207.05171	1.4
208.99678	3.9
209.03326	2.6
211.01271	6.8
212.97176	2.2
216.01756	3.8
217.00233	4.4
219.01718	7.8
220.99706	27.6
221.03290	3.9
222.68867	1.3
223.04556	1.5
224.99184	2.4
225.02951	2.5
226.00157	1.6
230.98154	23.6
232.99660	4.6
235.01288	6.9
237.02844	10.0
237.06158	3.1
237.13318	14.8
239.00694	13.4
244.01347	2.4
244.99747	12.1
245.02301	1.5
245.03091	1.6
248.99168	11.3
251.00708	1.8
251.04451	3.4
253.99646	1.6
255.03922	3.0
255.12244	1.6
255.14497	27.1
257.01868	1.7
263.00751	41.6
263.04028	2.0
263.11172	2.3
279.03857	2.0
279.12418	1.9
281.01788	31.4
281.05341	7.1
281.12500	8.9
286.02295	3.0
291.03784	1.9
297.13702	3.8
299.02841	11.4
299.13571	13.2
304.03412	2.5
305.01794	5.7
309.04974	1.7
322.14828	1.6
322.95898	3.0
323.02713	4.4
323.06454	8.7
323.12866	2.9
341.13776	3.1
341.23621	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	322.2012
Annotation	Croomine
Peak:m/z	Relative Intensity
53.03934	0.8
55.01852	0.4
55.05519	1.7
56.05033	0.4
65.03940	0.5
67.05137	0.4
67.05501	6.9
68.05031	3.0
69.03410	0.8
69.07066	1.6
70.06208	0.6
70.06588	10.6
71.04983	0.8
71.53171	0.5
71.64700	0.3
74.02414	0.5
79.05491	5.8
80.04996	1.1
80.06287	0.4
81.03393	0.7
81.07058	6.1
82.07402	0.4
83.04970	1.4
83.08625	0.6
84.08142	0.4
85.06529	0.6
91.05477	3.4
93.05779	1.2
93.07051	3.8
94.06565	1.7
95.04967	1.2
95.08604	3.7
96.08138	0.4
97.06518	1.1
100.07620	2.3
105.07021	2.4
106.06541	3.5
107.07325	0.6
107.08576	2.0
108.08109	2.3
108.08756	0.4
108.80592	0.3
109.02839	1.0
109.06523	0.4
109.10152	0.8
111.04416	0.4
113.41557	0.3
114.05522	4.6
117.07008	1.1
118.06557	1.1
119.07331	0.6
119.08569	1.7
120.08112	5.1
121.08878	0.7
121.10127	0.7
122.09630	0.9
123.08066	0.5
127.03924	0.4
128.07088	2.4
131.08521	1.0
132.08076	1.3
133.06512	0.4
133.08919	0.5
133.10138	0.8
134.09642	9.3
135.10410	1.6
135.11519	0.4
136.11177	0.4
137.04651	0.6
137.05986	0.5
140.07112	0.6
145.10123	0.7
146.09631	1.1
147.11626	0.5
148.11201	10.3
152.07004	0.7
152.10634	0.5
154.08630	1.3
157.10083	0.4
159.11671	0.7
162.12756	0.5
164.07057	7.8
165.07751	0.5
166.08636	0.9
173.13249	0.6
177.05550	0.4
178.08606	2.6
179.09386	0.9
180.10193	17.6
181.10339	0.4
192.10179	0.6
193.10966	0.9
194.08150	0.8
194.11731	0.9
195.13708	0.3
230.19090	0.7
258.18567	1.4
276.19583	8.7
292.48050	0.4
302.17429	1.3
304.11829	0.7
304.19064	17.5
305.19275	0.8
320.18661	0.4
322.20114	100.0
323.09131	0.6
323.12671	0.8
323.20560	4.6
333.54858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
56.33629	0.4
56.59650	0.4
58.06591	1.0
69.40316	3.9
76.84905	0.4
77.03972	0.4
79.05490	2.0
81.76735	0.4
88.13017	0.5
90.40212	0.5
91.05492	5.3
94.06539	1.2
95.04977	1.1
105.03394	0.6
106.06560	8.7
109.06471	1.0
111.42677	0.5
116.05000	4.5
117.07036	1.1
118.06532	0.5
120.04462	0.7
120.08126	0.6
122.06049	4.4
122.11338	0.6
130.06511	2.4
132.04430	1.1
132.08055	1.1
134.06018	100.0
135.06380	1.5
136.03964	1.2
143.07289	0.7
144.08086	20.7
146.06001	1.1
148.03934	1.4
148.07571	1.2
150.05501	10.8
158.06041	1.3
160.07617	0.8
171.09137	2.3
173.10733	1.3
177.10236	5.3
178.10915	0.7
189.10243	4.3
191.08083	0.6
191.11832	0.9
194.08229	0.5
203.03358	0.4
204.08073	0.7
205.09756	1.2
219.09135	0.6
220.07700	0.6
221.10751	0.5
232.07613	0.4
233.08405	0.5
234.09148	1.4
235.08588	0.7
236.09354	0.7
237.10193	0.7
247.08554	0.9
247.12299	0.9
248.09447	3.0
249.10301	0.9
250.07324	4.0
250.11107	0.8
251.11807	0.6
261.10306	1.1
263.11868	2.6
263.14301	0.6
264.08887	1.5
265.09760	5.9
265.13071	3.2
276.08887	1.4
279.11246	4.6
291.11252	4.3
292.11432	0.6
299.05994	0.6
304.14441	1.8
307.13159	1.0
322.11523	0.7
322.15475	15.5
323.09042	0.6
323.15793	0.8
323.63351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01884	0.6
56.05033	0.5
56.96308	0.9
56.96567	13.5
57.03426	1.5
59.07602	0.4
59.22210	0.4
59.46751	0.4
60.95844	0.8
61.02932	2.9
67.05482	0.6
69.03434	6.7
69.32805	4.1
70.06207	0.8
70.06593	15.7
70.98112	1.4
71.04979	0.6
71.95267	0.5
73.02914	1.7
73.61318	0.4
74.97596	1.8
75.88894	0.4
77.00874	0.5
79.82893	0.4
81.03423	2.5
81.07035	0.5
84.04492	1.0
84.08133	1.7
84.96038	1.0
85.02903	13.4
87.04475	1.3
88.07620	0.5
88.99156	1.0
91.03987	0.7
91.05469	0.9
93.07069	0.8
95.04963	0.8
96.08161	0.8
97.02888	5.4
98.20708	0.7
98.96936	0.7
98.97585	10.9
99.04456	1.2
100.99168	0.6
101.00893	0.5
105.03384	2.2
105.07028	0.8
109.02859	1.7
110.97531	0.7
114.05521	1.8
114.09168	37.4
115.00711	0.4
115.03954	0.5
116.98622	8.7
119.01913	2.4
119.08581	1.4
120.02035	1.0
120.08103	0.4
122.02147	0.5
124.95449	0.6
127.03925	3.0
128.98613	1.5
131.00168	0.6
131.01918	0.5
132.98090	1.1
133.01707	0.7
134.99667	5.7
135.09355	0.5
135.11722	0.5
140.00145	0.4
142.08635	5.0
142.96559	0.8
143.00180	1.0
143.01859	0.8
144.98140	0.5
145.05013	1.4
146.99617	2.6
147.04384	0.5
149.01227	0.9
150.99130	3.2
153.00677	0.6
158.99658	1.5
160.09691	100.0
160.97571	1.0
161.01184	1.0
161.02986	1.3
161.09970	1.2
162.99088	0.6
163.02705	0.5
165.00746	1.7
169.00204	1.8
170.99702	0.8
173.02953	0.6
174.99178	1.4
175.02681	0.5
177.00760	2.8
177.05984	0.4
178.12993	0.7
184.97665	1.1
188.97063	2.1
189.00677	1.7
190.98543	1.0
191.02301	1.1
193.00218	4.4
201.00713	0.7
202.98651	1.5
203.02347	0.8
205.00172	0.7
206.98195	1.5
207.01778	1.0
211.01308	1.2
212.97141	0.7
217.00246	0.8
219.01831	1.5
220.99695	2.9
221.05087	0.8
223.53528	0.6
230.98232	2.4
232.54027	1.8
235.01237	1.0
237.02896	1.0
237.13329	1.3
239.00720	1.4
241.54631	1.0
244.99654	1.3
248.99243	1.0
254.13120	0.6
255.14441	1.8
258.15256	0.5
263.00732	4.4
278.13022	1.1
279.03903	0.5
280.11032	0.5
281.01822	2.8
281.12204	0.6
296.14130	2.9
299.02798	1.8
299.13687	0.6
304.03494	0.6
304.13818	0.5
305.01932	0.5
317.12466	0.5
322.11691	1.4
322.15057	13.1
323.06516	0.8
340.13306	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01860	1.3
55.05501	4.8
59.04998	1.6
64.77808	1.2
67.05505	7.9
69.03419	5.3
69.07070	10.3
69.31365	10.3
70.06602	1.8
71.04997	5.0
79.05486	5.3
81.03419	3.2
81.07051	17.8
83.04979	3.5
83.08611	2.1
85.06538	2.4
86.09705	100.0
91.05447	5.0
93.07046	11.1
95.04970	4.0
95.08606	12.9
97.06535	3.2
97.10218	1.3
99.08119	2.0
103.05466	4.9
105.03411	2.5
105.07040	8.9
107.04942	2.9
107.08582	10.3
109.02851	3.1
109.06509	4.5
109.10152	8.8
111.08082	3.6
111.11694	1.3
113.25340	1.0
114.17931	1.1
119.08569	7.7
120.08103	98.9
121.06558	1.2
121.08458	2.2
121.10170	8.8
123.04427	1.2
123.08076	2.6
123.11681	9.5
125.09628	2.2
127.03909	1.2
127.11172	1.9
128.10712	50.5
129.11072	1.4
131.04935	1.5
131.08588	2.0
133.10129	4.6
135.08067	1.7
135.11731	3.7
137.09627	3.4
137.13318	1.3
139.07527	1.1
139.11156	2.1
140.56387	1.0
143.08638	1.2
145.02968	1.5
145.10138	3.5
147.04404	1.4
147.11655	6.0
149.06000	1.7
149.09633	2.0
149.13257	3.3
151.11159	2.6
153.12769	1.5
155.10655	1.3
156.10184	13.6
157.37839	1.1
159.11722	2.6
163.03899	2.1
163.11174	2.8
165.12813	3.1
166.08644	59.1
167.10709	1.1
173.13274	1.3
175.11201	1.5
175.14885	2.0
181.05023	3.0
181.48849	1.1
185.13155	1.4
199.14835	2.2
203.03433	1.9
217.15761	2.1
236.09016	1.1
273.92096	1.0
274.98572	1.2
285.22086	1.9
303.08527	1.0
303.23172	4.2
304.11795	1.2
321.07706	2.8
321.17145	1.7
321.24289	5.2
322.25714	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	321.1696
Annotation	Zearalanone
Peak:m/z	Relative Intensity
52.76806	1.9
53.03932	8.5
55.01860	11.5
55.05511	25.4
57.03424	4.4
57.07062	2.1
65.03917	5.3
67.05173	2.8
67.05505	32.1
69.03431	100.0
69.07063	15.6
70.06606	2.6
71.03952	4.6
71.05003	10.7
79.05497	33.0
81.03419	37.0
81.07065	43.1
81.64127	1.8
83.04498	2.7
83.04987	45.4
83.08617	20.6
85.02894	6.2
85.06532	5.2
91.05485	37.4
93.07044	36.2
95.04961	20.4
95.08613	23.5
97.02889	10.1
97.06536	12.9
99.04448	14.1
103.05445	2.4
105.07029	32.6
107.04969	9.1
107.08608	21.4
109.02882	17.3
109.06524	22.5
109.10136	14.0
111.04443	43.6
111.08091	10.5
117.07018	18.4
119.04996	2.1
119.08588	25.0
121.06522	13.1
121.10134	11.2
123.04363	2.9
123.08073	5.6
123.11707	6.4
125.05995	10.3
127.03901	14.8
128.06221	4.5
129.07018	13.7
129.09068	2.1
131.04930	3.3
131.08578	19.3
133.06511	11.4
133.10139	16.8
135.08040	9.8
135.11691	7.6
137.05959	3.7
137.09592	7.7
139.07533	4.4
139.11171	2.1
141.06963	5.1
143.08566	11.6
145.02827	7.8
145.06461	3.0
145.10103	17.2
147.04372	2.7
147.08049	8.5
147.11697	10.9
149.06004	4.6
149.13289	5.0
151.07545	4.8
151.11130	2.9
155.08603	3.9
157.06546	3.3
157.08708	4.2
157.10114	9.1
159.08057	6.2
159.11664	13.2
161.06000	2.2
161.09647	4.9
161.13252	4.5
163.07597	3.2
163.11145	5.5
163.14786	2.1
165.09113	6.7
165.12727	3.2
167.08463	3.7
169.10129	5.6
171.11722	5.8
173.09607	4.5
173.13226	4.7
175.09651	14.6
175.11169	6.8
175.14755	2.1
177.05467	11.4
177.12743	7.5
181.05006	1.9
183.11696	3.7
185.09647	3.2
185.13237	2.1
186.09122	2.1
187.11163	6.8
187.14836	2.0
189.09122	2.2
189.12756	8.3
191.10779	2.6
193.12276	5.8
197.09641	4.5
197.11612	2.3
197.13272	3.0
199.11218	5.6
201.09207	3.0
201.12764	4.6
203.10735	4.1
205.12262	6.0
213.11012	2.2
213.12878	3.8
215.12567	4.1
217.12224	4.8
219.13615	2.8
221.13344	2.0
223.13269	6.4
231.14021	2.2
235.13277	6.9
243.11792	2.5
261.14880	3.5
267.12048	11.2
275.16528	2.4
285.14587	9.0
285.22028	3.8
303.15573	14.2
303.23087	7.9
321.10626	7.2
321.16946	95.9
321.24219	12.4
322.17352	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	321.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.3
67.05499	1.9
69.03418	2.2
69.07055	1.9
71.05001	0.6
71.12337	1.2
77.81170	0.4
79.05498	1.1
81.03426	1.1
81.07052	4.1
85.06570	0.7
91.05496	2.9
93.07035	2.6
95.04962	1.6
95.08609	2.4
97.06513	0.7
103.05485	0.6
105.07038	2.3
107.08607	3.0
108.60515	0.6
109.02870	0.6
109.06494	0.9
109.10142	2.2
111.08055	0.9
115.05449	3.2
117.05753	0.5
117.07029	4.1
118.06541	49.5
119.04877	0.6
119.07363	3.0
119.08570	1.1
121.10133	1.5
123.08004	0.7
123.11707	1.2
125.09673	0.8
125.90995	0.5
126.48422	0.5
129.07004	0.5
131.08569	0.5
132.08090	1.0
133.10138	0.9
134.09651	100.0
135.09993	1.3
135.11707	1.1
135.38120	0.5
137.09602	1.2
142.06525	4.4
143.07303	5.0
144.04462	0.8
144.08076	23.6
145.10178	1.0
146.06007	94.8
147.06363	1.4
147.11632	1.1
151.11192	0.6
159.08125	0.5
159.11681	1.1
160.07571	1.2
163.03975	0.6
165.05464	0.6
165.12735	0.6
170.06020	7.7
174.09093	1.1
175.14842	0.6
177.05363	0.6
181.04893	1.0
188.07062	98.9
189.07379	2.2
192.10185	2.2
205.08434	0.5
261.14746	0.9
268.40927	0.6
303.23114	1.3
321.16019	12.2
321.24194	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	321.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	1.0
57.21074	0.3
65.03918	0.6
67.05476	1.0
69.03411	0.9
69.07040	0.7
70.06570	0.6
74.41512	0.4
76.89528	0.3
79.05479	0.6
80.24226	0.3
81.03404	0.7
81.07041	1.9
85.06494	0.4
87.95385	0.4
91.05483	9.5
93.07024	1.5
95.04922	0.8
95.08578	1.5
103.05492	0.5
105.03416	0.5
105.07010	1.3
107.04906	0.7
107.08577	1.2
109.02821	0.7
109.06490	0.4
109.10114	1.2
115.05428	0.5
117.06995	1.3
119.04948	26.2
119.08579	1.1
121.06506	0.6
121.10133	0.8
123.08033	0.4
123.11747	0.4
131.04900	0.7
131.08522	0.6
132.08096	8.6
133.10059	0.5
134.05984	0.5
135.11708	0.6
137.09622	0.4
143.07307	0.8
144.08086	54.4
145.06393	0.5
145.08380	0.8
145.10097	0.6
147.04410	100.0
147.11694	0.5
148.04799	2.1
149.13329	0.5
151.07510	0.7
157.10097	0.5
159.11668	0.5
163.03860	0.5
169.10133	0.6
173.10838	0.9
175.12309	30.6
176.12637	0.7
178.08720	0.7
181.04956	1.9
201.12962	0.3
215.11804	0.6
244.06042	0.4
246.06743	0.4
278.11908	0.5
290.11865	0.9
321.07800	0.5
321.11288	0.6
321.16693	9.3
322.09360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	19.1
55.05502	5.2
57.07078	18.9
59.04998	38.5
67.05499	4.8
69.07063	2.6
79.05457	2.8
81.07062	4.3
85.06543	54.6
87.04440	2.0
91.05476	4.0
93.07022	3.1
95.04961	2.8
95.08586	2.9
99.08056	1.8
107.04968	5.6
107.08607	3.9
109.10149	3.4
119.00525	1.6
119.08596	4.2
121.02882	1.8
121.06520	3.1
131.04909	2.2
131.08501	4.1
135.04431	4.9
144.08072	1.9
147.04396	5.7
149.06003	10.5
151.03920	5.5
159.04449	4.2
159.46313	1.6
163.03903	100.0
164.04321	3.8
173.02350	3.0
175.03915	2.6
177.05490	17.8
191.03470	2.0
201.05492	2.4
203.03368	9.7
205.04959	87.0
206.05460	1.7
213.95061	1.7
217.04893	3.0
217.08626	2.4
219.02892	5.6
219.10158	9.0
229.08606	6.4
237.07579	5.4
247.09657	64.3
248.09947	2.3
261.11240	1.9
271.09683	6.2
289.10706	24.1
290.11096	2.0
298.08353	2.3
321.09827	4.9
321.13419	3.6
321.25928	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01881	4.6
55.05506	8.4
56.05033	7.3
56.96564	16.1
57.03427	7.2
60.04523	8.7
61.02907	12.5
67.05502	12.3
69.03084	4.4
69.03431	37.5
69.07063	7.5
70.06595	39.9
70.40740	9.6
71.01364	2.6
71.04989	13.6
72.08150	12.9
73.02914	5.9
73.06556	4.4
74.06087	5.4
79.05479	7.7
81.03404	21.7
81.07051	21.2
83.04985	11.1
84.04492	8.5
84.04967	3.0
84.08142	17.3
84.96025	3.2
85.02907	76.8
85.06525	7.1
86.09712	9.7
87.04459	4.3
87.10034	4.5
91.03910	2.8
91.05483	5.9
93.07062	6.7
94.06571	3.4
95.04975	4.9
95.08610	47.1
95.28136	2.6
97.02893	20.9
97.06519	8.1
98.97576	19.3
99.04448	10.7
99.08109	21.7
100.03938	3.0
101.06023	8.2
102.05547	4.8
105.07075	4.3
106.41972	3.0
107.08565	5.2
109.02853	17.3
110.07175	9.4
111.08116	5.0
112.08778	4.6
113.09641	9.8
114.09170	3.4
115.08651	3.9
116.98635	16.0
119.08559	3.9
120.08083	10.7
121.56567	3.2
123.08066	41.3
127.03931	25.8
128.98605	5.2
129.10236	6.8
130.06548	5.0
134.05981	3.3
134.99654	9.0
136.07587	3.2
141.09100	100.0
145.04951	9.9
146.06119	3.4
147.04401	4.2
147.07903	3.0
147.11417	3.1
150.96834	3.2
152.07143	5.4
158.97392	4.9
158.99675	6.4
159.10152	36.3
160.07605	5.5
160.09734	3.8
161.01207	4.8
162.01782	3.0
162.96817	3.2
164.07112	5.1
170.99632	3.6
173.06012	4.6
173.12881	4.8
174.05560	4.2
174.13310	3.3
175.11943	3.2
177.00673	8.6
179.06999	4.4
186.07687	5.7
188.07144	3.2
191.07104	4.3
201.00626	4.9
219.01761	5.9
219.06619	3.8
224.10710	5.1
234.99013	16.2
237.02794	17.0
241.05443	3.0
265.05954	4.0
275.09174	8.3
279.07602	8.4
303.13348	8.2
321.05777	4.6
321.09000	5.2
321.14462	20.8
322.18750	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	321.097
Annotation	Antibiotic OS 3966B
Peak:m/z	Relative Intensity
50.80487	2.2
53.03941	3.9
53.10290	2.4
55.01874	17.4
55.05503	6.3
56.05050	14.2
56.08834	2.1
57.03437	2.7
58.66298	2.5
60.04522	4.2
63.25675	2.6
65.03931	4.2
67.05496	6.3
68.05035	2.6
69.03420	16.7
69.07063	9.8
70.06593	72.6
70.07635	2.2
71.04974	4.7
71.51803	3.6
72.08154	23.4
73.06554	4.8
74.06085	16.5
76.02706	2.2
76.95423	2.4
78.62856	2.4
79.05491	7.0
81.03407	23.8
81.07061	6.9
83.06103	4.3
84.04492	16.1
84.08143	28.0
85.02911	16.3
85.06559	3.2
85.86372	2.2
86.09703	36.6
87.00813	3.8
87.05602	2.6
91.05478	19.5
93.07041	4.4
95.04964	7.6
95.06068	3.8
95.08601	5.5
97.02901	6.5
97.06550	4.0
98.06084	3.3
99.04462	6.4
101.07156	5.6
102.05495	2.9
103.05502	11.5
105.07047	6.7
107.04939	5.6
107.08559	3.0
109.02874	16.4
110.02357	2.7
110.06010	5.5
110.07156	27.3
115.05434	21.0
116.06277	3.4
116.07095	4.7
116.98575	2.8
117.07000	13.4
119.04964	11.5
120.08096	8.0
121.02898	3.3
122.06049	10.2
122.07105	6.8
123.04409	3.0
124.07600	5.4
126.83811	2.2
127.03916	24.0
127.52889	2.4
128.06239	6.2
129.07004	10.7
129.10239	11.1
130.04150	5.9
130.04991	5.8
130.06503	3.4
131.04938	12.1
131.06978	2.4
131.08560	5.4
132.05722	4.0
132.95821	2.6
133.06516	4.4
134.06004	24.8
136.07573	27.4
137.05943	3.4
138.05508	5.8
141.06990	13.5
143.04929	6.0
143.08499	2.5
144.05707	10.9
145.06491	27.6
146.03583	4.1
147.04424	32.7
149.02304	4.3
152.07077	26.0
155.04929	5.7
155.05960	4.9
156.05687	3.9
157.06500	16.8
158.07182	3.2
158.97510	3.4
159.04457	5.4
159.08043	11.1
160.05148	4.7
161.05978	10.2
163.03870	4.2
164.04672	3.3
164.07040	33.5
167.09258	3.8
169.06490	15.3
169.13339	3.2
171.04404	7.8
171.08041	5.7
172.05168	13.5
172.11234	5.9
173.06006	35.1
175.03889	6.0
176.04691	12.9
177.05507	9.2
178.06107	7.1
179.07021	33.4
181.04924	2.9
182.08162	8.5
183.04408	7.6
184.05179	6.4
185.05986	8.6
186.03194	2.6
187.03981	4.5
187.07506	15.2
187.14438	12.9
189.05470	7.9
190.06306	7.8
191.07007	25.1
192.04163	6.5
192.13844	5.1
193.04979	7.8
195.08798	16.4
196.05276	6.9
197.05978	16.3
199.03839	2.8
199.07574	7.9
200.04735	12.5
200.10846	3.2
201.05470	15.1
201.09102	4.9
203.03418	5.8
203.07069	7.2
204.07797	3.1
205.08643	20.6
207.06538	62.5
208.07202	21.1
211.03931	5.0
212.04564	3.4
213.05437	5.7
214.06187	6.3
215.07031	22.1
217.04993	10.2
217.08615	11.8
217.10400	2.8
218.05759	16.1
219.06540	30.3
219.10132	8.9
221.08215	6.3
224.04709	3.6
225.05518	7.1
227.07071	4.2
229.05011	16.1
229.08670	7.9
230.05771	4.8
231.06680	13.6
231.10040	2.8
232.07295	3.6
232.13396	5.7
233.08047	41.5
234.05110	3.1
234.98952	4.3
235.05865	2.9
242.05750	5.2
243.06500	18.3
244.07385	6.6
245.04520	3.1
246.05325	2.9
247.06039	14.5
247.09608	12.2
249.07616	32.1
251.09193	6.4
257.08109	19.5
259.09613	24.6
260.06775	7.8
260.12759	8.7
261.07556	35.2
262.08344	4.2
271.05923	13.5
273.07477	3.1
275.09131	100.0
277.07086	9.0
279.08423	4.5
285.07709	8.1
285.12274	3.5
288.06421	4.1
289.07126	6.4
294.15665	3.7
303.08661	69.0
303.13367	40.8
304.15341	3.6
308.17068	2.9
321.06097	5.7
321.09784	52.8
321.14670	16.0
321.18253	8.0
321.26459	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	321.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.4
57.61679	0.4
58.06603	0.5
61.26955	0.4
64.87824	0.4
69.03423	0.8
69.68475	0.4
70.06582	0.9
71.52055	0.6
81.03403	0.5
84.08158	0.7
84.58530	0.4
84.96069	0.6
85.02917	0.8
97.02943	0.9
98.97577	4.4
101.00921	1.7
101.01622	0.4
110.97607	0.7
113.00886	0.7
115.02463	1.3
116.98660	1.7
119.01925	3.9
120.02044	0.5
123.05609	0.5
124.89694	0.4
128.98666	1.3
129.04024	0.6
131.01923	2.8
132.92630	0.4
133.03485	4.0
135.05092	0.5
137.02994	0.7
141.06627	1.4
143.01949	1.3
144.10275	1.1
145.03499	1.8
147.05058	2.3
151.04532	0.6
155.01862	2.6
157.03520	1.0
158.99692	0.8
159.03249	0.5
159.05115	2.6
159.06421	0.8
159.07658	0.8
160.09740	1.7
161.01591	0.6
161.03052	1.9
165.06241	0.7
170.99869	0.4
171.05055	2.7
173.01611	0.4
173.02966	2.4
173.06636	0.9
175.04636	0.6
177.00778	1.5
177.04492	0.8
177.06146	1.9
183.05121	0.6
185.02980	0.4
185.06628	0.5
187.00957	0.5
187.11371	0.4
189.00798	0.8
189.06122	1.1
195.07138	0.6
201.04443	0.6
201.06224	1.8
203.03973	0.8
213.06210	0.6
215.00473	0.6
219.01804	1.1
219.07150	3.3
221.05026	2.8
231.07166	3.1
233.08768	0.5
236.74442	0.5
237.02766	2.3
245.05193	1.5
255.07289	0.7
261.02750	0.5
261.08435	3.4
267.95709	0.5
273.08347	0.8
279.04083	1.0
279.09271	3.7
321.11661	100.0
322.05438	2.2
322.12036	3.1
339.10205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	6.8
61.70809	0.9
64.60940	1.1
69.03410	1.1
70.06601	2.2
71.07338	2.7
82.99850	1.2
84.08155	1.8
84.96020	0.9
85.02900	3.3
93.59050	0.9
97.02904	1.5
98.97583	7.2
101.00885	4.0
102.96861	1.0
109.02863	1.0
110.97568	1.8
111.05572	0.9
112.63175	0.9
113.00849	1.1
115.02446	2.3
116.98630	3.5
119.01934	9.9
126.32894	0.9
128.98601	2.5
129.03954	1.2
131.00131	1.6
131.01888	5.4
133.03479	6.0
134.99606	1.4
138.05605	1.1
141.06619	1.1
143.00203	1.3
143.01932	2.8
144.10179	1.1
145.03476	3.2
147.05086	1.6
151.04486	1.5
155.01877	4.2
157.03543	1.2
158.99654	1.3
159.03078	1.0
159.05064	3.9
160.07591	2.0
160.09668	1.7
161.02982	2.4
170.99600	1.3
171.05113	3.7
173.03004	4.0
177.00810	2.2
177.04387	1.6
177.06088	2.7
187.00900	2.1
187.04570	1.1
189.00783	1.2
189.02502	1.9
189.06198	1.7
191.03958	2.3
201.00774	1.4
201.02516	1.3
201.04327	1.0
201.06096	2.0
207.85527	0.9
215.00398	2.2
219.01700	1.9
219.03601	2.0
219.07253	2.6
221.05066	5.5
223.01393	1.2
229.01871	1.0
231.07169	3.2
237.02940	3.1
245.05055	1.3
247.02892	4.5
255.07138	1.2
259.06491	1.0
261.02789	1.6
261.08472	5.3
279.03998	2.3
279.09317	7.6
321.11768	100.0
322.05463	2.1
322.11823	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
54.41458	0.4
55.01866	2.9
55.05510	3.0
57.03426	2.0
57.03673	0.5
57.29661	0.4
60.24251	0.4
60.59954	0.5
61.02929	1.1
65.03947	3.2
67.05511	3.7
68.99790	1.6
69.03436	10.8
69.07059	1.6
69.26080	0.4
69.67410	2.2
70.06587	2.0
71.01366	1.0
71.04993	2.0
71.79363	0.4
72.08156	1.0
79.05506	3.6
81.03421	5.4
81.07053	5.1
83.04991	4.1
83.08626	1.1
84.08147	1.2
85.02909	3.8
85.06561	0.8
86.09711	0.7
87.00835	1.9
91.05486	100.0
92.05804	1.2
93.07032	5.2
94.06548	0.6
95.04970	3.6
95.08598	3.0
96.06409	0.4
97.02911	1.7
97.06526	1.1
99.04459	3.6
99.08123	0.6
101.06031	0.6
103.05492	0.8
105.03413	3.0
105.07042	5.1
106.03755	1.1
107.04961	1.0
107.08613	3.6
109.02881	3.9
109.06502	2.8
109.10161	2.3
111.04443	5.3
111.08089	2.0
111.40302	0.4
115.05493	1.5
117.05521	1.7
117.07020	13.1
118.06567	0.6
119.04945	1.1
119.08600	2.7
120.08109	0.6
121.06550	1.7
121.10147	2.2
122.06040	3.3
123.04433	0.8
123.08053	0.6
123.11716	1.1
123.97279	0.4
125.09639	1.2
127.03949	2.3
127.11223	0.8
128.06245	3.2
128.10768	1.1
129.01888	0.7
129.07014	6.3
130.06514	1.4
131.04941	0.7
131.07057	6.0
131.08551	3.3
132.08096	0.9
133.06508	2.4
133.10147	2.1
135.04413	1.1
135.08092	1.1
135.11703	1.1
136.04735	0.7
136.07622	3.2
137.09584	0.8
139.55945	0.4
141.07053	1.5
142.07784	0.7
143.08569	4.3
145.02882	0.9
145.06508	5.5
145.10141	1.5
146.06003	1.3
147.04420	3.2
147.08002	2.4
147.11667	1.7
149.06020	0.9
149.09653	1.0
149.13245	0.8
150.05530	1.6
151.07545	0.8
151.11198	1.5
153.07013	2.0
155.04916	1.8
155.08624	0.5
157.06496	1.1
157.10191	0.8
159.06802	0.6
159.08055	2.3
159.11742	1.3
161.09665	1.2
161.13286	0.7
162.09119	2.4
163.07568	0.6
163.09514	1.9
163.11275	0.8
165.09154	1.2
167.10722	0.7
168.06636	0.9
169.06471	0.8
171.08031	3.6
171.11736	1.0
173.04562	0.8
173.05984	4.7
173.09692	0.9
175.07579	1.4
175.11157	0.8
177.05527	1.4
177.09245	0.5
181.06502	3.5
181.10315	0.6
185.13210	0.6
187.07497	0.6
188.06955	1.6
189.03955	0.6
189.05580	0.6
189.09244	0.7
189.12791	1.1
191.07184	0.6
191.10674	0.5
193.12177	0.4
199.07564	5.7
199.11180	1.0
199.14781	0.4
207.06569	0.5
209.04488	0.7
213.09071	0.5
216.06204	0.7
217.08607	4.0
217.12212	2.8
217.15974	0.5
219.02937	0.6
221.15334	0.5
231.08521	1.7
232.05942	0.6
233.06454	1.6
235.13326	1.1
259.07938	2.2
259.14438	1.2
260.05646	1.7
261.05862	9.8
261.08426	0.7
261.14926	0.5
267.12408	0.6
275.10397	0.7
277.08969	0.7
289.08908	0.5
303.06769	4.1
303.12616	1.0
303.16266	0.8
303.23193	1.5
321.08179	4.3
321.13559	1.2
321.16849	3.4
321.23828	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	321.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95967	1.3
53.03953	1.6
53.13179	1.2
53.80165	1.2
55.05503	3.5
56.05025	2.8
56.96567	37.2
57.03437	2.9
60.04517	5.8
61.02922	2.2
64.20350	1.3
67.05503	2.3
69.03433	14.0
69.07079	7.7
70.06593	19.0
70.07396	1.6
71.04984	4.0
71.51163	1.3
71.95277	2.0
72.08144	5.9
73.02914	1.8
73.06529	1.3
74.06070	2.5
79.05498	2.1
80.84628	1.3
81.03430	7.8
81.07052	4.4
83.04977	3.2
83.06086	1.5
84.04504	5.8
84.08144	13.3
84.96037	15.7
85.02913	18.3
85.06538	2.7
85.08443	1.4
86.09702	13.2
87.10046	5.7
88.03996	1.5
91.03963	1.3
91.05492	3.0
93.07031	1.8
95.04952	1.6
95.08615	6.7
97.02898	11.2
97.06524	2.9
97.96840	1.6
98.06005	1.7
98.97587	95.9
99.04462	3.9
99.08076	1.9
102.05537	1.7
102.97073	1.9
105.97134	1.2
107.04916	1.8
109.02861	5.6
109.08512	1.3
110.06027	1.3
110.07166	8.5
110.97567	15.8
112.08729	2.3
115.05428	1.5
115.08684	1.9
116.98624	69.2
119.01797	2.2
120.08120	3.6
121.02876	1.2
123.04464	2.5
123.08073	5.0
127.03933	7.1
128.98607	30.6
129.10223	5.2
130.08630	1.4
131.00179	4.5
132.95869	2.1
133.06386	1.3
134.06049	2.7
134.99657	32.9
136.07596	3.4
140.00189	2.5
140.98572	3.1
141.09103	10.9
142.05025	1.6
143.00165	8.8
144.95757	1.3
144.98097	3.6
145.04941	2.5
146.06024	2.6
146.99649	25.7
147.04369	2.3
149.01241	3.4
152.07121	2.5
152.98615	9.6
153.00688	4.0
158.01266	1.6
158.97443	3.6
158.99667	18.6
159.03246	1.9
159.10188	2.5
161.01245	14.0
162.99193	5.3
164.07072	2.0
165.00673	3.0
170.99660	17.7
173.01239	2.9
173.12883	2.9
174.05563	2.6
174.13242	6.9
174.96822	1.6
174.99214	1.8
175.02841	1.6
175.99898	2.0
176.98459	1.9
177.00719	28.2
177.02193	2.1
177.04358	3.4
179.02310	3.5
183.55847	1.5
186.07620	4.0
188.07039	1.9
189.00739	11.9
189.06096	2.5
191.02309	1.7
195.01762	4.5
201.00784	3.9
201.04362	2.4
202.11055	2.3
202.12730	2.7
216.98010	1.7
219.01733	26.3
219.05164	1.7
231.05562	1.5
231.11252	5.3
234.07628	1.2
234.99031	12.8
237.02840	58.2
245.30930	1.4
255.03938	3.9
257.13330	1.6
260.04492	3.3
261.03821	1.3
261.06360	8.4
265.05908	2.4
275.09174	3.7
279.07523	100.0
280.07797	2.6
297.08633	23.0
302.09222	9.2
303.13373	2.1
304.11969	1.5
320.10260	3.1
321.08600	78.9
321.14130	9.2
322.09143	1.7
339.09644	2.3
341.59509	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0755
Annotation	Spiropreussione A
Peak:m/z	Relative Intensity
55.01862	0.4
55.05500	0.7
57.07082	0.4
64.99078	0.3
67.05496	1.4
68.99821	0.4
69.03433	0.3
69.07052	1.0
70.07404	1.2
77.03982	0.3
79.05465	1.4
81.03403	0.8
81.07044	1.9
83.08618	0.4
84.08141	0.3
91.05467	1.4
93.07021	1.2
95.04964	0.5
95.08634	1.6
105.07018	0.8
107.04931	1.4
107.08562	1.0
109.02851	0.5
109.10133	1.1
117.07005	0.4
119.04939	0.4
119.08578	0.9
121.02872	3.2
121.06518	0.6
121.10134	0.8
123.08064	0.4
123.11726	0.5
131.04849	0.3
131.08560	0.4
131.16994	0.3
135.04419	8.9
135.11613	0.5
145.10089	0.3
147.04378	1.2
159.04433	3.0
159.11685	0.4
163.03822	0.6
173.05995	0.4
175.03920	1.6
177.12761	0.4
201.05466	2.4
203.03398	64.4
204.03688	1.7
221.04448	9.5
222.04794	0.7
227.83269	0.3
229.07353	0.3
303.15802	0.5
321.07581	100.0
322.07895	5.3
322.11307	0.5
344.53018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.3
57.03423	1.7
57.07055	1.4
60.04511	1.3
60.99523	0.9
62.06091	100.0
64.83855	1.2
65.03947	1.0
67.05511	12.2
68.60148	1.0
69.07069	5.8
70.02972	1.1
79.05498	12.6
81.03400	1.8
81.07056	14.4
83.08626	2.2
85.06586	1.1
91.05479	10.9
93.07036	18.5
95.04980	2.2
95.08614	8.4
97.06557	1.4
97.10161	1.5
98.06049	4.4
105.07030	15.5
106.07336	1.3
107.04966	1.7
107.08590	12.2
109.10172	3.0
113.02038	1.0
117.06999	3.0
119.07784	1.5
119.08597	11.3
121.10125	10.3
123.11687	1.4
129.06976	1.6
130.08669	1.1
131.08549	5.0
133.10130	13.6
135.11670	8.3
143.08553	2.6
144.10188	1.9
145.10114	4.1
147.11714	8.8
149.09668	1.1
149.13266	8.0
157.10098	1.4
159.11685	4.1
161.13298	8.3
163.14835	3.8
171.11699	3.1
173.13248	3.0
175.14838	9.3
177.16574	1.1
185.13214	2.2
189.12852	1.6
199.14798	1.4
217.19522	3.1
236.16432	1.2
241.19447	6.9
259.20624	11.0
277.21582	1.5
302.24789	4.1
303.23294	2.2
320.13513	1.5
320.25873	50.7
321.14871	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	320.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.05490	2.4
57.03421	0.7
59.04985	0.9
64.69475	0.6
65.03929	1.1
67.05489	2.7
69.03413	1.4
69.07059	0.8
70.06576	1.5
70.18414	3.1
75.04473	2.1
75.48013	0.6
77.25691	0.6
79.05488	1.5
81.03384	1.2
81.07057	1.9
83.04971	1.8
84.08126	0.6
85.06526	2.1
89.12802	0.7
91.05471	1.9
93.07037	1.1
95.04964	1.0
95.08574	1.6
97.06551	0.8
99.04420	0.7
105.07007	1.3
107.04977	0.8
107.08540	0.9
108.08900	0.9
109.02844	1.2
109.06477	1.1
109.10176	1.9
115.05455	1.2
118.06549	1.3
119.08550	0.9
121.02862	2.7
121.10146	0.8
127.03906	0.7
129.07004	0.9
130.06516	4.7
131.12837	0.6
132.08066	0.9
133.10147	1.1
137.09590	0.6
141.45004	0.6
142.06522	31.0
143.07286	7.1
144.08072	7.9
147.04401	2.6
148.12033	0.7
154.06487	0.8
156.08105	9.9
157.05179	1.2
157.10095	0.8
158.05896	1.9
158.09618	0.9
160.07568	12.3
163.03781	0.8
167.07256	2.4
168.08109	2.6
169.08850	2.8
170.06030	3.9
170.09627	2.9
171.06664	0.7
172.07549	3.9
172.11140	0.8
173.04585	0.8
176.03415	0.9
180.08014	1.2
181.08856	49.5
182.09644	5.8
183.10422	0.9
184.07620	0.7
184.11203	15.5
186.05530	6.3
186.09012	0.8
188.07074	1.3
194.09615	5.5
195.10406	2.3
196.11211	22.3
199.09894	1.0
200.10692	1.3
201.04239	1.0
202.12245	2.7
204.10223	0.8
209.08321	0.8
210.12526	1.0
211.78949	0.6
212.10704	28.8
213.11133	0.6
214.05002	17.9
214.12256	100.0
215.12619	1.6
216.06517	4.0
217.07312	0.8
223.13522	0.8
224.10684	2.9
227.13138	0.8
228.13837	2.2
230.11774	12.3
232.09663	1.8
232.13319	20.5
238.15923	2.0
242.04495	5.2
242.11749	25.6
244.06024	2.2
245.06680	1.9
254.15376	1.5
256.16971	12.4
260.05536	8.2
260.09180	10.3
260.12164	0.9
260.13058	0.9
264.53506	0.7
266.15372	8.0
274.18018	1.0
276.08600	1.2
284.16434	28.8
288.05054	4.5
288.08679	2.4
302.06598	11.4
302.17490	29.5
320.07733	1.2
320.11398	2.0
320.18503	14.3
320.22369	4.5
320.25964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04515	0.9
68.35046	0.6
69.21611	5.9
70.06588	10.8
72.08140	2.5
84.08131	2.1
86.09700	3.6
116.07072	1.4
120.08080	2.6
127.08673	2.7
135.04437	2.7
141.71236	0.8
143.11780	0.9
155.08144	2.0
158.05972	0.8
159.06812	1.1
176.06998	0.8
179.03438	0.7
185.26387	0.6
186.05516	2.4
187.06282	41.1
188.06825	1.2
189.07930	3.4
191.57646	0.7
202.08681	1.6
204.06516	1.5
215.05769	23.3
216.06352	0.9
217.07332	1.6
230.08121	50.3
231.05354	1.8
231.08430	2.1
232.06073	5.9
232.09674	2.3
243.05388	2.0
245.62196	0.7
258.07623	28.7
259.07907	1.2
260.05563	15.7
274.07047	4.8
276.08655	24.2
302.06580	100.0
303.06918	4.0
320.07654	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	320.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01871	7.3
55.05504	2.3
55.93559	0.8
56.05037	2.0
57.03426	0.7
60.04534	1.8
61.02915	2.1
65.03951	1.2
67.05486	1.6
68.05017	1.5
69.03423	2.3
69.07064	1.9
70.06593	13.6
71.04979	1.1
72.08158	4.9
74.06083	1.5
79.05492	1.8
81.03423	10.3
81.07039	1.6
84.04498	2.6
84.08128	5.0
85.02923	1.6
86.09707	4.3
90.94829	0.8
91.05480	6.9
93.07004	1.0
94.06561	2.4
95.04967	1.7
95.06094	1.1
96.04496	1.7
97.02882	2.8
98.06060	1.3
103.05463	1.1
105.03384	2.3
105.07037	3.0
107.04957	11.4
107.08576	1.0
109.02889	2.5
110.06050	2.3
110.07164	2.3
112.07640	0.9
112.08726	0.9
114.05542	1.4
115.05460	2.3
115.08736	1.3
116.07100	2.9
117.07003	5.5
119.04932	4.6
119.08589	3.4
120.08113	2.7
121.02850	2.7
122.06034	15.9
123.04427	2.6
127.03906	1.8
128.03426	1.1
129.06970	1.8
129.10246	1.7
130.06532	2.9
131.04933	2.2
132.04472	1.8
132.05687	0.9
132.08101	1.4
133.06499	11.8
136.07561	1.9
137.05971	0.9
138.05511	1.1
144.08133	0.9
145.06493	22.2
146.06009	1.6
146.09579	0.9
147.04413	13.3
147.08035	12.0
149.06004	1.2
155.06044	2.6
157.06483	5.5
158.06006	1.8
159.04370	0.9
159.06804	5.9
160.05159	2.8
160.07558	0.7
160.20801	0.7
161.05960	1.2
162.09052	2.1
166.05118	0.9
169.06535	1.1
170.06029	0.9
171.04358	1.3
171.08035	1.5
172.07602	6.7
173.05975	18.2
173.08244	2.0
174.05559	3.1
174.09137	21.0
174.10602	1.5
175.07489	3.7
175.08820	1.4
176.03424	5.5
176.07127	0.9
183.04454	1.0
184.07585	2.2
186.05518	3.2
186.09120	10.4
187.07565	1.1
187.09944	2.8
188.07071	1.5
188.10725	2.7
196.07556	1.1
197.05965	2.3
198.09131	1.2
199.07564	0.8
200.07097	7.2
201.05437	19.7
202.08597	1.4
203.08206	1.6
204.06593	1.2
214.08618	37.9
215.05658	1.0
215.08917	1.2
216.10196	100.0
217.04971	2.8
217.10548	3.3
220.06096	1.9
230.08167	1.6
232.07953	1.0
242.08119	80.4
243.05153	0.9
243.08528	1.7
245.09198	1.6
248.09354	0.8
253.12976	0.9
253.16208	0.8
258.11371	1.4
260.05576	7.0
260.09183	29.6
260.11655	1.0
261.07559	2.1
270.03992	12.5
270.06738	1.5
274.07050	1.0
278.13364	2.8
284.09399	0.9
288.04889	1.1
302.06763	5.1
302.09866	1.3
303.13077	2.3
303.23566	1.9
320.07596	13.2
320.11298	21.7
320.15359	3.2
320.26248	2.0
321.18051	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47813	0.6
53.03965	0.8
55.05497	1.1
60.41358	0.6
67.05505	2.5
68.05845	0.7
69.03440	0.7
69.07056	2.3
69.58202	4.3
70.06571	1.3
70.07399	0.9
81.03399	2.8
81.07047	1.8
83.04968	0.9
85.02907	7.8
85.06569	0.7
88.36475	0.6
89.06026	0.6
91.05467	1.4
93.07036	1.5
94.31945	0.7
95.04957	0.9
95.08605	2.8
96.08948	0.9
98.20763	1.3
100.97668	0.6
105.03395	1.5
105.16081	0.6
107.08592	0.8
109.02865	2.8
109.10160	1.9
110.03252	0.8
110.10496	1.5
118.06521	0.6
126.12703	0.6
126.83405	0.7
127.03972	0.9
132.08093	1.7
133.08853	1.2
135.04424	6.0
146.06018	3.6
151.03795	0.8
158.06015	2.3
160.07571	1.6
161.08298	1.0
171.04733	0.6
172.07475	0.8
174.09059	1.3
176.03413	0.8
176.07022	1.1
181.83356	0.7
186.05522	4.9
187.06293	61.8
188.06934	3.2
189.07858	17.7
190.12312	4.6
198.05429	0.7
199.06314	1.0
202.08632	2.9
204.06577	1.7
210.36313	0.8
214.04997	2.1
215.05775	31.7
216.06456	2.8
217.03676	0.8
217.07291	4.4
230.08124	63.7
231.05344	2.0
231.08444	2.5
232.06116	9.7
232.09688	16.9
233.06763	1.4
243.05330	2.8
258.07642	36.3
259.08014	0.9
260.05551	34.6
261.05981	1.0
274.06998	4.9
276.08676	82.4
277.08899	2.1
302.06595	100.0
303.06909	3.5
320.07648	15.6
320.14984	8.0
320.18762	1.4
320.22760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	37.8
57.90182	1.7
69.52780	4.5
69.53185	12.9
84.96037	11.7
85.02885	2.6
97.93487	2.2
98.97583	100.0
104.10733	7.0
110.97586	9.3
116.98626	51.3
119.01887	2.6
120.37599	2.0
124.99107	7.5
124.99971	2.7
128.98621	13.1
131.00119	2.2
134.99667	14.9
138.52977	2.9
140.00206	3.9
140.98604	3.5
143.00169	23.6
144.98035	2.6
146.99658	6.0
150.93907	1.9
153.00703	2.1
155.00166	3.7
158.01233	3.7
158.99641	12.9
161.01253	14.2
170.99626	2.1
173.01300	2.5
177.00706	17.8
182.01476	1.9
183.88976	2.1
189.00780	3.5
206.02484	3.4
219.01752	11.5
221.05016	3.6
234.99835	3.2
237.02785	28.7
249.03157	2.9
255.03868	43.1
273.05020	10.7
278.05603	2.8
279.03815	23.6
284.05573	2.2
297.01538	4.2
297.04913	69.7
314.96011	2.2
315.05997	8.3
319.59119	2.1
320.06549	3.5
339.06525	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	320.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	68.8
57.03436	2.4
60.04522	2.2
60.08149	3.8
61.02924	2.7
61.55503	2.0
67.05473	2.3
69.03424	5.4
69.81277	2.2
70.06591	10.0
70.98154	2.9
71.51390	2.4
71.95255	2.8
72.08140	2.8
73.02905	2.3
74.06087	3.3
84.08148	8.8
84.96018	10.3
85.02907	7.1
86.09698	16.1
94.09421	2.2
97.02881	3.2
98.97587	100.0
100.99133	2.9
101.00871	4.3
104.10748	24.8
110.97565	20.1
112.99133	8.7
116.07049	2.5
116.98625	54.6
119.01915	8.4
124.99142	3.9
125.00006	6.5
128.98604	27.6
129.52425	4.8
131.00159	8.6
131.01929	2.6
133.03427	5.3
134.99664	17.8
138.52969	25.3
139.03203	3.1
140.00179	3.3
143.00121	11.8
144.10173	3.8
144.98093	4.6
145.01704	2.9
146.99657	14.5
147.53615	2.5
149.01213	6.6
150.52960	3.9
157.03445	2.5
157.53754	5.0
158.01262	7.0
158.11728	2.7
158.99652	28.0
159.53539	2.3
161.01225	11.1
162.99179	8.2
166.54308	6.0
170.99684	12.9
172.02824	4.0
173.01332	3.4
173.02910	3.1
175.04608	2.9
177.00706	39.5
181.00290	3.3
184.02956	2.6
184.07349	7.3
189.00694	18.0
189.04361	5.0
190.03853	7.2
191.02275	2.8
192.54091	3.7
195.01773	4.2
198.96820	3.8
200.02328	5.4
201.00760	8.7
201.02452	3.0
201.54590	5.7
205.00175	5.9
207.01775	11.9
207.05339	2.7
208.04906	5.5
208.55307	3.8
214.03951	2.6
218.03368	3.1
218.06992	4.2
219.01790	19.5
219.03497	3.8
220.01555	2.4
221.04987	3.3
223.01225	9.6
228.05473	2.2
229.55835	17.5
230.03452	2.9
230.05962	4.2
231.06985	2.5
232.04883	5.4
237.02820	21.8
238.56395	31.8
239.06540	9.0
240.10016	2.5
253.11145	23.5
255.03844	20.3
261.02783	3.0
271.12216	22.4
273.05136	4.2
278.05667	2.2
279.03943	33.8
297.04935	43.1
297.10040	19.1
303.00208	3.3
315.11240	15.7
320.06763	5.6
320.10431	11.7
321.11685	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	319.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08172	2.1
53.03961	2.2
55.05517	24.6
57.07080	5.2
58.06351	2.4
61.59271	2.1
67.05500	33.9
69.07072	49.8
70.98217	5.6
79.05480	8.6
81.07053	47.6
83.08624	23.8
91.05466	4.4
93.07034	18.6
95.08608	100.0
97.10181	12.6
99.08092	34.1
101.02853	2.5
105.07051	4.5
107.08604	30.5
109.10160	98.7
111.11709	18.0
113.09644	22.3
119.08577	5.9
121.10156	29.9
123.11692	25.6
127.11122	5.0
133.10164	4.0
135.11682	22.7
137.13249	9.6
145.76678	2.5
149.13275	20.7
163.14830	20.4
177.16399	14.9
191.17886	15.4
205.19543	30.5
211.61165	2.4
223.20613	5.9
233.00357	2.4
278.92419	2.4
319.29953	57.9
320.30237	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	319.9598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	14.2
59.69417	0.5
66.37697	0.5
68.34683	0.5
69.98788	2.7
71.95232	1.2
81.15948	0.6
82.20292	0.5
84.09351	0.5
93.97351	0.5
98.97583	45.2
102.96829	0.7
103.89124	0.5
116.98623	39.4
117.98952	0.7
119.01859	1.1
120.97886	0.7
123.86819	0.5
134.99661	20.9
136.00003	0.9
140.00189	2.0
142.03526	1.0
153.00706	3.3
158.01256	1.5
160.04507	0.6
174.97652	7.5
177.00919	1.7
192.98729	7.3
194.91229	2.4
198.97554	4.1
199.97757	0.6
212.92271	12.0
213.92307	0.6
216.98709	44.4
217.98836	2.0
218.91341	1.8
219.01949	1.1
228.90025	0.5
230.93326	17.1
234.99753	100.0
235.99883	3.2
236.92105	2.8
240.00305	1.3
242.93477	0.8
245.92119	0.8
248.94368	7.1
251.93858	2.8
253.00775	3.6
254.93317	17.7
255.93445	1.3
256.96658	0.7
258.01303	5.7
258.99869	1.3
260.94345	1.1
261.03036	1.4
262.03177	0.7
263.44601	0.7
263.93161	1.4
270.91226	1.4
272.94379	76.8
273.94507	3.7
274.94580	1.2
274.97589	0.7
277.00797	1.4
277.94971	1.3
279.00363	0.5
288.92264	1.6
290.95432	45.4
291.91733	2.5
291.95639	1.9
292.91592	0.9
292.95279	0.6
294.41986	1.4
294.91846	0.7
295.95941	5.2
296.94400	3.5
296.97519	0.7
297.06146	0.6
303.42612	1.2
313.97031	1.6
314.95428	27.2
315.95563	1.2
318.91586	0.5
326.44019	1.2
326.93713	0.6
332.96536	4.2
333.24783	1.0
337.96982	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2269
Annotation	Geranyllinalol-19,9-olide
Peak:m/z	Relative Intensity
53.03941	4.5
55.01865	4.2
55.05515	10.7
57.03423	1.7
57.07062	3.2
59.05008	2.2
64.00896	1.3
65.03944	2.3
65.73592	1.1
67.05510	18.5
68.05885	1.0
69.03418	5.6
69.07072	15.4
70.06586	2.7
71.04993	8.0
71.07828	1.1
71.53709	1.9
79.05490	28.3
81.03423	3.9
81.07056	100.0
81.53354	1.1
82.07414	1.4
83.04975	4.9
83.08618	4.4
84.08163	2.7
85.06534	8.2
86.09724	1.7
86.45378	1.0
91.05476	15.2
93.07050	30.8
95.04958	12.1
95.08607	27.3
95.09189	2.3
97.06540	4.9
97.10170	2.8
99.04454	2.6
99.08091	35.6
103.05451	1.2
105.03342	1.3
105.04536	1.3
105.07029	27.4
107.04954	3.7
107.08596	43.4
109.02858	8.0
109.06517	23.8
109.10158	20.4
111.04403	1.7
111.08067	9.0
111.11714	1.2
113.09634	1.7
115.05443	1.9
117.07017	4.6
118.06556	1.5
119.08580	26.9
121.06480	6.6
121.10139	20.2
123.08055	11.1
123.11688	9.9
125.09655	7.4
127.03907	1.4
127.07552	25.9
128.06207	2.1
129.07007	4.3
129.09131	2.4
131.08569	8.7
133.02818	1.5
133.06485	3.7
133.10127	18.7
135.04451	2.6
135.08055	9.0
135.11676	11.3
137.05968	2.8
137.09627	15.8
137.13261	4.8
139.03886	1.7
139.11201	2.1
141.09059	2.2
142.07745	1.8
143.08575	4.2
143.10606	2.7
145.06500	2.8
145.10132	17.9
146.06007	1.8
147.08037	4.6
147.11690	8.3
149.05937	1.4
149.09589	6.0
149.13258	4.8
151.03893	1.8
151.07617	1.2
151.11154	4.4
153.09206	1.3
155.08543	1.7
156.09386	1.5
157.10120	5.5
158.05971	4.7
159.08076	2.7
159.11694	8.0
161.06001	2.1
161.09662	7.8
161.13278	2.7
162.05505	1.4
163.03897	2.9
163.11203	13.7
163.14856	2.4
165.09096	2.3
169.10181	2.3
171.11658	5.0
172.07567	1.9
173.09637	4.0
173.13257	10.1
173.16843	1.3
175.11221	3.4
175.14833	16.8
177.09108	1.4
177.12752	1.4
178.05028	1.8
179.03505	2.0
181.05011	3.8
181.12248	3.9
182.10989	1.6
185.13228	2.9
186.09074	1.6
187.11230	2.4
187.14824	4.9
188.07179	1.7
189.12720	2.6
191.14262	5.8
193.12317	1.8
193.15819	7.1
197.13307	3.5
199.14821	4.3
200.10672	6.1
203.14287	2.3
205.15926	2.1
207.13808	1.2
210.09178	3.1
211.14810	2.2
213.12567	1.4
213.16386	1.8
214.05023	1.7
214.08633	3.0
214.12271	3.5
215.10733	1.7
215.14296	11.1
216.06566	1.3
217.12206	1.4
217.15889	1.8
219.13739	3.0
228.10156	4.5
229.15813	1.5
230.16365	1.2
233.15353	6.1
241.19469	1.4
251.16333	1.3
255.11296	1.8
255.21027	1.6
258.07462	1.5
259.10995	7.2
260.05505	3.5
273.22263	1.6
274.15256	1.5
276.08273	1.6
283.10751	2.9
283.17688	1.2
283.20651	5.1
283.23825	1.5
284.16336	2.1
301.11771	9.4
301.21573	14.1
302.06665	2.4
302.17664	1.6
319.12363	2.1
319.15805	1.2
319.19116	1.2
319.22690	24.7
319.26422	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	319.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56724	0.7
53.03923	1.0
55.01860	1.2
55.05496	1.9
56.05029	8.2
57.03427	0.8
58.05309	1.0
60.04525	1.0
60.05634	2.9
65.03950	0.8
67.05518	4.3
69.03419	2.5
69.04542	1.4
69.07056	2.4
70.06586	11.7
71.04981	2.8
71.52734	1.5
72.08150	3.8
79.05486	2.0
81.03402	2.9
81.07036	1.6
83.04964	2.9
83.06096	3.1
83.08614	1.0
84.04491	2.4
84.08134	6.3
85.02910	2.6
86.09683	4.4
91.05475	3.1
93.07030	2.4
95.04978	1.8
95.06088	3.3
95.08580	1.8
97.02893	1.1
97.06487	1.1
98.06041	1.1
99.04454	1.1
102.05499	0.8
102.09180	2.2
105.03391	2.1
105.06991	1.0
106.06548	0.7
109.02888	2.7
109.10142	2.2
110.07164	2.2
111.04456	1.8
111.05559	8.6
112.07601	0.9
112.08691	1.9
113.07123	4.6
114.05550	1.7
116.07084	2.4
117.05769	0.9
118.06468	0.8
119.08609	1.2
120.04419	3.6
120.08124	5.1
120.08821	0.8
121.02882	1.1
121.06508	0.7
123.04502	0.9
123.05571	1.5
126.06648	3.8
127.03899	1.5
127.07439	2.1
129.05507	1.3
129.10199	2.1
130.06512	3.2
130.08606	1.1
131.08482	1.3
132.04453	15.8
132.08092	1.7
133.06421	0.8
134.06020	6.0
136.07605	2.2
137.04626	1.0
137.09575	1.0
138.05501	1.1
139.03914	1.2
140.08192	3.3
141.07079	0.9
144.08101	0.7
145.05046	0.9
146.06020	2.2
148.03932	1.2
150.05458	6.5
151.06120	7.8
157.07613	2.5
158.06000	1.6
159.09180	1.5
162.05515	1.6
162.09140	1.8
167.07114	1.0
171.11705	0.7
175.08629	1.0
176.03436	1.3
176.07083	2.4
179.03467	0.9
187.08746	6.0
188.07065	1.0
189.06606	2.2
198.13535	1.0
202.09747	5.8
203.08202	6.0
206.08154	2.8
214.08614	1.5
220.05217	0.7
220.10837	1.1
230.09334	3.6
230.11455	0.8
230.17509	8.5
231.07632	32.0
231.14836	1.1
232.08089	1.0
232.10721	1.1
233.09187	1.8
233.13936	7.1
234.12347	1.4
241.09782	0.9
242.09180	2.5
246.09003	1.4
249.13377	0.8
257.10358	5.6
257.12759	1.2
259.11911	27.1
260.10419	2.3
273.12378	1.3
277.12939	100.0
278.13336	3.5
284.11487	3.5
301.11725	4.8
301.14929	3.1
302.12451	59.1
302.23236	7.4
303.12747	2.2
319.15179	89.1
319.25803	10.3
320.15485	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	37.4
60.95841	1.1
63.13423	0.9
69.59518	5.5
71.95278	4.9
79.41972	0.8
98.20765	1.7
98.97584	76.1
99.97943	1.2
102.96926	1.7
116.98618	89.9
119.01929	4.5
120.97921	1.6
134.99655	90.6
136.00031	1.9
136.45383	0.9
137.00108	0.9
137.02951	1.9
140.00204	3.6
142.03539	1.2
153.00705	19.7
155.01262	1.1
158.01292	8.3
174.97658	7.8
176.02319	1.5
177.00954	5.3
178.01047	1.4
179.00739	1.5
185.49867	0.8
190.95573	1.4
192.98692	10.0
194.91290	2.6
198.97729	3.8
201.00864	1.1
208.96426	1.2
212.92278	9.3
216.98705	42.4
218.91286	1.8
219.02016	7.4
220.02153	2.1
221.01726	1.1
228.90059	3.0
230.93326	24.5
232.96611	2.5
234.03177	2.8
234.99757	100.0
236.92383	2.8
240.00314	2.3
240.98779	1.3
245.92006	1.6
246.91159	3.5
248.20470	0.9
248.90726	0.8
248.94350	11.2
250.97588	1.6
251.93823	1.2
253.00893	3.7
254.93309	16.1
254.95845	1.5
256.96698	2.2
258.01312	6.0
258.99741	7.4
259.02335	1.0
259.99985	1.7
261.00330	1.8
261.03018	9.4
262.03290	2.0
263.02811	2.4
263.93033	1.6
264.03049	1.2
264.92139	1.4
270.91003	2.5
272.94373	91.1
273.94540	1.9
274.94858	1.2
274.97580	5.7
277.00772	14.8
277.94922	2.4
278.00998	2.9
279.00708	1.8
288.92166	10.3
289.92419	1.1
290.91928	8.5
290.95401	60.3
292.98676	2.9
294.91357	1.5
294.94470	1.1
295.95947	10.0
296.94476	3.7
298.97800	1.1
300.02368	2.0
305.43665	1.1
306.93091	4.4
308.93057	3.3
313.96750	4.6
314.92279	0.9
314.95422	25.0
316.98990	1.1
318.98599	1.2
319.07074	1.2
325.93674	4.1
330.93454	1.4
332.96548	3.0
334.94498	1.8
337.20047	1.4
337.97064	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	318.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
55.05512	2.8
56.05037	4.2
56.96565	45.5
57.03439	1.9
58.06594	3.1
60.04526	2.7
60.05677	0.7
61.02922	1.2
67.05505	5.9
67.52963	0.6
68.05028	1.2
69.03419	4.7
69.04563	0.7
69.07062	4.1
69.71247	1.8
69.71658	1.7
70.06590	13.9
71.01335	0.7
71.04998	7.0
71.95272	0.9
72.08156	100.0
72.96032	3.0
73.02922	1.7
73.07867	0.7
73.08487	2.6
74.06080	4.3
74.97627	2.4
76.07655	0.6
79.05494	1.1
79.07797	0.5
81.03420	1.9
81.04596	0.7
81.07051	1.7
82.06583	1.7
83.04987	1.3
83.06119	2.1
84.04502	12.0
84.08146	35.7
84.96040	4.8
85.02899	6.2
85.08464	8.0
86.06077	2.8
86.09705	38.9
87.04468	1.6
87.05590	1.5
87.10027	4.0
88.03995	1.5
90.05581	3.9
91.05470	3.6
93.04517	0.8
93.07050	2.8
95.04977	2.4
95.06098	1.6
95.08608	4.9
96.04491	1.1
97.02898	3.5
97.05138	0.9
97.06541	0.6
97.99212	0.8
98.06062	4.0
98.20853	0.7
98.97585	22.3
99.04491	0.7
100.05094	0.7
102.05552	4.6
102.97111	1.2
105.03386	4.6
107.04985	1.1
107.59077	0.7
109.02901	1.1
109.10175	4.8
110.06040	2.2
110.07166	16.1
110.97522	3.2
111.04449	0.6
111.08108	2.1
112.07612	2.8
112.08714	0.8
112.11257	3.4
112.99194	0.9
113.04655	1.1
113.05996	0.6
113.07153	2.2
115.00707	2.0
115.08664	1.1
116.00238	1.0
116.07100	2.7
116.98621	18.0
119.01942	2.9
119.04952	1.1
119.08582	2.6
120.02059	1.0
120.08119	1.2
121.01723	0.6
121.02900	0.7
121.06568	0.8
123.04438	0.6
124.07607	0.6
125.09644	0.7
127.00706	0.8
127.03934	1.5
128.98608	6.5
129.10243	15.8
129.13901	1.3
130.05061	2.0
130.06543	2.6
130.08643	2.6
130.10608	5.0
131.00148	1.7
131.01918	0.9
131.08162	1.5
131.09026	1.0
132.10201	1.8
133.01729	3.0
133.03354	0.7
133.06116	1.7
133.34175	0.6
134.01270	0.9
134.04509	1.5
134.06444	0.7
134.97910	1.3
134.99651	9.3
136.05034	1.0
136.07584	3.8
137.07913	0.6
137.09618	5.6
138.05502	32.9
138.09143	1.3
139.05936	0.7
140.00174	0.9
141.02292	0.6
141.04105	4.5
141.06580	1.9
141.10233	0.9
143.00194	2.0
143.01936	0.8
143.11800	3.5
144.12180	1.0
145.01749	2.0
145.03490	0.8
146.06041	1.0
146.16472	1.3
146.99648	7.2
147.04352	1.4
147.11290	2.3
149.01193	1.3
150.00754	4.6
151.04820	0.8
152.05678	31.9
152.98825	3.2
153.00732	1.4
153.06459	54.4
154.05980	4.3
155.10686	2.4
155.99692	2.0
156.06569	18.8
156.07726	2.7
156.10199	2.1
156.13765	0.8
157.01730	1.3
157.03474	0.9
157.07050	0.7
157.13365	5.4
158.01215	0.8
158.04883	1.2
158.13750	1.1
158.99634	3.5
159.03255	1.1
159.07663	1.9
161.01241	4.4
161.02969	2.2
162.99117	1.5
163.02760	0.9
165.00778	1.8
168.01813	3.8
169.03542	1.0
170.04953	0.9
170.99709	3.2
171.04976	0.9
171.11284	0.9
171.14955	0.8
173.01280	1.1
173.03035	0.9
173.09241	0.9
173.12944	0.7
174.00826	3.7
175.02780	3.2
175.04149	0.9
177.00743	5.3
179.02325	0.7
182.15349	1.2
183.11296	4.3
184.13420	1.9
185.12834	3.7
185.16486	1.3
186.06212	1.2
186.12418	1.1
187.04543	0.8
187.07184	1.9
188.05991	0.9
189.00746	2.8
189.04346	2.4
190.01822	0.7
190.95419	1.1
191.02190	1.0
193.03836	2.7
194.04933	0.7
194.15501	3.3
195.01753	1.1
196.97975	0.8
197.12917	1.0
199.02913	1.0
201.00687	1.8
201.12320	5.8
202.01880	0.9
203.02171	0.8
203.03975	1.0
205.00307	0.8
205.02039	3.5
205.03784	1.2
205.08208	2.0
206.07028	3.1
207.05392	1.1
208.02843	8.1
211.10783	0.8
211.18167	0.9
212.16458	28.8
213.16621	1.0
215.13951	1.1
216.01843	1.3
217.03818	6.5
219.01657	5.1
220.02863	6.3
221.05080	1.6
223.01210	1.2
223.03114	1.6
224.08081	4.8
226.03900	6.4
229.11853	1.4
229.19127	1.7
230.17511	58.0
231.17802	1.8
232.08615	0.7
232.96581	1.2
233.03375	2.1
233.05988	2.2
235.04816	1.8
236.02322	0.9
237.02805	10.6
238.03816	5.6
240.01794	0.7
247.04919	0.9
247.20184	8.7
248.08038	1.5
249.05617	0.8
251.02260	1.5
251.04482	17.0
251.09604	2.0
255.03931	1.0
259.04214	1.2
259.06555	2.1
269.05695	4.3
269.10629	1.7
274.06085	1.0
274.97253	0.9
276.07388	0.9
277.04941	11.1
277.07571	8.4
279.03888	0.7
283.23843	0.9
285.10687	21.2
285.13861	1.3
286.10971	1.4
286.14624	0.6
293.05527	2.9
295.05939	10.3
295.08606	11.8
296.09009	0.7
300.06482	1.5
301.14304	1.3
301.24854	35.7
302.25201	0.9
313.09595	8.6
314.10229	0.8
318.07495	0.8
318.11044	1.1
318.22375	5.6
318.27515	58.8
319.06879	6.2
319.13763	5.5
319.15155	5.0
319.27869	2.7
331.10388	0.8
337.07968	4.9
337.16370	0.9
342.17047	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1699
Annotation	2-Nitroestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
55.05507	1.0
57.07079	0.7
60.04517	0.7
65.03934	2.5
67.05512	1.1
69.07066	8.6
69.31323	0.4
69.31726	2.4
70.06601	0.5
72.00881	3.3
73.32425	0.3
79.05504	0.6
81.07054	1.9
83.08608	0.5
85.06543	0.4
88.07593	0.4
91.05471	0.5
93.03418	1.3
93.04832	0.3
95.01344	0.4
95.04960	0.7
95.08607	1.1
98.20760	0.4
102.09177	0.4
105.07018	0.3
107.08612	0.5
109.10175	0.5
111.04419	0.3
111.11762	1.4
121.02882	1.8
123.04424	25.5
123.11685	0.5
124.04779	0.4
127.07700	0.3
131.01289	2.6
133.10095	0.3
136.05182	0.8
137.05980	1.0
138.85042	0.3
139.03853	0.3
148.03925	0.4
149.02333	28.8
150.03058	1.1
151.03796	0.5
157.09970	0.3
163.03911	2.3
164.04689	5.8
167.03397	61.3
168.03726	1.4
175.03818	0.5
176.03337	2.0
177.04195	6.9
177.05452	0.5
190.04926	1.7
191.07068	0.8
194.04482	100.0
195.04820	2.6
208.06053	5.1
217.08577	0.7
218.51564	0.3
219.02299	0.3
222.07607	0.9
232.03262	0.5
232.46904	0.3
233.04413	0.3
234.04807	0.8
234.07210	0.3
250.10692	0.4
256.26395	0.9
262.10684	1.0
273.14841	3.2
300.20142	0.4
300.28699	0.3
311.53824	0.3
318.13446	0.5
318.16998	7.6
318.20743	0.7
318.24319	0.5
318.29953	2.3
319.17026	0.5
319.24261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.17
Annotation	2-Nitroestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
50.64451	1.2
53.03947	1.3
55.01869	1.6
55.05507	2.3
57.07056	1.5
57.99525	0.9
64.20632	0.9
65.03935	0.9
67.05502	5.5
67.05787	0.9
69.03430	4.4
69.07072	4.5
70.06566	1.7
70.58416	2.0
70.58784	2.0
71.04987	3.0
72.00887	4.8
76.17099	0.9
77.03935	8.0
79.05489	5.5
81.03416	1.0
81.07057	7.9
83.08612	1.5
85.06528	1.0
91.05463	5.8
93.07053	4.2
95.04987	2.0
95.08626	4.3
97.06516	2.7
105.03383	4.0
105.07017	2.0
107.04961	9.1
107.08585	5.4
109.06481	1.2
109.10173	9.3
110.10487	1.3
111.08107	1.2
115.05402	0.8
117.07040	1.6
119.08566	2.5
121.02787	1.0
121.06480	2.1
121.10126	4.8
123.04442	2.6
123.11726	7.3
124.04824	1.2
125.09679	1.4
129.07079	1.2
131.04890	1.4
131.08600	5.0
133.02861	43.8
133.06500	4.3
133.10141	2.1
134.03659	5.1
134.06056	1.5
135.04425	49.0
135.11705	0.9
138.05441	1.0
139.11215	1.3
141.06931	1.2
143.08537	1.5
144.05666	2.0
145.06493	2.4
147.04420	8.4
147.07990	2.4
149.02342	5.6
149.06006	4.2
149.09621	1.5
150.02701	1.5
151.02870	1.5
151.03929	14.3
157.06474	1.6
159.08057	6.4
161.05966	3.2
161.09644	7.1
167.03404	2.7
168.03741	3.5
169.03975	2.7
171.08060	4.1
173.09651	3.1
174.05563	1.4
175.07510	6.8
177.09114	14.8
178.05002	32.7
185.09625	4.9
187.07542	3.7
187.11159	1.0
189.09105	1.5
190.04921	1.7
192.06612	2.0
194.04492	4.8
195.04767	5.0
196.04996	5.1
199.07535	2.0
203.10672	12.7
213.12743	1.6
216.06816	1.0
218.02098	4.4
227.14346	4.4
229.15808	1.8
231.02899	3.9
233.04437	6.2
242.04536	1.3
245.15337	1.1
255.13812	13.2
273.14865	100.0
274.15152	3.7
282.15109	1.1
291.15921	13.8
300.16000	14.6
318.09894	1.6
318.17065	19.5
318.24469	2.6
318.30087	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	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01869	3.6
56.05036	2.8
56.96569	2.7
57.03428	6.0
58.06592	1.7
60.04517	3.6
61.02916	8.6
67.05505	3.2
68.05064	2.2
69.03429	20.9
69.07060	1.9
70.06589	7.9
70.77914	5.6
71.04986	4.1
72.08162	12.0
72.93787	2.5
73.02923	4.6
78.24760	1.8
79.05473	2.5
81.03419	8.6
81.07032	2.5
83.04993	1.8
84.04515	6.8
84.08134	7.8
85.02905	100.0
86.09700	25.7
87.10043	2.1
88.03971	3.1
91.03961	5.4
91.05468	3.5
93.07046	5.0
95.04984	2.3
96.04526	1.8
97.02892	26.1
99.04449	5.4
102.05559	4.3
103.03911	1.9
105.03407	2.5
105.07073	1.8
107.08623	2.1
109.02874	7.2
111.04485	1.9
112.07590	2.1
116.07047	2.1
121.06503	66.5
122.06900	2.2
123.94147	1.9
124.03923	1.9
127.03912	22.4
129.10297	3.0
132.10217	4.6
137.09698	1.7
138.05484	4.5
138.09151	6.6
141.06580	2.9
145.04953	35.6
147.93369	1.8
156.06592	6.1
156.10181	12.6
157.06471	2.0
159.07707	7.2
159.23535	1.8
162.07637	2.7
162.96964	1.8
163.06023	5.3
173.12883	2.4
174.96936	2.0
175.07410	3.0
180.08679	12.7
187.07500	13.8
201.12315	13.6
205.08583	6.0
217.08591	2.1
218.08150	3.0
229.08588	2.4
230.17560	5.0
234.98972	3.3
236.28326	1.8
246.07698	1.9
247.09677	4.3
277.07437	2.2
295.08499	2.1
298.56308	1.7
318.06140	2.3
318.15668	2.1
318.27554	3.7
319.13666	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	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01865	0.5
55.05498	1.0
55.63236	0.2
56.05051	0.6
57.03427	1.1
60.04515	0.6
61.02936	1.6
63.16085	0.3
67.05499	1.0
69.03429	5.0
69.07074	3.4
69.61608	0.9
69.62015	0.9
70.03761	0.3
70.06595	2.2
70.07413	1.3
71.04977	0.7
72.08158	1.7
73.02902	0.6
79.05488	0.5
80.04984	0.3
81.03416	2.1
81.07050	0.6
82.02928	0.3
82.03733	0.3
82.06573	1.2
83.04967	0.5
83.08619	0.4
84.04494	1.2
84.07681	0.2
84.08142	1.5
85.02437	0.4
85.02910	6.4
86.09715	3.0
86.17723	0.3
87.04463	0.9
87.05575	0.4
91.03961	0.4
91.05493	0.6
93.07038	1.6
95.04964	0.3
95.08609	2.0
96.04506	3.4
96.08141	2.0
96.08668	0.3
96.08942	0.2
97.02898	3.6
97.05254	2.1
97.05795	0.2
97.06522	1.3
99.04455	1.1
100.07615	1.2
103.03933	0.4
108.08093	0.3
109.02876	1.6
109.06515	0.7
110.06049	5.4
110.07176	0.4
110.09692	3.2
111.08096	1.0
112.08762	0.3
115.07558	0.6
120.08121	1.7
121.02885	0.5
121.06509	1.0
125.08356	0.6
126.09158	9.8
127.03913	1.6
128.10770	0.7
129.10217	0.6
130.06522	0.3
134.09782	0.3
136.07591	0.5
138.05557	0.5
138.09146	21.6
139.07545	1.5
139.09564	0.3
142.19447	0.3
145.04965	0.9
149.86826	0.3
152.10738	0.3
156.10204	100.0
157.10605	1.6
162.09210	0.3
168.10201	1.1
173.12889	1.8
180.10233	0.7
198.09305	0.3
198.11278	0.7
199.03842	0.3
201.12318	0.4
214.08626	0.3
221.55418	0.3
222.11316	0.7
230.17520	0.6
277.13034	0.8
284.09085	0.4
301.11758	1.1
301.24985	0.4
302.12561	0.6
318.06766	0.9
318.11032	0.4
318.15274	1.5
318.27524	0.6
319.04382	0.6
319.15482	0.6
332.57608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01851	1.3
55.05499	1.6
56.05028	1.6
56.96571	3.2
57.03423	1.5
60.04501	1.1
61.02922	3.4
63.37743	0.6
67.05489	2.9
68.05007	2.1
69.03429	10.0
69.07052	2.1
70.06599	7.4
71.04988	0.9
71.51506	0.8
72.04498	0.7
72.08155	26.9
73.02906	2.4
74.06058	1.3
75.05592	1.8
76.04030	0.8
81.03417	3.9
81.07072	0.8
82.06582	1.1
83.04973	2.4
83.06126	1.1
84.04503	8.6
84.08141	4.7
85.02906	20.8
86.09706	47.0
87.04447	1.2
87.10028	0.8
91.03938	1.3
91.05463	0.9
93.07034	0.8
95.04961	1.6
95.08600	1.4
96.04492	26.7
97.02895	7.9
97.31322	0.6
98.06013	0.9
98.97572	2.1
99.04439	2.3
100.07590	0.9
102.05550	3.4
103.03915	0.8
105.03375	0.7
109.02859	3.1
110.06012	1.7
110.07169	1.9
111.04460	3.4
112.07634	1.1
112.11240	0.9
114.05550	3.3
116.07113	0.9
119.08543	1.0
120.01955	0.7
120.08131	1.1
121.02888	0.9
124.03951	0.8
126.05509	0.8
127.03915	5.4
128.07074	4.2
129.06590	1.1
129.10231	2.4
130.04977	1.0
130.10571	0.8
133.21315	0.6
134.05975	1.0
136.07559	1.5
138.05498	44.6
138.09065	0.9
139.03891	3.1
139.06287	1.5
141.06584	1.4
142.03210	0.6
143.11800	7.6
145.04958	2.8
148.06003	3.6
152.07047	1.2
154.04990	1.1
156.06551	100.0
156.10181	2.6
157.05045	0.8
157.06810	1.2
157.13359	3.2
168.06535	0.9
170.08052	0.9
171.11295	2.4
175.02597	0.9
180.06560	2.3
185.16495	16.3
189.06599	2.2
197.12891	4.8
198.07693	1.9
201.12480	0.8
205.11885	0.7
212.16379	2.2
213.15935	6.2
215.13988	2.1
217.03897	1.1
222.07668	1.4
225.12325	1.7
230.17552	3.9
234.99054	1.7
243.13487	0.9
250.13702	0.7
250.98785	0.8
276.10785	1.3
277.07599	0.8
295.08578	1.5
301.24811	2.3
313.09583	1.2
318.08560	1.1
318.11914	14.0
318.15527	1.1
318.20776	1.5
318.27542	4.1
319.07047	1.9
319.13000	0.8
337.08096	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17121	1.0
53.03932	1.2
53.25850	0.9
55.01867	1.8
55.05497	4.1
56.05013	2.1
56.96564	9.6
57.03431	2.6
58.06586	1.4
59.53498	1.1
60.04521	1.7
61.02929	1.3
64.30182	0.9
67.05491	2.8
69.03422	6.3
69.07066	6.6
70.04075	1.6
70.06586	13.4
71.02478	2.3
71.04982	1.7
71.52062	1.4
72.08153	72.3
72.93786	1.1
73.02930	2.1
74.06070	1.5
74.23318	1.0
81.03395	2.0
81.07079	1.0
82.06562	1.2
83.04968	1.5
84.04504	9.3
84.08134	11.1
84.14002	1.0
84.96040	1.2
85.02901	9.9
85.06532	3.9
85.08481	2.3
86.06069	1.3
86.09702	100.0
87.04452	1.4
87.10041	1.5
91.05463	1.5
95.04984	0.9
95.06104	2.0
95.08598	1.9
96.04504	1.2
97.02889	3.7
98.02437	1.1
98.03551	5.9
98.06033	1.7
98.97576	8.2
99.04382	0.9
101.07117	0.9
102.05539	4.1
105.03378	2.6
109.02846	2.2
110.06037	5.1
110.07159	2.5
111.06367	1.0
112.07593	1.7
112.11287	1.4
114.05556	1.1
115.06194	4.8
115.08710	1.0
116.07072	1.7
116.98621	4.7
118.08661	1.6
119.01898	1.3
120.08047	2.4
121.02859	0.9
124.03877	2.0
125.04591	1.2
125.06979	11.0
126.05372	3.9
126.07742	2.3
127.03900	2.7
128.07127	1.1
128.98662	1.4
129.10246	2.9
130.05000	3.3
130.08604	1.4
130.10594	1.1
131.00137	1.4
134.99643	2.6
136.03889	1.5
136.06155	5.5
137.04581	1.1
137.05952	1.2
137.09630	1.5
138.05496	15.7
140.96329	1.3
141.04099	1.1
141.06519	4.3
142.04910	1.4
143.05592	9.3
143.11781	4.5
144.12029	1.0
144.95909	1.1
146.99666	1.6
147.07649	2.5
148.06032	4.3
152.05733	1.6
152.06992	1.0
153.06462	7.7
154.04956	3.2
154.07195	4.6
155.08171	1.3
156.06557	22.2
156.07794	1.8
156.10220	3.4
157.13356	11.9
158.99583	1.0
159.07613	1.5
170.04427	1.0
171.11237	1.9
171.14922	5.0
173.09201	1.7
174.00772	1.6
175.02776	1.8
177.00761	2.0
177.08725	1.0
185.12912	5.2
185.16486	27.3
186.06215	4.7
189.12302	1.1
193.03819	2.2
197.12904	1.3
199.14421	2.5
201.00618	1.4
201.12312	2.6
205.08241	2.1
205.11795	1.3
212.09087	1.2
212.16403	5.0
213.15939	14.2
217.03859	2.6
219.01625	2.2
219.13405	1.9
230.17490	8.0
234.98994	2.4
237.02631	2.0
247.12801	1.4
247.20233	1.2
257.11243	2.4
277.07605	2.1
295.08954	4.5
300.14813	1.1
300.19131	1.3
301.24738	4.5
313.09576	2.9
318.11771	1.1
318.15677	1.1
318.20660	3.3
318.27350	8.7
319.06915	2.6
337.07977	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	318.0972
Annotation	Buxifoliadine-H
Peak:m/z	Relative Intensity
53.13421	0.3
55.05502	0.9
65.80356	0.3
67.05486	0.7
69.07067	0.7
70.06584	0.4
70.56842	1.2
79.05488	0.4
81.07034	1.0
83.04948	0.4
84.08157	0.4
86.09663	0.4
89.07830	0.4
91.05477	0.8
93.07037	0.8
95.04958	0.3
95.08600	1.1
98.06071	0.7
107.08561	0.8
109.10168	0.8
111.08048	0.4
119.08561	0.5
132.04416	0.6
135.04453	0.4
138.05515	0.5
156.57855	0.4
158.06078	0.6
171.06755	0.9
172.07607	0.9
178.04950	0.6
183.06659	0.4
184.07574	0.8
186.05486	6.2
199.06343	1.1
200.07080	4.2
212.07111	0.7
214.04964	4.2
215.05516	0.5
216.06674	0.8
216.10295	0.4
219.02342	0.5
225.04214	0.6
227.05663	0.4
228.06558	4.2
229.07327	13.4
230.04341	0.4
230.07671	0.8
231.05237	0.4
234.04808	0.4
240.06511	3.2
242.04485	4.9
243.05266	0.8
245.06760	0.6
253.03691	0.4
255.05173	0.4
256.06006	5.7
257.06839	33.6
258.04059	0.8
258.07266	1.3
259.04672	1.2
260.05566	3.4
268.05957	1.2
270.04105	1.7
271.04550	0.5
272.05560	2.9
272.09137	1.0
273.06308	0.8
274.07089	3.8
284.05576	1.4
285.06317	45.9
286.03516	1.2
286.06854	1.6
287.03912	0.4
288.05014	6.2
288.07947	0.7
289.05646	0.4
300.08640	4.9
302.06613	7.3
303.07349	14.8
304.07626	0.5
318.09711	100.0
318.24271	6.7
319.10034	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	317.2474
Annotation	Cannabigerol
Peak:m/z	Relative Intensity
55.05505	14.1
57.07073	10.4
65.03957	3.7
67.05504	79.4
69.07067	24.1
69.30321	31.4
71.08626	5.9
79.05488	29.2
81.07056	80.0
83.04977	5.7
83.08623	16.2
85.06540	10.0
86.17460	3.4
91.05479	35.4
93.07057	43.0
95.04964	7.8
95.08601	72.7
95.09171	4.6
97.06532	4.6
97.10184	5.2
105.07038	35.0
107.08597	25.7
109.06533	8.7
109.10143	40.1
116.27449	3.2
117.07030	10.5
117.15099	3.2
118.06995	3.4
119.08586	40.5
121.06519	5.5
121.10135	24.9
123.08035	4.6
123.11716	17.2
128.06212	3.4
129.06990	5.6
131.08571	21.4
133.10135	28.1
134.31635	4.3
135.08057	12.0
135.11678	16.2
137.09656	5.9
137.13303	6.1
143.08557	6.0
145.10126	24.7
147.08012	7.2
147.11690	15.4
149.09631	5.5
149.13278	9.4
151.07561	4.7
151.14822	3.7
155.08556	6.1
157.10146	10.0
159.11670	20.3
161.09619	4.6
161.13249	9.3
163.11206	4.7
163.14864	5.2
165.09116	8.1
171.11732	4.3
173.13234	14.2
175.03891	13.0
175.14795	6.6
179.10692	5.2
187.11098	4.0
187.14850	10.4
188.01070	3.9
189.16277	5.1
191.10706	5.2
193.12227	4.0
199.14606	4.0
201.16435	6.8
203.03395	15.5
215.14349	4.2
215.18134	4.4
218.02077	24.1
231.02873	37.6
233.04428	61.2
234.04858	5.1
241.19432	9.5
243.21127	5.7
245.22771	6.7
259.20587	10.7
261.18472	4.0
271.24149	28.6
275.23584	6.0
281.22809	6.2
289.25256	10.4
299.20316	6.6
299.23648	24.2
317.06390	4.4
317.10291	4.5
317.21265	7.5
317.24741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2473
Annotation	17-Hydroxy-5alpha,17alpha-pregn-1-en-3-one
Peak:m/z	Relative Intensity
53.03945	3.3
55.01871	2.1
55.05511	14.0
57.07077	9.1
65.03929	3.8
66.30352	1.4
67.05508	48.5
69.07076	15.9
71.08601	4.1
71.52843	1.7
76.73294	1.4
79.05498	19.0
81.07059	48.4
83.04964	1.9
83.08622	10.8
83.32242	1.4
85.02911	2.2
85.06545	8.2
85.10163	1.7
91.05487	27.2
92.05781	1.5
93.06486	2.5
93.07042	30.3
95.04961	9.1
95.08611	41.0
97.06513	4.2
97.10158	4.1
105.07027	25.2
107.04939	2.4
107.08595	18.5
109.06508	4.6
109.10154	19.8
111.04470	3.1
111.08080	4.6
115.05478	2.0
117.07019	14.4
117.75336	1.5
119.08578	18.7
121.06491	2.5
121.10140	17.2
123.04441	1.6
123.08073	4.8
123.11678	9.5
125.09630	1.6
128.06195	1.9
129.07001	5.3
130.07834	2.3
131.08563	36.4
133.06508	1.7
133.10130	19.8
135.08080	6.8
135.11673	7.6
136.49162	1.5
137.09628	5.7
137.13251	4.6
139.07564	3.3
143.08580	5.6
145.10120	36.8
147.04337	1.8
147.08037	3.3
147.11699	12.5
149.09607	5.7
149.13258	5.3
151.07555	2.3
151.11127	3.5
151.14810	3.2
153.09093	2.6
155.08534	2.6
157.10126	3.8
159.08012	2.4
159.11694	18.2
161.09610	3.5
161.13254	6.4
163.07553	2.6
163.11176	3.1
163.14830	4.8
165.09116	3.2
167.10652	1.9
169.10152	2.6
171.11665	5.1
173.09607	2.9
173.13315	9.2
175.03879	11.5
175.11270	2.6
175.14828	5.4
176.04268	3.0
177.04445	4.3
177.09116	6.4
177.12766	2.5
177.16382	4.5
179.10593	2.9
183.11742	3.4
185.13245	3.8
187.14783	7.6
188.01035	2.0
189.12706	2.8
189.16397	4.0
191.10692	3.4
191.17851	1.8
193.12253	1.9
197.13251	2.9
201.12767	3.6
201.16394	3.8
203.03418	5.1
204.63733	1.6
205.12247	5.6
207.11765	2.0
215.14403	2.2
215.17999	2.4
217.01320	1.8
217.15973	1.6
218.02127	17.9
219.13821	3.0
221.09642	1.5
221.15570	2.2
229.19594	2.2
230.02121	2.7
231.02879	31.4
232.03244	2.8
233.04459	39.3
235.16945	1.9
241.19440	6.7
243.21028	5.2
245.22813	2.7
257.18893	1.7
257.22708	2.3
259.20578	6.3
261.12729	2.4
270.49710	1.6
271.24222	33.9
272.24640	2.5
273.12717	1.7
275.23611	2.7
281.22626	5.7
289.25284	6.9
299.20316	2.2
299.23630	20.8
303.17392	5.4
317.06644	3.5
317.10162	3.5
317.15692	2.7
317.18973	13.1
317.24759	100.0
318.19601	7.5
318.25037	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	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
54.66220	4.9
55.05503	18.5
57.07066	7.4
65.03922	5.6
67.05507	59.6
69.03428	5.8
69.07059	51.5
72.25184	4.0
79.05490	20.5
81.07058	47.2
83.04963	10.5
83.08614	13.5
85.06535	10.5
91.05465	26.4
93.07055	36.7
95.04985	10.1
95.08613	73.6
97.02847	5.5
97.06519	16.4
100.31219	4.1
105.07050	45.9
107.04944	7.5
107.08582	39.8
109.06531	5.1
109.10163	64.6
111.04438	21.7
111.08065	9.6
117.06988	8.0
119.08587	57.8
121.06483	10.8
121.10110	22.6
123.08070	18.5
123.11693	26.4
131.08556	17.6
133.10115	38.1
135.08069	6.8
135.11707	11.2
137.09634	42.8
137.13249	21.7
143.08559	11.0
145.10138	21.9
147.08109	9.1
147.11671	17.9
151.07675	4.7
151.11168	12.9
155.08543	8.9
157.10123	13.0
159.11726	21.9
161.09651	4.7
161.13219	13.1
163.07599	5.9
169.10110	12.8
171.11696	8.6
173.09747	5.6
173.13278	16.8
175.03932	10.7
175.07585	4.8
183.11676	11.8
185.13223	5.3
187.11266	8.7
189.12727	5.5
197.13226	14.5
199.11305	4.9
199.14784	9.6
201.12691	11.2
203.03395	5.0
205.12219	6.7
211.14850	6.4
215.14340	11.4
215.17973	8.3
217.12228	7.2
218.02054	23.0
229.12227	5.6
229.19478	8.6
231.02834	25.3
231.13870	12.3
232.03487	4.9
233.04480	32.9
235.13255	4.7
239.18034	8.1
243.13782	17.2
244.38567	4.9
253.19620	8.3
257.15408	6.3
257.19003	12.8
261.14838	16.3
271.20529	11.6
275.20010	13.5
281.18954	8.8
299.20169	36.6
317.21091	100.0
317.24646	9.5
317.32367	7.6
318.21329	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Bacillariolide I
Peak:m/z	Relative Intensity
53.03935	2.3
55.01863	1.5
55.05505	11.9
57.07074	3.1
65.03922	1.8
67.05508	31.9
69.03417	3.8
69.07070	16.2
69.07427	1.9
69.09180	1.4
69.56337	8.8
71.04999	3.4
79.05494	19.0
81.07058	30.0
83.04961	4.1
83.08627	8.4
85.06542	11.7
91.05479	17.3
93.06482	2.4
93.07047	32.5
94.03455	1.2
95.04955	4.8
95.08604	44.4
96.08913	1.4
97.02886	4.2
97.06535	11.9
97.10165	4.2
103.05490	1.4
105.06317	1.3
105.07027	33.7
107.04952	3.3
107.08595	52.2
109.06511	7.3
109.10160	46.3
111.03719	2.4
111.04441	21.4
111.08089	7.5
115.05458	1.3
117.07020	9.5
119.04918	1.3
119.08586	47.6
120.08915	2.3
121.06512	5.5
121.09330	2.1
121.10145	28.5
123.04450	7.3
123.08059	9.2
123.11676	8.9
125.05994	3.5
125.09642	2.1
128.06163	1.6
129.06992	4.6
131.08565	15.0
133.06512	4.5
133.10138	40.4
135.08063	10.9
135.11693	14.8
136.17909	1.1
137.06018	2.9
137.09607	28.1
137.13185	2.2
139.03845	1.1
139.07523	3.7
139.11172	1.2
142.07770	2.4
143.08560	10.1
145.06535	1.5
145.10126	21.5
147.08057	5.1
147.11691	18.3
149.02356	12.4
149.05984	1.7
149.09616	2.9
149.13264	5.9
151.07587	1.4
151.11176	21.4
155.08565	4.4
156.09364	2.1
157.10107	15.8
159.08040	5.3
159.11707	24.3
160.12517	1.3
160.13852	1.1
161.09641	4.9
161.13263	15.2
162.01129	1.1
163.07492	1.8
163.11191	5.4
163.14827	25.3
164.04651	1.7
164.15181	2.2
165.09178	3.7
165.12714	2.2
167.03409	12.6
167.08577	1.7
167.10651	1.4
168.09346	2.2
169.10176	5.5
170.10999	2.8
171.11714	11.7
172.12149	1.7
173.09630	3.1
173.13272	13.5
175.07541	1.7
175.11174	5.0
175.14807	5.4
177.04216	2.7
177.09119	2.8
177.12776	2.9
178.13472	1.9
179.10655	3.4
181.10107	1.9
181.12292	1.6
183.11751	6.5
185.09630	2.3
185.13261	6.8
187.11172	12.3
187.14809	7.1
189.12859	1.9
189.16376	3.9
191.10701	3.1
191.14345	2.0
193.10234	1.4
193.12299	3.2
194.04504	31.7
195.11731	1.4
197.09555	1.6
197.13316	8.3
199.11137	2.6
199.14809	6.7
201.12758	3.4
201.16429	5.7
203.10663	2.3
203.14278	1.7
205.12233	6.7
205.15858	5.5
207.17397	3.4
209.13176	1.8
211.11270	3.3
211.14853	4.5
213.12909	1.8
213.16293	7.6
215.10716	3.2
215.14314	3.7
215.17931	4.6
217.12230	3.7
219.13814	3.6
223.14876	1.8
225.12708	2.7
225.16275	1.6
227.14305	2.0
227.17949	3.9
229.12263	8.1
229.16104	1.4
229.19478	2.4
231.02779	2.1
233.04434	3.4
233.15408	2.7
237.16408	4.1
239.14249	1.6
239.17889	6.5
241.15889	2.4
243.13745	5.5
243.17503	1.5
245.15341	2.4
247.13266	2.0
253.19511	9.1
255.17447	2.3
255.21191	1.6
257.15167	2.3
257.19043	13.8
259.16919	1.6
263.17950	3.3
271.20557	11.3
273.18567	3.2
275.20065	20.0
281.18988	10.6
289.21567	2.1
299.20081	51.7
300.20547	2.1
317.21118	100.0
318.17297	2.0
318.21399	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	317.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01865	1.6
55.05500	2.9
56.05030	3.0
56.96563	29.9
57.03430	1.6
57.07068	0.8
57.49292	0.6
60.04519	1.9
60.05649	1.3
61.02919	2.7
67.05494	2.3
68.05020	1.0
68.82835	0.6
69.03429	6.5
69.04553	1.4
69.07077	3.8
70.02972	0.7
70.06596	11.7
70.20309	1.2
70.20661	2.7
70.60210	0.6
70.75542	0.7
71.05000	1.5
71.06914	1.0
71.95275	0.8
72.08154	20.8
73.02905	3.0
73.06557	1.4
74.02431	5.1
74.06070	1.1
74.97617	1.6
75.05617	1.9
78.20763	0.6
79.05524	1.1
81.03417	2.6
81.07045	2.0
82.06577	0.9
83.06088	1.6
84.04504	11.4
84.08142	45.6
84.96027	3.9
85.02905	11.4
85.06540	1.2
85.08477	0.9
86.06060	0.9
86.09704	100.0
87.04491	1.0
87.05589	10.0
87.80073	0.7
88.03984	2.8
89.07170	1.0
91.03915	0.8
91.05470	2.4
93.07031	0.9
95.04978	3.0
95.08594	2.5
96.04490	0.9
97.02877	5.3
97.99172	0.7
98.03233	0.8
98.06065	1.2
98.09649	0.7
98.97584	28.4
99.04440	1.6
100.07656	0.7
101.06036	0.6
101.07137	2.2
101.10796	0.9
102.05536	2.2
102.97005	1.1
103.03920	0.7
105.03388	9.5
105.07045	1.2
107.08564	2.2
109.02891	2.2
109.10147	1.8
110.06053	1.7
110.07165	1.6
110.97540	4.4
111.04466	0.7
112.04021	0.8
112.07584	1.2
112.08728	1.5
112.99201	0.8
113.07125	0.8
114.05441	0.8
115.03915	1.5
115.08689	2.3
116.03466	1.7
116.07101	0.9
116.97823	1.4
116.98621	19.9
118.08665	1.2
119.01886	4.1
119.04991	0.8
119.08615	2.3
120.08073	1.0
121.02920	1.4
121.10108	0.8
124.03938	2.0
125.04368	0.7
127.03928	3.2
127.08691	0.7
128.07092	1.0
128.98621	6.6
129.10239	24.9
129.13889	0.8
129.88495	0.7
130.05008	10.1
130.06514	0.8
130.08640	4.3
130.09496	0.7
131.00183	1.7
131.01881	0.7
133.01819	0.8
133.06088	41.2
133.10127	1.5
134.99660	12.7
136.07590	1.7
137.02945	0.9
137.07915	1.1
137.09583	0.9
138.05492	7.4
140.00212	0.8
141.06575	1.1
143.00185	1.9
143.01913	1.0
143.08261	0.7
143.11794	9.0
144.06485	0.7
144.10219	1.1
145.01779	1.4
145.03539	0.9
145.04976	1.5
146.05923	0.9
146.99640	6.6
147.04425	0.8
147.07639	10.8
147.11275	4.6
149.01242	2.2
151.03896	1.0
152.98654	1.0
153.00739	1.1
153.06686	0.9
154.04984	1.0
155.04659	8.7
155.08174	1.3
156.06519	6.2
156.10214	0.9
157.07646	0.9
157.13358	43.6
158.99648	6.2
159.03256	0.8
159.11635	0.8
161.01231	4.5
161.03055	1.1
162.99152	1.0
164.05196	2.6
165.00673	1.1
169.09885	0.9
170.99629	1.8
171.03314	1.8
171.11354	2.0
173.01236	2.3
173.02884	1.0
173.04816	0.7
174.00667	0.8
175.02716	0.9
175.10707	1.6
177.00717	8.4
177.05945	1.4
178.01143	0.8
179.02251	0.8
183.11385	0.9
185.12859	16.0
186.12367	1.5
187.02827	1.7
187.07274	1.4
189.00836	1.9
189.04391	2.3
189.12402	1.5
191.02286	2.8
191.05832	1.3
191.54123	0.9
193.03831	0.8
195.01782	0.9
197.01236	3.5
197.12962	1.1
198.00624	0.8
199.02753	0.8
200.02406	0.8
201.00716	1.8
201.12448	1.0
203.08102	1.0
204.09888	2.1
204.13435	1.8
215.02258	10.8
215.07739	1.7
216.02057	1.0
219.01753	6.4
223.01225	1.2
227.02309	0.8
227.06723	10.2
227.57014	2.8
229.11928	1.2
231.05408	1.0
232.96547	1.3
233.03236	3.8
236.07211	4.8
236.57492	0.9
237.02783	11.4
238.03873	1.1
239.02235	1.0
242.09045	1.0
242.18617	0.9
245.03535	1.6
246.14583	2.8
247.10863	0.9
257.03659	0.8
260.04626	1.2
266.04468	1.0
269.10709	1.1
274.97540	1.0
275.04385	1.2
275.20212	0.8
277.07697	1.5
291.07666	1.8
292.98364	0.9
293.05252	0.8
293.10968	0.7
295.08386	4.1
299.16998	1.0
299.20166	1.6
300.10376	0.7
309.08609	4.6
313.09641	2.6
317.05136	6.0
317.08569	2.0
317.12314	4.6
317.21793	13.3
335.06500	7.8
335.10144	1.2
336.06921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
56.96550	2.6
59.31157	1.9
60.04519	1.9
67.05502	6.1
69.03411	7.2
69.07068	16.3
70.02953	2.6
70.06592	22.1
71.05013	3.2
71.07895	4.8
72.08154	13.0
74.06055	2.6
81.03407	5.1
81.07046	4.9
84.04499	3.9
84.08138	16.1
85.02887	5.9
85.04013	4.7
86.09715	11.7
88.03998	3.1
91.05477	3.5
91.57821	1.9
92.04936	2.1
93.07027	3.9
94.02829	2.1
95.08583	5.2
97.02869	3.4
97.04020	7.1
98.04773	3.2
99.04462	3.4
99.59220	2.1
102.05572	3.8
105.07040	3.1
107.08604	3.0
109.02924	3.2
109.10201	4.8
110.07231	3.3
113.03453	6.8
115.07574	2.7
119.08636	2.4
120.08121	3.4
121.03967	8.0
121.10134	2.5
125.03465	8.7
126.04258	4.0
127.03925	5.5
129.10231	8.7
130.06523	72.6
132.04451	25.5
132.06744	2.2
133.05208	5.1
133.10121	3.7
134.06035	13.9
137.03450	5.1
137.05940	3.5
139.04974	2.5
140.04745	3.0
146.06009	16.5
147.07635	3.7
149.03468	11.0
154.08627	4.5
155.04422	6.9
155.05965	5.0
155.07053	5.2
155.08919	5.9
157.06406	2.0
157.07620	37.9
158.04779	3.5
158.06015	36.6
159.09180	3.6
159.11629	2.5
160.88124	2.0
165.02896	2.2
167.04552	17.3
169.07637	4.3
173.06908	2.2
174.05441	3.5
175.08618	7.4
181.05042	2.5
184.07237	3.6
184.08714	36.5
185.07098	13.7
199.08659	3.6
209.07135	4.4
211.08783	3.7
212.08206	17.0
213.06549	3.7
221.07211	2.9
227.08119	3.1
230.09306	10.2
231.04788	2.9
237.06592	33.0
239.08156	3.6
240.07713	31.9
245.09079	2.3
254.09258	7.6
255.07600	9.4
258.08719	35.4
271.10968	3.1
282.08725	91.6
299.11389	31.8
299.19986	2.3
300.09784	100.0
301.10135	2.5
317.06458	5.5
317.12015	16.7
317.21228	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	317.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
53.03951	3.5
55.01865	3.9
55.05511	1.9
56.05028	1.0
57.03428	2.3
61.48551	0.6
65.03938	1.1
67.05499	6.2
69.03415	3.8
69.07063	9.2
70.06589	6.1
71.04985	2.5
71.52865	1.2
72.08150	2.9
73.18909	0.8
74.02439	0.8
79.05489	11.6
81.03409	10.0
81.07056	5.1
82.06573	1.6
83.01338	0.9
83.04993	1.8
84.04507	1.9
84.08137	4.7
85.02895	1.7
85.06530	2.2
86.09705	27.8
87.04510	0.7
87.09505	1.0
87.10022	6.3
91.05484	3.9
93.03407	1.0
93.07084	3.2
94.02895	0.6
94.06564	1.2
95.01330	1.1
95.04984	4.8
95.08617	2.7
97.02892	2.1
97.06525	94.4
98.06062	2.6
98.06797	1.6
99.08119	1.4
100.07615	2.4
105.03390	2.4
105.07017	2.2
106.06567	1.3
107.04963	1.9
107.08574	2.3
109.02884	17.0
109.06545	1.9
109.10146	5.0
110.07180	0.7
111.04427	1.4
114.09165	1.1
115.05465	1.2
116.07097	1.4
117.07020	1.4
118.06516	1.3
119.08561	2.3
120.08095	2.8
121.02876	2.3
121.06478	0.8
121.10143	2.1
122.06093	0.9
123.04442	1.1
123.11678	1.1
124.07607	1.1
125.09666	0.9
127.03933	1.9
128.06242	0.8
128.07092	1.1
129.06956	0.9
129.10236	2.3
130.06525	26.7
131.08546	1.9
132.04459	2.8
132.08069	2.0
133.02806	0.9
133.06537	1.0
133.10161	1.3
135.04442	0.7
135.08057	1.5
135.11691	0.7
137.05991	1.4
137.09605	1.7
138.05502	0.7
138.09103	0.8
141.07013	0.9
142.07654	0.8
144.06573	1.6
144.08061	1.7
145.06488	1.2
145.10132	0.7
146.05974	7.7
146.09695	1.4
146.11787	0.7
147.08110	1.1
148.07544	2.3
149.02341	1.6
149.05966	0.9
151.03897	2.5
153.01859	4.6
153.06870	0.8
154.04961	0.7
155.08635	0.7
155.10637	1.4
156.06799	0.9
156.08055	2.9
157.07602	42.9
157.13344	4.5
158.06042	7.5
158.08051	1.0
158.09631	1.8
158.13701	4.9
159.08000	1.4
159.09181	1.3
160.07620	3.5
161.05994	1.1
161.09502	1.3
163.03862	1.2
163.07600	0.8
164.04724	1.6
165.05400	0.9
165.06940	0.7
167.03433	4.4
167.07008	0.8
167.08548	0.9
168.08029	1.2
169.07675	0.8
171.11668	0.8
172.07507	0.9
173.05980	1.8
173.09433	1.1
174.05443	0.8
174.09138	2.0
175.08708	4.3
177.05466	2.2
178.06268	1.7
179.07072	1.6
181.06384	1.3
183.09274	1.3
184.07573	2.9
185.07120	2.3
185.12953	1.9
186.05568	0.7
186.09105	1.3
186.13173	2.2
187.07596	1.4
188.07056	6.5
189.05421	0.9
190.24919	0.8
195.02898	3.5
199.07561	0.8
200.07091	0.7
203.08150	100.0
204.08456	2.9
205.09706	5.4
206.05745	6.6
209.07976	0.8
218.05705	0.8
219.10118	1.3
221.07864	5.0
227.11882	0.8
229.04915	1.6
237.13774	0.9
243.06395	0.9
245.04370	0.9
253.09769	1.2
255.14986	1.0
257.04584	1.1
257.08478	1.5
271.10620	1.9
271.14026	1.3
272.13806	0.9
274.04666	2.0
275.09036	1.5
285.03857	2.1
285.07309	0.9
299.10275	2.9
299.13840	24.8
300.14063	1.5
302.04221	5.9
317.02878	1.4
317.06509	20.7
317.10870	9.0
317.14874	21.4
317.21048	2.6
318.06747	1.4
318.09964	1.0
318.14886	0.9
318.18283	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.7
54.39582	0.7
55.01864	1.2
55.05498	1.7
56.05024	1.2
57.02918	0.8
57.03420	1.7
57.07064	0.9
60.04517	1.2
67.05508	3.9
68.99783	1.3
69.03429	28.0
69.07068	100.0
69.58990	1.9
69.59392	3.2
70.06586	6.8
70.07395	0.8
71.04984	3.4
72.08145	5.8
74.06058	1.1
74.49503	0.8
77.44634	0.8
79.05496	1.7
81.03415	11.3
81.07039	2.7
83.04955	1.4
84.04498	3.1
84.08141	11.1
85.02902	11.9
85.06518	0.7
86.09707	12.4
87.00826	1.8
87.04464	1.9
87.08111	8.1
87.10040	3.0
91.05463	2.6
93.07027	2.8
95.04962	1.5
95.08598	1.7
96.83104	0.8
97.02896	9.5
97.05280	1.0
97.06528	2.2
99.04448	8.9
103.05468	1.0
105.01829	1.5
105.07027	2.1
107.04948	1.1
107.08564	1.5
109.02863	6.1
109.06495	2.0
109.10157	1.5
110.06057	1.9
110.07182	2.1
111.04441	2.6
111.08138	1.0
113.06048	0.9
115.03934	0.9
115.07564	28.5
116.07079	2.5
119.08553	1.9
120.08123	2.1
121.06519	0.8
123.08086	0.9
126.09130	2.6
127.03926	10.8
129.06987	0.9
129.10236	7.8
130.06508	2.1
135.04388	0.9
137.09602	1.4
138.09175	5.8
143.03363	6.0
144.10197	1.1
145.04955	2.3
146.06024	1.4
149.06012	1.3
150.05498	1.7
151.03915	1.7
153.01833	1.8
155.07158	1.0
155.08560	0.8
156.10204	28.2
158.06021	1.3
161.05923	0.8
161.12874	1.0
164.07018	1.6
169.08704	0.9
173.12865	0.9
175.08743	1.3
177.05467	2.3
179.03357	0.9
184.07547	1.3
185.04388	1.0
188.10545	1.0
188.15541	0.8
189.03954	2.8
200.18381	2.2
203.05406	2.3
206.05725	1.2
211.12357	1.0
213.03905	5.1
213.11273	1.7
221.07925	1.0
229.09616	1.1
231.05008	5.3
243.11279	2.2
257.09247	1.3
271.10800	6.1
274.04602	0.8
275.11389	4.6
282.09784	1.4
285.04016	1.0
287.10309	2.6
289.11621	0.9
291.32578	0.8
299.11066	8.7
299.20007	1.0
300.10654	1.3
302.04156	2.5
317.02917	1.7
317.06525	11.9
317.11176	6.1
317.15051	2.1
317.21414	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	317.1018
Annotation	Isobyakangelicol
Peak:m/z	Relative Intensity
53.00321	0.4
55.05505	0.5
55.21030	0.3
57.07070	1.8
57.59880	0.3
65.03937	4.8
67.05503	20.3
70.87183	0.9
71.05007	0.4
77.62405	0.3
79.05499	0.5
81.03407	0.4
81.07066	0.5
83.43024	0.3
85.06543	13.1
86.06880	0.4
89.03925	1.1
91.05473	4.4
93.03413	0.3
93.07043	0.5
95.04949	0.4
95.08592	0.5
105.07024	0.6
106.73697	0.3
107.08604	0.5
109.02868	1.3
115.38706	0.3
117.03365	0.4
119.04963	2.1
119.08573	0.5
121.02891	0.3
121.06550	0.3
123.35049	0.3
131.04939	1.0
133.10127	0.4
134.03647	1.7
135.04401	0.5
135.35985	0.4
143.01279	0.7
145.02843	2.5
145.10101	0.5
147.00743	0.5
147.04402	2.5
149.02357	0.4
149.97823	0.3
153.01825	0.6
159.04379	1.9
160.01550	2.8
161.02335	0.9
162.03116	3.5
165.01874	0.4
169.06396	0.4
171.11699	0.4
172.01617	0.6
173.02309	1.0
174.03122	0.4
175.03903	27.4
176.04326	0.4
177.05438	0.7
187.03914	1.8
187.99249	0.3
188.01030	9.4
189.01837	1.4
190.02568	2.0
197.04524	0.5
197.13185	0.4
201.01813	0.3
202.02632	1.6
203.03395	18.3
215.03394	6.3
216.00620	0.5
216.04138	0.6
217.01328	4.5
217.04955	0.4
218.02104	44.6
219.02477	1.1
229.04941	0.7
230.02107	6.3
231.02882	69.4
232.03426	4.2
233.04442	100.0
234.04810	3.1
245.04440	2.7
249.03725	0.7
257.08066	0.7
273.07584	2.9
274.04688	0.5
299.09265	1.6
302.04123	0.7
317.06488	3.3
317.10205	4.5
317.21167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.102
Annotation	Byakangelicol
Peak:m/z	Relative Intensity
55.01853	0.2
55.05496	0.4
57.07073	1.8
65.03941	4.6
67.05502	20.5
69.07056	0.3
69.30931	2.6
76.96590	0.3
79.05489	0.6
81.03410	0.5
81.07052	0.7
85.06541	13.5
89.03908	1.4
91.05477	4.3
93.07020	0.5
95.01322	0.5
97.06506	0.8
103.05441	0.3
105.07016	0.6
105.63875	0.3
106.04160	0.5
107.08562	0.5
109.02860	1.3
117.03417	0.5
119.04938	1.8
119.08537	0.3
121.02844	0.4
123.93081	0.2
131.04926	1.1
133.02850	0.4
134.03656	1.4
135.04366	0.5
143.01233	0.7
145.02832	2.2
146.03600	0.3
147.00781	0.3
147.04422	2.6
151.03882	0.4
153.01793	0.8
157.07616	0.4
159.04469	1.6
160.01553	3.2
161.02365	0.7
161.13286	0.3
162.03133	3.2
172.01564	0.5
173.02245	0.6
174.03067	0.5
175.03902	27.6
176.04222	0.9
177.05458	0.7
185.06035	0.3
187.03865	1.6
188.01031	8.7
189.01761	1.2
189.05429	0.5
190.02621	2.1
201.01791	0.3
202.02626	2.0
203.03384	17.5
203.08112	0.5
204.03712	0.5
215.03377	6.5
216.00485	0.8
216.04007	0.6
217.01305	5.1
217.04735	0.3
218.02095	46.1
219.02361	1.7
229.04956	0.7
230.02113	6.1
231.02873	70.9
232.03416	3.2
233.04437	100.0
234.04749	2.6
245.04422	2.7
249.03979	0.8
257.08127	0.4
273.07544	2.5
285.03925	0.6
296.51752	0.3
299.09042	1.4
299.19962	0.4
302.04117	1.5
317.06534	5.3
317.10217	5.7
317.20920	0.6
318.06949	0.4
318.10461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1019
Annotation	Neobyakangelicol
Peak:m/z	Relative Intensity
51.09718	0.5
53.03929	0.5
55.05514	2.2
57.07069	2.4
57.62069	0.5
59.61251	0.4
65.03937	5.0
67.05504	25.1
69.07063	3.5
69.70465	3.0
70.06571	0.7
71.04960	0.5
71.08635	0.4
74.66633	0.4
79.05484	2.1
81.03407	0.5
81.07054	4.9
83.04960	0.7
83.08607	1.8
84.08147	0.6
85.06541	16.2
89.03938	0.9
91.05475	4.8
93.07053	3.1
95.04905	0.5
95.08611	7.6
96.44181	0.4
96.51163	0.5
97.06517	0.8
97.10164	0.9
99.08082	1.8
105.03362	0.9
105.07016	5.1
105.49187	0.5
107.04971	0.7
107.08594	5.7
109.02872	1.1
109.06512	0.7
109.10149	7.7
115.05466	0.5
117.03353	0.6
117.07014	1.1
119.04916	2.6
119.08576	3.7
121.02830	0.5
121.06488	0.8
121.10177	4.4
123.08072	0.9
123.11681	3.5
127.03893	0.5
131.04921	1.0
131.08556	1.2
133.10152	3.6
134.03581	1.3
135.04420	0.6
135.11681	3.6
137.09586	0.5
137.13223	2.2
139.11186	0.6
140.50201	0.4
145.02899	2.4
145.10094	1.8
147.04408	3.1
147.07968	0.6
147.11674	3.0
149.13234	1.6
151.14758	0.7
153.01862	1.0
157.10126	0.7
159.04402	1.9
159.11658	1.8
160.01553	3.0
161.02353	0.6
161.13245	1.3
162.03127	3.0
163.03978	0.7
163.07506	0.6
163.14795	1.7
165.12711	1.1
169.10065	0.6
173.02344	1.4
173.13258	0.7
175.03909	28.6
175.14842	1.0
176.04271	1.3
177.05513	1.3
177.16360	1.5
185.13271	0.5
187.03883	1.6
188.01044	9.0
189.01776	0.9
189.16365	1.4
190.02541	1.7
195.06439	0.6
197.04393	0.7
197.13365	0.7
199.14841	0.5
201.16368	0.7
202.02592	1.4
203.03400	16.8
203.06987	0.7
203.17970	3.7
204.00616	0.5
204.03813	0.7
215.03461	5.5
215.17986	0.5
217.01347	4.7
217.19510	0.7
218.02095	42.1
219.02513	1.5
229.04961	1.3
230.02075	5.6
231.02881	69.3
232.03415	3.9
233.04442	100.0
234.04851	4.1
241.08566	1.3
245.04417	2.4
249.04013	0.8
257.15033	0.6
273.07587	2.0
299.09097	1.3
299.20032	1.2
299.27338	0.5
302.04089	1.1
317.06537	5.3
317.10117	5.3
317.13910	0.9
317.17700	0.7
317.20990	2.5
317.24844	0.9
317.28400	5.0
318.10327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1018
Annotation	7-Methoxy-8-(2-acetoxy-3-methyl-1-oxobut-2-enyl) coumarin
Peak:m/z	Relative Intensity
55.01857	5.0
62.36164	1.3
66.13745	1.5
67.05482	1.6
69.03397	2.4
70.17371	6.7
71.04660	1.8
71.04994	23.8
81.03407	1.7
91.05469	5.3
93.07034	2.6
95.04971	5.0
95.08605	1.8
97.02871	3.5
98.29775	1.5
99.04457	100.0
103.05454	5.6
105.07044	2.4
115.05461	2.9
117.06999	1.7
118.04163	3.0
119.04915	4.5
129.07030	2.5
130.04129	2.3
131.04942	7.7
137.06029	2.2
139.05450	1.8
141.06985	6.9
142.07832	2.4
144.05710	2.3
145.06374	1.3
147.04407	4.6
152.06145	2.4
153.05663	1.3
153.06955	7.7
155.05046	1.5
155.08537	5.1
157.06491	3.4
158.07327	2.5
161.05949	1.7
165.06984	9.9
167.07095	4.0
167.08548	2.8
168.05623	7.0
169.06473	8.4
170.07243	3.5
171.04294	1.7
173.05983	1.9
174.03098	1.7
175.03851	5.3
176.04630	3.6
177.05522	1.8
178.83397	1.4
181.06451	6.1
182.07242	7.3
183.04411	2.7
183.07983	11.5
184.05234	1.9
185.05978	5.8
185.09615	4.8
186.06810	3.9
187.03978	2.7
187.07526	5.7
191.07063	21.3
192.04144	2.5
192.07802	4.7
195.08058	3.9
196.05165	8.5
197.05978	8.9
198.06721	5.9
199.07507	3.0
200.04768	1.9
201.08989	2.8
203.03293	5.8
203.07043	2.0
205.04935	3.9
205.08481	1.6
207.06560	4.1
210.06802	9.1
211.07527	16.9
212.04672	3.5
212.08315	1.8
213.05536	9.1
213.09116	9.5
214.06184	3.9
215.03629	1.7
215.06996	7.1
216.31125	1.6
217.04904	2.2
218.05684	3.4
219.06516	18.2
220.03534	1.9
220.07188	2.3
224.04558	4.0
225.05382	1.6
226.06236	2.8
228.07835	4.9
229.08502	10.0
230.09395	2.7
231.02933	2.9
231.06480	6.6
232.07181	2.0
233.04398	3.5
235.06001	21.1
238.06221	5.0
239.06984	6.7
240.07742	2.6
241.04988	6.5
241.08525	5.2
242.05739	5.8
243.02824	3.9
243.06558	8.7
243.10211	7.0
244.03621	2.8
246.08807	9.2
247.09605	7.9
255.06602	1.7
256.07306	11.3
257.08072	21.2
258.08743	9.6
259.05978	11.1
260.06726	4.4
266.05695	2.0
269.04486	3.2
271.09650	14.1
272.10150	2.5
273.07581	4.5
273.11179	20.3
274.04471	1.7
274.08389	2.4
275.09128	9.3
284.06842	11.0
285.07547	8.8
287.05420	3.0
289.10733	30.5
295.59509	1.7
299.09134	78.7
300.09607	3.3
302.07855	4.9
317.06686	4.7
317.10159	72.0
317.20935	1.6
318.10483	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1018
Annotation	Neobyakangelicol
Peak:m/z	Relative Intensity
55.05503	0.6
57.07064	2.2
61.42805	0.5
65.03939	5.2
66.80128	0.6
67.05505	20.0
69.07053	0.7
74.76003	0.5
81.07043	1.2
85.06547	12.8
88.68513	0.6
89.03910	1.5
91.05501	3.8
95.08597	1.2
105.07031	2.1
107.08590	1.6
109.02891	0.6
109.10140	1.0
111.04456	0.6
119.04935	1.7
119.08556	1.6
131.08524	0.7
133.10136	0.7
134.03619	2.1
136.25923	0.5
137.09601	0.8
143.01245	0.6
145.02841	2.4
145.10112	0.7
147.04398	1.7
147.11682	0.9
159.04446	1.0
160.01552	2.5
161.02290	0.8
162.03142	2.8
173.02290	1.3
175.03906	25.7
176.04276	0.8
188.01035	6.8
189.01874	1.1
190.02602	1.6
202.02568	1.1
203.03391	14.2
208.12395	0.7
210.95747	0.6
215.03423	5.2
216.00644	0.7
217.01303	4.5
217.98917	0.8
218.02103	42.7
230.02058	4.2
231.02892	60.4
232.03394	2.9
233.04449	100.0
234.04720	3.4
245.04460	2.2
273.07507	2.0
278.49408	0.7
299.19968	0.6
317.10156	3.3
317.21002	2.4
317.24603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1017
Annotation	variecolorquinone B
Peak:m/z	Relative Intensity
55.01852	4.4
55.05524	1.5
55.12517	1.1
58.49956	1.4
59.01999	1.1
67.05500	3.8
69.03421	2.7
69.07047	1.4
69.84702	1.9
69.85107	5.4
70.06571	1.6
71.04991	26.3
80.48752	1.1
81.03429	2.9
81.07056	1.8
82.11040	1.4
91.05475	5.3
93.07033	2.1
95.04961	4.7
95.08624	3.1
97.02911	2.8
97.06509	1.4
98.59116	1.2
99.04454	100.0
103.05465	5.3
105.03383	1.4
105.07027	3.6
107.04972	1.8
109.10178	2.7
111.04459	2.0
115.05453	3.5
115.26460	1.2
117.07005	1.6
118.04161	1.7
119.04933	3.6
119.08569	2.1
128.06256	1.5
129.07013	3.8
130.04141	2.1
131.04912	10.0
133.10120	2.1
140.06161	2.2
141.06960	7.0
142.07753	3.4
143.08533	2.3
144.05734	2.2
145.06494	2.1
146.03583	1.6
147.04391	4.1
148.05110	1.3
152.06204	4.2
153.01924	1.7
153.06956	8.7
154.07753	3.2
155.04884	3.1
155.08540	6.0
157.06473	3.2
159.04443	2.0
159.08055	1.7
161.05959	3.2
162.03166	1.4
163.14729	1.4
165.06999	10.0
167.07076	4.4
167.08524	2.4
168.05708	8.5
169.06512	10.6
170.07272	4.3
171.04344	3.0
172.05252	2.6
173.05981	3.0
174.03159	3.1
174.99802	1.4
175.03935	6.9
176.04654	2.2
177.05547	2.3
179.07097	2.2
181.04985	1.8
181.06480	5.2
182.07240	6.7
183.04395	3.0
183.08025	11.8
184.05301	1.5
185.05978	4.8
185.09641	4.6
186.06792	2.4
187.03822	2.3
187.07533	5.2
189.05493	2.2
191.07033	22.5
192.07770	4.0
195.08084	2.7
196.05206	8.6
197.05954	7.3
198.03183	1.6
198.06747	8.4
199.03853	1.4
199.07542	3.5
200.04616	1.9
201.05399	3.0
202.06094	1.5
203.03433	5.8
203.07104	2.1
204.04233	2.2
205.04901	4.4
207.06543	4.4
210.06758	7.6
211.07544	18.0
212.04675	2.8
212.08270	3.0
212.75380	1.3
213.05528	10.7
213.09068	11.4
214.06316	6.7
215.07036	7.3
217.05070	2.3
218.02190	1.8
218.05721	6.1
219.06528	15.6
220.03697	1.7
220.07253	2.4
221.08125	2.3
224.04704	3.4
225.05475	4.5
228.04144	2.1
228.07854	4.3
229.08609	9.9
230.09273	1.3
231.02954	3.1
231.06567	7.4
232.07291	1.6
233.04466	3.6
235.06004	21.5
238.06194	7.1
239.06950	6.5
240.04358	1.8
240.07704	2.0
241.05179	6.1
241.08624	8.7
242.05688	5.3
243.02890	3.8
243.06627	11.9
243.10088	7.2
245.11850	2.1
246.08891	12.6
247.09604	8.6
255.06509	2.5
256.07401	11.6
257.08102	19.7
257.14508	2.7
258.04861	1.3
258.08936	9.4
259.06030	12.2
260.06711	7.5
261.04086	1.8
266.05759	3.0
267.06525	3.8
269.04507	3.7
271.06152	1.1
271.07043	1.4
271.09695	12.6
272.10446	2.6
273.07681	4.2
273.11237	18.3
275.09134	9.5
284.06833	11.1
285.07434	8.2
286.03552	1.9
287.05496	5.5
288.05930	2.1
289.10690	31.6
299.09131	81.5
300.09149	5.5
302.04221	2.3
302.07779	4.6
303.08197	1.5
317.06784	4.3
317.10208	75.9
317.16360	2.7
318.10172	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1019
Annotation	Neobyakangelicol
Peak:m/z	Relative Intensity
50.01376	0.3
53.03926	0.3
55.05503	1.4
57.07067	1.4
60.43141	0.4
65.03936	4.7
67.05508	21.9
69.07062	1.1
70.56344	1.2
71.04979	0.4
73.16837	0.3
79.05484	1.3
81.07063	2.4
81.54325	0.3
83.04948	0.5
83.08636	0.6
85.06545	13.7
89.03928	1.1
91.05478	4.9
93.07047	2.3
95.05003	0.5
95.08604	3.0
97.06515	0.7
97.10162	0.4
99.08104	0.4
103.05486	0.7
105.03377	0.4
105.07050	2.2
107.08603	3.1
108.08202	0.4
109.02882	0.7
109.06487	0.5
109.10162	3.1
111.04444	1.5
111.08113	0.6
116.75964	0.3
117.07000	0.5
119.04918	1.5
119.08583	3.8
121.06470	0.6
121.10151	1.9
123.08078	0.9
123.11729	0.6
131.04890	0.6
131.08586	1.5
132.02094	0.5
133.10103	2.2
134.03658	1.1
135.08087	0.6
135.11720	0.8
137.09615	2.0
143.01268	0.6
143.08553	1.5
145.02864	2.5
145.10121	1.4
146.88193	0.4
147.04433	2.5
147.11684	1.5
151.11176	1.2
155.08522	0.9
157.10193	0.8
159.04427	1.4
159.08151	0.4
159.11720	1.4
160.01530	2.4
161.02327	0.6
161.09610	0.4
161.13225	1.2
162.03087	3.1
163.11124	0.5
163.14891	0.8
169.10071	0.6
171.11740	0.6
173.02332	1.0
173.13251	1.0
175.03911	25.1
176.04337	0.7
183.11662	0.9
185.13200	0.5
187.03897	1.6
187.11221	0.4
187.14877	0.7
188.01031	6.8
189.01796	1.2
190.02623	1.8
197.13252	0.8
199.14722	0.7
201.16354	0.7
202.02641	1.0
203.03392	14.8
215.03378	4.5
215.17848	0.6
216.00549	0.6
216.04083	0.4
217.01364	5.2
218.02112	42.2
219.02437	1.1
223.76361	0.4
227.14322	1.2
230.02110	4.5
231.02895	59.7
232.03436	3.1
233.04460	100.0
233.53000	0.4
234.04810	3.3
239.17963	0.6
241.53174	0.4
243.13922	0.6
245.04448	2.1
249.03984	0.8
257.18857	0.7
271.20502	0.8
273.07623	2.4
275.20059	0.9
281.19052	0.9
299.09119	0.8
299.19934	2.7
317.06668	0.7
317.10223	4.2
317.21136	6.2
317.24704	0.7
317.28415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.102
Annotation	Neobyakangelicol
Peak:m/z	Relative Intensity
55.05509	1.2
57.07073	1.9
59.04990	0.7
65.03938	3.6
67.05505	18.9
69.07074	0.9
71.18055	1.4
73.15182	0.5
79.05490	0.6
81.07040	1.5
84.01834	0.6
85.06550	13.8
89.03912	1.3
91.05492	3.6
93.07013	1.6
95.01311	0.6
95.04945	0.7
95.08588	2.0
105.07044	1.9
107.08593	1.7
109.02858	0.6
109.06434	0.5
109.10152	1.5
119.04915	1.9
119.08543	1.6
125.54230	0.6
131.04935	1.6
131.08556	1.0
133.06467	0.6
133.10149	1.5
134.03609	1.8
135.00842	0.5
143.01344	0.5
143.08533	0.6
145.02841	2.8
145.10123	1.2
147.04373	2.3
147.11668	1.1
157.10121	1.0
159.04413	2.3
159.11703	1.2
160.01572	3.0
162.03094	2.9
165.01823	0.6
173.02328	0.9
175.03918	26.2
176.04242	1.9
177.04311	0.9
183.11615	0.7
187.03876	2.2
188.01027	8.1
189.01855	1.2
190.02565	2.0
197.13255	0.8
198.46274	0.6
199.14777	0.7
202.02576	2.0
203.03419	14.9
215.03394	8.4
217.01321	5.1
218.02109	41.6
219.02448	1.2
229.05013	0.9
230.02119	5.6
231.02892	71.0
232.03464	3.7
233.04451	100.0
234.04744	2.9
245.04575	3.0
273.07629	3.2
299.09146	1.3
299.19989	1.4
317.06561	1.8
317.10196	7.1
317.20990	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	317.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01376	0.3
53.03926	0.3
55.05503	1.4
57.07067	1.4
60.43141	0.4
65.03936	4.7
67.05508	21.9
69.07062	1.1
70.56344	1.2
71.04979	0.4
73.16837	0.3
79.05484	1.3
81.07063	2.4
81.54325	0.3
83.04948	0.5
83.08636	0.6
85.06545	13.7
89.03928	1.1
91.05478	4.9
93.07047	2.3
95.05003	0.5
95.08604	3.0
97.06515	0.7
97.10162	0.4
99.08104	0.4
103.05486	0.7
105.03377	0.4
105.07050	2.2
107.08603	3.1
108.08202	0.4
109.02882	0.7
109.06487	0.5
109.10162	3.1
111.04444	1.5
111.08113	0.6
116.75964	0.3
117.07000	0.5
119.04918	1.5
119.08583	3.8
121.06470	0.6
121.10151	1.9
123.08078	0.9
123.11729	0.6
131.04890	0.6
131.08586	1.5
132.02094	0.5
133.10103	2.2
134.03658	1.1
135.08087	0.6
135.11720	0.8
137.09615	2.0
143.01268	0.6
143.08553	1.5
145.02864	2.5
145.10121	1.4
146.88193	0.4
147.04433	2.5
147.11684	1.5
151.11176	1.2
155.08522	0.9
157.10193	0.8
159.04427	1.4
159.08151	0.4
159.11720	1.4
160.01530	2.4
161.02327	0.6
161.09610	0.4
161.13225	1.2
162.03087	3.1
163.11124	0.5
163.14891	0.8
169.10071	0.6
171.11740	0.6
173.02332	1.0
173.13251	1.0
175.03911	25.1
176.04337	0.7
183.11662	0.9
185.13200	0.5
187.03897	1.6
187.11221	0.4
187.14877	0.7
188.01031	6.8
189.01796	1.2
190.02623	1.8
197.13252	0.8
199.14722	0.7
201.16354	0.7
202.02641	1.0
203.03392	14.8
215.03378	4.5
215.17848	0.6
216.00549	0.6
216.04083	0.4
217.01364	5.2
218.02112	42.2
219.02437	1.1
223.76361	0.4
227.14322	1.2
230.02110	4.5
231.02895	59.7
232.03436	3.1
233.04460	100.0
233.53000	0.4
234.04810	3.3
239.17963	0.6
241.53174	0.4
243.13922	0.6
245.04448	2.1
249.03984	0.8
257.18857	0.7
271.20502	0.8
273.07623	2.4
275.20059	0.9
281.19052	0.9
299.09119	0.8
299.19934	2.7
317.06668	0.7
317.10223	4.2
317.21136	6.2
317.24704	0.7
317.28415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89069	2.5
55.05513	19.0
57.07066	9.3
59.04992	3.8
60.04522	6.9
61.00271	3.2
65.03944	6.7
67.05191	4.6
67.05511	61.9
69.03423	4.9
69.07067	41.1
71.05005	5.7
79.05522	21.0
81.07063	45.3
83.04978	3.5
83.08635	6.5
85.06547	18.4
85.52077	2.6
88.07608	4.3
91.05477	28.9
93.07042	32.9
95.04943	6.3
95.08614	66.7
97.02892	2.9
97.06520	11.9
97.10123	3.6
105.07041	36.0
106.08634	3.1
107.04994	3.3
107.08597	32.7
109.06518	9.2
109.10159	60.2
111.04452	19.4
117.07039	13.5
119.08590	61.8
121.06495	7.4
121.10160	20.5
123.08094	18.2
123.10989	2.4
123.11719	21.6
129.06955	3.8
131.08545	20.4
132.09465	2.6
133.06496	3.6
133.10152	30.4
135.08040	9.9
135.11696	8.7
137.09622	35.3
137.13260	22.4
139.07553	4.5
143.08542	12.0
145.10158	16.7
147.04425	4.0
147.08012	10.0
147.11659	20.3
149.06032	4.1
149.09601	6.8
149.13252	3.0
151.07497	4.7
151.11172	15.8
153.09033	5.0
155.08498	6.9
157.10132	15.0
159.08046	4.7
159.11728	22.9
161.09708	3.2
161.13231	14.1
162.03140	4.4
163.07552	3.9
165.09116	6.9
167.10640	4.4
169.10132	7.6
171.11705	9.6
173.09651	7.3
173.13287	14.2
175.03941	26.9
175.11147	5.2
175.14893	3.6
176.87646	3.4
179.10596	3.3
183.11719	8.2
185.07912	2.8
185.09540	4.2
185.13283	8.9
187.11130	4.2
187.14783	4.4
188.01033	10.0
189.12804	5.5
197.13246	13.1
199.14857	4.8
201.12773	4.0
201.16434	4.0
203.03404	13.4
203.10693	4.4
205.12274	5.1
205.15906	5.0
211.11345	3.9
211.14859	4.0
213.12769	4.8
213.16397	4.4
215.03337	10.1
215.14359	8.5
215.17935	8.1
217.01256	4.1
217.12222	8.4
218.02103	46.7
219.13799	8.0
229.12212	6.3
229.19505	7.6
230.02170	5.6
231.02888	72.1
231.13812	7.8
232.03079	3.6
233.04457	100.0
239.14191	4.4
239.17976	7.1
243.13835	18.2
245.04585	4.4
253.19406	5.3
257.18994	10.4
261.14795	14.7
271.20572	8.0
273.07556	4.6
275.19861	13.3
279.15717	3.3
281.18976	10.3
289.21432	3.2
299.20050	40.3
317.06577	2.9
317.10178	5.1
317.17258	5.4
317.21179	87.6
317.24677	4.5
317.28772	6.1
317.32129	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	317.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.1
57.07064	1.9
57.37871	0.6
62.24059	0.6
65.03936	5.9
67.05507	21.9
69.07057	1.3
69.81548	1.0
69.81957	2.0
79.05492	1.3
81.03391	0.6
81.07047	2.0
81.52587	0.5
81.94344	0.6
83.08618	0.6
85.06544	14.9
89.03892	1.3
91.05490	4.3
91.35612	0.5
93.07036	1.8
95.08596	2.8
97.06528	0.9
105.07022	2.6
107.08606	3.3
109.02941	0.8
109.10181	3.0
111.04469	0.8
111.08064	0.7
117.06998	0.7
119.04922	1.4
119.08568	3.1
121.10141	1.9
123.08085	0.6
123.11722	0.6
131.08553	0.7
133.02838	0.6
133.10124	2.1
134.03662	1.4
135.08038	1.0
135.11679	0.9
137.09612	1.2
145.02861	2.1
145.10146	1.0
147.04379	2.5
147.11699	1.7
151.11185	0.7
159.04376	1.3
159.11693	1.1
160.01555	2.2
161.02394	0.7
161.13264	0.7
162.03127	2.4
163.14868	1.1
172.01593	0.6
173.02312	1.4
173.13354	1.2
175.03909	24.7
176.04349	0.7
183.11571	0.9
187.03857	1.2
188.01036	6.6
189.01915	1.0
190.02625	2.0
192.93619	0.7
199.14938	0.8
202.02567	0.9
203.03407	17.2
204.03732	0.8
215.03368	3.5
217.01306	4.2
218.02106	43.8
219.02441	0.8
230.02078	4.5
231.02884	62.0
232.03455	2.5
233.04451	100.0
234.04784	2.4
245.04437	2.1
252.15265	0.6
257.18958	1.2
273.07602	1.7
275.20062	0.9
281.18954	0.9
299.09235	0.8
299.20023	2.0
309.12177	0.6
317.06564	1.5
317.10239	4.4
317.21036	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	317.0655
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
62.90163	0.3
65.03934	0.7
67.05489	0.7
68.99782	0.6
69.03436	0.4
69.07061	0.8
70.93262	0.9
79.05505	0.4
81.07056	1.0
83.08647	0.4
85.06557	0.4
91.05466	0.8
92.02626	2.5
93.03414	2.6
93.07027	1.1
95.01301	0.3
95.08598	0.9
99.04449	0.6
105.07020	0.9
107.08640	1.6
107.09239	0.3
107.22169	0.3
109.02897	0.5
109.06462	0.4
109.10164	0.7
111.00846	0.5
119.08628	0.7
121.02864	1.8
121.10177	0.5
123.11743	0.4
126.03139	1.1
131.99303	0.3
133.10126	0.5
135.04379	0.4
135.11673	1.2
137.02391	0.4
139.03911	1.5
145.06549	0.5
145.15491	0.3
149.13269	0.5
151.03911	1.4
153.01828	14.6
161.09637	0.4
165.01859	1.0
177.05489	0.7
177.08980	0.4
178.45088	0.3
179.03418	0.5
183.02895	0.4
183.04440	0.6
187.03856	0.5
189.05588	0.4
190.06180	0.7
200.04666	0.8
201.05482	1.9
203.03424	1.7
203.09500	0.4
215.03159	0.3
217.04922	2.9
218.02121	0.4
218.05737	1.5
219.02844	0.5
228.04158	3.5
229.04951	6.7
229.07043	0.6
231.02898	1.4
233.04480	1.1
245.04449	3.7
245.10695	0.4
246.05247	2.9
256.03629	0.5
257.04440	3.5
260.03268	0.8
268.03754	0.4
271.05954	0.5
272.60178	0.3
273.03970	3.0
274.04715	6.5
275.15448	0.5
284.03275	1.0
284.06473	0.3
285.03943	7.7
286.04575	0.4
301.03348	0.6
302.04208	19.6
303.04562	0.6
317.06552	100.0
317.21133	0.9
317.24783	0.9
318.06979	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	317.1016
Annotation	Byakangelicol
Peak:m/z	Relative Intensity
57.23077	1.3
65.03928	3.6
67.05505	18.7
69.78286	1.7
69.78698	3.9
85.06549	14.2
91.05479	2.0
116.08945	1.1
119.20567	1.3
134.03606	1.3
145.02829	1.6
147.04498	2.6
159.04340	1.3
160.01520	2.2
162.03094	3.0
174.03062	1.1
175.03914	23.3
187.03984	1.6
188.01031	5.6
189.01981	1.7
190.02600	1.3
203.03404	13.0
215.03395	5.2
217.01407	6.0
218.02107	34.0
230.02129	5.0
231.02887	61.3
232.03539	3.1
233.04465	100.0
234.04729	2.8
245.04398	2.1
249.03827	2.2
273.07468	2.1
317.10239	4.2
325.10687	1.2
332.14691	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1019
Annotation	Neobyakangelicol
Peak:m/z	Relative Intensity
51.10217	0.7
53.55170	0.6
55.01847	0.7
55.05497	2.1
56.05035	0.9
57.07061	2.8
60.04529	12.5
61.04848	1.9
63.61502	0.7
65.03949	4.9
67.05505	23.7
69.07057	1.9
69.26852	4.6
69.27273	2.2
79.05477	2.0
81.07066	4.1
83.08623	1.4
85.06541	12.1
89.03899	1.2
91.05479	7.4
93.07040	3.9
95.04912	0.9
95.08592	3.9
105.07041	6.5
107.08562	2.0
109.10149	2.2
119.04916	1.6
119.08595	4.7
121.10120	1.1
123.11717	1.1
131.08542	1.4
133.10136	2.8
134.03659	1.6
137.09618	0.8
143.01308	0.8
145.02820	1.8
145.10155	1.3
147.04424	2.2
147.11682	2.3
159.04395	1.4
159.11761	1.2
160.01555	3.2
161.13254	1.5
162.03110	3.1
173.02303	1.2
175.03906	25.9
175.14780	0.9
176.04207	0.7
182.45613	0.7
187.03915	2.0
188.01082	7.8
189.01776	1.6
190.02579	1.2
202.02551	1.0
203.03395	16.9
204.03777	1.1
215.03365	5.7
217.01288	6.2
218.02104	43.8
230.02092	4.7
231.02882	65.2
232.03516	3.6
233.04448	100.0
234.04710	3.1
245.04459	2.4
249.03960	1.3
273.07541	2.8
281.26797	1.5
299.09100	1.0
299.27704	1.8
316.28290	0.8
317.06549	3.5
317.10208	5.1
317.21103	2.4
317.24710	7.5
317.28796	6.4
317.32230	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58810	0.2
65.03941	0.8
65.96603	0.2
67.05486	0.3
68.99784	0.9
69.03416	0.3
71.27203	0.2
71.27522	0.2
73.52335	0.2
79.05488	0.2
80.57520	0.2
81.03414	0.3
81.07051	0.3
84.09878	0.2
91.05444	0.2
92.02622	3.2
93.03406	3.1
104.24889	0.2
105.03368	0.3
109.02869	0.5
111.00763	0.4
117.06990	0.2
120.02116	0.2
121.02864	2.8
122.03665	0.3
123.04424	0.3
126.03123	1.2
133.02809	0.2
135.04378	0.2
137.02319	0.6
137.05963	0.2
139.03902	1.7
145.06496	0.2
147.04411	0.2
149.02330	0.3
151.03915	1.4
153.01825	18.3
155.04893	0.7
157.10223	0.2
159.63974	0.2
161.05939	0.3
163.03876	0.5
165.01833	1.1
166.02597	0.5
167.03468	0.2
168.94814	0.2
170.01909	0.2
171.86241	0.2
173.06007	0.5
173.58423	0.2
175.31200	0.2
177.01952	0.3
177.05473	0.7
179.03415	2.5
183.02921	0.3
183.04445	0.3
187.03908	0.3
189.05421	0.2
190.06314	0.2
197.04430	1.0
200.04669	0.9
201.05415	1.7
203.03346	1.5
204.04167	0.3
217.04971	2.8
218.05695	1.3
219.02870	0.9
228.04164	4.2
229.04958	7.6
230.05283	0.3
231.02954	1.1
239.03378	0.4
243.06506	0.3
245.04456	3.7
246.05235	3.2
247.02435	0.2
256.03641	0.3
257.04431	4.7
257.14420	0.2
259.02322	0.2
260.03171	1.0
261.07565	0.5
262.37756	0.2
271.06076	0.5
273.03967	3.3
274.04724	7.3
284.03146	0.8
285.03922	8.1
286.04456	0.3
287.02048	0.3
288.06195	0.4
299.08939	0.3
301.03467	0.6
302.04208	23.1
303.04529	0.6
317.06552	100.0
318.06888	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	317.0652
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
50.65372	0.1
53.03911	0.1
55.01862	0.2
55.05486	0.3
65.03937	0.9
67.05516	0.7
68.99760	0.4
69.03402	0.3
69.07027	0.4
69.72055	0.1
79.05434	0.5
81.03373	0.5
81.07056	1.4
83.08585	0.2
91.05446	0.3
92.02618	2.7
93.03407	2.8
93.06989	0.5
94.04157	0.2
95.01284	0.2
95.04913	0.3
95.08594	0.9
97.06500	0.2
98.21511	0.4
100.11259	0.1
102.93970	0.1
103.05443	0.2
105.03353	0.2
105.06973	0.5
107.04903	0.5
107.08559	0.5
109.02831	0.7
109.06488	0.4
109.10172	1.2
110.03191	0.1
111.00758	0.4
111.04408	0.2
115.98532	0.1
117.06950	0.2
118.97114	0.1
119.08524	0.5
121.02864	2.3
121.06403	0.2
121.10124	0.7
122.03604	0.4
123.04397	0.3
123.11701	1.8
124.01528	0.2
126.03135	0.9
127.03909	0.2
129.79303	0.1
131.04916	0.3
133.02832	0.3
133.10110	0.3
135.04378	0.4
135.11632	0.3
136.04700	0.1
137.02295	0.7
137.06001	0.3
137.09570	0.2
139.03908	1.3
145.06419	0.3
145.10120	0.2
147.04358	0.2
149.01172	0.2
149.02336	5.0
149.05896	0.2
150.03145	0.2
151.03899	2.6
153.01825	16.8
155.04865	0.4
157.06464	0.2
159.04375	0.3
161.02321	0.1
161.05942	0.2
161.13249	0.1
163.03870	0.7
163.27856	0.2
165.01839	1.1
165.05470	0.3
166.02559	0.5
167.03397	7.3
172.05161	0.3
173.05927	0.5
173.09529	0.2
173.13324	0.2
175.03844	0.3
175.07440	0.2
177.01749	0.2
177.05463	0.9
179.03351	0.5
179.05257	0.1
183.02876	0.4
183.04417	0.3
187.03867	0.5
189.05435	0.4
190.06253	0.3
191.07028	0.2
192.04037	0.3
195.02885	4.0
200.04677	0.7
201.05463	1.7
203.03395	1.5
204.04199	0.3
214.09406	0.1
215.06984	0.5
217.04959	3.3
218.05789	1.4
219.02859	0.6
228.04156	3.6
229.04956	6.5
230.05455	0.3
231.02847	1.3
232.03690	0.4
233.04482	0.3
235.01961	0.2
243.06628	0.3
245.04433	3.5
246.05243	3.2
255.13681	0.1
256.03613	0.4
257.04446	4.1
257.14407	0.7
260.03128	0.9
261.07492	0.5
261.11160	0.2
271.05954	0.6
271.10815	0.2
271.13269	1.0
272.13483	0.4
273.03918	3.1
274.04700	7.1
275.04849	0.2
284.03217	0.9
285.03906	7.1
286.04584	0.4
287.01849	0.3
288.06204	0.3
299.05280	0.2
299.20151	0.3
301.03409	0.5
302.04199	22.8
303.04462	0.5
317.06546	100.0
318.06870	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	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.03932	0.1
65.03941	0.7
67.01873	0.1
67.05489	0.2
68.99782	0.6
69.03416	0.2
69.07063	0.1
70.06600	0.1
72.08134	0.1
79.88364	0.1
81.03413	0.9
82.03735	0.3
83.04967	0.2
85.02914	0.1
92.02621	3.2
93.03405	2.8
94.04175	0.1
95.01337	0.2
95.04964	0.2
95.08576	0.1
105.03372	0.2
105.07005	0.1
106.03720	0.1
108.77995	0.1
109.02882	2.6
109.10128	0.1
110.03196	1.0
111.00793	0.4
111.04460	0.1
117.06967	0.1
120.02067	0.1
121.02862	2.2
122.03647	0.4
125.47818	0.1
126.03124	1.2
131.04916	0.3
133.02837	0.1
135.08138	0.1
137.02374	0.5
139.03902	1.5
145.06483	0.2
147.04445	0.2
149.02322	0.2
150.03091	0.2
151.03879	1.2
151.04996	0.2
152.01060	0.2
153.01822	18.1
154.02141	0.2
155.04877	0.4
161.06026	0.2
163.03926	0.3
165.01825	1.0
166.02580	0.4
170.02161	0.2
172.05290	0.2
173.05928	0.6
175.03897	0.1
175.80467	0.1
176.04666	0.1
177.01851	0.2
177.05522	0.5
179.03391	1.8
183.02869	0.4
183.04401	0.3
187.03943	0.3
189.05458	0.3
190.02637	0.1
190.06287	0.4
192.04108	0.2
194.02118	0.1
197.04471	1.1
200.04716	0.8
201.05446	1.9
201.64142	0.1
203.01543	0.1
203.03395	1.8
204.04117	0.2
213.05405	0.2
213.09120	0.2
217.04977	2.9
218.02271	0.2
218.05724	1.1
219.02904	0.7
228.04166	3.7
229.04962	7.3
230.05505	0.2
231.02873	1.3
232.03720	0.2
233.04398	0.1
239.03470	0.1
243.02623	0.1
243.06444	0.2
245.04451	4.3
246.05238	3.1
247.05476	0.1
256.03732	0.6
257.04440	4.9
258.05051	0.3
259.02353	0.2
260.03149	0.7
261.07626	0.4
271.05991	0.4
273.03922	4.0
274.04700	7.9
284.03149	0.9
285.03922	8.3
286.04431	0.5
287.01895	0.2
288.06168	0.3
299.09094	0.1
301.03473	0.5
302.04199	22.6
303.04422	0.6
317.06540	100.0
318.06927	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	316.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.0
56.05832	4.1
56.31330	1.9
57.07072	12.0
58.07418	4.9
59.05009	25.6
60.04518	4.4
60.05325	2.3
65.03947	2.7
67.05493	5.5
69.07066	6.8
70.07367	2.1
79.05481	2.4
80.68793	1.8
82.50275	1.9
85.06551	12.8
86.06871	2.2
91.05492	9.7
92.05804	2.4
94.88755	1.9
95.08577	2.8
95.95566	2.1
98.16103	2.0
103.05454	3.5
105.07011	2.6
119.04956	9.1
119.08604	2.2
120.05248	3.3
121.02917	2.2
128.06261	2.3
131.04953	5.1
132.05301	5.0
147.04408	19.1
148.04735	20.3
159.04395	3.6
160.04752	5.9
161.05983	3.0
174.06271	2.3
175.03905	100.0
176.04247	97.1
177.05588	16.2
178.05827	25.6
187.03920	21.2
188.01079	2.8
188.04277	22.1
189.05551	13.3
190.05876	15.7
201.05470	3.7
202.05806	8.1
203.03506	7.1
204.03764	4.6
214.09421	2.4
216.07372	6.6
217.04770	2.2
218.02071	5.8
224.08087	2.5
229.08669	3.6
230.08958	7.0
231.02872	10.4
231.10152	13.6
232.10501	43.9
233.04457	20.1
241.08713	3.2
242.08978	10.0
244.10458	8.7
248.09995	4.4
259.09656	3.3
260.09988	23.0
316.08566	2.7
316.16318	57.3
316.19873	5.0
316.28436	2.7
317.06689	5.4
317.16656	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19399	0.5
55.05506	4.3
56.05019	2.9
57.03438	1.2
57.07090	1.1
60.04524	100.0
61.04873	0.9
67.05505	7.7
69.07067	5.1
70.73566	1.4
71.08624	1.3
72.04516	2.5
74.06093	2.4
79.05481	3.4
80.05012	0.9
81.05747	0.6
81.07054	8.0
82.06585	1.5
83.08596	3.7
86.06084	1.0
90.05571	1.3
91.05479	2.0
93.07058	3.2
94.06579	1.2
95.08596	6.0
96.08140	1.1
97.06514	0.8
97.10178	1.6
105.07038	1.5
107.08589	1.3
109.10167	3.3
119.08597	1.2
121.10146	2.1
123.11695	1.3
133.10121	1.3
135.11717	0.6
137.13200	0.9
205.06897	0.6
213.29161	0.6
233.22598	0.8
237.22438	0.6
250.25421	1.0
251.23494	0.7
262.25262	1.8
268.26389	1.1
280.26315	12.2
281.26788	0.7
298.27408	12.2
299.27612	1.3
316.28448	38.0
317.28839	3.2
317.32123	0.6
339.78162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03961	0.6
55.05514	4.1
56.05037	4.5
57.07083	1.2
60.04525	100.0
67.05497	8.3
67.54231	0.5
68.05022	0.8
69.07071	6.2
70.75395	0.7
70.75726	1.1
71.08641	0.7
72.04518	0.8
74.06078	2.4
75.03042	0.6
76.91808	0.5
79.05501	3.6
80.05015	0.6
81.07053	8.6
82.06600	1.3
83.08631	3.2
84.08119	0.5
88.07694	0.5
90.05567	0.9
91.05496	2.2
93.07042	2.9
94.06557	1.2
95.04948	0.7
95.08605	7.5
96.08128	0.9
97.10178	2.0
98.06094	0.6
105.07005	1.5
107.08593	1.2
109.10162	2.3
112.07613	0.7
119.08587	0.9
121.10128	1.3
123.11679	0.8
135.11615	0.6
137.13242	0.8
250.25369	1.2
262.25308	1.2
268.26456	1.1
272.57098	0.6
280.26331	12.3
298.27414	13.6
299.27588	0.8
316.28452	34.6
317.28766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
51.02413	0.2
53.03949	0.4
55.01870	0.3
55.05510	0.4
60.04526	0.2
65.03945	0.7
67.05505	0.4
68.99780	0.8
69.03435	0.6
69.07069	0.4
70.06596	0.9
71.04983	0.4
72.08171	0.8
79.05504	0.2
81.03420	1.2
81.07070	0.5
83.04991	0.2
84.04494	0.5
84.08133	1.0
84.21872	0.1
85.02913	0.3
85.06546	0.5
86.09702	0.6
91.05486	0.3
92.02624	3.0
93.03408	2.3
93.07072	0.4
95.01371	0.2
95.04974	0.4
95.08605	0.4
97.02897	0.3
97.06551	0.2
98.97644	0.2
99.04465	0.5
103.05497	0.2
105.03384	0.4
105.07030	0.3
107.04981	0.2
107.08586	0.4
109.02871	1.5
109.06504	0.4
109.10167	0.5
111.00826	0.3
111.04449	0.2
111.08113	0.1
113.06008	0.7
117.07011	0.3
119.08588	0.3
120.08124	0.6
121.02867	2.6
121.06470	0.2
122.03662	0.3
123.04449	0.4
124.01600	0.2
126.03119	1.0
127.03928	1.1
129.07031	0.2
129.10225	0.8
131.04955	0.2
131.08574	0.3
133.02847	0.2
133.10129	0.2
135.04449	0.3
136.07632	0.2
136.13567	0.1
137.02335	1.1
137.05988	0.2
137.09633	0.2
138.09177	0.3
139.03903	1.5
145.06540	0.2
145.10048	0.2
147.11639	0.2
149.02303	0.2
149.05942	0.2
149.09625	0.2
150.03123	0.2
150.05504	0.2
151.03900	2.6
151.04977	0.2
153.01828	13.8
154.02251	0.2
155.04945	0.3
155.06992	0.2
159.04565	0.2
159.11737	0.2
161.05954	0.2
163.03937	0.6
165.01793	0.8
166.02599	0.3
170.02037	0.2
171.04489	0.2
173.05989	0.3
175.03857	0.2
177.05460	0.6
179.03419	0.4
183.02919	0.3
183.04419	0.3
187.03957	0.3
187.06093	0.2
189.05479	0.2
190.02663	0.2
190.06276	0.2
191.03473	0.2
193.01234	0.2
200.04701	0.7
201.05461	1.6
203.03394	1.5
205.05038	0.2
206.05655	0.2
211.03915	0.2
215.03123	0.2
217.04941	2.5
218.05663	1.0
219.02948	0.4
228.04170	3.2
229.04976	6.0
231.02887	1.0
232.03673	0.2
233.04286	0.2
239.03441	0.2
243.06291	0.2
243.11348	0.3
245.04443	3.7
246.05225	2.9
256.03662	0.5
257.04459	3.8
259.02295	0.3
260.03149	0.7
261.07684	0.4
267.03049	0.2
271.05923	0.3
271.10541	0.5
273.03946	3.2
274.04721	6.4
275.05173	0.2
275.11322	0.4
284.03262	0.7
285.03940	7.2
286.04425	0.3
287.10193	0.5
288.06213	0.3
299.05533	0.2
299.10236	0.5
299.13446	0.2
299.20120	0.3
301.03455	0.2
302.04214	19.4
303.04529	0.7
317.06552	100.0
318.06888	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	316.1543
Annotation	3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one
Peak:m/z	Relative Intensity
53.03938	0.7
55.01871	0.7
55.05512	1.1
58.77083	0.6
60.04511	0.8
62.78102	0.6
65.03939	3.2
67.05507	6.2
69.07058	2.7
70.72843	2.2
72.00879	7.1
72.08187	0.7
79.05476	2.3
81.07054	13.8
91.05474	2.0
93.03394	2.0
93.07034	2.3
95.04978	1.0
95.08584	2.5
105.06967	0.8
107.08623	1.3
109.02895	1.1
109.10152	11.3
119.04921	0.8
120.08063	0.9
121.02849	2.3
121.10118	1.7
123.04427	30.3
123.11712	12.2
131.01254	3.3
135.04376	1.1
135.11702	3.3
139.03827	0.8
145.64859	0.6
147.04382	1.1
149.02344	45.7
150.03076	0.9
163.03938	1.9
164.04700	5.3
167.03403	61.7
168.03801	1.3
173.05971	0.7
173.76964	0.8
175.03876	1.7
176.03401	1.3
177.04195	7.6
177.05539	1.1
177.09154	0.6
187.03908	1.0
187.07454	0.8
189.05469	1.7
189.09108	0.8
190.04909	1.4
191.03397	1.0
191.07014	1.1
194.04491	100.0
195.04816	2.6
200.07336	1.4
201.09045	0.9
202.09506	1.3
203.06921	0.8
208.06097	2.9
211.07407	0.9
214.09428	1.9
215.07057	5.0
218.04497	1.5
220.06093	0.8
228.06845	1.4
228.14761	0.8
232.05917	0.6
234.07632	3.0
236.09113	1.9
238.13036	0.9
241.12032	0.8
242.08141	1.6
244.10519	2.4
246.07465	0.7
248.09151	1.2
255.13748	0.9
256.14160	7.7
260.09149	7.9
270.15326	0.7
271.13297	2.7
273.14978	0.8
274.15213	4.1
298.14941	1.2
301.06717	2.9
316.08884	4.7
316.11841	0.7
316.15610	13.7
317.09531	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83576	3.4
55.05503	11.5
56.05840	4.3
57.07064	13.4
57.07333	3.7
57.10021	3.9
58.07393	5.2
59.04995	16.1
60.04515	5.3
65.03920	4.1
67.05518	20.4
69.07054	7.9
71.52887	3.2
79.05484	7.2
81.07036	7.1
85.06556	19.9
86.06886	5.8
90.99124	3.0
91.05489	13.6
92.05810	6.8
95.04951	3.9
95.08596	5.7
98.91302	3.2
105.07054	4.2
107.08559	3.7
109.10163	4.6
115.05420	4.4
119.04933	7.3
119.08585	3.9
129.07016	3.7
131.04933	7.3
131.08575	4.8
132.05269	7.0
147.04395	24.8
148.04762	16.1
159.04404	9.5
160.04730	9.5
170.10469	4.3
172.20619	4.0
175.03925	98.0
176.04259	95.5
177.05490	17.8
178.05832	21.3
187.03961	31.7
188.04233	44.3
189.05489	8.8
190.05856	18.5
196.08232	5.2
201.05547	5.2
202.05740	6.3
203.03406	13.5
204.03732	6.2
214.09564	4.8
216.07338	9.9
217.01321	4.6
217.04924	3.4
218.02126	28.9
224.07951	6.3
229.08577	3.8
230.08846	9.8
231.02910	31.3
231.10152	16.9
232.10529	45.5
233.04482	68.2
241.08661	10.8
242.08981	28.0
244.10559	17.0
248.10004	7.4
252.18307	3.6
259.09711	13.8
260.09979	66.0
266.72412	3.9
316.16290	100.0
316.19760	6.7
316.28564	8.0
317.06552	7.3
317.10037	7.8
324.54001	4.1
325.74637	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	316.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.05460	1.1
65.03941	3.7
66.59614	0.5
67.05503	5.1
68.99757	0.6
69.07074	3.4
70.02798	2.6
72.00871	5.5
74.53758	0.5
76.03763	0.6
79.05487	2.5
81.03399	1.3
81.07058	12.1
83.71360	0.6
85.02860	0.6
90.51871	0.6
91.05450	1.6
93.03339	2.1
93.06987	2.2
95.04920	1.4
95.08585	3.0
107.04881	0.6
107.08565	2.8
109.02859	2.8
109.06442	0.5
109.09476	0.7
109.10153	10.4
111.04403	0.7
119.08546	0.8
121.02898	3.1
121.10113	1.5
123.04426	29.3
123.10846	0.7
123.11709	10.8
131.01279	3.1
131.04903	0.7
133.02811	0.9
133.06502	0.5
135.04419	2.4
135.11642	2.0
136.05170	0.7
137.05907	0.5
139.03859	0.9
143.08557	1.0
145.06490	1.3
147.04337	1.4
149.02335	39.7
150.03069	1.3
161.05966	1.2
163.03865	1.4
163.07530	0.8
164.04678	6.0
167.03398	64.7
168.03737	1.2
174.05563	0.6
175.03883	1.8
176.03317	0.9
177.04185	7.6
177.05553	0.9
178.04930	2.1
187.07561	0.7
189.05423	2.6
190.04942	0.6
194.04483	100.0
195.04834	2.1
196.03221	0.7
200.06854	0.8
201.05492	1.2
202.04926	1.1
207.06589	0.7
208.06090	2.1
213.09044	0.9
215.06998	5.0
216.06589	0.9
218.04442	0.8
224.08014	0.6
227.14392	1.0
230.04596	0.7
232.05980	0.6
234.07640	3.2
236.09218	2.0
242.08235	1.7
245.04333	0.5
248.09363	1.4
252.08855	1.3
253.12288	0.7
256.10526	0.6
256.14209	1.7
258.04004	2.1
260.09161	7.6
266.15140	0.6
271.13260	6.0
273.03732	0.7
273.06396	1.3
280.13382	0.6
284.10028	2.3
286.03598	0.8
288.08899	0.7
298.14487	1.3
300.05084	2.9
301.05777	4.4
302.04279	1.2
302.19000	0.6
316.05267	1.2
316.08289	17.7
316.12393	0.6
316.15582	12.6
316.23157	0.7
317.06674	2.7
317.10068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01870	1.8
55.05495	2.8
55.40724	0.8
57.03429	1.9
59.04981	1.6
65.03940	1.0
67.05509	5.7
69.03435	1.7
69.07063	8.1
69.46426	7.1
70.06589	4.2
71.04996	1.3
72.00882	7.6
72.08157	12.1
77.03934	1.6
79.05505	5.6
81.03418	9.7
81.07066	4.7
82.06578	1.5
83.04983	1.3
83.08612	1.1
84.04475	1.0
84.08145	2.5
85.02896	3.9
86.06078	5.1
86.09687	7.1
91.05490	4.1
92.02620	2.9
93.03410	2.0
93.07027	3.2
95.04960	3.5
95.08598	3.5
97.06487	1.1
105.03371	3.3
105.07022	3.3
106.04163	1.4
106.06577	1.8
107.04963	7.4
107.08572	3.6
107.88154	0.9
109.02131	1.6
109.02879	26.5
109.10161	6.7
110.03190	1.4
113.06147	0.8
115.05504	1.0
119.04957	0.8
119.08584	1.6
121.02870	2.7
121.06470	1.7
121.10143	3.7
123.08109	1.1
123.11682	1.3
125.05945	1.2
125.09662	0.9
127.03894	1.1
128.06158	1.0
129.06976	1.1
131.04939	1.9
131.08588	1.5
131.85754	0.8
133.02847	12.5
133.06467	1.8
133.10141	2.0
134.03618	4.0
134.06004	1.4
135.04420	24.3
135.05437	1.0
137.09637	2.3
141.06987	1.5
143.11789	6.7
144.05702	1.7
145.06499	3.1
145.10094	1.2
146.11795	6.4
147.04381	4.1
149.09450	0.9
151.03873	5.0
153.01831	12.8
154.04967	5.6
157.06519	1.1
158.07285	0.9
159.04376	1.3
159.08015	2.2
161.02350	2.2
161.04732	0.9
161.05968	2.6
167.03397	3.5
169.06487	1.3
171.08038	1.7
171.11275	3.4
172.05193	1.1
173.05995	1.1
175.03876	1.6
176.04645	1.6
177.05327	1.1
178.04988	40.9
181.06496	1.1
183.08032	3.3
185.09621	2.0
187.07555	3.4
188.07024	1.2
189.05475	1.3
189.09041	1.0
190.05000	1.1
192.06540	1.2
195.02893	11.8
195.08051	1.6
196.03214	10.3
199.07645	1.6
201.05489	1.2
201.09099	5.6
202.03362	1.2
202.04982	2.9
204.06639	0.9
211.07648	1.1
211.11229	1.3
213.04028	2.1
213.09053	2.5
214.04990	1.2
214.09337	1.0
215.07059	3.6
216.06497	8.4
217.05035	2.3
217.07367	0.9
218.05832	1.5
225.12668	1.4
227.05646	1.0
228.04294	1.8
228.06587	2.5
229.04900	3.5
229.07016	1.1
230.04477	3.5
230.08112	2.3
231.02881	1.2
234.07657	1.3
235.10954	1.2
237.22549	0.9
241.03653	2.5
242.04443	1.5
242.08148	2.2
244.06032	1.5
245.04630	1.8
245.06804	3.0
246.05174	2.8
253.12279	6.5
254.17494	5.9
255.05136	1.9
255.13753	4.4
256.06079	2.3
256.09845	1.6
256.14166	5.2
257.04440	3.7
258.03922	7.0
258.11368	1.2
259.04581	1.2
260.09238	3.6
270.07681	1.2
271.13284	20.8
272.05521	3.3
273.03845	2.1
273.06375	9.5
274.04648	5.8
280.13266	1.6
284.05548	1.5
284.10016	1.9
285.04044	5.5
286.03485	3.3
288.08636	2.3
298.06851	1.2
298.14484	6.0
298.20187	1.8
300.05081	11.3
301.05942	15.4
302.04169	33.5
316.08136	84.1
316.15945	7.5
316.20313	1.7
317.06479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.118
Annotation	Normelicopicine
Peak:m/z	Relative Intensity
55.01897	0.3
60.04524	0.3
65.21137	0.3
67.05493	0.8
68.83695	0.3
69.07060	0.3
70.06576	0.4
71.63828	0.3
72.00888	0.6
72.08139	0.3
79.05505	0.4
81.03416	0.4
81.07057	0.9
84.08140	0.5
91.05469	0.5
93.53393	0.3
95.08594	0.5
98.20713	0.7
98.97608	0.3
99.04494	0.3
105.03392	0.5
105.07026	0.4
107.04983	0.6
107.08556	0.3
109.02876	0.8
109.10162	0.4
123.04438	0.5
131.04964	0.3
131.08617	0.4
135.04410	0.9
147.04372	0.3
149.02313	0.4
167.03378	0.8
171.06853	0.3
175.03905	0.4
178.04980	0.9
184.07687	0.4
194.04465	1.1
195.02826	0.5
196.03255	0.5
196.08310	0.3
198.05539	0.4
199.06288	0.9
200.07031	0.8
201.09012	0.4
202.04987	0.6
204.06541	0.5
212.07016	1.6
213.04167	0.6
213.07607	0.4
214.04982	0.6
214.09303	0.4
215.05595	0.3
216.06439	0.5
223.17749	0.3
225.04195	0.4
226.04971	4.3
226.08543	0.4
227.05743	2.1
228.06627	1.8
230.04459	1.5
231.02919	0.7
232.06004	0.4
233.04443	1.0
238.08624	0.4
240.06552	7.0
241.03708	0.5
241.07349	1.3
242.04326	0.4
242.08084	6.4
243.05319	0.5
244.06035	5.2
245.06731	1.2
252.06590	0.9
253.07326	1.6
254.04510	0.5
254.08113	2.3
255.05280	3.0
255.08885	0.4
256.06046	37.3
256.13913	1.4
257.06549	2.1
258.04031	2.9
258.07639	3.7
259.04724	0.5
260.09302	0.7
266.07950	0.4
268.06042	16.2
269.03336	0.4
269.06635	0.8
270.07614	27.5
271.08377	26.7
271.13156	0.7
272.05551	1.6
272.08936	1.5
273.06232	3.8
273.11218	0.4
274.15204	0.4
282.07608	5.2
283.04932	0.9
283.08377	12.7
284.05649	0.8
284.09283	5.2
286.03528	1.9
286.07083	4.5
288.08658	1.1
298.07135	0.8
298.10699	7.8
298.14148	0.6
300.05112	4.0
300.08496	0.6
301.05804	7.1
301.09451	1.9
316.08148	34.9
316.11819	100.0
317.06503	1.5
317.08789	1.0
317.11954	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	316.0815
Annotation	CHEBI:90701
Peak:m/z	Relative Intensity
50.61060	0.2
67.05489	0.4
70.06596	0.5
70.77954	0.6
70.78299	0.4
72.00858	0.3
81.07054	0.4
83.24313	0.3
85.02906	0.3
91.05440	0.4
93.07048	0.5
95.08582	0.3
100.07559	0.3
105.07018	0.8
109.02892	0.4
109.10143	0.6
123.04438	0.6
133.10133	0.4
135.04361	0.3
137.05959	0.6
140.61241	0.2
145.10159	0.4
149.02350	1.0
167.03365	1.4
168.04501	0.2
168.10278	0.6
170.05940	0.5
171.06799	0.4
175.14726	0.3
178.04909	0.4
184.07608	0.3
185.04745	1.4
186.05449	0.3
188.07094	0.7
189.04102	0.3
194.04469	2.3
196.03241	0.4
198.05524	0.6
199.06253	1.8
200.07130	0.7
202.05026	0.9
204.06557	1.0
212.03447	0.3
212.07025	0.9
213.04152	2.4
214.04950	2.0
215.05740	0.9
216.03023	0.3
216.06577	1.7
217.07307	0.9
221.03180	0.3
222.65157	0.3
224.03381	0.3
225.04268	0.4
226.04909	1.5
227.05759	2.5
228.02954	1.1
228.06476	1.8
229.03641	0.6
229.07219	0.6
230.04489	4.8
231.05223	0.8
232.06073	0.9
233.04572	0.4
235.90123	0.3
236.05586	0.7
240.06546	1.1
241.03656	2.0
242.04564	1.3
242.08174	1.3
243.05254	0.8
244.06030	2.6
245.06834	3.8
253.03645	0.4
254.04469	0.7
255.05284	4.4
256.02423	0.5
256.03366	0.4
256.06061	3.7
256.14221	0.8
257.06812	1.5
258.03989	10.2
258.07755	0.6
259.04736	0.7
260.09094	0.7
268.06168	1.0
269.03241	0.6
269.06976	0.3
270.04135	0.8
270.07639	2.5
271.04739	0.5
271.08374	1.1
272.05545	4.4
273.06302	10.1
274.06906	0.5
282.04230	0.3
282.07544	0.4
283.04752	1.9
283.08334	0.8
284.05597	1.1
284.09891	0.9
285.02658	0.9
286.03497	5.8
286.06815	0.7
288.08710	2.9
298.07095	1.8
298.10526	0.6
298.14325	0.5
300.05029	13.3
301.05807	22.6
302.06335	1.0
316.08173	100.0
316.11612	5.7
316.22589	3.5
317.08740	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2316
Annotation	14-methyl-all-trans-retinoic acid
Peak:m/z	Relative Intensity
53.03933	2.9
55.01860	4.5
55.05508	11.3
57.03408	4.0
57.07063	6.4
59.04984	4.6
65.03926	2.9
67.05502	57.2
69.07063	14.1
71.04982	5.0
71.53072	2.3
79.05067	2.2
79.05487	25.6
79.93033	1.5
81.07055	65.0
83.01350	1.8
83.04958	2.3
83.08612	5.6
84.05284	1.4
85.02907	2.5
85.06550	8.0
85.06964	1.5
91.05482	27.2
93.07034	36.3
95.04971	12.0
95.08605	51.7
96.08895	1.7
97.06525	3.7
97.10191	2.8
105.07023	26.5
107.08596	24.9
109.06497	4.7
109.10149	26.2
111.04417	3.6
115.05456	3.3
117.07025	12.6
119.04883	2.8
119.08592	24.5
121.06497	3.6
121.10124	19.7
123.04442	6.6
123.08044	4.1
123.11697	14.1
128.06148	3.3
129.07014	9.3
131.04922	2.7
131.07710	2.2
131.08571	21.1
133.06519	2.7
133.10117	22.4
135.04431	2.2
135.08025	4.7
135.11681	18.1
137.05960	2.6
137.09608	3.8
137.13245	4.1
141.06964	3.9
142.07700	2.1
143.08553	12.1
145.06454	3.7
145.10124	20.5
147.04430	8.4
147.08041	2.8
147.11662	14.7
149.05989	1.7
149.09601	4.5
149.13266	11.3
151.07507	4.1
151.11168	2.0
155.08521	6.2
157.10132	11.4
159.04402	18.5
159.08054	2.3
159.11664	17.6
160.05180	4.8
160.12042	1.7
161.05994	2.2
161.09598	7.4
161.13335	10.7
163.07506	3.9
163.11218	4.0
163.14796	5.2
165.09131	3.9
167.08508	3.1
169.10088	6.6
171.07986	2.3
171.11679	9.7
173.05951	5.8
173.09613	3.4
173.13301	8.6
175.03911	40.0
175.11195	4.0
175.14813	5.0
176.04260	4.5
177.04166	2.5
177.05629	7.5
177.09045	2.0
179.10568	2.2
181.10138	3.7
183.11685	6.1
185.09616	3.6
185.13216	10.0
187.03882	13.8
187.07483	1.9
187.11172	5.2
187.14836	7.8
188.04117	2.4
189.05417	6.6
189.09050	4.0
189.12746	2.6
189.16147	2.5
191.10689	4.6
193.12157	2.6
195.08047	1.8
195.11664	4.5
196.82880	1.5
197.13251	5.9
199.07437	1.8
199.11166	3.1
199.14799	6.7
201.05592	7.8
201.09073	6.5
201.12741	4.9
201.16389	4.4
203.03328	2.4
203.10649	2.9
209.13268	2.9
211.07520	5.6
213.09026	6.5
213.12798	2.9
213.16426	4.6
215.10654	2.6
215.14342	2.8
215.17940	2.0
217.19479	3.3
223.14792	5.9
227.14412	1.9
227.18016	2.6
228.06953	3.4
229.08524	5.2
231.10193	19.1
231.13792	3.1
233.15294	1.9
239.17900	9.4
240.11449	2.1
241.08635	2.8
241.15839	2.5
241.19473	8.2
242.08859	5.0
243.09879	14.9
243.20984	1.9
244.10623	2.2
245.15382	3.7
253.19653	1.8
255.13768	7.2
255.21092	2.4
257.18994	5.5
259.09680	6.6
259.16858	3.1
269.22626	17.9
273.11639	3.1
273.14871	6.7
273.22025	2.9
279.21024	3.6
287.23514	8.7
297.14676	7.9
297.18723	3.5
297.22113	18.7
315.15976	58.5
315.19736	8.0
315.23157	100.0
316.16339	3.5
316.23535	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	315.159
Annotation	Ferulagol A
Peak:m/z	Relative Intensity
55.01850	0.9
55.05515	3.0
57.07048	2.3
59.04976	0.6
60.04500	1.8
67.05474	1.2
69.07053	1.2
71.18427	0.9
71.18756	0.6
71.26201	0.6
75.58190	0.5
77.09947	0.6
79.05470	1.5
81.03391	0.5
81.07030	1.4
85.06546	1.1
89.24281	0.6
91.05470	9.4
91.27530	0.5
91.81248	0.5
93.07047	0.6
93.40422	0.6
95.04974	0.4
95.08642	0.6
99.85480	0.5
103.05441	0.8
105.07013	1.1
108.05827	0.5
112.11486	0.5
115.05447	1.0
117.07004	0.9
119.04955	4.0
121.02802	0.6
123.11707	1.0
128.06203	1.5
129.06987	0.8
131.04970	3.1
133.10130	0.5
141.07025	0.8
142.07738	0.8
143.08549	1.6
145.06401	1.0
145.10120	0.8
147.03246	1.1
147.04407	18.9
147.08022	0.8
149.02356	0.7
157.10101	1.0
159.04422	5.4
159.08005	0.8
161.09605	0.8
163.03879	2.3
167.08524	0.7
171.04407	1.1
171.08020	1.7
172.08856	0.8
173.05971	1.9
173.09557	1.3
175.03903	100.0
176.04236	2.8
177.05455	1.3
185.06035	0.8
185.09590	3.1
186.06842	0.6
187.03906	7.1
187.07536	2.1
189.03989	0.7
189.05479	5.7
189.09085	4.1
194.04437	0.7
195.08032	1.0
197.06029	0.6
197.09566	0.8
198.06752	0.9
199.03908	4.5
199.07541	0.8
200.12997	0.5
201.05478	4.1
201.09111	3.4
203.03426	0.9
203.07085	0.8
209.09666	0.6
212.08417	0.9
213.05524	1.3
213.09099	9.6
214.06174	2.0
215.07016	9.8
215.10606	0.7
216.06760	0.5
217.04951	1.1
217.08493	2.5
219.09993	0.6
223.07532	0.7
225.09206	0.8
226.06244	0.6
227.10596	2.7
227.14265	1.0
229.08611	4.3
229.12163	2.4
231.10146	4.2
237.12761	1.0
240.11458	1.4
241.08578	7.5
243.10249	2.6
244.10782	0.7
251.14389	0.8
255.10181	10.2
255.13809	11.9
259.09662	14.1
269.15289	0.8
273.11633	1.8
273.14838	39.3
274.15250	1.6
297.14844	17.3
298.15103	1.0
315.15927	28.5
316.16196	1.0
316.28189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1589
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
55.01855	3.0
55.05494	2.6
57.07065	1.1
65.03942	2.5
67.05484	4.0
69.07055	2.8
69.71570	5.2
72.00861	2.6
74.71372	1.0
75.36938	0.9
79.05508	1.9
81.07058	6.0
85.06538	1.0
91.05483	2.1
93.03391	1.1
93.07047	2.8
95.04975	1.2
95.08606	2.4
98.21426	1.4
105.07014	2.4
107.08626	1.6
109.02870	1.2
109.10179	5.8
117.07010	1.5
119.04905	1.8
119.08582	2.4
121.02818	1.3
121.06511	1.0
121.10121	2.5
123.04427	12.8
123.11678	6.3
128.06282	1.2
129.07033	1.4
131.01320	0.9
131.04933	1.0
131.08598	1.4
133.06531	1.3
133.10167	1.4
135.04442	6.3
135.11700	1.7
142.07776	2.4
143.08559	4.1
145.10123	1.6
147.04359	4.4
147.08032	1.4
149.02350	20.8
149.05939	1.4
155.08563	2.0
157.06482	2.3
157.10107	6.6
159.04448	3.0
159.08066	1.1
161.06035	1.2
163.03864	1.8
163.07581	1.8
164.04681	2.7
167.03413	27.6
167.08524	1.6
169.06487	1.2
171.04366	2.0
171.08083	5.5
172.08818	3.2
173.05884	1.9
173.09637	2.9
175.03894	3.9
177.04198	3.8
177.05550	6.2
177.09155	1.4
179.08578	1.1
181.10112	1.5
183.07996	2.1
185.09604	12.4
186.06781	3.7
187.03979	1.5
187.07532	3.2
189.05510	4.5
189.09123	4.5
190.05205	1.1
194.04491	51.1
194.10913	1.2
195.08066	2.6
197.09612	1.7
198.06767	3.1
198.10243	1.1
199.07462	1.4
199.11180	3.2
201.05496	2.9
201.09116	20.5
202.09468	1.3
203.07074	1.6
205.05066	1.0
209.09604	1.3
211.07565	1.0
212.08293	3.3
212.11967	1.5
213.09114	39.5
213.12640	2.1
214.09540	1.4
215.07050	3.4
215.10696	2.2
217.04092	0.8
217.08507	1.0
222.10394	2.7
225.09164	4.5
226.09962	1.4
227.10757	9.2
227.14284	15.7
231.02931	3.3
231.10228	5.4
234.07742	1.5
236.09225	0.9
237.12775	9.7
240.11450	8.2
241.12115	1.2
243.10188	16.2
245.11630	3.1
247.09668	1.2
248.09435	1.0
251.14299	1.3
255.10173	6.0
255.13805	100.0
256.14218	5.4
258.12488	1.5
260.09241	3.6
269.15311	7.2
271.09814	1.0
273.11887	1.1
273.14850	27.1
274.15176	1.4
287.16531	1.0
297.14862	12.1
300.06354	6.6
315.08588	11.2
315.15921	77.7
316.15875	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	315.1589
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
55.01828	0.6
55.05492	1.2
67.05482	0.9
71.26401	1.0
73.78661	0.5
81.07017	0.8
86.59959	0.5
87.55872	0.5
91.05456	0.6
93.06996	0.8
95.08557	0.6
105.06975	0.6
107.04944	0.6
109.10131	0.7
119.04927	0.8
119.08517	0.7
128.06183	1.1
129.06982	1.5
131.28960	0.5
135.04391	0.6
141.07014	0.7
142.07738	2.2
143.08539	3.6
145.06435	0.7
147.04205	0.5
148.87859	0.6
149.02315	0.9
155.08530	1.5
156.09323	1.0
157.06482	1.5
157.10126	5.6
159.04408	1.0
159.08009	0.6
161.05974	0.6
166.07704	0.6
167.03421	0.8
167.08568	1.2
170.07210	0.7
171.04411	2.8
171.08055	3.9
171.11507	0.7
172.08826	2.8
173.09625	1.3
175.03883	0.9
179.08586	1.4
181.10110	1.6
183.08051	0.6
184.08792	1.5
185.05991	1.4
185.09624	12.8
186.09920	0.5
187.07465	0.6
189.09076	0.9
194.04462	2.0
194.10884	1.2
195.08038	2.2
197.05949	0.7
197.09581	2.1
198.06674	3.0
199.07498	1.0
199.11163	3.4
201.09087	4.2
203.07132	0.7
209.09650	1.7
209.13193	0.8
211.07527	1.3
212.08322	3.1
212.11938	1.5
213.09108	39.9
213.12646	2.0
214.09482	1.4
215.10794	0.8
217.08524	1.1
222.10393	2.2
225.09058	4.7
227.10715	9.1
227.14268	15.1
231.10060	0.6
237.12703	8.8
240.11438	8.3
241.12129	1.1
241.15877	0.9
245.11766	2.2
247.09811	0.7
251.14407	1.8
253.12234	0.7
255.10294	5.0
255.13795	100.0
256.14139	5.3
257.08142	1.0
269.15323	6.4
270.15668	0.8
273.11227	1.5
273.14874	2.5
285.11316	0.7
297.14856	10.2
300.13681	0.7
315.15897	63.0
316.16245	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	315.1589
Annotation	Anisocoumarin F
Peak:m/z	Relative Intensity
51.02390	0.4
53.01548	0.5
55.05513	8.7
57.07077	9.4
59.05005	17.7
60.90420	0.5
65.03937	0.5
67.05499	1.5
68.99799	0.7
69.07059	2.0
69.70220	2.9
71.89108	0.5
77.35308	0.5
81.07041	0.8
83.01337	1.6
85.06552	9.3
91.05485	8.8
103.05461	1.6
105.07017	1.9
106.29059	0.5
115.05457	0.6
117.06975	0.6
119.04951	4.7
121.06482	1.8
128.06224	0.5
129.06934	0.6
131.04913	2.9
133.06485	1.5
145.06456	1.0
147.04420	18.6
148.04936	0.9
159.04399	3.1
161.06064	2.5
163.03874	0.8
171.04570	0.5
173.06010	2.0
175.03915	100.0
176.04262	4.0
177.05489	23.8
178.05844	0.8
187.03909	13.6
187.07512	2.2
189.05470	18.0
190.05916	0.6
199.03850	1.2
201.05463	5.7
201.09167	1.0
203.03395	5.7
203.07133	1.2
203.10667	1.6
213.09042	0.9
215.06993	2.1
216.06430	0.5
217.04974	1.5
217.08600	1.1
229.08575	3.9
231.10168	31.0
232.10411	1.4
241.08589	1.8
243.10243	1.1
247.09602	0.7
259.09683	9.5
294.10666	0.6
315.15921	23.9
315.28043	1.2
315.31732	0.6
316.16321	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	315.1588
Annotation	Anisocoumarin F
Peak:m/z	Relative Intensity
53.20427	0.7
55.05515	8.7
56.67607	0.8
56.77219	0.7
57.07074	10.3
59.04717	0.9
59.05000	17.4
66.56724	0.9
66.97764	0.8
67.05499	1.4
69.07067	1.2
69.51879	2.5
69.52306	3.1
79.05475	0.9
81.03471	0.7
81.07089	0.8
83.01350	0.9
83.03107	0.7
83.04969	0.8
85.06537	9.1
91.05491	8.3
95.04942	0.9
95.08601	1.3
103.05489	0.9
105.07041	2.3
115.05436	1.1
117.07043	1.0
119.04935	5.0
121.06506	1.8
125.20026	0.7
128.06219	1.0
129.06985	0.8
131.04927	3.8
133.06453	1.2
142.07744	0.8
147.04411	20.0
148.05046	0.9
157.10133	1.0
159.04390	4.9
159.11647	1.3
161.05978	2.8
163.03944	1.2
175.03905	100.0
175.11221	1.0
176.04350	2.6
177.05476	20.3
187.03909	13.8
187.07512	1.3
189.05464	17.1
201.05466	4.9
201.09164	0.9
203.03410	3.6
203.07025	2.4
203.10677	2.1
213.09142	1.1
215.07021	2.6
217.04958	1.4
229.08554	3.1
231.10168	30.4
232.10463	1.2
241.08572	2.2
243.10014	1.5
247.09622	1.0
259.09650	10.2
297.18616	1.2
315.15909	23.3
315.19452	1.9
316.16220	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1588
Annotation	Anisocoumarin F
Peak:m/z	Relative Intensity
53.03930	0.4
55.05511	7.4
56.59859	0.2
57.06797	0.3
57.07077	10.0
59.05000	18.4
65.03922	0.5
67.05161	0.3
67.05487	1.4
68.99777	0.4
69.07063	1.0
70.34344	1.1
70.34708	0.3
75.52535	0.2
79.05486	0.8
83.01333	1.4
83.04995	0.4
85.06542	9.1
91.05480	10.9
94.81745	0.3
95.01284	0.3
102.30309	0.3
103.05467	1.5
105.07005	1.3
107.04962	0.3
115.05464	0.3
117.07010	0.6
119.04940	5.6
121.02833	0.3
121.06527	1.3
128.06192	0.3
129.06976	0.4
131.04926	4.8
131.08505	0.4
133.06462	1.5
145.06509	0.6
147.04407	19.2
148.05165	0.6
157.10074	0.3
157.94556	0.3
159.04419	3.5
161.05983	2.7
163.03894	0.8
169.45464	0.3
173.05983	1.4
175.03905	100.0
176.04414	1.6
177.05467	20.5
178.05823	0.5
185.09499	0.4
187.03900	11.6
187.07433	1.5
188.08243	0.4
189.05464	16.8
199.03918	0.9
201.05463	4.9
201.09116	0.6
203.03397	4.0
203.06998	1.8
203.10681	2.3
213.05406	0.3
213.09119	0.8
215.07033	2.1
216.06442	0.4
217.04935	1.2
217.08493	1.3
229.08566	2.4
231.10159	24.3
232.10605	0.4
241.08604	1.6
243.10127	0.5
247.09656	0.9
259.09665	5.3
315.15894	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	315.1588
Annotation	Ferulagol A
Peak:m/z	Relative Intensity
50.53156	1.0
53.57411	1.0
55.05512	8.8
57.07081	8.1
59.05006	17.5
65.03927	1.6
67.05504	6.4
69.07063	3.6
69.26067	10.4
79.05486	2.5
81.07051	4.8
83.01351	1.4
83.04964	1.1
83.79242	1.0
85.06540	8.4
91.05485	11.2
93.07032	3.0
95.08608	4.9
98.20792	2.4
101.78806	0.9
103.05445	1.9
105.07012	3.2
107.08597	2.0
109.10168	3.0
114.30266	0.9
117.07024	1.6
118.54008	1.0
119.04964	4.6
119.08591	2.5
119.09387	0.9
121.06522	2.0
121.10190	2.6
124.43813	1.1
131.04956	5.3
131.08629	1.2
133.06480	2.1
135.11685	1.0
137.13191	1.4
145.06509	1.7
145.10168	1.3
147.04407	21.9
155.08485	1.3
157.10182	2.8
159.04428	4.8
159.11652	1.7
161.06050	2.3
163.03879	1.8
171.11571	1.1
173.05997	1.8
175.03911	100.0
176.04356	4.6
177.05498	21.5
185.09587	1.7
187.03922	15.3
188.04228	1.1
189.05495	17.6
191.03485	1.4
199.03882	1.2
201.05450	5.8
201.09189	1.1
203.03410	5.3
203.10768	2.0
213.09094	2.9
215.07040	3.1
216.06541	1.7
217.04939	1.1
229.08551	5.4
231.10170	32.3
232.10468	1.3
241.08673	3.5
242.08995	1.5
243.09506	2.1
247.09616	1.6
255.13805	1.9
259.09653	13.5
297.14682	3.0
315.15979	31.7
315.23126	3.4
315.26346	1.2
316.16144	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1591
Annotation	O-Methyloctandrenolone
Peak:m/z	Relative Intensity
52.61251	0.7
52.71997	0.9
55.05478	2.2
57.07059	0.9
59.04973	1.7
67.05479	1.6
69.07072	13.5
70.57413	1.8
70.57750	0.8
79.05476	1.3
81.07043	1.6
83.08599	1.0
85.06538	1.0
91.05485	6.4
93.07024	1.9
95.08567	1.9
97.06461	0.9
102.73013	0.7
103.05440	0.9
105.07010	0.9
107.08519	1.1
109.10148	2.1
111.11696	0.7
115.05443	1.0
119.04936	4.0
121.10151	1.7
123.11658	1.2
128.06148	1.0
129.06982	0.9
131.04926	16.3
131.08586	1.1
133.02882	1.0
135.04369	0.8
141.06931	1.4
142.07819	1.3
143.08527	1.0
145.06458	1.2
147.04410	18.0
152.06216	0.8
153.06999	1.0
153.65144	0.7
155.08546	1.8
157.10179	1.5
159.04424	18.0
160.04802	1.3
163.03915	1.5
165.07108	0.9
167.08583	1.0
169.10156	0.9
171.07930	0.8
173.06035	1.8
175.03912	100.0
176.04257	5.1
177.04272	1.3
177.05580	1.0
185.05977	1.0
185.09645	1.0
187.03911	92.3
187.07520	2.4
188.04253	3.9
189.05585	4.9
195.08025	4.8
197.09506	0.9
198.06763	1.1
199.04019	1.0
199.07513	1.3
201.05515	4.6
201.09108	1.7
203.03485	1.1
203.07097	1.4
205.05003	3.1
211.07614	1.0
213.05351	0.9
213.09055	4.4
215.07071	2.2
217.08774	1.0
223.07550	8.0
226.06261	1.9
227.06993	2.1
228.07353	0.9
229.08604	15.3
231.10191	1.6
241.08607	29.0
242.08878	2.0
243.10229	22.5
244.10527	1.6
245.10773	1.1
247.09680	17.1
255.10269	2.3
255.13878	3.1
257.12030	0.9
259.09659	40.9
260.10089	2.1
272.11990	1.2
273.14914	1.9
297.14993	4.2
297.18057	0.9
299.10950	1.4
300.06299	1.1
300.11578	1.2
315.15973	70.9
316.16336	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	315.1591
Annotation	Chalepin
Peak:m/z	Relative Intensity
53.03935	1.0
55.01851	1.2
55.05513	2.2
55.05716	0.4
57.03425	0.5
65.64403	0.4
67.05477	2.0
69.03398	1.0
69.07051	1.3
69.23355	0.8
69.23758	4.0
70.06571	0.6
70.96608	0.5
71.04966	0.5
77.03933	0.5
79.05461	1.4
81.03409	2.5
81.03812	0.5
81.07020	2.0
83.04945	0.5
83.28284	0.5
85.02886	1.2
85.06521	1.1
91.05451	1.8
93.07011	1.9
95.04956	0.9
95.08564	1.4
98.21568	1.0
98.97559	0.5
105.07022	2.6
107.04928	1.1
107.08569	1.8
109.02880	3.3
109.06428	0.5
109.10133	1.1
111.04397	0.6
115.05427	0.5
117.06985	0.8
119.04877	1.2
119.08559	1.2
121.02815	0.6
121.06500	1.2
121.10123	1.1
123.04414	0.6
123.11636	0.5
127.03915	0.5
128.06186	1.0
129.06967	2.0
131.04901	1.4
131.08527	1.4
133.02795	0.5
133.06454	0.8
133.10123	1.5
135.04391	0.7
137.05994	1.1
139.07550	0.5
141.06956	0.9
142.07780	2.5
143.08565	3.7
145.06493	1.0
145.10170	0.5
146.03677	0.6
147.04329	1.0
151.03838	0.7
153.06972	0.9
155.08534	1.3
155.31274	0.5
156.09283	0.7
157.06493	1.7
157.08968	0.5
157.10123	5.2
159.04375	1.1
159.08067	0.9
159.11687	0.7
161.05975	3.7
161.09663	0.5
165.06956	1.5
166.07858	0.6
167.03413	0.7
167.08577	2.3
168.09261	0.9
169.06413	0.8
169.10095	1.2
170.07259	0.8
170.10855	0.6
171.04390	2.7
171.08008	4.6
171.11684	1.7
172.08852	2.8
173.05991	0.6
173.09634	2.2
175.03893	2.9
175.07492	0.6
177.05550	0.9
177.06914	1.1
179.08536	0.8
179.16786	0.4
181.06485	0.6
181.10069	1.0
182.07262	0.7
183.07988	1.0
184.08820	1.5
185.06001	1.1
185.09619	13.3
186.10121	0.6
187.03967	0.6
187.07549	0.8
189.05479	0.7
189.09093	1.4
194.07396	1.1
194.10939	0.9
195.02908	5.1
195.06546	0.9
195.08043	4.5
195.11615	1.0
196.08701	0.5
197.05966	1.7
197.09605	1.6
198.06789	2.9
198.10411	0.6
199.07387	0.8
199.11165	3.2
199.14905	0.9
201.05473	0.6
201.09103	1.7
203.07059	1.2
203.10637	0.6
205.06505	0.5
208.05212	1.2
209.06049	0.8
209.09644	1.6
209.13284	0.9
211.07527	1.6
212.08351	3.4
212.11966	1.5
213.09111	42.1
213.12654	2.2
214.09497	1.8
215.07053	0.7
215.10713	0.9
217.08623	1.4
222.06792	0.6
222.10448	2.2
223.07443	2.6
225.05472	0.8
225.09082	3.1
226.09756	0.7
226.12041	0.6
227.07104	0.8
227.10718	10.4
227.14276	15.7
228.14648	1.2
229.08548	0.9
231.10030	1.1
237.09114	1.0
237.12758	7.4
240.07925	1.2
240.11459	8.2
241.08540	0.7
241.12195	1.0
241.15862	0.6
242.13101	0.5
243.10219	0.7
245.11693	3.3
251.07143	1.3
251.14421	1.3
255.10278	7.9
255.13808	100.0
256.14142	5.4
257.08084	1.0
265.08496	0.7
269.07925	0.7
269.15369	8.0
271.13290	0.6
273.11334	1.7
273.14862	3.1
283.09674	8.6
283.13135	0.7
284.10205	0.8
285.11270	1.0
287.16281	0.9
297.11606	0.9
297.14890	12.3
297.18164	0.5
298.15070	0.8
315.08420	2.3
315.12598	5.5
315.15918	85.6
316.08286	2.8
316.16214	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	315.1589
Annotation	Cryptomoscatone E1
Peak:m/z	Relative Intensity
50.01571	0.3
55.01831	0.8
55.05453	1.5
57.03418	0.4
67.05444	1.6
69.03375	0.9
69.07006	1.3
70.06519	0.6
70.23810	1.5
71.04926	0.5
72.47072	0.3
76.33805	0.4
77.03917	0.3
79.05441	1.0
81.03391	0.9
81.06996	1.1
82.87095	0.4
85.02864	0.7
86.09641	0.5
91.05435	1.2
91.56592	0.3
93.06981	1.0
95.04928	0.6
95.08551	0.9
97.06478	0.5
105.07050	1.7
107.04890	0.5
107.08590	0.9
109.02890	2.0
109.10091	1.0
115.05410	0.8
117.06975	0.6
119.04866	0.6
119.08521	1.3
121.10088	0.7
121.43145	0.4
123.04375	0.5
127.03873	0.4
128.06181	0.6
129.06960	1.7
131.04874	1.2
131.08516	0.9
133.02876	0.5
133.06448	0.9
133.10089	0.8
135.04395	0.8
135.11676	0.4
141.06920	1.3
142.07788	1.7
142.08701	0.4
143.08554	1.8
145.06395	0.8
145.10138	0.7
146.03569	0.4
147.04424	0.6
147.07874	0.4
149.02316	0.5
149.06003	0.5
151.03891	0.4
152.06168	0.9
153.06877	0.5
155.08479	1.1
156.09261	0.7
157.06392	1.2
157.10143	4.4
159.04315	0.7
159.08009	0.8
161.05980	2.1
165.06969	0.8
166.07747	0.5
167.03339	0.4
167.08519	1.5
169.06439	0.6
169.10042	0.6
170.07248	0.7
171.04416	2.1
171.08037	3.4
171.11610	0.7
172.08797	2.7
173.05992	0.6
173.09618	1.8
175.03906	1.1
177.05444	0.7
179.08539	0.9
181.10098	1.0
183.07983	0.9
184.08794	1.3
185.05978	1.3
185.09598	11.3
185.13147	0.6
186.06738	0.7
187.07462	1.1
189.09091	1.3
191.07016	0.4
194.10980	0.9
195.02869	3.0
195.08046	2.7
197.05983	1.0
197.09560	1.5
198.06720	2.8
199.07462	1.5
199.11203	2.1
199.14832	0.7
201.07278	0.7
201.09090	7.5
203.07062	0.6
208.05099	0.4
209.09573	1.1
209.13261	0.7
211.07620	0.9
211.11179	0.6
212.08325	4.3
212.11928	1.3
213.09099	32.1
213.12553	1.6
214.09476	1.1
215.07034	0.5
215.10640	0.6
217.08568	0.8
222.06743	0.4
222.10426	2.1
223.07605	0.9
225.09056	4.2
225.12546	0.4
226.09680	0.5
227.10709	6.4
227.14288	11.4
228.11034	0.4
231.10184	0.8
237.09088	0.4
237.12733	10.8
238.13086	0.8
239.10643	0.8
240.07774	0.5
240.11453	7.8
241.08617	0.6
241.11989	0.9
241.15918	0.6
243.10121	0.7
245.11694	2.1
247.09587	1.9
251.14294	1.3
253.12173	0.9
254.05586	0.7
255.10272	4.3
255.13794	100.0
256.14117	6.1
257.07892	0.6
259.09604	1.1
269.08148	0.4
269.15372	6.3
270.15750	0.5
273.11246	1.4
273.14877	1.5
283.09622	3.4
285.11099	0.4
287.16263	0.7
297.11597	0.7
297.14868	9.7
298.14896	0.5
300.06323	2.7
300.10965	0.5
315.08792	5.1
315.12885	1.9
315.15927	42.0
316.08386	1.5
316.16211	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.159
Annotation	(-)-(aS,9S,9'S)-Alnusdiol
Peak:m/z	Relative Intensity
53.03930	1.4
55.01874	2.7
55.05511	2.4
55.05718	0.5
57.03437	6.4
65.03931	0.5
67.05497	1.3
69.03407	1.1
69.07046	1.5
70.06568	1.5
70.85374	0.7
70.85731	1.1
71.04997	0.5
72.08134	0.8
79.05482	1.8
81.03419	5.5
81.07024	1.8
83.04965	0.8
84.08134	0.7
85.02905	16.3
85.06553	0.6
86.09699	2.6
91.05462	2.3
93.07030	1.5
95.04961	1.2
95.08585	0.6
97.02863	1.8
99.04425	1.0
103.05437	0.7
105.07013	1.7
107.01295	1.3
107.04881	0.6
107.08573	1.3
109.02877	8.0
109.06496	0.9
111.00788	0.9
111.04486	0.6
115.05487	0.4
119.04930	1.0
119.08572	1.2
121.02850	1.5
121.06503	0.9
125.02335	2.5
125.09608	0.6
127.03886	1.8
128.06218	1.2
129.06984	1.6
129.10194	0.6
131.04942	1.0
131.08536	0.6
133.06448	1.0
133.99968	0.5
135.04391	0.9
141.06987	0.9
142.07747	2.2
143.08556	2.4
145.10126	1.4
147.04391	1.1
149.02318	1.8
153.01805	3.3
155.08559	1.7
157.06477	1.7
157.10118	4.1
159.04369	1.0
159.08046	0.8
161.06007	1.0
161.09555	0.6
165.06903	0.6
166.07854	0.8
167.03423	1.0
167.08540	1.6
170.07286	0.9
171.02870	4.0
171.04428	2.6
171.08047	3.1
171.11662	0.9
172.08759	2.8
173.05911	0.8
173.09608	2.2
175.03912	1.0
175.07504	1.4
177.01846	2.0
177.05450	0.7
179.08553	0.9
181.10150	0.9
183.08026	1.4
184.08809	1.0
185.05971	1.2
185.09612	10.3
187.07460	1.3
187.11079	0.8
189.05508	0.7
189.09076	1.2
194.10895	1.0
195.02890	87.2
195.07892	2.8
196.03267	3.1
197.05939	0.6
197.09547	1.9
198.06750	1.9
198.10326	0.8
199.07501	1.1
199.11105	2.7
199.14749	1.1
201.09099	5.1
203.07074	1.4
209.09581	1.7
209.13234	0.7
211.07516	0.6
211.11194	1.1
212.08322	2.1
212.11926	1.4
213.03798	2.5
213.09102	35.8
213.12672	2.7
214.09491	1.9
215.07063	0.8
215.10564	0.9
217.08623	1.1
221.87521	0.5
222.10426	1.6
225.09067	3.3
226.09769	0.8
227.10709	11.0
227.14258	14.4
228.11086	0.6
228.14732	0.7
231.10172	0.8
237.12720	6.4
239.10648	0.7
240.07729	0.7
240.11440	7.6
241.12132	1.6
243.10176	1.8
245.11646	3.6
251.07060	0.6
251.14288	1.5
255.10146	3.9
255.13795	100.0
256.14117	4.0
257.08038	1.7
269.15414	7.1
273.07358	0.7
273.11581	0.9
273.14835	5.9
283.09763	1.5
285.11160	1.1
297.14868	10.1
315.08542	4.7
315.15915	93.4
316.16150	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	315.1589
Annotation	Chalepin
Peak:m/z	Relative Intensity
55.01853	2.6
55.05515	4.1
57.03411	3.0
57.07064	1.0
59.04981	0.8
65.03929	0.8
67.05511	3.5
67.05781	0.7
69.03412	1.4
69.07045	2.4
69.80141	1.6
69.80553	2.2
70.49773	0.5
71.04997	1.0
79.05478	2.4
81.03381	2.6
81.07050	3.4
84.84492	0.8
85.02905	6.9
85.06499	0.7
91.05450	2.6
93.07036	1.9
95.04990	1.4
95.08579	2.0
97.10184	0.8
97.95178	0.6
98.20785	0.7
103.05461	1.2
105.03395	1.3
105.07004	2.3
107.04961	0.9
107.08607	3.0
109.02895	3.1
109.06470	0.7
109.10121	2.0
115.05441	1.2
117.07020	1.4
119.04910	1.1
119.08549	1.9
121.02835	1.3
121.06447	0.9
121.10152	2.1
122.09653	2.2
122.35137	0.7
123.04411	1.0
125.02321	1.6
128.06195	1.2
129.06979	1.8
131.04915	2.7
131.08565	0.9
133.02875	1.1
133.06485	1.4
133.10158	0.7
134.03279	0.7
135.04395	2.5
135.08046	0.9
137.05927	1.1
141.06987	1.2
142.07764	2.4
143.08574	3.6
144.05698	0.7
145.10132	1.3
146.03604	1.8
147.04388	2.5
147.08000	1.3
147.11642	0.9
149.02301	1.9
151.03865	1.0
152.06161	1.8
153.01820	0.9
155.08484	1.4
157.06482	1.4
157.10133	4.9
159.04411	2.6
159.08081	2.1
159.11673	1.1
161.05952	6.3
165.01692	0.7
165.05536	0.7
165.06984	2.7
166.07736	1.2
166.12215	0.6
167.03386	2.1
167.07219	0.7
167.08580	3.4
169.06416	1.3
169.10144	1.2
170.07266	0.9
171.02986	0.9
171.04410	1.8
171.08076	4.9
171.11786	1.0
172.08865	3.0
173.05983	1.7
173.09546	2.0
175.03918	5.4
175.07590	1.1
176.04291	1.3
177.05522	1.5
177.06865	1.1
178.04916	0.8
179.08582	1.5
181.06396	1.4
181.10042	1.3
183.08057	1.4
184.08844	1.2
185.05983	1.3
185.09595	12.0
187.03941	0.8
187.07509	3.0
189.05504	1.3
189.09123	2.1
191.06995	1.7
193.04910	1.5
193.06494	1.2
194.04466	2.7
194.07231	1.8
194.10983	1.0
195.02882	31.3
195.07986	6.5
197.05989	1.9
197.09586	2.0
198.06735	2.2
198.10353	1.6
199.07530	2.3
199.11165	3.6
199.14801	0.8
201.05533	0.8
201.09106	9.6
202.09601	0.7
203.07022	1.4
205.06494	0.6
208.05101	1.4
209.09598	1.9
209.13223	1.7
211.07460	1.5
211.11276	0.8
212.08275	3.1
212.11940	1.6
213.09099	37.8
213.12639	2.3
214.09517	1.4
215.10623	1.4
217.08569	1.2
221.05928	0.8
222.06717	1.5
222.10410	2.1
223.07590	4.9
223.14798	0.9
224.08165	1.2
225.05490	0.9
225.09103	4.4
225.12683	0.9
226.09755	1.0
227.10707	10.1
227.14279	12.1
229.08609	1.2
230.04515	0.9
231.10094	1.7
237.09062	2.3
237.12746	7.5
239.06935	1.8
240.07813	1.7
240.11400	8.0
241.08629	2.7
241.12257	1.3
241.15640	0.9
243.09853	2.2
245.11641	2.4
247.09677	1.1
251.07069	1.8
251.14264	0.8
253.08430	1.0
253.12140	1.3
255.10295	10.8
255.13799	100.0
256.14200	4.4
257.08047	2.5
259.09552	1.1
265.08673	1.5
269.08002	2.0
269.15366	7.8
271.13239	3.4
273.11795	1.0
273.14874	8.4
279.13721	1.0
283.09628	14.2
284.10242	1.5
285.11130	1.1
297.11624	1.3
297.14871	13.1
298.14600	1.0
299.11014	0.8
300.05139	1.4
301.05811	1.7
315.08420	3.7
315.12357	9.0
315.15887	85.8
316.08228	8.6
316.12170	1.0
316.16229	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	315.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01867	1.7
55.05483	1.3
61.23308	0.3
65.03916	0.5
67.05496	0.7
69.03406	0.3
69.07057	0.8
69.24144	2.4
69.24562	1.2
70.89977	0.4
78.44028	0.3
79.05458	0.5
81.03407	2.2
81.07037	0.8
83.62890	0.3
85.06525	0.6
91.05466	1.2
93.07035	0.8
95.08601	0.6
100.35980	0.3
103.05454	0.4
105.07010	0.9
107.04978	0.4
107.08595	0.4
109.02882	5.1
115.05405	0.5
117.06985	0.7
119.04911	0.7
119.08549	1.1
128.06190	1.2
129.06964	1.3
131.04968	0.4
133.06499	0.4
133.10103	0.3
135.04433	0.9
141.06938	0.5
142.07790	2.5
143.08566	2.5
145.06474	1.2
145.10100	0.6
146.97940	0.3
147.04396	0.7
152.06084	0.4
155.08546	1.0
156.09341	0.5
157.06462	1.4
157.10121	4.7
158.07234	0.5
159.04434	2.2
159.07971	1.0
161.05942	0.6
163.07439	0.3
165.07010	0.7
166.07692	0.4
167.08542	1.1
168.09314	0.4
169.06392	0.4
169.10127	0.5
170.07228	0.4
171.04448	1.6
171.08037	3.5
171.11662	0.7
172.08861	2.9
173.05972	1.3
173.09641	1.9
173.77797	0.3
175.03877	0.6
175.07478	0.4
177.05559	0.8
179.08487	1.1
181.06532	0.4
181.10104	1.4
183.08073	1.3
184.08771	1.0
185.06017	1.3
185.09618	10.8
186.06525	0.3
187.07492	1.6
188.08308	0.5
189.05446	0.4
189.09128	1.6
194.10872	0.9
195.02911	1.1
195.08008	2.6
197.05994	0.8
197.09720	1.7
198.06821	2.7
198.10384	0.6
199.07506	1.9
199.11211	3.0
199.14891	0.7
200.08313	0.4
201.05470	1.1
201.09105	7.1
203.06955	0.6
209.09612	1.5
209.13182	0.8
211.07559	1.2
211.11206	0.5
212.08316	2.8
212.11952	1.9
213.09109	33.6
213.12659	2.7
214.06323	0.4
214.09422	1.7
215.06993	0.7
215.10658	0.9
217.08549	1.1
219.06535	0.3
222.10378	1.6
223.11133	0.4
225.09065	3.3
226.09871	0.9
227.10727	8.3
227.14290	12.8
229.08662	0.7
229.12213	0.6
231.10219	1.6
237.12759	8.1
239.10641	0.6
240.09044	0.5
240.11424	7.9
241.08597	0.7
241.12143	1.2
241.15825	0.5
242.12950	0.6
243.10205	2.0
245.11731	2.2
247.09589	1.6
251.14325	1.3
253.12180	0.7
255.10260	3.9
255.13802	100.0
256.14194	4.8
257.08093	1.7
259.09717	0.6
269.15399	6.6
270.15738	0.4
271.09845	0.4
273.11340	1.3
273.14859	7.0
274.14804	0.4
283.09531	0.8
285.11136	1.9
287.16489	0.7
297.14835	11.6
298.15186	0.6
300.13470	0.5
315.15909	77.3
316.16306	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	315.1588
Annotation	(-)-(aS,9S,9'S)-Alnusdiol
Peak:m/z	Relative Intensity
53.03935	0.7
55.01867	1.7
55.05483	1.3
61.23308	0.3
65.03916	0.5
67.05496	0.7
69.03406	0.3
69.07057	0.8
69.24144	2.4
69.24562	1.2
70.89977	0.4
78.44028	0.3
79.05458	0.5
81.03407	2.2
81.07037	0.8
83.62890	0.3
85.06525	0.6
91.05466	1.2
93.07035	0.8
95.08601	0.6
100.35980	0.3
103.05454	0.4
105.07010	0.9
107.04978	0.4
107.08595	0.4
109.02882	5.1
115.05405	0.5
117.06985	0.7
119.04911	0.7
119.08549	1.1
128.06190	1.2
129.06964	1.3
131.04968	0.4
133.06499	0.4
133.10103	0.3
135.04433	0.9
141.06938	0.5
142.07790	2.5
143.08566	2.5
145.06474	1.2
145.10100	0.6
146.97940	0.3
147.04396	0.7
152.06084	0.4
155.08546	1.0
156.09341	0.5
157.06462	1.4
157.10121	4.7
158.07234	0.5
159.04434	2.2
159.07971	1.0
161.05942	0.6
163.07439	0.3
165.07010	0.7
166.07692	0.4
167.08542	1.1
168.09314	0.4
169.06392	0.4
169.10127	0.5
170.07228	0.4
171.04448	1.6
171.08037	3.5
171.11662	0.7
172.08861	2.9
173.05972	1.3
173.09641	1.9
173.77797	0.3
175.03877	0.6
175.07478	0.4
177.05559	0.8
179.08487	1.1
181.06532	0.4
181.10104	1.4
183.08073	1.3
184.08771	1.0
185.06017	1.3
185.09618	10.8
186.06525	0.3
187.07492	1.6
188.08308	0.5
189.05446	0.4
189.09128	1.6
194.10872	0.9
195.02911	1.1
195.08008	2.6
197.05994	0.8
197.09720	1.7
198.06821	2.7
198.10384	0.6
199.07506	1.9
199.11211	3.0
199.14891	0.7
200.08313	0.4
201.05470	1.1
201.09105	7.1
203.06955	0.6
209.09612	1.5
209.13182	0.8
211.07559	1.2
211.11206	0.5
212.08316	2.8
212.11952	1.9
213.09109	33.6
213.12659	2.7
214.06323	0.4
214.09422	1.7
215.06993	0.7
215.10658	0.9
217.08549	1.1
219.06535	0.3
222.10378	1.6
223.11133	0.4
225.09065	3.3
226.09871	0.9
227.10727	8.3
227.14290	12.8
229.08662	0.7
229.12213	0.6
231.10219	1.6
237.12759	8.1
239.10641	0.6
240.09044	0.5
240.11424	7.9
241.08597	0.7
241.12143	1.2
241.15825	0.5
242.12950	0.6
243.10205	2.0
245.11731	2.2
247.09589	1.6
251.14325	1.3
253.12180	0.7
255.10260	3.9
255.13802	100.0
256.14194	4.8
257.08093	1.7
259.09717	0.6
269.15399	6.6
270.15738	0.4
271.09845	0.4
273.11340	1.3
273.14859	7.0
274.14804	0.4
283.09531	0.8
285.11136	1.9
287.16489	0.7
297.14835	11.6
298.15186	0.6
300.13470	0.5
315.15909	77.3
316.16306	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	315.1589
Annotation	Chalepin
Peak:m/z	Relative Intensity
53.03937	0.5
53.75480	0.5
55.01874	2.9
55.05485	2.0
57.03407	0.7
61.74281	0.4
62.44305	0.4
67.05466	1.6
69.03398	0.5
69.07050	1.0
70.18770	1.7
71.04964	1.5
72.00857	0.7
72.08130	0.7
79.05458	1.8
81.03381	1.6
81.07027	1.3
85.02876	0.8
91.05446	2.2
93.06992	1.6
94.06596	0.7
95.08566	1.1
105.03365	0.7
105.07010	1.1
107.04967	0.8
107.08537	1.2
108.08099	0.8
109.02877	3.5
109.10110	0.7
115.05415	0.8
117.06984	0.9
119.04958	0.7
119.08537	1.8
120.04427	0.7
120.08086	0.6
121.06524	0.6
121.10038	0.5
123.11819	0.5
125.09566	0.5
128.06184	0.7
129.06978	2.1
131.04912	1.2
131.08568	1.0
133.02821	1.4
133.06439	0.5
133.10065	0.6
134.06065	0.8
135.04413	3.3
136.07559	1.1
137.05925	0.5
141.06958	1.3
142.07779	2.3
143.04898	0.5
143.08560	2.7
145.06447	1.4
145.10104	1.2
147.04395	1.1
147.07985	0.6
148.07538	0.9
149.05907	0.6
150.24562	0.5
153.05534	0.4
153.06934	0.7
154.08580	1.7
155.08536	1.8
157.06453	2.1
157.10115	4.7
158.07286	0.5
159.04369	1.8
159.08015	1.6
159.11617	0.6
161.05998	2.3
162.05519	5.2
165.07018	1.1
166.08611	1.4
167.08572	1.5
169.06468	1.2
169.10075	0.9
170.07214	1.0
171.04440	2.6
171.08026	4.5
171.11659	1.1
172.08762	2.1
173.05991	0.8
173.09590	1.9
175.03922	1.0
175.07611	1.1
178.04958	2.2
179.08582	0.9
181.06462	0.6
181.10094	1.0
183.08046	2.1
184.08844	1.2
185.06009	1.6
185.09625	10.7
185.13162	0.7
187.07481	2.1
189.09113	2.1
194.10870	1.2
195.02913	2.8
195.08047	3.5
197.05891	0.9
197.09621	1.9
198.06726	1.8
198.10400	0.6
199.07523	1.9
199.11179	2.6
200.08305	0.7
201.09102	9.5
203.07010	1.0
209.09569	1.5
209.13297	1.1
211.07538	1.4
211.11177	0.9
212.08310	1.6
212.11908	1.5
213.09109	37.1
213.12657	2.9
214.09566	1.7
215.06970	0.7
215.10699	1.2
217.08572	1.4
218.08365	0.6
222.10399	1.9
223.07501	0.7
225.09109	2.6
225.12740	0.6
226.09677	0.8
227.10675	9.9
227.14258	14.2
229.08601	1.2
230.08167	0.7
231.10172	2.0
237.09038	0.5
237.12750	7.0
239.10704	0.7
240.07878	0.9
240.11475	6.2
241.08678	0.9
241.12177	1.1
243.10115	2.0
244.05939	0.7
245.11732	3.0
247.09616	0.9
250.38097	0.5
251.14293	1.9
253.12259	1.2
255.10335	5.1
255.13800	96.8
256.14163	4.8
257.08167	2.3
259.09570	0.7
269.08231	0.7
269.12781	0.7
269.15393	6.7
271.10440	0.9
271.13309	5.2
273.11798	0.7
273.14853	9.6
274.15216	0.9
283.09686	2.7
285.11243	1.3
297.12082	0.6
297.14917	10.9
298.14798	1.1
315.15918	100.0
316.08258	3.0
316.16116	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	315.1589
Annotation	Heliettin
Peak:m/z	Relative Intensity
55.01873	1.8
55.02103	0.4
55.05508	2.2
57.03416	1.3
57.07025	0.3
67.05479	1.4
68.99783	0.4
69.03421	0.6
69.07039	0.9
70.06564	0.8
71.04968	1.0
71.52275	0.5
72.00877	0.6
72.08148	0.6
73.63908	0.3
79.05468	1.3
81.03416	1.6
81.07079	1.6
83.04982	0.4
83.08614	0.4
84.92554	0.3
85.02911	1.7
85.06531	0.5
86.09704	0.6
91.05461	1.3
92.56706	0.3
93.07024	1.3
95.04969	0.6
95.08579	1.2
95.44292	0.3
103.36122	0.3
105.03384	0.6
105.07038	1.7
107.04915	1.2
107.08593	1.0
109.02879	3.5
109.06503	0.6
109.10159	0.9
115.05460	0.7
117.05299	0.4
117.07010	0.4
119.04935	0.8
119.08577	1.4
121.02851	0.6
121.06511	0.4
121.10101	0.7
123.08045	0.4
128.06200	0.8
129.06985	1.4
131.04857	1.0
131.08551	0.9
133.02829	0.8
133.06493	0.8
133.10089	0.7
135.04431	1.8
135.08063	0.8
135.11685	0.3
136.07520	0.5
137.09552	0.4
141.07016	0.9
142.07809	2.3
143.08574	2.5
145.06465	1.1
145.10085	1.1
147.04376	1.2
147.08044	0.7
149.02269	0.4
149.05893	0.5
151.03888	0.5
152.06134	0.4
155.08510	1.6
156.09358	0.7
157.06485	1.3
157.10144	4.1
159.04419	2.2
159.08061	1.5
161.05939	1.3
162.05553	2.2
163.07550	0.3
165.06981	0.6
167.08549	1.5
169.06442	0.4
169.10094	0.7
170.07265	0.6
170.10918	0.3
171.03111	0.4
171.04439	2.2
171.08057	4.5
171.11655	1.0
172.08809	2.3
173.05968	1.0
173.09619	2.2
174.05476	0.5
175.03928	0.4
175.07541	1.2
177.05493	0.6
178.05011	1.3
179.08551	1.1
181.10063	1.1
183.08087	1.2
183.11650	0.3
184.08841	1.0
185.05975	1.5
185.09601	10.0
185.13179	0.6
185.89156	0.3
186.10222	0.6
187.07573	1.4
188.44847	0.4
189.05556	0.4
189.09142	1.7
194.10893	1.4
195.02908	7.2
195.08063	2.5
195.11671	0.4
197.06038	0.9
197.09518	1.8
198.06740	2.2
198.10460	0.6
199.07544	1.6
199.11172	3.0
199.14815	1.0
200.08318	0.6
201.05434	0.8
201.09111	6.6
202.05070	0.4
203.07056	1.1
208.08928	0.4
209.09550	1.7
209.13264	1.2
211.07550	1.0
211.11189	1.1
212.08348	2.4
212.11919	1.2
213.09106	38.2
213.12645	3.0
214.09526	2.2
215.07011	0.7
215.10670	1.1
217.08629	1.1
222.10435	1.5
223.07578	0.7
223.14908	0.5
225.09122	3.1
225.12798	0.5
226.09891	0.8
227.10690	9.5
227.14262	13.0
228.10661	0.4
228.14702	0.5
229.08635	1.2
229.12323	0.5
230.04474	0.4
230.08136	0.5
231.10258	1.3
237.09135	0.5
237.12718	7.3
239.07004	0.4
239.10651	0.9
240.07712	0.5
240.11452	8.0
241.08519	1.0
241.12090	0.9
241.15858	0.5
242.09486	0.6
243.10190	1.5
244.06093	0.6
245.11668	2.0
247.09648	0.5
251.14392	1.7
253.12224	0.9
255.10277	5.7
255.13797	100.0
256.10422	0.4
256.11124	0.4
256.14166	5.2
257.08206	1.7
258.03989	0.8
269.15396	6.6
270.15710	0.4
271.09848	0.7
271.13278	2.3
273.11438	1.2
273.14832	9.2
273.17795	0.6
283.09558	2.2
285.11237	1.3
287.16507	0.4
297.11954	0.4
297.14877	10.8
298.14923	1.1
299.12711	0.5
300.13553	0.7
301.05771	0.6
315.12787	3.7
315.15903	96.5
316.08215	3.8
316.16187	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	315.1588
Annotation	(-)-(aS,9S,9'S)-Alnusdiol
Peak:m/z	Relative Intensity
53.49647	0.5
55.01862	1.3
55.05497	1.6
57.03434	0.6
69.77135	0.5
69.77721	2.1
81.07075	0.5
91.05491	0.7
93.07011	0.5
105.07020	1.0
119.08547	1.1
128.06177	1.0
129.07014	1.7
141.06949	0.6
142.07730	2.3
143.08543	3.5
145.06435	0.7
147.08047	0.7
155.08487	1.0
157.06470	1.7
157.10117	5.0
158.59731	0.5
159.04411	1.8
159.08005	0.6
161.05974	1.1
163.05690	0.5
165.06960	0.8
167.08530	1.6
168.09416	0.6
170.07228	0.7
171.04385	3.0
171.08003	3.4
171.11693	0.7
172.08839	2.7
173.06049	0.9
173.09572	1.9
175.07477	0.7
179.08516	1.2
181.10143	1.0
183.08025	1.5
184.08809	1.1
185.06006	0.6
185.09599	11.1
187.07509	1.6
189.05414	0.6
189.09157	1.5
193.09952	0.6
194.10846	1.5
195.08073	2.4
197.05988	0.9
197.09552	1.4
198.06709	2.7
198.10371	1.1
199.07536	1.8
199.11200	2.6
199.14766	1.2
200.08249	0.9
201.09119	5.2
203.06920	0.8
209.09659	1.7
209.13197	1.0
211.07495	0.9
211.11023	0.7
212.08313	2.6
212.11964	2.1
213.09105	39.3
213.12645	2.6
214.09502	1.2
217.08572	0.9
222.10452	1.4
225.09100	3.6
225.12682	0.7
227.10718	10.1
227.14264	13.9
228.14590	0.8
229.08598	0.6
229.12219	0.5
230.90059	0.7
237.12721	7.4
240.11414	8.5
241.12083	0.6
243.10193	1.2
245.11652	3.2
251.14284	1.5
255.10240	4.5
255.13799	100.0
256.14075	3.4
257.08060	2.1
261.11282	0.6
269.15305	5.1
273.11801	0.9
273.14868	7.9
285.11255	1.6
287.16476	0.6
297.14835	9.8
315.15897	85.7
316.16241	4.0
328.47696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1589
Annotation	(-)-(aS,9S,9'S)-Alnusdiol
Peak:m/z	Relative Intensity
54.07203	0.4
55.01867	2.1
55.05489	1.6
66.63202	0.4
67.05478	0.9
69.07046	0.8
69.70684	2.1
69.71109	0.8
77.16599	0.4
79.05470	1.2
81.03394	0.6
81.07034	0.6
91.05448	0.9
93.07021	0.9
95.08609	0.7
98.20809	0.5
100.91242	0.6
105.07016	1.4
107.04903	0.8
107.08563	0.6
108.23108	0.5
117.07001	0.7
119.04895	0.6
119.08556	1.2
128.06226	1.0
129.07036	2.3
131.04909	0.5
131.08527	1.1
133.10114	0.9
135.04390	0.8
142.07768	3.0
143.08539	2.7
145.06450	1.1
145.10086	1.0
147.04414	0.7
147.08014	0.8
152.06198	0.5
155.08507	1.5
156.09294	0.7
157.06471	1.4
157.10136	4.7
158.07292	0.6
159.04396	1.4
159.08057	0.5
161.05975	1.5
161.52017	0.5
167.08537	1.4
170.10785	0.5
171.04428	2.7
171.08046	4.9
171.11732	0.4
172.08795	2.1
173.06021	1.2
173.09601	2.0
175.07576	1.3
177.05438	0.5
179.08557	1.4
181.10133	1.3
183.08102	1.3
183.11674	0.6
184.08897	0.7
184.12384	0.5
185.06001	1.3
185.09625	13.3
186.10124	0.8
187.07527	1.0
187.11128	0.6
189.09027	2.2
194.10902	1.7
195.02959	0.7
195.08089	3.4
197.05984	1.4
197.09605	1.8
198.06755	2.9
198.10492	0.9
199.07500	1.6
199.11099	2.7
200.08311	0.8
201.05489	0.8
201.09103	8.2
203.06999	1.1
208.08897	0.6
209.09615	1.8
209.13136	1.1
211.07523	1.4
211.11197	0.9
212.08342	2.8
212.11882	2.5
213.09113	40.3
213.12666	2.1
214.09622	1.8
215.10681	1.4
217.08609	1.1
219.10030	0.8
222.10329	2.2
223.11153	0.5
225.09114	3.8
226.09834	1.3
227.10732	10.6
227.14270	14.4
229.08670	0.6
229.12280	1.9
231.10179	1.3
237.12750	8.3
240.11423	7.8
241.08493	0.7
241.12093	1.3
241.15854	0.9
242.09282	0.9
243.10185	7.5
245.11659	2.9
251.14343	1.3
255.10367	4.6
255.13806	100.0
256.14160	5.6
257.08142	1.2
269.15384	6.6
273.14844	26.4
274.15186	1.4
283.09763	0.8
285.11240	1.4
287.16483	1.4
297.14853	14.3
298.15353	0.6
315.15912	95.3
316.08176	0.9
316.16266	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	315.0859
Annotation	3'-Formyl-2',4',6',beta-tetrahydroxy-5'-methylchalcone
Peak:m/z	Relative Intensity
53.03910	0.8
55.01844	0.6
55.05464	0.9
57.03438	8.3
58.44293	0.2
64.23093	0.2
65.03915	0.5
67.05460	0.7
68.99789	1.2
69.03388	0.8
69.07044	0.5
70.06589	1.1
71.04977	0.5
71.17275	0.2
71.17590	0.4
79.05461	0.5
81.03419	4.4
81.07014	1.1
83.01320	0.6
83.04942	0.8
83.08580	0.3
84.08111	0.5
85.02903	23.0
86.09663	0.3
91.05470	1.1
93.07005	0.7
95.04935	0.7
95.08563	0.4
97.02892	1.3
99.04417	0.7
99.70137	0.2
105.07011	1.2
107.01293	1.3
107.04938	0.6
107.08582	0.6
108.06017	0.2
109.02160	0.4
109.02880	5.7
109.06486	0.4
109.10121	0.4
111.00803	1.3
111.04405	0.5
111.08044	0.3
115.05409	0.2
117.07025	0.4
119.04932	0.5
119.08579	0.5
121.02853	1.8
121.06461	0.5
123.04405	0.2
125.02354	4.4
125.09585	0.5
127.03942	1.3
129.06940	0.4
131.04889	0.7
131.08603	0.3
133.06453	0.3
133.10106	0.3
135.04364	0.5
135.07994	0.4
139.03836	0.5
142.07802	0.4
143.08516	0.7
145.10138	0.3
146.03584	0.4
147.04416	1.0
147.11604	0.3
149.02339	2.0
149.09634	0.3
151.03938	0.3
151.07445	0.3
152.06163	0.3
153.01831	2.5
153.09097	0.5
154.05023	0.4
157.06517	0.3
157.10127	0.8
159.04391	0.3
159.08066	0.4
159.11659	0.3
161.05930	1.0
165.06920	0.3
165.09206	0.2
167.03374	0.9
167.08548	0.6
171.01563	0.4
171.02928	3.8
171.04425	0.6
171.08038	0.6
172.08745	0.4
175.03929	0.7
177.01819	2.1
185.09622	1.7
187.11098	0.3
189.09061	0.4
191.07025	0.4
195.02888	100.0
196.03201	0.8
197.06001	0.3
199.11165	0.5
201.09102	0.9
205.06836	0.2
209.09625	0.5
209.50688	0.4
211.07568	0.4
212.08359	0.3
213.03929	4.8
213.05791	0.2
213.09081	5.6
213.12491	0.4
214.06354	0.3
222.10271	0.3
223.07518	0.4
225.05852	0.2
227.10709	1.1
227.14261	2.3
229.08694	0.3
231.06525	0.3
237.09087	0.3
237.12793	1.0
240.07877	0.4
240.11397	1.2
245.11674	0.4
251.07121	0.3
251.14038	0.3
254.06003	0.3
254.39517	0.3
255.10364	1.1
255.13794	13.9
269.15375	1.0
273.07617	0.9
273.14862	1.2
283.09583	1.9
287.05682	0.3
297.14935	1.5
301.05991	0.3
315.04932	0.2
315.08658	5.0
315.12784	1.0
315.15976	12.8
315.19595	1.1
316.08090	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.086
Annotation	3'-Formyl-2',4',6',beta-tetrahydroxy-5'-methylchalcone
Peak:m/z	Relative Intensity
53.03949	0.6
55.01877	0.5
57.03438	7.9
58.31713	0.2
67.05498	0.3
68.25905	0.2
68.99770	1.2
69.03437	0.2
71.05002	0.4
71.18227	0.3
79.05505	0.2
81.03413	3.7
81.07043	0.2
83.01341	0.5
85.02903	21.8
89.04595	0.2
91.05484	0.4
93.03395	0.3
93.07041	0.3
95.04980	0.4
97.02907	1.0
99.04435	0.6
105.03390	0.4
105.07017	0.3
107.01311	1.0
107.04944	0.4
107.08586	0.4
109.02879	4.7
111.00799	1.1
119.04962	0.4
119.08615	0.3
121.02849	1.6
121.06374	0.2
123.04459	0.2
125.02357	3.5
125.03274	0.2
127.03917	1.1
131.04922	0.3
135.00761	0.3
147.04437	0.9
149.02328	1.6
151.03810	0.3
153.01822	2.4
157.10078	0.2
161.05988	0.4
164.65189	0.2
167.03407	1.1
171.02884	3.4
173.09633	0.2
175.03920	0.4
177.01823	1.6
187.07558	0.2
195.02885	100.0
196.03250	1.6
201.09064	0.2
209.93216	0.2
213.03918	3.0
213.09013	0.8
223.07512	0.2
227.06949	0.2
227.14246	0.3
237.12740	0.2
251.14534	0.2
255.10173	0.3
255.13852	1.4
269.07996	0.2
269.15536	0.2
273.07605	0.8
283.09708	1.0
284.27026	0.2
297.07599	0.2
315.08585	3.9
315.12299	0.5
315.15894	1.3
315.19513	0.3
316.08578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.9
55.05511	11.0
56.01962	0.8
57.03156	1.3
57.03435	25.0
57.07074	68.5
59.04998	1.5
61.41546	1.0
63.73162	0.8
67.05502	13.4
69.07071	15.1
70.70795	2.0
70.71134	1.3
71.08237	2.1
71.08630	42.7
78.35659	0.9
79.05473	1.2
80.90804	1.0
81.07051	19.3
81.07525	1.2
83.08616	14.1
85.06556	1.5
85.10177	22.6
89.06017	3.2
91.05488	2.5
93.07040	3.0
95.08602	27.2
97.10159	7.3
99.11732	2.1
103.07581	2.7
107.08615	2.0
109.10151	12.6
111.11675	1.8
115.05400	1.1
116.33914	0.9
117.09077	1.1
119.08591	1.3
119.15813	1.0
121.10159	2.9
123.11678	4.6
123.98569	1.0
128.06212	1.2
131.04865	2.3
133.10107	1.4
135.11732	1.0
137.13277	1.6
147.04439	4.5
159.04442	2.9
161.13254	1.0
164.09631	0.9
171.04480	1.4
173.05963	1.1
175.03908	20.9
187.03934	10.7
198.06708	2.1
199.03802	4.5
199.07587	1.5
201.05455	2.2
203.03333	1.9
211.07491	1.0
213.05519	2.0
213.09158	1.1
215.07019	1.7
221.22571	1.3
226.06209	8.2
227.06920	1.0
228.07799	1.7
229.08633	4.6
239.07097	1.2
239.23753	5.8
239.25870	0.9
241.08589	21.1
241.11060	1.2
242.08670	1.2
243.10214	6.7
245.07898	1.5
246.96794	0.9
253.08530	2.2
257.24692	7.1
280.11157	0.9
295.13245	4.7
298.10880	1.2
313.14331	11.2
313.27396	100.0
314.14209	2.9
314.27737	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	313.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01861	0.6
55.05515	7.0
55.70615	0.7
59.04974	0.9
65.03924	2.6
67.05501	7.5
69.07071	9.6
70.56792	0.6
70.57165	2.1
71.04974	1.9
79.05491	3.2
81.07054	2.2
83.01331	1.4
83.08617	0.7
85.06516	1.5
91.05481	10.3
92.33989	0.7
93.07030	2.4
95.04906	0.7
95.08610	1.4
97.06493	0.9
97.19981	0.6
102.33934	0.5
103.05440	1.7
103.70979	0.6
105.07004	2.3
106.91250	0.6
107.05011	0.7
107.08602	1.1
109.10148	2.1
111.11726	1.0
115.05461	2.9
119.04950	4.0
119.08551	1.2
121.10152	4.6
128.06236	1.7
129.06990	2.9
131.04933	13.0
131.08559	1.8
133.06441	1.7
133.10104	2.0
139.11176	1.2
141.06978	1.9
142.07726	3.8
143.04941	1.2
143.08556	1.8
145.06479	1.4
147.04407	14.7
154.07782	1.0
155.08549	2.1
157.06464	1.3
157.10121	1.4
159.04436	10.4
159.07977	0.7
161.02344	2.2
161.06012	0.9
163.03912	6.2
165.07013	1.4
166.07709	0.7
166.99300	0.7
167.08585	1.7
169.06459	0.9
169.10136	1.1
170.07230	1.2
171.04422	4.8
171.07991	1.3
173.05977	2.4
173.09660	0.9
175.03911	87.8
176.04286	1.0
177.05602	0.7
179.08502	1.3
181.06412	0.8
184.08862	0.9
185.05992	2.9
185.09572	3.1
187.03909	51.3
187.07414	3.9
188.04288	0.8
189.05470	4.7
195.08058	5.0
197.05977	1.1
198.06738	6.4
199.03900	17.3
199.07515	5.9
200.08072	0.7
201.05469	3.7
201.09177	1.4
203.03406	7.2
203.07066	3.5
211.07509	2.2
213.05475	6.3
213.09026	3.6
213.16377	0.7
214.06123	1.0
215.07057	1.7
216.06342	0.8
217.05000	0.9
217.08563	2.1
223.07550	6.8
225.05243	0.9
225.09062	1.8
226.06238	39.4
227.07021	2.7
227.10536	1.0
228.07837	7.7
229.08597	21.1
230.08952	0.7
231.06458	1.1
239.06967	2.4
241.08591	100.0
242.08998	2.9
243.10164	28.2
244.10358	1.2
245.08109	1.6
247.09685	2.7
247.90070	0.7
253.08595	6.1
255.10146	2.8
257.08005	0.8
269.11731	1.9
269.15543	0.9
271.09604	3.2
283.13300	1.6
295.13263	21.5
296.13577	1.0
313.14337	27.0
313.21552	3.5
314.14545	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1433
Annotation	Diversin
Peak:m/z	Relative Intensity
51.02388	0.4
53.03949	0.9
54.37224	0.3
55.01864	0.7
55.05510	8.2
57.03434	0.4
57.07061	0.6
59.04988	1.1
65.03941	2.5
66.56026	0.4
67.05506	8.7
69.03411	0.4
69.07067	9.5
69.44943	3.0
71.04996	2.3
72.08143	0.4
73.06535	0.7
79.05502	3.2
81.03381	0.6
81.07058	3.4
83.01329	1.8
83.04993	0.5
83.08601	1.3
85.06553	2.4
91.05482	11.0
91.70732	0.3
93.07034	2.6
95.04952	1.2
95.08608	2.4
97.06489	0.6
103.05459	2.0
105.07021	1.9
107.04927	0.9
107.08578	1.8
107.95284	0.5
109.02850	0.4
109.10151	3.5
111.11710	1.3
115.05450	2.6
117.06979	1.0
119.04939	5.6
119.08574	0.7
120.08092	1.1
121.02875	1.0
121.10146	5.3
123.08023	0.8
123.11672	1.1
128.06223	2.3
129.07037	2.9
131.04932	15.1
131.08543	1.6
133.06458	1.0
133.10126	0.9
139.11153	1.4
141.06961	1.7
142.07773	2.7
143.04944	2.2
143.08606	2.0
145.06482	1.5
147.04408	18.2
151.03926	1.9
151.11150	0.5
152.06189	1.4
153.06970	0.8
154.07779	0.7
155.04901	0.9
155.08559	1.7
156.05667	0.5
157.06456	1.6
157.10135	2.2
159.04424	10.4
159.08035	1.4
161.02324	1.7
161.05989	0.7
161.09459	0.5
163.03925	5.9
165.06989	1.3
166.07719	0.7
167.08594	2.3
168.05724	0.5
169.06482	1.2
169.10065	1.0
170.07256	1.8
171.04410	4.9
171.08057	2.1
173.06001	2.5
173.09686	0.5
173.59993	0.5
175.03905	100.0
176.04271	2.2
177.05432	0.9
181.06471	0.9
182.07275	0.7
183.08051	1.2
184.05182	1.0
184.08778	0.7
185.05991	3.5
185.09593	2.8
187.03905	50.4
187.07426	4.1
188.04263	1.4
189.01862	0.5
189.05441	4.3
189.09111	0.7
195.08060	4.4
197.05974	1.8
197.09593	1.1
198.06746	6.1
199.03908	19.0
199.07542	5.5
200.04507	1.0
201.05453	5.3
201.09137	1.0
203.03394	6.8
203.07031	2.1
210.06721	0.7
211.07547	1.9
212.04689	1.4
213.05476	9.4
213.09004	3.9
214.06229	1.3
215.03413	0.7
215.07043	2.4
217.05051	0.6
217.08600	3.0
219.06444	1.1
223.07549	6.4
224.08139	0.6
225.05432	0.8
225.09096	1.9
226.06244	34.0
227.07027	5.2
228.07784	6.7
229.08592	22.7
230.08936	0.7
231.10167	0.9
239.07086	2.6
239.10698	0.6
241.08591	89.3
242.08977	2.8
243.10176	29.9
244.10431	0.9
245.08160	2.9
247.09662	1.8
253.08601	6.5
253.12317	0.4
255.10100	3.6
257.08032	1.0
257.11682	0.5
259.09692	0.5
267.10144	1.1
269.11786	1.2
269.15369	0.7
271.09586	3.1
280.10928	0.5
283.13284	0.9
295.13278	21.1
296.13684	0.8
313.07089	2.0
313.14325	26.7
314.14578	1.4
334.69559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1431
Annotation	Diversin
Peak:m/z	Relative Intensity
53.03938	0.8
54.67355	0.7
55.05517	7.1
57.07053	1.2
59.04985	0.8
60.98750	0.6
65.03929	2.9
67.05502	7.3
69.04392	0.7
69.07069	9.2
71.04977	1.9
79.05479	2.1
81.07047	2.1
83.01334	2.1
83.08603	0.7
85.06528	2.4
91.05479	9.6
93.07044	1.7
95.04942	0.9
95.08607	1.8
103.05494	1.4
105.07024	1.7
107.04942	1.1
107.08604	1.5
109.10151	2.4
111.11735	1.3
115.05439	3.1
117.07047	1.0
119.04943	4.7
121.10136	5.5
123.08138	1.0
128.06235	1.9
129.07018	1.9
131.04926	12.5
132.56642	0.7
133.06528	0.7
133.10091	1.0
139.11232	1.0
140.44279	0.8
141.06976	1.5
142.07767	2.8
143.04865	2.6
143.08545	1.3
145.06483	1.5
147.04399	16.3
152.06169	0.9
154.07817	1.1
155.08540	1.9
157.06441	1.1
157.10130	1.7
159.04428	9.9
159.08015	1.2
161.02373	1.7
163.03894	5.7
165.06973	1.5
166.07663	0.9
167.08585	1.5
169.06505	1.4
170.07231	1.1
171.04399	3.5
171.08051	1.1
173.06017	2.5
173.09612	0.7
175.03908	100.0
176.04344	1.3
177.05551	0.8
182.07243	0.8
183.08101	0.8
184.08875	0.6
185.05995	2.5
185.09593	3.1
187.03906	52.2
187.07413	3.7
188.04190	0.9
189.05479	4.6
195.08025	4.1
197.05981	2.4
198.06772	4.8
199.03902	14.9
199.07571	4.4
200.04543	1.1
201.05470	5.3
203.03391	5.8
203.07001	2.8
210.06764	0.6
211.07556	2.0
212.04591	0.9
213.05455	8.6
213.09012	4.2
215.07011	1.8
217.04913	0.9
217.08614	2.8
219.06540	1.1
223.07587	5.7
225.09105	2.1
226.06245	31.3
227.07025	3.9
228.07834	6.1
229.05142	0.9
229.08598	20.6
231.10043	1.0
239.06996	2.7
240.07664	0.9
241.08589	94.2
242.08888	1.7
243.10173	26.1
245.08087	2.7
247.09665	1.8
253.08553	4.9
255.10149	4.0
257.07910	1.0
259.09695	0.6
267.10315	0.7
269.11783	1.4
269.15375	1.2
271.09683	2.7
295.13272	20.0
296.13528	1.0
302.94284	0.7
313.14334	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	313.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	0.7
53.03946	0.9
55.01879	0.5
55.05510	7.1
55.31029	0.4
57.07072	0.7
59.04988	1.9
65.03938	2.7
67.05500	8.7
69.07064	8.9
69.67647	3.1
71.04993	2.1
72.51465	0.5
77.03958	0.7
77.37479	0.4
79.05474	2.9
81.07048	2.0
83.01337	1.7
83.04933	0.6
83.08609	0.7
84.32233	0.5
85.06537	2.0
85.08662	0.5
91.05478	10.2
93.07026	2.1
95.04967	0.7
95.08611	2.3
99.37746	0.6
103.05457	1.5
105.07015	2.1
107.04918	0.7
107.08583	0.8
109.10152	2.4
111.11711	0.9
115.05413	3.1
117.07022	1.0
119.04939	4.3
119.08601	0.6
121.10136	5.7
123.11622	0.5
128.06221	1.9
129.06987	2.4
131.04929	12.2
131.08565	1.2
133.02844	0.6
133.06483	1.1
133.10165	0.9
139.11119	0.7
141.06969	2.0
142.07777	2.3
142.08748	0.5
143.04904	1.8
143.08606	1.2
145.06500	1.1
147.03232	1.0
147.04399	17.8
151.03891	0.7
152.06155	1.2
152.59836	0.5
153.06967	1.0
154.07712	0.9
155.08533	2.2
157.06506	1.3
157.10106	2.5
159.04407	10.9
159.08023	1.4
161.02380	1.7
161.05920	0.6
163.03889	4.4
165.06978	1.7
166.07785	0.7
167.08557	2.7
167.97696	0.5
168.04311	0.7
169.06517	1.1
170.07298	1.1
171.04366	3.9
171.08011	1.6
171.73064	0.6
173.05946	2.3
175.03906	100.0
176.04237	2.3
179.08449	0.8
181.06456	1.0
182.07239	1.3
183.08017	1.8
185.06012	3.0
185.09622	3.0
187.03902	53.3
188.04292	0.8
189.05484	5.6
195.08029	3.5
197.05960	2.0
197.09558	0.9
198.06763	5.2
199.03900	15.2
199.07539	4.6
200.04425	0.7
201.05457	4.8
201.09093	1.0
203.03403	6.3
203.05063	0.8
203.06978	3.5
209.27931	0.6
211.07539	2.2
212.04730	1.9
213.05467	8.0
213.08946	2.9
213.40564	0.5
214.06239	0.6
215.07045	2.2
217.05017	0.9
217.08521	2.9
219.06552	1.6
223.07565	6.5
224.08247	0.6
225.05458	0.8
225.09079	1.9
226.06241	31.4
227.06937	5.2
228.07764	6.5
229.08589	20.7
231.06625	0.8
231.10074	1.3
237.09087	0.7
239.07025	1.9
241.08589	85.1
242.08972	3.5
243.10164	29.2
244.10484	1.3
245.08113	3.2
247.09596	2.5
253.08609	5.8
253.12233	1.0
255.10175	4.6
257.08234	1.0
267.10101	1.6
267.13538	0.6
269.11783	1.4
269.15268	1.0
271.09567	2.7
283.13388	1.2
295.13269	21.5
296.13568	0.8
313.10928	1.1
313.14331	22.7
314.14609	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.05513	5.1
58.90994	0.5
59.04979	1.0
65.03927	2.2
67.05502	7.1
69.07062	7.7
71.04982	2.4
71.18829	1.0
79.05476	2.4
81.07040	2.0
83.01337	1.5
83.08607	1.2
85.06528	1.9
91.05484	9.0
93.07043	1.8
95.08617	1.2
99.03854	0.6
103.05452	1.7
105.03397	0.9
105.07030	2.5
107.04978	0.7
107.08572	1.2
109.10170	3.2
111.11726	1.0
115.05474	2.6
117.06994	0.8
119.04935	3.5
119.08580	1.0
121.09380	0.8
121.10139	4.3
128.06224	1.9
129.07014	1.9
131.04034	0.9
131.04938	11.6
131.08620	0.8
132.25752	0.5
133.10135	1.1
139.11162	0.6
141.06960	1.4
142.07748	2.0
143.04933	1.5
143.08545	1.1
145.10193	0.6
147.04404	14.9
151.03842	1.1
152.06244	1.4
153.07019	0.9
155.08479	1.4
157.06471	0.9
157.10153	1.3
159.04408	9.2
159.08069	1.1
161.02336	0.9
163.03894	4.8
165.06972	1.2
167.08575	1.4
169.06464	0.8
169.10107	1.2
170.07266	1.0
171.04393	3.8
171.07961	1.3
173.06027	2.4
175.03905	100.0
176.04231	2.1
179.08487	0.7
181.06485	0.8
183.08043	1.3
184.05132	0.7
184.08722	0.7
185.06023	2.6
185.09598	2.1
187.03896	47.9
188.04216	1.1
189.05438	3.9
195.08080	3.9
197.09625	0.7
198.06754	3.8
199.03905	14.5
199.07562	4.8
200.04294	0.7
201.05464	6.1
201.09041	1.3
203.03368	7.4
203.06976	3.0
211.07530	1.6
212.04649	1.3
213.05457	6.3
213.09041	3.8
214.06248	0.8
215.03328	0.7
215.06989	1.6
217.05038	1.1
217.08546	2.9
219.06447	1.1
221.04401	0.6
223.07545	6.0
225.05446	1.1
225.09091	1.1
226.06232	25.4
227.06993	5.2
227.10654	0.7
228.07779	6.6
229.08588	18.3
230.08965	0.8
231.06444	0.9
237.09003	0.6
239.06955	2.5
241.08585	70.5
242.08965	2.0
243.10164	26.1
244.10495	0.7
245.08041	1.8
247.09616	1.7
253.08607	4.8
255.10152	3.6
257.08020	0.9
267.10178	1.3
269.11688	1.9
271.09796	2.7
271.13492	0.5
283.13251	1.0
295.13284	18.9
296.13599	0.6
313.14328	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1431
Annotation	Diversin
Peak:m/z	Relative Intensity
53.03927	1.6
54.40680	0.6
55.01872	1.4
55.05278	0.6
55.05515	11.8
57.03442	3.1
57.07074	12.3
59.03670	0.5
59.04986	1.1
65.03954	3.8
66.14206	0.6
67.05505	12.0
69.06726	1.2
69.07066	13.3
71.04979	2.7
71.08642	7.7
71.13583	1.0
73.06536	0.9
75.45272	0.6
79.05486	4.9
81.07045	4.9
83.01340	1.9
83.08615	2.8
85.06530	2.4
85.10162	4.3
91.05483	15.8
93.07033	3.4
95.08616	6.0
97.10150	1.4
103.05462	2.6
105.03419	0.8
105.07030	2.5
107.04963	1.0
107.08576	1.1
109.10157	3.9
111.11723	1.5
115.05455	4.9
117.07006	2.0
119.04945	7.3
121.02721	0.6
121.10132	4.9
123.11661	0.9
127.05401	0.7
128.06215	3.6
129.07027	3.7
131.04929	19.6
131.08551	1.9
133.06474	1.4
133.10130	0.8
139.11189	2.1
141.06995	2.1
142.07805	4.0
143.04919	4.3
143.08559	1.5
145.06487	2.8
147.04411	21.8
152.06177	2.4
154.07747	1.0
155.04814	0.8
155.08557	3.4
157.06456	1.5
157.10141	2.8
159.04419	14.0
159.05655	1.4
159.08066	2.0
161.02316	2.3
162.25323	0.8
163.03885	6.1
164.06329	0.7
165.07008	1.5
167.08580	2.9
169.06483	2.1
169.10109	1.5
170.07291	2.1
171.04422	7.7
171.08047	2.0
173.05966	3.5
175.03906	99.9
176.04221	1.5
177.05460	1.1
178.07811	0.9
179.08553	0.9
181.06445	1.0
182.07318	1.1
183.08076	1.6
184.05206	1.0
184.08855	1.0
185.05965	4.1
185.09581	3.1
187.03908	58.9
187.07448	4.4
188.04192	0.9
189.05464	6.2
195.08060	6.4
196.08739	0.7
197.05978	2.4
197.09650	0.7
198.06772	10.1
199.03902	17.5
199.07555	5.8
200.04544	0.8
201.05437	5.5
203.03371	7.4
203.07018	3.9
209.09651	0.8
210.06816	0.9
211.07526	2.2
211.11360	0.8
212.04689	1.8
212.08105	0.7
213.05502	9.6
213.09045	5.3
214.06375	0.6
215.07018	2.5
216.06627	0.8
217.05055	1.1
217.08539	1.9
219.06544	0.8
223.07533	7.9
225.09013	1.6
226.06245	47.0
227.06932	7.4
228.07817	7.0
229.08578	21.7
231.10211	0.8
237.08987	0.9
239.07004	3.2
241.08588	100.0
242.08920	2.5
243.10176	29.3
245.08083	3.5
247.09711	1.3
252.11185	0.8
253.08624	6.4
255.10162	4.4
257.08011	1.0
265.97488	0.8
267.10208	1.1
269.11752	1.9
269.15326	1.1
271.09656	3.0
283.13409	0.9
295.13260	25.8
296.13748	0.7
313.14340	32.1
313.27524	7.0
314.14178	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	313.1434
Annotation	Donatin
Peak:m/z	Relative Intensity
55.05513	11.5
57.03449	6.0
57.06834	1.4
57.07080	19.9
59.04987	4.8
61.45984	1.0
65.03941	1.8
67.05505	10.5
68.67339	1.0
69.03427	1.2
69.07063	11.2
69.83398	2.8
69.83796	2.1
71.04970	2.8
71.08630	13.6
74.36895	1.0
79.05489	2.8
81.07063	7.4
83.01336	1.1
83.08616	4.6
85.06523	3.1
85.10172	4.8
87.59619	0.9
91.05491	10.1
93.07012	2.5
95.08620	7.8
95.41701	1.0
97.06528	1.2
97.10162	3.7
98.20773	1.2
103.05451	2.5
103.07556	1.0
105.07029	2.0
107.08563	1.6
109.10166	5.7
111.11749	2.6
115.05458	3.3
117.06989	1.4
119.04928	4.4
119.08582	1.9
121.10152	6.7
123.11703	3.7
128.06242	2.3
129.07002	2.8
131.04935	15.8
133.06505	1.5
133.10141	1.4
139.11139	1.2
142.07762	2.9
143.04935	3.1
143.08510	1.5
145.06496	1.7
147.04411	15.1
153.06961	1.3
155.08553	2.2
157.06433	2.3
159.04428	12.5
161.02365	1.7
163.03908	4.2
165.07005	1.3
167.08553	1.5
169.06505	1.2
171.04440	3.7
171.08054	2.0
173.05984	3.0
175.03917	100.0
176.04248	2.3
182.07292	1.0
183.04311	1.3
183.08057	1.3
185.05968	3.9
185.09592	2.3
187.03911	56.8
187.07507	4.0
188.04178	1.7
189.05469	6.4
195.08035	4.4
197.05998	2.5
197.09592	1.2
198.06731	4.2
199.03897	19.0
199.07532	5.2
200.04640	1.6
201.05486	6.8
201.09180	1.1
203.03471	6.1
203.07065	3.0
211.07590	3.7
212.04655	3.5
213.05464	13.0
213.09056	4.3
214.06053	1.5
215.07048	3.6
217.08556	2.2
223.07591	5.2
225.09210	1.6
226.06264	21.2
227.07034	8.5
228.07782	6.1
229.08621	21.8
239.07040	3.3
241.08598	81.8
242.08981	2.2
243.10175	32.1
245.08148	12.8
247.09494	1.8
253.08580	6.5
255.10094	2.4
257.08133	1.3
257.24738	2.5
259.09680	1.4
263.93698	1.1
267.10178	1.3
269.11884	2.4
271.09698	2.2
283.13156	1.1
295.13339	19.6
313.14337	36.1
313.27466	29.7
330.66156	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1431
Annotation	Donatin
Peak:m/z	Relative Intensity
52.09097	0.8
53.67978	0.8
55.01858	1.0
55.05510	9.6
56.73090	0.8
57.07074	5.0
59.05001	9.1
61.45455	0.8
65.03924	2.1
67.05499	7.3
68.78017	0.7
69.06730	1.3
69.07072	17.6
69.38330	3.8
69.38758	3.2
71.05002	3.8
73.06535	1.2
79.05483	2.5
81.07031	3.0
83.01355	1.5
83.04988	1.0
83.08612	1.8
84.97179	0.9
85.06542	4.1
91.05478	10.1
93.07052	1.9
95.08584	2.0
97.06503	1.3
103.05476	2.1
105.07018	1.7
107.04999	0.9
107.08627	1.6
109.10165	1.6
111.11707	3.0
115.05472	5.0
117.07008	1.6
119.04922	3.9
119.08530	0.8
121.10114	4.7
127.11219	0.8
128.06227	3.5
129.07001	2.3
131.04921	17.8
133.06516	1.7
139.11180	1.1
141.06972	1.2
142.07732	2.2
143.04941	2.2
143.08534	1.6
145.06474	2.5
147.04398	17.2
152.06155	1.1
153.07030	1.0
155.08543	2.8
157.06490	1.5
157.10065	1.8
159.04413	20.3
159.08038	1.3
161.06021	1.0
163.03888	5.8
165.06926	1.6
167.08536	2.1
169.06464	2.1
169.10030	0.9
170.07265	1.9
171.04375	5.2
171.08031	2.3
173.05983	7.2
175.03903	100.0
176.04271	1.7
177.05443	1.7
179.08513	1.1
182.07225	1.3
183.04346	1.0
183.08066	2.5
184.08861	0.9
185.06046	5.5
185.09583	2.5
186.06808	0.9
187.03903	59.5
187.07475	5.2
188.04294	1.7
189.05495	7.5
195.08078	3.3
197.05978	2.9
197.09648	0.9
198.06723	4.5
199.03900	23.2
199.07529	7.5
200.04482	1.6
201.05461	14.6
201.09174	1.8
203.03419	4.0
203.07025	2.8
210.06781	1.0
211.07516	2.6
212.04738	5.3
212.08159	0.8
213.05473	17.3
213.09029	5.1
214.06192	2.3
215.07010	11.0
217.05234	1.0
217.08606	2.9
223.07521	3.7
225.05391	1.0
225.09093	2.4
226.06229	18.8
227.07030	11.3
228.07774	5.3
229.08586	26.0
230.08853	1.3
231.06448	1.1
231.10074	1.7
239.06860	4.7
240.07838	1.9
241.08572	73.6
242.08926	3.0
243.10165	39.4
244.10371	0.9
245.08084	25.7
247.09715	1.5
253.08623	8.7
255.10170	2.7
257.08112	2.2
259.09686	4.6
267.10178	1.2
267.13867	1.5
269.11737	4.5
271.09647	2.6
271.13281	0.9
294.72604	0.8
295.10117	1.5
295.13263	18.7
296.13730	1.1
313.14310	50.1
314.14645	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1433
Annotation	Donatin
Peak:m/z	Relative Intensity
55.05515	16.1
55.89781	1.5
57.07082	7.9
59.05009	19.8
65.03938	3.0
67.05514	7.3
69.07063	17.7
69.67715	7.4
69.68127	3.8
71.04995	3.9
73.06577	3.7
79.05491	4.4
81.07065	5.3
83.08636	2.3
85.06528	7.8
87.80968	1.7
91.05479	9.9
94.43668	1.6
95.08582	3.8
103.05486	3.5
105.07030	3.1
109.10147	2.2
115.05446	2.9
117.06970	2.2
119.04966	6.6
121.10144	3.0
123.11634	3.0
128.06236	6.5
129.07014	3.8
131.04933	20.2
139.05264	1.5
139.11192	2.7
141.06976	1.8
142.07790	3.3
143.04875	2.5
143.08566	3.5
145.06505	5.0
147.04422	19.1
154.07797	2.0
155.08527	5.7
157.91417	1.8
159.04437	24.4
163.03978	4.3
165.07112	2.6
167.08620	2.7
171.04361	7.6
171.08067	2.6
173.05989	7.7
175.03922	100.0
177.05498	3.4
183.08167	2.1
184.05217	2.4
185.06015	6.6
185.09732	2.0
187.03917	60.1
187.07553	4.6
189.05490	7.9
197.05949	2.2
198.06807	3.2
199.03908	26.3
199.07545	6.6
199.90956	2.0
201.05473	17.0
203.03416	4.6
203.06987	2.6
211.07561	4.5
212.04710	8.5
213.05487	29.2
213.09094	5.4
214.06084	1.8
215.07050	8.4
217.08568	3.7
223.07605	2.2
225.05386	2.1
225.09053	2.5
226.06241	11.3
227.07013	17.2
228.07869	3.5
229.06538	2.1
229.08633	30.0
239.07077	6.5
241.08603	54.1
243.10188	46.3
245.08139	26.8
247.09778	2.1
253.08661	6.2
255.10210	3.4
257.08051	2.1
259.09808	2.4
269.11807	2.9
271.09607	2.0
295.13156	9.1
313.14359	40.0
314.14783	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	313.1433
Annotation	Diversin
Peak:m/z	Relative Intensity
53.03927	1.4
55.05510	10.6
57.07070	8.1
59.04994	14.1
65.03931	1.9
67.05514	8.8
69.03421	1.2
69.07068	13.5
69.86478	3.9
69.86884	2.3
70.06597	1.3
71.04986	4.9
73.06560	2.1
79.05486	3.6
81.07065	6.7
83.08617	1.9
85.06552	5.8
89.33179	1.1
91.05482	12.0
93.07052	3.2
95.08601	4.0
97.06560	1.2
103.05459	2.2
104.12470	1.1
105.07018	3.1
107.04960	1.6
107.08606	2.6
109.10165	2.7
111.11708	2.5
115.05463	3.4
117.06986	2.5
119.04922	4.4
119.08580	1.6
121.10136	6.6
122.44140	1.2
123.11678	2.2
128.06221	4.3
129.06996	3.3
131.04933	16.3
131.08559	1.1
136.09573	1.5
141.06973	3.7
142.07773	2.7
143.08536	3.1
145.06477	2.8
145.10060	2.0
147.04398	16.7
154.07729	1.7
155.08600	4.1
157.10133	2.7
159.04416	15.8
159.11642	1.6
163.03897	7.4
165.06990	1.2
167.08546	1.9
171.04391	5.8
171.08052	2.6
173.05960	5.5
175.03906	100.0
176.04265	2.9
177.05542	2.6
183.07980	1.6
185.06021	3.8
185.09648	2.1
187.03905	56.1
187.07532	3.5
188.04205	2.9
189.05504	6.3
195.08058	2.3
197.06015	3.8
198.06761	2.9
199.03935	22.9
199.07529	5.1
199.11494	1.1
201.05467	9.3
201.09038	1.5
203.03455	3.2
203.07004	3.0
211.07587	2.9
212.04591	5.5
213.05486	16.3
213.09117	4.6
214.06255	2.3
215.07022	3.9
217.08525	3.0
223.07526	4.5
224.04565	1.1
225.05522	1.6
225.09084	2.2
226.06252	18.0
227.07018	12.3
228.07779	5.3
229.08600	24.6
229.10703	2.1
231.10236	1.5
239.07050	5.1
241.08578	70.2
242.09087	1.6
243.10173	35.8
243.12582	2.5
245.08078	15.0
247.09851	1.9
253.08539	5.8
255.10205	1.7
257.08063	2.4
259.09683	2.5
295.13281	15.7
313.10834	1.3
313.14307	26.7
313.17645	1.3
313.21555	3.4
314.14038	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	11.2
57.03429	5.7
57.07074	20.9
59.04978	2.0
65.03946	1.5
67.05506	11.3
69.07066	16.0
71.04977	3.4
71.08628	12.1
71.26668	3.0
74.41441	1.3
79.05486	5.9
81.07056	8.9
83.01340	2.1
83.08598	4.6
85.06541	3.2
85.10168	7.3
91.05476	11.0
93.07046	3.6
95.04928	2.3
95.08610	10.2
95.66701	1.4
97.10138	2.8
103.05428	1.9
105.07008	3.1
107.08591	2.3
109.10169	7.6
111.11689	2.7
112.17595	1.6
115.05460	5.7
119.04931	6.2
119.08598	3.0
121.10126	6.8
122.98696	1.6
123.11738	2.8
128.06238	2.7
129.06989	2.0
131.04933	14.5
131.08466	1.6
133.10144	2.6
141.06984	2.6
142.07785	2.7
143.04901	3.3
143.08655	1.5
147.04424	20.9
157.06461	1.5
157.10162	1.8
159.04410	14.0
159.08066	1.7
161.02319	2.5
163.03903	4.8
167.08559	3.1
170.07253	1.9
171.04411	4.5
173.05988	3.9
175.03908	100.0
184.08855	1.2
185.06030	4.0
187.03897	52.7
188.04300	1.7
189.01913	1.8
189.05461	5.8
195.08040	3.5
198.06750	4.5
199.03891	16.2
199.07478	3.9
201.05469	9.6
201.09166	1.5
203.03479	6.5
203.06973	2.3
211.07571	2.6
212.04704	3.4
213.05472	10.8
213.09134	3.7
214.06271	1.7
215.06998	3.6
217.08417	2.8
223.07420	6.7
225.09030	2.5
226.06245	30.5
226.08475	1.9
227.06973	6.2
228.07822	7.4
229.08607	22.9
239.07022	3.4
241.08598	87.0
242.09155	2.4
243.10147	31.0
245.08110	7.6
247.09564	1.9
253.08536	7.8
255.10147	2.2
257.24875	1.5
259.09512	2.2
267.10107	2.6
271.09631	2.7
295.13272	19.7
295.23938	1.4
302.18835	1.5
306.56671	1.3
312.36115	2.9
313.14340	32.0
313.27539	27.3
314.14078	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	313.1431
Annotation	Diversin
Peak:m/z	Relative Intensity
53.98685	0.7
55.01847	0.8
55.05519	9.2
57.07063	2.6
59.04998	5.8
65.03941	2.1
67.05495	7.0
69.07067	10.1
70.46431	1.3
71.04977	3.3
72.44894	0.8
79.05479	3.2
81.07059	2.9
83.01328	1.5
83.08596	0.9
85.06525	3.4
91.05477	9.5
93.07030	2.3
95.08570	1.6
97.06565	0.8
103.05466	2.3
104.37273	0.8
105.07024	2.0
107.04939	1.0
107.08564	1.2
108.01358	0.7
108.81943	0.7
109.10150	2.2
111.11678	1.6
112.12982	0.7
114.96977	0.8
115.05450	2.5
116.17570	0.7
117.07029	2.2
119.04939	4.9
121.10150	5.4
128.06230	3.3
129.07013	2.1
131.04930	15.1
131.08536	0.8
139.11183	0.9
141.06996	2.6
142.07785	2.1
143.04947	2.1
143.08533	1.8
145.06487	2.6
147.04408	16.7
152.06171	1.6
153.06989	0.9
154.07693	0.9
155.08545	2.2
157.06456	1.9
157.10146	1.8
159.04425	14.8
159.07932	0.9
161.02356	2.0
163.03922	5.8
165.07025	1.3
167.08542	2.5
169.06471	2.2
170.07166	1.8
171.04393	5.9
171.08009	1.3
173.05971	4.7
175.03911	100.0
176.04323	1.0
177.05447	1.4
179.08516	0.9
182.07164	1.2
183.08026	2.1
185.05949	3.7
185.09554	3.6
187.03915	53.7
187.07419	4.1
189.05417	5.4
195.08054	4.3
197.05981	2.4
198.06764	5.7
199.02057	1.5
199.03893	25.5
199.05751	1.6
199.07550	6.5
201.05476	8.6
203.03329	4.7
203.07007	3.1
211.07538	2.9
212.04712	4.0
212.08295	1.0
213.05460	13.8
213.08946	4.5
214.06203	1.4
215.07033	4.3
217.05006	0.8
217.08597	2.5
223.07556	5.3
225.09068	2.3
226.06248	30.8
227.07033	7.9
228.07788	7.3
229.08594	25.1
239.06996	5.4
241.08591	92.8
242.09042	2.6
243.10162	30.5
245.08096	9.0
247.09683	2.4
253.08626	7.9
255.10158	2.6
257.08139	1.9
259.09695	1.2
267.10120	1.2
269.11792	2.2
271.09622	3.5
271.13031	0.9
295.13281	20.5
296.13577	1.4
313.14337	32.1
314.14529	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0695
Annotation	5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.36502	0.2
53.03928	0.4
55.01862	0.3
55.05504	0.5
57.03417	0.4
57.07061	0.4
65.03941	1.0
67.01854	0.4
67.05492	0.6
68.99779	0.6
69.03406	0.6
69.07040	0.3
70.06572	0.6
71.07193	0.4
71.08627	0.2
71.67995	0.2
72.08155	0.3
79.05461	0.5
81.03421	1.6
81.07043	0.5
83.04990	0.2
84.08136	0.3
85.02895	1.3
86.09695	0.4
91.05470	0.9
93.03390	0.7
93.07037	0.5
95.04948	0.4
95.08581	0.5
97.02871	0.4
97.06500	0.2
105.03392	0.5
105.07026	0.3
107.04936	0.3
107.08587	0.4
109.02882	1.3
109.10155	0.5
110.07159	0.4
111.04422	0.5
113.88312	0.2
118.04180	0.3
119.04949	1.6
119.08504	0.2
120.08088	0.2
121.02861	7.2
121.10139	0.2
123.04391	0.3
123.08023	0.3
125.02347	0.4
125.05982	0.2
127.03908	0.4
128.21506	0.2
131.04890	0.2
131.08647	0.2
133.02838	0.4
133.10127	0.2
137.05951	0.2
138.03136	0.6
145.02834	1.8
145.10007	0.2
147.04433	0.3
149.02333	2.8
149.07451	0.3
150.02579	0.2
151.02765	0.2
151.03896	2.6
151.07529	0.3
153.01860	1.0
153.07034	0.2
155.08505	0.2
158.06003	0.2
163.03894	1.1
165.01822	0.7
165.07031	0.3
166.02597	0.5
167.01982	0.3
167.03397	5.8
173.05997	0.3
175.03847	0.3
177.01814	2.0
181.06487	0.2
183.02890	0.3
183.08066	0.3
184.03680	0.4
187.03882	0.4
190.01129	0.2
191.01421	0.2
195.02881	3.6
199.07513	0.2
207.06470	0.2
210.06723	0.2
211.07547	0.4
213.05482	0.5
215.07018	0.4
227.07062	0.5
228.07791	0.5
229.04967	2.0
239.07022	2.0
240.07379	0.2
241.08607	0.3
242.05721	1.0
243.06422	0.2
243.10146	0.2
247.05907	0.2
253.05086	0.2
253.12224	0.3
255.06519	1.5
256.07309	2.2
267.06516	11.4
268.06940	0.5
269.04349	0.5
270.05240	3.6
283.06003	9.3
284.06775	15.7
285.07401	1.8
295.05981	7.6
295.09396	0.2
313.07037	100.0
313.27478	0.4
314.07428	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
54.42887	0.3
55.01876	1.3
55.05508	0.4
55.85547	0.3
57.03430	1.3
58.82334	0.3
64.00335	0.3
65.03938	4.0
67.05498	2.0
69.03430	5.6
69.07080	0.9
69.61221	1.8
70.06585	1.0
71.01353	0.3
71.04996	0.8
72.08157	0.8
73.02911	0.3
79.05495	0.9
81.03416	13.3
81.07070	1.0
83.04961	0.6
84.08136	0.8
85.02901	6.1
85.03383	0.6
86.09673	0.5
91.05486	1.2
93.03396	2.3
93.07036	0.8
95.04958	1.4
95.08619	0.7
97.02905	1.8
98.21502	0.5
99.04437	1.4
105.03397	0.4
105.07018	0.6
107.08581	0.6
108.02097	1.4
109.02881	6.1
109.03604	0.5
109.10173	0.5
110.03656	1.0
111.04443	5.3
119.04900	0.8
121.02862	1.5
121.03995	0.3
121.10157	0.6
123.08074	0.4
123.11699	0.4
125.05991	3.6
126.40210	0.3
127.03877	1.6
129.06949	0.4
133.02925	0.3
133.10130	0.4
136.01553	0.6
139.18915	0.3
141.05441	2.6
141.07112	0.3
143.08562	0.4
147.04382	1.0
149.02353	0.9
149.09628	0.4
151.03900	100.0
151.04968	6.7
152.04271	1.0
157.06483	0.3
163.03883	0.4
165.01857	0.7
167.03378	1.0
169.04945	5.7
173.05942	0.4
175.03906	3.2
183.02917	0.3
187.03926	1.3
187.07434	0.5
189.05475	0.7
195.02849	0.6
199.03746	0.4
207.06483	1.0
223.04192	0.3
226.06151	0.4
227.06935	0.4
229.04846	0.5
229.08496	0.6
239.06995	0.6
241.08582	1.7
243.10135	0.7
255.06529	0.7
256.07333	0.6
267.06412	2.0
270.05249	0.7
283.06030	2.1
284.06784	3.1
295.08194	9.0
295.13425	0.8
313.07013	17.9
313.10538	0.9
313.14493	0.8
313.19910	0.4
313.27368	0.5
314.07123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
53.23246	1.8
55.01863	4.7
55.05499	5.3
56.05001	2.2
57.03440	8.2
60.04514	4.4
61.02928	8.0
67.05489	3.4
69.03432	22.3
69.07073	12.6
70.06258	2.3
70.06595	31.6
71.04980	5.2
71.06947	1.9
71.52003	2.9
72.08151	15.0
73.02912	4.0
74.06071	3.0
79.05481	3.2
80.04981	2.2
81.03423	10.5
81.07034	3.4
83.04974	2.1
84.04502	8.0
84.08140	18.7
85.02906	100.0
85.06535	1.9
86.09709	14.3
87.04436	3.4
87.05589	1.6
87.08105	11.8
88.03995	3.0
91.03951	7.4
91.05467	7.1
92.05775	2.1
93.07044	2.5
95.04955	3.1
97.02889	26.9
97.06483	2.3
99.04428	4.4
102.05544	1.9
105.03386	6.9
105.07041	3.3
106.03698	3.9
107.04936	1.9
108.08102	2.9
109.02914	11.4
110.06043	2.1
110.07161	10.6
110.09641	1.7
112.08715	1.7
114.05479	2.5
115.03909	3.1
116.07091	3.9
119.04937	3.3
119.08591	2.9
120.08097	7.0
121.08440	1.5
122.06011	3.6
123.08089	1.6
127.03919	22.1
129.10257	10.7
132.83473	1.4
133.08611	4.4
136.07571	4.6
137.05994	2.4
138.05479	5.0
145.04961	53.1
147.04387	5.4
147.06540	1.7
148.07513	3.1
150.05499	7.5
150.09097	2.2
151.03908	20.0
151.07451	1.6
152.07068	2.0
157.07629	4.4
163.05988	9.2
165.05351	2.8
170.11795	1.8
175.03883	6.3
178.08571	1.7
179.06799	2.5
179.11743	1.9
180.12109	4.7
184.56381	1.9
191.03291	2.0
192.10248	2.1
198.11351	2.0
206.11787	4.5
207.06473	3.0
210.05751	2.5
222.11172	2.3
224.12701	7.8
226.06252	2.3
240.68491	1.8
241.08560	2.4
243.10095	9.3
250.14351	3.8
255.10257	1.9
268.15536	10.1
271.13254	6.5
294.16953	2.4
296.10254	2.2
312.14584	2.3
312.18018	57.5
313.14288	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	312.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
53.23246	1.8
55.01863	4.7
55.05499	5.3
56.05001	2.2
57.03440	8.2
60.04514	4.4
61.02928	8.0
67.05489	3.4
69.03432	22.3
69.07073	12.6
70.06258	2.3
70.06595	31.6
71.04980	5.2
71.06947	1.9
71.52003	2.9
72.08151	15.0
73.02912	4.0
74.06071	3.0
79.05481	3.2
80.04981	2.2
81.03423	10.5
81.07034	3.4
83.04974	2.1
84.04502	8.0
84.08140	18.7
85.02906	100.0
85.06535	1.9
86.09709	14.3
87.04436	3.4
87.05589	1.6
87.08105	11.8
88.03995	3.0
91.03951	7.4
91.05467	7.1
92.05775	2.1
93.07044	2.5
95.04955	3.1
97.02889	26.9
97.06483	2.3
99.04428	4.4
102.05544	1.9
105.03386	6.9
105.07041	3.3
106.03698	3.9
107.04936	1.9
108.08102	2.9
109.02914	11.4
110.06043	2.1
110.07161	10.6
110.09641	1.7
112.08715	1.7
114.05479	2.5
115.03909	3.1
116.07091	3.9
119.04937	3.3
119.08591	2.9
120.08097	7.0
121.08440	1.5
122.06011	3.6
123.08089	1.6
127.03919	22.1
129.10257	10.7
132.83473	1.4
133.08611	4.4
136.07571	4.6
137.05994	2.4
138.05479	5.0
145.04961	53.1
147.04387	5.4
147.06540	1.7
148.07513	3.1
150.05499	7.5
150.09097	2.2
151.03908	20.0
151.07451	1.6
152.07068	2.0
157.07629	4.4
163.05988	9.2
165.05351	2.8
170.11795	1.8
175.03883	6.3
178.08571	1.7
179.06799	2.5
179.11743	1.9
180.12109	4.7
184.56381	1.9
191.03291	2.0
192.10248	2.1
198.11351	2.0
206.11787	4.5
207.06473	3.0
210.05751	2.5
222.11172	2.3
224.12701	7.8
226.06252	2.3
240.68491	1.8
241.08560	2.4
243.10095	9.3
250.14351	3.8
255.10257	1.9
268.15536	10.1
271.13254	6.5
294.16953	2.4
296.10254	2.2
312.14584	2.3
312.18018	57.5
313.14288	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	312.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.5
55.01861	7.7
55.05527	1.8
55.45484	1.9
56.96565	2.9
57.03423	7.9
61.02922	8.2
65.80586	2.1
68.99781	2.7
69.03431	36.0
69.07045	4.0
70.06205	2.3
70.06591	36.6
71.03979	5.1
71.04977	4.6
72.08157	10.9
73.02914	7.1
81.03417	21.9
84.04506	4.0
84.08128	6.1
85.02902	100.0
86.09710	3.2
87.00319	2.7
87.00827	47.2
87.04436	1.9
88.25242	2.0
91.05473	2.7
95.04980	2.8
97.02891	43.3
98.97519	2.4
99.04462	9.4
105.01859	88.9
105.03364	3.7
108.04461	3.7
109.02872	25.1
110.07165	8.7
115.03872	2.5
116.07054	5.7
117.01843	4.3
120.08059	3.4
121.02856	10.1
126.05532	2.9
127.03909	76.0
129.01852	2.1
129.10178	3.5
136.07591	2.8
140.06981	2.7
145.04971	40.6
147.04401	2.5
151.03909	3.7
159.02888	13.5
169.13321	5.0
175.03952	5.1
180.08788	2.0
181.66663	2.0
189.03946	4.1
197.12796	8.4
213.12360	11.8
231.05032	23.4
249.06070	5.4
294.09741	2.2
312.11267	5.0
312.18594	2.1
323.04434	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01867	2.5
55.05512	59.7
56.05865	0.9
57.03155	1.6
57.03438	25.8
57.07076	28.6
59.05006	0.7
61.89865	0.6
66.90395	0.8
67.05505	8.5
67.57814	0.7
69.07069	62.8
69.79343	4.5
70.07423	0.7
71.04996	0.8
71.08633	17.6
72.39631	0.7
73.02922	1.7
75.04481	1.0
79.05494	5.1
81.07053	10.7
83.04977	1.8
83.08618	57.4
84.08929	0.8
85.10188	7.0
91.05471	0.8
93.07040	8.3
95.08614	8.5
97.06537	4.7
97.10169	38.4
99.13805	0.8
107.08613	4.8
107.09212	0.7
109.10154	3.3
111.08084	2.7
111.11724	12.1
121.10154	6.4
123.11723	2.3
125.09618	1.6
125.13245	2.4
135.11679	6.1
137.13280	1.0
139.11194	1.9
149.13255	3.2
153.12715	1.2
163.14850	1.6
176.12666	0.7
209.11739	0.7
219.21132	1.8
237.22234	1.3
311.25806	100.0
312.26135	6.4
322.48227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.41734	0.9
52.75716	0.9
53.03942	1.4
55.01861	2.8
55.05515	63.3
57.03442	26.5
57.07082	27.7
67.05505	10.4
69.07074	63.1
69.43343	8.1
70.07386	1.1
71.08639	17.5
73.02921	1.7
78.15379	0.9
79.05507	5.3
81.07068	12.6
83.04958	1.2
83.08626	55.9
84.08942	1.1
85.10187	6.8
93.07051	6.5
95.08607	9.2
97.06532	6.1
97.09550	1.9
97.10176	34.9
107.08591	4.3
109.10191	4.4
111.08045	2.0
111.11710	11.5
112.22308	1.0
113.09687	0.9
121.10136	7.0
123.11697	2.0
125.09644	1.7
125.13293	2.5
135.11732	6.7
139.11191	1.5
149.13237	2.5
153.12782	1.2
163.14821	1.3
219.21211	2.0
311.25821	100.0
312.26230	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	311.2579
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03928	2.4
55.01878	12.5
55.05510	76.9
57.03431	8.7
57.07068	11.8
59.04980	2.4
60.44871	1.8
61.39969	1.9
64.98134	1.7
65.03934	2.8
67.05503	89.5
69.03421	7.8
69.07068	71.9
69.92357	1.7
70.78155	2.6
70.78495	3.1
71.04984	6.8
71.08620	6.0
78.00342	1.8
79.05489	46.1
81.07053	100.0
81.44636	1.9
83.04977	12.8
83.08614	52.7
85.06551	9.7
91.05476	16.0
93.07040	40.7
95.04961	4.6
95.08604	76.9
97.06530	15.2
97.10162	63.5
99.08091	5.7
105.07044	10.4
107.08589	55.1
109.06529	4.6
109.10155	55.3
111.04451	2.7
111.08083	7.9
111.11710	7.3
117.07024	4.2
119.08568	8.3
121.10109	17.8
123.11707	24.1
125.09618	43.0
127.11179	2.3
131.08554	7.7
133.10126	10.0
135.04420	7.5
135.08089	11.9
135.11688	40.0
137.09630	4.4
137.13232	12.5
145.10121	6.4
147.11667	9.0
149.13264	9.4
151.11229	2.3
151.14880	5.4
153.09094	8.2
153.12740	11.9
155.10667	3.4
157.12247	3.9
159.11717	5.7
161.09651	12.7
161.13219	8.4
163.14714	3.6
163.36359	2.2
165.12726	3.4
167.10681	2.2
171.10201	4.0
171.11679	2.9
173.11707	6.0
173.13284	7.3
175.11098	2.3
175.14890	2.7
177.16307	3.5
181.12340	3.4
187.14845	4.5
193.15852	3.4
195.13893	2.9
201.16452	2.2
202.77519	2.0
203.10948	3.1
203.12727	17.7
209.11716	10.6
209.15308	3.4
223.16924	4.3
233.22632	4.0
237.11177	13.1
239.07263	1.9
243.21094	9.3
251.23689	3.2
261.22083	32.7
279.23169	82.4
280.23578	4.3
293.24637	6.2
311.13049	3.2
311.16409	10.4
311.19873	1.9
311.25854	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	311.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01869	2.2
55.05513	56.1
56.05838	0.9
57.03440	24.4
57.06798	1.3
57.07076	26.7
67.05502	8.2
69.07070	64.9
71.04979	0.8
71.08636	17.1
71.56155	0.7
73.02901	1.1
75.13733	0.8
75.20033	0.7
79.05499	5.3
81.07053	11.9
83.05007	1.3
83.08620	52.2
84.08955	1.0
85.06534	1.4
85.10193	6.0
91.05480	0.9
93.07049	8.7
95.08600	7.3
97.06535	6.0
97.10172	40.6
98.10522	1.0
105.07087	1.1
107.08604	5.3
109.10137	3.6
111.08066	3.8
111.11721	13.0
121.10139	8.0
123.11708	2.5
125.09634	2.3
125.13281	3.6
130.57603	0.8
135.11682	4.4
137.13277	1.5
139.11160	1.3
149.13269	2.5
163.14876	1.6
177.16405	0.9
209.11710	1.0
219.21095	2.6
236.30568	0.9
237.11305	0.9
237.22108	1.7
311.25827	100.0
312.26181	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	311.2217
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.03949	3.2
55.01877	5.6
55.05510	27.4
57.03433	14.8
57.07077	23.8
65.03938	2.8
67.05504	38.7
69.03435	3.6
69.07068	40.8
70.06601	5.0
71.04987	13.4
74.37051	2.5
79.05489	43.1
81.03439	3.3
81.07051	53.1
81.62022	2.7
82.19021	2.5
83.04985	13.5
83.08607	11.2
85.06548	4.8
91.05477	23.5
93.07047	46.1
95.04976	7.9
95.08607	36.3
97.06553	17.3
97.10149	16.9
101.02390	2.8
101.51395	2.8
105.07047	28.9
107.04951	4.1
107.08586	28.2
109.06509	9.0
109.10160	21.8
111.04462	6.8
111.08082	15.0
111.11686	3.0
117.07017	6.6
119.08576	21.6
121.10152	34.9
122.09644	3.4
123.08082	4.8
123.10020	2.9
123.11684	4.4
125.09608	9.4
129.06989	7.8
131.08582	20.2
133.10159	15.5
135.08037	5.3
135.11739	7.7
137.09637	4.0
139.11194	22.9
143.08598	8.1
145.10100	16.1
147.11681	8.0
149.09619	9.7
153.05496	6.6
159.11693	6.2
161.09683	3.3
161.13304	6.9
163.11224	4.1
167.10719	3.0
171.11725	6.8
173.13261	6.7
175.03888	25.5
181.05029	3.0
185.13292	9.2
187.14874	5.2
189.05516	3.6
189.11209	5.4
189.12785	4.3
191.10736	7.5
193.04987	7.1
197.13222	3.1
203.12799	22.3
203.14230	4.4
209.11722	39.6
214.08818	4.0
219.17490	5.5
221.15344	4.5
223.16934	4.9
229.17783	4.9
231.06583	5.2
237.11174	32.9
239.07033	16.8
241.08574	4.2
249.26833	2.9
255.12267	6.2
257.18988	7.2
275.20038	51.0
293.11804	6.8
293.18161	3.0
293.21185	17.3
311.12619	18.0
311.25632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01877	5.6
55.05510	27.4
57.03433	14.8
57.07077	23.8
65.03938	2.8
67.05504	38.7
69.03435	3.6
69.07068	40.8
70.06601	5.0
71.04987	13.4
74.37051	2.5
79.05489	43.1
81.03439	3.3
81.07051	53.1
81.62022	2.7
82.19021	2.5
83.04985	13.5
83.08607	11.2
85.06548	4.8
91.05477	23.5
93.07047	46.1
95.04976	7.9
95.08607	36.3
97.06553	17.3
97.10149	16.9
101.02390	2.8
101.51395	2.8
105.07047	28.9
107.04951	4.1
107.08586	28.2
109.06509	9.0
109.10160	21.8
111.04462	6.8
111.08082	15.0
111.11686	3.0
117.07017	6.6
119.08576	21.6
121.10152	34.9
122.09644	3.4
123.08082	4.8
123.10020	2.9
123.11684	4.4
125.09608	9.4
129.06989	7.8
131.08582	20.2
133.10159	15.5
135.08037	5.3
135.11739	7.7
137.09637	4.0
139.11194	22.9
143.08598	8.1
145.10100	16.1
147.11681	8.0
149.09619	9.7
153.05496	6.6
159.11693	6.2
161.09683	3.3
161.13304	6.9
163.11224	4.1
167.10719	3.0
171.11725	6.8
173.13261	6.7
175.03888	25.5
181.05029	3.0
185.13292	9.2
187.14874	5.2
189.05516	3.6
189.11209	5.4
189.12785	4.3
191.10736	7.5
193.04987	7.1
197.13222	3.1
203.12799	22.3
203.14230	4.4
209.11722	39.6
214.08818	4.0
219.17490	5.5
221.15344	4.5
223.16934	4.9
229.17783	4.9
231.06583	5.2
237.11174	32.9
239.07033	16.8
241.08574	4.2
249.26833	2.9
255.12267	6.2
257.18988	7.2
275.20038	51.0
293.11804	6.8
293.18161	3.0
293.21185	17.3
311.12619	18.0
311.25632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
51.82796	0.6
55.01862	1.5
55.05515	12.3
57.03420	0.8
57.07064	1.9
59.04995	0.8
59.27041	0.6
67.05499	5.2
69.03432	1.5
69.07044	2.6
71.08636	10.2
71.18501	1.2
76.03961	0.6
78.14429	0.7
79.05484	5.0
81.07043	5.2
83.04986	0.9
83.08625	5.5
91.05453	1.7
93.07033	3.3
95.04990	2.9
95.08614	3.2
97.10162	10.2
98.41622	0.6
99.08099	6.0
105.07020	1.7
107.04952	1.9
107.08560	3.6
108.05734	1.7
109.06487	1.2
109.10143	2.2
110.16145	0.6
111.04440	1.2
111.08089	1.0
113.37430	0.6
121.06513	4.6
121.10177	1.4
123.07972	0.6
125.05936	0.7
125.09618	6.9
126.66529	0.6
131.08582	1.1
133.10120	1.4
135.08041	1.7
145.10130	1.1
151.11128	0.9
157.10118	0.7
165.12753	1.1
167.10770	0.7
177.12730	2.9
189.11182	4.0
190.24768	0.6
191.34276	0.7
209.11742	3.9
237.11259	4.4
239.06873	1.5
241.08731	0.9
275.20029	4.9
276.40402	0.7
293.21100	100.0
294.21396	2.9
311.12646	1.9
311.23734	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01876	35.3
55.05513	70.4
57.03427	23.0
57.07083	39.6
59.05010	6.2
66.92165	4.7
67.05183	7.8
67.05511	95.6
67.32487	4.2
69.03437	12.0
69.07078	77.2
71.04992	14.7
71.08621	21.1
79.05501	53.6
81.03418	15.1
81.07061	100.0
83.04978	19.8
83.08626	56.4
85.02913	6.8
85.06523	12.7
85.10167	11.9
91.05491	45.8
92.05875	5.4
93.07047	67.2
95.04988	30.1
95.08605	68.4
97.02872	6.7
97.06530	15.5
97.10188	31.4
98.20742	14.8
99.08099	9.7
105.07038	44.3
107.04952	20.5
107.08610	53.4
109.06534	14.8
109.10162	47.8
111.04460	23.4
111.08028	5.5
113.09604	5.7
117.07008	16.3
117.13912	4.7
119.08585	26.2
121.06534	10.2
121.10151	38.4
122.60552	5.2
123.08072	16.5
123.11746	9.3
124.56366	5.0
125.05990	9.2
125.09621	29.7
129.07021	6.8
131.08554	23.3
133.10124	46.9
135.04410	69.0
135.08035	8.3
135.11687	24.1
136.87883	5.8
137.09618	15.9
137.13239	5.6
139.11214	9.5
141.09149	7.2
143.08553	10.2
145.10144	23.2
147.11710	15.3
149.09628	16.4
149.13242	13.8
151.11128	26.7
153.05496	5.9
155.08565	7.5
157.10118	8.7
159.08174	5.8
159.11664	15.5
161.09615	26.0
161.13318	8.6
163.11198	18.2
165.09216	5.3
167.10587	6.0
169.10214	7.6
173.13300	14.1
177.12727	15.1
181.12241	14.3
183.11671	5.5
187.11157	8.6
191.10684	7.6
197.13213	5.5
199.14911	6.2
200.33727	5.4
209.11687	53.4
225.16412	5.7
237.11235	40.9
239.07057	19.3
239.18027	7.8
247.20593	10.0
255.12390	8.8
257.19012	17.7
275.20114	68.6
293.21103	81.1
311.09283	6.8
311.12778	18.0
311.19876	12.6
311.26288	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.9
53.03953	5.7
53.16217	0.8
54.51193	0.7
55.01867	2.3
55.05514	3.6
56.88436	0.7
57.03430	4.9
59.04992	0.8
61.02931	0.9
61.82956	0.9
63.12733	0.7
67.05508	3.3
69.03432	26.4
69.07059	0.9
69.46783	4.6
69.47190	1.5
71.04996	1.9
71.54263	0.8
73.02924	2.1
75.04475	1.8
77.66814	0.7
79.05495	28.9
81.03418	29.6
81.07052	5.8
85.02907	14.2
87.04476	2.2
91.05483	22.8
93.07045	100.0
94.07379	1.6
95.04977	7.3
95.08614	2.7
97.02895	8.4
98.20721	0.8
99.04459	4.4
103.05459	1.5
105.03390	27.3
105.07030	14.5
107.05008	1.3
107.08591	19.1
109.02882	12.0
109.06551	1.5
109.10167	1.0
111.08096	1.8
115.05456	1.2
116.06247	2.1
117.07056	1.7
119.04911	1.1
119.08582	15.9
121.06561	3.8
121.10144	91.7
123.08067	2.6
123.11745	1.3
127.03917	6.1
129.07034	1.9
130.06520	5.1
131.08562	11.8
133.10121	3.2
137.05971	3.6
139.11194	2.0
143.08598	0.9
145.04991	1.4
145.10165	2.0
147.08002	1.5
148.07541	5.5
149.09622	33.7
150.09987	1.2
158.06021	12.3
159.11581	0.9
167.10701	6.7
175.03928	1.6
207.06564	1.0
213.07549	1.0
219.08157	2.2
221.60197	0.9
251.10637	2.3
279.10245	2.7
283.15347	1.0
293.13873	10.9
311.12396	1.4
311.15311	2.1
311.23975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
57.03418	0.8
63.78230	0.4
67.05504	0.6
69.03424	2.1
69.07059	0.7
70.06585	0.4
71.53712	0.5
77.03916	0.5
79.05487	2.7
81.03409	3.1
81.07043	1.1
85.02893	1.4
91.05476	2.9
93.07047	8.4
95.04966	3.1
95.08601	0.8
96.05310	0.4
97.02878	0.8
103.05444	0.8
105.03391	100.0
105.07024	1.7
106.03732	1.7
107.08594	2.2
108.82709	0.4
109.02863	1.5
109.06554	0.6
109.10165	0.8
115.05459	0.5
119.08578	2.0
121.10141	8.3
122.03603	0.4
123.11719	0.4
130.06528	15.8
131.08551	1.1
132.04434	0.5
133.10178	0.5
137.05966	1.4
137.90454	0.4
140.28505	0.5
148.07570	18.7
149.02380	0.4
149.09633	5.2
157.10239	0.4
158.06015	37.7
159.06345	1.1
167.10718	1.0
171.09225	1.7
187.07640	0.5
189.10249	1.1
191.08614	0.7
219.08206	0.7
231.39603	0.4
251.10646	0.8
279.10272	1.3
293.12903	3.6
311.13071	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1277
Annotation	Porphyrin
Peak:m/z	Relative Intensity
53.03928	2.2
55.01858	2.8
55.05498	2.7
57.73052	0.8
59.04990	0.9
67.05491	3.6
69.03413	3.2
69.07056	3.3
70.06600	1.0
71.02297	2.1
71.04979	1.0
79.05499	8.1
81.03389	4.6
81.07059	7.8
82.07382	0.8
83.04974	1.0
83.08636	1.0
84.08112	1.2
85.02879	2.1
85.06545	1.4
91.05483	8.8
93.07034	9.9
94.04189	5.1
95.04955	2.4
95.08597	3.8
97.02880	2.0
98.16494	0.9
99.04449	1.0
103.05454	2.2
105.03397	2.1
105.07044	9.8
107.04948	2.6
107.08570	4.1
109.02880	1.5
109.06507	5.4
109.10148	2.6
115.05444	2.9
116.06220	1.2
119.04984	1.6
119.08554	3.6
120.04380	0.9
121.06508	3.2
121.10137	9.7
122.03645	11.5
123.04443	1.1
123.08043	1.5
127.03981	1.4
128.06224	2.9
129.07014	4.6
131.04926	1.8
131.08556	3.0
133.06470	7.1
133.10118	1.9
137.05978	100.0
138.06357	1.4
141.07008	0.9
144.05692	4.0
145.06471	2.7
145.10179	1.5
147.04405	1.3
147.07996	1.2
149.06012	6.6
149.09628	8.2
151.07581	1.5
153.06943	1.0
155.04919	8.6
155.06078	1.3
156.05666	1.6
159.08055	7.1
161.05988	14.4
165.06982	3.6
167.07043	1.3
167.10614	1.1
171.04364	1.1
172.05217	2.6
175.03900	3.7
175.07512	4.1
178.07782	1.3
179.08546	2.4
180.09270	1.5
181.06490	1.3
187.03981	1.0
187.07552	28.4
188.07996	1.3
189.06989	6.2
189.08525	1.0
190.07770	26.9
191.08557	58.3
192.08890	1.8
194.07274	1.4
195.08095	1.2
197.15425	1.5
201.07021	1.5
202.07751	3.5
203.08575	2.2
205.06538	3.4
207.08124	5.7
208.08803	6.3
209.09387	1.2
217.06477	1.5
218.07269	13.4
219.08054	65.1
220.08714	6.9
221.06030	3.3
221.09692	1.1
225.09045	1.9
229.07617	1.7
231.08041	1.0
233.09669	1.7
235.07513	8.6
236.08318	15.3
237.09065	4.2
246.06731	2.2
247.07542	25.6
248.08377	4.3
249.09120	2.3
251.10675	95.2
252.11023	4.6
253.08623	6.0
261.09085	3.8
263.07101	2.4
264.07764	9.4
265.08585	4.1
267.10306	1.7
279.10165	66.0
280.10635	7.3
281.08087	9.6
283.13223	2.5
293.13800	2.0
295.09708	1.1
296.10394	10.1
311.12772	63.3
312.13120	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	310.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
53.03945	3.7
55.01852	0.5
55.05504	0.7
67.05492	0.6
69.07072	12.9
71.07523	0.9
72.57835	0.4
77.03922	0.6
79.05493	0.8
81.03399	0.4
81.07063	0.9
83.04954	0.7
84.05297	0.5
91.05489	3.9
93.07049	5.3
95.04967	5.6
95.08586	0.6
103.05461	4.3
105.03394	100.0
105.07014	1.2
106.03773	1.0
111.52737	0.5
119.08564	0.5
121.06506	52.0
121.18335	0.4
122.06047	1.2
122.06799	0.5
133.06509	1.5
141.94708	0.4
147.08034	0.9
148.07578	0.6
161.09647	3.9
189.12756	18.6
190.13127	0.5
212.30952	0.5
225.09140	1.0
242.11761	25.5
243.12181	0.7
292.19833	1.3
293.21051	0.8
310.10974	0.7
310.14749	0.7
310.18002	3.4
310.25171	2.1
311.12643	0.6
329.13995	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2525
Annotation	Holaromine
Peak:m/z	Relative Intensity
53.03949	0.3
55.05515	2.1
57.07059	0.8
65.03938	0.3
66.60093	0.3
67.05511	2.7
68.41525	0.3
69.07056	1.8
69.75901	1.9
70.06596	6.4
79.05499	5.0
80.05011	0.5
81.07055	4.4
83.07342	1.5
83.08595	0.5
84.08123	0.5
84.44058	0.3
88.91700	0.3
91.05487	5.3
93.07045	5.6
94.06608	0.7
95.04974	0.7
95.08631	1.6
96.08130	3.2
97.10162	0.3
105.07031	6.6
107.08589	2.7
108.08105	0.9
109.08899	0.5
110.09640	0.5
111.04435	0.4
115.05442	0.5
117.07005	2.9
118.06509	0.6
119.08582	5.8
120.08082	1.1
121.08898	0.4
121.10119	0.9
122.09676	5.8
123.08054	0.3
124.11213	0.5
128.06207	0.7
129.07016	6.1
130.07779	0.9
131.08571	6.6
132.08104	0.6
133.08926	0.5
133.10123	2.3
134.05981	0.6
134.09647	0.9
135.11617	0.3
136.11238	1.8
137.11987	2.4
138.06392	0.4
139.06480	0.4
141.06978	0.9
142.07805	1.0
143.08546	5.0
144.08240	0.3
144.09357	1.2
145.10129	4.6
146.09619	2.6
147.11719	0.8
148.11217	1.4
149.13194	0.8
150.12772	1.0
153.86252	0.3
155.08525	1.0
156.09389	0.4
157.08881	0.7
157.10115	5.1
158.09631	1.4
158.10889	0.7
159.10472	0.5
159.11688	1.2
160.11212	1.8
161.12108	0.4
161.13252	1.7
162.12785	1.0
169.10201	0.9
170.09622	0.6
170.10919	0.4
171.10435	0.6
171.11696	2.2
172.11183	1.3
172.12500	0.6
173.11815	0.5
173.13258	6.2
174.12791	3.9
175.14775	0.8
176.67242	0.3
181.10083	0.3
183.11707	0.9
184.11240	1.1
185.11899	0.7
185.13278	1.1
186.12793	6.8
187.13504	0.6
188.14325	1.8
190.15909	0.8
196.11168	0.6
198.12645	1.6
199.15009	1.6
200.14352	1.2
209.11693	1.8
210.12665	0.5
211.13524	0.4
212.14375	3.3
213.15015	0.4
214.15907	0.6
224.14365	1.9
225.15099	0.5
226.15904	3.7
227.18011	0.9
228.17502	2.3
237.11237	0.9
238.15887	2.1
239.07030	0.7
240.08041	0.4
240.17473	4.9
241.17935	1.5
242.19193	0.4
252.17514	3.0
254.19073	3.0
255.19769	0.4
266.19003	1.7
278.19278	0.3
280.20618	2.7
281.21429	1.1
308.23590	1.3
310.25287	100.0
311.12604	0.5
311.25674	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	310.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03946	0.4
54.98186	0.2
55.01852	0.3
55.05502	0.3
58.14974	0.2
65.03938	0.2
67.05502	0.4
69.03442	0.2
69.07074	0.4
70.06596	0.3
70.81917	0.5
77.03923	0.2
79.05498	2.8
79.06856	0.1
81.07053	0.6
82.07364	0.3
82.92198	0.2
83.08643	0.2
91.05482	5.4
93.05791	0.3
93.07047	0.6
94.07355	0.2
95.04977	0.7
95.08625	0.4
96.08949	0.2
105.03397	0.5
105.04510	0.2
105.07061	0.2
106.06561	9.4
107.04960	1.1
107.08597	0.3
108.08125	3.7
108.08865	0.2
109.06535	1.0
109.10133	0.2
116.04989	5.4
116.05809	0.3
119.06097	0.2
119.08623	0.2
121.10160	0.4
130.06537	2.5
132.04453	0.5
132.08102	0.6
133.10146	0.2
134.06020	100.0
135.06361	1.6
137.05942	0.4
146.05994	0.2
147.11681	0.2
148.04718	0.2
157.07594	0.2
159.09186	10.9
160.07587	2.8
160.09579	0.2
161.07066	0.2
175.08708	0.2
176.14281	0.3
177.10274	1.1
203.08157	2.0
235.07495	0.2
251.10762	0.4
274.13419	0.5
275.11795	0.8
292.14484	0.9
310.11530	0.3
310.15485	5.3
310.18188	1.6
311.05548	0.2
311.12839	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51249	2.2
53.03928	5.7
55.05499	9.2
56.05034	5.0
57.03416	2.6
58.06591	2.4
58.99582	2.2
60.04511	3.0
61.02935	3.0
67.05486	5.9
68.05032	2.6
69.03413	10.4
69.07058	7.0
69.93098	6.8
69.93492	4.0
70.06591	56.7
71.05000	26.9
72.08153	23.1
74.06070	8.0
79.05466	4.5
80.17217	2.2
81.03430	12.1
81.07057	4.0
81.17262	2.3
83.04981	3.8
84.04504	12.3
84.08149	33.5
85.02908	16.9
85.06522	5.7
86.09707	28.4
88.03986	4.0
91.05479	12.6
92.07906	2.4
93.07082	2.4
95.04974	6.5
95.06101	3.8
95.08609	4.0
96.04501	3.0
97.02876	4.9
98.06026	3.3
99.04458	36.9
100.07616	2.4
101.18026	2.6
102.05547	4.4
103.05409	2.7
105.02728	3.7
105.03394	47.8
105.07040	4.4
107.04970	2.9
109.02876	8.5
110.06026	3.2
110.07157	12.2
111.04495	2.7
112.08703	3.2
113.06004	27.9
116.07071	4.5
117.03392	3.0
120.08080	9.4
123.04433	5.1
123.08007	3.1
124.07583	6.8
127.03908	5.9
129.10231	15.7
130.05022	2.3
130.08653	2.3
131.07036	100.0
135.04401	7.6
136.07567	7.7
137.05971	3.0
138.05464	4.4
138.09109	4.0
140.06995	2.5
145.04956	2.8
148.07607	4.9
150.05481	4.0
154.08609	2.6
156.07661	2.6
162.09154	2.3
163.03880	18.9
163.33772	2.4
164.07001	2.9
166.04874	4.3
166.08623	9.0
174.79448	2.7
177.05522	4.2
178.08652	3.5
179.11833	2.4
182.08003	2.2
184.06021	2.5
213.12328	4.8
248.12759	6.5
261.11005	2.3
310.14453	9.2
310.17746	3.9
310.20825	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	310.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
53.03950	0.5
54.40724	0.2
55.01866	0.2
55.05502	0.8
55.30720	0.2
56.05833	0.2
57.03432	0.3
62.45180	0.2
65.03931	0.4
66.91396	0.2
67.05503	0.8
69.03419	0.3
69.07070	0.3
70.06606	0.2
70.11349	0.2
70.15537	0.8
77.03931	0.3
79.05502	3.4
80.05819	0.3
81.03431	0.2
81.07059	0.7
81.07497	0.2
82.07398	0.2
83.08614	0.3
85.02892	0.4
85.25089	0.2
86.06068	0.9
87.04474	0.4
91.05489	5.9
93.05816	0.3
93.07043	0.9
95.04964	0.9
95.08583	0.4
96.08957	0.2
97.06532	0.2
97.10163	0.3
98.06052	0.2
105.03409	0.4
105.07035	0.4
106.06559	8.9
107.04947	0.5
107.08591	0.3
108.08124	5.7
108.08876	0.3
109.06527	1.2
109.10176	0.3
112.45029	0.2
116.04972	4.4
119.06042	0.3
119.68424	0.2
120.04499	0.3
121.10115	0.3
122.09642	0.2
123.08070	0.5
124.05272	0.2
125.09682	0.3
130.06537	0.4
132.04460	0.6
132.08105	0.4
134.06018	100.0
135.06360	1.5
137.06001	0.2
147.08112	0.2
149.09644	0.3
150.05515	0.3
152.10728	0.2
159.09184	4.2
160.07574	2.4
161.09676	0.2
170.17880	0.2
177.10280	1.8
180.10234	0.2
189.11267	0.2
191.65385	0.2
203.08147	2.7
254.63614	0.2
266.21097	0.7
274.18839	0.4
292.14255	0.2
292.19824	0.5
310.15500	7.9
310.23669	0.6
311.15964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62667	1.1
53.03932	3.1
55.01871	6.7
55.05509	30.0
57.03424	3.7
57.07074	20.6
59.04995	16.9
59.89238	1.2
61.74480	1.2
65.03942	1.3
67.05139	1.6
67.05504	35.0
69.03418	7.2
69.07065	81.9
69.68848	7.9
70.06581	2.5
71.04987	8.3
71.08640	7.1
71.59729	1.2
73.06555	2.7
79.05492	16.7
81.03408	4.2
81.07054	100.0
82.07400	1.8
82.70079	1.1
83.04988	3.1
83.08152	2.3
83.08619	32.4
84.08131	1.5
85.02885	3.8
85.06542	17.0
85.10181	2.8
86.99172	1.6
91.05478	13.9
91.66495	1.2
93.06481	2.4
93.07038	34.6
95.04960	5.1
95.08603	80.0
96.08925	2.1
97.02900	1.6
97.06536	9.8
97.10176	12.9
98.20747	1.6
99.08096	10.9
105.03388	10.0
105.07032	15.3
106.03716	2.4
107.04927	1.5
107.08591	36.0
109.02879	4.1
109.06506	3.9
109.10157	41.2
110.10414	1.3
111.08078	31.9
111.11693	8.6
113.09634	3.4
115.07539	1.7
117.07034	2.8
117.09164	1.6
119.04902	3.0
119.08594	11.8
120.98502	1.5
121.06509	2.0
121.10146	23.0
123.04443	1.7
123.08072	2.0
123.11692	37.8
125.09606	4.5
125.13274	4.7
127.03841	1.5
127.07497	2.1
129.07098	1.6
131.08563	2.3
133.02838	1.2
133.10136	7.8
135.08022	1.3
135.11685	16.4
137.09566	2.0
137.13232	13.4
139.11165	6.3
145.06435	1.5
145.10143	1.9
147.04424	10.2
147.08075	4.0
147.11687	10.6
149.13249	16.2
151.11182	3.7
151.14812	5.1
153.12756	8.3
159.11647	2.9
161.13286	6.6
163.14738	8.4
165.12787	6.0
165.16388	2.5
167.14297	3.2
171.13828	2.0
173.13350	1.6
175.03966	1.6
175.14822	2.5
176.10670	2.4
177.16379	5.7
179.14366	2.0
179.17903	1.7
187.11215	1.5
188.11523	3.3
189.16347	3.4
191.08626	1.2
191.17989	3.1
203.17963	1.4
209.18945	2.5
217.19525	4.0
223.20659	1.4
249.09001	1.8
267.31250	1.5
273.25671	7.0
277.08661	2.9
279.26749	4.0
281.11707	2.2
291.19565	1.6
291.26770	23.8
309.11133	5.4
309.27823	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	309.2786
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
50.62667	1.1
53.03932	3.1
55.01871	6.7
55.05509	30.0
57.03424	3.7
57.07074	20.6
59.04995	16.9
59.89238	1.2
61.74480	1.2
65.03942	1.3
67.05139	1.6
67.05504	35.0
69.03418	7.2
69.07065	81.9
69.68848	7.9
70.06581	2.5
71.04987	8.3
71.08640	7.1
71.59729	1.2
73.06555	2.7
79.05492	16.7
81.03408	4.2
81.07054	100.0
82.07400	1.8
82.70079	1.1
83.04988	3.1
83.08152	2.3
83.08619	32.4
84.08131	1.5
85.02885	3.8
85.06542	17.0
85.10181	2.8
86.99172	1.6
91.05478	13.9
91.66495	1.2
93.06481	2.4
93.07038	34.6
95.04960	5.1
95.08603	80.0
96.08925	2.1
97.02900	1.6
97.06536	9.8
97.10176	12.9
98.20747	1.6
99.08096	10.9
105.03388	10.0
105.07032	15.3
106.03716	2.4
107.04927	1.5
107.08591	36.0
109.02879	4.1
109.06506	3.9
109.10157	41.2
110.10414	1.3
111.08078	31.9
111.11693	8.6
113.09634	3.4
115.07539	1.7
117.07034	2.8
117.09164	1.6
119.04902	3.0
119.08594	11.8
120.98502	1.5
121.06509	2.0
121.10146	23.0
123.04443	1.7
123.08072	2.0
123.11692	37.8
125.09606	4.5
125.13274	4.7
127.03841	1.5
127.07497	2.1
129.07098	1.6
131.08563	2.3
133.02838	1.2
133.10136	7.8
135.08022	1.3
135.11685	16.4
137.09566	2.0
137.13232	13.4
139.11165	6.3
145.06435	1.5
145.10143	1.9
147.04424	10.2
147.08075	4.0
147.11687	10.6
149.13249	16.2
151.11182	3.7
151.14812	5.1
153.12756	8.3
159.11647	2.9
161.13286	6.6
163.14738	8.4
165.12787	6.0
165.16388	2.5
167.14297	3.2
171.13828	2.0
173.13350	1.6
175.03966	1.6
175.14822	2.5
176.10670	2.4
177.16379	5.7
179.14366	2.0
179.17903	1.7
187.11215	1.5
188.11523	3.3
189.16347	3.4
191.08626	1.2
191.17989	3.1
203.17963	1.4
209.18945	2.5
217.19525	4.0
223.20659	1.4
249.09001	1.8
267.31250	1.5
273.25671	7.0
277.08661	2.9
279.26749	4.0
281.11707	2.2
291.19565	1.6
291.26770	23.8
309.11133	5.4
309.27823	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.32989	0.7
50.65667	0.9
51.35854	0.8
53.03938	2.2
53.87127	0.7
55.01856	3.3
55.05265	1.2
55.05510	12.6
57.03441	8.8
57.07054	1.2
58.49390	0.8
59.04972	1.2
60.06099	0.8
65.03947	0.8
67.05505	10.8
69.03433	2.4
69.07072	4.0
70.08588	1.9
70.08981	1.4
71.04975	0.9
74.58259	0.7
77.03898	1.1
79.05087	0.9
79.05501	13.9
79.05924	1.6
81.03410	1.8
81.07056	16.5
83.04967	1.9
83.08637	4.6
85.06538	1.9
91.05483	9.8
93.07055	9.6
95.04997	6.0
95.08601	6.0
97.06521	1.7
97.10159	7.0
99.08100	2.0
105.03403	11.1
105.04493	1.3
105.07032	6.8
107.04950	7.1
107.08604	7.7
109.06533	5.1
109.10131	2.7
111.08048	1.1
115.05424	1.2
117.07031	8.4
119.04906	1.0
119.08585	13.2
121.06496	3.1
121.10123	3.7
123.08035	2.7
123.11718	0.8
125.06003	2.0
125.09641	4.9
129.07001	2.8
131.08571	5.6
133.10115	3.4
134.05981	1.5
135.04424	100.0
135.08023	3.7
135.11694	1.5
136.04778	3.3
137.09613	1.4
143.07414	1.0
143.08566	2.6
144.08093	37.1
145.10115	5.4
146.06038	1.1
147.08084	6.0
147.11665	1.8
148.07564	1.3
149.09624	1.5
157.10132	2.8
159.08078	1.9
159.11682	2.6
161.09613	2.2
163.11160	1.8
166.08694	1.8
171.11742	1.0
173.09711	1.5
173.13272	1.7
174.05542	3.8
175.11050	1.1
182.15474	0.9
189.11284	3.9
199.14812	2.3
210.14809	1.6
217.15901	2.3
219.13826	2.6
242.15764	1.0
249.14722	1.2
255.17683	1.3
266.11716	1.1
269.41281	0.9
273.18521	10.7
278.11685	2.5
291.19553	20.8
292.19781	1.0
309.12018	1.3
309.15820	2.5
309.21768	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	309.221
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
51.02361	2.4
53.03928	6.0
55.01851	5.0
55.05510	31.5
57.03403	6.6
57.07054	5.9
61.50076	2.2
65.03914	5.5
67.05505	45.3
69.03397	5.2
69.07066	28.1
69.55186	8.7
69.55614	7.8
71.04951	3.2
71.08592	3.5
77.03887	2.9
77.07385	2.2
79.05489	41.3
81.03372	4.1
81.07056	61.1
83.04951	4.8
83.05417	1.9
83.08624	15.9
85.06521	2.2
91.05481	46.8
92.10665	1.9
93.07038	72.3
95.04399	3.3
95.04961	61.0
95.08603	49.9
97.06522	14.7
97.10134	4.5
99.08095	3.9
103.05455	3.5
103.82700	2.0
105.07028	91.2
107.04934	4.0
107.08589	48.1
109.06542	14.3
109.07125	3.6
109.10156	29.5
109.10869	4.5
111.08028	2.8
115.05443	4.4
117.07015	15.7
119.08575	68.1
121.06493	12.1
121.10136	100.0
123.08067	11.3
123.11674	10.9
128.06148	8.1
129.07005	14.8
130.07715	7.3
131.08578	46.0
133.06441	5.4
133.07494	2.0
133.09138	2.8
133.10118	44.8
133.70865	2.0
134.05974	3.6
135.06375	3.3
135.07979	7.5
135.11668	13.1
137.09564	2.6
138.49298	2.3
141.06920	9.8
142.07770	16.6
143.07518	2.6
143.08563	30.6
143.42285	2.3
144.09309	10.4
145.09073	3.3
145.10110	49.5
146.10394	2.5
146.97325	2.5
147.07957	4.7
147.11670	16.3
149.09599	5.7
149.13191	4.5
151.11116	3.0
153.06944	3.7
154.07690	4.3
155.08530	14.4
156.09305	15.7
157.10130	43.7
158.10818	6.6
159.07983	3.5
159.10495	2.8
159.11697	39.2
161.09486	7.8
161.13205	9.7
164.98447	13.5
165.06953	3.6
167.08496	9.7
168.09299	3.2
169.10126	20.6
170.10796	6.6
171.08081	2.5
171.11687	24.7
172.12529	2.6
173.09637	4.0
173.13223	18.9
175.11127	3.9
175.14745	7.4
177.86021	2.3
179.08517	6.8
180.09297	3.2
181.10080	11.6
182.10844	5.6
183.11673	19.8
184.80690	2.7
185.09587	3.3
185.13322	13.2
185.14642	2.2
187.11066	10.0
187.14832	20.9
189.12639	6.9
189.16371	2.9
193.10048	9.1
194.10797	6.9
195.11685	10.6
196.12337	5.1
197.13290	17.0
199.11026	2.4
199.14839	13.2
201.12650	4.4
201.16356	3.9
206.10794	2.7
206.99359	3.0
207.11568	6.4
208.12297	3.4
209.13205	12.5
210.13898	2.9
211.14790	12.7
213.12697	3.7
213.16301	4.6
215.14262	5.2
219.11464	3.6
220.12297	3.7
221.13312	10.8
223.14676	7.4
225.16220	7.2
227.14310	2.4
233.13222	3.7
234.98933	2.1
235.14655	7.9
237.16264	3.4
239.17891	5.0
240.18802	2.3
249.16370	4.6
253.15701	9.2
253.19456	4.8
261.16162	2.3
265.19443	3.5
267.17172	4.3
273.18338	2.2
276.18719	2.6
281.22449	6.9
285.17300	2.8
291.20795	12.7
309.02603	2.3
309.13980	3.3
309.21918	99.6
310.10648	4.6
310.22256	3.7
320.55771	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	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03935	6.9
55.01628	2.2
55.01872	24.5
55.05509	34.5
57.03419	5.9
57.07066	3.5
59.04979	2.6
65.03930	3.5
67.05505	78.4
69.03421	6.6
69.06728	3.0
69.07066	31.5
69.34857	15.5
71.04987	11.1
71.08630	2.1
79.05494	50.8
81.03411	7.7
81.07056	98.4
83.01336	4.4
83.04987	17.0
83.08616	12.6
85.02885	3.3
85.06535	7.8
91.05479	61.3
93.06481	3.8
93.07043	50.8
94.07363	2.4
95.04971	18.9
95.08603	31.2
97.06519	9.0
97.10162	5.6
99.04441	5.2
99.08067	2.4
103.05481	2.2
105.03391	6.2
105.07032	64.6
107.04964	10.7
107.08595	54.3
108.09027	1.9
109.02864	1.8
109.06522	18.2
109.10153	85.8
111.04443	8.1
111.08082	13.1
113.05993	5.2
114.46166	1.7
115.05421	2.2
117.07027	10.2
117.54424	1.9
119.08575	20.4
121.06527	16.7
121.10146	14.8
123.04398	5.3
123.08066	7.6
123.08894	1.8
123.11702	12.1
125.06016	2.7
125.09642	6.1
127.07548	6.3
128.06203	2.2
129.06999	6.5
131.08563	15.1
133.06503	8.7
133.10130	100.0
134.05984	2.0
134.10451	1.9
135.04425	1.6
135.08046	9.5
135.11668	9.3
137.05962	4.2
137.09608	3.5
137.78000	1.7
139.07568	11.4
143.08572	7.1
145.10135	12.1
147.08017	11.3
147.11697	5.8
149.09575	8.9
151.07603	1.9
151.11179	58.5
155.08456	2.6
157.10083	6.5
159.08031	3.1
159.11700	5.2
161.09634	11.8
161.13277	4.0
163.11234	4.8
165.09105	2.9
169.12236	12.3
171.11684	7.6
173.09529	3.6
173.13281	2.9
175.11191	6.2
179.10655	2.5
181.08607	2.4
181.12253	2.2
185.13196	3.4
189.12727	4.4
195.11746	2.5
199.11252	2.3
203.14322	2.7
203.18115	1.9
205.82355	2.0
207.13831	2.6
209.11786	2.1
215.12790	4.9
217.12183	3.1
223.13255	3.6
227.17941	2.8
235.13354	2.9
245.18996	15.9
255.17398	4.8
263.20053	16.8
273.18484	36.7
274.18900	2.9
277.48154	1.8
291.19534	68.3
292.19736	4.0
309.20660	30.0
309.24088	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	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03943	1.3
55.01871	6.1
55.05511	31.0
57.03434	1.6
65.03934	0.8
67.05502	12.4
67.29282	0.7
69.03439	3.8
69.07066	11.6
69.79890	4.8
71.04991	1.2
79.05493	15.7
81.03417	2.4
81.07053	18.9
83.04977	3.0
83.08623	14.9
85.06501	0.8
91.05486	8.5
93.07046	10.2
95.01329	1.5
95.04977	5.3
95.08617	5.4
97.06535	2.0
97.10171	21.7
99.08054	1.0
103.28545	0.7
105.07029	7.8
107.04953	2.3
107.08601	10.1
109.02892	1.3
109.06519	2.5
109.10150	3.5
111.04449	2.3
111.08062	2.1
117.07010	4.0
119.04963	1.1
119.08575	6.7
121.06497	2.8
121.10145	5.1
123.04503	0.8
123.08067	6.3
125.09629	16.1
129.07013	2.1
131.08580	4.7
133.06488	2.6
133.10126	2.5
134.05989	0.9
135.08046	2.9
135.11690	1.0
137.09615	3.0
143.08536	1.4
143.10623	1.2
145.06502	1.0
145.10100	3.5
147.08032	4.4
147.11679	3.2
149.09618	2.1
153.09105	1.4
153.12804	1.2
157.10123	1.2
159.11652	1.0
161.09566	1.9
162.10443	1.0
163.11208	1.9
165.09117	3.3
171.11682	1.3
175.11195	1.8
175.17412	0.8
185.13214	0.8
189.11214	11.3
189.12727	1.5
193.12311	1.4
198.82973	0.9
199.68718	0.8
214.60011	0.9
221.11650	1.4
223.13339	2.4
237.16301	0.8
245.19035	1.5
249.14857	2.1
255.17403	2.0
273.18478	13.6
291.19543	100.0
292.19873	6.5
309.20609	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	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.34292	1.6
55.01859	6.2
55.05513	4.0
57.03443	34.3
57.07069	2.3
65.03955	1.9
67.05509	30.8
69.03400	1.9
69.07068	4.3
69.72823	7.6
69.73225	3.2
71.04987	3.5
79.05498	16.3
81.07062	15.2
85.06547	32.8
91.05486	14.9
93.07037	11.3
95.04968	34.9
95.08601	7.1
98.21506	2.0
105.07037	8.2
106.06577	3.0
107.04977	4.3
107.08621	10.5
109.06522	37.3
109.10158	2.6
113.06010	100.0
114.06326	2.1
115.05470	1.9
117.06989	5.4
119.08594	5.3
121.10102	3.8
123.08022	2.9
129.06996	3.9
131.08569	7.4
133.10156	5.0
134.06027	22.0
135.06430	17.3
135.08051	35.5
135.11665	2.8
143.08574	5.1
143.98279	1.7
144.08098	3.2
145.10139	7.7
147.08115	2.3
149.09618	2.8
159.11731	3.3
159.91495	1.8
160.04247	1.7
161.09645	3.9
177.12709	1.9
185.13208	2.8
199.14919	2.9
217.15916	10.9
237.16292	2.1
273.18463	15.4
277.58694	1.9
291.19537	43.4
292.19901	3.4
309.11176	3.4
309.17987	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	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.02382	3.2
51.62070	2.4
53.03946	5.5
54.38769	2.4
55.01865	11.6
55.05510	44.2
56.96562	8.3
57.03435	6.3
57.07051	3.1
59.04989	3.0
63.70894	2.2
65.03932	3.2
67.05502	55.5
69.03419	10.1
69.07066	22.7
69.69094	12.4
69.69501	5.2
70.04076	4.9
71.05009	3.1
76.37189	2.4
79.05486	33.2
81.03416	25.2
81.07052	46.4
83.04970	9.7
83.08607	22.8
85.06548	3.9
91.05468	23.4
92.05799	3.6
93.07033	21.2
95.01314	12.9
95.04971	47.8
95.08604	34.2
97.06529	5.0
97.10169	36.5
98.21496	4.4
98.97582	10.2
105.03408	5.6
105.07025	23.0
107.04951	23.3
107.08581	28.2
109.02928	3.0
109.06522	7.6
109.10151	21.9
111.04446	4.0
111.08026	3.6
116.98611	11.7
117.07018	10.1
119.08597	22.2
121.06480	6.2
121.10145	11.4
123.04396	3.4
123.08060	17.1
123.11720	6.0
125.09628	23.1
128.06197	3.5
129.07016	6.7
131.04929	3.7
131.08592	14.5
133.06458	4.5
133.10104	13.2
134.06021	31.9
134.99626	17.4
135.06393	20.6
135.07991	12.5
135.11707	6.2
137.09613	7.7
141.07033	3.0
142.07816	5.2
143.08533	10.1
145.06476	3.1
145.10138	7.2
147.08084	5.9
147.11662	10.4
149.09616	3.3
153.00711	3.3
153.09102	3.0
155.08536	8.4
157.10124	9.9
158.01213	6.1
159.08083	6.1
159.11713	5.2
161.09612	3.0
163.11160	5.3
165.07010	7.3
165.09122	7.5
166.07823	2.6
167.08504	3.9
169.10117	5.9
171.08038	3.1
171.11659	4.4
173.09622	4.1
173.13187	2.8
174.60324	2.7
175.11113	4.5
178.07777	19.5
179.08559	12.7
180.09357	5.2
181.10130	10.3
183.08028	4.8
183.11646	3.2
185.13287	3.4
186.12711	3.2
189.06973	4.7
189.09241	4.8
189.11221	17.3
191.08553	5.2
192.09320	9.0
193.10185	23.9
194.10785	2.6
195.08061	7.6
195.11711	7.8
197.09538	6.9
197.13246	3.5
199.14749	5.5
200.15135	3.1
202.07788	3.3
203.08546	4.7
204.09367	3.1
205.06487	3.2
205.10246	7.2
206.07254	15.5
206.10872	7.4
207.08072	5.2
207.11684	7.8
208.08698	3.3
209.09663	9.9
211.07573	2.9
211.11130	3.6
217.10245	4.2
219.08014	6.2
219.11644	5.5
220.08760	8.3
220.12198	5.1
221.09624	67.6
221.13300	8.7
222.10216	7.7
223.11131	10.8
223.13176	3.2
224.11766	5.1
225.09007	3.4
228.14749	4.0
230.10878	3.7
233.09529	7.3
234.06735	7.4
234.10414	3.5
235.07536	3.6
235.11139	14.5
235.14790	5.6
236.11700	4.4
237.12683	4.4
239.10617	11.5
245.09514	3.3
247.07823	2.6
247.11142	5.4
248.08366	5.8
248.11971	6.0
249.09103	70.3
249.12775	11.0
249.18748	2.8
250.09500	5.3
250.13234	4.9
253.14909	3.1
263.11032	14.0
263.14218	22.7
265.12256	5.7
265.15558	5.0
266.12619	6.0
267.10153	19.5
267.13715	4.7
273.18506	21.5
276.11456	3.2
276.14743	5.7
280.17621	4.5
281.11826	3.2
281.15335	3.9
281.18903	6.2
282.11542	3.0
291.10495	5.9
291.13834	28.0
291.16574	5.0
291.19531	100.0
292.14334	2.6
292.19962	6.9
294.15695	7.7
309.11176	16.1
309.14780	68.9
309.18222	30.6
309.20819	9.0
309.24316	11.3
310.11530	3.4
310.15192	9.7
310.25214	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.03337	0.9
51.02381	0.9
52.05844	0.8
53.03938	4.8
55.01876	5.0
55.05512	24.8
57.03432	6.0
57.07071	2.0
59.05000	2.1
65.03934	1.3
67.05508	21.7
69.03432	5.4
69.07071	10.8
69.49752	0.8
70.97588	1.5
71.04996	5.2
71.08627	1.7
75.80440	0.8
79.05493	42.8
81.03049	1.0
81.03425	9.1
81.06586	1.7
81.07054	28.4
83.04980	4.4
83.08622	13.1
85.02889	2.7
85.06555	4.1
91.05484	25.7
92.05817	1.0
93.07043	45.3
95.04965	13.0
95.08605	18.2
97.06542	6.2
97.10174	17.3
97.75093	0.8
99.04420	1.1
99.08105	4.3
103.05462	2.5
105.03393	3.6
105.04483	1.3
105.06387	1.4
105.07027	14.1
106.06564	8.1
107.04964	5.5
107.08585	12.8
108.08116	6.2
109.02876	1.7
109.06508	9.2
109.10156	6.0
111.08077	2.8
113.06009	10.8
116.04974	4.6
117.07016	6.1
119.08579	10.4
120.04455	2.6
121.06525	4.5
121.10146	16.9
123.04415	1.8
123.08068	16.3
123.11691	3.0
125.05971	1.4
125.09629	15.6
127.07594	1.4
128.06265	1.0
129.07008	2.4
130.06564	1.2
131.04932	5.1
131.08580	6.8
133.06511	2.3
133.10146	6.6
134.06013	100.0
135.04388	1.4
135.08038	5.7
135.11697	5.2
137.09605	2.7
139.07512	1.0
141.06976	1.9
143.08549	2.9
145.06438	1.7
145.10121	4.8
147.04416	2.6
147.08022	7.8
147.11688	3.8
148.07573	3.1
149.05952	0.9
149.07895	1.6
149.09625	2.3
149.13257	2.0
151.11133	0.9
153.09164	2.4
157.10109	2.8
159.08084	1.5
159.09203	4.6
159.11658	4.2
160.07597	3.2
161.09605	1.9
162.09218	1.5
163.11186	2.2
165.09084	2.3
165.12753	1.3
169.10025	1.2
171.11697	2.7
173.13205	1.5
175.11240	1.8
177.10289	2.1
177.12694	2.2
181.10056	1.1
183.11615	1.5
185.13205	1.8
187.11163	2.4
189.11235	11.6
189.12787	1.5
193.12108	1.2
195.13829	1.7
199.14810	1.2
203.08258	2.2
203.14406	1.3
205.12267	1.1
207.13875	1.2
209.13263	1.0
209.15121	0.8
217.15863	3.2
219.14003	1.1
221.13373	0.9
221.15373	1.8
223.13231	4.6
245.19098	1.2
249.14844	1.5
255.17471	2.0
263.14236	1.1
263.20135	1.5
266.21265	2.7
273.18466	8.1
274.77338	1.0
277.08545	2.3
291.19562	21.8
291.22885	1.8
291.26474	1.3
292.19876	1.0
304.75735	0.8
309.11148	3.3
309.20557	10.0
310.15436	8.8
310.23816	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.64729	1.1
55.01859	5.6
55.02093	1.4
55.05504	4.3
57.03438	33.6
59.86748	1.2
65.03938	2.5
67.05505	26.9
68.21880	1.2
69.03416	2.2
69.07051	5.0
71.04976	4.2
71.18421	2.1
79.05502	14.8
81.07048	12.1
83.04966	1.5
85.06544	33.5
91.05477	12.8
93.07027	10.5
95.04971	38.1
95.08607	7.9
97.87116	1.2
105.07029	9.1
107.04953	3.2
107.08611	10.1
109.06523	38.8
109.10163	2.9
113.06006	100.0
114.06310	1.2
115.05463	1.3
117.07029	5.9
119.08566	5.0
121.06451	2.4
121.10125	3.7
123.08029	2.1
129.07005	4.8
131.08560	7.7
133.10103	4.2
134.05992	4.6
135.06435	1.9
135.08055	33.4
135.11678	3.2
143.08586	3.0
145.10104	5.5
147.08061	1.7
149.09566	2.3
157.10143	3.5
159.11688	3.3
161.09607	4.6
163.11182	1.6
171.11710	3.2
173.13257	2.1
175.03941	1.8
175.11195	2.3
177.12758	1.7
185.13237	1.3
187.14784	1.2
189.16519	1.2
195.13808	1.4
199.14828	2.6
201.93565	1.2
217.15866	9.2
239.07013	3.1
255.17465	1.8
273.18420	15.7
291.19534	43.5
309.11459	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	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03931	2.3
53.18901	1.8
55.01874	16.3
55.05511	61.9
57.03431	5.5
57.07067	3.2
59.04992	5.5
60.29656	1.7
67.05504	51.7
67.63639	2.1
69.03421	13.3
69.07072	24.6
70.87668	4.5
71.04971	5.0
79.05495	48.0
81.03421	12.4
81.07056	76.3
83.04971	13.0
83.08620	36.0
85.02896	4.3
85.06532	6.2
91.05470	21.0
93.06483	3.3
93.07044	46.2
95.04967	35.7
95.08610	49.1
96.75198	2.1
97.02866	2.3
97.06511	4.7
97.09542	3.8
97.10168	53.8
99.04452	3.0
99.08085	2.8
103.05463	7.6
105.03381	11.4
105.07036	26.7
106.03728	3.6
107.04951	7.3
107.08604	29.9
109.02900	2.3
109.06500	5.9
109.10151	14.9
111.04466	9.7
111.08080	9.2
113.06046	2.3
117.06977	11.2
119.00665	2.5
119.08583	22.3
121.06501	5.4
121.10122	13.4
123.04431	3.5
123.08067	100.0
123.11716	14.1
125.09631	48.1
125.48468	1.9
129.07021	3.6
131.04939	20.6
131.08539	9.6
133.06464	2.7
133.10124	12.8
134.06036	4.5
135.08051	8.3
135.11684	8.7
137.09608	7.2
139.11168	2.6
143.08595	3.1
145.10085	11.8
146.09607	3.7
147.04347	6.2
147.08070	9.2
147.11665	8.8
149.09587	4.6
151.11134	3.9
153.09081	4.2
153.12683	3.6
157.10149	5.7
159.11646	3.5
161.09578	4.9
162.09181	2.2
163.11235	14.1
165.09138	10.0
169.12213	8.3
171.10187	2.0
171.11649	3.1
173.13307	2.5
174.09116	2.4
175.11259	4.4
181.12207	5.7
185.13362	2.2
187.13293	7.7
187.14833	2.0
189.11232	33.4
189.12730	1.8
191.10701	4.1
193.12218	11.1
211.13280	5.6
213.12767	2.3
223.13309	6.8
227.12798	3.7
227.17924	1.9
234.06738	2.2
245.18991	2.5
251.07285	4.5
255.17365	6.3
262.96921	1.9
263.20041	6.6
268.08710	2.0
269.08322	15.9
273.18515	36.4
274.18927	2.5
277.08658	3.0
291.19553	56.6
291.26764	1.9
309.07443	2.2
309.11014	7.8
309.16699	8.2
309.20633	15.3
309.27859	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	309.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06154	0.2
56.96544	0.3
58.06594	0.7
62.43181	0.2
66.29698	0.2
70.76207	0.4
84.08144	0.2
98.97585	1.0
100.11266	2.4
110.97541	0.3
116.45842	0.2
116.98652	0.2
124.07884	0.2
128.15536	0.2
138.08899	0.2
146.50406	0.2
158.99651	0.7
166.08400	100.0
167.08759	1.0
170.99695	0.2
177.00681	0.8
189.00635	0.3
205.44980	0.2
219.01675	0.4
232.87256	0.2
309.17834	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	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01863	0.5
55.05505	0.8
57.03432	1.5
58.26831	0.3
58.54692	0.3
65.03933	0.9
67.05499	1.2
69.03426	4.5
69.07071	0.4
70.06583	0.6
70.18270	1.2
71.04978	0.7
73.02904	0.7
77.97639	0.3
79.05482	1.0
81.03420	14.2
81.07037	1.7
83.04964	0.3
85.02901	5.5
85.06520	0.3
91.05480	12.8
92.05798	0.3
93.07033	1.1
95.04958	0.8
95.08585	1.2
97.02890	1.2
97.06514	0.8
99.04452	1.4
100.69138	0.3
102.03833	0.3
105.07024	1.0
107.08578	0.7
109.02880	5.7
109.10155	1.0
111.08074	0.5
117.06991	0.5
119.04942	27.5
119.08577	1.8
120.05268	0.9
121.02856	0.4
121.06557	0.3
121.10136	0.6
123.04423	0.7
123.08042	0.4
123.11729	0.6
127.03927	1.8
129.06998	0.3
131.08647	0.5
136.69910	0.3
143.08620	0.3
147.04408	100.0
147.11723	0.6
148.04749	2.3
150.12672	0.4
151.13087	0.3
157.10042	0.4
159.11745	0.3
165.05479	4.2
175.07542	0.3
196.13142	0.4
197.13695	0.3
229.77876	0.4
239.10783	0.3
249.07521	0.6
277.08377	0.3
291.08633	12.4
292.09003	0.3
309.07120	0.4
309.10434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
53.03944	1.5
55.01864	0.6
55.05515	2.6
55.56396	0.3
57.03436	0.9
57.07059	0.5
66.14095	0.3
67.05499	2.6
69.03430	0.6
69.07055	1.5
70.31616	0.6
70.32004	0.7
71.05000	0.4
77.03909	0.6
79.05495	3.2
81.03398	0.7
81.07059	3.2
83.04975	0.5
83.08643	1.5
85.06542	0.4
91.05494	2.8
92.02614	1.0
93.07061	2.6
95.04958	3.4
95.08627	1.9
97.10178	0.8
98.20879	0.5
99.08079	0.7
100.11247	0.8
103.05473	3.5
105.03391	13.7
105.04534	1.0
105.07032	2.1
107.04946	1.0
107.08578	1.9
109.06499	1.1
109.10168	1.1
111.04438	0.6
111.08102	0.5
115.05473	0.5
117.07005	2.7
118.06538	0.7
118.07355	0.3
118.56423	0.3
119.08595	2.2
121.06449	0.4
121.10180	1.7
123.08044	0.6
123.11754	0.4
125.05998	2.7
125.09634	0.7
126.20424	0.3
129.07028	0.7
130.06540	1.2
131.04932	8.6
131.08588	1.0
133.10120	1.2
134.05975	1.5
135.04417	100.0
135.11707	0.4
136.04747	1.8
136.07567	2.8
137.09680	0.3
143.07341	0.8
143.08542	0.5
144.08084	37.3
145.08406	1.1
145.10150	1.2
146.06007	2.1
147.08041	0.9
147.11699	0.7
148.07559	3.5
149.09695	0.6
157.10066	0.7
159.11710	0.6
162.09142	3.3
166.08698	1.6
171.11708	0.5
173.13182	0.4
174.05518	4.6
175.11165	0.4
179.11824	1.2
182.15451	1.8
189.01796	0.4
189.16251	0.5
199.14850	0.9
207.02840	0.3
210.14882	3.3
216.10196	0.5
217.15932	1.3
220.07712	0.4
235.17039	0.6
242.14023	0.3
263.09341	0.7
266.11774	1.4
273.18549	1.4
278.11780	2.8
291.19522	2.2
309.05637	0.7
309.12225	1.3
309.16000	3.6
309.21835	1.0
309.25198	0.6
329.77032	0.4
332.59964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1756
Annotation	Arboflorine
Peak:m/z	Relative Intensity
53.03966	0.3
56.96173	0.2
70.05956	0.8
77.03916	0.4
79.05495	2.4
91.05486	4.5
93.91417	0.2
95.04963	0.6
98.20758	0.2
105.03372	0.4
106.04189	0.4
106.06561	8.8
107.04933	0.2
109.06553	1.0
109.07169	0.2
113.05968	0.3
116.04982	6.2
116.72678	0.2
119.06080	0.3
132.04454	0.3
132.08095	0.7
134.06021	100.0
135.06364	1.7
144.08090	9.9
165.10237	1.5
175.12343	2.2
201.10268	0.7
215.33444	0.2
290.16507	1.3
306.08008	0.2
308.17548	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	309.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96303	1.0
56.96563	19.1
66.30252	0.7
69.48936	5.8
71.95251	1.7
72.08121	0.9
74.67064	0.7
82.75346	0.7
84.08141	7.1
84.96015	2.1
97.02867	1.2
98.20773	1.6
98.97585	100.0
99.97902	0.9
101.00896	1.0
104.10711	1.4
110.97569	15.0
112.99146	1.0
116.98624	53.7
117.59206	0.8
119.01929	2.1
124.99088	2.8
128.07089	1.7
128.98607	18.7
130.08632	1.7
131.00145	2.3
134.38713	0.8
134.98648	1.2
134.99657	18.1
140.00177	1.7
143.00168	8.7
146.99660	12.4
149.01155	1.9
150.91957	1.2
152.00169	0.8
152.98611	1.2
158.99657	30.4
161.01215	7.3
162.99161	0.8
165.00673	2.0
169.01743	1.1
170.99660	12.4
173.01237	11.5
177.00713	49.8
179.02251	1.2
185.01222	3.4
187.02740	1.9
189.00710	20.8
189.02380	1.7
191.02306	8.3
195.01819	5.1
198.01172	0.9
200.02286	2.8
201.00824	0.9
203.02235	4.2
207.01784	6.8
208.48772	1.0
213.00633	1.9
218.94777	1.2
219.01738	14.6
219.03703	1.4
221.03403	1.6
225.12350	1.4
228.05771	2.4
231.01752	5.6
237.02837	7.8
237.86456	0.8
247.01331	1.4
249.02823	8.2
255.03896	1.2
263.02847	5.2
266.89752	2.3
267.03851	6.0
273.14331	1.2
285.04788	1.5
291.03836	9.4
291.15485	1.1
304.01819	1.0
309.04965	21.7
309.16528	1.8
327.05914	1.7
332.06546	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03930	1.8
55.01874	8.1
55.05510	11.3
57.03428	1.7
57.07085	3.7
58.06603	3.8
65.03937	2.5
67.05505	19.0
69.03429	4.7
69.07069	35.7
70.06587	5.0
71.04996	4.3
71.52694	0.9
71.53095	0.9
72.08160	5.6
73.06549	1.5
74.06078	2.5
75.06404	0.9
76.02227	3.2
77.03899	0.7
79.05489	13.0
81.03410	2.8
81.07056	64.8
83.04985	3.2
83.08606	5.4
84.04504	3.6
84.07634	1.2
84.08145	18.8
85.02914	2.1
85.06090	0.6
85.06544	15.8
85.73173	0.8
86.09701	2.9
91.05475	7.9
93.03392	0.8
93.07042	21.2
95.04984	4.7
95.08606	41.3
97.06527	6.6
97.10162	3.8
99.04448	1.6
99.08107	4.7
101.06030	1.6
105.03394	31.9
105.07034	12.7
107.04965	1.7
107.08595	20.0
109.02901	2.4
109.06531	2.4
109.10158	23.0
111.04411	1.0
111.08083	100.0
111.11707	3.0
112.08408	1.2
112.11248	39.2
113.09624	1.3
116.07077	1.9
117.05511	2.1
117.06982	1.8
119.08596	13.2
120.08093	1.7
121.02892	2.6
121.06510	1.1
121.10140	16.2
121.11028	0.8
123.08090	1.7
123.11707	59.4
124.07610	1.1
125.05959	0.8
125.09647	4.5
127.03888	1.5
127.11201	1.5
129.07054	1.1
129.10251	0.9
129.13878	30.2
130.06544	2.9
131.08571	2.8
132.04420	0.8
133.06523	1.2
133.10121	8.8
134.06018	2.9
135.08076	1.3
135.11700	11.7
136.07532	1.3
137.09526	0.9
137.13258	6.0
139.11206	4.8
141.12747	1.5
144.06648	0.9
145.02863	2.5
145.06519	2.4
145.10152	3.5
147.04393	1.3
147.11703	5.9
149.02371	1.7
149.13277	8.1
151.03911	2.1
151.11183	9.4
152.07059	0.9
153.12752	2.3
157.07573	1.5
158.06027	2.1
159.11726	3.4
161.13287	5.0
162.09146	35.0
163.03981	1.8
163.07549	1.2
163.11087	0.9
163.14830	3.1
164.07036	1.1
165.12767	4.0
167.03400	10.7
167.07022	1.0
169.12250	12.7
173.13295	1.5
175.08736	1.5
175.14813	3.6
177.16368	3.1
179.03352	0.8
179.04883	1.6
179.14311	1.6
181.04990	2.8
189.16394	2.8
191.18001	4.1
195.12566	1.2
196.13429	0.9
197.15364	1.6
201.16412	2.1
203.17999	2.1
207.17471	2.1
209.04582	1.0
215.18027	1.9
217.19548	1.6
221.19048	1.1
233.16501	17.9
239.19939	1.8
245.22676	1.4
249.05588	0.8
251.20212	0.9
253.21584	1.3
264.07663	0.9
271.13345	1.0
271.24185	2.7
289.11475	1.4
289.14423	2.9
289.17789	1.0
289.25241	6.8
290.10358	1.2
305.03860	1.0
307.12732	1.9
307.15823	1.7
307.20728	1.4
307.25650	14.1
308.07126	1.3
308.26828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2629
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03943	1.4
54.32666	0.8
55.01864	1.7
55.05511	18.6
57.03420	1.5
57.07076	9.1
59.04987	1.9
64.27885	0.9
64.42429	1.0
67.05508	17.4
69.03436	5.1
69.07069	100.0
70.06511	5.2
70.06882	1.6
70.07405	0.8
71.04980	2.9
71.06915	1.4
71.08630	4.3
79.05493	11.7
81.03407	1.7
81.07056	80.9
82.07370	0.8
83.04962	1.8
83.08624	12.1
85.06548	6.5
88.07645	1.9
91.05480	8.1
93.07042	37.2
95.04985	4.9
95.08608	37.2
95.94134	0.9
97.06525	9.7
97.10157	7.3
99.08089	2.9
101.06055	1.0
105.03374	2.3
105.07019	10.9
107.08595	30.6
109.06519	7.3
109.10157	28.0
109.10766	0.6
109.10918	1.1
111.08080	18.9
111.11723	20.9
112.11253	1.8
119.08591	6.5
121.10146	20.3
123.08075	0.9
123.11703	27.8
125.09644	1.1
131.08568	1.6
132.10170	1.0
132.12788	0.9
133.10121	14.9
135.08043	1.7
135.11679	7.3
137.09651	1.5
137.13225	5.1
137.22528	0.9
139.11174	24.7
140.11456	1.0
145.10129	1.8
147.11690	6.3
149.13249	11.0
151.11183	27.2
151.14818	1.9
153.12782	2.2
159.11711	2.8
161.13225	3.7
163.14806	3.8
165.06705	0.9
165.12770	9.0
167.14322	2.8
169.12224	3.9
172.19086	1.0
173.13301	1.2
175.14825	3.3
177.16368	2.0
187.14862	1.6
189.16397	2.6
191.17993	1.8
193.15939	1.3
200.20248	0.9
201.16487	1.8
201.20363	2.3
203.17960	2.1
215.18031	2.6
219.17499	1.0
233.16570	1.0
233.18964	0.9
244.22955	1.1
245.22952	7.8
271.24289	5.0
277.25238	3.0
289.25241	18.0
290.25668	1.2
307.26486	48.7
308.26758	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
51.72302	1.9
53.03948	1.9
55.05511	20.2
57.07077	9.8
59.04995	12.6
64.61008	1.8
65.03920	2.3
66.57016	1.6
67.05504	31.2
69.03405	1.9
69.06735	2.2
69.07069	28.1
69.37710	5.8
69.38134	9.1
71.04979	6.8
71.08613	2.6
71.90314	1.5
73.06522	2.2
74.51856	1.7
79.05490	16.7
81.07053	63.8
83.04983	2.7
83.08617	12.0
84.08122	7.0
85.07034	1.8
91.05482	14.5
93.06482	3.2
93.07046	37.6
94.04184	1.8
95.04949	6.3
95.08607	100.0
97.06539	8.8
97.10155	12.9
99.08080	2.9
105.03398	11.7
105.07025	23.0
106.06545	5.9
107.04948	1.9
107.08591	41.8
109.06522	7.8
109.10156	67.3
111.08099	2.4
111.11723	3.3
112.11235	17.1
116.04914	1.6
117.06971	3.3
119.08578	21.8
121.02895	2.0
121.06484	3.0
121.09482	2.0
121.10152	25.2
123.08099	4.2
123.11704	30.0
125.09607	8.2
127.11185	7.5
129.13864	14.1
131.08525	4.3
133.10127	20.3
134.04997	3.4
134.06015	69.2
135.11684	25.1
137.05974	26.2
137.13231	9.7
138.06316	20.6
139.11191	2.9
143.10626	7.9
144.08151	8.5
145.10129	6.7
147.11678	20.0
149.09628	1.9
149.13248	35.1
151.11166	2.9
151.14827	19.3
153.12692	3.1
159.11711	7.5
161.13252	17.0
162.09148	13.2
163.14832	9.6
165.12700	3.3
165.16418	2.3
171.11739	2.1
173.13283	4.6
175.12366	1.9
175.14815	7.3
177.16339	4.9
179.14246	3.6
187.14850	6.5
189.16364	4.8
191.17960	4.5
201.16397	9.2
203.17937	28.7
205.19522	21.6
207.17470	1.8
215.17918	5.4
217.19539	6.4
219.17450	2.2
231.21078	6.5
233.16623	9.0
237.12604	1.9
245.22656	2.9
246.10571	1.7
261.12787	2.2
271.24191	16.7
275.20035	2.9
289.12109	2.8
289.25253	20.0
307.09741	1.9
307.13083	4.5
307.16721	4.1
307.26328	19.3
308.17447	2.7
316.78647	1.9
318.47256	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03934	2.4
55.01861	2.3
55.05508	22.2
57.03423	4.1
57.07074	8.4
59.04987	2.6
63.50433	0.9
65.03921	1.7
67.05503	25.6
69.03412	5.1
69.07066	75.4
70.44040	3.1
71.04994	9.3
71.08625	2.1
76.02207	1.4
79.05491	20.2
81.03400	2.3
81.07053	100.0
83.04973	3.9
83.08151	1.5
83.08616	18.4
84.04483	0.9
84.08147	2.9
85.02908	1.2
85.06535	7.4
85.32167	0.8
87.15104	0.9
91.05466	11.5
93.07042	47.0
95.04960	9.8
95.08601	61.6
96.08927	1.4
97.06522	11.6
97.10144	8.4
99.08081	4.1
105.03387	9.5
105.07027	33.1
106.07339	1.2
107.04966	1.2
107.08590	34.8
107.09310	1.8
109.06513	10.0
109.10151	33.4
111.08073	17.3
111.11705	14.0
111.27903	1.0
112.11230	4.2
113.05994	1.4
113.09663	1.2
115.07549	1.5
117.07028	2.3
119.08579	16.5
121.06480	1.8
121.10137	35.5
123.04319	0.9
123.08064	3.8
123.11700	34.0
123.12592	1.8
125.09630	2.6
126.24940	1.0
127.07535	1.3
129.13853	3.1
131.08560	3.3
133.10121	14.5
135.08066	1.1
135.11688	12.5
137.09615	4.4
137.13261	12.5
139.11153	14.5
141.09044	1.1
143.08449	1.3
145.02884	1.9
145.10114	4.3
147.11682	18.5
149.09535	1.3
149.13235	12.4
151.11156	15.8
153.12737	4.3
158.09645	2.8
159.11690	5.6
161.13263	4.2
162.09152	3.7
163.03860	1.4
163.11212	1.3
163.14825	4.3
165.12747	21.0
167.14336	3.1
168.08090	1.1
169.12215	2.2
173.13255	3.6
175.14839	3.3
177.12730	0.9
177.16399	2.2
179.14363	1.3
181.16132	1.0
183.13809	1.8
186.09065	6.4
187.11102	1.5
187.14821	1.7
189.16367	2.1
191.17905	2.8
193.15973	1.1
201.16380	2.5
203.17986	3.3
205.04848	1.6
205.19630	1.2
207.17467	1.6
209.18832	1.5
215.18007	2.3
218.37827	1.0
231.21281	1.1
233.16628	1.8
233.19077	1.4
245.22659	2.4
247.09782	1.3
271.24078	4.4
277.25305	2.7
289.14093	1.3
289.25250	17.9
307.09244	1.2
307.26306	46.5
308.26797	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	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
51.06822	1.7
53.03947	2.5
54.37364	1.9
55.01873	2.8
55.05510	16.2
57.07084	8.8
59.04987	2.1
67.05503	21.5
69.03419	5.6
69.07067	73.7
69.22387	3.7
69.22802	14.7
71.04978	4.9
71.08629	3.8
72.08131	1.8
79.05492	14.2
81.03451	3.8
81.07057	75.3
81.07536	4.1
83.04981	4.7
83.08624	18.2
84.08163	3.5
85.06535	7.4
87.41146	1.5
91.05476	11.8
93.07046	36.6
95.04959	16.7
95.08611	66.1
97.06523	9.4
97.10165	10.1
99.08098	2.5
99.70393	2.0
101.06056	2.6
105.03391	5.4
105.07031	24.0
107.08588	24.9
109.02914	2.1
109.06535	6.4
109.09467	3.1
109.10162	35.2
111.08074	10.8
111.11713	12.9
111.15127	1.5
112.11242	5.3
113.05969	3.3
114.12753	1.9
116.49112	1.7
119.08581	16.4
121.06525	2.1
121.10142	32.8
122.10631	1.9
122.87246	1.8
123.08115	2.6
123.11713	31.2
125.09563	1.8
125.13280	2.4
126.44898	1.6
127.07525	3.0
129.13882	5.2
131.08545	2.9
133.10138	6.6
135.08044	2.0
135.11693	13.7
137.09631	3.6
137.13251	9.5
139.11140	10.8
145.10124	5.3
147.11705	16.3
149.09619	2.8
149.13260	9.9
151.11166	6.5
151.14857	2.2
153.12784	5.3
159.11705	5.2
161.09871	1.8
161.13271	3.9
162.09132	9.1
163.14841	3.1
165.12749	18.5
167.14394	2.6
169.12186	2.1
175.14862	3.7
177.16420	3.9
189.16354	4.6
201.16360	2.0
215.18175	3.1
230.51105	1.8
233.16495	4.9
233.18849	2.6
264.07635	1.7
271.24252	3.7
289.25256	22.6
307.09607	4.6
307.15689	2.3
307.26343	100.0
308.12912	2.4
308.26660	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	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03965	1.5
55.01857	1.9
55.05512	26.7
57.03405	2.0
57.06878	1.4
57.07075	14.3
65.03944	3.6
67.05177	3.0
67.05505	33.2
69.07072	60.9
69.24298	18.6
69.24603	1.6
70.06591	8.4
71.04999	1.6
71.06942	3.4
71.08625	5.1
72.08141	4.1
73.02235	1.7
76.02221	1.9
79.05490	11.8
81.03407	2.2
81.07057	92.1
83.04994	1.8
83.08161	2.5
83.08623	37.2
84.04509	1.9
84.08147	9.4
85.06530	2.6
91.05477	8.5
93.07055	20.1
95.04986	3.8
95.08611	93.3
97.06526	4.4
97.10164	21.4
105.03383	15.2
105.07045	15.1
106.52312	2.0
107.04968	3.0
107.08606	20.0
109.06526	4.8
109.10157	100.0
110.10475	3.1
111.08092	3.5
111.11717	18.6
112.11243	14.4
112.11926	2.6
119.08587	9.0
121.02877	39.2
121.06522	4.0
121.10140	18.3
123.08071	4.8
123.11710	71.1
125.09678	3.3
125.13306	9.8
125.14104	1.9
129.13878	10.4
129.14743	1.8
130.06529	2.2
131.08554	4.9
131.17679	1.6
133.10138	7.6
134.06001	5.4
135.08012	3.6
135.11719	10.5
137.09605	5.8
137.13266	26.0
138.74179	1.7
139.11180	2.1
145.10138	4.2
147.11684	10.8
149.13275	13.2
151.11179	3.7
151.14828	13.2
153.09099	2.1
155.10625	4.5
157.06493	4.1
159.11667	2.2
161.13293	8.9
162.09155	15.5
163.11195	3.3
163.14833	9.9
165.12709	7.3
165.16399	7.0
169.12210	3.3
173.13272	1.7
175.14760	4.8
177.12738	1.6
177.16383	4.6
179.14326	6.4
179.17926	5.4
180.42041	1.8
181.12300	2.2
183.12317	1.7
183.13814	7.4
186.23354	2.1
187.11234	1.9
189.16356	3.1
191.17915	4.4
193.15924	2.9
197.15361	2.4
205.15776	2.0
205.19569	3.5
207.17389	2.1
207.21167	1.9
213.05458	9.0
215.17955	4.7
219.17299	1.8
233.16592	4.3
233.19020	4.7
247.20807	1.8
253.15761	1.7
261.25778	17.9
271.24188	26.8
272.24506	2.9
275.19998	5.4
289.17981	5.4
289.25275	51.4
307.09601	21.2
307.19293	3.2
307.22278	9.0
307.26431	14.1
308.09662	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
52.21861	1.0
53.03936	2.4
55.01853	4.5
55.05510	17.9
57.03413	1.9
57.07056	2.8
58.06581	1.1
59.04984	4.2
65.03920	1.3
67.05504	24.3
69.03410	2.1
69.07066	16.6
69.74539	4.9
70.06591	1.9
71.04984	11.7
72.08161	1.2
72.14026	1.0
73.06556	1.6
74.55927	1.0
79.05070	1.8
79.05492	22.5
81.03409	2.1
81.06598	2.0
81.07057	32.7
83.04974	3.7
83.08629	9.1
84.08144	6.4
85.06547	5.3
87.04443	2.6
87.08097	1.0
91.05481	37.9
92.05798	1.4
93.07041	29.0
95.04951	5.4
95.08608	22.8
97.06532	10.3
97.10145	4.4
99.08093	2.5
103.05454	2.3
105.03387	7.3
105.07028	45.3
106.06547	2.3
106.07282	1.1
107.04937	3.0
107.08591	19.8
108.05698	1.3
109.06515	16.6
109.10162	15.2
111.04426	2.2
111.08067	4.8
111.11677	1.4
112.11237	10.2
113.05988	3.7
115.05451	1.7
117.07012	10.3
119.08581	32.0
120.08099	1.1
120.08949	1.0
121.02848	4.2
121.06502	7.3
121.10150	13.1
123.08074	11.0
123.11745	7.3
125.09615	2.4
127.07549	1.1
129.06982	3.4
129.13858	7.0
130.06490	2.7
131.08578	13.3
133.06485	1.3
133.10117	26.6
134.05022	1.1
134.06021	17.7
135.06383	10.9
135.08018	9.3
135.11668	6.5
136.08784	1.2
137.02328	9.5
137.09612	10.4
137.13252	2.6
139.11118	1.4
141.06929	0.9
143.08548	1.9
145.10139	12.0
147.11671	18.6
149.09592	6.0
149.13326	4.8
151.11176	15.5
155.08524	1.7
157.10135	1.8
158.28944	1.0
159.07910	1.3
159.11697	9.3
161.09534	1.3
161.13263	5.3
162.09122	9.4
163.07553	1.6
163.11203	10.8
165.12762	10.1
169.10136	2.9
171.11650	3.6
173.11949	1.1
173.13200	6.0
175.11182	1.4
175.14775	1.9
177.12752	3.3
178.79369	1.1
179.14293	3.9
183.11711	2.2
187.11322	1.9
187.14809	2.6
189.12726	1.6
191.14261	2.5
197.13203	5.0
204.96774	1.0
213.05415	1.4
213.16360	1.3
215.17870	1.6
229.19458	6.1
233.16426	4.4
233.18561	1.1
239.17949	9.3
247.20596	4.3
248.12537	2.7
249.07591	2.2
249.18475	2.4
257.19006	10.0
261.25555	1.3
265.18076	1.0
275.20053	57.3
276.12006	3.5
276.20407	2.3
285.07846	1.4
289.18048	4.6
289.21555	2.3
307.09586	3.8
307.16397	4.7
307.22620	100.0
308.23080	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	307.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01877	20.7
55.02091	3.4
55.05511	49.4
56.44224	3.6
56.96576	3.7
57.03436	53.4
57.07061	11.4
59.04988	9.5
65.03912	5.2
67.05505	76.4
69.03419	18.2
69.06717	4.6
69.07066	42.9
69.59122	11.4
69.59550	15.6
71.04994	10.1
72.08142	4.1
72.37482	4.6
73.06547	7.2
74.43929	3.9
79.05496	56.8
81.03420	7.0
81.07059	85.7
83.04983	50.1
83.08621	26.4
84.08170	21.4
85.06530	14.6
86.08845	3.7
87.04455	4.3
91.05486	60.0
93.07043	83.4
95.04983	18.9
95.08609	96.5
97.06533	25.8
97.10159	13.3
99.08051	7.1
103.05492	4.7
103.94120	3.6
105.03398	36.1
105.07028	59.1
106.06638	4.1
107.04953	49.5
107.08597	60.1
108.05765	5.1
109.06530	29.5
109.10159	55.4
111.04424	27.6
111.08067	11.3
112.10663	4.1
112.11261	44.0
117.07024	23.3
119.08579	44.2
121.02836	10.9
121.06488	12.3
121.10146	41.0
122.03659	5.9
123.08063	14.6
123.11693	29.7
125.09608	9.2
129.07008	7.8
129.13869	35.1
131.08548	25.7
133.06479	10.6
133.10146	36.8
134.06004	29.3
135.08070	22.9
135.11693	36.4
137.05972	73.2
137.09578	14.7
137.13235	9.0
138.06314	47.9
139.11198	5.2
141.07007	6.9
143.08542	6.5
143.10651	5.7
145.06480	8.3
145.10124	27.7
147.08070	16.4
147.11699	25.1
149.06012	8.5
149.09633	18.2
149.13283	32.5
151.03842	6.8
151.07442	7.2
151.11186	9.2
151.14809	12.6
157.10098	5.9
159.08008	14.2
159.11688	19.9
161.05963	4.5
161.09581	12.8
161.13231	10.8
162.09138	48.1
163.07503	10.5
163.11172	10.7
163.14816	7.3
165.09146	8.1
165.12758	12.4
166.13063	8.0
171.11678	7.9
173.05920	4.9
173.09613	8.0
173.13293	12.3
175.14917	7.5
177.05519	5.1
177.12762	11.7
185.13342	5.1
187.11211	5.5
187.14836	11.8
189.09137	6.0
191.07062	5.6
192.14648	6.5
197.08070	9.6
201.09061	5.4
201.16394	5.4
203.17947	25.3
205.15891	8.8
205.19492	14.5
215.10744	8.6
215.14290	9.5
215.17914	5.9
217.03514	11.2
217.19427	8.4
231.21133	5.3
233.02879	18.4
233.11711	18.2
233.15381	22.4
233.16409	19.2
235.04512	5.7
243.17455	10.7
247.20609	4.8
251.04005	12.2
257.11749	8.5
261.02475	19.7
261.18542	14.2
271.16867	13.1
271.24210	13.7
275.12753	8.6
275.20023	39.5
279.03519	100.0
279.15915	5.0
280.03629	9.0
284.03967	17.6
289.14893	8.0
289.17978	59.1
289.21417	8.9
289.25293	17.4
290.21915	9.5
302.05084	86.4
303.05243	10.1
307.19159	7.0
307.22266	9.0
307.25723	16.9
325.06491	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	307.1287
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01864	1.6
65.91745	0.4
69.21304	0.6
69.21548	0.7
69.21951	3.2
73.02891	0.5
78.75110	0.5
79.07320	0.4
83.60966	0.4
84.08118	0.9
90.70294	0.4
91.05434	0.4
92.30899	0.4
94.06550	0.5
95.04944	0.9
96.04468	0.6
98.06062	0.8
98.20781	0.7
105.03391	9.9
107.08572	0.9
108.04472	0.8
112.07497	0.4
112.11237	2.8
118.63935	0.4
122.06036	1.9
123.28961	0.4
124.07576	0.8
129.13864	2.4
130.06529	1.2
135.08037	2.2
136.07605	1.1
138.05492	0.6
140.07042	2.1
145.06451	0.6
146.60516	0.4
148.07463	0.6
156.08081	0.8
157.07587	1.3
158.06027	1.7
159.09190	0.7
160.07570	1.6
162.09103	2.4
163.08612	1.0
164.07013	0.5
168.06561	1.7
172.07614	0.9
173.07025	0.5
173.10748	0.8
174.09171	2.7
176.10718	0.5
177.10223	1.7
178.08630	13.2
181.38712	0.4
182.08136	0.9
184.07623	1.6
185.07037	0.4
187.08679	1.2
188.07047	3.3
189.44627	0.4
191.08218	0.9
193.09731	0.6
198.09123	1.8
199.08853	0.6
200.10869	0.6
201.06587	0.8
201.10217	3.3
202.08635	5.0
205.09734	4.5
206.08087	2.2
211.08649	0.5
212.07013	1.2
215.11826	0.8
216.10292	2.9
219.07709	1.1
219.11302	4.3
220.09648	1.5
226.08556	2.4
229.09743	5.4
230.08136	3.7
233.16483	1.8
243.11272	1.8
244.09694	3.5
247.10782	11.7
248.09160	1.5
253.09572	0.6
254.08266	0.7
261.12332	1.1
262.10800	2.2
265.11841	14.6
271.10721	1.9
272.09158	1.5
289.11856	16.1
290.10074	0.7
307.12888	100.0
308.13132	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	307.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.8
69.03419	1.3
69.47792	2.7
69.48208	2.2
70.06601	4.8
72.08159	5.5
74.06083	1.3
74.44048	0.6
79.72190	0.7
81.03424	0.8
82.02944	1.7
84.04511	1.1
84.08153	1.8
85.02893	2.3
85.06525	0.7
86.09690	2.3
87.00836	1.7
87.32755	0.7
94.06544	2.0
115.05484	1.1
117.05499	5.9
117.06664	0.7
121.78204	0.7
130.06529	87.7
131.06870	1.6
132.04453	21.2
145.04988	1.0
146.06020	6.0
157.07613	72.8
158.06017	100.0
159.06335	1.9
173.07086	3.5
175.08676	47.9
176.07024	1.3
176.09094	0.9
197.07100	3.2
198.05432	0.7
199.08698	1.7
201.06558	6.0
203.08188	4.4
221.09261	3.4
225.06581	1.0
243.07655	12.2
245.09142	1.2
247.07124	2.3
261.08698	41.9
262.09122	2.3
271.07162	1.9
289.08133	10.4
289.11096	0.9
306.98560	0.7
307.09259	4.2
307.12396	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.5
55.05493	4.2
56.05029	4.9
56.96564	100.0
57.03425	12.1
57.42016	3.7
61.02918	12.7
67.05497	4.4
69.03426	35.0
70.06593	27.6
70.98113	7.6
71.04979	6.3
72.08144	16.9
73.02895	13.8
74.97591	8.5
81.03399	16.3
81.07040	8.6
84.04487	12.4
84.08159	25.8
84.61152	4.4
84.96028	13.3
85.02905	69.5
87.04456	6.3
91.05457	13.7
97.02889	38.3
98.06010	4.8
98.09620	4.7
98.97578	83.7
99.04452	9.5
100.99139	15.1
101.00871	26.2
105.03373	14.9
108.04423	4.4
109.02856	8.0
110.07168	5.0
110.97617	19.7
112.99169	4.0
113.00884	4.9
116.07098	14.0
116.98610	49.0
119.00173	9.2
119.01920	78.8
119.04924	5.8
121.01666	6.3
122.06007	4.6
127.03918	26.7
128.98611	28.7
130.06505	30.3
131.00194	7.7
131.01886	22.7
132.04472	9.9
133.01665	4.5
133.03447	8.8
134.99661	24.0
137.02966	13.9
140.07057	6.3
143.00140	8.2
143.01904	33.6
144.98091	9.4
145.01631	6.6
145.03452	10.0
145.04919	6.0
145.10478	4.3
146.99580	22.8
149.01167	7.6
149.02974	6.9
151.04465	4.5
155.01846	27.1
155.02950	4.6
157.03419	10.5
157.07603	17.7
158.06033	20.6
158.99631	14.3
159.09181	7.5
161.01239	11.4
161.02953	78.8
162.99173	15.7
163.02756	15.4
163.04327	5.3
165.00697	7.1
173.02980	44.9
175.02692	5.5
175.04398	12.3
175.08685	10.9
175.11909	6.0
176.42490	4.7
177.00714	18.8
177.02235	6.4
179.02271	5.3
183.01750	4.7
185.01311	4.7
185.02939	13.6
186.07581	5.6
187.00841	9.7
187.04507	5.5
187.06108	4.2
189.00688	12.5
190.98607	16.6
191.02328	8.9
191.03967	19.0
191.05533	5.2
193.00179	4.2
193.01744	5.6
193.05470	5.2
200.04373	4.9
201.00655	9.3
203.04070	19.6
205.00285	7.2
205.01956	22.7
205.03761	8.5
207.01659	6.5
207.06529	5.2
208.99704	32.6
211.02803	12.0
213.04248	4.0
215.00433	9.0
217.03752	4.7
219.01770	17.3
221.05049	11.9
223.01186	16.7
225.02798	5.7
227.00764	6.8
235.03015	5.0
237.02777	29.9
241.02290	5.5
245.05101	12.4
245.09200	6.1
247.03014	14.6
261.08597	10.2
263.06161	9.6
265.06052	8.1
271.12857	8.0
288.98645	6.6
289.08224	6.6
307.07382	51.4
307.15903	14.8
308.14081	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	307.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.2
56.05015	1.8
56.96563	41.2
57.03419	2.4
69.03420	5.6
69.07072	1.8
70.06595	15.7
70.76634	3.8
71.04991	2.1
71.95249	2.3
72.08137	5.6
73.02901	1.9
74.06077	2.1
81.07046	1.5
82.79285	1.3
84.04513	2.2
84.08145	10.4
84.95674	1.1
84.96043	12.1
85.02902	9.3
86.09682	4.1
87.04445	1.6
96.04494	1.4
97.02881	6.7
98.97588	100.0
99.04439	2.1
99.55828	1.4
100.99139	2.5
101.00862	1.9
102.96949	1.3
105.03388	1.7
109.02868	1.5
110.07166	3.9
110.97574	24.1
112.99115	4.7
114.05511	1.6
116.07089	2.0
116.98620	50.6
119.01900	5.9
124.99116	2.7
127.03905	2.6
128.10564	1.8
128.97699	2.3
128.98613	29.6
129.10246	2.8
131.00153	7.4
131.01932	1.4
133.01724	1.8
133.03499	1.7
134.99660	18.1
140.00203	1.9
140.98587	5.4
143.00197	12.2
143.01881	2.0
144.98073	4.4
145.01744	2.3
146.99652	14.0
149.01196	3.2
152.98598	9.2
153.00659	1.7
158.99660	14.7
161.01199	10.9
161.03009	2.5
161.04585	1.2
162.99190	2.9
163.02774	5.4
165.00789	2.5
170.99661	12.8
173.01314	2.4
173.02985	2.6
174.13239	1.4
177.00748	13.4
177.04182	2.9
179.02281	1.8
186.04118	1.5
189.00745	7.2
191.02243	3.4
195.01596	1.9
196.54684	7.2
201.00735	3.2
205.03769	1.5
208.43665	1.3
219.01776	26.2
237.02820	45.4
247.04906	8.9
250.97571	1.7
255.03845	3.9
261.02966	3.0
261.08047	1.4
265.05963	94.5
279.13257	1.5
283.07040	23.6
288.07590	4.6
290.16553	1.8
293.05313	1.5
295.06989	1.6
306.08597	1.9
307.06995	68.4
307.10303	4.1
307.15881	2.3
308.07275	1.9
325.08167	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47558	0.3
58.02948	0.5
67.05502	0.4
67.93565	0.3
69.07060	1.3
69.29195	0.4
70.05476	1.8
79.05486	0.8
81.07021	0.4
84.08146	0.4
91.05450	0.5
94.04190	2.2
105.07024	0.5
107.08586	0.7
109.06511	0.5
109.10205	1.0
122.03653	6.2
133.10083	0.6
135.11690	1.7
137.05977	100.0
138.06319	1.1
153.12750	1.3
164.76674	0.4
170.15390	1.8
182.15392	1.8
209.92082	0.4
212.73502	0.4
225.24225	0.4
260.72165	0.4
306.20587	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1601
Annotation	Vasicolinone
Peak:m/z	Relative Intensity
53.03947	0.4
55.05505	0.5
60.04522	0.2
60.13747	0.2
65.03941	0.7
67.05492	0.5
69.03398	0.2
69.07069	0.4
69.78919	1.1
70.06595	6.2
71.04968	0.2
77.03909	0.2
79.05496	2.8
81.07046	0.7
84.08136	0.3
89.03927	0.3
91.05483	6.0
92.20145	0.2
93.07044	0.6
94.07373	0.3
95.04972	0.8
95.08595	0.6
96.08882	0.3
96.75527	0.2
98.20842	0.4
104.04952	0.4
105.03392	0.8
105.07093	0.3
105.97355	0.2
106.06561	9.9
107.04945	0.5
107.08583	0.6
109.06515	1.5
109.10149	0.5
115.05432	0.2
116.04984	5.5
117.05759	0.7
118.06557	2.6
119.06065	0.5
119.08585	0.4
120.08099	3.0
120.08863	0.4
121.02879	0.7
123.11660	0.2
124.05174	0.4
130.06532	10.9
131.07166	0.3
131.08574	0.2
132.04449	0.8
132.08096	2.6
134.06020	100.0
135.06367	2.0
136.68388	0.2
137.05960	0.6
144.04443	4.6
144.08083	1.1
145.07599	0.5
146.05998	3.0
148.07547	1.1
154.06525	0.5
157.07661	0.3
158.05997	0.5
160.10030	0.3
161.10765	0.7
163.12332	0.3
170.08423	0.2
171.09172	4.8
172.07585	0.3
173.10744	1.5
174.07860	1.0
175.08664	4.2
177.00874	0.2
177.10236	0.6
179.03493	0.3
181.04959	0.5
189.10223	7.9
199.08698	1.3
206.04454	0.3
206.09644	0.3
208.06062	0.9
220.11345	0.5
231.09224	0.5
232.07683	0.5
232.09943	2.7
233.10400	0.3
235.12315	0.3
246.11496	0.4
247.12314	10.5
248.10716	0.5
248.99628	0.2
249.13689	0.3
260.09357	1.1
263.11807	0.3
272.11874	0.5
275.11795	12.1
276.12094	0.8
288.14975	4.7
306.16013	18.1
307.09622	0.7
307.16318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01871	0.9
55.05508	2.7
55.93532	0.8
56.05030	5.5
56.96297	1.3
56.96564	14.3
57.03434	2.9
58.06590	1.2
60.04522	26.5
60.05644	2.1
61.01143	1.3
61.02924	2.0
67.05496	1.6
68.05030	1.8
69.03434	7.9
69.07063	2.5
70.02946	1.7
70.06594	22.2
70.18499	1.8
70.18900	1.4
71.04994	2.0
72.04532	1.6
72.08156	10.3
72.93791	0.8
73.02898	1.9
74.06080	23.5
76.03979	1.4
79.05502	1.3
81.03417	4.5
81.04537	1.8
81.07056	1.4
82.05319	2.0
82.06584	1.1
84.04499	6.3
84.08147	16.8
84.96036	2.2
85.02911	11.9
85.03993	0.7
85.06556	1.7
85.08493	1.4
86.06058	1.4
86.09705	78.6
87.04469	2.0
87.05593	14.8
87.10025	1.2
88.03997	2.5
90.94785	1.2
91.05494	1.1
93.07016	1.3
95.04969	2.1
95.06099	1.9
95.08612	1.2
97.02887	6.4
97.48174	0.8
98.06069	4.5
98.97576	13.4
99.04444	2.6
99.97927	1.2
102.05543	3.1
104.05330	0.8
104.07118	0.8
105.03373	2.2
106.05037	3.2
107.04964	1.5
109.02869	2.2
110.06066	1.1
110.07179	6.9
110.09697	1.6
110.97566	1.5
111.04446	1.0
112.07578	0.9
112.08759	2.1
112.11233	1.0
114.05547	1.1
115.08712	2.5
116.07105	9.8
116.98621	11.7
118.08683	1.1
119.01688	0.8
119.04932	1.5
120.06583	3.3
120.08076	1.8
121.34267	0.8
122.07162	9.6
123.08008	1.7
124.03982	1.1
126.05460	0.9
127.03101	0.7
127.03884	4.4
128.10722	8.8
128.98622	2.8
129.10255	5.5
130.05037	1.6
130.06511	4.0
130.08623	1.5
131.00127	1.3
132.04459	1.2
132.10216	1.5
134.99663	5.0
136.06197	1.1
136.07600	2.0
137.05962	2.2
140.07109	1.6
140.08179	1.2
143.00165	1.9
143.08171	1.1
144.04759	4.5
144.06541	3.7
144.10220	1.6
144.95840	0.9
144.98148	1.2
145.01758	0.8
145.04985	1.6
146.06006	1.3
146.99670	2.7
147.04518	1.0
147.07675	1.8
147.11285	0.8
149.01215	1.3
150.00865	1.2
153.10242	0.8
155.04634	1.7
155.11783	0.8
157.07628	2.7
158.01320	1.2
158.06017	3.5
158.99614	3.6
161.01212	2.5
161.03003	1.0
161.04729	0.9
161.09235	2.2
162.07594	1.2
162.99228	1.5
164.08211	8.7
168.03462	0.9
168.05344	1.3
173.01201	1.0
173.12856	100.0
174.13240	2.2
175.07291	1.6
175.08640	1.7
175.11903	2.7
177.00722	4.3
177.03220	1.7
177.05641	1.0
179.54393	0.9
188.54982	1.5
189.00725	1.7
189.08707	2.1
191.02254	1.2
191.03900	1.3
191.05626	1.1
201.00691	1.0
201.04384	0.9
201.12347	27.7
201.14235	1.4
203.02225	1.7
203.06670	0.9
205.11824	1.1
219.01775	3.3
219.05183	0.9
219.13437	2.0
222.49043	0.8
223.01250	1.1
225.07137	1.4
226.07837	1.4
234.99025	2.7
237.02737	5.0
254.06902	0.8
261.08765	1.9
264.10730	1.2
265.05911	1.8
271.02667	1.2
279.07150	0.9
283.06354	1.6
288.10593	1.1
288.15524	4.6
289.13214	0.9
306.16156	6.6
307.07489	1.2
307.12503	3.1
309.08502	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	306.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.05493	0.6
56.05038	2.3
57.03418	0.8
60.04515	0.5
67.05507	0.9
68.99786	0.6
69.03415	1.9
69.07056	0.5
70.06592	4.0
71.51946	0.9
72.08123	1.4
74.05683	1.0
74.06081	19.2
81.03397	1.1
81.07056	1.1
84.04476	1.6
84.08126	2.3
85.02890	2.2
86.09682	1.4
91.05495	1.0
93.07019	0.6
97.02875	1.3
98.06029	1.2
102.05511	1.9
102.06102	0.4
103.05455	1.1
105.03379	1.0
105.06959	0.7
109.02871	1.2
110.06042	0.5
116.06339	0.9
116.07084	8.8
120.06582	5.9
120.08098	3.2
120.08832	0.6
127.03906	0.8
129.10233	0.7
130.06488	0.9
136.07558	0.5
137.05981	0.7
143.03658	1.2
144.04503	0.5
144.05569	0.6
144.06573	6.9
145.02852	0.6
146.05936	0.7
147.04384	1.3
158.06023	1.9
162.07607	2.5
162.08998	1.0
170.06000	0.7
171.03128	2.4
173.04723	7.3
176.03432	3.7
176.07040	1.6
184.03902	0.5
186.05498	33.5
187.05850	0.9
188.07037	1.4
201.04189	7.2
204.06566	1.2
213.12463	0.8
214.04991	100.0
215.05385	2.3
216.06557	18.0
217.06851	0.8
218.08122	0.8
229.03798	0.6
232.06108	0.9
242.04488	31.1
244.06053	15.1
246.11430	0.7
260.05542	49.4
261.05923	1.0
261.08667	0.5
262.07141	6.7
264.10828	0.7
283.07166	0.6
288.05023	77.3
289.05408	1.9
306.06073	6.6
306.09344	0.9
306.12915	0.9
306.20834	0.7
319.63394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03928	4.1
55.01868	3.9
55.05507	27.6
57.03439	4.3
57.07073	11.9
59.04988	5.9
65.03913	3.5
67.05141	2.1
67.05499	36.9
69.03417	8.8
69.07067	38.3
69.20525	20.6
70.06579	14.2
71.04987	21.1
71.08614	5.5
74.06082	3.7
79.05490	33.6
80.06726	1.9
81.03422	3.7
81.07055	100.0
83.04984	14.8
83.08607	12.3
84.08141	2.6
85.06529	8.8
88.07619	5.4
91.05476	25.9
93.07044	93.5
95.04955	16.2
95.08605	83.7
97.06546	11.4
97.10161	12.2
99.08086	11.0
103.05389	2.0
105.07032	44.9
107.04930	2.6
107.08590	89.7
109.06530	12.9
109.10156	58.7
111.08051	6.9
111.11726	5.8
113.09649	4.2
115.37540	2.2
117.07005	4.8
119.08576	41.6
121.06524	3.6
121.10140	60.6
123.08064	4.3
123.11712	35.4
125.06028	2.7
125.09628	13.9
127.07526	5.3
127.11208	15.0
129.06985	3.8
131.08557	11.7
132.10159	3.4
133.10124	29.8
135.08022	6.1
135.11690	38.9
137.09589	10.1
137.13222	13.5
139.11165	8.5
143.08543	4.5
143.10660	9.3
145.10124	25.4
146.11737	6.4
147.11678	34.8
149.02330	2.4
149.09625	5.4
149.13255	55.8
151.11163	5.2
153.12782	5.4
155.10638	3.6
157.10121	8.6
159.11670	23.9
161.13257	17.0
163.11177	7.7
163.14841	10.7
165.12717	7.4
169.12303	2.5
171.11635	7.2
173.13278	10.1
175.14810	8.5
177.12729	4.8
177.16418	5.5
179.14386	2.8
185.13228	3.7
187.14809	6.3
189.16342	11.7
191.18103	2.2
192.60580	2.1
199.14832	6.6
200.20102	8.6
201.16400	27.4
203.17975	12.2
205.04825	3.0
205.15996	3.0
205.19586	2.3
213.16402	7.7
215.17969	6.3
217.15895	2.7
219.17427	8.0
223.16963	2.4
227.17973	2.2
229.19502	5.1
231.17467	5.5
244.22733	23.8
249.18532	3.7
259.24213	6.5
269.22632	17.2
287.23642	29.8
305.05377	4.9
305.10678	3.1
305.14133	4.4
305.17532	5.8
305.21359	2.1
305.24725	60.6
305.28189	4.4
306.26413	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2473
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03930	4.7
55.01865	4.2
55.05511	26.1
56.69160	1.3
57.03426	4.7
57.07074	12.3
58.76979	1.5
59.04992	5.3
65.03928	3.7
67.05505	36.5
69.03437	9.4
69.07066	40.3
70.06596	15.0
71.04989	13.9
71.08632	3.6
71.53213	2.9
72.08153	3.6
74.06062	3.2
79.05492	28.3
81.03413	3.2
81.07055	100.0
83.04984	16.0
83.08614	10.1
84.08134	4.0
85.06551	8.6
86.09715	4.2
88.07629	6.1
89.06022	1.5
91.05477	22.6
93.07042	69.4
95.04974	21.3
95.08604	78.6
97.06516	10.3
97.10159	9.5
99.04433	2.1
99.08076	5.7
100.04143	1.7
102.09187	3.2
103.05457	1.6
105.07028	40.1
106.07397	1.5
107.04947	2.3
107.08594	60.6
109.02887	2.7
109.06529	12.7
109.10156	56.5
110.10493	2.2
111.04424	2.3
111.08075	12.1
111.11714	5.6
113.09676	2.3
114.82445	1.7
115.07571	2.5
116.98625	2.3
117.07027	5.8
119.08583	36.8
121.06482	5.4
121.10145	56.9
123.08065	4.5
123.11705	33.7
125.09622	10.3
127.07568	2.5
127.11210	6.6
129.06985	2.4
130.07785	1.7
131.08560	10.3
132.10226	5.1
133.10135	23.8
135.08064	4.4
135.11691	35.9
137.05957	2.6
137.09636	7.5
137.13243	13.4
139.07535	2.1
139.11188	7.9
143.08565	5.8
143.10669	4.7
144.06636	1.8
144.08067	2.1
145.10118	17.3
146.11774	6.4
147.08069	1.8
147.11682	20.6
149.05940	2.0
149.09596	4.0
149.13249	31.3
151.11174	7.1
151.14784	2.8
153.12683	2.8
155.10680	1.9
157.10110	5.8
159.11702	14.4
161.09621	2.6
161.13263	10.3
163.11185	7.1
163.14845	7.4
165.12770	7.3
167.10669	6.0
169.10118	2.2
171.11745	5.1
173.13298	8.2
175.11137	2.0
175.14812	7.0
177.12735	5.8
177.16396	6.6
179.14308	2.5
181.12271	4.0
185.13196	2.8
187.14828	4.3
189.12680	2.5
189.16324	7.9
191.14313	2.1
193.12190	2.3
193.15900	3.0
195.13808	3.0
199.14821	4.8
200.20122	13.5
201.16399	15.6
203.17982	5.4
205.04883	1.9
205.15840	2.9
205.19473	2.7
213.16394	3.7
215.17986	2.2
217.08707	2.5
217.15977	1.9
217.19397	1.9
219.17433	4.4
221.19084	1.9
223.16959	2.0
227.17984	3.2
229.19421	3.1
231.17473	2.1
243.21257	2.2
244.22755	24.4
245.22638	4.1
249.18506	2.6
257.22458	1.5
259.24356	7.4
269.22687	10.7
287.23630	27.3
305.10559	3.3
305.14111	3.2
305.17477	5.3
305.24741	57.3
306.26398	75.7
318.43066	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1746
Annotation	3-Polyprenyl-4-hydroxy-5-methoxybenzoate
Peak:m/z	Relative Intensity
53.03936	0.9
55.01863	1.1
55.05513	1.5
56.96561	0.8
57.03429	0.4
61.22668	0.3
65.03934	0.5
65.59861	0.3
67.01862	3.4
67.05181	0.4
67.05505	5.2
68.99788	1.2
69.07067	2.3
70.51843	0.3
71.04966	0.4
71.53596	0.4
79.05486	2.6
81.07047	2.8
83.04969	0.9
83.08606	0.7
89.20470	0.3
91.05488	1.9
93.03391	0.6
93.07046	2.5
95.04382	0.5
95.04969	7.8
95.08617	2.5
97.06520	0.5
105.06367	0.4
105.07018	2.1
107.04933	1.6
107.08611	1.4
109.02848	0.3
109.06517	1.7
109.10158	1.0
111.11694	0.8
117.07028	0.7
119.08568	1.2
121.02857	1.4
121.06501	0.5
121.10130	0.8
123.08039	0.3
123.11735	0.5
129.06978	0.4
131.08533	1.2
133.06427	0.4
133.10118	0.7
135.04404	2.9
135.08072	1.9
135.11681	0.7
137.05956	0.9
139.03903	7.6
141.01871	0.6
143.08540	0.8
145.10109	0.8
147.08014	0.4
147.11713	0.6
149.09572	0.7
149.13290	0.4
157.10103	0.5
159.11694	0.8
163.03905	39.0
164.04224	0.8
171.11685	0.3
175.03810	0.3
177.04347	0.8
177.05632	0.4
181.04955	100.0
182.05296	1.8
182.82574	0.3
185.13179	0.3
195.06711	2.1
206.81427	0.3
221.15370	0.5
273.18536	2.0
305.17538	1.7
305.21283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
55.01852	4.2
55.05511	24.7
57.03421	2.4
57.07072	2.9
57.66890	1.5
59.04990	4.9
64.76492	1.3
67.05183	1.4
67.05502	29.6
69.03427	3.5
69.07070	17.5
69.28282	1.3
69.85388	6.0
70.06576	2.1
71.04989	2.0
73.06506	2.0
79.05493	36.9
81.03398	1.4
81.06589	2.8
81.07056	51.1
82.07381	1.5
83.04971	3.9
83.08607	8.3
85.06538	5.6
91.04913	2.5
91.05478	47.6
93.06487	2.5
93.07046	42.9
94.07404	1.3
95.01318	1.5
95.04986	8.6
95.08607	25.6
97.06522	5.2
97.10177	8.7
98.06062	2.4
99.08102	2.2
103.05468	2.8
104.06168	1.6
105.07035	38.9
107.04922	3.6
107.08595	23.4
109.06513	8.2
109.10146	6.1
111.08070	2.7
111.11719	1.4
115.05450	2.9
116.06244	2.6
117.07012	18.9
119.04979	1.8
119.08574	20.0
120.04440	1.9
121.06509	7.5
121.10142	15.8
123.04429	2.0
123.08060	6.3
123.11679	2.5
125.09610	4.5
128.06204	6.5
129.07008	14.0
130.07788	6.4
131.04947	6.9
131.07599	2.6
131.08563	45.9
133.06505	3.6
133.10152	13.4
135.04330	2.3
135.08049	6.0
135.11674	7.8
137.05965	13.7
137.09590	3.3
139.11174	5.3
141.06989	2.3
142.07814	2.1
143.07520	2.8
143.08562	33.6
144.08038	3.2
145.06445	2.0
145.10124	40.0
147.04460	6.7
147.08026	5.6
147.11665	6.5
149.09592	5.6
149.13254	2.5
155.08554	3.1
157.10123	11.3
159.04398	3.7
159.08073	2.0
159.11681	12.0
161.09610	9.1
161.13264	2.4
163.03940	2.5
163.11128	4.2
165.06996	1.9
169.10123	6.4
171.11681	9.4
173.13289	2.6
175.03902	5.8
175.11168	4.2
177.05437	6.0
178.06169	2.7
181.10086	7.5
183.11642	5.4
185.13228	4.3
187.11137	3.3
188.04688	21.7
189.12753	2.9
195.11688	6.4
197.13222	1.8
199.11171	3.3
202.06207	1.7
203.03407	31.0
203.08492	1.7
203.14290	1.7
205.04970	3.1
206.05745	4.1
209.13266	3.2
213.12799	1.9
213.16423	2.3
220.07141	1.5
221.08072	17.5
227.17894	1.7
231.14034	1.7
233.04457	1.5
237.16409	8.5
245.09613	1.8
245.19058	3.4
248.06830	2.1
249.07585	100.0
250.07880	4.2
255.17461	8.0
263.09036	17.9
273.18469	20.1
277.12067	1.7
287.20001	4.5
305.10245	11.6
305.13879	38.2
305.21490	9.3
305.26874	21.4
305.31470	11.8
306.10471	1.7
306.14160	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	305.1648
Annotation	MCB-613
Peak:m/z	Relative Intensity
52.41825	0.2
53.03952	0.4
67.03888	0.3
69.07079	0.4
69.74651	1.3
77.03925	0.4
78.26670	0.2
91.05482	1.8
95.04980	0.7
103.05467	29.1
107.08574	0.3
115.05450	0.8
117.05713	0.4
117.07017	3.1
118.06548	0.3
119.08601	0.3
129.07027	0.5
131.04929	79.5
132.05266	1.3
132.08087	5.8
143.07289	2.0
144.08084	100.0
145.06505	0.6
145.08401	1.4
155.06105	0.4
162.09143	3.2
173.10713	0.6
175.12314	17.5
176.12560	0.3
188.10704	0.8
231.10452	0.5
234.12837	0.4
246.12912	0.3
262.12283	3.0
274.12247	4.7
305.16516	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	305.1593
Annotation	Creoside I
Peak:m/z	Relative Intensity
55.01859	8.5
55.05490	9.8
56.05025	7.2
57.03424	6.5
61.02909	9.1
67.05511	6.9
69.03422	30.3
69.07052	5.1
70.06575	16.1
70.77409	10.2
71.04993	44.6
72.08138	7.8
73.02914	4.6
73.06562	5.4
74.06082	50.3
79.05515	9.0
81.03390	9.0
81.07043	13.5
83.04962	7.7
83.08614	7.8
84.04513	4.7
84.08145	9.4
85.02908	38.3
85.06530	16.8
86.09703	6.5
87.04440	5.0
91.05474	5.9
93.06971	4.2
95.04963	41.0
95.08599	7.4
97.02865	15.8
97.10149	9.3
98.06008	5.8
98.97596	8.1
99.04462	4.1
102.05579	5.1
103.03913	5.9
105.07032	5.9
107.08592	68.3
107.48838	4.3
109.02879	4.4
109.06529	4.9
109.10146	6.1
116.07085	14.5
120.06570	7.7
121.06494	7.3
121.10161	5.7
123.04472	4.4
123.08029	5.2
125.09620	100.0
127.03927	7.7
129.10240	5.8
133.10167	5.3
136.06195	20.6
137.05977	8.0
137.09610	11.5
143.10667	80.1
143.11658	2.9
144.06534	13.3
145.04988	7.1
149.09624	4.5
162.07571	5.4
167.10661	36.0
175.67705	3.9
179.10667	4.3
189.74135	4.1
191.10684	4.9
203.10631	4.9
209.11758	6.7
245.04399	4.3
259.09879	5.5
264.10767	7.6
269.13498	4.4
277.21552	4.7
287.14252	5.1
305.14740	5.5
326.05948	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	305.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33158	0.5
53.03925	0.5
53.16212	0.5
53.90559	0.5
55.05509	0.5
56.96556	0.6
57.07077	0.9
67.05510	0.9
69.07059	1.4
71.05003	0.6
71.53308	0.9
79.05479	0.9
81.07050	2.4
91.05481	2.0
93.07037	1.2
93.16073	0.5
95.04957	1.3
95.08594	2.0
103.05465	22.5
105.07039	0.9
107.08586	1.1
109.10143	0.8
115.05476	0.5
117.07021	3.1
118.06542	0.7
119.08550	0.6
120.04459	1.0
121.10110	0.7
123.11743	0.5
128.04947	0.5
131.04930	49.5
132.04437	1.3
132.08087	12.8
133.10013	0.6
135.08014	0.6
137.13249	0.6
143.07294	1.9
143.08455	0.6
144.08081	100.0
145.08408	1.5
146.06001	1.2
155.06024	0.7
160.03955	0.7
162.09140	4.4
163.03880	0.8
172.03883	1.3
175.12309	35.4
181.04956	2.6
203.03419	0.6
205.04985	0.6
245.12041	0.6
249.11070	0.6
259.08801	1.0
262.12253	1.7
274.12268	1.8
287.08221	0.6
305.08972	1.6
305.16525	6.9
305.21100	1.1
305.24258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96302	4.0
56.96569	59.0
69.03431	8.8
70.06586	8.5
70.29106	13.6
70.98124	9.2
72.08156	6.6
81.04537	20.2
84.08141	13.5
84.96032	5.3
85.02911	16.1
95.06090	11.8
97.02894	5.4
97.08360	3.2
98.97582	69.1
98.98203	5.4
110.97592	8.4
112.99127	5.4
115.30954	3.3
116.98603	34.8
119.01900	10.8
124.95549	4.5
124.99131	10.0
125.07131	15.9
128.98624	14.7
129.10226	5.6
131.00165	6.0
131.01886	3.3
134.99617	10.6
140.00128	3.3
143.00150	26.1
143.01952	5.6
143.08160	86.8
144.10223	10.4
145.01770	3.7
146.99681	7.5
151.02734	3.5
155.01961	7.1
158.99673	12.0
161.01236	56.7
161.02902	13.4
172.97530	3.7
173.02921	4.5
175.98175	3.4
177.00734	13.8
177.04216	4.0
179.02330	14.5
185.01273	16.6
185.02890	4.3
186.51848	3.4
186.99207	3.9
188.97023	5.6
189.00708	9.6
191.02321	8.4
193.00220	6.7
203.02286	52.5
203.04073	6.6
205.00273	7.0
206.98082	4.0
207.01817	9.3
215.05635	3.8
215.07625	6.1
219.01797	8.8
221.03299	9.1
221.05121	5.7
223.01175	4.0
230.98091	6.3
232.99803	5.0
233.03198	4.0
237.02884	10.1
245.03069	5.2
245.05176	6.4
246.03893	3.3
248.99193	4.8
263.00787	9.2
263.04407	7.5
281.01776	11.3
293.58759	3.7
305.06171	34.8
305.12000	100.0
323.06464	13.5
323.09845	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	305.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.4
55.05494	1.7
57.07063	2.5
59.04990	3.9
65.03931	1.6
67.05181	1.2
67.05506	15.2
69.03422	1.9
69.07045	2.6
70.06557	1.2
71.53522	1.4
74.20443	0.9
79.05480	2.7
81.03416	26.2
81.07050	4.2
84.42825	1.1
88.07638	1.3
91.05483	5.4
93.07025	4.0
95.01353	6.9
95.04965	48.4
95.08585	2.8
96.05313	1.2
105.07024	3.6
107.04955	1.3
107.08579	1.4
109.02888	1.1
109.06506	2.8
117.06998	2.3
119.04939	1.0
119.08629	2.1
121.06483	1.0
121.10119	1.5
123.04469	1.0
123.08078	1.0
128.06186	1.4
129.06999	1.9
131.04916	4.5
131.08531	2.3
135.07993	1.9
137.05949	2.6
141.06958	1.0
142.07771	1.6
143.08537	2.3
145.06477	3.6
145.10136	2.8
147.04404	10.9
147.08055	1.0
147.11681	1.6
152.06227	1.5
153.06990	3.4
154.07765	1.5
155.08551	2.7
157.06494	2.3
157.10135	3.6
158.57076	0.9
159.04405	5.0
159.08020	1.6
161.05933	1.5
165.06996	5.2
166.07753	3.0
167.08585	5.1
169.10114	3.4
170.32832	0.9
171.08055	2.2
175.03830	1.2
178.07739	1.8
179.08606	5.6
180.09306	1.8
181.06461	2.4
181.10149	6.8
182.07204	4.7
183.08038	4.7
183.11650	1.7
189.06985	1.5
190.07803	1.0
191.08594	4.6
192.09309	6.2
193.10199	5.4
194.10835	1.1
195.08041	18.1
195.11748	7.6
196.08795	1.5
196.12505	1.3
197.09604	2.5
199.11148	1.3
202.07756	6.6
203.03394	46.5
203.08501	5.3
204.03752	1.1
204.09343	3.5
205.06456	3.4
205.10056	5.2
206.07150	1.2
206.10864	3.1
207.08043	2.6
207.11736	6.6
208.08798	2.0
209.09604	12.2
209.13181	2.2
210.10321	4.0
210.13960	1.3
211.11206	4.1
215.08571	2.7
216.09373	3.5
217.10162	7.3
218.07248	1.1
218.10931	2.8
219.08078	8.4
219.11678	6.7
220.08841	6.3
220.12457	3.0
221.09590	5.8
221.13286	1.6
222.10355	2.0
223.11221	4.6
229.10172	6.0
230.10725	2.3
231.07971	3.0
231.11749	4.4
232.08818	2.0
232.12216	1.0
233.09607	7.0
233.13208	3.5
234.10292	3.5
234.13927	2.3
235.07474	1.3
235.11211	13.3
235.14806	3.3
236.11938	2.1
237.12831	4.3
241.09990	1.0
243.11627	1.9
244.08803	2.1
244.12418	4.4
245.09618	10.2
245.13199	2.6
246.10364	5.1
247.07591	8.5
247.11215	8.1
248.08270	3.9
248.11931	2.5
249.09218	2.0
249.12698	2.3
257.09509	3.3
259.11108	4.8
259.14938	4.4
261.09357	5.0
261.12683	8.1
262.09952	7.7
262.13528	5.2
263.10681	51.8
263.14139	5.3
264.11038	1.3
271.11279	1.1
272.11838	3.9
273.18698	1.6
275.10602	7.1
275.13864	1.3
276.11374	2.1
276.14725	1.4
277.12357	3.6
277.15820	16.2
287.11172	1.6
287.14258	10.7
290.09653	1.7
290.12872	7.2
291.13629	2.9
304.31195	6.8
305.09796	16.5
305.15292	100.0
305.18756	4.3
305.31424	10.3
306.12720	1.4
306.15784	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	305.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01869	2.3
55.05492	1.8
56.05035	5.7
56.96569	100.0
57.03437	6.2
57.35336	1.0
58.06617	1.8
60.04537	1.6
60.95844	1.5
61.02919	4.2
67.05503	2.7
69.03427	11.7
69.07064	1.4
70.06596	13.4
70.98127	12.9
71.05009	1.9
71.06921	1.9
71.95256	4.1
72.08157	7.4
72.96066	1.6
73.02918	6.0
73.08486	1.9
74.06065	2.5
74.97604	4.7
79.05473	2.2
79.68683	1.0
81.03406	3.8
81.04542	18.6
81.07050	5.0
83.06100	2.0
84.04494	4.4
84.08154	18.9
84.96043	9.2
85.02430	1.9
85.02905	23.1
85.08480	1.6
86.06069	1.8
86.09694	4.6
86.97594	1.1
87.04484	2.2
87.10035	1.6
88.47799	1.1
88.99161	8.1
90.45686	1.2
91.05470	1.3
92.34035	1.1
95.04962	2.8
95.06102	15.0
95.08685	1.4
96.08125	1.2
97.02891	11.2
97.06546	1.0
97.99171	1.7
98.97588	88.5
99.04465	2.8
100.99161	3.1
101.00903	5.2
103.02472	1.7
104.10758	1.8
105.03387	3.3
105.07069	1.2
107.00204	1.5
109.02873	4.4
109.06504	1.5
110.07210	1.8
110.97573	12.5
112.05080	2.4
112.99139	6.1
114.05534	3.6
115.00740	1.8
115.05894	1.7
116.07074	4.8
116.98624	57.1
119.00204	1.8
119.01915	18.6
119.04915	1.5
121.01627	1.4
121.03515	1.2
124.07564	2.8
124.95468	2.5
124.99046	3.0
125.07121	24.2
125.08017	1.5
127.03970	6.5
128.98611	19.9
129.03970	1.3
129.10254	9.3
130.05037	1.3
130.08621	1.5
130.93272	1.6
131.00189	12.2
131.01895	7.2
132.02040	1.4
133.01746	5.3
133.03479	3.3
134.02234	1.8
134.99664	26.8
136.00806	1.1
136.07536	1.3
137.02873	3.6
138.09134	1.5
140.00212	2.8
140.98593	3.7
141.06587	1.9
142.96512	7.1
143.00171	10.4
143.01895	6.9
143.08157	92.6
144.10202	1.5
144.98096	9.0
145.01721	2.3
145.03467	5.0
145.04906	2.3
146.99661	17.9
147.01404	3.2
147.04361	1.5
148.97546	1.6
149.01231	14.3
149.03036	1.7
149.06522	1.5
151.02742	1.2
153.00682	3.2
155.01865	4.5
156.98016	2.3
157.01746	2.0
157.03462	5.5
158.01221	1.9
158.99669	18.4
159.03168	1.5
159.05011	1.5
160.97575	7.7
161.01221	18.1
161.02943	22.5
162.99165	14.3
163.02786	3.2
163.04506	1.2
165.00705	4.2
167.02277	3.4
170.03377	1.8
170.95998	1.8
170.99582	6.3
172.94362	1.4
172.97594	5.3
173.01234	12.1
173.02959	10.6
174.99135	7.9
175.02744	4.1
175.04521	4.5
177.00722	26.9
177.04205	2.4
179.02327	5.8
179.05859	1.4
181.00291	6.2
184.02943	1.4
184.04564	1.4
184.97557	3.8
185.01225	4.4
185.02960	4.0
185.04593	1.3
185.06679	2.1
185.09215	4.2
186.09526	6.0
186.99194	4.8
187.04562	2.8
188.97101	9.1
189.00720	18.9
189.02351	2.2
190.03885	1.7
190.95427	1.8
190.98642	11.3
191.00249	1.4
191.00574	1.6
191.02304	18.4
191.03957	3.3
193.00192	10.2
193.03813	1.5
195.01778	3.2
199.01056	1.5
200.02324	2.2
200.04332	2.1
201.00710	7.3
201.02428	2.5
201.04501	1.5
202.98650	14.3
203.02257	17.0
203.04012	5.4
203.05865	2.7
203.07664	2.0
205.00209	16.9
206.04440	7.9
206.98193	8.3
207.01733	20.1
207.03346	1.7
208.99646	3.8
211.01158	2.6
214.03896	2.7
214.98622	2.6
215.04945	11.8
215.07712	2.1
215.55101	1.2
216.03374	1.3
217.00226	2.5
219.01799	16.7
220.99754	7.8
221.03308	3.5
223.01251	24.3
224.01572	1.6
225.02713	2.0
230.03394	1.9
230.98157	8.5
232.04836	1.5
232.96429	1.6
232.99663	7.9
233.03224	2.7
233.05179	3.3
235.01259	3.1
235.56152	1.2
237.02780	13.3
237.13333	1.3
238.13625	3.1
239.00600	1.4
241.02318	4.4
243.03571	2.5
244.99739	8.3
245.05373	6.2
248.96127	1.3
248.99130	6.6
249.02873	1.7
250.97685	1.6
255.04063	2.4
255.14409	2.5
256.14557	6.0
263.00714	12.2
263.03934	1.5
281.01791	9.1
282.12418	1.8
286.02414	1.3
287.10022	2.4
287.14099	7.2
300.13553	4.0
305.01828	2.9
305.05865	9.3
305.11844	36.5
305.17975	2.5
322.95892	1.5
323.06503	5.6
323.09775	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2634
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
53.03939	0.5
55.01865	0.8
55.05278	0.6
55.05514	7.0
57.07085	0.7
61.57759	0.3
65.03915	1.0
67.05505	18.5
69.07069	6.1
70.06570	0.6
71.08630	0.4
79.05497	7.1
81.07056	13.8
83.08608	1.5
85.05289	3.5
86.06061	1.1
88.07618	0.6
91.05489	2.8
93.07042	5.6
95.04945	0.6
95.07998	0.5
95.08606	9.6
95.17472	0.3
95.50909	0.3
97.06559	0.3
97.10155	0.3
98.06051	18.9
98.21480	0.6
99.06864	0.4
105.07038	1.2
107.08582	3.8
109.10162	3.6
110.09666	0.7
112.07631	2.2
116.62483	0.4
119.08576	0.9
121.10140	1.6
121.20441	0.3
123.11688	0.9
124.07581	0.4
126.09144	0.4
131.08565	0.7
133.10130	0.6
135.11690	0.8
138.09149	0.9
140.10690	1.0
147.11649	0.6
149.13280	0.6
152.10692	0.7
154.12315	1.0
166.12259	0.6
168.13809	0.8
182.15419	0.8
196.17014	0.8
197.35513	0.4
203.79521	0.4
208.16965	0.9
222.18454	0.9
234.18454	0.7
236.20200	0.5
248.20267	0.5
259.10825	0.3
287.23636	0.5
304.26343	100.0
305.26740	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	305.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01869	2.3
55.05492	1.8
56.05035	5.7
56.96569	100.0
57.03437	6.2
57.35336	1.0
58.06617	1.8
60.04537	1.6
60.95844	1.5
61.02919	4.2
67.05503	2.7
69.03427	11.7
69.07064	1.4
70.06596	13.4
70.98127	12.9
71.05009	1.9
71.06921	1.9
71.95256	4.1
72.08157	7.4
72.96066	1.6
73.02918	6.0
73.08486	1.9
74.06065	2.5
74.97604	4.7
79.05473	2.2
79.68683	1.0
81.03406	3.8
81.04542	18.6
81.07050	5.0
83.06100	2.0
84.04494	4.4
84.08154	18.9
84.96043	9.2
85.02430	1.9
85.02905	23.1
85.08480	1.6
86.06069	1.8
86.09694	4.6
86.97594	1.1
87.04484	2.2
87.10035	1.6
88.47799	1.1
88.99161	8.1
90.45686	1.2
91.05470	1.3
92.34035	1.1
95.04962	2.8
95.06102	15.0
95.08685	1.4
96.08125	1.2
97.02891	11.2
97.06546	1.0
97.99171	1.7
98.97588	88.5
99.04465	2.8
100.99161	3.1
101.00903	5.2
103.02472	1.7
104.10758	1.8
105.03387	3.3
105.07069	1.2
107.00204	1.5
109.02873	4.4
109.06504	1.5
110.07210	1.8
110.97573	12.5
112.05080	2.4
112.99139	6.1
114.05534	3.6
115.00740	1.8
115.05894	1.7
116.07074	4.8
116.98624	57.1
119.00204	1.8
119.01915	18.6
119.04915	1.5
121.01627	1.4
121.03515	1.2
124.07564	2.8
124.95468	2.5
124.99046	3.0
125.07121	24.2
125.08017	1.5
127.03970	6.5
128.98611	19.9
129.03970	1.3
129.10254	9.3
130.05037	1.3
130.08621	1.5
130.93272	1.6
131.00189	12.2
131.01895	7.2
132.02040	1.4
133.01746	5.3
133.03479	3.3
134.02234	1.8
134.99664	26.8
136.00806	1.1
136.07536	1.3
137.02873	3.6
138.09134	1.5
140.00212	2.8
140.98593	3.7
141.06587	1.9
142.96512	7.1
143.00171	10.4
143.01895	6.9
143.08157	92.6
144.10202	1.5
144.98096	9.0
145.01721	2.3
145.03467	5.0
145.04906	2.3
146.99661	17.9
147.01404	3.2
147.04361	1.5
148.97546	1.6
149.01231	14.3
149.03036	1.7
149.06522	1.5
151.02742	1.2
153.00682	3.2
155.01865	4.5
156.98016	2.3
157.01746	2.0
157.03462	5.5
158.01221	1.9
158.99669	18.4
159.03168	1.5
159.05011	1.5
160.97575	7.7
161.01221	18.1
161.02943	22.5
162.99165	14.3
163.02786	3.2
163.04506	1.2
165.00705	4.2
167.02277	3.4
170.03377	1.8
170.95998	1.8
170.99582	6.3
172.94362	1.4
172.97594	5.3
173.01234	12.1
173.02959	10.6
174.99135	7.9
175.02744	4.1
175.04521	4.5
177.00722	26.9
177.04205	2.4
179.02327	5.8
179.05859	1.4
181.00291	6.2
184.02943	1.4
184.04564	1.4
184.97557	3.8
185.01225	4.4
185.02960	4.0
185.04593	1.3
185.06679	2.1
185.09215	4.2
186.09526	6.0
186.99194	4.8
187.04562	2.8
188.97101	9.1
189.00720	18.9
189.02351	2.2
190.03885	1.7
190.95427	1.8
190.98642	11.3
191.00249	1.4
191.00574	1.6
191.02304	18.4
191.03957	3.3
193.00192	10.2
193.03813	1.5
195.01778	3.2
199.01056	1.5
200.02324	2.2
200.04332	2.1
201.00710	7.3
201.02428	2.5
201.04501	1.5
202.98650	14.3
203.02257	17.0
203.04012	5.4
203.05865	2.7
203.07664	2.0
205.00209	16.9
206.04440	7.9
206.98193	8.3
207.01733	20.1
207.03346	1.7
208.99646	3.8
211.01158	2.6
214.03896	2.7
214.98622	2.6
215.04945	11.8
215.07712	2.1
215.55101	1.2
216.03374	1.3
217.00226	2.5
219.01799	16.7
220.99754	7.8
221.03308	3.5
223.01251	24.3
224.01572	1.6
225.02713	2.0
230.03394	1.9
230.98157	8.5
232.04836	1.5
232.96429	1.6
232.99663	7.9
233.03224	2.7
233.05179	3.3
235.01259	3.1
235.56152	1.2
237.02780	13.3
237.13333	1.3
238.13625	3.1
239.00600	1.4
241.02318	4.4
243.03571	2.5
244.99739	8.3
245.05373	6.2
248.96127	1.3
248.99130	6.6
249.02873	1.7
250.97685	1.6
255.04063	2.4
255.14409	2.5
256.14557	6.0
263.00714	12.2
263.03934	1.5
281.01791	9.1
282.12418	1.8
286.02414	1.3
287.10022	2.4
287.14099	7.2
300.13553	4.0
305.01828	2.9
305.05865	9.3
305.11844	36.5
305.17975	2.5
322.95892	1.5
323.06503	5.6
323.09775	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0813
Annotation	5,8-Dimethoxymaculine
Peak:m/z	Relative Intensity
67.05512	0.7
69.03437	0.6
69.07072	0.9
69.56447	2.1
69.56880	2.1
70.06609	1.0
79.05515	0.6
81.07058	1.6
84.04462	0.6
84.08206	0.6
91.05475	1.1
91.80338	0.6
94.53247	0.6
95.04963	0.8
95.08618	0.8
96.51030	0.5
98.97587	0.5
107.08627	0.8
119.08563	0.9
126.60664	0.6
126.61607	0.6
134.99542	0.7
139.06029	0.5
145.06403	0.6
152.07843	0.5
154.27992	0.5
161.05960	0.7
163.03841	0.9
170.06020	0.7
171.06749	0.8
173.51318	0.5
174.05505	0.7
181.05045	1.0
186.05406	0.7
187.06271	4.1
188.06976	0.6
189.07838	1.9
198.05466	1.1
199.06258	6.5
200.06972	1.0
202.08624	3.4
212.07234	0.8
214.05029	2.1
214.08658	1.4
215.05768	15.6
216.06523	3.1
217.07341	5.1
218.08099	1.1
226.04997	1.3
227.05786	1.8
228.06531	1.1
230.08147	5.9
231.08746	0.5
232.09764	4.8
241.07283	0.6
242.08089	4.1
243.05309	17.2
243.08582	1.8
244.06039	10.9
244.10335	1.1
245.06845	6.4
248.09212	1.4
256.06116	0.7
258.07620	92.0
259.08316	13.1
260.09189	20.4
271.04822	1.8
272.05374	1.5
272.09894	1.3
276.08658	2.1
286.07095	100.0
287.07526	3.9
289.05688	1.0
289.08499	1.5
304.08130	98.9
305.08368	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	304.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01859	1.0
55.05508	1.6
56.04793	0.8
56.05040	12.7
56.96569	28.2
57.03429	2.9
58.06602	5.9
60.04530	1.3
60.05635	2.7
61.02933	3.6
67.05501	0.7
68.05027	4.3
69.03430	4.6
69.07069	1.5
70.06597	23.7
70.98121	2.3
71.04996	1.4
71.05629	1.7
71.06927	0.9
71.95253	1.0
72.08161	12.9
73.02911	2.7
74.02431	1.3
74.06098	3.7
74.97581	1.5
77.00906	1.6
79.05486	1.1
81.03415	1.4
81.04543	2.2
81.07063	1.2
82.06571	1.5
83.06110	0.8
84.04505	6.1
84.08150	9.1
84.96031	2.5
85.02911	10.6
85.06500	0.7
85.07671	3.7
85.08474	1.7
86.03238	0.9
86.06077	15.8
86.09712	11.6
87.04500	1.0
88.03979	2.6
88.99147	1.8
91.03934	0.8
91.05487	1.5
91.99561	0.7
95.01929	1.3
95.04991	1.6
95.06087	2.1
95.08595	1.5
96.04484	1.1
96.08125	1.8
97.02889	4.6
97.07635	0.8
97.96819	1.3
98.06042	1.5
98.09686	1.7
98.97587	28.2
99.04465	1.3
99.97929	1.0
100.03997	5.6
100.07636	0.9
101.00809	1.0
101.06038	0.7
101.07131	1.6
102.05538	7.9
103.02413	1.0
105.03397	5.6
105.07081	0.7
107.00237	0.7
109.02885	1.3
109.06499	0.8
109.10139	2.0
110.97567	2.5
111.09225	1.0
112.08736	1.7
112.99116	2.0
113.07123	1.3
114.05534	48.1
114.09188	1.1
115.03947	1.2
115.08681	1.0
115.97880	0.8
116.07082	5.9
116.98631	19.9
119.01902	4.7
123.04374	0.7
124.07602	6.2
125.07117	2.7
126.09146	0.7
127.03934	3.2
127.08709	0.8
128.07068	3.6
128.17070	0.5
128.52507	0.8
128.98624	4.3
128.99426	0.7
129.03966	0.8
129.06615	4.2
129.10284	3.7
130.04979	1.9
130.08704	1.2
130.10600	2.0
131.00154	4.4
131.01898	1.5
132.10150	0.9
133.01639	0.7
133.03488	0.8
134.99651	10.6
137.02902	1.2
137.05952	0.8
139.08675	2.5
140.00200	1.6
140.03473	0.7
140.98569	0.9
141.01163	2.2
141.06596	1.9
141.10223	10.3
142.06961	1.0
142.08635	7.9
142.12292	0.8
142.96521	1.4
143.00154	2.6
143.01929	1.7
143.03378	0.8
143.08170	11.5
143.11810	3.1
144.10243	1.1
144.98051	1.5
145.01761	0.7
145.03444	0.9
145.04968	1.1
145.09726	2.4
146.05949	0.7
146.99640	4.6
147.01399	0.8
147.11433	0.8
149.01234	6.7
150.99127	1.3
151.08665	1.7
152.88927	0.7
153.00700	2.0
157.03485	1.2
157.09738	5.6
157.13388	1.5
158.01309	0.9
158.08122	0.9
158.09254	1.5
158.99652	4.8
159.11342	1.2
160.97569	2.0
161.01260	4.9
161.02927	3.4
162.01770	0.7
162.02971	1.1
162.99161	1.6
165.00677	1.7
167.02278	1.9
168.06618	1.8
168.11330	3.3
169.09726	0.9
170.12901	0.9
170.99698	1.0
171.11264	0.7
171.14923	2.3
172.02870	0.9
172.05412	0.9
172.97612	1.0
173.01241	7.0
173.02916	1.8
174.99147	1.9
175.02849	1.2
175.04431	0.8
175.11946	3.3
177.00743	8.8
177.04066	1.0
177.05505	1.2
179.02312	1.9
184.97647	1.1
185.09230	100.0
186.04677	0.9
186.07639	4.9
186.09544	2.0
186.99199	1.2
187.10716	0.7
187.14415	2.8
188.97124	2.1
189.00702	4.2
189.02269	1.3
190.03995	1.6
190.98688	2.3
191.02280	7.0
191.07692	2.6
191.10298	0.8
192.04614	0.9
193.00163	1.6
193.01814	0.8
195.01749	0.9
196.10811	5.4
197.09299	1.0
200.02309	0.9
201.00719	2.7
201.04877	0.9
201.12335	1.8
202.98627	3.1
203.02319	1.8
203.03986	1.2
203.10353	3.7
205.00200	2.2
206.98091	2.2
207.01730	4.3
207.03447	0.8
207.05162	0.8
208.05148	1.8
213.53690	1.4
214.03783	1.7
214.05757	0.9
214.11884	2.0
215.10289	2.0
217.00233	1.1
219.01761	4.6
220.99706	1.4
222.05443	0.9
223.01213	3.0
223.04564	1.0
224.02266	0.9
230.98134	2.1
232.05064	1.6
232.99724	1.5
235.01236	1.7
237.02892	3.0
237.13385	5.9
240.13347	3.4
243.03593	0.9
244.04938	0.8
244.99603	1.5
245.05096	0.9
248.99086	1.8
249.03079	0.9
255.03865	0.9
255.14470	12.9
257.03238	1.0
258.14508	2.0
260.14896	0.8
263.00711	3.4
263.11404	0.9
267.00165	0.9
268.12946	2.4
273.15613	0.7
279.07352	0.8
280.08002	1.5
280.23621	0.7
281.01752	9.1
281.07132	2.0
281.12463	5.1
286.13989	44.9
287.13718	1.1
289.96817	0.7
299.02878	2.5
299.13519	8.9
304.07919	0.9
304.15659	9.4
305.06003	0.7
305.11734	3.5
322.09958	0.9
322.14777	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.9815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	2.5
56.96307	0.9
56.96564	14.3
57.03414	0.9
58.06578	1.1
60.95839	0.5
62.97465	0.5
65.46892	0.5
65.80306	0.5
69.03415	1.3
70.06567	2.0
71.51721	0.9
71.95250	1.1
73.02914	0.6
74.97585	0.6
81.03398	0.7
82.06564	0.6
84.08106	1.1
84.96013	0.6
85.02892	1.1
85.07664	0.8
86.06053	3.2
88.03944	0.6
93.07060	0.5
97.02893	1.3
97.90060	0.4
98.97580	13.6
100.03983	0.7
100.15074	0.5
101.00866	0.8
101.94012	0.5
102.05484	1.4
102.96833	0.9
109.02821	0.7
109.97317	0.5
110.97557	0.7
114.05522	9.2
116.98619	12.7
119.01905	4.9
120.02013	0.6
120.97900	1.4
121.01633	1.1
124.07591	1.0
127.03883	0.6
128.07030	0.6
128.98587	1.9
129.06523	0.7
131.00188	0.7
131.01875	1.0
134.99648	12.5
137.02930	1.6
138.98897	1.5
141.10248	1.8
142.03442	0.7
142.08597	1.5
143.00194	0.6
145.00696	0.6
145.03389	0.9
146.91800	0.9
146.99586	2.5
149.01186	1.0
150.99054	0.5
153.00745	2.4
157.09621	0.6
158.01219	1.3
158.99777	0.8
161.01190	2.1
161.02966	1.1
162.99176	0.6
165.97623	0.5
167.02095	0.7
172.95341	1.0
173.01143	1.2
174.00742	1.1
174.97731	0.8
174.99156	0.6
177.00949	16.7
178.01086	2.8
178.23264	0.5
179.00754	1.6
181.03458	1.7
182.99806	0.8
183.99895	0.7
185.09209	14.3
190.95351	1.3
191.02197	1.6
192.98683	1.0
195.01848	0.7
199.04527	3.6
199.90587	0.6
200.02541	0.6
201.00887	4.0
204.03557	0.8
205.00182	0.6
207.76404	0.6
208.96326	0.7
211.50392	0.6
214.96547	4.3
216.98738	0.7
218.03918	0.6
219.01996	100.0
220.02142	9.1
221.01857	2.3
226.95560	0.6
227.00726	0.6
228.90100	1.1
230.93365	1.0
232.96465	1.2
234.99706	0.6
237.02960	1.1
238.91895	0.6
238.95900	1.0
240.13588	0.7
242.03578	6.8
244.01848	1.3
245.01817	1.1
246.91141	2.0
250.04318	0.6
250.97424	1.1
251.93819	0.7
255.10878	0.6
256.97516	16.6
257.96631	5.6
258.96466	1.0
261.03055	1.5
262.03137	15.0
263.02814	10.3
265.05289	0.6
265.95563	0.9
266.45377	0.8
268.95856	0.6
272.94547	1.1
274.94171	2.1
274.97705	3.3
275.94308	2.2
275.97815	3.3
276.93832	0.9
276.97522	0.7
278.12393	2.1
279.98520	1.8
280.98239	4.3
281.01324	1.0
281.01950	1.0
281.07339	0.7
281.97858	1.0
285.04773	1.3
286.04568	1.3
286.13953	6.0
288.92224	1.1
289.94925	0.7
291.95581	1.2
292.95035	1.0
293.95242	1.6
294.94650	0.9
295.89438	0.7
298.97961	18.4
299.98422	1.1
300.96170	1.4
304.05429	1.7
321.99496	1.8
329.89926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.03937	1.6
55.05515	11.5
57.07064	2.2
65.03926	1.1
65.60329	0.7
67.05503	21.9
69.07063	10.6
69.45756	1.8
69.46169	5.3
71.04976	2.3
71.08612	0.9
73.06588	0.9
79.05495	9.0
81.06599	1.2
81.07055	18.4
83.04965	0.9
83.08614	7.6
85.06538	2.3
86.55219	0.8
91.05466	7.4
93.07044	21.1
95.04939	1.9
95.08607	100.0
96.08913	0.9
97.06512	1.3
97.10156	5.6
97.65038	0.8
102.54279	0.7
105.07025	15.0
107.08590	34.6
109.06555	1.4
109.10161	26.8
111.04455	1.0
111.08092	1.4
111.11716	1.5
113.05996	1.3
117.05053	0.8
117.06989	2.3
119.08578	27.7
121.06493	1.0
121.10145	27.5
121.82810	0.9
123.08050	2.0
123.11718	9.8
125.05994	1.9
125.09650	0.8
128.82289	0.8
130.94873	0.9
131.08566	7.0
133.10141	20.7
135.11690	19.7
136.11952	1.0
137.09607	2.4
137.13231	2.9
139.07536	2.2
139.11134	0.8
141.09077	2.7
144.01207	0.8
144.09305	0.8
144.91515	0.8
145.10115	10.6
147.11690	18.1
149.05986	1.0
149.13248	12.2
151.07535	1.5
153.09158	0.8
157.10117	1.6
158.10889	1.8
159.11687	9.6
161.09607	1.0
161.13248	17.6
163.11163	1.3
163.14821	12.4
171.11661	2.0
173.13271	11.7
175.11244	1.4
175.14839	6.3
177.12735	1.0
177.16446	1.5
179.96378	0.9
181.12148	0.8
185.13275	1.1
187.14813	10.0
189.12738	2.3
189.16391	6.8
191.17946	1.1
193.12248	2.2
195.13815	1.2
197.13310	0.9
199.14825	0.8
201.12659	1.3
201.16434	8.3
203.17947	21.8
207.13829	5.9
209.15492	1.0
211.14769	1.6
215.17958	3.1
219.13800	1.9
221.15393	3.6
225.16493	1.0
229.15900	1.0
233.15353	6.8
241.19359	1.0
243.17374	1.2
243.21083	6.4
247.16949	4.0
257.22647	20.2
261.18536	0.9
267.21164	1.6
285.22141	11.5
303.23184	51.5
304.23471	1.3
328.67139	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2316
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03930	1.3
55.05510	14.0
57.07058	3.5
65.03947	1.0
67.05502	21.6
69.03421	1.8
69.07066	14.6
69.83855	2.6
69.84268	2.5
71.04966	1.6
73.38504	0.9
79.05490	8.6
81.06586	1.4
81.07055	21.0
83.08620	5.7
85.06537	1.3
91.05482	7.8
93.07044	22.7
94.41139	0.9
95.04971	1.8
95.08606	100.0
96.08923	1.3
96.22561	0.9
97.06544	1.4
97.10182	5.7
101.02313	0.8
105.07035	19.6
105.07700	2.0
107.07882	1.7
107.08595	32.5
109.06548	1.2
109.10155	31.6
111.04431	2.9
111.08040	1.5
111.11770	1.4
113.05990	2.0
117.07016	2.4
119.08576	30.2
121.06506	1.2
121.10137	29.4
123.08049	2.2
123.11702	9.9
125.05994	2.0
131.08556	5.5
133.10132	24.6
134.10820	1.0
135.08087	1.3
135.11697	21.7
137.09608	2.6
137.13266	3.0
139.07515	2.0
141.09135	2.3
143.08580	1.7
145.10109	9.6
147.11681	19.1
149.13272	11.5
155.10606	1.3
157.10136	1.8
158.10942	1.0
159.11687	12.1
161.13263	19.0
161.14580	0.6
163.11226	1.2
163.14813	9.5
169.10129	1.0
171.11673	1.7
173.13255	13.8
175.11182	1.5
175.14796	8.5
177.09216	1.1
177.16324	2.3
179.10585	0.9
181.12209	1.7
185.13194	1.8
187.14838	12.4
189.12746	2.6
189.16409	5.1
191.10648	0.9
191.14359	1.3
191.17886	1.3
193.12268	1.8
197.13277	1.3
199.14832	1.2
201.12823	1.0
201.16367	9.8
203.14360	1.5
203.17958	19.7
204.28780	1.0
205.12320	0.9
207.13860	5.9
211.14679	1.1
215.17978	3.2
219.13864	2.1
221.15396	3.3
229.15961	1.6
233.15317	8.6
243.17401	1.4
243.21107	8.2
247.16928	3.7
257.22659	22.3
261.18457	1.3
267.20950	2.6
285.22168	10.6
303.05008	3.1
303.23184	53.0
304.23676	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84212	0.8
53.03938	1.6
55.01865	2.2
55.05519	4.4
56.17889	0.7
57.07079	1.4
59.04988	0.8
63.23346	0.8
65.03934	1.5
67.01862	3.0
67.05513	8.5
68.99795	2.1
69.03425	2.2
69.07072	10.1
69.78531	3.2
71.04977	2.6
79.05502	7.4
81.03415	2.2
81.07061	21.7
83.04971	3.0
83.08613	2.6
85.06564	1.4
91.05484	10.0
91.48936	0.7
93.03419	0.8
93.07054	10.5
95.04977	8.2
95.08614	9.3
97.06546	1.2
97.10149	1.3
99.04449	2.1
103.05471	4.7
105.03398	0.7
105.07041	7.6
107.04948	3.2
107.08595	9.1
109.02880	4.4
109.06552	4.4
109.09467	1.1
109.10160	12.4
111.04444	2.7
111.08105	1.4
115.05504	2.1
117.03333	0.7
117.07035	1.6
119.04947	2.4
119.08582	6.9
121.02912	2.2
121.06516	8.0
121.10153	6.5
122.03661	0.9
123.04456	1.8
123.08081	2.2
123.11716	8.4
125.05991	1.4
127.03970	1.4
129.07019	1.8
129.33322	0.8
131.04956	4.9
131.08565	2.5
133.02879	1.0
133.06503	1.3
133.10136	4.2
134.03563	1.1
135.04401	6.6
135.08064	2.4
135.11693	7.9
137.02386	2.3
137.05988	6.8
137.09572	1.7
137.13223	1.3
138.03094	0.7
139.03912	8.1
141.01790	1.4
141.06937	2.1
143.04880	0.9
143.08568	2.5
145.02861	1.8
145.06464	2.0
145.10138	3.3
147.04448	2.0
147.08083	1.7
147.11678	3.5
149.05977	4.1
149.13226	1.5
151.03891	1.8
151.07553	10.0
151.11131	0.8
152.06221	1.5
153.01845	7.1
153.05531	6.0
153.07002	4.8
155.08568	4.5
155.10675	0.7
157.06552	1.2
157.10158	1.9
159.08044	1.6
159.11775	3.4
161.06039	1.3
161.09608	1.4
161.13264	1.9
163.03915	40.1
163.07552	4.8
163.14796	0.8
165.01906	0.8
165.05481	2.1
165.06978	13.1
165.09093	1.0
167.07191	1.4
168.05711	4.7
169.05066	1.2
169.06454	2.4
171.02879	1.1
171.11687	1.2
173.02332	1.7
173.06084	0.8
173.09645	1.2
173.13255	2.4
175.07542	2.5
175.11168	1.5
175.14845	1.8
177.05571	3.8
177.09128	2.7
177.12740	1.0
177.16322	0.9
179.03467	1.3
179.07057	1.8
181.04967	100.0
181.06343	3.4
182.05350	1.3
182.07283	2.7
182.09016	1.0
183.02950	1.7
183.08055	14.2
183.11664	1.4
183.37224	0.8
185.05981	2.0
185.13173	1.3
187.03947	1.7
187.06062	0.9
187.07597	1.9
189.09242	0.9
189.12718	1.0
191.03496	0.9
191.06996	1.5
191.10719	1.7
193.04929	1.1
193.06488	2.4
195.06593	3.7
195.08107	0.8
196.05229	3.6
196.11093	0.8
197.05954	2.7
197.09630	1.2
197.11458	0.7
197.13313	1.3
199.07564	1.7
199.14882	1.3
201.09093	1.8
201.12639	0.9
201.16380	2.3
203.03407	1.9
203.07056	3.2
203.17986	1.0
205.04962	2.8
205.08618	1.3
207.04445	2.9
207.06396	1.6
209.06015	1.0
209.08040	1.3
210.06755	1.0
211.07570	14.1
212.08272	1.2
213.05544	1.5
215.05540	2.3
215.10651	2.7
215.14488	0.8
217.16084	0.9
219.02902	1.8
219.06462	1.1
221.06001	1.6
221.08086	14.4
223.09650	4.9
225.09131	1.6
227.07033	1.6
228.07764	2.1
229.05029	1.3
229.08611	1.5
229.15952	1.0
232.05580	1.3
235.09648	2.6
239.06990	4.5
239.09210	2.9
243.04836	1.5
243.10208	11.1
244.06032	3.0
245.08105	1.4
247.09685	11.3
247.17032	0.8
253.08627	1.3
255.06641	1.1
257.08151	1.1
258.07648	9.1
260.05255	1.8
260.09293	1.6
267.21164	1.0
271.09683	19.0
272.05588	2.8
272.10223	1.5
275.07483	2.3
285.07669	1.3
285.11783	0.7
285.14984	1.3
285.18610	1.2
285.22150	2.9
286.07129	9.7
288.04810	3.1
288.09998	2.3
289.05664	1.3
303.04535	13.5
303.08240	3.6
303.12244	11.2
303.15930	21.8
303.19653	1.9
303.23141	12.0
303.26413	1.5
304.05331	1.1
304.08258	10.7
304.11627	1.8
304.15897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
55.01856	3.9
55.05513	9.7
55.17115	1.7
57.03422	1.9
57.07056	2.6
59.05003	1.7
60.43887	1.3
65.03931	3.0
67.05506	16.2
68.38373	1.3
68.99783	3.5
69.03419	5.9
69.07074	19.8
71.04983	7.3
71.51854	2.7
77.03923	2.4
79.05137	1.6
79.05501	19.2
81.03410	6.9
81.06592	2.4
81.07061	32.4
83.04980	7.6
83.08614	5.4
84.08183	1.5
85.02906	2.0
85.06535	4.3
91.04976	2.2
91.05489	26.3
93.07052	25.8
95.04980	15.4
95.08607	29.2
97.02859	1.9
97.06528	5.1
97.10155	1.7
99.00859	1.9
99.04451	5.1
99.08104	2.0
103.05475	13.4
105.03430	2.3
105.07041	23.4
107.04954	9.1
107.08595	25.8
109.02872	5.8
109.06536	7.8
109.10166	24.2
111.04435	5.9
111.08041	2.7
111.11668	1.6
115.05450	4.8
116.45553	1.6
117.07008	6.2
119.04947	10.9
119.08595	20.4
121.02834	3.0
121.06519	11.8
121.10145	21.1
123.04428	10.8
123.08080	3.9
123.11710	15.7
125.06013	2.1
125.09639	4.2
127.03901	5.9
127.11193	3.2
128.06187	4.6
129.07001	4.5
131.04930	16.3
131.08568	8.8
133.02852	5.8
133.06499	1.8
133.10114	12.5
134.03629	2.2
135.04410	20.6
135.08025	6.1
135.11717	13.7
137.02354	5.5
137.05971	24.7
137.09564	4.1
137.13272	2.0
139.03947	2.3
140.06190	1.9
141.06996	5.9
142.07689	2.1
143.04927	3.1
143.08565	5.4
145.02872	3.2
145.06491	7.8
145.10121	17.7
147.04414	11.4
147.08044	4.7
147.11710	12.0
149.05974	12.8
149.09595	3.6
149.13243	3.9
151.03889	6.1
151.07558	24.5
151.11198	2.6
152.06223	4.3
153.01837	14.2
153.05458	12.3
153.06972	17.2
155.04929	2.0
155.08572	12.6
157.06447	4.1
157.10109	6.5
159.04401	2.9
159.08034	3.8
159.11688	9.3
161.02319	9.5
161.06006	7.8
161.09604	4.2
161.13313	7.4
163.03908	100.0
163.07564	17.0
163.11171	3.5
163.14864	2.0
165.01886	2.0
165.05592	4.1
165.07004	39.8
165.09126	3.3
165.12819	1.6
167.03377	4.4
167.07053	3.0
167.08492	2.1
168.00539	5.0
168.05701	17.7
169.06468	6.1
169.10109	3.2
170.07225	2.2
171.02844	2.3
171.08064	2.6
171.11678	5.1
173.02390	3.3
173.05991	4.9
173.09639	3.1
173.13297	4.8
175.03937	4.4
175.07535	8.7
175.11172	3.9
175.14807	2.6
177.05475	5.9
177.09079	3.9
177.12708	2.3
179.03412	50.0
179.06995	2.7
181.04980	58.8
181.06468	10.0
181.08740	3.1
182.05568	1.5
182.07239	9.6
182.09244	5.2
183.02896	18.5
183.08060	46.3
183.11665	2.8
185.06015	8.1
185.09554	3.2
185.13260	3.7
186.01558	4.9
187.03894	2.1
187.07515	5.5
187.14786	4.0
189.05470	4.5
189.09119	4.0
189.12692	2.0
189.16360	3.3
191.06947	2.3
193.06450	6.3
195.08009	2.1
196.05185	11.4
197.05968	8.2
197.09702	2.5
197.11508	3.0
197.13206	2.0
199.07498	4.6
199.14787	6.3
200.08319	4.6
201.01810	3.3
201.05458	4.3
201.09125	6.2
201.16394	4.7
203.03371	8.9
203.07063	4.3
207.04425	10.8
207.06313	3.0
210.06714	5.9
211.07539	43.3
211.14940	2.7
212.08250	4.8
213.05484	5.7
213.08952	1.8
213.16347	2.0
214.12247	2.7
215.10663	8.3
215.12617	13.9
215.17924	2.0
217.08649	1.7
217.15926	4.0
219.06516	3.6
221.05991	3.7
221.08089	4.7
225.05396	2.8
225.09108	6.5
227.07033	3.1
228.07820	3.6
229.04884	4.5
229.08586	6.5
233.08049	2.4
239.07019	12.9
239.14328	2.3
243.06625	2.4
243.07481	2.1
243.10110	31.4
245.08081	3.9
247.09628	3.9
247.16943	2.5
253.08450	2.9
255.06639	2.1
257.04495	3.6
257.08109	2.3
257.15384	18.9
257.22537	3.0
260.05130	7.6
267.21121	3.2
271.09656	58.2
272.10352	6.6
275.12833	3.7
282.32602	1.7
285.07507	3.4
285.11639	3.6
285.14453	2.9
285.16791	6.4
285.22009	12.8
288.05017	13.2
288.09970	6.7
303.04434	32.8
303.07971	15.4
303.12195	29.5
303.15936	38.1
303.19553	3.5
303.23132	35.6
303.26675	1.3
304.08255	3.5
304.11710	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39217	1.2
53.03920	2.5
55.01859	3.6
55.05509	9.4
57.07071	1.4
59.04992	1.8
65.03929	1.6
67.01866	1.7
67.05500	11.4
68.99744	2.2
69.03410	3.4
69.07070	31.3
69.55740	1.7
69.56158	5.7
71.04980	4.1
77.03932	1.6
79.05489	8.8
79.41959	1.0
81.03403	3.3
81.06597	1.4
81.07061	21.8
83.04967	5.0
83.08610	4.4
85.02876	1.3
91.04961	1.6
91.05478	13.3
93.07047	15.4
94.04191	1.1
95.04453	1.0
95.04963	6.7
95.08598	18.9
97.06493	1.6
99.04438	2.7
99.08044	1.1
103.05466	5.6
105.03378	3.7
105.07030	13.6
107.04958	6.6
107.08594	13.0
109.02886	18.0
109.06507	3.4
109.10151	14.9
111.04400	1.7
111.08086	1.3
111.11720	1.5
113.16550	1.2
115.05447	2.8
116.06218	1.3
117.03381	1.6
117.06994	3.9
119.04938	4.1
119.08595	7.3
121.06495	7.5
121.10133	11.4
123.04424	32.3
123.08038	4.3
123.11723	8.5
125.05988	1.7
125.09651	1.6
127.03928	13.2
127.11182	2.1
128.06168	2.1
129.06975	2.5
131.04916	7.6
131.08548	4.9
133.02835	11.6
133.06479	3.6
133.10106	6.4
134.03658	2.3
135.04420	29.9
135.08015	3.3
135.11693	6.5
137.02324	3.4
137.05963	14.8
137.09628	2.2
137.13249	1.9
138.09125	3.1
139.03876	1.9
139.11176	1.2
141.06987	3.0
141.09084	1.3
143.08504	3.4
145.02791	2.1
145.06453	4.7
145.10141	8.6
147.04395	9.3
147.08022	4.4
147.11682	7.5
149.02281	2.7
149.06001	11.3
149.09573	3.3
149.13243	2.6
151.03897	17.9
151.07549	9.1
152.06166	2.7
153.01791	7.0
153.05482	5.6
153.06960	5.3
154.05789	1.5
155.04849	1.2
155.08566	8.1
157.06509	2.7
157.10124	3.5
159.04407	2.0
159.08031	4.1
159.11696	3.5
161.02353	24.0
161.05974	15.4
161.09604	3.1
161.13268	1.7
163.03911	26.9
163.07568	10.5
163.11157	2.3
165.05472	2.8
165.06964	14.0
165.09125	1.5
167.03398	4.3
167.07054	1.1
167.08458	1.0
168.05710	4.8
169.10117	1.6
171.02960	1.5
171.08028	3.1
171.11734	1.7
173.02316	4.0
173.05988	6.4
173.09587	4.3
173.13199	2.9
174.06764	2.2
175.03906	4.0
175.07539	18.1
175.11119	1.8
175.14740	1.3
177.05444	3.5
177.09041	4.3
179.03395	100.0
179.10689	1.3
181.04970	33.1
181.06471	4.1
181.08557	1.4
182.07230	3.2
183.04440	1.7
183.06505	1.6
183.08047	15.8
183.11623	1.6
185.06065	2.0
185.09634	1.8
187.03886	2.4
187.07553	11.5
187.14764	1.7
189.05437	4.0
189.09142	11.2
191.03400	4.6
193.04909	2.7
193.06499	2.8
193.12175	1.3
194.63022	1.2
196.05199	4.3
197.05940	2.6
197.09601	1.8
197.13335	1.6
199.07425	1.9
199.14810	3.9
201.01823	5.0
201.05492	2.1
201.09111	9.8
201.12671	1.4
201.16364	2.8
202.02614	1.5
203.03432	11.6
203.05232	1.9
203.06873	2.8
203.10603	3.0
205.04959	4.4
207.04378	3.4
207.06371	1.4
210.06845	1.5
211.07535	18.6
211.10902	1.4
211.14819	2.9
212.08229	2.0
213.05502	2.9
214.04597	1.2
215.07162	1.9
215.10670	5.9
217.08536	2.5
217.12175	2.2
217.15857	3.0
219.06534	3.3
221.05959	2.6
221.08060	23.1
225.09119	3.0
227.07072	1.4
228.07800	1.9
229.04964	2.5
229.08557	5.5
229.12354	1.6
229.15845	3.9
233.08092	7.3
235.09656	5.4
239.06992	4.9
239.14201	2.2
241.04831	1.6
242.04405	1.1
243.04604	2.2
243.06735	2.5
243.10114	11.9
243.13829	1.4
243.21260	1.4
244.05963	2.3
245.04433	3.1
245.08095	1.6
247.09601	4.2
257.08112	2.5
257.15359	98.3
260.05237	4.8
267.13733	2.1
267.21002	1.5
271.09671	23.9
271.12781	2.2
272.10226	2.4
274.03479	1.7
275.12918	2.3
275.16312	1.8
285.07718	2.6
285.14981	9.1
285.18237	1.8
285.22101	6.4
286.07123	3.3
288.04568	6.5
288.09921	3.1
303.04663	8.7
303.07635	10.8
303.12247	11.6
303.15854	79.7
303.19354	3.2
303.23123	18.8
304.07974	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	303.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01873	0.9
55.05516	3.0
55.53393	0.3
57.03439	2.0
57.03692	0.4
57.07068	0.4
61.02909	0.5
61.96302	0.3
65.03938	1.1
67.01849	0.6
67.05505	12.3
68.47763	0.3
68.99789	2.8
69.03429	5.9
69.07066	1.9
69.34456	0.7
69.34857	2.6
70.06571	0.7
71.01358	0.4
71.04993	1.8
72.08162	0.4
72.50240	0.3
79.05499	1.7
81.03419	6.3
81.07048	3.8
83.04987	0.8
85.02902	3.4
85.06534	1.3
91.05490	2.3
93.03407	0.9
93.07043	4.6
95.04976	2.4
95.08604	52.9
96.08913	0.4
97.02889	1.6
97.06527	0.8
99.04486	2.0
99.08075	0.3
103.05479	0.5
103.56428	0.3
105.07025	1.9
107.04934	2.8
107.08585	1.6
109.02879	3.7
109.06536	0.5
109.10133	1.0
110.21607	0.3
111.00776	1.9
111.04465	0.7
113.09656	1.0
115.05486	0.6
117.03349	0.3
117.07000	0.7
119.04942	0.7
119.08620	1.7
119.32974	0.3
121.02860	2.8
121.06489	0.5
121.10132	0.8
123.04425	1.1
123.08061	25.2
123.11662	0.4
124.07545	0.4
124.08403	0.4
124.19649	0.3
125.05935	0.3
127.03914	2.8
129.06996	1.0
130.06471	0.4
131.04918	0.8
131.08557	0.9
133.06511	0.3
133.10161	0.7
135.04382	0.9
135.08008	0.3
135.11739	0.4
137.02327	8.2
137.05945	1.0
137.09622	0.4
138.02747	0.4
141.09097	18.6
143.08467	0.4
145.02837	1.1
145.06459	0.9
145.10115	1.1
147.04428	0.5
147.11707	0.8
149.02328	1.1
149.05954	0.8
149.09537	0.5
151.03908	0.5
151.07541	0.7
153.01822	13.7
153.07018	0.6
155.04918	1.1
155.08514	0.8
157.10112	0.5
159.07979	0.5
159.11681	0.5
161.05965	0.8
163.03883	1.4
163.07544	0.4
163.11064	0.4
165.01837	4.9
165.05518	0.7
165.06985	0.9
167.03513	0.5
168.05635	0.5
171.02899	0.8
171.04309	0.3
171.11697	0.4
173.05956	1.9
173.13261	0.5
175.14827	0.4
177.05449	1.4
179.03427	0.7
183.02881	1.8
183.04414	1.1
183.08063	1.2
184.05013	0.4
185.05969	0.6
187.03865	0.8
195.02895	0.6
201.05438	4.4
205.04953	0.7
211.03812	0.5
211.07561	0.7
213.05513	0.8
219.02794	0.4
219.06606	0.9
225.09023	0.5
228.07886	0.4
229.02655	0.5
229.04953	9.5
231.08449	0.4
233.04491	0.6
243.10097	0.7
247.05984	1.5
257.04440	5.1
271.09634	1.2
274.04654	1.4
275.09131	0.5
285.03918	2.6
285.13309	2.2
285.22107	0.4
288.05096	0.9
303.04974	100.0
303.23154	1.4
304.05301	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	303.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.05513	41.0
56.96563	2.5
57.03424	1.7
67.05506	1.6
68.99789	1.8
69.03430	49.2
69.07061	1.9
69.56966	1.2
70.06589	5.0
70.22499	5.6
71.04975	5.1
72.08138	4.5
73.06556	100.0
81.02934	1.5
81.03413	25.9
81.07040	2.9
81.08798	1.3
83.04965	2.2
84.04498	1.7
84.08160	8.7
85.02904	17.7
85.03391	2.2
86.09698	9.3
87.00842	3.4
87.10015	1.8
91.05473	2.4
93.07046	2.9
95.08598	6.0
95.14717	1.4
97.02895	15.4
97.06514	2.0
98.21410	1.8
98.97575	4.4
99.04446	14.5
101.06017	85.2
102.05508	1.3
105.07023	2.9
107.04947	1.5
107.08549	2.6
109.02888	8.8
109.10152	2.2
110.07135	3.1
111.04432	3.9
116.89156	1.2
116.98613	2.6
121.02890	1.4
121.10139	2.1
123.04373	1.5
125.02288	1.8
127.03927	17.0
131.07010	3.0
132.08170	1.3
133.10104	1.7
134.05974	2.0
134.99692	2.4
137.05991	3.7
141.09062	1.6
143.03386	15.9
144.10156	1.9
145.04962	2.6
153.05440	1.6
155.07031	1.6
157.08611	2.0
169.10115	1.4
171.02859	4.2
171.04254	1.8
181.08589	3.5
183.07950	1.5
186.16849	2.8
189.03905	3.2
192.03392	2.1
197.05986	1.9
199.09647	4.9
203.05486	1.9
211.07538	1.4
213.03915	4.7
213.10416	1.5
216.07674	1.2
231.04939	4.6
235.07480	1.4
257.08044	1.9
261.05453	5.9
271.09784	1.6
275.09082	1.6
279.06812	5.4
285.09671	16.3
285.14435	1.4
303.04901	6.0
303.10718	10.3
303.14246	5.0
303.23041	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.1
57.07073	7.3
60.04523	1.7
63.02404	1.0
65.03960	4.0
67.05505	20.8
69.03451	0.7
69.07072	3.3
69.41244	1.7
69.41648	3.7
70.06592	7.8
71.08636	1.6
72.00871	1.8
73.06552	5.7
77.03925	1.5
79.05490	2.2
80.05840	0.7
81.03430	1.6
81.07054	2.4
83.08617	0.7
85.06542	15.2
85.10171	0.9
87.08102	3.1
88.07642	9.7
89.03910	4.2
89.07914	0.9
91.05479	5.6
93.07037	1.2
95.01338	1.5
95.04980	2.7
95.08593	4.1
102.09184	2.1
105.03397	7.4
105.07022	2.4
106.08677	6.7
107.05011	0.9
107.08591	2.0
109.10149	2.1
115.05487	0.9
117.22005	0.7
119.04966	2.9
119.08590	2.7
121.06534	0.7
121.10123	1.4
123.11695	0.8
131.04918	5.4
131.08580	1.0
133.02873	5.5
133.10095	1.6
134.03658	1.6
135.04443	3.9
136.04764	2.1
142.07811	1.2
145.02852	30.4
145.04002	1.6
145.10114	1.0
147.04408	8.7
147.11697	1.0
155.08521	1.1
159.04465	1.6
159.08023	1.3
159.11638	1.4
161.01387	0.6
161.02344	19.9
162.03110	2.2
163.03900	4.6
171.04410	4.6
173.02351	57.5
174.03114	1.6
175.03917	9.1
175.14737	1.2
178.04970	6.6
179.05348	6.5
183.08125	0.9
185.09584	1.4
187.03992	2.5
187.14851	1.0
189.01823	17.8
190.02455	0.9
191.03334	2.0
192.06705	0.8
193.06943	1.1
195.08012	0.9
198.06844	0.8
199.03897	0.8
201.01826	40.3
202.02684	4.0
203.03412	5.4
207.08456	1.3
211.07533	1.0
213.09180	2.1
215.03401	2.6
216.99614	0.5
217.01318	40.1
218.02100	9.3
219.02888	100.0
220.03177	1.5
221.10039	1.1
231.02888	44.9
239.07059	1.3
241.08661	8.5
241.26631	1.0
243.06558	2.3
257.22842	0.7
258.04022	1.0
258.15750	2.4
259.06003	3.9
271.13278	0.9
271.16943	0.7
275.08334	0.8
284.29474	3.6
285.07782	4.3
285.10834	0.6
285.22223	0.9
285.29858	2.1
302.30542	39.3
303.05014	3.9
303.08597	17.0
303.13889	2.7
303.17813	9.8
303.23312	3.5
303.30853	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	303.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28333	0.2
55.01863	0.3
55.05507	1.2
57.07079	2.0
59.04986	0.4
59.29002	0.3
62.19746	0.3
65.03944	4.8
67.05508	22.2
68.05869	0.3
69.03425	0.4
69.07076	2.3
69.25593	0.2
69.80013	0.5
69.80415	1.3
71.04990	0.3
71.42912	0.3
73.99352	0.2
77.03928	1.2
79.05481	1.1
81.07059	2.1
83.04967	0.5
85.06545	16.8
87.08112	3.0
87.27771	0.2
89.03928	0.8
91.05505	1.4
93.07082	1.3
95.01332	0.6
95.04961	1.0
95.08601	1.3
99.04433	0.4
103.05461	0.6
105.03394	5.8
105.07038	1.4
107.04951	1.2
107.08595	1.5
109.02890	0.3
109.06519	0.4
109.10149	1.1
111.04465	0.4
111.34009	0.3
117.07033	0.4
119.04932	0.3
119.08568	1.0
121.02899	0.4
121.06489	0.4
121.10123	1.1
123.04469	0.2
123.11729	0.3
129.07022	0.3
130.06519	0.5
131.04941	1.0
131.08543	0.4
133.02861	3.9
133.10132	0.8
134.03609	0.5
135.04433	1.2
135.08098	0.3
135.11673	0.8
137.05963	1.1
143.01236	0.4
145.02843	3.8
145.10129	0.7
147.04372	0.9
147.11635	0.6
149.02354	0.4
149.06081	0.4
149.13280	0.3
151.07547	1.0
153.01831	1.0
153.05473	0.5
153.06973	0.6
155.08553	0.8
157.10182	0.4
159.11688	0.7
161.02353	18.9
161.13327	0.3
162.02971	0.8
163.03897	4.9
163.07524	0.6
163.11182	0.4
165.05470	0.7
165.07004	1.6
168.05656	0.5
169.06392	0.3
173.02353	32.8
173.13316	0.5
174.02779	0.5
175.03909	1.4
177.05505	0.5
181.04961	0.6
181.06473	0.3
183.08025	1.3
185.06020	0.3
189.01831	17.2
189.09218	0.4
190.02534	0.9
191.03333	0.9
191.10587	0.3
193.06450	0.5
196.05241	0.4
201.01866	2.0
201.16412	0.9
203.03418	2.1
203.07213	0.4
207.04459	0.5
210.06769	0.3
211.07571	1.8
213.05440	0.4
215.03470	0.4
215.10754	0.4
217.01332	34.1
218.01987	2.2
219.02893	100.0
220.03197	1.8
231.02914	1.7
239.07063	0.6
243.06482	0.7
243.10233	1.1
257.08145	0.5
257.15408	0.3
258.04190	0.4
259.05981	2.3
260.05655	0.7
267.21194	0.4
271.09647	2.7
282.51517	0.3
285.07550	1.0
285.22104	0.8
288.05267	0.6
288.09821	0.5
303.04913	0.9
303.08481	5.0
303.12247	1.2
303.15854	0.8
303.23199	1.9
304.11057	0.5
304.80075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29396	1.2
55.01869	1.2
55.05507	14.7
57.03439	2.5
59.04992	1.9
65.03933	1.3
67.05486	5.5
68.99773	2.3
69.03423	9.8
69.07056	3.6
69.68851	5.7
70.06595	2.7
70.31839	1.0
71.04976	4.7
74.32613	1.2
79.05470	5.0
81.03416	3.2
81.07053	9.3
82.06581	1.4
83.04985	26.9
83.08615	3.7
84.05779	1.4
84.08129	1.3
85.06494	1.1
86.09720	1.8
88.18683	1.0
89.03921	8.7
91.05488	8.1
91.58147	1.2
93.07055	7.6
95.04965	7.0
95.08607	10.6
97.06509	1.5
98.20777	2.1
99.08066	1.3
100.11259	11.8
103.05451	3.7
105.07033	6.5
107.04942	3.2
107.08586	7.7
109.06517	3.1
109.10177	8.8
111.04427	2.6
111.08111	1.2
112.07607	1.2
115.05414	2.2
117.03392	2.8
117.06995	1.5
118.04152	2.1
119.04976	1.9
119.08584	6.3
119.86554	1.0
120.08092	8.6
121.06506	3.4
121.10126	4.7
123.04434	1.3
123.08115	1.5
123.11794	2.1
127.03922	1.2
127.11196	2.4
129.03381	2.1
129.07007	1.6
131.04904	7.4
131.08594	3.0
133.10112	5.4
135.04398	1.3
135.08037	2.1
135.11694	2.1
137.02316	2.8
137.05965	4.3
137.09642	1.6
141.06998	2.2
141.11493	2.0
143.08521	2.8
145.02840	25.0
145.03850	1.2
145.06442	2.2
145.10106	4.4
146.03600	3.5
147.04407	15.7
147.11682	4.2
149.06075	2.2
151.03816	1.2
151.07570	3.7
152.06172	1.7
153.01810	2.9
153.05508	2.0
153.06946	3.0
153.12776	1.0
155.08511	4.0
155.10693	1.5
157.02826	8.2
157.10191	1.5
159.04382	3.6
159.08049	1.7
159.11673	3.3
161.06007	1.3
161.09642	1.4
161.13248	1.9
163.03864	4.0
163.07571	2.0
163.11137	1.7
165.05476	3.7
165.06999	8.3
165.09131	1.4
168.05692	2.2
169.06493	2.8
171.04431	3.0
171.08022	1.7
173.02339	66.0
174.03119	28.4
175.03984	6.1
175.14827	1.3
177.05460	1.9
179.03416	3.2
181.04982	5.3
181.06438	1.8
181.08652	1.1
182.15381	2.7
183.06084	0.9
183.08003	6.8
185.02376	6.1
185.05943	1.6
187.03880	2.6
187.07562	1.9
196.05185	2.1
197.05971	3.5
197.11592	2.8
199.03885	5.8
199.14769	2.8
201.01833	73.5
201.09082	2.2
201.16376	1.3
202.02602	100.0
203.03384	72.9
209.16537	2.0
210.06906	1.2
210.14928	2.2
211.07472	8.9
215.03342	6.9
215.07047	3.5
215.10660	1.4
215.12613	4.0
217.15984	1.7
219.06639	2.6
221.56084	1.3
225.05450	1.9
227.17520	1.4
229.05011	11.8
229.08621	3.9
239.06931	3.9
243.06519	69.0
243.10349	3.4
244.07019	1.2
257.04245	1.8
257.08093	15.9
260.05225	1.2
271.09616	7.6
271.12552	1.3
285.07553	68.2
285.16827	5.8
285.22028	3.7
288.05026	1.8
288.09946	1.7
303.04950	22.0
303.08566	35.5
303.12302	6.1
303.15930	6.2
303.23105	10.9
304.08344	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0862
Annotation	Quinquangulone
Peak:m/z	Relative Intensity
53.03935	2.0
55.01860	3.9
55.05517	18.0
57.03433	2.0
57.07074	1.7
59.04995	1.5
63.02402	1.2
65.03953	3.0
67.05177	1.4
67.05509	14.9
68.99795	2.0
69.03429	13.1
69.07073	8.0
70.06583	3.2
70.13134	5.8
71.05000	8.8
73.06527	1.1
74.74417	1.1
79.05496	12.5
81.03408	3.7
81.07057	22.5
83.04984	30.9
83.08636	3.0
84.08136	1.2
85.02927	1.7
85.06558	7.5
89.03907	11.0
91.05475	15.7
93.07046	17.8
95.04959	9.0
95.08613	20.5
97.06529	4.0
99.04462	2.3
99.08093	2.8
103.05473	3.7
105.07037	18.5
107.04957	5.2
107.08601	20.7
109.02885	3.8
109.06544	6.3
109.10163	16.3
111.00790	1.3
111.04459	3.0
111.08037	2.5
113.09636	1.4
115.05470	2.1
117.03383	3.8
117.06999	5.0
118.04139	1.6
119.04958	4.8
119.08581	12.9
120.04472	1.1
121.02863	2.4
121.06490	7.3
121.10157	11.0
122.06070	1.5
123.04437	2.2
123.08046	4.1
123.11740	6.0
125.09625	3.3
127.03918	4.2
127.07584	1.4
127.11182	7.5
128.06187	2.5
129.03369	3.4
129.07027	3.2
131.04933	9.2
131.08548	7.3
133.02826	1.7
133.10147	14.4
135.04393	3.6
135.08022	4.0
135.10815	1.2
135.11659	6.4
137.02354	3.2
137.05974	6.2
137.09610	4.9
137.13234	1.4
139.11192	2.2
141.06992	2.6
141.09108	2.7
142.07690	1.4
143.08536	5.8
143.10646	1.5
143.93039	1.4
145.02855	29.6
145.03998	1.6
145.06499	3.4
145.10143	11.2
146.03586	3.7
147.04416	22.9
147.08046	3.7
147.11720	7.8
149.02322	2.1
149.05991	3.3
149.09605	3.0
149.13258	4.9
151.07513	6.4
151.11203	2.6
153.01819	3.4
153.05515	1.5
153.06969	4.2
155.04955	1.4
155.08545	3.4
155.10628	1.3
156.09340	1.2
157.02873	13.5
157.06586	1.7
157.10146	6.9
159.04420	2.9
159.08015	3.8
159.11678	7.6
161.09634	3.2
161.13264	4.3
163.03888	5.8
163.07549	2.8
163.11148	5.2
163.14803	2.0
165.05464	3.7
165.07014	6.7
165.12794	1.8
167.03473	1.7
168.00565	3.7
168.05669	2.0
169.06502	5.9
169.10190	1.9
171.04417	5.1
171.08038	2.3
171.11601	2.3
173.02350	91.8
173.05894	2.5
173.09639	1.6
173.13261	3.9
174.03125	32.5
175.03897	9.4
175.11165	2.3
175.14830	4.8
177.01845	1.4
177.05434	2.2
177.12726	2.7
179.03421	2.5
179.10594	2.4
181.04958	8.7
181.06410	2.2
182.07310	1.7
183.02902	27.9
183.04497	2.3
183.08014	8.7
184.05309	1.2
185.02313	7.1
185.05931	2.1
185.13326	2.1
186.01616	3.2
186.03110	1.7
187.03935	3.5
187.07480	2.9
187.11232	2.0
187.14806	3.1
189.16336	2.8
193.15948	2.7
195.13797	1.4
196.05148	1.9
197.05962	4.4
197.13257	1.5
199.03882	7.6
199.14894	7.2
201.01840	87.5
201.05522	3.5
201.16364	2.5
202.02611	86.2
203.03397	73.9
203.17923	2.4
205.15994	2.0
207.04523	1.8
207.06470	1.8
211.07541	11.6
211.14928	1.8
212.08482	1.1
212.10713	3.1
213.16324	1.8
214.06374	1.5
214.12331	2.0
215.03453	8.2
215.07025	6.2
215.14360	2.0
215.18047	2.0
217.15909	5.1
219.06564	3.2
221.05977	2.1
225.05530	3.3
227.06830	2.0
229.05006	14.7
229.08601	3.9
229.13426	18.6
229.15688	2.4
239.07048	5.4
241.04941	2.1
243.06528	95.0
243.10385	4.6
243.17398	1.5
244.06842	1.8
257.04471	1.2
257.05496	1.7
257.08252	17.6
257.12854	49.8
257.22644	3.3
258.11066	1.3
259.14456	1.9
261.07477	1.6
261.85556	1.2
271.09723	9.9
274.07114	1.4
285.07593	100.0
285.12408	4.4
285.19095	1.5
285.22040	8.1
286.07889	2.4
288.09915	1.7
303.04968	27.8
303.08603	23.2
303.13101	12.4
303.16199	3.0
303.19678	1.8
303.23123	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0862
Annotation	Quinquangulone
Peak:m/z	Relative Intensity
55.01868	3.1
55.05515	14.4
59.11194	1.6
67.01872	1.8
67.05494	5.6
68.99795	2.3
69.03420	12.5
69.07062	3.8
69.72337	6.8
69.72739	3.2
71.05000	3.1
79.05486	6.0
81.03429	2.9
81.07056	9.7
83.04980	32.5
83.08614	1.7
89.03920	9.8
91.05496	8.1
93.07015	3.9
95.04967	4.1
95.08606	7.5
97.06541	1.7
98.21491	3.0
101.06071	2.7
105.07039	7.2
107.08580	4.7
109.02889	3.5
109.06522	2.3
109.10169	4.3
111.00826	1.6
117.03365	9.4
117.07043	2.4
118.04142	2.0
119.08594	3.8
121.06532	2.7
121.10112	3.8
123.11710	1.7
123.81323	1.7
127.11240	1.6
129.03394	5.5
131.04929	6.3
131.08586	3.1
133.10121	3.9
135.04391	2.8
135.08069	2.9
135.11739	2.5
137.02327	3.6
137.05927	2.0
138.76846	1.5
141.01869	1.9
141.06985	3.7
143.08585	3.1
145.02847	37.1
145.03886	1.4
145.06496	3.0
145.10168	3.7
146.03572	2.2
147.04408	19.0
147.11696	2.6
149.06021	2.4
151.07492	3.2
153.01834	36.9
153.05429	2.0
153.07039	2.8
155.08595	2.4
157.02850	11.4
159.04442	3.8
159.08102	1.9
161.13283	2.1
163.03876	2.9
165.07011	2.8
168.05707	2.1
169.06500	4.9
169.10136	1.7
171.02911	7.3
171.04320	3.6
173.02350	81.3
174.03130	28.6
174.04527	2.7
175.03937	8.3
177.05525	13.8
179.03349	4.9
181.04945	2.7
181.10318	1.8
183.02873	4.4
183.08083	4.7
185.02338	9.0
186.03015	1.9
187.03879	3.1
187.07571	3.3
189.09154	1.9
197.06018	3.5
199.03879	6.3
201.01834	100.0
201.05582	3.1
201.09109	2.4
202.02615	92.0
203.03389	89.2
211.07536	6.5
215.03400	6.5
215.06952	8.5
217.15775	2.9
225.05504	2.0
229.04990	14.6
229.08549	4.2
234.58673	1.7
239.07047	3.7
243.06541	88.1
243.10361	4.0
244.06918	2.7
245.04521	4.6
254.51071	2.1
257.08109	15.5
260.05939	2.9
264.86655	1.7
271.09628	2.9
285.07574	80.4
285.14749	2.9
285.22266	4.4
285.26816	1.7
286.07904	4.0
288.05203	5.9
303.04965	27.5
303.08545	34.2
303.12341	4.3
303.15982	6.4
303.23172	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	303.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23308	1.9
53.03942	3.4
55.01863	7.5
55.05507	8.4
56.05029	3.2
56.42612	2.1
56.96564	60.0
56.96848	3.9
57.03434	22.4
58.99858	2.2
60.05643	4.5
61.02925	41.3
69.03430	53.2
69.07058	3.7
69.80360	1.7
69.87165	11.5
70.06591	24.4
70.98136	4.6
71.01363	1.9
71.04993	6.6
71.95263	3.7
72.08151	21.3
72.24351	1.6
72.96050	1.6
73.02916	29.5
73.06539	3.2
74.97610	3.5
77.00897	1.7
81.03411	17.0
81.04562	1.8
81.07039	3.6
82.05320	1.9
82.34961	1.7
83.00782	2.8
83.04984	4.3
84.04497	9.2
84.08143	65.4
84.96038	16.1
85.02901	72.9
86.03245	3.0
86.09705	9.1
86.99291	1.8
87.04486	9.4
88.99178	3.4
91.03958	4.3
91.05456	4.7
92.01288	2.6
93.07033	3.4
95.04956	3.8
95.06078	6.2
95.08611	5.0
96.01567	4.6
97.02891	36.4
97.96790	2.0
98.01311	3.3
98.03197	1.6
98.20823	2.1
98.97580	100.0
99.04432	7.5
101.00807	5.7
101.02419	2.1
101.06033	1.8
101.10761	2.6
101.29010	1.7
102.05495	1.9
102.97068	2.6
103.02441	5.5
105.00375	1.8
105.03396	9.5
107.01821	2.4
107.08606	3.9
109.02879	8.6
110.01262	12.2
110.07159	2.8
110.97561	17.7
111.05576	1.8
112.08723	3.7
112.99120	6.0
113.02393	3.2
114.05547	5.9
115.02391	2.0
115.03951	2.6
116.07073	6.3
116.98612	62.7
117.02071	4.6
119.01817	41.4
119.08599	3.0
119.51932	2.5
121.03516	2.6
121.06450	3.5
123.05549	9.4
124.95541	3.9
125.01768	3.0
126.03487	1.8
127.03911	26.7
128.02316	31.8
128.52478	3.0
128.98605	23.9
129.04031	3.2
129.10243	34.2
130.08673	5.3
131.00186	7.1
131.01817	12.9
132.00699	1.8
133.01624	2.1
133.03477	2.5
134.99644	31.2
135.03223	2.0
137.01842	3.1
137.02879	10.3
139.53140	1.9
140.00224	3.1
140.02342	4.5
140.08203	3.0
140.98636	3.7
141.01245	3.1
141.06564	35.7
141.10234	3.0
142.96518	5.0
143.00162	9.7
143.01863	4.0
144.10196	5.7
144.98076	3.8
145.01624	2.2
145.03578	2.6
145.04945	14.3
146.02267	4.7
146.99640	24.5
147.01360	3.3
147.11296	3.9
148.02034	2.2
149.01242	6.9
149.03062	1.8
150.01770	2.5
152.02354	3.9
153.04146	1.9
154.01994	2.5
155.02846	5.3
156.01764	1.9
157.03514	1.9
158.09236	3.6
158.99655	22.3
160.02022	3.7
160.97581	2.3
161.01256	13.4
161.02881	9.4
162.01787	7.9
162.99127	4.5
163.02686	3.2
165.00684	9.0
168.01846	4.7
169.02583	5.3
170.03409	3.2
170.99666	14.8
171.01003	2.8
172.99294	2.1
173.01248	6.1
173.02913	6.3
173.52638	2.7
174.01846	4.9
174.99168	7.9
175.02672	2.5
175.11955	4.5
177.00723	27.6
177.02316	6.7
177.05618	2.3
178.03143	2.5
178.98752	2.9
179.02280	3.1
182.03372	8.4
183.02333	17.1
183.14906	2.0
183.52484	2.2
184.97670	7.3
185.09192	10.2
186.99126	5.8
188.97127	10.3
189.00714	31.7
189.02406	4.1
189.04282	5.9
190.98697	5.8
191.02252	8.0
191.03912	21.8
192.02832	12.7
193.00255	8.7
193.01756	2.3
195.01738	2.9
197.52321	2.6
198.02802	3.8
198.04605	3.0
199.00891	4.1
199.03934	2.2
200.04413	23.0
200.54555	2.4
201.00728	11.4
201.06134	5.4
202.98607	12.6
204.02827	19.4
204.53073	2.8
205.00235	12.9
205.05684	2.0
206.98132	8.9
207.01697	11.0
207.05226	13.1
209.04904	7.2
211.55338	2.0
212.97005	2.6
213.03386	66.6
213.53622	6.9
215.53711	2.3
217.00272	6.0
219.01721	22.8
219.03632	2.0
220.99702	7.2
222.03905	27.3
223.01247	7.4
224.54201	5.5
229.00153	2.7
230.98085	16.0
231.03581	2.9
232.99593	2.4
233.54689	4.6
235.01248	7.6
237.02812	16.8
240.13379	3.8
242.03433	2.2
242.99895	2.9
244.99637	4.4
247.01317	6.5
248.99216	5.5
255.04070	3.5
257.22467	2.4
258.06503	2.1
261.03064	3.3
263.00854	10.5
264.04938	4.5
265.03082	1.8
267.00208	3.2
275.00696	5.9
279.04297	3.7
279.07434	23.4
280.11145	2.0
281.01791	8.4
285.10873	2.0
285.15759	2.4
286.14545	5.0
293.01617	2.2
294.05981	5.3
297.08661	2.8
302.09033	3.5
303.04968	3.9
303.10468	10.5
303.17386	15.4
303.20743	10.9
303.23248	3.5
305.01788	4.7
313.62982	1.9
321.08682	6.8
323.02875	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
53.75558	0.1
55.01865	0.4
65.03928	0.6
67.01852	0.2
67.05483	0.3
68.99451	0.1
68.99795	2.0
69.03416	0.3
69.66657	0.2
69.67068	0.5
70.06615	0.1
77.03939	0.1
79.98116	0.1
81.03409	0.7
81.07018	0.2
82.60159	0.1
91.05479	0.2
93.03412	0.6
95.04957	0.9
95.08608	0.1
97.02873	0.2
98.20812	0.2
103.05488	0.2
103.98971	0.1
105.03406	0.2
105.07027	0.3
107.04974	0.2
107.08576	0.2
109.02874	1.2
110.03745	0.1
111.00800	2.2
115.05461	0.4
117.07009	0.3
119.04919	0.1
119.08590	0.1
121.02873	2.5
123.04441	0.9
127.03929	0.4
129.07072	0.2
131.04932	0.4
133.02896	0.2
133.06453	0.2
135.04396	0.5
137.02344	7.2
137.03392	0.5
137.05933	0.2
139.19421	0.1
145.02892	0.2
145.06482	0.8
146.05972	0.2
147.04369	0.2
149.02344	0.9
151.03966	0.1
153.01831	10.4
154.02190	0.3
155.04912	1.0
155.06047	0.2
157.06476	0.1
159.04419	0.3
161.05984	0.7
163.03906	1.3
165.01845	3.6
165.05548	0.1
166.02690	0.5
173.05986	1.2
177.01930	0.2
177.05461	0.4
179.03343	0.6
183.02884	1.6
183.04445	0.9
183.08081	0.1
187.03934	0.9
191.03558	0.2
191.06993	0.3
193.04910	0.2
194.02147	0.1
195.02873	0.5
201.05481	4.6
202.05804	0.2
204.04457	0.1
205.04970	0.4
207.02838	0.3
211.03943	0.5
213.05562	0.2
213.09302	0.1
215.03357	0.2
219.02982	0.2
219.06569	0.5
228.04173	0.6
229.04961	9.0
230.05264	0.3
232.03668	0.2
233.04382	0.1
239.03412	0.3
245.04446	0.2
246.05223	0.2
247.06056	1.3
257.04446	5.1
258.04825	0.2
274.04706	1.2
275.05435	0.4
285.03955	2.3
303.04990	100.0
304.05338	4.8
304.08090	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	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03938	0.2
55.01855	0.4
55.34312	0.1
65.03938	0.6
67.01848	0.4
67.05490	0.4
68.99444	0.2
68.99786	2.1
69.03415	0.4
69.07063	0.1
70.06554	0.1
70.50604	0.3
79.05476	0.1
81.03413	0.8
81.07048	0.2
83.04974	0.1
85.02849	0.1
86.09697	0.2
87.10003	0.1
89.03944	0.1
91.05480	0.3
93.03400	1.0
93.07021	0.1
95.04961	0.9
95.08587	0.2
95.86095	0.1
97.02830	0.1
103.05469	0.2
105.03377	0.3
105.07020	0.2
107.04932	0.3
107.08592	0.2
109.02875	1.2
110.03641	0.2
111.00794	1.9
111.04408	0.2
115.05460	0.3
117.07000	0.4
119.04963	0.1
121.02863	2.5
121.06467	0.2
123.04414	0.8
127.03899	0.5
129.07004	0.2
131.04922	0.4
131.08546	0.2
132.08014	0.1
133.02850	0.2
133.06482	0.2
133.98795	0.1
135.04420	0.6
135.07997	0.1
137.02338	7.7
138.02672	0.2
143.11844	0.1
144.12125	0.1
145.02826	0.2
145.06473	0.7
147.04401	0.2
149.02353	0.8
151.03894	0.2
153.01822	11.1
154.02144	0.2
155.04913	1.2
155.06053	0.2
157.06514	0.2
159.04375	0.4
161.06024	0.6
163.03905	1.4
165.01828	3.9
166.02626	0.6
170.24246	0.1
171.02916	0.2
171.04375	0.1
171.11684	0.1
173.02469	0.2
173.05963	1.7
177.01999	0.1
177.05496	0.4
179.03354	0.5
183.02876	1.8
183.04430	1.1
184.04997	0.1
187.03879	1.0
191.03387	0.3
191.07053	0.2
195.02834	0.6
200.04796	0.2
201.05463	4.4
202.05739	0.2
203.03406	0.3
205.05045	0.5
207.02893	0.3
211.03889	0.3
213.05496	0.3
215.03352	0.3
217.04959	0.2
219.03047	0.2
219.06554	0.6
228.04225	0.7
229.04964	10.0
230.05333	0.3
232.03690	0.2
239.03423	0.4
239.32751	0.1
240.11357	0.2
243.02750	0.1
245.04509	0.3
246.05180	0.2
247.06015	1.5
247.93785	0.1
256.10849	0.3
257.04425	4.9
258.04944	0.2
274.04706	1.5
275.05450	0.4
285.03934	2.6
286.04453	0.3
286.11810	0.3
303.04968	100.0
304.05319	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1748
Annotation	Ractopamine
Peak:m/z	Relative Intensity
54.01657	0.5
55.05507	3.4
57.07062	2.4
58.94815	0.7
59.04992	0.6
60.31079	0.6
60.71653	0.5
67.05488	1.7
69.07064	5.8
69.87004	1.6
69.87414	1.5
70.06580	2.3
71.08665	0.6
72.00876	13.8
72.32076	0.6
73.18013	0.6
79.05474	1.8
81.03430	0.7
81.07056	3.9
83.08604	1.3
88.07623	3.2
91.05444	1.2
94.06538	0.5
95.04953	1.3
95.08591	2.2
97.10177	1.1
98.20782	1.2
102.09158	1.4
104.04948	0.7
105.03369	1.1
105.06992	0.6
106.04137	1.3
106.06537	1.1
106.08656	1.9
107.04959	10.3
109.10099	0.8
109.15638	0.5
111.11700	0.6
118.96388	0.6
119.04949	0.7
121.06503	1.7
122.06027	0.7
123.00827	0.6
123.11697	6.3
131.08554	0.7
132.04434	1.1
133.02863	4.2
133.05214	1.2
133.06490	1.7
134.03648	4.2
134.05991	2.5
135.04414	39.0
135.05406	1.4
137.13264	0.7
145.06516	1.3
146.07278	0.6
147.04391	1.9
147.08066	1.2
149.09622	1.5
150.05484	0.9
151.03891	2.5
159.08092	3.4
160.03934	1.0
161.04706	3.8
161.06010	1.4
161.09641	1.3
162.05482	1.3
173.09680	0.7
174.05475	1.7
175.07529	3.8
175.11212	0.9
178.04990	100.0
179.05325	1.3
180.06593	0.8
187.07553	1.8
188.07028	1.4
192.06554	15.8
200.06967	0.8
201.09082	2.1
202.08540	1.3
203.09465	0.6
206.08116	6.7
211.09750	0.7
214.08694	1.1
219.07544	0.7
220.09709	12.4
225.25998	0.7
228.10175	0.8
229.15903	1.3
231.17561	1.0
234.11197	1.4
246.11316	3.3
257.15363	10.7
262.49936	0.5
274.18002	0.7
284.16403	1.2
284.29446	1.3
287.16534	0.8
302.17496	87.5
302.30508	26.7
303.17761	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	302.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87870	0.7
50.98596	0.7
55.01862	0.9
55.05516	6.4
55.54957	0.8
56.05023	1.5
60.04508	1.0
67.05511	1.5
69.03432	1.6
69.07070	1.8
70.06201	1.5
70.06590	27.9
71.05000	0.9
71.53148	0.9
71.53525	1.0
72.08154	100.0
79.05485	1.0
81.03400	1.5
81.07039	1.4
82.02946	0.8
82.06570	1.7
83.05035	1.0
84.04495	0.9
84.08134	6.6
85.02901	2.0
86.09703	45.5
91.05475	1.1
93.07011	1.2
95.04958	1.4
95.08616	1.8
95.73331	0.9
100.07606	1.8
103.05547	1.0
109.02834	1.7
110.07183	1.3
112.07597	17.5
118.08624	1.1
120.08099	1.9
121.02840	1.2
123.08059	1.4
127.03971	1.3
128.07076	8.4
129.10265	1.5
132.10202	7.2
138.09100	0.9
140.07069	5.4
142.08705	1.1
143.11794	69.4
144.12192	1.1
153.01843	1.1
157.13362	15.1
158.08109	2.3
171.11290	30.8
173.06029	1.0
182.08167	1.7
185.12856	7.4
186.05499	1.4
187.06293	9.1
189.12306	0.9
193.12285	1.3
201.12421	1.1
203.13885	1.5
207.06573	1.1
210.14754	0.9
215.05647	4.2
229.05112	1.2
230.08080	9.6
230.10008	1.0
231.08359	0.8
231.17084	3.6
258.07553	4.3
259.04697	1.0
260.05533	2.3
274.04294	1.0
274.07266	1.3
302.03387	1.9
302.06625	28.9
302.11420	2.2
302.15878	3.0
302.19229	1.5
303.05011	11.9
303.08746	2.4
303.12979	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03944	0.2
55.01878	0.7
57.03462	0.2
57.47432	0.1
60.43739	0.1
65.03928	0.5
67.01852	0.6
67.05495	0.6
68.99785	2.4
69.03424	0.4
69.63349	0.3
69.63770	0.7
70.06590	0.7
71.04985	0.2
72.08135	0.3
77.13721	0.1
79.05466	0.3
81.03424	0.9
81.07042	0.5
84.08135	0.4
85.02866	0.2
86.09689	0.5
91.05486	0.7
93.03399	0.6
93.07040	0.3
95.04961	0.8
95.08590	0.6
97.02869	0.2
97.06544	0.2
103.05412	0.2
105.03375	0.2
105.07043	0.3
107.04957	0.2
109.02872	1.1
110.06171	0.1
110.07117	0.3
111.00803	1.8
111.04491	0.2
115.05451	0.4
117.07024	0.5
119.04963	0.2
121.02868	2.4
121.06469	0.2
121.10124	0.2
121.79123	0.1
123.04444	0.8
123.08038	0.3
127.03902	1.2
131.04950	0.3
133.02863	0.2
133.10075	0.1
135.04369	0.7
135.11711	0.1
136.07497	0.2
137.02344	9.6
137.03409	0.7
137.05936	0.2
139.03897	0.2
143.04865	0.3
144.72449	0.1
145.06435	0.7
149.02310	1.0
151.07510	0.2
153.01823	10.1
154.02139	0.3
155.04907	1.1
155.06084	0.2
157.06482	0.3
159.04434	0.4
161.05992	0.6
163.03918	1.7
165.00407	0.2
165.01830	4.2
165.05513	0.2
165.07004	0.2
166.02576	0.6
171.02954	0.3
173.05997	1.5
177.05453	0.3
179.03391	0.4
179.06979	0.2
183.02878	1.5
183.04422	1.2
183.08012	0.2
184.05016	0.1
187.03946	1.0
191.03392	0.4
192.83328	0.2
195.02940	0.3
197.05930	0.1
200.04593	0.2
201.05473	4.8
205.04941	0.4
207.02917	0.2
211.03981	0.4
211.07565	0.2
213.05449	0.3
215.03369	0.2
217.05014	0.2
219.06456	0.3
228.04137	0.6
229.04956	8.8
230.05437	0.2
232.03636	0.2
233.04350	0.2
239.03355	0.6
245.04515	0.3
247.06029	1.2
257.04446	4.9
258.05124	0.3
261.07639	0.1
261.10645	0.2
271.09695	0.4
274.04666	1.1
275.05316	0.5
285.03912	2.2
302.04056	0.2
303.04980	100.0
304.05334	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	302.1019
Annotation	CHEBI:69045
Peak:m/z	Relative Intensity
53.08908	0.2
53.12730	0.2
62.35844	0.2
62.83546	0.1
69.45632	1.2
81.07039	0.2
98.20792	0.4
105.46601	0.2
178.04922	0.4
182.01651	0.2
183.06796	0.4
184.07570	0.2
186.05435	0.2
187.06311	0.3
198.05489	2.4
199.06300	0.3
211.06267	1.1
212.07086	2.4
214.04994	0.4
215.05756	2.2
216.06430	0.2
226.05069	0.6
227.05762	0.2
229.07336	0.7
240.06520	1.0
241.07327	7.1
242.08105	0.5
243.05281	2.2
244.06044	4.3
247.23178	0.2
256.06097	0.9
257.06775	0.9
258.07614	64.7
259.07980	1.5
269.06818	30.5
270.07547	5.2
271.08325	0.6
272.03287	0.1
272.05508	5.7
273.06305	1.4
284.05490	2.5
286.07095	23.9
287.07864	27.9
288.08212	0.5
302.10214	100.0
303.05014	0.3
303.10571	2.3
305.33823	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1749
Annotation	Cocculitine
Peak:m/z	Relative Intensity
54.95828	0.5
55.05494	1.3
56.60989	0.5
57.03429	0.6
67.05485	1.1
70.61893	1.0
70.62229	0.7
75.04462	1.6
83.04972	1.3
85.06522	1.6
115.05435	1.8
117.22297	0.6
126.50420	0.5
130.06534	7.0
142.06514	40.5
143.07309	11.1
144.08093	6.1
154.06505	1.3
155.07172	0.7
156.08078	10.4
157.05186	1.6
157.06430	0.6
157.08820	0.6
158.06012	1.2
160.07556	10.1
167.07320	3.2
168.08064	3.7
169.08873	2.4
170.06009	4.1
170.09613	3.1
172.07593	2.6
180.05504	0.7
180.08070	2.1
181.08853	63.1
182.09578	4.2
183.09044	0.7
183.10419	1.8
184.11209	13.2
194.09625	4.6
195.10420	2.4
196.11208	22.5
200.10698	1.3
201.11522	0.6
202.12231	3.6
209.08405	0.9
212.10686	19.3
213.11151	0.8
214.12251	100.0
215.12608	2.1
224.10684	3.6
227.13033	1.7
228.13843	2.2
230.11739	10.1
231.12181	0.9
236.14395	1.0
238.15926	2.6
242.11745	35.0
243.12112	1.0
254.15373	1.1
256.16953	15.7
258.14905	0.9
266.15396	8.7
272.84888	0.6
284.16422	23.6
285.16946	0.8
302.06616	1.1
302.10214	1.9
302.17477	4.7
303.04883	0.8
305.82092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1749
Annotation	1-Hydroxycryprochine
Peak:m/z	Relative Intensity
55.05500	1.5
57.03428	1.1
59.05004	0.6
67.05499	1.8
70.61774	1.5
75.04466	1.9
81.07056	0.7
83.04963	1.3
85.06548	1.3
87.74657	0.5
98.20857	0.5
115.05442	1.3
130.06520	6.1
131.04907	1.9
135.04456	0.7
142.06520	44.6
143.07327	10.4
144.08090	6.5
148.07622	0.7
154.06468	1.8
156.08078	10.0
156.13780	0.5
157.05206	1.4
158.06003	1.4
158.09608	0.6
160.07582	13.6
167.07288	2.8
168.08060	3.7
169.08868	2.9
170.06017	4.1
170.09615	2.5
172.07562	2.4
180.05493	0.7
180.08081	3.1
181.08864	64.5
182.09599	3.5
183.09076	0.5
183.10446	1.2
184.11214	14.7
186.09135	0.6
194.09622	4.2
195.10432	2.1
196.11218	24.5
198.09196	0.6
201.11391	1.1
202.12306	3.0
209.08401	0.8
210.12711	1.1
212.10710	19.2
213.11249	0.6
214.12263	100.0
215.12564	1.5
223.13519	0.7
224.10690	3.5
227.13104	1.3
228.13785	2.5
230.11768	8.9
238.15927	1.9
242.11760	31.7
243.12059	0.8
254.15350	0.8
256.16959	14.4
257.14484	0.7
266.15414	7.2
284.16446	23.4
287.07825	1.1
302.06680	1.4
302.10272	3.9
302.17447	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	302.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.4
67.05544	1.0
68.99834	0.4
69.03461	0.3
69.07098	0.6
69.72381	0.6
69.72773	0.9
70.06593	2.8
71.05030	0.3
74.09378	0.3
79.05548	0.4
80.55677	0.3
80.74001	0.3
81.03427	0.4
81.07108	1.1
82.07451	0.3
84.08218	0.4
89.94105	0.3
91.05542	1.2
92.05852	0.4
93.07079	0.5
95.05032	0.4
95.08656	0.8
98.21410	0.5
98.97614	0.4
103.05508	0.4
105.07056	0.7
107.05010	0.5
107.08649	0.6
108.08929	0.3
109.10228	0.8
112.07603	1.5
119.04991	0.6
119.08664	0.7
121.06537	0.4
126.79955	0.3
130.06586	0.4
131.04892	0.3
135.04471	0.5
136.01622	0.3
137.06039	0.4
145.10172	0.3
146.06053	0.5
146.39120	0.3
147.04471	0.6
151.07593	0.5
153.01883	0.5
153.05542	0.3
153.07072	0.4
157.05402	0.3
158.06091	0.9
160.03987	1.1
165.07024	0.7
174.05547	0.9
175.06360	1.0
181.04947	0.6
181.06514	0.5
181.08722	0.5
182.06969	0.4
183.02916	3.0
183.08067	0.5
184.11255	0.4
185.04796	0.9
186.05458	2.2
196.11183	0.4
199.02541	0.7
199.07381	0.5
200.03163	1.0
202.04993	7.4
202.06775	0.4
203.05759	4.0
204.08490	0.4
211.07562	0.5
212.18077	0.3
213.04199	9.9
214.05005	4.1
214.09488	0.4
214.12325	0.3
216.02890	0.7
217.03796	0.7
224.03419	0.7
227.02310	0.7
227.06638	0.4
228.02907	2.4
228.06567	0.6
230.04459	3.5
230.08109	0.4
231.05241	5.1
241.03615	3.3
242.04485	12.6
242.08546	0.5
243.04994	0.7
243.10223	0.4
244.02472	1.1
245.03227	2.1
246.03984	0.3
246.07742	0.6
256.06091	1.3
258.03983	2.6
259.04761	22.2
260.05505	4.6
270.04117	0.5
271.09622	0.8
274.07071	5.1
284.05560	1.9
284.20694	0.3
286.03467	0.7
287.04251	39.9
288.04648	1.7
302.06604	100.0
302.10785	3.3
302.21875	1.4
303.07214	2.1
303.12381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1023
Annotation	CHEBI:69045
Peak:m/z	Relative Intensity
55.01881	0.2
55.34908	0.1
69.52450	0.1
69.52790	1.0
70.06574	0.1
78.90812	0.1
81.07076	0.2
81.57471	0.1
91.05460	0.2
98.21508	0.2
108.20201	0.1
119.08653	0.1
120.04430	0.2
144.11241	0.1
145.02708	0.2
147.13704	0.1
158.05988	0.4
170.05984	1.3
181.08920	0.2
183.06737	0.2
184.07567	1.1
185.08368	0.7
186.05428	0.2
187.06241	1.3
196.07582	0.4
198.05499	6.8
199.06137	0.3
212.03621	0.1
212.07085	2.7
213.07823	3.6
214.04971	0.6
215.05748	0.2
216.06636	0.2
224.03300	0.2
224.06897	0.2
226.04980	10.3
227.05643	0.2
228.06638	0.5
230.04512	0.4
239.05750	1.6
240.06569	2.4
241.07341	45.4
242.04562	1.6
242.07674	1.2
243.05273	1.1
244.02345	0.2
244.06039	3.3
254.04555	0.2
255.05386	0.2
256.05991	0.4
257.06870	0.6
258.03775	0.2
258.04614	0.2
258.07629	2.1
259.04837	0.4
259.07816	0.2
269.06830	34.2
270.07257	1.0
271.04782	0.2
272.05539	6.9
273.06055	0.4
274.07123	0.4
284.09149	0.2
286.07114	3.0
287.07880	46.4
288.08292	1.1
302.10223	100.0
303.05051	0.4
303.10577	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	301.2161
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
51.42788	0.5
53.03935	1.1
55.05510	13.5
57.03433	0.8
57.07076	4.5
58.07407	0.9
62.06091	25.6
63.06433	3.3
64.37505	0.5
65.03937	1.5
67.05506	21.2
69.03413	0.9
69.07066	10.5
71.04990	0.5
71.08632	1.9
71.53688	0.9
72.08929	0.9
79.05489	9.2
81.07056	16.6
83.04993	1.9
83.08614	5.9
85.06538	1.1
85.10152	1.0
91.05474	13.5
93.07042	23.9
95.04967	2.4
95.08605	100.0
96.08938	1.5
97.06509	1.4
97.10177	3.9
103.05454	0.8
105.07028	21.3
107.04939	3.1
107.08593	28.4
109.06512	1.3
109.10155	17.0
109.30578	0.6
111.04462	4.7
111.08060	0.8
111.11755	0.8
117.07027	4.8
119.06048	0.6
119.08580	21.8
121.06506	1.1
121.10143	20.3
123.08099	0.8
123.11703	7.2
125.05992	6.7
125.09576	0.6
129.06995	3.3
130.07848	0.8
131.08553	7.2
133.06479	1.4
133.10124	17.1
135.08110	1.1
135.11697	14.0
137.05988	3.0
137.09518	0.9
137.13216	0.7
139.07507	1.3
141.06969	1.4
142.07808	1.5
143.08571	6.2
144.09264	1.0
145.10126	11.4
147.08012	1.1
147.11687	11.2
149.05960	0.7
149.09518	0.8
149.13255	6.0
151.07579	1.6
153.09059	0.7
155.08585	1.3
156.09334	2.4
157.08966	0.8
157.10133	8.8
158.10823	0.8
159.08049	0.7
159.11690	11.5
159.44955	0.6
161.09608	3.9
161.13260	7.7
163.07529	1.1
163.11162	0.8
163.14809	3.6
165.09071	1.6
167.08632	0.8
169.10132	2.2
170.10915	1.2
171.08025	1.1
171.11671	8.6
172.08882	0.6
173.09615	1.9
173.13269	6.1
175.11198	1.5
175.14848	1.9
177.09074	0.8
179.10706	4.6
183.11758	1.8
184.08823	0.6
184.12317	0.7
185.09581	1.4
185.13243	6.9
187.11162	4.8
187.14771	3.0
189.09076	0.7
189.12651	0.8
189.16333	1.0
191.10661	2.0
193.12309	1.2
195.11658	1.5
197.13231	1.1
199.11208	3.3
199.14812	4.8
201.12732	2.1
201.16327	4.3
203.10681	2.3
203.17998	6.2
205.12238	4.8
207.13750	1.6
209.13297	0.8
213.12837	3.5
213.16382	1.8
215.18044	0.7
217.12233	4.3
219.13731	3.3
223.14789	1.0
227.14311	2.0
227.17874	1.0
231.13855	6.4
233.15332	0.7
239.17929	3.2
241.15874	1.7
241.19495	5.9
245.15486	5.1
255.21130	6.6
256.21246	0.9
257.22540	0.8
259.16922	1.6
265.19455	2.0
273.18692	0.7
273.22165	0.9
283.20517	10.1
283.28207	0.8
284.26672	2.5
301.07144	1.2
301.21600	59.5
301.28958	4.5
302.21948	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	301.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41095	0.5
60.05699	0.5
61.81422	0.6
67.22538	0.5
69.07068	24.4
69.37674	4.6
73.25799	0.5
74.78664	0.5
78.04721	0.7
106.04137	0.6
115.17902	0.5
130.72060	0.6
131.04906	1.1
134.03622	3.3
147.04344	1.0
159.04396	2.5
161.02296	1.0
162.03101	7.1
172.01534	0.8
173.02339	1.5
174.03084	0.6
175.03793	0.6
187.03909	1.8
189.01799	1.4
190.02647	3.6
200.01057	0.8
201.01939	0.7
202.02582	2.5
215.03380	8.1
217.01314	9.7
218.02107	68.8
219.02553	0.7
230.02068	8.3
231.02852	2.0
232.03671	0.7
233.04446	100.0
234.04800	2.1
245.04440	6.6
305.39877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05512	9.6
64.22513	1.7
67.05509	16.4
68.30020	1.8
69.06730	1.8
69.07053	11.1
69.22198	1.8
69.31931	3.7
69.32339	14.9
79.05478	10.2
81.07046	14.5
83.08634	4.7
91.05491	10.6
93.07037	23.0
95.08609	100.0
95.15228	2.3
96.08886	2.2
97.10131	2.4
98.21460	4.0
105.07037	19.2
107.08583	30.2
109.10165	14.7
111.04436	2.7
117.07034	3.3
119.08575	21.5
121.10137	21.0
123.11691	9.3
125.05990	8.1
129.07008	2.2
131.08559	7.1
133.10133	18.3
135.11676	12.9
143.08536	6.6
144.78096	1.9
145.10085	7.1
147.11691	7.2
149.13226	6.3
157.10133	6.0
159.11696	12.4
161.09634	3.6
161.13248	7.8
163.14784	5.0
169.10085	2.8
171.11650	9.3
173.09628	2.3
173.13234	5.7
177.09119	2.3
179.10606	5.0
185.13243	7.2
187.11200	4.7
187.14757	3.2
199.14792	7.1
201.16402	2.6
203.17946	7.9
205.12238	5.7
213.12685	2.4
213.16345	3.0
217.12309	4.8
219.13957	1.9
227.14171	4.6
231.13783	8.8
239.18015	2.7
241.19569	5.7
245.15440	4.4
255.21072	8.6
259.16785	2.7
283.20508	8.0
301.21597	59.4
302.21970	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	301.0708
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.08524	0.1
56.20427	0.2
59.48882	0.1
65.99136	0.1
67.05495	0.3
69.07069	0.2
69.97897	0.7
71.04979	0.1
79.05487	0.2
81.07034	0.5
91.05466	0.5
93.07040	0.4
95.04952	0.2
95.08582	0.4
105.07038	0.3
107.08576	0.4
109.10137	0.2
119.08590	0.2
121.06522	0.2
121.10147	0.2
123.11693	0.2
124.27029	0.1
133.10083	0.3
135.11725	0.1
138.61658	0.1
141.07060	0.2
149.05940	0.2
152.06157	0.1
153.01833	1.3
153.06979	0.2
159.11720	0.2
165.06950	0.4
181.06480	0.7
183.08051	0.2
184.05051	0.1
198.06818	0.3
211.07556	0.2
213.09041	0.2
223.07529	0.2
226.06281	0.3
229.04996	1.7
241.08630	0.4
255.20978	0.2
257.04431	0.8
258.05249	35.8
259.05585	1.6
269.08090	0.2
286.04724	51.1
287.05099	1.7
301.07074	100.0
302.07370	3.9
302.10486	0.2
314.53018	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0706
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
53.03943	0.3
55.01862	0.6
55.05510	1.3
57.03417	0.5
57.45304	0.3
59.04988	0.8
65.65036	0.3
67.05505	2.2
68.99787	0.6
69.03426	0.4
69.07069	1.6
71.04970	0.9
77.03908	0.3
79.05486	1.8
81.03403	0.6
81.07058	2.7
81.25135	0.3
82.71724	0.2
83.04978	0.4
83.08611	0.4
85.06533	0.5
91.05479	3.2
93.07043	2.2
95.04942	1.1
95.08609	3.6
97.06513	0.6
97.10138	0.5
98.21629	0.5
99.00840	0.2
105.07021	2.7
107.04957	1.0
107.08596	2.7
109.02890	0.4
109.06499	0.7
109.10169	2.0
111.08070	0.6
112.01595	0.4
117.06998	0.9
119.04943	2.7
119.08594	2.4
120.05721	1.1
121.02878	1.7
121.06483	0.6
121.10131	1.8
123.08030	0.3
123.11681	1.0
124.22569	0.2
127.00269	0.7
128.06192	0.5
129.06993	0.7
131.04913	0.3
131.08595	1.5
133.02855	0.3
133.06499	0.4
133.10147	2.2
135.04401	1.0
135.08035	0.6
135.11726	1.2
136.04723	0.4
137.05954	0.8
137.09628	0.6
139.07558	0.3
140.01030	0.5
141.06984	0.8
142.07722	0.6
143.08545	0.9
144.09338	0.4
145.06488	0.7
145.10086	2.1
147.04430	1.4
147.11647	1.0
149.05946	0.6
149.09598	0.3
149.13278	0.3
151.03815	0.3
151.11255	0.4
152.06203	1.3
153.07005	3.0
154.07613	0.4
155.04895	0.4
155.08551	0.7
156.05653	0.3
157.06519	0.7
157.10120	1.5
158.07172	0.3
159.11665	1.6
160.05190	0.9
161.05963	0.6
161.09598	0.4
161.13188	0.3
163.03938	0.8
163.11176	1.2
165.05545	0.6
165.06987	2.3
166.07767	0.4
167.04874	0.4
167.08522	0.6
168.00531	3.6
168.05676	0.7
169.06456	1.0
169.10110	0.5
170.07263	0.7
171.04419	0.4
171.08107	0.5
171.11691	0.9
173.05998	0.3
173.09601	0.4
173.13286	0.5
174.06715	0.3
175.03857	0.9
175.11108	0.3
177.05466	0.4
177.07018	0.3
177.09116	0.3
178.04964	0.4
179.05217	0.6
180.05737	0.4
181.04974	0.4
181.06454	3.4
182.07222	1.1
183.04456	0.6
183.08026	0.9
184.05241	1.3
185.06006	0.3
185.09734	0.4
185.13290	0.7
186.01602	3.0
187.03937	0.7
187.07542	0.9
187.11203	0.5
187.14748	0.5
188.04735	0.3
189.05424	0.3
193.06511	0.3
195.04401	5.3
195.08093	0.9
195.11702	0.3
196.05145	0.5
197.05992	1.2
197.13277	0.5
198.06769	2.3
199.07535	0.6
199.14754	1.9
201.05383	0.3
201.16368	0.6
202.06378	0.5
207.04561	0.3
208.05200	0.4
209.05927	0.7
211.03967	0.4
211.07547	0.8
212.04605	0.4
212.08124	0.5
213.05522	0.8
213.09010	1.5
213.12645	0.3
213.16411	0.5
215.03387	0.5
215.07028	0.4
215.14299	0.4
215.18025	0.4
223.07492	1.1
225.05450	0.4
226.06178	1.9
227.07002	0.8
229.05124	0.4
229.22377	0.4
234.05246	1.2
240.04112	1.8
241.08583	2.5
241.19441	0.4
242.04503	0.4
242.09373	0.4
243.17680	0.4
251.07112	0.4
255.11191	0.4
255.13576	0.3
255.21019	0.4
256.14114	0.9
257.04504	1.3
258.05212	1.9
258.09067	0.3
259.04736	0.8
259.10730	1.0
269.07983	0.6
269.17432	0.4
272.10602	0.3
273.11389	0.4
283.15179	0.4
283.20621	1.1
283.23935	0.3
285.03976	2.4
286.04712	100.0
287.04825	4.1
300.02554	1.6
301.07108	89.8
301.10629	12.4
301.21606	5.8
302.06937	6.2
302.10657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.01867	0.3
55.05499	0.4
56.84457	0.1
57.03423	0.2
60.19557	0.1
65.03944	0.2
67.05507	0.8
68.99781	0.6
69.03410	0.5
69.07042	0.5
70.06584	0.8
71.04968	0.2
71.53035	0.2
72.08166	0.2
77.03886	0.2
79.05473	0.6
81.03400	0.5
81.07069	1.4
83.04961	0.3
83.08571	0.2
84.02145	0.2
84.08119	0.3
85.02888	0.3
85.06535	0.2
86.09692	0.6
91.05479	0.9
93.07046	0.7
95.04939	0.4
95.08625	1.1
97.02887	0.2
97.06535	0.2
99.00808	0.5
99.04498	0.2
103.05421	0.2
105.03367	0.4
105.07017	0.6
107.04935	0.5
107.08604	0.8
109.02867	0.6
109.06519	0.3
109.10154	0.7
111.04411	0.4
111.08124	0.2
112.01562	0.5
112.07593	0.3
115.05418	0.2
117.07014	0.4
119.04955	2.0
119.08560	0.6
120.05734	1.2
120.08141	0.2
121.02873	1.8
121.06510	0.2
121.10162	0.9
123.07997	0.2
123.11731	1.7
127.00255	0.6
127.03899	0.4
128.06197	0.4
129.06958	0.2
130.06506	0.4
131.04848	0.3
131.08537	0.2
132.05768	0.2
133.02814	0.7
133.06422	0.2
133.10141	0.5
135.04402	0.7
135.11665	0.4
137.05954	0.3
137.09593	0.2
139.00294	0.2
139.07513	0.2
140.01054	0.5
141.06894	0.2
143.08566	0.3
144.08154	0.8
145.06464	0.4
145.10124	0.5
147.04390	1.8
149.02388	0.2
149.05988	0.2
151.03899	0.8
151.07574	0.2
153.07008	0.4
156.05695	0.3
157.06499	0.4
157.10103	0.3
159.08041	0.2
159.11661	0.5
160.05197	1.1
161.02367	1.2
161.05925	0.5
163.03931	0.5
163.11302	0.2
165.05579	0.2
165.07013	0.3
167.03563	0.2
167.04927	0.3
167.08513	0.2
168.00557	3.9
168.05661	0.4
168.08086	0.2
169.01186	0.2
170.05975	0.3
171.04413	0.6
171.07988	0.2
173.06000	0.2
173.09668	0.2
174.06737	0.3
175.03918	0.5
175.07516	0.2
175.11220	0.2
177.05478	0.2
179.03404	2.9
181.05017	0.4
181.06506	0.6
182.82777	0.1
183.08072	0.3
183.11404	0.2
184.05203	1.2
185.05893	0.3
186.01605	3.0
186.03189	0.2
187.03879	0.6
187.07611	0.2
188.04639	0.2
189.05457	0.5
189.09097	0.2
195.04427	5.9
195.08109	0.3
196.04982	0.2
198.06784	0.3
199.07504	0.3
199.14801	0.2
201.05461	0.3
202.06299	0.4
205.05051	0.2
212.04700	0.6
213.05481	0.9
213.08975	0.4
215.03377	0.4
215.14082	0.2
216.67656	0.2
217.04996	1.0
217.08665	0.2
219.06564	0.2
223.07732	0.2
226.06244	0.4
227.06946	0.3
229.04985	0.5
229.08690	0.2
234.05254	1.1
237.12807	0.4
240.04172	1.8
241.08582	0.4
245.04489	0.9
255.11226	0.4
255.13887	0.6
257.04483	1.7
258.05225	1.5
259.10760	0.6
265.12061	0.3
268.03751	0.2
269.04507	0.3
273.03925	0.7
283.13309	0.5
283.20444	0.2
285.03992	2.1
286.04727	100.0
287.05066	3.7
300.02670	1.7
301.07077	90.8
301.10455	2.9
301.14502	1.8
301.21323	1.2
302.07330	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	301.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.2
55.05509	1.6
57.03429	0.2
61.63937	0.2
67.01839	0.5
67.05507	0.8
68.99791	0.4
69.03389	0.3
69.07040	0.5
70.06564	0.6
71.53538	0.2
79.05480	0.6
81.01565	0.2
81.03370	0.3
81.07054	0.9
82.06580	0.8
83.04968	0.4
83.08595	0.6
84.08105	0.3
85.02884	0.2
86.09691	0.2
89.03920	0.2
91.05464	0.8
91.58100	0.3
93.07018	0.5
95.04948	0.4
95.08604	0.8
97.06524	0.6
100.07597	0.3
100.11248	1.3
101.05986	0.2
101.11564	0.3
105.03336	0.2
105.07004	0.7
107.04941	0.4
107.08562	0.5
109.02876	0.3
109.10117	0.6
110.05999	0.5
111.00832	0.2
111.04431	0.7
111.06386	0.2
111.08107	0.2
112.04800	0.1
112.07639	0.2
117.03320	0.2
118.06512	0.3
119.04921	0.2
119.08562	0.7
121.02876	0.2
121.10123	0.7
123.11675	0.5
125.30653	0.2
127.17616	0.2
127.30585	0.2
128.06203	0.2
128.07066	0.3
129.05441	0.2
129.06934	0.3
131.08589	0.3
132.08086	0.4
133.10144	0.4
134.52176	0.2
135.11667	0.4
137.05952	0.2
141.11469	0.5
141.61629	0.6
142.07745	0.2
143.08516	0.3
145.10110	0.3
146.05995	0.7
147.04330	0.2
149.05960	0.5
151.03915	0.6
152.06177	0.3
153.01820	2.9
153.06987	0.7
155.08586	0.3
157.10153	0.3
159.11681	0.3
161.09627	0.2
161.13251	0.2
163.03943	0.2
165.05600	0.2
165.06970	0.5
167.08501	0.2
169.06429	0.2
169.61136	0.2
171.02879	0.7
171.11765	0.2
173.06076	0.2
175.03896	0.8
179.03461	0.5
181.04971	0.2
181.06503	0.7
182.07372	0.2
182.15405	1.2
183.04416	0.2
183.08031	0.2
183.15732	0.7
187.06252	0.3
187.07721	0.2
188.07083	0.9
195.08084	0.5
197.05937	0.3
198.06805	0.6
199.07480	0.2
199.18060	0.4
201.05455	0.3
204.66402	0.3
205.16602	0.7
209.05972	0.3
210.14864	0.9
211.07474	0.2
211.15205	0.5
213.05533	0.3
213.09105	0.4
213.16490	0.2
213.67923	0.2
214.08546	0.2
215.05688	0.3
217.04929	0.4
218.66194	0.5
219.16330	1.8
219.66541	0.2
223.07541	0.4
226.06239	0.4
227.07123	0.2
227.17522	0.3
229.04944	2.6
230.05598	0.2
230.08086	0.3
239.07130	0.2
241.08623	0.7
245.04333	0.2
255.06445	0.3
255.11365	0.2
257.04559	0.8
258.05240	40.6
259.05643	1.2
259.10803	0.5
269.04538	0.2
282.69534	0.2
283.20224	0.3
286.04712	51.7
287.05103	1.9
301.07065	100.0
301.10156	3.4
301.21402	1.0
302.04123	0.9
302.07303	3.5
302.10809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0699
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.01840	0.3
55.05510	2.0
56.05832	0.3
56.68115	0.2
57.03422	0.4
58.30112	0.2
65.03909	0.2
67.01853	0.5
67.05476	1.0
68.99782	0.5
69.03408	0.4
69.07042	0.7
69.21879	2.1
70.06565	0.8
72.08153	0.2
79.05495	1.2
81.03382	0.5
81.07052	1.2
82.06585	1.2
83.04958	1.0
83.06906	0.3
83.08616	1.2
84.05306	0.3
85.06479	0.3
89.76489	0.2
91.05479	1.5
91.45484	0.3
91.58118	0.3
93.07065	1.5
95.04931	0.7
95.08607	1.5
97.06530	1.5
100.07567	0.5
100.11257	2.3
101.11574	0.6
103.05453	0.3
105.07000	1.0
107.04945	0.6
107.08568	0.8
109.02884	0.3
109.06495	0.4
109.10131	0.8
110.06043	1.0
111.04427	0.8
111.06352	0.2
111.08063	0.4
112.07629	0.5
117.07027	0.4
118.06522	0.8
119.04900	0.4
119.08553	1.0
121.06474	0.5
121.10116	0.6
126.09161	0.4
128.06175	0.3
128.07063	0.6
129.05478	0.3
131.08537	0.5
132.08070	1.0
133.02846	0.4
133.10135	0.7
135.04411	0.6
135.11710	0.5
141.06895	0.5
141.11496	1.4
141.61606	0.8
143.07188	0.3
143.08508	0.6
144.08028	0.7
145.10104	0.8
146.06010	2.2
149.05960	0.9
149.13228	0.3
151.03871	0.6
152.06155	0.6
153.01830	3.0
153.05733	0.2
153.07036	1.2
155.08514	0.4
157.06444	0.3
157.08629	0.3
157.10112	0.4
158.08121	0.2
159.11682	0.6
161.09599	0.3
161.13382	0.3
163.11110	0.3
165.05684	0.4
165.07043	0.8
167.07268	0.3
167.08572	0.6
168.05768	0.3
169.06526	0.4
170.07262	0.3
171.02867	0.6
171.08112	0.3
175.03877	0.8
177.05420	0.3
179.03409	0.4
181.05000	0.5
181.06476	1.7
182.15427	1.3
183.08109	0.4
183.15738	0.8
185.13263	0.5
187.03850	0.3
187.06219	0.6
188.07066	2.6
194.07291	0.3
195.08070	0.7
196.05101	0.2
197.05984	0.5
197.13283	0.3
198.06752	0.9
199.11101	0.2
199.18111	0.7
202.06314	0.3
204.66521	0.3
205.09657	0.4
205.16652	1.7
209.06009	0.3
209.16432	0.3
210.14844	1.1
210.16826	0.3
211.07475	0.3
211.15161	0.8
213.09093	0.9
215.07222	0.3
217.04933	0.4
218.66185	0.6
219.16380	2.3
223.07640	0.4
225.05617	0.4
226.06219	0.7
227.17554	0.4
229.04951	2.1
230.08282	0.5
241.08569	1.1
243.06604	0.3
251.07048	0.3
255.14532	0.4
257.04547	0.9
258.05252	40.1
259.05563	1.4
269.08118	0.5
282.69501	0.8
283.20355	0.5
284.12805	0.3
286.04724	54.7
287.05109	2.3
301.07083	100.0
301.10550	5.6
301.21555	2.0
302.04160	0.5
302.07318	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	300.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01872	1.5
55.05505	3.2
56.05033	3.1
56.89338	0.9
56.96558	5.2
57.03429	1.2
58.06591	2.2
60.04530	5.3
60.05645	0.8
61.02926	1.9
62.05138	0.9
65.03944	1.2
67.05514	1.0
68.05014	1.5
69.03428	4.2
69.07050	4.3
70.02939	1.4
70.06591	68.4
71.05000	1.1
71.25575	2.0
72.08155	100.0
73.02927	1.2
73.08501	1.2
74.02438	0.8
74.06081	0.8
75.09245	1.5
76.03992	0.9
79.05513	1.0
81.03419	5.0
81.07078	1.2
82.04168	0.9
82.06575	1.5
83.06109	4.0
84.04508	9.6
84.08142	27.4
84.96026	1.5
85.02908	11.4
85.06552	1.2
86.06084	1.4
86.09703	17.9
87.09235	1.8
88.03970	1.2
90.05568	1.0
91.05450	2.0
93.03419	1.0
93.07035	1.3
94.06571	1.7
95.01331	1.2
95.04996	1.8
95.06092	1.2
95.08622	1.8
96.08124	1.8
97.02887	4.9
98.06034	1.3
98.09709	2.7
98.97563	6.2
101.07157	1.5
101.10779	1.8
102.05605	1.2
103.05405	1.0
105.03381	6.4
107.04963	2.2
107.08570	1.3
107.36098	0.9
108.04481	0.9
109.02885	6.8
110.06035	2.1
110.07158	4.8
110.09689	4.7
110.97511	0.8
111.04434	1.7
111.10471	0.9
112.07616	2.5
112.08758	1.1
112.11236	7.7
115.08676	2.1
116.07101	6.8
116.98618	4.0
117.07014	1.0
119.08594	1.5
119.97895	0.7
120.02129	1.3
120.08131	6.9
121.02866	7.1
121.06528	2.1
121.08461	0.9
122.06042	1.9
123.04473	0.7
124.03979	1.2
124.07609	1.9
127.03924	3.1
127.12335	2.2
128.07068	1.6
128.98613	1.8
129.06578	1.5
129.10236	6.4
129.13885	4.7
132.08121	1.1
134.05997	1.9
134.99667	1.7
135.04411	1.7
136.06186	21.4
136.07617	1.0
137.02309	3.9
138.05551	3.9
138.09146	4.8
139.03920	1.3
140.07091	1.5
145.04863	0.9
145.06602	0.9
146.16512	4.4
146.99678	1.2
148.07549	1.2
149.04747	0.7
149.05858	1.0
149.08366	2.5
150.05446	1.4
150.09145	2.0
151.06261	0.8
152.05800	1.2
152.07042	6.0
153.05383	0.8
155.11784	5.6
156.07628	1.2
157.09731	15.9
158.99696	1.8
161.01228	1.5
162.05473	1.9
162.09132	25.4
164.06964	1.1
166.07263	1.2
166.08582	9.4
167.06982	1.8
168.05278	0.9
172.14417	1.2
176.05295	0.9
177.00732	2.5
177.07841	1.9
178.07210	3.9
178.08659	8.1
179.11827	3.1
185.09248	10.0
187.10829	2.6
189.06026	2.2
194.08110	6.2
196.09642	1.2
197.12906	6.0
197.14662	1.3
198.04938	1.1
198.06448	4.4
201.12389	1.8
212.09232	2.8
213.12309	5.5
214.91582	0.8
219.01776	1.2
223.14438	2.6
225.12424	1.0
226.19153	1.3
229.11867	2.6
233.16510	10.7
236.10283	0.9
237.02942	4.0
237.15965	3.4
240.17056	6.2
249.16080	1.0
250.19136	31.7
254.18654	5.1
265.15610	1.7
266.18652	1.4
282.17920	1.4
283.16544	3.5
283.19263	1.3
300.06171	2.2
300.10556	1.5
300.15524	2.3
300.19125	23.1
309.08734	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	300.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01872	5.4
55.05512	6.0
55.37412	0.9
56.05023	3.2
57.03421	2.7
57.07061	1.3
58.99585	7.2
67.05506	22.3
69.03421	1.3
69.07082	4.6
69.40961	3.8
69.41392	3.1
70.06580	2.1
71.04978	2.3
72.08155	12.4
73.86231	0.8
74.00672	1.4
74.71714	0.9
76.02209	3.1
79.05492	12.2
80.68912	0.9
81.03413	1.0
81.07056	22.7
82.06600	1.0
83.04973	2.1
83.08617	2.0
85.01127	12.5
85.06523	0.8
86.00654	26.7
86.99057	5.3
87.02692	19.6
88.02180	1.2
88.03981	6.3
89.09929	0.9
91.05467	5.7
93.07058	9.4
95.04960	3.8
95.08604	34.1
96.08070	0.9
97.02855	1.1
97.06515	1.4
97.48125	0.8
98.09700	7.1
105.00089	2.5
105.03387	2.7
105.07022	5.6
107.04958	1.9
107.08611	4.7
109.06522	1.3
109.10159	23.9
110.10433	1.3
111.07997	0.9
112.47412	0.9
113.04227	10.6
117.07008	1.6
119.08572	6.9
120.08896	1.2
121.10133	5.9
122.02709	2.9
122.06001	1.3
122.09679	1.6
122.64159	0.9
123.04411	1.0
123.08046	2.4
123.11722	3.3
129.06990	0.9
130.06877	6.5
131.01613	3.1
132.01152	47.2
133.02861	3.1
133.10127	3.4
134.03691	1.2
135.04408	6.1
135.11688	3.9
137.09589	4.0
145.06577	1.1
147.04378	1.2
150.05473	2.3
151.03885	2.1
151.14830	15.3
153.01797	0.9
153.06944	2.2
156.08423	7.6
157.06479	1.2
158.06004	2.0
159.04753	44.8
160.07487	1.1
161.05994	1.1
161.13251	4.7
165.06990	1.5
171.08009	1.3
175.07599	1.1
176.07414	14.3
178.05011	7.7
179.03403	1.3
179.14302	21.5
181.06413	2.2
185.09642	2.1
197.05913	0.9
198.06844	1.8
199.02364	1.4
199.07510	2.4
202.08965	100.0
203.09314	1.9
211.07513	1.4
212.07339	1.5
212.10619	1.7
212.26588	0.9
213.09093	1.9
213.12921	1.6
224.10646	0.9
226.06366	1.1
227.14502	1.3
230.06738	2.0
241.08606	2.0
241.17914	1.8
254.15691	6.0
255.13757	10.1
258.06268	1.9
273.08682	11.5
282.15067	6.4
300.05734	1.4
300.09561	1.9
300.16241	36.3
300.25339	2.5
301.07889	9.1
301.10910	8.5
301.16672	1.7
301.21655	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	300.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54952	0.8
55.01870	1.9
55.05517	4.7
57.07092	1.3
67.05504	9.8
69.07072	5.3
70.57679	3.0
72.00878	17.3
77.03922	1.6
79.05486	6.8
81.03430	1.9
81.07063	15.5
82.04186	1.2
91.05477	4.4
93.07046	5.7
95.04966	3.6
95.08610	18.3
97.10168	1.2
105.03392	2.8
105.07050	2.8
106.04177	2.0
106.06567	1.6
107.04939	9.4
107.08626	5.5
109.10157	21.0
119.04919	1.3
119.08596	1.7
121.02851	1.0
121.06531	1.9
121.10148	12.3
122.10901	1.1
123.11706	32.3
125.05960	1.4
131.04887	1.3
133.02861	10.1
133.05243	1.1
133.06474	2.8
134.03645	7.8
134.06013	4.6
135.04414	74.1
135.11694	4.0
144.05716	2.9
145.06526	5.4
146.05954	1.5
147.04390	3.2
147.08043	2.6
149.06009	1.7
150.05550	1.0
151.03896	5.9
153.07005	1.5
157.06500	3.3
159.08037	2.4
160.03900	1.7
161.04739	2.1
161.05981	1.3
163.03944	1.4
171.08119	5.7
172.05167	1.7
173.05859	1.6
173.09656	1.3
176.04689	2.4
178.04991	100.0
179.05341	1.9
180.06517	2.3
181.06441	1.9
185.06021	1.5
185.09615	4.4
187.07622	1.8
190.04977	1.2
192.06523	7.8
199.07545	3.8
200.06926	1.1
202.04901	7.6
204.06540	2.6
206.08145	3.1
208.50758	1.0
211.07582	1.0
213.09244	2.2
213.12689	4.5
216.06558	16.7
218.08131	2.1
220.09644	1.2
223.07846	1.1
226.06346	1.0
227.14290	7.4
229.15829	3.1
230.08087	2.9
240.10236	2.1
244.09592	6.5
254.13580	1.3
255.13799	38.3
256.14136	1.9
258.11362	1.1
259.10855	1.1
265.14746	1.3
267.13800	1.0
268.13394	1.6
272.06747	1.2
273.14853	3.3
282.14874	3.4
285.07376	1.2
300.05917	15.0
300.08862	1.7
300.15939	70.4
301.06995	2.7
301.10791	3.4
301.16547	1.3
316.05133	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	300.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
54.96318	0.8
55.01863	2.2
55.05503	2.0
57.03411	0.8
57.07063	1.2
65.03938	1.1
67.05505	11.1
69.07070	6.3
69.08747	0.8
69.32210	8.5
72.00883	11.8
73.17665	0.8
77.03944	2.0
77.94220	0.8
78.05500	0.7
79.05488	9.9
81.03423	1.5
81.07056	26.8
81.07531	1.6
82.00586	1.0
82.04164	0.9
83.08607	1.6
91.05484	2.3
93.07045	4.4
94.06567	0.9
95.04989	4.3
95.08614	14.4
97.10208	1.4
98.21590	1.1
104.04984	1.7
104.43870	0.8
105.03398	1.7
105.07030	2.2
106.04148	2.8
106.06588	1.6
107.04958	8.9
107.08592	4.8
109.10155	30.9
119.08560	0.9
121.02878	1.1
121.06499	2.2
121.10154	9.0
123.04444	1.0
123.10830	1.5
123.11710	26.2
125.05987	1.6
128.06244	1.0
129.07033	1.6
132.04424	1.2
133.02870	9.0
133.05240	1.3
133.06499	2.4
134.03645	9.9
134.06018	5.5
135.04420	81.7
135.11685	3.0
136.04729	1.6
138.03163	0.9
143.08539	1.3
144.05669	1.4
145.06468	2.5
147.04437	1.5
147.08087	2.1
149.09616	1.0
150.05499	1.0
151.03914	6.6
153.06960	0.9
157.06499	2.8
159.04495	1.0
159.08142	1.8
160.03909	3.1
161.04723	1.4
164.04277	0.9
167.08553	1.1
169.06270	0.9
171.08121	5.7
172.08847	1.0
173.06076	1.2
173.09608	3.3
175.07556	2.4
178.04997	100.0
179.05467	1.3
180.06573	1.6
181.01247	1.4
181.06526	1.4
182.01639	0.9
183.08075	1.0
185.06042	1.5
185.09654	4.0
187.07564	1.9
190.04979	2.0
192.06581	6.8
195.08096	1.5
199.07562	4.5
202.04990	3.9
204.06421	1.7
206.08136	2.4
209.13147	0.8
211.07462	1.2
211.11198	0.9
213.09120	3.7
213.12704	1.9
216.06584	3.1
218.08113	2.7
220.09705	3.8
226.08699	2.3
227.14270	6.5
229.15865	1.7
230.08092	2.7
232.09676	2.3
237.12723	1.0
240.10016	0.9
244.09697	13.3
255.13821	17.7
258.11261	2.5
259.10867	1.1
273.14902	1.3
282.14929	2.4
298.04425	0.9
300.05969	15.2
300.09406	2.8
300.15945	37.8
301.06638	1.8
301.10516	1.6
301.15921	1.8
316.05362	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.01859	1.6
55.05510	2.7
56.59808	0.9
56.79543	1.0
57.07072	1.9
66.66731	1.0
67.05510	8.8
69.07076	6.0
70.01324	0.9
71.25968	1.4
72.00880	15.5
78.80521	0.8
79.05491	6.2
81.03413	2.1
81.07063	25.1
83.08603	2.1
91.05487	1.9
93.07051	3.3
95.04951	3.6
95.08614	13.5
105.03384	1.9
105.04507	1.3
105.07024	2.5
106.04192	3.2
106.06570	2.4
107.04980	9.9
107.08609	3.3
109.10165	26.8
117.07030	0.9
119.04970	1.6
121.10158	11.8
123.08106	0.9
123.11711	27.6
127.05119	0.9
133.02879	8.0
133.06506	2.8
133.10089	1.0
134.03658	8.1
134.06023	6.2
135.04430	73.6
135.11684	3.7
136.04790	1.2
144.05719	1.4
145.06485	3.8
147.04422	2.9
147.08139	1.9
149.09648	1.1
150.05582	1.2
151.03917	6.2
157.06497	3.4
159.08113	2.5
160.03854	2.0
161.04758	2.1
161.06027	1.7
162.05408	1.2
171.08090	5.0
172.08859	1.2
173.09624	2.0
175.07553	2.1
178.05006	100.0
179.05450	2.2
180.06581	2.0
184.11282	0.9
185.09651	3.3
187.07581	1.4
188.06987	1.0
190.05002	2.1
192.06563	8.1
198.09193	1.2
199.07568	4.7
202.04987	4.7
204.06534	2.6
206.08162	2.5
213.09119	2.2
213.12682	2.9
216.06596	2.9
218.08128	2.9
220.09724	4.0
226.08670	1.9
227.14336	5.3
229.16026	1.3
230.08049	2.1
232.09665	1.5
237.12787	1.4
240.10284	1.3
244.09688	13.5
255.13834	23.5
258.11292	1.7
273.14780	1.1
282.14874	3.0
285.14877	1.4
300.15958	45.1
301.16367	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.4
53.03926	2.7
55.01868	1.5
55.05507	3.8
57.07064	1.6
65.03940	1.7
66.04736	0.6
67.05504	15.4
69.03432	1.0
69.07063	11.9
70.14141	1.9
72.00883	8.8
77.03927	7.5
79.05069	1.1
79.05494	13.6
81.03397	1.5
81.07055	43.7
82.04195	0.9
82.07387	1.1
83.04958	1.6
83.08605	1.7
90.15749	0.5
91.05488	5.8
93.07037	5.2
93.88055	0.6
94.06519	0.7
95.04965	7.3
95.08606	14.3
97.10151	0.9
103.05423	2.1
105.03383	6.0
105.04461	0.7
105.07018	3.7
106.04168	1.0
106.06584	1.6
107.04272	0.5
107.04945	10.8
107.08584	5.4
109.02851	0.8
109.10154	27.6
111.11707	1.0
115.05450	1.3
117.07033	1.1
119.04905	0.8
119.08554	2.2
121.02882	0.7
121.06514	2.5
121.10136	11.8
122.10925	0.7
123.04438	3.5
123.11703	26.0
125.05972	0.8
128.06229	3.6
129.06990	2.4
131.04919	2.3
131.08562	1.1
133.02849	45.2
133.05188	1.4
133.06487	4.0
133.07407	1.0
133.10106	1.8
134.03661	6.3
134.06023	3.1
135.04414	62.4
135.11725	3.3
136.04745	1.8
141.06963	1.1
142.07727	1.5
143.04823	1.2
143.08540	2.6
144.05647	1.8
145.02846	2.1
145.06490	7.1
146.05945	0.6
147.04417	7.2
147.08040	2.7
149.06000	1.4
150.05484	0.8
151.03902	28.7
152.06194	0.7
155.06126	0.7
155.08496	0.8
157.06488	10.0
157.10112	2.0
158.07237	1.1
159.04385	1.8
159.08043	5.3
160.03964	1.3
161.04735	1.2
161.05940	5.9
163.03940	0.6
165.07021	1.3
167.08641	1.0
169.06435	1.5
170.07318	1.1
171.04462	0.8
171.08061	20.2
171.11681	0.8
172.08832	1.5
173.05975	2.3
173.09637	4.2
174.05542	1.5
175.03923	1.6
175.07515	10.1
176.04688	1.7
178.04991	70.9
179.05353	1.6
179.08592	1.1
180.06659	1.0
181.06459	1.4
183.08070	2.3
185.06017	3.8
185.09612	10.2
187.07520	4.9
187.11214	0.9
188.07030	0.7
189.09079	0.8
190.04858	1.1
192.06557	6.2
195.08067	2.0
197.05913	1.1
197.09642	1.7
198.06905	0.7
198.10411	1.2
199.07527	14.3
199.11116	2.0
200.06786	0.6
202.04999	5.4
204.06430	1.2
206.08150	2.8
206.69939	0.7
209.13239	0.7
211.11128	1.0
212.12083	0.9
213.09135	7.3
213.12724	10.5
216.06439	3.0
218.08064	1.8
220.09651	4.1
227.14311	15.9
228.14645	0.8
230.08038	3.6
232.09575	1.4
237.12775	3.4
240.10170	0.8
244.09647	9.6
255.13800	100.0
256.14105	5.6
258.11270	1.7
273.14880	3.4
282.14929	2.2
300.05695	0.8
300.08826	1.4
300.15924	28.3
301.07181	1.1
301.10767	1.8
301.16370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01872	2.8
55.05503	5.9
57.03432	3.0
57.07075	7.9
67.05502	12.9
69.07066	12.5
70.06593	11.4
71.08636	2.9
71.51513	2.0
71.51880	1.9
72.00885	9.0
77.03917	6.6
79.05489	11.1
81.03419	2.0
81.07059	26.0
82.07385	1.7
83.04995	14.0
83.08646	1.8
87.12639	1.4
88.07645	3.7
91.05491	8.3
93.07046	10.0
95.04964	7.4
95.08608	17.1
97.10155	2.5
100.07583	2.5
105.03389	5.3
105.07035	6.6
106.06536	2.1
107.04963	11.9
107.08594	12.7
109.10159	25.5
114.09179	8.5
115.05466	2.3
119.04922	1.9
119.08572	3.4
121.06477	7.5
121.10160	15.1
123.04472	3.0
123.11706	23.0
129.07028	2.6
130.08679	1.8
131.04945	2.9
131.08606	2.3
132.10210	19.9
133.02858	34.0
133.06505	12.6
133.10132	9.0
134.03635	6.0
134.06009	2.3
135.04422	61.9
135.11688	3.8
143.08585	2.5
143.31810	1.6
145.02837	1.9
145.06464	11.0
145.10139	2.0
146.06004	1.9
146.11761	2.5
147.04387	9.8
147.08057	4.4
149.05942	7.9
150.05504	1.9
151.03909	17.0
153.07127	1.5
153.12778	1.8
155.08467	2.2
157.06482	12.2
159.04373	2.8
159.08047	5.9
161.05975	4.1
162.05469	1.5
165.12373	1.3
171.08035	16.9
173.06018	2.8
173.09601	4.3
174.05504	28.5
175.03925	5.6
175.07500	2.6
176.04305	2.6
178.03438	3.3
178.04997	63.7
179.05275	1.8
179.23219	1.5
183.08125	1.9
185.06044	2.5
185.09641	13.2
187.07568	1.7
190.04999	2.4
192.06580	5.7
195.08087	2.5
196.11029	1.6
199.07555	10.6
200.08173	1.6
200.10599	2.3
201.04289	2.3
202.05002	7.0
204.06413	1.6
206.08145	2.5
209.11713	2.0
211.11371	2.2
212.07069	1.7
212.10609	11.3
213.09052	4.7
213.12752	7.0
216.06665	2.3
216.10213	3.7
218.08163	1.7
220.09772	2.4
226.08643	7.2
227.14294	22.8
229.15941	1.7
230.08243	1.7
231.02936	3.7
232.03271	9.6
232.09654	2.3
237.12762	4.0
240.10236	4.5
244.09679	11.0
246.30325	1.6
254.15424	3.8
255.13797	89.9
256.14142	4.0
258.05115	2.0
258.11127	1.9
264.13818	2.5
272.16479	2.1
273.14948	4.2
282.14902	9.4
300.05524	4.2
300.08987	5.7
300.12610	3.5
300.15939	59.3
300.28998	100.0
301.03918	1.6
301.07059	8.4
301.10358	3.3
301.16379	5.9
301.21811	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.159
Annotation	Neopine
Peak:m/z	Relative Intensity
51.02363	0.6
51.70399	0.6
53.03938	1.5
55.01876	1.5
55.05504	2.6
57.07064	0.7
67.05509	7.5
69.07069	3.5
69.74085	0.6
70.02437	0.8
70.02784	2.5
70.06567	0.6
70.22454	0.6
70.43552	0.6
72.00877	17.2
77.03941	1.7
78.04698	1.0
79.05496	6.3
81.03429	0.9
81.07059	11.4
82.04215	1.0
85.24904	0.6
85.58778	0.6
90.01892	0.6
91.05473	2.4
93.07040	6.2
95.04973	3.0
95.08605	12.1
103.05505	0.8
104.04990	1.3
105.03387	2.0
105.07031	2.6
106.04163	1.8
106.06540	1.6
107.04955	9.7
107.08590	5.3
109.06496	0.7
109.10162	18.2
115.88174	0.6
119.08565	1.3
121.02847	1.2
121.06499	1.6
121.10143	13.6
123.04382	0.7
123.11707	30.9
124.12044	1.2
125.05996	1.5
129.07048	0.8
131.04958	1.6
132.04420	0.6
133.02856	8.2
133.05232	1.6
133.06491	2.2
134.03659	7.3
134.06024	3.9
135.04422	73.3
135.11685	3.6
136.04767	1.3
144.05643	1.2
145.06516	4.4
147.04417	2.4
150.05540	1.2
151.03897	5.7
155.75273	0.7
157.06512	1.4
159.08076	2.5
160.03918	1.9
161.04704	2.3
161.05888	1.4
167.08473	0.8
171.04391	1.4
171.08073	5.1
173.09618	1.5
176.04572	0.8
178.04996	100.0
179.05341	1.9
180.06581	1.7
181.01331	4.7
182.01662	4.1
185.06010	1.1
185.09621	2.8
188.06978	0.6
190.04955	1.5
192.06546	6.7
198.01117	1.1
199.07570	1.8
200.06880	1.2
202.05023	2.5
204.06616	1.9
206.08130	1.6
209.13229	0.7
212.07056	1.4
212.12163	0.9
213.09270	1.4
213.12746	4.6
216.06532	6.4
219.07657	0.9
220.09718	1.4
226.08691	1.8
227.14317	5.1
229.15974	3.0
230.08186	1.4
237.12703	1.8
240.10175	0.8
244.09595	4.9
254.15308	0.9
255.13799	37.8
256.14120	1.4
258.11151	1.3
268.13321	1.2
272.16202	1.0
273.14862	3.7
274.04355	1.1
282.14911	5.0
283.15628	1.3
298.04257	1.8
300.05890	20.2
300.15933	72.2
301.05942	1.7
301.16367	2.8
316.05475	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08966	0.6
52.98113	0.7
53.03939	0.9
55.01865	1.1
55.05512	4.0
57.07079	1.1
60.80400	0.6
65.03938	1.7
67.05513	8.0
69.06744	0.9
69.07071	11.9
69.36405	0.6
69.77954	3.6
70.06582	0.7
72.00518	1.0
72.00881	15.2
77.03915	0.7
79.05119	0.6
79.05495	5.6
81.03416	0.7
81.07057	45.8
81.21311	0.7
82.07368	0.7
83.04983	6.3
83.08607	1.4
89.03908	1.5
90.04214	1.0
91.05494	6.0
92.05811	2.8
93.07052	5.6
95.04939	1.6
95.08599	4.3
97.06554	0.7
103.05481	0.7
105.07009	1.8
106.06564	0.6
107.04964	7.1
107.08586	3.5
109.02869	0.6
109.10160	16.7
115.05523	0.9
117.07021	1.5
119.04961	3.2
119.08571	1.9
119.33034	0.6
120.05281	2.3
121.06499	1.8
121.10153	3.6
123.11694	4.8
128.06223	1.4
131.04935	0.7
131.08604	1.0
133.02890	5.5
133.06477	1.2
134.03607	1.7
134.05983	1.2
135.04431	16.3
135.08041	1.2
135.11696	2.9
141.07007	0.9
143.01254	0.9
143.08566	1.7
144.05704	1.0
145.02840	1.9
145.06497	5.5
146.03160	2.4
146.05968	1.8
147.04443	5.1
147.08055	2.2
148.04732	2.1
149.09589	0.8
151.03879	3.0
156.94121	0.7
157.06461	2.1
157.10066	0.7
159.04428	4.8
159.08069	1.8
159.62695	0.7
160.01569	2.7
160.04802	3.5
161.01909	2.5
161.04736	1.6
161.09636	1.7
162.05539	1.3
165.01871	0.7
166.07751	0.7
171.08049	3.9
172.08833	1.3
173.02336	2.7
173.05984	1.9
173.09633	4.9
174.02745	2.8
175.03923	23.3
175.07500	4.2
176.04256	31.1
177.04335	0.9
178.05006	25.2
181.06511	0.7
182.07318	0.6
183.02986	0.7
183.06659	0.7
183.08119	1.0
184.07506	1.1
185.06000	1.3
185.09628	2.6
186.05400	0.9
187.03731	2.1
187.07544	2.2
188.01025	6.3
188.04382	2.9
188.07124	0.7
189.01372	8.4
189.05106	2.6
190.05045	0.8
192.06593	7.9
198.09074	1.4
199.06036	0.9
199.07568	9.4
200.06989	0.7
200.10597	0.7
201.01808	1.5
201.04211	1.7
202.02167	3.2
202.05095	2.8
203.03398	11.2
203.07216	0.6
204.03760	19.8
204.06367	0.9
204.07971	1.5
206.08138	6.1
209.08269	1.0
211.07533	1.1
212.07097	1.1
213.09210	3.0
213.12747	2.6
215.03397	3.2
216.03870	11.2
216.06548	4.1
216.10130	1.1
217.01259	0.8
217.04591	11.6
218.02202	1.2
218.05200	1.9
218.08113	6.1
219.02470	2.0
220.09674	7.5
226.08603	3.6
227.14438	1.0
229.04988	2.1
229.15927	2.3
230.05310	10.0
230.08124	2.9
231.02893	41.6
232.03233	100.0
232.09534	4.0
233.03412	4.3
240.10286	0.8
243.06111	1.8
244.06134	1.1
244.07033	0.8
244.09683	21.4
255.13805	18.4
257.07285	2.0
258.08456	3.8
258.11380	2.1
272.05569	2.5
272.09830	3.0
282.07941	0.7
282.14899	2.0
285.06253	1.0
300.05148	9.4
300.09155	18.0
300.15955	72.5
300.32693	1.0
301.10263	1.1
301.16318	2.8
301.21744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01870	2.3
55.05502	2.6
57.07080	2.1
65.03922	1.7
66.02956	0.9
67.05510	9.3
69.07073	8.0
69.97962	4.6
72.00883	14.1
77.03928	1.0
78.04683	1.7
79.05145	0.9
79.05507	10.5
79.07901	0.9
81.03413	1.2
81.06593	1.6
81.07061	30.7
82.00547	1.4
83.08604	1.4
91.05475	2.8
93.07069	5.6
95.05006	4.4
95.08611	15.3
96.08958	1.0
96.82562	1.0
101.74712	0.9
105.03374	1.4
105.07024	3.0
106.04159	2.0
106.06551	1.9
107.04969	8.8
107.08607	5.9
109.10163	25.9
111.11705	1.1
117.07037	1.4
119.04933	0.9
119.08586	1.9
121.02885	1.4
121.06449	1.4
121.10143	11.2
122.05966	1.0
123.04402	2.2
123.11712	31.2
125.05987	2.2
128.06197	1.3
131.04933	1.3
132.04437	0.9
133.02875	8.5
133.05247	1.4
133.06487	2.8
133.10167	1.5
134.03665	9.3
134.06017	5.7
135.04424	73.4
135.11702	3.9
135.28435	0.9
136.04758	1.6
143.08624	1.3
144.05638	1.2
145.06471	3.3
147.04427	3.1
147.08066	0.9
149.09647	1.2
150.05542	1.1
151.03903	6.7
156.55098	0.8
157.03734	0.9
157.06493	2.3
158.03706	1.2
159.04343	1.2
159.08014	1.9
160.03932	1.6
161.04730	1.4
161.05952	1.6
162.05476	1.5
169.06467	1.2
169.18872	1.0
171.08023	5.2
173.09634	2.4
174.02634	0.9
174.05476	1.4
175.07574	2.9
178.05005	100.0
179.05304	1.7
180.06529	2.1
181.01300	1.4
181.08859	1.0
182.01656	1.4
183.06686	1.0
185.06010	1.7
185.09607	3.2
186.09134	1.0
190.04959	3.4
192.06584	7.6
195.08025	1.3
196.11246	1.1
198.01085	1.4
198.09134	1.0
199.07652	4.4
202.04988	5.5
204.06519	1.6
206.08089	3.4
212.07066	1.7
213.09076	2.6
213.12738	2.8
216.06557	2.5
218.08099	3.1
220.09750	6.1
221.56322	1.2
226.08525	2.4
227.14348	5.6
230.08136	3.4
237.12799	1.0
244.09697	8.0
255.13829	21.3
258.11258	2.1
273.14877	1.3
282.14899	3.5
300.05768	10.1
300.08868	2.7
300.15958	47.4
301.07077	1.1
301.10773	1.3
301.16193	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
56.96584	0.7
57.03433	0.7
67.05491	0.9
69.03428	1.5
69.07076	1.0
69.54572	0.8
69.57580	5.1
70.06593	100.0
71.04989	1.0
72.08159	5.4
78.48319	0.7
79.05492	1.1
81.03418	0.8
81.07050	1.6
83.04977	1.2
84.04517	2.1
84.08133	3.8
85.02903	1.0
85.67464	0.8
86.09711	6.2
87.05594	0.7
87.68863	0.8
93.07078	0.7
95.04962	1.4
95.08635	1.1
97.02895	0.7
98.17177	0.6
102.11030	0.7
105.03415	0.8
107.04958	1.3
107.08562	0.8
109.02927	1.0
110.07224	1.5
112.07606	96.1
113.07922	1.2
116.07100	3.2
119.50491	0.8
120.04514	1.2
121.02963	0.8
129.10260	0.8
130.06528	4.1
131.06937	1.3
132.04504	1.0
132.06940	0.8
132.08072	1.0
132.10181	0.8
134.06035	1.0
136.06171	1.1
137.02417	0.9
137.05986	1.2
140.07065	54.0
143.08167	1.0
144.06526	1.1
146.06018	1.4
157.07660	2.3
157.09724	6.3
158.06035	1.3
158.08008	3.0
161.09256	1.9
167.04596	0.9
184.08710	1.8
185.09042	4.1
187.10774	1.0
212.16467	0.9
213.08501	1.0
214.10753	1.1
230.09349	0.7
237.06694	1.6
240.07867	0.8
240.13458	1.3
241.08089	1.2
258.08746	1.6
268.12881	0.9
282.09268	1.1
283.09055	7.0
283.12106	0.7
283.13406	0.9
287.24747	0.9
300.06247	2.1
300.09891	2.4
300.12253	1.3
300.15594	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	300.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
55.01862	0.7
55.05499	0.8
56.05034	0.3
56.96566	7.9
56.96849	0.4
57.03438	1.8
57.07062	0.2
58.06614	0.2
59.04988	0.3
60.04509	0.4
61.02926	1.8
62.06101	0.2
65.03936	0.2
67.05502	0.4
68.05016	0.3
69.03082	0.3
69.03432	3.9
69.43172	1.2
70.06594	7.0
70.98126	0.2
71.01337	0.3
71.04992	0.8
71.06126	0.2
71.95263	0.4
72.04508	0.4
72.08155	2.2
72.96058	0.3
73.02618	0.1
73.02917	1.5
74.06067	0.5
74.08672	0.2
74.97626	0.2
77.03898	0.2
79.05487	0.3
80.05019	0.2
81.03414	2.0
81.05799	0.2
81.07062	0.2
83.01344	0.2
83.04961	0.3
83.06123	0.3
83.97655	0.3
84.04504	0.8
84.08147	5.4
84.96026	0.7
85.02905	8.4
85.06544	0.3
85.07661	0.4
85.08463	0.5
86.03207	0.2
86.06068	0.5
86.09708	1.5
87.04468	1.0
88.08754	0.3
88.99156	0.2
91.03955	0.4
91.05479	3.2
93.07045	6.5
94.06581	0.2
95.04990	1.3
95.06101	0.7
97.02297	0.4
97.02888	4.0
97.99184	0.3
98.06062	0.4
98.97582	7.4
99.04467	1.0
100.07623	0.7
100.98042	0.2
101.00898	0.2
101.06068	0.3
102.05546	0.3
103.03960	0.3
103.05469	4.2
104.07089	0.2
105.03408	0.2
105.04499	0.4
109.02879	0.9
110.06006	0.3
110.07160	0.8
110.09686	0.3
110.97556	1.2
112.05077	0.3
112.08714	0.6
112.11291	0.5
112.99158	0.7
113.03503	0.4
114.05563	0.4
115.03949	0.4
116.07095	1.6
116.98624	4.7
118.08646	0.3
119.01904	1.0
120.08108	3.8
121.06506	100.0
122.06818	2.3
122.09643	0.2
124.07611	0.2
125.03554	0.2
125.07120	0.3
126.05621	0.2
126.09164	0.3
127.03931	2.0
128.02324	0.3
128.10718	0.3
128.98598	1.7
129.10246	0.8
130.08618	0.3
130.93315	0.7
131.00162	1.1
131.01900	0.5
132.06563	0.2
133.03430	0.3
134.06065	0.3
134.99658	2.3
136.06172	0.6
136.07585	0.3
137.02943	0.2
137.05893	0.2
138.05516	1.2
138.09140	10.8
139.05048	0.2
139.09549	0.4
140.00240	0.3
140.07072	0.3
140.08180	0.3
142.01788	0.2
143.00134	0.6
143.01903	0.3
145.01735	0.5
145.03473	0.3
145.04950	1.2
146.08127	0.5
146.99623	1.3
147.03256	0.6
149.01208	0.7
149.03064	0.2
150.05539	0.2
150.07654	0.2
151.06148	0.5
152.04967	0.2
152.07065	0.3
153.00713	0.4
153.05666	0.9
154.01859	0.4
154.53574	0.2
154.93242	0.3
155.20935	0.2
156.10187	0.4
156.14981	0.5
157.01718	0.3
157.03476	0.5
157.09645	0.4
158.01245	0.4
158.04869	0.3
158.09329	0.3
158.99657	0.9
159.03314	0.5
159.05055	0.3
160.02811	0.3
160.06461	0.3
161.01289	0.9
161.02966	0.6
161.04654	1.0
161.05733	0.4
161.54503	0.2
163.02888	0.3
163.04443	0.5
165.00763	0.3
168.08818	0.4
168.55229	0.2
168.91219	0.2
169.04420	1.2
169.54602	0.2
170.05151	3.2
170.99664	0.3
172.02821	0.5
172.94385	0.6
173.01239	0.4
173.02853	0.4
174.04391	0.5
174.99184	0.2
175.02817	0.5
175.04500	0.4
175.11845	0.2
177.00748	1.3
177.04276	1.1
177.05927	0.3
178.04980	0.8
178.07321	0.3
179.02313	0.3
180.06586	0.4
180.10210	0.2
183.07704	0.2
184.02827	0.5
184.04997	0.4
185.02953	0.3
185.06522	0.2
185.09161	0.4
186.04460	0.4
187.00374	0.3
187.02797	0.3
187.04477	0.3
187.55988	0.7
188.02341	0.4
188.05991	0.5
189.00739	0.6
189.04422	0.3
189.06139	0.3
190.03853	0.7
190.05510	0.3
190.54646	0.2
190.95450	1.3
191.02263	0.3
191.03908	0.2
191.05650	0.2
193.00218	0.2
193.01881	0.2
193.03726	0.3
195.05353	0.4
196.54883	0.2
196.56519	0.6
198.04541	0.4
201.00667	0.4
201.04263	0.3
201.06071	0.3
202.03876	0.6
203.02246	0.2
203.04053	0.5
203.55612	0.3
204.05487	0.2
205.03949	0.4
206.03310	0.6
206.07008	0.4
208.04964	0.7
208.96466	0.5
211.05217	0.2
212.04341	0.2
212.13971	0.3
213.12454	0.2
214.95486	0.3
215.07698	0.2
218.56100	0.3
219.01805	1.4
219.05220	0.4
219.07275	1.2
219.56784	0.6
219.58687	0.4
220.02606	0.2
220.04718	0.3
220.08029	0.5
221.03311	0.3
221.05179	0.6
222.09937	0.3
224.08104	0.7
226.04007	0.3
228.01900	0.2
229.05403	0.2
232.96425	1.3
233.56398	0.2
237.02821	1.9
238.08426	0.2
240.01892	0.4
241.06569	0.2
242.07358	0.5
245.05110	0.3
249.02678	0.2
250.97429	1.0
251.04399	0.2
255.14439	0.2
258.02866	0.4
258.99741	1.1
259.06573	0.2
265.07449	0.2
268.01389	0.3
274.97653	0.4
276.97687	0.5
277.00864	1.6
279.04166	0.2
282.09943	0.4
282.13434	1.2
283.05270	0.2
286.02280	0.2
286.07758	0.3
288.08798	0.2
292.10599	0.3
293.05518	0.2
294.98871	0.3
295.03629	0.2
295.07016	0.5
299.58569	0.4
300.10315	1.1
300.14474	4.5
300.20169	1.5
300.59570	0.6
301.09070	0.2
301.11060	0.3
301.14294	0.4
305.10941	0.5
317.99481	0.6
318.05115	0.4
318.10504	0.2
318.14172	0.3
319.15320	1.1
321.10416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.05511	9.5
57.07061	7.0
58.32912	1.5
58.83460	1.4
59.99417	1.6
63.81802	1.5
65.03927	2.8
65.52571	1.7
67.05502	16.5
69.07063	13.4
71.04996	2.2
74.04753	1.8
79.05486	9.4
81.07050	23.2
83.04954	2.1
83.08585	5.2
91.05484	19.9
93.07047	16.3
95.04926	2.5
95.08610	42.8
103.05427	1.9
105.07025	37.7
107.08604	21.1
109.06521	2.3
109.10144	13.6
111.04416	9.5
117.07008	14.0
119.08580	100.0
121.06499	3.4
121.10124	10.8
123.08047	3.0
123.11662	2.6
125.06007	1.7
128.06230	2.1
129.06996	6.0
130.07790	2.7
131.08588	14.6
133.06483	1.5
133.10129	57.4
135.11674	5.8
141.06981	2.9
142.07767	5.3
143.08568	9.2
144.09256	2.5
145.10120	31.2
146.63870	1.6
147.11668	22.0
153.03992	1.7
155.08566	10.3
156.09294	5.6
157.10172	16.2
159.08092	1.8
159.11681	28.9
160.12549	8.1
161.09578	4.5
161.13245	26.0
166.07768	1.8
167.08553	2.5
168.09340	2.1
169.10124	13.7
170.10881	5.4
171.11687	14.7
173.09642	4.4
173.13255	11.2
175.03905	8.6
175.14751	3.1
179.10690	3.7
182.10909	3.4
183.11676	15.3
185.13257	12.3
187.11200	4.6
187.14775	4.7
189.12520	1.8
189.16397	6.1
191.10678	1.9
193.10228	2.3
195.11723	3.1
197.09653	3.3
197.13248	17.0
199.11139	4.9
199.14740	7.4
201.09175	2.1
201.12663	2.2
201.16431	8.7
203.10635	2.5
205.12239	2.9
207.11476	2.3
209.09564	2.8
209.13293	2.4
211.11183	5.3
211.14813	9.7
213.12666	3.2
213.16309	2.5
215.03368	2.6
215.10811	2.6
217.12157	3.2
224.15463	1.8
225.12639	4.6
225.16331	3.0
229.12242	6.8
231.02869	14.7
237.16483	2.9
239.14297	5.1
239.17914	6.7
243.13858	5.2
253.15729	2.7
253.16737	1.9
253.19521	22.2
255.21033	4.9
257.15305	4.0
263.17947	3.2
266.07010	6.6
275.07693	1.9
281.19058	18.2
281.22174	2.4
299.05588	2.4
299.09003	2.3
299.16177	4.9
299.20044	80.3
300.20407	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	299.2368
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
55.05512	10.7
57.03417	2.0
57.07064	7.7
62.77823	2.0
65.03955	2.1
67.05246	1.4
67.05510	16.8
69.07073	14.3
71.04979	3.8
71.08592	2.4
71.52968	1.6
79.05495	11.0
81.07059	24.7
83.08616	5.6
85.06528	2.3
91.05482	23.2
93.07050	16.8
95.04955	5.8
95.08601	23.4
97.10190	3.2
102.10619	1.8
105.07046	18.5
107.04936	5.0
107.08562	11.3
109.06486	3.8
109.10184	8.5
113.88505	2.0
114.49004	2.1
117.07021	13.7
119.04926	7.9
119.08571	19.2
121.06490	4.3
121.10123	8.5
123.08044	3.4
123.11743	2.9
128.06209	3.1
129.06996	10.4
131.08569	26.6
133.06509	4.2
133.10153	14.3
135.08038	5.3
135.11668	4.4
137.13300	2.4
141.06979	5.3
142.07777	3.1
143.08562	12.9
145.06468	4.1
145.10124	25.9
147.04440	13.4
147.08090	9.0
147.11673	6.0
149.09659	2.2
154.07747	2.0
155.08531	7.2
156.09195	1.9
157.10167	14.1
159.08020	3.7
159.11673	14.6
161.09625	5.0
161.13280	4.0
163.03922	47.8
164.04239	3.1
168.09334	2.2
169.10120	10.6
171.11650	10.0
173.09636	6.9
173.13274	8.4
175.03906	77.6
175.11151	2.5
175.14870	3.8
176.04384	2.1
183.11703	9.3
185.13283	12.8
187.03947	3.6
187.11209	7.6
187.14798	6.6
189.05482	3.7
189.12704	2.5
189.16336	4.1
197.13290	7.4
199.14774	5.2
201.12755	6.8
201.16409	5.4
203.03352	2.7
203.14290	2.7
203.17906	2.6
211.14818	4.7
213.16454	2.6
215.14395	2.6
215.17918	4.7
217.15958	1.8
218.11172	1.8
225.16313	4.7
229.15894	3.4
231.02818	7.3
231.10178	18.1
232.10602	2.4
239.17967	4.5
241.19473	10.5
253.19305	2.6
255.21143	4.2
257.22604	6.8
271.20706	1.9
271.24237	10.0
281.22626	19.4
299.05582	2.8
299.16779	9.4
299.20239	3.9
299.23688	100.0
299.27039	4.1
300.24020	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	299.1641
Annotation	Auraptene
Peak:m/z	Relative Intensity
54.41267	0.6
55.05505	0.9
57.07059	1.4
67.05490	2.5
69.07053	1.5
69.49426	0.5
69.57121	0.9
69.57528	3.4
72.85141	0.6
79.05491	1.3
81.07056	13.8
90.27795	0.6
91.05486	7.6
95.04980	0.6
95.08599	7.3
97.10184	0.6
105.07007	0.8
107.04958	12.6
107.08580	0.6
109.10174	1.3
117.07003	0.7
119.04942	9.7
119.08572	1.7
124.02891	0.6
131.04953	1.2
135.04460	0.7
137.13297	3.3
147.04375	1.0
159.04471	1.7
159.11765	0.6
163.03906	100.0
164.04239	1.6
173.06038	0.7
175.03905	5.5
187.03908	2.3
189.05531	3.2
201.05457	1.3
203.07053	1.3
215.07039	3.4
222.95601	0.6
231.03040	1.5
231.10144	0.9
243.10217	1.2
243.35045	0.6
299.16428	6.4
299.20163	1.6
301.05862	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1642
Annotation	8-Geranyl-7-hydroxycoumarin
Peak:m/z	Relative Intensity
54.22923	0.5
55.05497	1.1
67.05484	1.4
69.07060	0.9
70.15586	0.8
70.15984	1.0
73.06696	0.5
77.03938	0.7
79.05485	0.5
81.07039	1.7
83.08597	0.7
91.05463	1.3
93.07038	1.3
95.04937	0.7
95.08611	3.9
95.34682	0.5
103.05470	0.9
105.03389	0.5
105.07034	3.1
107.08583	1.4
109.10135	0.7
111.04427	0.8
117.07014	1.0
119.08586	6.5
121.10133	0.8
128.06201	0.5
129.07025	0.6
131.04932	19.8
131.08575	1.5
133.10153	2.7
137.24324	0.4
141.07040	0.5
143.08504	1.0
145.06485	0.7
145.10129	2.3
147.11696	1.8
155.08594	1.6
156.09314	0.6
157.10104	1.0
159.04425	16.4
159.11674	2.0
161.13277	1.3
169.10161	1.4
171.11710	0.9
173.13255	1.0
175.03922	0.8
183.11690	1.6
185.13345	0.6
187.03909	100.0
188.04376	2.5
194.45135	0.5
197.13290	1.4
199.14845	0.8
201.05449	1.7
211.14883	0.8
225.09006	0.8
227.07111	0.5
239.18088	1.1
243.10178	36.6
253.19522	2.1
257.11450	0.4
281.19012	1.3
299.16425	17.6
299.20050	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	299.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	2.2
65.03922	1.7
67.05502	3.5
69.07056	4.4
79.05477	1.9
81.07051	14.8
81.23650	1.4
91.05474	11.2
95.08603	9.4
107.04943	14.0
107.08620	2.0
109.10137	2.0
119.04938	10.5
119.08559	2.8
135.04396	1.4
137.13246	2.5
145.10054	1.5
147.04362	3.0
159.04344	2.0
163.03899	100.0
164.04283	1.5
175.03920	19.1
187.03955	2.5
189.05450	4.6
201.05479	2.2
215.06996	2.4
216.04160	1.5
231.02974	7.4
231.10019	1.6
299.16431	11.2
299.19690	2.7
299.23260	2.0
305.03180	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1642
Annotation	Iso-Olomoucine
Peak:m/z	Relative Intensity
52.75138	0.3
53.07477	0.3
54.02261	0.3
55.05500	1.6
57.07042	0.8
62.17721	0.3
65.03930	0.5
67.05479	0.9
69.07078	2.8
69.83266	1.5
77.31219	0.3
79.05477	0.4
81.07064	1.7
83.08602	0.9
91.05484	6.9
93.07018	0.5
95.08569	1.2
97.10158	0.5
103.05444	0.9
105.07031	0.9
107.08568	0.4
109.10120	0.4
115.05451	0.4
117.06998	0.8
119.04946	3.7
119.08551	1.1
123.11735	1.8
128.06152	0.5
129.07068	0.5
131.08554	0.5
133.06490	1.2
133.10112	0.9
145.06435	0.6
145.10117	0.5
147.04416	16.4
152.16740	0.3
157.10208	0.5
159.04399	1.4
163.03949	1.3
173.05959	0.9
175.03909	100.0
176.04224	2.2
183.11583	0.3
187.03842	0.7
187.07504	0.3
189.03734	0.5
189.05469	10.1
190.05891	0.4
201.05522	2.2
203.03499	0.4
203.07027	3.9
215.07054	0.9
216.04375	0.4
216.06628	1.0
217.08578	5.3
227.07001	0.9
229.08592	2.1
231.02940	1.3
231.10202	0.8
235.11238	0.5
243.10207	3.1
257.11755	0.7
263.10553	0.4
281.11725	0.7
281.19052	0.3
282.28027	0.5
299.05530	0.9
299.09299	0.6
299.13235	0.6
299.16467	12.0
299.20044	1.3
300.16675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.5
55.05504	0.8
56.05009	0.5
57.07079	0.8
58.79086	0.4
60.82974	0.5
67.05495	0.8
67.19702	0.5
69.03422	1.3
69.07059	2.3
70.02959	0.8
70.06590	5.6
71.26686	0.5
71.27043	1.1
72.08144	2.1
80.43552	0.5
81.03414	1.6
81.07041	1.2
84.04503	1.0
84.08138	2.0
84.50349	0.4
85.02886	0.7
86.09703	2.8
87.05599	1.1
91.05465	1.0
93.07004	0.6
95.04975	0.4
95.08617	0.7
105.03394	0.8
109.02853	0.6
110.07145	0.9
111.04406	0.6
119.08552	0.5
121.02853	1.0
121.03887	0.4
123.52606	0.4
125.07048	0.4
127.03894	0.7
129.10201	0.7
130.06529	34.6
132.04483	0.9
132.06831	9.4
133.10150	0.5
134.05980	0.7
137.02347	5.0
139.05020	0.8
145.07646	0.9
148.64433	0.4
154.04947	0.5
155.06046	5.2
156.06812	1.9
157.07613	80.5
158.06049	0.9
158.07848	0.9
159.09140	0.9
160.92067	0.5
163.03894	0.7
167.06004	0.9
169.07632	3.6
181.07614	1.0
183.05568	2.3
184.08702	88.2
185.07098	7.1
185.09029	1.4
190.06752	0.6
195.05582	0.6
198.10258	4.1
199.08669	0.7
202.09718	1.0
209.07104	1.1
212.08185	20.5
221.07169	0.7
226.09779	2.4
237.06569	1.5
240.07668	34.7
241.08038	0.7
254.09247	8.2
255.14378	0.7
258.08780	0.9
268.91309	0.6
271.11945	3.3
282.08737	100.0
283.09003	1.9
299.06110	1.7
299.11404	27.6
299.16690	1.1
299.20163	0.9
300.10254	0.6
301.05884	0.8
303.88055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68898	0.4
62.69552	0.4
69.07069	3.2
69.87183	1.8
91.05479	6.5
103.05471	0.4
112.70500	0.5
119.04955	3.3
147.04407	14.4
175.03906	100.0
176.04243	2.6
180.26898	0.4
189.05435	1.8
213.78143	0.5
217.98392	0.4
231.10162	24.8
232.10487	0.8
256.17545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.164
Annotation	Auraptene
Peak:m/z	Relative Intensity
51.13184	0.9
64.55699	1.1
67.05489	1.5
69.07054	0.9
70.46678	1.9
70.47079	1.6
79.05495	1.7
81.07064	11.1
91.05479	7.4
95.08592	7.1
98.20825	1.3
107.04954	15.1
119.04949	11.4
120.60036	0.8
132.64842	0.9
135.04428	1.2
137.13220	3.3
159.04384	1.4
163.03905	100.0
164.04198	1.1
175.03922	1.8
189.05469	3.1
201.05486	1.4
203.06985	1.0
215.07031	1.9
265.65179	0.9
299.16354	3.7
318.46936	0.8
324.62817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84549	0.2
53.03935	0.4
55.05520	0.5
61.83220	0.3
65.03945	1.3
65.48090	0.3
67.05494	1.2
69.03432	0.4
70.05424	1.2
75.94222	0.2
79.05482	0.7
81.03397	0.3
81.07043	0.7
83.04963	1.4
89.03928	1.3
91.05477	4.5
93.07037	0.6
95.01317	0.3
95.04932	0.5
95.08598	0.6
99.08067	0.3
99.67894	0.2
103.05474	0.4
105.03387	0.5
105.07027	0.4
105.46819	0.3
107.04927	0.4
107.08566	0.6
109.02877	1.0
109.10132	1.0
117.03345	0.5
118.04169	0.3
119.04940	2.4
119.08551	0.5
121.02834	0.4
121.10128	0.3
123.11716	0.3
129.03392	0.5
131.04929	0.4
133.02826	0.4
133.10155	0.3
135.04388	0.7
137.02406	0.3
141.75766	0.3
143.01262	0.7
143.08574	0.3
145.02847	3.5
146.05978	0.8
147.00751	0.4
147.04411	3.5
147.11612	0.3
157.10095	0.4
159.04399	5.0
160.01550	3.7
163.03853	0.3
169.91780	0.3
172.01526	1.0
173.02350	3.7
174.03055	0.4
174.05550	0.3
175.03906	34.9
176.04240	0.7
178.04990	0.4
185.05980	0.4
186.03130	1.4
187.03894	2.8
188.01054	9.7
188.04645	3.1
191.03191	0.3
200.04680	0.3
201.01830	2.5
201.05379	1.4
202.02586	0.6
203.03389	21.4
204.03781	0.5
211.07597	0.4
213.05428	0.4
215.03394	8.7
216.00690	0.5
216.04167	11.1
217.04942	2.7
218.02057	1.4
227.07262	0.3
229.04965	7.9
230.02057	0.4
231.02875	100.0
232.03258	1.8
233.04448	0.8
238.06239	0.3
239.07066	0.5
242.05736	1.8
243.06494	0.9
243.10129	0.4
256.07227	0.6
257.08087	2.8
271.09674	2.5
299.05597	0.7
299.09116	10.9
299.20114	0.5
299.23526	0.4
300.09262	0.4
323.54309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	14.7
55.01873	31.4
55.05513	23.8
57.03432	16.9
57.07064	9.2
59.04996	6.4
59.28087	3.0
61.02920	10.9
61.88708	2.8
64.66158	3.4
65.03941	4.1
67.05515	46.9
68.99792	22.1
69.03430	68.8
69.07069	50.8
69.10194	3.2
70.06573	12.7
70.11945	3.4
70.64793	9.4
71.01363	9.0
71.04990	17.8
72.08142	9.6
73.02907	7.5
76.65234	3.3
79.05502	69.8
80.85586	3.2
81.03422	58.7
81.07060	100.0
83.04972	23.7
83.08614	10.4
84.08165	4.6
85.02911	77.7
85.06538	15.5
86.09711	7.2
87.00825	47.8
87.04481	6.4
91.05482	78.3
93.06477	6.9
93.07044	92.4
95.04964	37.6
95.08607	55.6
95.88461	3.5
97.02888	28.5
97.06531	87.5
97.10091	4.5
99.04444	11.1
99.08087	7.0
103.03949	6.3
103.05493	7.5
105.01845	6.2
105.03419	3.3
105.07026	55.3
107.04958	29.2
107.08591	77.0
109.02869	15.3
109.06518	91.2
109.10187	19.4
111.04448	14.2
111.08096	30.9
113.02373	18.2
113.05987	11.0
115.05451	10.6
116.06239	7.8
117.01913	5.0
117.07034	13.0
119.04942	6.9
119.08587	41.8
121.02855	7.5
121.06503	31.0
121.10149	29.3
123.04456	17.6
123.08073	55.4
125.05992	18.1
125.09657	16.0
127.03947	15.8
127.07554	7.9
129.01834	11.0
129.06987	10.9
131.08574	46.8
131.36661	3.5
133.06494	17.5
133.10144	7.5
134.03636	3.3
135.04404	15.2
135.08057	42.1
135.11607	3.9
137.02362	7.3
137.05922	8.2
137.09601	14.6
139.03960	4.2
139.07542	33.4
141.06947	4.0
144.05724	4.0
145.05014	3.5
146.06003	5.7
147.02895	3.6
147.04390	7.9
147.08066	21.9
149.05922	6.3
149.09628	71.2
151.07559	42.5
153.05460	4.7
153.09094	31.9
155.10664	3.5
159.02902	10.0
159.08052	24.6
163.07562	4.2
165.01892	4.7
165.09091	24.9
167.10655	11.5
171.02858	6.9
171.11736	4.0
175.03925	7.0
177.09099	97.5
179.03313	5.4
181.06546	4.2
183.13498	3.3
189.03961	9.7
195.10168	93.6
207.06520	7.8
210.06796	4.7
213.11168	20.2
250.34425	3.5
263.09097	6.5
281.10223	24.1
299.05505	15.1
299.11316	82.2
299.14349	4.6
299.20099	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	299.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01866	0.8
55.05499	1.4
57.07066	0.7
63.02392	0.3
65.03922	1.2
67.05504	2.5
68.99775	0.4
69.03401	0.7
69.07060	1.0
71.01347	0.3
71.08565	0.3
71.52235	0.6
71.58337	0.3
73.50128	0.3
79.05489	1.0
81.03410	0.7
81.07043	1.5
83.04964	1.4
83.08617	0.5
87.65914	0.3
89.03912	1.5
91.04971	0.5
91.05482	5.6
93.07017	1.0
95.01318	0.4
95.08603	1.8
103.05447	0.6
105.07017	1.1
107.04940	0.9
107.08563	0.5
109.02880	0.8
109.10144	1.8
117.03316	0.4
117.07034	0.4
119.04945	2.4
119.08569	0.9
121.06503	0.8
123.11694	0.8
129.06953	0.4
131.04900	0.7
131.08575	0.5
132.02016	0.3
133.02887	0.5
133.10107	0.9
134.03630	0.3
135.04416	1.8
137.02324	0.5
141.01854	0.8
143.01241	0.4
143.08586	0.4
145.02841	3.4
145.06529	0.3
145.10152	0.6
147.00818	0.4
147.04390	2.4
147.11700	0.4
151.03909	0.4
153.01825	0.4
155.08530	0.7
157.10167	0.7
159.04434	4.2
159.11760	0.7
160.01569	3.9
163.03882	0.7
165.01834	8.1
172.01570	0.7
173.02362	3.5
174.03146	0.4
175.03909	35.8
176.04210	1.2
178.04968	1.6
179.03378	0.5
181.01311	0.6
181.06500	0.5
183.02913	7.3
183.11708	0.4
186.03073	1.2
187.03880	2.2
188.01042	11.1
188.04694	2.7
189.01535	0.4
191.03394	1.3
195.02875	0.5
197.05930	0.3
197.13246	0.4
199.03998	0.5
201.01849	2.5
201.05489	1.5
201.12831	0.5
202.02631	0.9
203.03401	19.7
213.05499	0.4
213.12778	0.5
214.02750	0.4
215.03365	7.6
216.00685	0.8
216.04184	10.4
217.04869	3.0
218.02103	1.5
219.03024	0.4
229.04971	7.5
230.05463	0.4
231.02882	100.0
232.03185	3.7
233.04411	0.9
241.04840	0.4
242.05641	1.6
243.06664	0.5
243.10100	0.5
255.13799	0.6
256.07349	0.9
257.08060	3.0
271.09753	1.9
297.03976	0.6
299.05518	5.6
299.09128	12.8
299.12476	0.8
299.20117	1.6
299.23492	0.7
300.09390	1.1
300.16025	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0549
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.59886	0.2
61.58856	0.2
66.42265	0.2
67.01840	0.2
67.05501	0.5
68.99773	2.0
69.00067	0.2
69.31625	0.5
69.32032	1.7
71.01340	0.3
79.05491	0.3
79.35279	0.2
81.07040	0.5
91.05479	1.1
92.99777	1.1
95.04932	0.3
95.08617	0.3
107.01289	0.3
107.04954	0.4
109.10117	0.3
119.04945	2.1
119.08586	0.4
121.02863	5.6
129.07033	0.3
131.04933	0.7
133.10175	0.4
139.00285	0.6
145.02855	1.8
153.01852	0.7
153.06981	0.4
155.08606	0.3
160.10622	0.2
161.09601	0.2
163.03905	9.3
165.01952	0.2
165.06987	0.3
168.05728	0.3
169.10228	0.2
175.03938	0.3
178.99757	4.1
179.03308	0.3
181.01320	19.4
182.01689	0.3
182.07280	0.3
183.08073	0.4
185.05986	0.3
187.03889	2.4
196.05209	0.4
197.00815	5.1
197.13393	0.3
199.02345	0.8
211.07533	0.5
213.05449	0.6
224.30376	0.3
228.07918	0.3
231.02924	1.1
239.06943	0.2
241.04948	0.7
243.02841	0.7
243.10184	0.4
245.04428	1.5
253.04926	2.2
255.02858	0.6
256.07300	0.5
269.04523	1.0
271.06253	1.2
271.09268	0.3
273.03943	5.0
284.06812	0.6
297.00546	0.3
297.03949	8.4
299.05508	100.0
300.05801	2.6
315.04977	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	299.0548
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.03941	0.4
55.05490	0.6
57.07061	0.5
63.53189	0.2
65.03929	0.3
67.05491	0.8
68.99784	2.3
69.03431	0.5
69.07061	0.9
69.64059	0.6
69.64481	0.6
70.06583	0.5
72.08128	0.3
79.05483	0.6
81.03400	0.4
81.07043	1.3
83.04961	0.4
83.08613	0.2
91.05474	1.1
92.99776	1.0
93.07036	0.8
93.40121	0.2
95.04950	0.3
95.08603	1.1
98.21461	0.2
103.05462	0.2
105.07016	0.9
107.01302	0.4
107.04940	0.4
107.08593	1.0
108.51561	0.2
109.10131	0.8
111.04392	0.3
111.08057	0.2
113.02313	0.2
119.04945	2.0
119.08564	0.8
121.02872	3.8
121.10098	0.6
123.11697	0.7
129.06982	0.4
131.04910	1.3
131.08501	0.4
133.06497	0.3
133.10132	0.6
135.04395	1.7
135.08044	0.4
139.00237	0.3
142.07741	0.2
145.02834	1.8
145.06444	0.2
145.10121	0.7
147.04387	0.5
147.08098	0.2
147.11633	0.3
153.01837	0.8
157.10065	0.3
159.04439	0.4
159.08017	0.2
159.11801	0.3
161.05916	0.2
163.03903	9.2
165.01901	0.3
165.06961	0.2
169.10112	0.3
171.11646	0.2
173.09669	0.3
173.13332	0.3
175.03932	0.7
178.04967	1.8
178.99750	2.0
179.03426	0.3
181.01318	11.2
183.02852	0.7
185.05893	0.3
187.03889	3.1
188.07002	0.3
197.00816	3.8
199.02394	0.5
202.05060	0.3
203.03413	0.6
213.12459	0.2
216.04234	0.4
216.06496	0.3
217.05049	0.3
223.08530	0.2
225.05569	0.2
228.71324	0.2
229.04926	0.6
231.02873	2.3
231.46002	0.2
243.10194	0.2
245.04417	1.7
253.04976	2.3
253.13380	0.3
255.02859	0.3
255.13907	0.7
257.07977	0.3
269.04434	0.9
271.06094	1.4
273.03940	5.4
281.18961	0.2
297.03946	6.9
299.05496	100.0
299.20090	0.9
300.05832	2.6
300.08969	0.4
300.15982	0.8
315.04977	13.6
316.05383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1437
Annotation	Anibacanine
Peak:m/z	Relative Intensity
53.03941	2.2
55.01872	1.5
55.05507	2.5
65.03956	1.4
67.05493	4.8
69.07056	3.4
70.06578	3.3
71.12128	2.0
72.00878	46.7
72.08134	2.2
77.03902	0.9
79.05486	6.4
81.03400	2.6
81.07046	2.9
82.43469	1.1
84.08092	1.7
86.09705	1.4
88.95101	1.2
90.01894	2.5
91.05471	7.8
93.07040	7.0
95.04958	3.5
95.08606	3.9
103.05479	1.8
105.03394	6.7
105.07030	10.2
106.04209	1.1
106.06575	1.5
107.04971	6.1
107.08594	17.5
108.08981	1.1
109.10145	3.5
115.05430	2.2
119.04974	1.8
119.08562	3.4
121.02872	2.6
121.06503	2.8
121.10153	16.8
123.04356	1.1
128.06207	2.5
129.06996	1.2
131.04868	1.1
131.08504	1.8
133.02878	6.4
133.05290	1.2
133.06491	3.7
133.10146	6.5
134.03629	4.4
134.06024	2.5
135.04422	30.5
135.05411	1.3
136.03932	1.4
136.06178	5.0
141.06989	4.0
142.07794	1.4
143.08514	2.6
144.05618	1.7
145.06471	3.1
146.06013	1.3
147.04388	6.3
147.08046	2.1
151.03893	4.2
152.06248	2.0
153.06979	3.4
154.04964	1.9
154.07710	1.3
155.08542	11.4
157.06473	1.5
157.07639	1.1
157.10153	1.4
159.04385	1.4
159.08116	1.7
161.06050	1.9
165.06993	4.2
167.08580	6.1
168.05722	5.1
169.06497	7.8
169.10117	2.0
170.06042	1.3
170.07259	7.3
171.08080	6.8
173.05997	2.0
174.05533	1.6
178.02361	1.3
178.04999	32.3
178.07759	1.1
179.08466	2.4
181.06523	3.4
181.10071	2.7
182.07411	5.5
183.06543	2.3
183.08066	22.5
183.11589	2.1
184.08788	3.7
185.05995	2.2
185.09592	14.3
192.06549	12.8
192.09407	2.8
193.10149	4.8
195.08099	7.8
196.07344	1.8
196.09027	5.2
197.05963	9.9
197.07870	2.2
197.09744	7.1
197.13220	2.4
199.07573	2.4
199.11145	1.9
200.07140	1.2
202.04837	2.0
207.11678	3.5
208.07440	1.5
209.09688	2.1
210.08882	2.4
210.10391	4.9
211.07576	37.1
211.11171	24.5
216.06488	2.5
220.07600	3.4
223.07538	1.5
224.06981	1.9
225.07588	1.9
225.09319	3.0
225.12741	12.0
226.13538	17.1
227.14261	5.7
230.08116	2.0
235.11232	2.9
237.12823	2.0
238.08627	29.7
238.12227	2.4
239.09261	2.3
241.08539	1.3
242.08098	26.8
248.10724	1.7
249.09137	2.9
251.10730	2.6
252.10144	2.4
252.13795	1.4
253.12242	57.6
254.12572	2.4
256.09689	14.3
258.12491	3.3
262.12265	2.3
263.13010	2.6
265.12119	2.1
266.09262	1.2
266.11871	4.0
267.68326	1.4
270.11292	1.4
280.10098	1.5
280.13318	7.7
281.14078	7.7
298.07813	3.4
298.14389	100.0
299.05576	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	298.2741
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
53.03937	1.5
55.05514	11.9
56.05037	5.9
57.07092	5.1
58.02953	2.0
60.04528	6.2
65.03954	0.8
67.05511	19.4
68.05034	2.9
69.03415	1.5
69.07072	13.2
69.89094	4.9
70.23721	0.8
71.08630	1.8
73.86555	0.9
79.05496	11.9
80.05025	2.2
81.07059	17.5
82.06571	8.1
83.04983	2.2
83.08620	8.1
84.08150	1.3
84.42169	0.9
86.06082	2.2
91.05481	10.3
93.07057	11.4
94.06577	4.0
95.04980	2.3
95.07351	1.0
95.08612	15.3
96.08146	1.5
97.06543	1.5
97.10180	3.6
98.06036	1.1
100.07626	1.9
105.07031	3.8
107.08603	4.2
109.10148	5.6
114.99497	0.9
119.08594	4.0
121.10155	3.8
122.09628	1.9
123.11748	1.6
128.85008	0.9
133.10159	3.3
135.11693	3.4
136.06201	4.2
147.04439	1.9
147.11674	1.5
148.04745	1.3
161.13176	1.1
163.03923	1.3
175.03940	8.4
176.04260	3.9
188.04294	1.2
194.56581	1.1
200.04222	1.8
203.03436	2.0
213.05449	2.0
214.05821	2.6
216.04257	1.0
229.05121	1.5
231.02878	11.7
242.08931	2.2
245.22519	1.3
250.25276	7.2
256.10764	1.4
256.14294	1.5
262.25284	5.2
280.26367	100.0
281.26633	1.6
298.15149	13.0
298.27545	6.3
299.08560	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1437
Annotation	Anibacanine
Peak:m/z	Relative Intensity
53.03928	1.6
55.01862	1.2
55.05497	2.6
55.76314	0.9
65.03938	1.0
66.73207	0.8
67.05505	12.5
69.06727	1.2
69.07074	15.3
70.65703	3.4
71.45995	0.8
72.00876	29.2
74.17830	0.9
77.03909	2.0
78.04739	1.1
79.05490	7.8
81.07051	10.9
83.04950	1.5
83.08601	1.7
90.01949	1.0
91.05477	7.7
93.07048	10.9
95.04958	1.5
95.08609	18.3
105.03397	2.1
105.07014	7.9
106.06535	1.0
107.04945	6.7
107.08592	11.6
109.06550	1.0
109.10160	11.9
115.05489	0.8
117.07022	1.5
119.04944	2.8
119.08571	3.9
121.02879	2.1
121.06512	1.6
121.10157	8.0
129.06967	1.2
130.04128	1.7
131.04910	3.8
131.08546	2.5
133.02881	5.3
133.06496	5.7
133.10136	5.8
134.03659	2.0
134.05978	2.6
135.04416	26.0
136.06197	3.7
141.07013	1.3
144.05690	2.3
145.02847	1.0
145.06491	3.6
147.04399	4.0
147.08060	2.9
150.05539	1.1
151.03876	3.6
155.08521	1.9
157.06500	3.0
158.03656	6.6
159.04390	5.0
159.08038	3.3
161.04718	2.2
162.03133	2.2
163.03868	1.9
165.07060	1.3
167.08653	1.4
169.06509	3.4
170.07301	1.5
171.04420	2.0
171.08029	2.6
172.05298	1.6
173.05933	2.0
175.03918	3.1
176.04628	3.4
178.03444	2.0
178.04990	33.4
181.01334	3.9
181.06538	1.5
182.07240	1.3
183.08058	5.2
184.03833	1.0
184.08951	1.2
185.06035	2.4
185.09669	1.6
187.03835	1.0
190.04971	2.1
192.06529	2.4
192.09279	1.6
194.09543	1.4
195.07986	1.8
196.07368	1.2
197.00800	1.1
197.05971	1.8
197.09648	2.9
198.09224	1.8
199.07631	2.1
199.11089	1.0
200.07146	1.9
202.04979	33.0
204.06569	4.9
207.11632	1.3
209.09703	1.7
210.08939	1.0
211.07538	2.8
211.11150	3.2
212.07095	1.4
214.06410	1.3
216.06558	26.7
218.08073	2.2
219.07764	1.0
224.07079	1.1
225.09134	1.9
225.12701	5.4
226.13535	2.8
227.07007	2.4
227.14278	7.9
228.06540	3.0
229.08559	1.3
230.08099	9.7
234.09068	1.2
235.11119	2.6
236.10899	1.1
237.12721	1.7
238.08560	2.9
242.08165	6.6
248.10733	1.7
252.13947	2.2
253.12238	42.7
256.09683	3.0
256.14059	2.0
262.12335	1.8
263.13046	2.9
265.12119	1.1
266.11853	1.2
270.11163	1.3
280.13364	7.3
281.14157	4.7
283.04807	2.8
283.13177	1.6
297.03976	1.7
298.07394	6.2
298.14383	100.0
299.05484	19.3
299.14685	2.1
313.15906	1.3
315.05051	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	298.1145
Annotation	Nelarabine
Peak:m/z	Relative Intensity
53.03952	0.3
55.01868	0.5
55.05515	0.5
55.10139	0.2
56.05037	0.4
56.96578	1.2
57.03439	0.4
57.57153	0.2
61.01153	1.3
61.02911	0.3
67.02975	0.2
67.05492	0.3
68.05008	0.3
69.03424	1.6
69.07030	0.3
69.21191	1.7
69.21621	0.9
70.06583	2.9
71.01328	0.3
71.04974	0.3
72.08157	2.6
73.02916	0.4
73.55072	0.2
74.06058	0.3
75.02682	0.7
79.05495	0.4
81.03403	0.5
81.04551	0.3
83.04982	0.2
83.06114	0.3
84.04509	0.5
84.08145	1.9
85.02908	2.1
85.06533	0.3
86.09697	0.7
87.04455	0.4
91.05477	0.2
95.04951	0.4
97.02885	1.3
98.97594	1.7
99.04425	0.3
100.38648	0.2
101.06006	0.7
105.03401	2.7
106.03731	1.9
107.04965	0.5
109.02828	0.4
109.05119	1.0
110.03521	0.5
110.07143	1.0
111.67207	0.3
112.08713	0.3
114.05524	0.3
116.07091	0.3
116.98619	0.7
119.04973	0.2
119.06988	0.4
120.08059	0.4
121.05067	0.3
121.07646	0.3
122.08359	0.3
124.03922	0.7
127.03867	0.7
128.04510	0.7
129.10265	0.5
133.07629	0.5
134.99596	0.5
135.04434	0.3
136.03961	1.4
136.06180	24.5
142.04999	0.3
145.03130	0.3
146.99706	0.3
148.06172	0.4
148.08717	0.8
149.04588	3.7
152.05699	1.9
152.06853	0.4
153.04068	2.6
154.04977	2.4
161.04672	0.4
162.09209	0.5
163.04132	0.5
165.08998	0.7
166.07243	100.0
167.05655	9.3
167.07198	0.8
177.00746	0.4
178.07251	0.4
178.09790	0.9
189.00681	0.4
193.10854	2.9
212.38376	0.2
218.07875	0.3
219.01733	0.4
237.02861	0.5
239.11385	4.5
280.08127	0.4
281.22787	0.3
283.02887	0.3
292.98639	0.3
298.09332	1.3
298.16586	0.3
298.18567	0.9
298.21622	0.5
298.24808	0.4
299.06171	0.8
299.10623	0.3
300.06348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1434
Annotation	Erythraline
Peak:m/z	Relative Intensity
59.04998	0.8
67.05476	0.7
70.57203	1.0
70.57533	0.5
72.66928	0.5
79.69775	0.4
81.07034	0.7
83.92992	0.5
91.05473	1.6
95.08594	0.7
105.03357	0.9
106.03708	0.7
109.10143	0.9
110.10475	0.9
116.02512	0.4
119.04901	0.7
121.10120	0.8
123.11705	1.3
124.12067	1.1
130.06485	0.8
136.06184	1.1
143.07327	0.7
144.08078	0.8
146.05981	1.2
146.35120	0.5
147.04385	3.4
148.04756	1.9
155.07274	1.5
156.08092	3.6
158.06009	1.0
163.03850	0.6
167.07263	1.0
168.08092	3.0
169.08832	1.4
170.09622	5.3
172.07559	0.6
175.03914	11.3
176.04251	11.9
180.08093	7.1
181.01311	2.8
181.08821	3.2
182.05995	2.0
182.09676	3.7
183.06778	2.9
184.07547	5.5
184.11177	1.5
194.09654	5.6
195.10416	1.5
196.07588	7.5
196.11234	1.6
197.00813	1.1
197.08356	16.2
198.09138	25.7
199.09792	1.0
208.07523	0.8
208.11151	0.6
210.09146	2.7
210.12770	7.1
212.07098	19.5
212.10674	26.7
213.07726	1.4
214.08678	0.8
215.09364	0.6
222.09155	1.0
222.12808	1.7
224.07115	1.0
224.10776	1.0
225.07838	14.5
226.08612	27.6
227.09421	5.4
228.08075	0.5
228.10181	3.3
231.02858	2.5
234.12631	0.9
238.12318	1.6
240.10184	35.8
241.10710	0.9
242.08971	1.1
252.13774	1.4
256.13312	0.6
260.27856	0.6
266.11783	3.7
268.09698	8.8
270.14758	0.5
279.03549	0.8
280.13278	0.8
283.12119	2.6
297.04050	0.6
298.14383	100.0
299.05463	9.2
299.14706	2.2
315.04922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39302	1.2
56.96328	1.8
56.96571	14.6
63.71327	1.2
70.19955	4.5
94.96261	1.1
98.97585	100.0
112.84269	1.3
116.98624	64.0
130.93297	1.8
134.99654	24.9
140.00209	2.2
153.00728	3.0
154.94191	1.5
158.01292	1.8
172.94228	2.6
190.95451	4.4
214.95416	1.9
219.02106	2.7
232.96477	5.3
235.99771	1.7
250.97569	6.5
256.96402	10.5
261.03061	4.5
273.94669	1.9
274.97516	75.6
291.95572	1.7
292.91422	1.7
292.98529	57.7
297.98996	2.3
301.59390	1.2
316.00204	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	297.9913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03917	1.3
55.77547	1.2
56.96302	1.4
56.96565	18.8
57.03428	1.2
61.01141	3.6
62.02907	1.3
70.06593	5.1
70.60206	2.2
70.60579	2.5
71.95226	2.4
72.08132	1.8
75.02695	1.9
84.04504	2.0
84.08135	2.8
85.02891	2.2
97.02878	2.9
98.78004	1.4
98.97584	100.0
105.03418	1.5
110.07151	3.6
116.98621	71.0
118.06570	1.3
134.99654	31.8
136.06180	67.0
140.00078	2.2
145.03221	1.1
153.00687	3.2
158.01292	1.8
166.07248	25.0
166.09731	2.7
172.94409	2.4
178.09766	3.1
190.95358	7.1
193.10919	10.3
208.96513	3.3
214.95395	2.0
232.96436	9.6
239.11375	12.2
248.99446	1.5
250.97563	5.7
256.96442	10.6
274.97510	90.1
275.97842	1.7
292.98566	75.1
293.03644	4.2
297.99109	4.0
298.09833	2.0
298.18719	5.1
316.00183	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	298.0969
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
50.46897	0.1
54.21705	0.1
55.01845	0.2
57.03432	0.3
60.04517	0.2
61.01151	5.1
62.16635	0.1
69.03423	0.6
69.07050	0.5
69.67853	0.4
69.68278	0.4
70.06590	1.3
72.08155	1.4
74.06081	0.1
75.02704	2.5
81.03412	0.5
81.07029	0.2
84.04511	0.2
84.08136	1.0
85.02879	0.2
86.09710	1.0
91.05492	0.2
93.07035	0.2
94.04056	0.3
94.06579	0.2
95.01327	0.2
97.02892	1.5
98.06035	0.1
98.20851	0.2
103.02166	0.3
105.03407	0.2
105.07050	0.1
107.04953	0.2
108.04467	0.2
108.05207	0.1
109.02858	0.3
110.06093	0.2
110.07132	0.3
118.06544	0.1
119.03554	0.9
120.04462	0.4
120.08096	0.2
124.03976	0.2
124.07618	0.1
129.10184	0.3
130.06532	0.2
136.03963	2.5
136.06180	100.0
137.04559	0.6
137.06638	0.8
145.03189	1.4
146.05959	0.3
151.39993	0.1
154.04999	2.2
154.08641	0.2
160.07599	0.2
163.04237	1.4
168.44081	0.1
174.73978	0.1
193.10875	0.2
210.14940	0.2
238.07552	0.1
239.11256	0.2
254.13849	0.3
255.06560	0.1
264.20053	0.1
280.08237	0.3
280.11728	0.1
281.22275	0.2
298.09659	3.5
298.12762	0.3
298.16589	0.3
298.19739	0.2
298.24890	1.2
299.09839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2425
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.85839	2.5
51.07507	2.9
52.60423	3.3
53.03956	4.1
53.61222	3.0
55.01864	13.7
55.05513	73.0
56.00798	3.1
57.02658	3.4
57.03426	11.6
57.07074	22.3
61.03140	2.7
65.03936	6.1
67.05505	94.5
69.03432	6.2
69.07070	64.8
71.01349	4.5
71.04984	6.8
71.08649	15.8
71.33256	3.7
73.81461	3.0
79.05495	49.7
81.07059	100.0
82.07387	2.7
83.04964	9.4
83.08623	48.1
85.06532	8.5
85.10177	3.4
91.05450	13.1
93.07045	37.6
95.04948	3.3
95.08608	75.1
97.06514	12.5
97.10169	50.0
99.08046	3.6
105.03381	8.6
105.07019	11.5
107.08601	41.2
109.06527	6.8
109.10162	46.9
111.08075	9.8
117.07027	8.1
119.08582	9.4
121.10148	19.0
123.08070	3.2
123.11732	14.8
125.09636	37.2
127.58105	2.8
129.03120	3.1
131.08548	10.1
133.10088	7.3
135.08052	10.9
135.11703	35.7
136.06142	3.6
137.13248	8.9
147.11673	6.4
149.13219	7.1
153.09090	3.6
153.12773	9.8
159.11674	5.4
161.13286	4.0
163.03813	4.0
163.14784	4.6
165.12747	3.3
169.15892	7.2
173.11751	8.1
173.13239	7.6
175.03888	15.4
176.04126	3.0
179.14366	3.5
181.12294	4.9
183.13824	52.5
187.14734	4.2
189.11247	22.5
214.59242	3.3
223.16896	3.7
226.06160	4.1
234.54543	3.2
241.08562	13.6
243.21071	8.7
251.23700	9.7
255.10121	5.2
259.98013	3.2
261.22092	31.5
279.23157	58.1
280.23584	3.6
288.61798	3.1
297.14792	22.1
297.17969	3.4
297.24307	6.9
298.15210	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	297.2424
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.83029	2.0
55.05507	13.0
56.11519	1.9
56.42252	1.8
57.03419	3.9
57.07062	7.2
62.06075	5.7
67.05505	33.8
69.03416	1.9
69.07063	17.5
69.78164	6.0
69.78576	5.3
71.05001	2.9
71.08633	100.0
78.97393	1.9
79.05495	18.3
81.07059	49.9
83.04984	4.3
83.08606	12.7
85.06522	2.2
85.10148	2.5
91.05467	13.6
93.07053	17.6
95.04964	3.6
95.08601	35.9
97.06540	5.0
97.10155	7.2
99.08096	90.8
105.03397	13.7
105.07027	19.2
107.08604	13.0
109.06502	2.7
109.10160	16.3
111.08060	4.7
112.37511	2.1
118.71784	2.4
119.04964	2.0
119.08559	11.2
121.10153	13.1
123.11728	11.3
125.09602	2.8
127.11170	6.2
131.08559	9.1
133.10147	4.1
135.11693	8.8
136.06165	4.1
137.13257	4.3
145.10126	10.9
147.04414	2.4
147.11687	45.1
149.09595	3.2
149.13284	4.4
151.11179	1.9
151.15015	2.0
153.12708	7.5
159.11671	3.9
161.13297	4.6
163.11205	7.0
163.14806	14.2
165.12746	14.3
167.14325	4.9
169.12241	2.4
173.13249	5.7
175.03864	10.3
177.04436	2.8
181.15919	5.8
241.08580	8.3
243.21022	15.1
251.23915	2.3
261.22125	17.8
266.12155	2.1
279.23190	51.9
295.31140	2.1
297.11746	2.2
297.14859	15.5
297.18558	3.6
297.21780	2.9
297.25406	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	297.1848
Annotation	Aethiopinone
Peak:m/z	Relative Intensity
55.05501	3.0
57.07059	3.3
60.21899	0.7
67.05504	3.6
69.03440	0.7
69.07072	6.9
70.07390	1.6
71.51555	0.8
79.05507	4.1
81.03407	2.1
81.07051	3.8
81.48467	0.6
83.04969	0.8
83.08613	1.3
85.78516	0.7
91.05487	4.6
92.46639	0.7
93.07038	5.4
95.04972	3.7
95.08614	3.5
97.06530	0.8
97.10171	0.6
105.03355	3.4
105.07025	7.5
107.04964	1.2
107.08592	7.2
109.10162	2.7
114.49305	0.7
115.05432	1.1
115.07536	1.0
117.07040	1.9
119.04923	1.1
119.08604	4.8
121.06495	0.9
121.10125	3.9
123.11700	2.0
125.75275	0.8
128.06221	2.7
129.06984	3.9
131.08571	4.8
133.06467	3.0
133.10132	5.5
135.08025	1.9
135.11761	3.8
141.06966	1.9
142.07785	2.7
143.08563	5.5
144.09297	1.0
145.06487	2.2
145.10072	5.7
147.04395	2.5
147.08047	0.9
147.11635	1.9
153.07050	1.2
154.07722	1.0
155.08540	4.1
156.09325	2.2
157.06476	1.4
157.10162	6.9
159.04448	1.5
159.08028	1.4
159.11681	2.0
161.05954	7.1
161.09612	1.5
163.03894	6.8
163.07535	1.2
165.07025	2.0
167.08542	3.7
168.09332	1.1
169.06427	0.9
169.10106	5.7
170.10817	1.0
171.08075	3.4
171.11671	2.9
172.08798	1.1
173.09657	1.2
173.13298	1.8
175.03960	4.7
176.04274	2.7
177.04419	2.0
179.08548	1.6
180.09348	1.0
181.10112	4.5
182.10866	1.6
183.08076	1.8
183.11703	6.4
184.08722	1.1
184.12474	1.4
185.09645	8.7
185.13234	2.7
187.03990	1.3
187.14876	4.5
189.09160	2.0
193.10155	3.0
194.10886	1.1
195.08067	2.1
195.11725	3.9
196.08716	1.3
196.12360	1.2
197.09612	2.6
197.13263	6.5
198.06711	1.0
198.14001	2.8
199.03857	0.9
199.07086	0.9
199.11243	1.5
199.14760	2.2
200.07413	3.6
201.05533	1.3
203.14610	0.7
207.11635	0.8
209.09584	3.1
209.13252	5.3
211.11221	5.1
211.14807	3.2
212.08377	1.5
212.12047	0.8
213.05638	1.5
213.09102	19.3
213.12433	0.9
215.14337	13.2
221.09703	1.5
221.13268	2.3
223.11139	1.0
225.09169	0.9
225.12735	2.9
225.16393	14.5
226.13504	5.9
226.17041	1.6
227.10651	7.1
227.14307	6.4
227.17914	12.2
228.06909	1.0
228.18364	0.9
236.15608	1.6
237.12770	4.5
237.16371	0.8
239.14325	5.9
240.11421	2.4
240.18727	5.0
241.08446	0.8
241.19475	3.9
251.17905	3.5
253.15845	2.1
254.12830	0.9
254.13681	0.8
254.16635	13.1
255.10167	17.0
255.13791	30.9
256.14078	1.3
269.10703	2.2
269.18994	100.0
270.19269	4.7
279.17349	4.0
296.09323	0.8
297.10458	10.9
297.14825	37.3
297.18469	79.8
298.15265	2.9
298.18802	4.3
298.27182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1596
Annotation	112225-87-3
Peak:m/z	Relative Intensity
50.01587	0.2
51.02371	0.6
53.00297	0.2
53.03944	3.8
55.01855	0.2
55.05508	0.3
67.05505	0.3
67.70580	0.2
69.33198	0.8
69.33627	0.6
72.08153	16.8
77.03916	1.0
79.05489	0.4
81.03422	0.3
81.07043	0.5
91.05464	0.6
95.04372	0.3
95.04965	6.0
95.08593	0.3
98.21461	0.3
99.01852	0.2
105.03389	100.0
106.03722	1.8
106.06577	0.2
109.10141	0.6
119.04951	0.3
121.10183	0.2
121.55054	0.1
122.06007	0.7
123.11695	0.4
130.06519	1.5
134.05992	1.5
136.45726	0.2
147.04402	1.4
148.07558	1.8
157.10216	0.2
158.05991	0.7
165.53404	0.2
172.23659	0.2
175.03900	5.1
175.12314	5.4
176.07152	0.9
176.10703	29.8
177.01736	0.3
177.11089	0.5
189.05563	0.3
194.49844	0.2
212.33659	0.2
255.10098	0.2
279.11490	0.2
279.14948	0.4
297.15985	13.5
298.16312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1597
Annotation	112225-87-3
Peak:m/z	Relative Intensity
50.01587	0.2
51.02377	0.5
51.48244	0.1
53.03946	2.9
55.01867	0.4
55.05504	0.6
57.07072	0.2
63.57639	0.2
67.05504	0.6
69.03394	0.2
69.07056	0.6
69.45105	1.5
70.06591	0.2
72.08155	16.7
77.03914	0.9
79.05484	1.0
80.38895	0.2
81.03410	0.5
81.07060	0.9
83.04942	0.2
83.08596	0.2
83.22939	0.2
91.05470	0.6
93.07032	0.9
95.04969	5.9
95.08600	1.0
97.06521	0.3
105.03391	100.0
106.03728	2.1
107.04942	0.5
107.08588	0.6
109.06510	0.3
109.10159	0.6
111.72492	0.2
119.04937	0.5
119.06790	0.2
119.08556	0.4
121.02879	0.2
121.06559	0.2
121.10117	0.5
122.06034	0.3
123.08151	0.3
123.11719	0.2
131.08562	0.3
133.10127	0.2
134.06021	1.9
135.04512	0.3
135.11679	0.2
136.06116	0.3
143.08585	0.2
145.10123	0.4
147.04411	1.1
149.13177	0.2
157.10126	0.2
159.11746	0.2
163.03873	0.5
166.49500	0.2
169.10117	0.2
175.03856	0.9
175.10880	0.3
175.12312	5.4
176.10707	30.1
177.01845	1.5
177.11017	0.7
213.09277	0.2
227.10732	0.2
237.09074	0.3
246.51944	0.2
255.10110	0.5
255.13751	0.6
265.08588	0.3
279.14825	0.6
279.23175	0.3
290.74716	0.2
297.04507	0.3
297.07538	0.9
297.10934	0.7
297.15958	13.6
297.21698	0.4
298.07391	0.4
298.10968	0.4
298.13757	0.2
298.16617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1848
Annotation	Crocetin dialdehyde
Peak:m/z	Relative Intensity
53.03947	1.8
53.32608	0.9
55.01851	3.7
55.05493	4.4
57.07061	2.3
67.05510	6.2
69.03422	2.0
69.07050	4.4
70.66514	3.1
71.08620	0.9
74.37959	0.9
79.05502	6.8
81.03420	24.4
81.07070	5.6
83.04971	1.3
83.08605	3.8
91.05487	8.0
93.07045	6.5
95.01321	7.4
95.04980	5.6
95.08619	5.5
97.10151	1.4
105.03375	2.7
105.07033	14.1
107.04958	2.7
107.08602	8.6
109.06507	3.4
109.10128	2.0
115.05389	1.8
117.07013	4.4
117.11491	1.0
119.04970	1.0
119.08578	7.7
121.06481	1.7
121.10112	4.6
123.11638	1.4
128.06264	2.4
129.06961	4.0
131.08540	6.6
133.06488	5.2
133.10101	6.0
135.08061	3.1
135.11688	6.0
141.06961	4.6
142.07768	3.8
143.08557	7.7
145.06450	3.8
145.10132	9.1
147.08090	2.5
147.11646	2.0
153.06964	2.7
155.08568	7.7
156.09283	2.1
157.06445	1.7
157.10101	7.5
159.08015	2.9
159.11696	3.9
161.05975	22.9
161.09624	2.4
161.13222	1.4
163.03850	1.5
163.07504	2.0
165.07025	6.6
166.07796	5.4
167.08577	6.5
168.09325	3.1
169.10152	13.8
170.07236	1.3
170.10841	1.7
171.08057	4.4
171.11647	4.6
173.09627	1.9
173.13228	2.9
175.03941	3.0
175.07500	1.6
177.04379	1.4
178.07825	1.5
179.08517	5.9
180.09254	3.2
181.06499	2.0
181.10133	9.6
182.10782	2.9
183.08093	4.9
183.11691	9.6
184.08803	1.9
184.12421	3.5
185.09572	3.6
185.13269	6.0
187.07626	1.4
187.14832	5.0
189.09119	2.5
191.08553	1.3
192.09224	1.9
193.10132	5.4
194.07268	1.6
194.10873	3.5
195.08034	4.7
195.11671	7.8
196.08820	1.7
196.12462	2.1
197.09639	8.3
197.13234	7.6
198.10277	1.3
198.13826	1.6
199.07697	1.4
199.11232	5.0
199.14812	1.9
201.12585	1.2
203.14308	5.5
205.10098	1.5
207.08006	1.7
207.11626	3.3
208.08759	3.1
208.12392	2.7
209.09625	11.5
209.13248	10.7
210.10188	2.2
211.11186	7.9
211.14772	4.2
212.11964	5.5
212.15562	1.9
213.09050	2.7
213.12746	4.0
215.10361	1.0
215.14333	16.4
219.08015	1.6
219.11690	1.9
221.09608	2.1
221.13206	2.4
222.10336	3.5
223.11227	5.1
223.14722	3.4
224.11861	1.1
225.12758	2.8
225.16362	11.5
226.13564	5.5
227.10593	2.6
227.14259	4.6
227.17923	10.6
233.13193	1.1
235.11014	1.6
236.12016	2.2
236.15439	1.5
237.09166	6.2
237.12720	9.0
237.16342	2.7
239.14258	4.5
240.18655	3.0
241.12196	3.3
241.15906	1.5
241.19498	4.6
251.10585	1.6
251.14284	3.1
251.18002	5.3
253.15746	2.9
254.10707	1.8
254.13011	2.3
254.16660	9.3
255.10092	2.6
255.13687	4.6
255.17340	2.4
267.13687	1.2
269.19006	70.8
270.19266	3.4
279.10077	1.1
279.13800	1.9
279.17328	7.5
280.26395	1.4
281.09454	1.6
282.10422	6.3
297.12402	7.2
297.14938	15.7
297.18420	100.0
298.09952	5.5
298.18820	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	297.1485
Annotation	5-Deoxyprotobruceol I regioisomer
Peak:m/z	Relative Intensity
53.03939	2.4
55.05515	5.3
55.16356	0.9
57.07061	1.7
60.25360	0.8
67.05508	6.6
69.07072	9.4
69.89938	5.3
79.05495	6.0
81.07073	10.4
83.08611	2.5
88.94258	0.9
91.05481	16.4
91.84812	1.1
93.07047	21.7
95.04936	1.4
95.08606	8.1
97.10148	2.1
103.05456	1.5
105.03381	3.8
105.07027	3.9
107.04944	4.1
107.08598	25.5
109.06550	0.9
109.10166	10.3
111.11718	1.9
115.05471	1.2
117.07025	2.2
119.04932	5.3
119.08516	1.4
121.10105	3.8
123.11704	5.8
128.06218	2.3
129.07004	3.0
131.04919	1.4
133.06462	2.6
135.04431	1.9
135.11696	24.6
141.06976	1.2
145.06458	2.8
147.04411	18.6
157.06451	2.2
159.04407	4.6
161.06015	1.1
163.03905	22.7
171.04385	6.1
173.05991	3.8
175.03914	89.7
176.04276	2.6
177.05563	1.6
185.06000	3.9
187.03934	8.3
187.07510	1.5
189.05478	19.5
199.02078	1.8
199.03906	33.2
199.07584	1.8
201.05481	12.1
203.06992	5.2
213.05466	27.9
214.06142	1.6
215.07025	5.9
217.08636	2.3
227.06981	8.8
229.08553	2.2
239.07120	1.1
241.08646	9.3
255.10251	5.8
272.76361	1.0
297.14844	100.0
298.15057	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	297.1485
Annotation	Karnatakafuran B
Peak:m/z	Relative Intensity
55.05496	1.2
57.07058	0.4
65.03919	0.4
67.05480	1.0
69.07050	1.2
69.73712	0.8
69.74135	1.4
71.08604	0.3
76.39506	0.4
78.10599	0.3
79.05497	0.7
81.07043	1.2
83.08598	0.5
91.05471	1.7
93.07050	1.6
95.04992	0.3
95.08594	0.9
102.78872	0.3
105.03397	1.1
105.07035	0.5
107.04958	0.6
107.08590	1.0
109.10149	0.9
117.07024	0.6
119.04942	1.2
119.08576	1.1
121.10163	0.7
123.11684	0.5
127.56015	0.3
128.06241	0.7
129.06999	1.5
131.04964	0.3
131.08542	0.5
133.06477	1.0
136.06201	0.3
141.06958	0.6
142.07793	3.1
143.08533	1.7
145.06500	0.5
147.04361	0.8
153.06946	0.4
155.08575	0.5
156.09320	0.7
157.06516	1.6
157.10146	4.3
159.04385	1.5
163.03911	2.7
165.07030	0.9
166.07741	0.5
167.08556	1.7
168.09201	0.5
169.06557	0.8
170.07230	0.9
171.04401	0.9
171.08028	2.4
171.11710	0.8
172.08798	2.3
173.09555	0.4
175.03931	4.0
179.08568	1.4
181.10106	1.4
183.08005	0.9
184.08804	0.7
185.06007	1.5
185.09605	13.3
187.03902	0.5
189.05476	0.5
189.09097	0.5
194.10921	1.2
195.08038	2.9
195.11476	0.6
197.05966	1.1
197.09615	1.2
198.06714	2.1
198.10390	0.6
199.07579	0.7
199.11191	1.3
201.05498	0.5
204.93991	0.3
208.08810	0.8
209.09615	3.1
209.13312	0.7
211.07518	1.1
211.11237	0.4
212.08360	4.1
212.11862	0.9
213.05611	1.3
213.09100	47.6
214.09442	0.6
222.10439	1.6
225.09084	3.5
226.09837	0.7
227.10667	17.7
227.14082	3.4
228.11021	0.5
229.08688	0.5
237.12724	8.9
239.06975	0.8
239.10663	1.1
240.07838	1.6
240.11443	5.4
241.08569	1.1
241.12120	0.8
243.10207	0.8
245.11679	0.7
251.14339	2.1
253.12212	1.0
255.10175	44.9
255.13780	71.2
256.10477	0.9
256.14069	1.8
267.10199	0.7
268.83487	0.5
269.15375	3.7
279.13739	1.6
297.14841	100.0
298.15161	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	297.1486
Annotation	5-Deoxyprotobruceol I regioisomer
Peak:m/z	Relative Intensity
50.25293	0.2
54.27925	0.1
55.05500	0.4
57.07074	0.3
61.64261	0.2
64.31882	0.1
65.03948	0.6
67.05511	2.0
69.07066	0.5
70.05846	0.3
70.06240	0.4
70.06599	0.3
77.03960	0.2
79.05495	0.8
79.70863	0.2
81.07062	3.7
91.05482	9.9
93.07030	1.2
95.04988	0.4
95.07999	0.2
95.08611	3.3
103.05474	0.6
104.26662	0.2
105.03401	1.3
105.07040	0.9
107.04956	0.2
107.08604	1.2
109.10159	7.3
115.05412	0.3
117.07043	0.3
119.04948	4.7
119.08588	0.4
121.02845	0.2
121.06506	0.2
121.10145	3.9
122.10966	0.3
123.11710	10.7
128.06284	0.2
131.04884	0.4
131.08543	0.2
133.06512	0.7
133.10172	0.3
135.04396	0.2
135.11703	1.3
143.08618	0.1
145.06389	0.4
145.10162	0.2
147.04414	20.2
148.04716	0.3
151.04004	0.2
155.08545	0.2
159.04437	0.2
163.03922	0.7
171.04587	0.2
173.06061	0.3
175.03911	100.0
176.04251	1.4
176.07111	0.2
177.01830	0.6
177.05463	1.0
187.04088	0.3
189.05473	4.4
199.03934	0.4
201.05510	1.1
203.07045	2.0
213.05515	0.9
213.09074	0.2
215.07091	0.4
216.06624	0.4
217.08591	1.3
222.06728	0.3
222.36382	0.1
223.07619	0.2
227.07077	0.4
229.08530	0.3
237.09035	0.2
237.12738	0.2
241.08600	2.3
255.10118	1.9
255.13837	0.4
265.08502	0.2
297.07718	0.5
297.11780	0.6
297.14850	16.5
298.15070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1484
Annotation	7,8-Dihydroxy-2,2-dimethyl-5-(2-phenylethyl)chromene
Peak:m/z	Relative Intensity
54.19052	0.7
55.05501	1.8
65.03894	0.8
67.05494	1.8
69.07074	5.8
70.06351	1.9
79.05489	2.2
81.07023	1.4
81.50214	0.8
91.05485	13.6
93.07047	11.9
95.04989	2.1
98.20885	1.1
105.03397	0.8
105.07043	2.0
107.04956	15.7
107.08596	9.4
119.04942	9.7
121.10186	1.1
123.11761	1.0
131.04926	1.8
135.04402	1.6
135.11702	4.4
147.04405	1.8
157.06425	0.9
159.04398	2.6
163.03912	100.0
164.04294	1.0
173.06024	0.9
175.03932	5.4
176.04211	1.2
177.01865	1.8
177.05627	0.9
185.06018	1.1
187.03864	7.4
189.05411	1.9
199.03929	2.2
199.07576	1.7
201.05557	1.8
213.05469	3.3
213.09113	1.0
215.07031	1.6
227.07095	2.6
229.08664	3.4
241.08559	1.4
255.10208	1.5
255.13773	2.6
297.07562	1.1
297.14783	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	297.1484
Annotation	Karnatakafuran B
Peak:m/z	Relative Intensity
53.03952	1.4
55.01873	5.1
55.05507	1.7
58.36644	0.8
67.05508	7.2
69.07076	1.4
70.24430	1.0
70.24776	2.4
70.30946	0.8
77.03944	0.8
79.05499	6.0
81.07050	2.8
83.08630	3.4
87.46340	0.6
91.05467	4.4
93.07035	4.3
95.04961	1.9
95.08592	5.1
103.05419	1.6
105.07033	7.5
107.04954	2.7
107.08588	5.0
109.10152	13.9
118.92914	0.8
119.04933	1.1
119.08607	2.0
121.06472	1.0
121.10145	26.4
122.79529	0.6
123.08125	0.9
133.06522	1.7
133.10114	6.0
135.04414	100.0
143.08545	1.0
145.06543	1.2
147.04362	1.5
149.05981	24.6
150.14606	0.7
152.06169	1.0
159.04442	4.5
161.05966	4.4
163.07562	2.2
166.07672	0.9
167.08580	1.6
171.08067	1.3
173.06004	3.2
175.03957	0.9
175.07545	1.5
177.05470	69.2
179.08414	0.8
185.05833	1.1
185.09563	1.1
187.07542	3.0
191.07043	3.7
194.10838	1.5
195.08037	1.2
198.06763	0.8
199.07521	6.9
201.05447	7.2
203.07027	2.5
211.07498	0.8
212.08250	1.1
213.09103	18.0
213.12425	1.2
215.07082	5.1
222.10384	1.6
225.09135	2.1
227.10664	7.3
229.08588	3.8
235.73738	0.8
237.12712	1.6
240.11363	1.7
241.08653	5.6
255.10324	4.4
255.13812	43.3
269.15421	1.4
297.14850	65.7
298.15228	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	297.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
57.07067	0.4
65.03942	0.7
66.64889	0.2
67.05509	3.2
69.07069	0.9
69.99459	0.9
71.04994	0.2
79.05511	1.1
81.07062	4.9
83.08637	0.3
91.05486	11.0
93.07032	1.5
95.04936	0.3
95.08615	4.5
103.05497	0.7
105.03372	1.1
105.07029	1.0
107.08583	1.1
109.10161	10.0
110.40833	0.3
111.08043	0.3
111.17004	0.2
114.73598	0.2
115.05450	0.3
117.06969	0.3
119.04948	5.6
119.08562	0.3
120.96466	0.3
121.02915	0.5
121.10153	1.9
123.11713	9.0
128.06184	0.3
129.07091	0.2
131.08595	0.2
133.06490	0.4
135.11702	1.3
141.13469	0.3
143.08536	0.3
145.06409	0.5
147.04417	20.8
148.04767	0.3
155.08643	0.2
159.04465	0.5
173.06027	0.3
175.03915	100.0
176.04251	1.8
177.01854	1.1
177.05484	0.9
189.05466	5.0
199.03865	0.6
201.05504	1.2
203.07028	1.5
213.05508	0.7
213.09145	0.4
213.41508	0.2
215.07051	0.5
216.06615	0.6
217.08592	1.0
227.07120	0.5
227.10715	0.4
229.08656	0.3
241.08592	2.4
255.10138	1.7
255.13919	0.4
297.07544	0.7
297.11499	0.4
297.14853	8.9
297.18024	0.4
297.21942	0.5
298.14816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1482
Annotation	5-Deoxyprotobruceol I regioisomer
Peak:m/z	Relative Intensity
55.01859	0.6
55.05272	0.5
55.05511	6.7
57.07056	0.7
65.03933	0.6
67.05501	2.8
67.98996	0.4
69.06727	0.6
69.07066	8.2
69.40143	1.8
69.40567	1.7
71.87881	0.3
79.05477	1.1
81.03378	0.4
81.07050	4.8
83.08611	3.4
87.33237	0.4
91.05478	10.7
93.07027	1.6
95.08601	4.2
97.10165	4.0
98.21536	0.6
103.05460	0.8
105.03378	1.3
105.07024	1.3
107.08566	1.8
108.31984	0.4
109.10159	7.7
111.11700	0.9
115.05441	2.5
117.06981	1.2
119.04934	4.6
121.02906	0.5
121.10136	3.9
123.11697	12.8
128.06197	3.7
129.07002	8.8
131.04918	3.5
131.08519	0.4
132.83034	0.4
133.06453	1.1
135.11659	2.0
139.24559	0.4
141.06982	3.0
142.07841	0.5
143.04964	0.6
143.08546	1.3
145.06442	1.7
147.04399	20.2
153.06958	0.4
157.06476	8.2
159.04420	5.5
163.03874	1.0
167.08563	1.0
169.06462	0.7
171.04404	6.1
171.08015	1.8
173.05966	3.0
175.03900	100.0
176.04260	1.9
177.05516	0.8
177.24188	0.4
183.08113	0.5
185.05954	8.5
185.09604	0.9
187.03920	10.0
187.07495	0.9
189.03752	0.5
189.05460	10.2
195.08081	2.4
199.03897	30.0
199.07539	3.2
200.04237	0.8
201.05460	10.2
203.07025	3.4
211.07495	0.4
212.04758	0.4
213.05453	62.5
213.08990	1.9
214.05991	1.6
215.07008	7.6
216.06584	0.7
217.08563	1.3
221.02097	0.4
223.07544	2.0
226.06192	0.8
227.07014	13.1
229.08560	5.7
239.06998	1.4
241.08575	23.2
242.09059	0.5
253.08591	1.2
254.09348	1.7
255.10139	5.9
267.10165	5.5
281.11752	0.5
282.12463	1.6
297.14841	82.5
298.15097	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1484
Annotation	Acerogenin E
Peak:m/z	Relative Intensity
51.88337	0.3
54.06821	0.3
55.01870	0.7
55.05507	0.6
65.03923	0.3
67.05491	1.0
69.03415	1.3
69.07063	0.7
70.06485	1.3
71.05009	0.5
72.08141	1.1
79.05493	1.0
81.03405	0.9
81.07054	1.2
83.05048	0.3
84.08101	0.4
85.02905	0.6
91.05485	1.1
93.07057	1.5
95.04951	0.4
95.08582	0.8
97.02889	0.7
97.06535	0.6
98.20855	0.4
98.83671	0.3
99.04504	0.4
103.05495	0.3
105.03394	0.7
105.07004	1.4
107.04925	0.9
107.08575	1.7
109.02858	0.6
109.06467	0.3
109.10145	0.9
111.04458	0.4
115.05466	0.6
117.06982	0.4
119.04940	0.6
119.08580	0.9
120.08076	0.3
121.06480	0.5
121.10120	0.9
123.04425	0.3
123.08033	0.5
128.06203	0.7
129.06981	1.0
131.04901	0.4
131.08533	0.3
133.10085	0.8
135.04437	2.0
135.08025	0.7
135.11676	0.3
141.07047	0.7
142.07770	2.7
143.08588	1.5
145.06465	0.6
145.10133	0.5
147.04410	0.8
147.08081	0.3
147.11674	0.4
149.05968	0.6
153.05490	0.5
153.06955	0.4
155.08495	0.7
156.09363	0.6
157.06477	1.0
157.10123	5.0
159.04391	1.1
159.08025	0.4
165.06966	0.7
166.07555	0.3
167.08492	1.6
168.09320	0.6
169.06508	0.6
169.10132	0.6
170.07246	0.8
171.08000	2.3
171.11671	0.5
172.08829	2.7
173.09616	0.6
177.01810	1.0
177.05417	0.8
179.08530	1.2
181.10110	1.5
183.07997	0.6
184.08809	0.9
185.06010	0.9
185.09618	14.0
186.09981	0.3
189.09180	0.6
194.07266	0.6
194.10909	0.6
195.08043	3.2
196.08849	0.4
197.05975	0.8
197.09598	1.0
198.06776	1.8
198.10345	0.4
199.07527	0.8
199.11211	1.8
201.05441	0.3
201.09164	1.3
207.08109	0.4
208.08806	0.9
209.09613	4.2
209.13228	0.6
211.07466	0.9
211.11143	0.7
212.08302	3.4
212.11942	1.3
213.09099	43.9
214.09413	0.4
215.10672	0.4
219.08134	0.4
221.09685	0.4
222.10446	2.1
223.14786	0.4
225.09135	3.7
225.12833	0.5
226.09909	0.7
227.10666	18.9
227.14081	3.4
231.10249	0.5
236.12019	0.4
237.09116	0.6
237.12738	9.6
239.06998	1.0
239.10603	1.3
240.07852	1.1
240.11450	5.9
241.12175	0.8
243.10191	0.6
245.11685	1.2
251.14336	3.3
253.12257	1.0
254.13077	0.6
255.10161	42.7
255.13770	77.3
256.10391	0.5
256.14145	1.7
265.08466	0.5
267.10056	0.3
269.15350	8.3
279.13696	1.8
281.11658	0.4
297.14835	100.0
298.15176	1.9
299.06067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1483
Annotation	Karnatakafuran B
Peak:m/z	Relative Intensity
50.26454	0.4
52.03397	0.4
52.37230	0.4
53.03952	0.4
55.01872	2.9
55.05500	1.3
62.38543	0.4
65.03944	0.6
67.05499	2.3
69.03421	1.1
69.07047	1.3
69.33671	3.8
69.41577	0.4
70.06592	1.0
71.04961	0.5
72.08167	1.0
75.89326	0.4
79.05479	1.8
81.03403	0.5
81.07047	1.3
84.08109	0.8
85.02889	0.8
86.09714	1.2
91.05482	1.6
93.07043	2.2
95.04961	1.4
95.08630	2.0
99.04427	0.6
100.66834	0.4
105.03403	3.1
105.07028	1.4
107.04935	1.7
107.08582	2.5
109.06474	0.5
109.10136	2.6
112.46976	0.4
115.05453	0.5
117.07040	0.7
119.04946	1.3
119.08578	1.1
120.08079	1.2
121.06462	0.6
121.08448	0.6
121.10148	1.7
123.04446	0.5
127.03902	0.5
128.06181	0.6
129.06955	1.4
131.08559	0.5
133.06462	1.1
133.10118	1.4
135.04401	4.7
135.08026	0.9
136.03983	0.9
136.06157	0.5
141.06917	0.6
142.07790	2.5
143.08508	2.0
145.06499	0.6
145.10139	0.6
147.04327	0.6
147.08025	0.6
149.06000	2.0
155.08545	1.3
157.06447	0.7
157.10115	3.8
159.04419	2.3
159.07974	0.5
159.13223	0.5
161.05994	1.2
165.06987	0.6
165.42545	0.4
166.07701	0.7
167.08553	1.4
169.10065	0.7
170.07303	0.7
171.08040	1.8
171.11679	0.7
172.08829	1.7
173.05988	1.3
173.09604	1.0
175.07565	0.7
177.01865	0.6
177.05511	2.8
179.08589	1.6
181.10086	2.0
183.08041	1.3
183.11661	0.5
184.08820	0.8
185.06029	1.0
185.09621	9.0
187.07574	1.2
189.09105	0.5
194.07207	0.5
194.10892	1.3
195.07996	2.6
197.09557	1.3
198.06789	1.3
198.10353	0.5
199.07565	3.7
199.11183	1.3
201.05518	1.4
201.09105	2.8
203.07031	1.0
208.08728	0.9
209.09656	3.3
209.13313	0.7
211.07542	1.3
212.08316	3.1
212.11942	1.1
213.09108	34.8
214.09573	0.8
215.07053	1.3
222.10480	2.3
223.14818	0.5
225.09085	3.6
226.09845	1.0
227.07234	0.7
227.10657	17.5
227.14171	4.5
229.08594	1.2
237.12758	7.5
238.13516	0.5
239.07057	1.5
239.10690	1.4
240.07796	2.8
240.11475	4.2
241.08499	2.7
241.12280	1.1
242.09369	0.7
243.10139	0.8
245.11790	0.6
251.14294	2.6
253.08603	0.8
253.12277	0.7
254.13007	0.6
255.10190	33.4
255.13794	88.7
256.14197	1.9
269.15338	6.9
279.13840	1.2
280.04553	0.4
297.14844	100.0
298.15085	2.4
299.06201	0.5
304.33368	0.4
313.54437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1486
Annotation	Acerogenin E
Peak:m/z	Relative Intensity
53.03931	0.5
55.05492	0.9
57.07059	1.0
67.05505	2.8
68.99774	0.8
69.03391	1.1
69.07056	1.7
70.06576	0.5
71.04970	0.8
71.08625	0.6
71.53423	0.6
72.08139	0.7
79.05472	2.1
81.03406	0.9
81.07054	3.2
83.04955	0.8
83.29282	0.4
91.05457	2.7
93.07034	2.0
95.04955	0.8
95.08595	2.7
97.10155	0.4
105.03383	3.4
105.07011	1.9
107.08572	1.2
107.51334	0.5
109.06504	0.8
109.10146	1.9
115.05380	0.4
117.07027	0.9
119.04934	1.6
119.08582	1.4
121.02858	1.4
121.06477	0.6
121.10133	1.7
123.11707	1.0
128.06194	1.0
129.06993	1.8
131.04970	0.4
133.10132	1.2
135.04401	1.4
135.08040	0.7
136.06171	0.6
141.06993	0.8
142.07733	2.6
143.08566	1.4
145.06461	0.7
145.10110	1.1
147.04417	2.2
147.08063	0.5
149.02502	0.5
149.05940	1.0
155.08513	1.6
156.09286	0.8
157.06479	1.2
157.10139	4.8
159.04439	1.0
159.08014	1.6
159.11684	0.5
163.03873	1.1
165.07004	1.4
167.08533	2.2
169.06488	0.5
169.10176	1.3
170.07240	0.9
170.10840	0.7
171.08054	2.7
171.11719	1.0
172.08832	4.0
173.05974	0.8
173.09641	0.8
175.03886	6.0
177.01801	1.1
177.05434	1.2
179.08565	2.1
181.10107	1.7
183.07991	0.8
183.11705	0.6
184.08832	1.4
185.06000	0.5
185.09593	13.9
189.09137	1.1
194.10851	1.7
195.08043	2.8
195.11670	0.6
197.05963	1.2
197.09644	1.9
198.06801	2.5
198.10399	0.6
199.07513	0.9
199.11060	1.1
201.05501	1.2
201.09059	0.6
208.08778	0.8
209.09662	2.0
209.13208	1.3
211.07562	1.7
212.08319	7.0
212.11885	1.3
213.09091	23.2
213.12367	0.7
214.06242	0.5
214.09514	1.0
215.06966	0.7
222.10394	4.5
225.09097	6.2
226.09962	0.8
227.10681	9.6
227.14194	3.4
227.17963	0.5
229.08624	0.7
231.10095	0.8
237.12738	18.2
239.10675	1.5
240.07739	1.0
240.11432	8.6
243.09911	0.6
245.11783	0.7
251.14305	1.9
253.12285	2.0
255.10191	22.0
255.13792	100.0
256.14093	2.1
269.15359	4.7
279.13785	1.2
297.03851	1.2
297.07629	1.5
297.14844	50.2
297.22147	1.1
297.25659	1.0
298.06992	1.0
298.15152	0.6
315.04950	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1483
Annotation	Acerogenin E
Peak:m/z	Relative Intensity
51.05356	0.2
53.03931	0.6
55.01870	1.3
55.05515	2.4
61.06966	0.2
67.05497	1.9
69.03428	7.7
69.07065	9.3
69.64413	0.6
69.64827	1.3
71.04961	0.8
72.71009	0.2
79.05500	1.3
81.03407	1.7
81.07051	1.6
82.07378	0.2
83.04945	0.4
83.08589	1.0
85.02884	0.9
85.06510	0.6
90.29936	0.2
91.05473	1.8
93.07043	2.8
95.04958	1.4
95.08581	0.9
97.06485	0.7
99.04465	0.4
105.03353	0.7
105.07034	1.5
107.04934	0.7
107.08604	1.8
109.02838	0.4
109.06485	1.0
109.10115	1.1
111.04439	0.4
111.08076	8.5
111.11687	0.9
115.05424	0.4
117.06964	0.7
119.04918	0.9
119.08581	1.4
121.06472	0.7
121.10147	1.2
123.04462	0.3
123.11691	1.0
124.85558	0.3
127.03831	0.4
127.94677	0.2
128.06184	0.7
129.06972	1.2
131.08542	0.5
133.06421	0.4
133.10094	1.0
135.04384	1.0
135.08028	0.6
135.11681	0.3
137.05969	0.6
139.07541	4.0
139.11150	1.0
141.07007	0.7
141.12683	0.3
142.07767	2.8
143.08545	2.2
145.06442	0.7
145.10120	0.6
146.06015	0.4
147.04382	1.3
149.09550	0.4
151.11121	0.8
152.06241	0.4
155.08549	1.3
156.09325	0.8
157.06464	1.5
157.10129	5.0
159.04410	0.8
159.08025	1.0
161.09593	0.4
165.06923	0.7
166.07736	0.7
167.08568	1.7
168.09369	0.4
169.06462	0.6
169.10065	0.8
169.12189	1.4
170.07202	0.5
170.10947	0.3
171.04372	0.6
171.08054	2.8
171.11668	0.8
172.08842	3.5
173.05927	0.3
173.09540	0.4
175.03897	2.1
175.11143	0.3
177.01871	1.6
177.05426	1.0
179.08514	1.8
179.10611	0.9
181.06482	0.5
181.10114	1.2
183.08023	0.7
183.11708	0.4
184.05157	0.4
184.08781	0.9
185.05981	0.7
185.09608	14.0
187.07591	0.3
189.07301	0.2
189.09045	0.6
194.07256	0.4
194.10927	1.3
195.08075	2.9
195.11557	0.5
197.05937	1.1
197.09645	1.8
198.06770	2.1
198.10330	0.7
199.07484	1.3
199.11128	1.2
199.14737	0.5
201.09096	0.8
207.08199	0.4
208.08722	0.5
209.09636	2.9
209.13202	0.5
211.07574	1.2
211.11165	0.6
212.08316	5.8
212.11729	1.2
212.61909	0.3
213.09099	30.5
213.12479	1.0
214.06198	0.5
214.09465	0.6
215.10667	0.3
219.11682	0.3
219.13782	0.8
222.10391	3.8
223.11188	0.5
225.09099	6.5
225.12631	0.3
226.09766	1.0
227.10675	12.4
227.14154	3.7
229.08665	0.4
231.10167	0.5
237.12740	15.0
237.14832	0.7
238.13142	0.5
239.06975	0.5
239.10660	1.8
240.07671	1.0
240.11444	8.6
241.08459	0.6
241.12148	0.5
243.10091	0.9
245.11674	0.5
251.14293	2.2
253.12140	1.5
254.12921	0.4
255.10135	25.0
255.13739	100.0
256.10229	0.5
256.11533	0.3
256.14096	2.4
267.10303	0.3
269.15372	4.8
279.13553	1.6
282.12137	0.4
297.07593	1.7
297.14774	63.2
298.15146	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
51.55646	0.4
53.03949	2.7
55.01873	0.9
55.05507	1.2
56.05038	0.5
57.03425	0.8
57.07072	0.8
58.76619	0.5
67.05500	2.0
69.03434	0.7
69.07063	1.9
70.06594	4.3
70.64159	1.5
71.04979	0.5
72.08147	0.7
77.03902	0.7
79.05482	2.0
81.03425	1.5
81.07050	2.9
83.04981	0.6
83.08634	0.4
85.02921	0.9
85.06522	0.8
91.05450	2.5
93.07049	2.1
93.91750	0.5
95.04968	4.5
95.08596	2.8
96.08009	0.5
97.02867	0.7
97.06549	0.6
99.04456	0.7
103.05466	0.6
105.03391	73.5
105.07025	1.6
106.03732	1.1
107.04967	2.6
107.08591	2.7
109.02914	0.9
109.06562	0.5
109.10164	1.8
110.22465	0.4
115.05452	1.5
117.07043	0.5
119.04943	2.1
119.08563	1.1
121.02879	2.0
121.10157	1.3
123.04460	0.9
123.11681	0.5
125.09622	0.9
127.03914	1.0
128.04990	1.3
128.06270	0.5
130.06525	37.4
131.08591	1.2
133.10153	1.1
134.05974	3.5
135.04419	1.2
135.08061	1.4
135.11703	0.7
136.06233	0.7
136.84344	0.5
145.10089	1.1
146.04845	1.0
146.06010	20.6
147.04410	5.2
147.06267	0.7
149.02243	0.6
149.05991	0.6
151.03880	0.8
153.05446	0.6
157.07623	7.7
158.06013	100.0
159.06360	2.3
160.07594	1.0
169.10115	0.7
175.03900	2.1
177.01842	11.1
183.52563	0.5
195.02904	0.7
207.06529	0.7
209.09544	0.6
239.07239	0.6
255.10136	0.7
255.13921	0.8
261.10220	1.2
265.08542	1.1
267.11560	0.5
279.11307	9.2
279.23138	0.7
297.07565	7.8
297.11368	3.2
297.14822	2.0
297.18396	1.1
298.07080	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1483
Annotation	5-Deoxyprotobruceol I regioisomer
Peak:m/z	Relative Intensity
50.06742	0.2
51.02398	0.2
53.03949	0.3
55.05506	0.5
57.07078	0.4
64.64774	0.1
65.03955	0.5
67.05508	2.0
67.10545	0.2
69.07081	0.5
69.44222	0.2
71.52399	0.2
72.08159	0.4
79.05490	1.0
79.32717	0.1
81.07063	4.0
83.08601	0.2
91.05483	10.2
93.07050	1.4
95.04985	0.4
95.08604	3.4
103.05463	0.5
105.03396	2.5
105.07052	0.9
107.08582	1.2
109.10157	7.4
115.05445	0.2
117.07022	0.3
119.04947	5.2
121.02916	0.2
121.10143	3.6
123.11713	10.4
133.06500	0.6
133.10045	0.2
135.11684	1.6
145.06560	0.2
147.04417	21.4
148.04735	0.3
149.05083	0.2
155.31354	0.2
159.04346	0.3
163.03911	0.4
173.06023	0.3
175.03911	100.0
176.04260	1.4
176.10709	0.7
177.02003	0.2
177.05585	1.2
187.03909	0.3
189.05473	5.2
197.05864	0.2
199.03926	0.4
201.05472	0.8
203.07066	1.8
213.05475	0.8
215.07063	0.5
216.06572	0.4
217.08589	1.2
227.07077	0.6
229.08551	0.3
241.08578	2.6
255.10196	1.9
297.07675	0.5
297.14847	15.3
298.15036	0.4
304.21860	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.7
53.03948	4.3
53.66896	0.3
55.01870	0.8
55.05497	1.0
57.03455	0.4
57.07074	0.4
59.50562	0.3
65.03929	0.4
67.05505	1.8
69.03420	0.5
69.07064	1.8
69.30529	3.3
71.04984	0.3
72.08142	0.4
77.03920	1.1
79.05494	2.2
81.03423	0.8
81.07056	2.5
83.08614	0.5
84.08147	0.4
85.02893	0.4
85.06510	0.3
91.05489	1.1
93.07039	2.2
95.04966	9.3
95.08620	2.1
98.20795	0.7
103.05485	0.6
105.03393	100.0
105.04538	3.0
105.07001	1.8
106.03725	1.4
107.04967	1.0
107.08590	1.6
109.06509	0.6
109.10160	1.5
117.07038	0.5
118.06519	0.7
119.04948	0.4
119.08585	1.0
120.04446	0.4
120.08134	0.5
121.02853	0.4
121.06480	0.5
121.10150	1.2
122.06029	3.9
123.04488	0.4
123.11696	0.7
129.07022	0.5
130.06522	9.3
131.04956	0.4
131.07321	1.2
131.08476	0.6
133.02888	0.8
133.05240	0.8
133.06490	0.4
133.10118	1.0
134.06018	23.7
134.50400	0.4
135.04393	2.2
135.06810	5.0
135.07892	0.7
136.06226	0.5
139.11121	0.4
143.07314	3.2
143.08348	0.5
144.04446	6.8
145.06421	0.6
145.10126	0.9
146.06018	8.0
146.07115	0.7
147.04404	1.6
147.05519	0.9
147.11681	0.6
148.07549	1.7
149.05989	0.5
151.03893	1.1
157.10112	0.6
158.06020	5.7
159.06796	26.6
159.11688	0.5
165.06950	0.3
166.07802	0.3
167.05760	0.5
167.08488	0.4
171.11583	0.4
175.03889	2.3
175.08708	2.8
176.04225	0.4
176.10695	0.7
177.01842	1.7
177.05521	0.5
179.08649	0.4
183.11696	0.7
185.09666	0.3
187.07576	0.4
194.07274	0.6
207.06470	0.3
211.07468	0.4
212.05557	0.3
213.09149	0.7
221.06071	0.4
237.09113	1.1
251.18140	0.4
252.08998	0.9
255.10089	0.5
255.13815	1.3
263.11801	2.4
265.08640	1.1
280.11990	3.3
297.07608	2.4
297.11832	3.6
297.15045	2.9
297.18887	0.5
297.22241	1.3
299.06299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15549	2.7
53.27153	3.1
54.81124	2.9
56.96565	20.2
60.08159	3.9
61.08488	3.4
69.03419	5.0
71.01367	4.9
71.07376	4.5
71.43352	6.2
73.02927	3.9
84.96022	7.4
85.02892	8.3
86.09698	24.8
87.10041	20.2
95.55553	3.4
97.02885	6.5
98.97581	88.9
104.10750	93.9
105.10461	5.1
105.11076	100.0
110.97543	12.4
116.98621	41.9
119.01853	6.9
128.12369	3.3
128.98581	19.9
134.99643	13.6
143.00136	8.7
146.99609	8.3
158.01210	3.1
158.99675	19.1
161.01250	9.8
162.97017	3.3
168.98384	4.2
170.03358	3.9
170.99709	5.5
173.97572	3.4
177.00749	25.0
182.98193	5.5
188.98106	4.1
189.00708	12.9
190.24368	4.2
194.98206	5.9
195.01823	3.4
197.98804	3.4
203.98624	8.2
206.04308	3.2
206.54451	4.4
206.98204	7.7
207.01749	8.6
209.98633	10.2
215.54970	3.6
215.98715	7.1
216.05649	3.7
218.99467	2.8
219.01801	14.5
224.99217	7.7
233.99557	5.8
236.99263	22.4
237.02849	22.9
237.99617	40.5
238.99287	5.3
239.04077	3.5
255.00060	6.2
255.04002	26.7
273.05133	6.2
279.03888	30.8
292.98877	5.1
297.04840	62.1
297.07272	31.8
298.06323	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	297.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15549	2.7
53.27153	3.1
54.81124	2.9
56.96565	20.2
60.08159	3.9
61.08488	3.4
69.03419	5.0
71.01367	4.9
71.07376	4.5
71.43352	6.2
73.02927	3.9
84.96022	7.4
85.02892	8.3
86.09698	24.8
87.10041	20.2
95.55553	3.4
97.02885	6.5
98.97581	88.9
104.10750	93.9
105.10461	5.1
105.11076	100.0
110.97543	12.4
116.98621	41.9
119.01853	6.9
128.12369	3.3
128.98581	19.9
134.99643	13.6
143.00136	8.7
146.99609	8.3
158.01210	3.1
158.99675	19.1
161.01250	9.8
162.97017	3.3
168.98384	4.2
170.03358	3.9
170.99709	5.5
173.97572	3.4
177.00749	25.0
182.98193	5.5
188.98106	4.1
189.00708	12.9
190.24368	4.2
194.98206	5.9
195.01823	3.4
197.98804	3.4
203.98624	8.2
206.04308	3.2
206.54451	4.4
206.98204	7.7
207.01749	8.6
209.98633	10.2
215.54970	3.6
215.98715	7.1
216.05649	3.7
218.99467	2.8
219.01801	14.5
224.99217	7.7
233.99557	5.8
236.99263	22.4
237.02849	22.9
237.99617	40.5
238.99287	5.3
239.04077	3.5
255.00060	6.2
255.04002	26.7
273.05133	6.2
279.03888	30.8
292.98877	5.1
297.04840	62.1
297.07272	31.8
298.06323	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	296.2221
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
51.98228	0.4
55.01881	0.4
55.05502	1.6
56.05034	0.6
57.07077	9.0
67.05505	4.0
68.05012	0.5
69.03416	0.5
69.07075	2.3
69.18626	0.3
69.18920	4.0
70.06592	11.4
71.04972	0.4
71.08631	9.1
79.05500	2.3
80.04992	0.9
81.07059	6.1
82.06556	0.5
83.08616	1.0
85.10177	5.4
91.05472	1.3
93.07037	1.5
94.06573	0.7
95.04952	0.6
95.08600	6.4
96.08134	9.1
98.06086	0.8
100.73119	0.4
105.07015	0.8
106.06577	4.2
106.07264	0.7
107.08569	0.7
109.10177	0.8
114.05547	0.5
114.09160	3.4
119.08558	0.6
120.08081	1.2
121.10153	0.8
124.07590	3.2
132.15813	0.4
135.11742	0.5
142.08635	39.5
145.10158	0.4
147.04375	0.6
148.04842	0.6
155.14304	0.9
171.98402	0.4
175.03857	2.7
176.04259	2.2
180.10252	0.5
216.33411	0.5
232.20671	2.7
238.08549	0.9
250.21661	27.1
251.22006	0.4
265.12286	0.8
266.08170	0.5
278.21521	1.3
296.13577	2.5
296.22202	100.0
297.22519	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	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.05516	48.5
57.03420	9.4
59.04992	4.3
67.05506	89.7
68.44655	3.8
69.07074	26.5
70.78196	11.2
71.04972	5.7
71.08640	43.2
71.66195	4.3
71.99557	4.2
75.28605	4.2
79.05502	58.6
80.05870	4.5
81.03406	6.5
81.07064	75.7
83.04974	17.1
83.08649	24.4
85.06021	4.7
85.06510	7.4
91.05483	32.3
93.07051	77.4
95.04950	13.7
95.08605	52.7
97.06549	11.2
97.10158	16.8
99.08096	36.0
105.07047	28.4
107.04942	10.8
107.08603	54.1
108.80473	4.1
109.10159	53.0
111.08093	6.0
119.08568	15.5
121.10149	44.0
123.11699	4.4
125.09631	19.7
129.06999	5.9
131.08551	4.1
133.10106	18.5
135.11710	46.2
145.10056	5.1
147.04405	8.6
147.11700	9.2
149.13211	15.1
151.11205	12.9
157.10143	6.0
161.13260	13.7
163.11266	7.5
173.11722	5.9
175.03912	29.0
175.49431	4.6
179.14325	100.0
189.11201	11.4
189.12753	4.6
199.14949	4.8
221.15273	5.8
235.17032	6.6
245.45082	4.7
259.20529	8.8
277.21613	55.0
279.44620	5.0
295.13269	12.1
295.22723	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	295.2269
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
50.08765	0.7
50.28208	0.8
53.03942	2.9
55.01878	9.1
55.05513	22.2
57.03438	2.4
57.07077	6.4
63.06001	1.0
65.03951	2.1
67.05506	32.9
69.03428	3.7
69.07069	18.5
70.74802	1.6
70.75127	1.1
71.04977	2.2
71.08630	10.3
79.05497	20.8
81.03424	9.1
81.07062	29.9
83.04985	8.9
83.08627	13.6
85.06541	2.4
85.10182	1.6
91.05486	28.8
93.07047	23.6
95.01323	1.4
95.04966	11.2
95.08614	21.1
97.06532	5.8
97.10169	8.2
99.08100	8.5
103.05466	1.2
105.03365	1.2
105.07036	15.9
107.04964	1.9
107.08601	16.8
109.06535	4.8
109.10153	12.0
111.08086	8.5
111.11726	1.0
113.09663	1.0
115.05447	1.6
117.07040	3.5
117.58890	0.8
119.04941	6.5
119.08574	10.1
121.06508	1.8
121.09330	1.5
121.10152	19.8
123.08080	3.0
123.11731	2.5
125.09628	4.4
127.07584	0.8
128.06189	2.3
129.06981	2.8
131.04935	3.5
131.08568	4.7
133.06497	2.9
133.10132	10.2
135.08070	2.1
135.11687	6.7
137.09598	1.8
137.13286	1.1
139.11217	2.1
141.07043	2.1
141.09137	0.8
142.07813	1.9
143.08556	4.1
145.10144	3.5
147.04416	25.1
147.11685	6.7
148.04816	1.0
149.09595	1.5
149.13271	5.9
151.11191	7.5
153.07066	1.0
153.12775	1.3
154.07738	1.2
155.08583	4.1
156.09254	1.3
157.10126	6.0
159.04404	1.9
159.11725	2.8
161.05916	1.6
161.09639	1.0
161.13255	5.2
161.87448	0.9
163.11275	1.4
163.14835	1.0
164.17647	0.8
165.06934	5.2
165.12752	3.6
166.07811	3.0
167.08591	5.8
168.09338	2.5
169.10187	4.1
171.08070	1.8
171.11703	1.9
173.06023	1.6
173.13216	2.0
175.03920	100.0
175.11177	1.2
175.14848	2.1
176.04242	3.4
177.12779	1.7
178.07863	2.0
178.24579	0.9
179.08591	8.4
179.14351	3.1
180.09274	2.7
181.06520	1.6
181.10138	7.3
182.07275	1.2
183.08089	2.4
183.11725	2.5
185.09657	1.4
185.13284	1.1
189.05450	6.7
189.11232	3.1
189.12740	1.0
189.16409	0.9
190.07877	1.2
191.08556	2.0
192.09277	6.6
193.10161	7.5
193.11847	1.0
194.07098	0.9
194.10834	2.7
195.08069	3.9
195.11716	8.9
196.08621	1.1
197.05919	0.9
197.09657	3.9
197.13248	1.6
199.03928	2.8
199.11220	2.4
199.14925	1.5
201.05498	2.0
202.07906	0.9
203.07063	2.3
205.06540	1.5
205.10172	2.4
206.07480	1.0
206.10960	2.6
207.08060	3.3
207.11702	12.6
207.13680	1.1
208.08852	2.1
208.12286	1.6
209.09608	8.7
209.11208	1.0
209.11606	1.0
209.13210	6.1
210.10402	1.8
210.13979	4.5
211.07474	1.5
211.11211	2.4
213.05530	2.9
216.06802	0.9
217.10254	1.9
217.17798	1.0
219.08083	1.7
219.11732	2.9
220.08812	3.3
220.12442	1.8
221.09592	3.6
221.13342	2.1
221.15454	2.1
223.07632	0.9
223.11197	1.8
223.14807	1.0
224.08334	1.1
225.09071	2.3
225.12721	5.7
226.06317	2.8
227.07104	2.8
227.14317	2.8
231.20923	1.2
233.09601	2.6
233.13156	1.4
234.10361	2.9
234.14140	1.3
235.07541	2.6
235.11195	9.8
235.14890	2.1
235.17047	1.0
237.09128	1.5
237.12672	1.1
239.07037	2.8
239.10724	3.8
241.08578	3.6
241.19545	2.4
247.11259	1.2
248.12062	1.0
249.09059	0.9
249.12901	2.3
249.16428	5.5
249.22192	1.4
251.10692	3.0
251.14352	2.5
253.08670	7.4
253.12245	8.3
254.11734	1.7
259.14725	1.1
259.20602	3.1
262.13739	1.1
265.12338	0.9
267.10220	3.1
267.13654	1.2
267.17499	3.3
277.12585	1.8
277.15872	5.3
277.21634	29.2
295.10480	1.3
295.13318	38.4
295.16946	40.1
295.22443	17.4
296.13367	3.1
296.16998	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	295.2268
Annotation	13(S)-HOT
Peak:m/z	Relative Intensity
55.05501	9.2
57.01521	1.8
57.03445	16.9
61.79549	1.6
62.96090	1.8
67.05507	30.8
69.07063	7.2
69.09332	1.7
71.04998	2.0
72.97520	1.8
79.05491	19.4
81.03423	2.2
81.07060	40.6
83.05013	2.0
83.08621	6.5
84.25637	2.0
85.06563	4.8
91.05479	22.8
93.07055	23.5
95.04969	1.7
95.08611	36.9
97.06564	2.3
97.10165	2.4
98.20753	5.5
105.07033	13.2
107.08580	17.2
109.06519	2.8
109.10163	12.2
115.37602	1.7
117.07024	4.0
119.04963	6.2
119.08578	7.8
121.10150	27.6
123.08096	5.2
123.11723	3.6
125.09647	2.9
131.08577	5.9
133.10135	11.0
135.11702	13.3
137.09615	3.1
145.10120	6.1
147.04414	22.0
147.11702	6.6
149.13255	6.9
159.11685	3.5
163.14781	3.8
173.13319	3.7
175.03918	100.0
175.14746	2.0
176.04294	2.5
185.13239	4.2
187.14862	8.5
189.05478	5.6
197.56137	1.9
201.05516	3.5
203.07121	3.2
205.15947	4.3
213.05492	2.7
221.19006	3.7
223.16937	4.6
239.06966	3.0
241.08556	2.8
241.19507	3.3
253.08487	7.1
259.20639	5.4
265.08453	2.6
267.10150	2.7
277.21600	23.2
295.13287	37.4
295.24124	5.4
296.13638	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	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03945	3.0
55.01870	13.6
55.05265	1.6
55.05513	17.6
57.03425	1.9
57.07079	5.2
65.03936	1.5
67.05506	29.9
69.03430	2.0
69.07070	16.2
69.23143	1.0
69.23452	10.6
70.06596	2.1
71.04993	1.6
71.08643	10.7
79.05494	17.7
81.03424	6.4
81.07058	27.3
83.04992	7.1
83.08626	9.8
83.87560	0.9
84.08157	1.2
85.06577	2.8
85.10201	5.0
86.09651	1.0
91.05486	23.1
93.07040	19.3
93.54490	1.0
94.82227	1.0
95.04989	9.6
95.08605	19.3
97.02922	0.9
97.06518	7.6
97.10169	4.5
99.08112	7.9
103.05491	2.3
105.03400	2.7
105.04553	0.9
105.06389	1.7
105.07043	15.9
107.04982	2.8
107.08591	15.8
109.02832	1.0
109.06535	4.4
109.10172	12.3
111.04460	1.5
111.08089	16.4
113.09621	6.5
115.05434	3.0
117.05772	1.2
117.07014	6.7
119.04913	4.9
119.08598	9.3
121.02868	17.3
121.06520	1.2
121.10143	14.9
121.10938	1.5
123.08060	3.1
123.11710	4.2
123.38866	1.0
125.09633	4.2
127.07536	1.1
129.07025	3.1
131.04968	1.2
131.08585	3.7
132.04454	1.1
132.08081	5.6
133.06494	1.1
133.10135	10.8
134.06000	1.0
135.08055	1.7
135.11662	7.6
137.09596	2.3
139.07573	1.0
139.11154	1.7
141.07066	0.9
143.07304	1.9
143.08568	3.7
144.08087	100.0
145.06505	1.6
145.08437	2.9
145.10159	3.9
146.06018	1.4
147.04414	10.9
147.11667	8.5
149.09631	3.6
149.13257	5.6
151.03937	1.3
151.11198	9.9
152.07071	2.9
153.12712	1.8
155.08553	2.2
157.10173	2.4
159.11725	1.9
161.13251	5.2
163.11188	4.7
163.14900	1.2
165.05388	1.1
165.12747	8.8
169.10114	2.2
171.11696	2.5
173.13246	2.3
175.03914	61.1
175.11040	2.1
175.12411	6.3
175.14751	1.8
176.04297	1.6
177.12704	1.6
179.08588	2.0
179.14320	4.5
181.10274	1.0
185.13303	2.9
189.05499	3.5
189.11168	1.3
193.04944	1.6
195.08289	1.0
199.03973	4.7
201.05481	3.0
203.14319	0.9
211.07515	1.3
213.05559	3.2
215.07100	2.8
225.09091	1.3
227.06969	2.7
231.21121	1.8
235.07632	1.5
239.07031	3.5
241.08568	1.7
241.19473	3.1
249.22136	1.2
250.08585	1.3
252.66464	1.2
253.08649	5.9
259.20630	4.3
265.11975	1.0
267.10233	3.5
267.75024	1.1
277.18503	1.6
277.21646	32.9
295.06357	3.1
295.09879	2.4
295.13300	27.9
295.16708	0.9
295.22693	16.3
296.13327	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1693
Annotation	MF-EA 705alpha
Peak:m/z	Relative Intensity
54.07045	0.6
55.01866	2.5
55.05514	9.0
56.67982	0.7
57.03440	0.9
57.07079	2.0
63.88196	0.7
65.03936	1.4
67.05505	14.5
69.03421	3.4
69.07069	5.8
69.59789	3.0
69.60199	1.7
71.04990	1.8
71.08622	2.3
73.53849	0.7
74.45579	0.6
79.05495	8.4
81.03428	7.9
81.07065	7.8
83.04989	5.8
83.08631	4.4
83.59995	0.8
85.06515	1.1
91.05486	14.7
93.07061	9.0
95.01350	4.6
95.04977	10.8
95.08627	7.9
97.06526	2.2
97.10178	2.5
98.21474	1.6
99.08091	2.5
103.05456	1.0
105.07037	9.5
107.08616	7.3
109.06521	1.5
109.10181	6.2
111.08112	0.7
115.05470	1.6
117.07037	2.8
119.04953	3.6
119.08575	4.9
121.06491	1.2
121.10159	8.3
122.59276	0.7
123.08054	2.1
123.11756	1.2
125.09624	2.2
128.06192	2.6
129.07024	4.2
130.07730	0.8
131.04936	6.0
131.08539	4.4
133.06499	2.9
133.10141	4.0
135.11710	2.7
137.05960	0.9
137.09619	0.9
139.11205	1.6
141.07024	2.8
142.07777	4.1
143.08580	7.2
145.06522	0.8
145.10133	4.1
147.04436	10.8
147.08099	1.2
147.11734	1.4
149.13264	1.5
151.11160	2.1
152.06215	1.8
153.06998	3.2
154.07790	2.1
154.51714	0.8
155.08566	8.3
156.09357	3.2
157.06453	1.1
157.10120	10.0
159.04506	0.9
159.08069	1.3
159.11711	1.7
161.06018	2.1
161.13246	2.3
165.07024	9.4
165.12773	1.8
166.07805	6.8
167.08582	14.4
168.09377	5.9
169.06424	1.1
169.10117	9.0
170.10931	2.2
171.08034	4.5
171.11700	4.3
173.06017	1.3
173.09598	1.0
173.13301	1.2
175.03912	51.7
175.14832	1.0
176.04236	1.1
178.07802	6.5
179.08563	18.2
180.09407	5.1
181.06528	3.1
181.10121	18.3
182.07269	1.1
182.10919	2.1
183.08131	4.4
183.11671	7.5
185.09633	6.4
185.13260	1.9
187.07571	1.5
187.14792	0.7
189.05518	2.3
189.07095	0.8
189.11172	1.4
190.07811	1.8
191.08522	5.8
192.09349	13.7
193.10133	18.6
194.07253	1.7
194.10933	5.9
195.08049	6.8
195.11713	19.2
196.08835	3.7
196.12512	1.2
197.09642	7.9
197.13242	4.5
199.03792	0.9
199.07556	1.7
199.11217	3.3
199.14868	1.6
201.05467	1.3
201.09053	0.9
202.07813	2.2
203.08583	2.1
204.09352	1.4
205.06543	1.3
205.10143	5.8
206.07375	1.8
206.10939	7.2
207.08136	8.3
207.11699	30.4
208.08888	3.1
208.12408	3.0
209.09648	17.9
209.13234	16.1
210.10458	4.5
210.14026	11.4
211.07596	2.9
211.11198	7.3
211.14799	1.3
213.09023	0.8
217.10133	2.7
219.08109	4.4
219.11630	4.9
220.08875	7.2
220.12514	3.4
221.09634	6.3
221.13231	7.7
222.10342	1.3
223.07722	1.2
223.11192	5.6
223.14722	3.7
224.08307	1.4
224.11966	2.2
225.05461	0.9
225.09242	3.6
225.12766	11.1
225.16330	1.1
226.06375	0.9
227.10693	1.2
227.14288	8.4
230.11113	1.0
231.11722	1.8
233.09715	5.0
233.13254	2.5
234.06749	1.0
234.10551	3.8
234.13945	4.0
235.07671	5.7
235.11203	20.4
235.14780	6.1
236.11858	1.0
237.09181	3.5
237.12770	2.7
238.09880	1.2
239.07040	2.5
239.10686	9.4
241.08588	2.2
247.11244	3.1
248.11964	3.1
249.09123	1.5
249.12767	6.8
249.16428	14.3
250.13472	1.1
251.10725	6.6
251.14273	6.9
252.11398	2.7
253.08615	5.3
253.12239	21.2
253.15965	1.9
254.11871	3.0
259.11124	1.7
259.14801	1.9
262.13568	3.1
265.08813	0.9
265.12283	1.4
266.17056	0.8
267.10187	2.1
267.13882	1.7
267.17441	8.0
277.12292	5.4
277.15878	11.0
277.21643	9.6
280.08505	1.2
280.14630	1.2
295.10486	2.5
295.13345	36.2
295.16934	100.0
295.22595	4.6
296.13696	1.0
296.17123	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	295.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
55.05513	0.3
58.02962	0.3
58.16269	0.2
60.15095	0.2
65.03933	1.5
67.05503	0.5
69.07060	0.4
69.56077	0.3
69.56478	1.1
70.00755	0.2
79.05503	0.3
81.07047	0.8
82.53408	0.2
83.08625	0.3
86.11923	0.2
91.05484	1.2
93.07035	0.8
95.04976	0.4
95.08036	0.2
95.08617	0.8
103.05470	0.6
104.09425	0.2
105.03368	0.4
105.07028	0.5
107.08623	0.5
107.85295	0.2
109.10147	0.6
111.04431	1.3
115.05441	0.5
117.05727	0.2
117.07014	3.2
118.06543	0.4
119.04936	0.4
119.08589	0.2
121.02868	51.8
121.10123	1.0
122.03200	0.6
123.11656	0.4
131.08585	0.2
132.08089	8.4
133.10123	0.2
143.07306	1.9
144.08083	100.0
145.06476	0.6
145.08432	1.3
146.05969	0.4
147.04424	1.2
151.03909	0.6
152.07079	2.5
155.06004	0.4
173.10721	0.2
175.03905	6.0
175.12311	19.7
176.04144	0.2
176.12659	0.5
178.08577	0.2
189.05411	0.3
203.06976	0.3
213.05524	0.3
221.08269	0.4
236.10524	0.4
246.09105	0.2
249.07823	0.9
252.10147	1.8
253.08563	0.6
264.10110	1.6
267.10089	0.4
277.21570	0.3
295.06021	0.3
295.09592	0.4
295.13977	3.9
307.53198	0.2
311.92307	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
65.03932	0.4
66.39375	0.3
67.05475	0.4
69.03416	0.8
70.06587	1.1
70.20206	0.7
70.20596	1.3
72.07809	0.5
72.08167	7.0
77.03940	0.7
81.03392	0.6
84.04491	0.5
84.08131	1.0
86.09693	1.1
89.03908	0.6
89.10796	5.4
89.53634	0.4
91.05485	18.3
94.06526	0.5
95.04957	0.8
95.08595	0.5
98.06032	0.9
98.21523	0.5
103.05454	0.5
105.03382	0.9
105.07066	0.7
107.04999	0.4
109.02879	0.6
114.90603	0.4
115.08691	1.6
119.04945	29.8
120.08088	2.7
124.79202	0.4
127.03873	0.5
129.10211	0.7
132.02071	1.3
133.76018	0.3
136.05200	0.5
136.07578	3.7
144.42676	0.4
145.02815	0.6
146.05994	1.5
147.04413	26.1
149.02356	0.9
150.07787	0.9
151.03905	1.0
157.04012	2.6
163.12173	0.5
164.04666	0.4
174.05470	0.6
175.03908	52.6
176.04274	1.1
179.07002	2.1
192.04216	0.6
193.08537	0.4
207.06531	100.0
208.06856	1.7
231.11229	0.5
235.09680	0.7
249.07553	0.4
249.12303	0.4
267.22827	0.3
278.13885	5.9
289.00400	0.4
295.08304	0.4
295.13083	0.5
295.16507	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	295.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.0
51.69488	0.6
52.68600	0.5
53.03947	4.4
55.01874	1.0
55.05511	2.0
56.96582	0.6
57.07072	1.3
59.05005	7.3
65.03942	1.0
67.05511	3.7
69.03423	0.9
69.07083	3.2
71.08632	1.5
71.52692	0.7
77.03935	0.8
79.05499	3.0
81.03427	1.5
81.07053	4.5
83.04971	1.4
83.08613	1.2
85.06536	0.9
91.05497	7.5
93.07066	4.0
93.31110	0.5
95.04970	9.5
95.08618	2.4
97.10188	1.0
99.08121	0.8
103.05465	0.7
105.03397	100.0
105.07017	3.5
106.03085	0.7
106.03728	3.2
107.04939	0.8
107.08615	2.8
109.10166	3.1
111.08058	0.6
111.11785	0.6
113.09690	0.7
115.05464	0.8
115.07573	13.5
117.05791	0.9
117.07027	0.8
118.06562	3.6
119.04948	2.0
119.08550	3.1
121.02874	0.6
121.10131	5.3
123.11729	0.7
129.07045	0.9
130.06535	14.8
131.08557	1.1
132.08124	5.0
133.06494	0.7
133.10138	2.4
135.11703	0.7
136.07603	1.9
141.06987	0.7
142.06563	0.9
143.08574	1.5
144.08121	1.0
145.06512	0.6
145.10133	0.9
147.04414	7.8
147.11647	0.6
148.07594	1.6
149.07925	1.4
149.09654	0.7
151.11124	0.6
155.08571	0.9
157.10211	0.7
158.05984	0.6
158.08394	0.8
159.11688	0.9
160.07600	9.9
161.13303	1.3
165.07030	0.9
167.08583	0.8
172.09967	0.7
173.10757	86.6
174.11086	1.3
175.03915	35.3
175.14792	0.6
179.08601	0.6
183.07970	0.7
185.13306	1.8
185.69931	0.6
189.05513	1.8
199.03880	1.8
203.14333	1.0
211.07526	0.6
213.05518	0.6
215.06912	0.9
225.09172	1.1
227.06915	0.8
234.09177	2.1
239.07225	1.4
241.08571	1.4
253.08546	3.7
257.70273	0.5
267.10095	1.3
277.13358	8.1
277.18106	0.7
277.21515	2.2
295.06070	0.7
295.13382	14.7
295.22855	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1327
Annotation	Eupomatenoid 5
Peak:m/z	Relative Intensity
53.03936	0.4
55.01865	1.6
55.05503	1.6
55.44093	0.3
57.74997	0.3
65.03934	1.1
67.05500	3.7
69.07061	1.9
70.08922	0.5
70.09334	1.1
71.08631	0.3
79.05484	2.7
81.07053	3.8
83.04974	0.3
83.08610	1.3
90.47518	0.3
91.05476	14.2
92.29045	0.3
93.07043	3.4
95.04954	0.6
95.08607	4.1
97.06519	1.5
97.10147	0.7
99.08102	0.4
103.05443	0.9
105.07029	5.2
107.08594	4.8
109.10143	3.4
115.05427	0.5
117.07004	1.0
119.04941	6.1
119.08567	2.8
121.02844	0.7
121.10139	12.7
123.08061	0.7
123.11655	0.4
125.09683	0.3
128.06175	0.5
129.06975	0.9
131.04904	0.5
131.08546	1.1
133.06485	0.8
133.10126	3.2
135.11688	0.7
141.07010	0.4
143.08545	0.7
145.06458	0.8
145.10115	1.1
147.04405	21.4
147.11668	1.4
148.04828	0.4
149.13252	0.4
151.11201	0.3
152.06227	0.5
153.06973	0.6
154.07732	0.4
155.08568	0.9
157.06451	0.4
157.10110	0.9
159.04442	1.8
159.11679	1.0
161.13228	0.6
165.06999	1.0
166.07776	0.4
169.10115	0.7
171.04385	0.7
171.11690	0.7
173.05972	1.1
173.13292	0.8
175.03899	100.0
176.04184	2.1
178.07788	0.6
179.08542	0.5
179.14307	0.6
181.06599	0.5
181.10078	0.4
181.65128	0.3
182.07283	0.3
183.08038	0.5
183.11615	0.4
185.06009	0.5
185.13275	1.0
187.03935	0.8
187.14832	1.1
189.05450	5.6
195.08005	0.8
197.06001	0.5
197.09641	0.9
198.06732	0.5
199.03920	2.7
199.14838	0.8
201.05411	2.1
203.07051	2.7
207.07880	0.4
208.08618	0.3
209.09583	0.6
210.06761	0.5
211.07506	1.1
211.14746	0.5
213.05460	3.1
213.16454	0.4
214.30243	0.4
215.07033	0.8
216.06602	0.8
223.07487	0.8
224.08313	0.6
225.05548	0.4
225.09131	1.3
225.16414	0.5
226.06210	2.1
227.07004	2.5
237.08990	0.8
239.07014	3.4
239.17915	0.4
241.08553	3.4
251.07106	0.8
252.07666	0.3
252.11403	0.5
253.08603	7.8
253.12335	0.4
259.20676	0.5
265.08624	0.9
267.10129	3.0
267.13101	0.5
277.21640	2.5
295.13278	31.9
295.24188	4.2
296.13626	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1328
Annotation	Eupomatenoid 5
Peak:m/z	Relative Intensity
53.03940	0.8
55.01863	0.4
55.05492	1.2
57.07064	0.5
65.03934	0.9
67.05502	3.6
68.99780	0.4
69.07068	1.9
70.48688	1.1
74.17376	0.3
75.74319	0.3
79.05491	2.0
81.03410	2.1
81.07051	2.2
83.08611	0.9
87.60408	0.2
91.05479	12.2
93.07030	3.1
95.04977	1.8
95.08628	1.8
97.10150	0.3
103.05454	0.8
104.03185	0.3
105.07030	4.6
107.08589	3.1
109.06519	0.4
109.10161	2.7
115.05444	0.7
117.06989	0.4
119.04943	5.2
119.08586	1.3
121.02853	0.3
121.10140	12.4
123.08069	0.6
123.11737	0.4
128.06192	0.4
129.06990	0.4
131.04897	0.5
131.08479	0.4
133.02823	0.4
133.06456	0.7
133.10146	3.2
145.06508	0.5
147.04405	20.3
147.11682	0.4
151.11166	1.5
155.08578	0.7
159.04362	1.0
165.06985	0.9
169.06390	0.4
169.10094	0.4
171.04379	0.4
171.11586	0.3
173.05913	0.8
175.03900	100.0
176.04227	1.5
178.07870	0.4
179.08583	0.5
182.07187	0.4
183.08073	0.5
187.03683	0.3
189.05473	5.2
195.08000	0.4
197.06015	0.5
197.09642	0.6
199.03894	1.8
201.05466	2.3
203.06993	2.9
207.08173	0.3
210.10483	0.3
211.07521	0.9
213.05435	2.1
215.07028	0.8
216.06564	0.7
223.07390	0.3
224.08195	0.8
225.05409	0.3
225.09096	1.0
226.06169	1.7
227.06984	1.7
231.21080	0.6
237.09126	0.5
239.07013	2.1
240.07561	0.4
241.08582	2.4
251.07091	0.6
253.08604	6.1
255.10057	0.4
265.08542	0.7
267.10156	2.1
267.13632	0.4
277.21643	2.8
280.10715	0.3
295.13275	30.9
296.13580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
57.07068	0.3
65.03941	0.7
67.05510	2.0
69.07063	0.9
69.39510	0.8
69.39935	1.3
79.01914	0.3
79.05489	1.3
81.07063	1.1
83.08627	0.3
88.67965	0.3
91.05478	13.0
93.07049	2.1
95.04943	0.3
95.08607	1.3
103.05488	0.7
105.07038	4.2
105.56539	0.3
107.08585	2.8
109.10156	2.0
115.05443	0.7
117.07008	1.1
119.04938	5.7
119.08562	1.2
120.40602	0.3
121.10138	12.0
123.08058	0.5
129.07013	0.7
131.04903	0.5
131.08565	0.5
133.06479	1.2
133.10139	2.3
139.62476	0.3
145.06467	0.6
146.56261	0.3
147.04405	20.2
147.11655	0.5
155.08562	0.6
159.04382	0.8
165.06982	0.6
169.10127	0.5
173.05977	1.1
173.13219	0.3
175.03900	100.0
176.04225	2.0
179.08588	0.7
181.06488	0.5
182.07373	0.4
183.11613	0.3
185.05908	0.3
185.09634	0.6
186.55980	0.3
187.03958	0.6
189.05452	5.5
189.07065	0.5
195.08047	0.4
197.05969	0.4
197.09570	0.7
198.06761	0.5
199.03867	2.3
201.05470	1.9
203.07024	2.6
210.06866	0.5
211.07552	0.9
213.05487	2.4
215.06972	0.9
216.06558	0.9
223.07666	0.4
225.05461	0.7
225.09123	1.2
226.06242	2.4
227.07098	1.5
229.08504	0.5
231.18990	0.3
237.09006	0.7
239.07069	2.5
241.08592	3.0
251.07120	0.7
251.10507	0.3
253.08603	6.0
255.10048	0.4
265.08533	0.6
267.10159	2.5
277.12396	0.4
277.21689	0.5
280.10962	0.5
295.13272	32.1
295.24231	1.6
296.13654	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1327
Annotation	Eupomatenoid 5
Peak:m/z	Relative Intensity
50.84466	0.2
53.03930	0.3
55.01865	1.0
55.05508	1.3
57.07067	0.3
65.03937	0.9
67.05505	2.4
69.07056	1.1
70.27985	1.0
71.08636	0.4
74.27700	0.2
79.05490	1.5
81.07051	1.6
83.04989	0.5
83.08607	0.8
84.08144	0.3
91.05482	13.9
93.07050	2.4
95.04964	0.7
95.08603	1.8
97.06538	0.6
97.10147	0.3
98.21391	0.3
99.08095	0.3
103.05472	0.9
105.07037	4.9
107.04986	0.3
107.08605	3.3
109.10154	2.3
111.08089	0.6
115.05444	0.8
117.07008	0.7
119.04946	5.5
119.08577	1.6
121.02850	0.3
121.10146	13.2
123.08077	0.6
126.27769	0.2
128.06209	0.7
129.06970	0.5
131.04866	0.4
131.08557	0.6
133.02870	0.3
133.06516	0.6
133.10126	2.1
135.04428	0.9
135.11699	0.3
141.07007	0.4
145.06494	0.7
147.04416	23.5
147.11694	0.4
151.11217	0.5
152.06168	0.3
153.07014	0.6
155.08539	0.6
159.04393	1.2
165.06937	0.4
165.12607	0.3
166.07724	0.5
167.08589	0.3
169.10124	0.5
171.04410	0.4
173.05988	0.8
173.50252	0.2
175.03909	100.0
176.04259	1.8
178.07774	0.3
179.08572	0.5
182.07260	0.5
183.07959	0.3
185.06139	0.3
187.03999	0.3
187.07571	0.3
189.05467	5.9
192.28995	0.3
193.10039	0.2
195.08047	0.4
197.06050	0.3
197.09496	0.5
198.06734	0.3
199.03938	2.1
201.05504	1.9
203.07047	2.4
209.09518	0.4
210.06773	0.5
211.07635	0.6
213.05476	2.0
215.07036	0.9
216.06578	0.7
223.07436	0.5
224.08345	0.5
225.05522	0.3
225.09084	0.9
226.06316	1.6
227.07051	1.5
229.08372	0.3
235.11139	0.4
237.08998	0.5
239.06978	1.9
241.08582	2.1
251.06981	0.6
253.08617	6.3
255.10101	0.3
265.08563	0.7
267.10126	2.8
277.21689	1.6
295.13293	27.2
295.22458	1.3
296.13470	0.9
298.19562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1326
Annotation	Eupomatenoid 5
Peak:m/z	Relative Intensity
51.85683	0.4
53.03938	0.5
55.01862	1.6
55.05507	2.9
65.03937	1.1
67.05504	4.7
69.07073	3.3
69.97260	1.0
69.97675	1.2
71.08636	0.5
77.03934	0.6
79.05491	2.9
79.24695	0.4
81.03428	0.7
81.07053	2.5
83.04961	0.5
83.08616	2.1
88.11006	0.4
91.05480	16.3
93.07033	3.4
95.04966	0.7
95.08606	4.6
103.05454	1.4
105.03375	1.6
105.07024	6.1
107.08594	3.8
109.10158	4.0
111.08089	1.2
113.09631	0.6
115.05460	1.5
117.07019	1.3
119.04946	5.4
119.08578	2.6
121.02845	0.5
121.10144	12.1
123.08047	0.8
127.78193	0.4
128.06258	1.4
129.07013	1.2
131.04893	1.2
131.08569	0.8
133.02826	0.8
133.06451	1.0
133.10121	5.5
134.10880	0.7
141.06970	1.9
143.08568	0.5
145.06470	1.4
146.05965	0.8
147.04414	21.4
151.11235	0.7
152.06189	0.6
153.07005	1.3
154.07733	0.8
155.08514	2.3
157.06514	0.7
159.04430	2.8
159.08080	0.5
165.06943	2.0
166.07745	0.8
167.08554	0.9
168.05760	0.5
169.06512	1.2
169.10152	1.2
171.04402	3.0
171.07979	0.4
173.05980	1.3
174.05457	1.8
175.03906	100.0
176.04256	1.1
178.07799	0.9
179.08557	1.9
181.06493	1.1
182.07324	1.4
183.04416	0.8
183.08081	1.7
185.05986	1.0
187.03864	2.2
188.04048	0.5
189.05476	6.7
189.07051	0.6
194.07370	0.5
195.08061	1.0
197.05956	2.3
197.09622	1.7
199.03897	8.9
199.07530	0.8
201.05463	5.3
203.06982	2.8
207.08070	1.1
208.08852	0.6
209.09615	0.7
210.06757	1.4
211.07536	4.1
212.08296	1.0
213.05470	6.3
213.09091	0.4
215.07010	2.8
216.06532	0.5
223.07574	1.0
224.08270	0.9
225.05423	1.4
225.09093	4.1
226.06232	1.5
227.07036	4.3
229.08572	0.6
235.07578	0.9
237.05504	0.5
237.09085	0.7
239.07048	6.6
239.10716	1.3
240.07880	1.3
241.08620	5.0
247.07594	0.6
251.07071	1.7
251.10809	0.5
252.11385	0.7
253.08611	18.0
253.12215	1.0
254.08994	0.5
265.08606	1.3
267.10159	3.9
267.13757	1.3
277.12170	0.7
277.21796	2.1
293.12067	0.5
295.13287	59.9
295.22641	1.2
296.13605	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	295.1327
Annotation	Eupomatenoid 5
Peak:m/z	Relative Intensity
54.30547	0.2
55.01868	0.3
55.05489	0.4
55.98693	0.2
58.65447	0.2
65.03927	1.2
67.05500	1.1
68.99788	0.3
69.07086	0.3
71.53175	0.3
79.05482	1.0
81.07051	0.6
83.08604	0.4
91.05479	15.5
91.10986	0.2
93.07062	1.1
95.08612	0.8
103.05470	0.8
105.03407	0.3
105.07042	3.7
107.08588	1.8
109.06533	0.2
109.10143	1.9
115.05439	0.7
117.06994	0.7
119.04949	6.4
119.08582	1.3
121.02891	0.2
121.10142	11.6
123.08102	0.3
128.06232	0.3
129.06958	0.4
131.04938	0.6
133.02835	0.3
133.06497	0.7
133.10141	2.2
134.10837	0.2
141.07008	0.7
145.06458	0.4
147.04408	23.6
148.04738	0.4
154.07761	0.3
155.08577	0.6
157.06474	0.3
159.04398	0.9
165.07005	0.7
166.07774	0.4
169.06433	0.3
169.10127	0.4
171.04451	0.5
173.05984	0.9
175.03903	100.0
176.04251	1.5
176.23863	0.2
178.07745	0.2
179.08525	0.4
181.06499	0.4
182.07286	0.6
183.04500	0.2
183.08006	0.4
185.05946	0.4
187.03883	0.4
189.05466	5.5
189.06900	0.2
190.07797	0.3
195.08002	0.3
196.08771	0.4
197.05885	0.3
197.09663	0.6
198.06747	0.4
199.03893	2.1
201.05479	1.5
203.07042	1.8
210.06776	0.4
211.07579	0.8
213.05444	2.1
215.07059	0.8
216.06512	0.3
223.07509	0.3
224.08316	0.7
225.05492	0.3
225.09126	0.8
226.06236	1.6
227.07045	1.7
229.08623	0.3
237.09122	0.8
239.07025	2.3
241.08603	2.6
242.75327	0.3
251.06937	0.5
252.11325	0.3
253.08597	5.5
265.08505	0.6
267.10114	2.2
295.13284	22.5
296.13562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1327
Annotation	Eupomatenoid 5
Peak:m/z	Relative Intensity
51.02395	0.3
55.05517	0.3
64.79430	0.3
65.03938	0.8
67.05502	1.5
69.07050	0.4
70.48803	1.1
79.05476	1.3
81.07048	0.4
83.08641	0.5
88.49564	0.3
91.05482	15.6
92.05790	0.5
93.07055	1.6
95.08612	1.4
103.05448	1.4
105.07044	4.0
107.08578	2.2
107.68940	0.3
109.10153	2.1
115.05446	1.0
117.07014	0.9
119.04958	5.8
119.08548	1.1
121.10142	11.3
123.08028	0.4
129.07001	0.4
131.04941	0.7
131.08492	0.3
133.06479	1.1
133.07442	0.4
133.10097	2.2
134.10876	0.3
141.06969	0.9
143.08421	0.3
145.06503	0.3
147.04417	24.5
148.04649	0.4
151.54414	0.3
153.06985	0.4
155.08554	0.7
159.04388	1.5
165.06984	0.8
166.07753	0.6
167.08470	0.4
169.06418	0.3
169.10179	0.4
171.04446	0.6
173.05939	0.8
175.03914	100.0
176.04262	1.4
178.07784	0.5
179.08595	0.5
182.07256	0.8
183.04486	0.4
183.08060	0.6
185.06007	0.7
187.03955	0.8
189.05478	5.5
189.07065	0.6
195.07986	1.1
197.05978	0.8
197.09634	0.7
198.06708	0.4
198.18140	0.3
199.03902	2.5
199.07567	0.3
201.05415	2.5
203.07037	2.4
207.08029	0.6
208.08804	0.4
210.06743	0.3
211.07564	0.7
213.05510	2.9
215.06856	0.7
223.07463	0.4
224.08360	0.7
225.05472	0.5
225.09116	1.4
226.06155	1.8
227.07040	1.6
229.08548	0.5
237.09108	0.7
239.07027	2.8
241.08609	2.5
251.07043	0.6
252.11435	0.4
253.08618	6.5
265.08563	0.8
267.10120	2.6
267.13489	0.6
295.13293	28.3
296.13620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1328
Annotation	Eupomatenoid 5
Peak:m/z	Relative Intensity
53.03934	0.6
55.01864	0.4
55.05504	1.5
57.07063	0.7
65.03935	0.9
67.05502	2.8
69.07065	1.5
69.65149	1.8
71.04973	0.4
79.05482	2.4
80.48421	0.3
81.03425	0.4
81.07054	2.6
83.08611	1.0
91.05482	13.7
93.07043	3.4
95.04951	1.2
95.08603	2.5
97.06524	0.4
97.10142	0.4
103.05454	0.9
105.03391	1.8
105.07037	5.2
107.04938	0.3
107.08586	4.7
109.06496	0.8
109.10155	3.5
115.05448	0.8
117.07024	0.7
119.04937	6.1
119.08569	2.6
121.02875	0.5
121.10142	12.6
123.08090	0.6
128.06195	0.6
129.06982	0.6
131.04892	0.7
131.08577	0.6
133.02768	0.4
133.06468	1.1
133.07477	0.4
133.10136	4.0
134.10863	0.4
135.11687	0.5
136.36504	0.3
141.06990	0.6
142.07809	0.4
143.08516	0.7
145.06493	0.5
145.10141	1.0
147.04407	23.2
147.11729	0.6
148.04739	0.4
149.13260	0.5
153.06964	0.6
155.08514	1.0
157.10107	1.0
157.48759	0.3
159.04430	1.2
159.11667	0.6
161.13181	0.6
163.04059	0.3
163.14856	0.3
165.06982	1.1
166.07791	0.7
167.08517	0.8
169.06564	0.5
169.10112	0.9
171.04390	0.4
171.11794	0.5
173.05998	1.2
173.10751	1.1
173.13213	0.6
175.03906	100.0
176.04236	1.7
177.28651	0.3
179.08528	0.8
181.06483	0.5
182.07069	0.4
183.08028	0.4
183.11700	0.3
185.06010	0.4
185.13188	0.7
187.03958	0.7
187.14757	0.7
189.05473	6.0
189.07042	0.5
195.08147	0.5
197.05949	0.6
197.09621	0.6
199.03931	3.0
199.14867	0.6
201.05464	2.2
203.07016	3.3
205.08458	0.4
207.07985	0.5
208.08755	0.4
209.09731	0.4
210.06841	0.4
211.07558	1.3
211.11256	0.4
211.14853	0.6
213.05493	3.0
213.16408	0.5
215.06996	1.0
216.06551	0.9
219.08141	0.3
223.07550	0.7
224.08322	0.8
225.05336	0.4
225.09065	1.3
225.16284	0.3
226.06281	2.4
227.07050	2.0
229.08502	0.4
235.07559	0.5
237.09061	0.7
239.07094	3.7
241.08617	3.1
251.07054	0.8
252.11496	0.4
253.05977	0.5
253.08594	7.1
259.20581	0.4
265.08496	0.8
267.10132	2.9
267.13046	0.5
277.12204	0.4
277.21552	1.4
295.13287	34.7
295.24301	2.9
296.13440	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.16
Annotation	Ondansetron
Peak:m/z	Relative Intensity
51.02386	0.1
53.03933	0.3
55.01876	0.3
55.05499	0.2
63.17216	0.1
67.05475	0.2
69.98153	0.3
69.98562	0.5
70.91713	0.1
76.14723	0.1
76.21539	0.1
77.03922	0.3
79.05493	2.5
91.05485	5.0
95.04973	0.5
95.08596	0.2
97.06558	0.2
104.04977	0.2
105.03387	0.4
105.04521	0.1
106.04204	0.3
106.06559	8.6
107.04959	0.4
107.08597	0.3
108.08116	0.2
108.08918	0.3
109.06511	0.6
116.04979	5.4
117.26317	0.1
119.06070	0.4
122.03591	0.2
132.04460	0.4
134.06017	100.0
135.06352	1.1
137.05963	1.3
144.08087	3.4
144.09232	0.2
147.04471	0.2
151.08632	0.2
161.10759	0.4
166.32954	0.1
175.03934	0.7
176.07950	0.2
220.10550	0.3
262.11566	0.4
276.14944	0.5
276.20486	0.6
294.16049	6.7
295.13345	0.2
295.16440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05507	1.2
56.05032	0.6
57.03424	0.6
65.03921	3.1
67.05507	2.9
69.03426	2.3
69.07071	1.8
69.85068	0.6
70.06610	4.2
71.03114	0.6
71.03434	1.0
71.04993	0.8
72.08141	2.0
77.87090	0.6
79.05500	1.1
81.03412	2.3
81.07036	2.1
82.84989	0.5
83.08667	0.6
83.46494	0.6
84.04510	1.6
84.08153	3.1
85.02932	1.3
86.09701	3.2
91.05452	1.9
93.03394	1.4
93.07036	1.8
94.06589	0.8
95.04971	1.2
95.08611	5.4
97.02888	0.7
103.05483	1.0
103.09136	0.6
105.03416	0.9
105.07026	1.5
107.04941	1.8
107.08577	0.8
109.02866	1.4
109.06535	0.5
109.10159	0.7
111.94267	0.6
113.29751	0.6
116.07083	1.1
119.04958	1.0
119.08574	0.8
120.08115	7.7
121.02867	2.7
121.06500	1.6
121.10091	0.6
123.04462	1.4
124.07587	1.8
129.10196	0.8
131.01294	2.4
131.08522	0.7
133.06496	0.9
135.04417	0.9
135.07985	0.6
136.07608	1.4
137.02361	3.7
137.09665	0.7
146.06003	1.6
147.04402	2.2
149.02344	65.3
149.09480	0.7
150.02707	1.1
151.02754	1.0
151.03917	17.6
151.05145	0.9
161.02367	0.7
163.03922	3.6
163.07526	1.2
167.03407	100.0
168.03740	2.1
174.05472	0.7
175.03882	5.1
177.05487	1.1
189.05432	4.7
195.02899	40.7
196.03175	0.9
203.07022	0.8
207.06548	5.4
225.07562	1.8
231.10165	21.8
232.10510	1.0
235.05852	1.2
235.09671	1.5
238.95602	0.6
249.11237	49.9
250.11522	1.2
263.07089	1.5
267.12430	4.4
277.10797	5.7
278.10635	0.6
280.07352	0.8
292.34494	0.6
295.06241	0.6
295.09067	0.7
295.12115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.4
55.01866	0.6
55.05498	0.6
58.33791	0.2
65.03931	2.5
67.05501	0.9
69.07056	0.7
70.06582	0.8
71.53661	0.4
72.00874	3.9
77.03948	0.3
81.03428	0.3
81.07041	0.6
82.07371	0.5
82.09901	0.3
83.08622	0.3
91.05477	0.8
92.04986	0.3
93.03394	1.7
93.07035	0.7
95.01399	0.3
95.04957	0.5
95.08599	2.5
101.18382	0.3
102.74271	0.3
104.55529	0.3
105.07051	0.4
106.02894	2.1
107.04944	0.4
109.02864	0.3
111.04410	0.8
116.07073	0.6
119.04971	0.3
120.08089	0.6
121.02863	2.2
121.10056	0.3
123.04423	27.9
124.04787	0.6
131.01266	3.1
131.56720	0.3
135.04422	0.3
136.05243	0.4
137.02348	1.5
146.05995	0.5
147.04388	0.6
149.02335	49.8
149.07083	0.7
150.02861	1.2
151.03893	7.8
153.13950	0.2
154.04807	0.3
163.03912	1.5
164.04681	4.9
167.03395	74.9
168.03758	1.0
174.05418	0.3
175.03911	2.4
176.03429	1.8
177.04196	7.9
179.03323	0.4
182.04453	2.1
189.05478	1.9
194.04480	100.0
195.04793	1.4
196.13292	0.6
203.06982	0.3
207.06508	3.2
208.06007	0.4
225.07539	1.1
231.10155	9.1
234.07533	0.5
249.11212	16.4
250.11429	0.3
267.12256	3.0
276.12238	3.1
294.08331	0.4
294.13321	6.5
294.20435	0.5
295.13412	0.6
318.02249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.8
57.07078	31.5
67.05500	2.2
69.07070	100.0
69.53133	4.4
70.07850	7.7
73.09254	0.5
74.31728	0.5
75.44126	0.5
79.05504	1.1
81.07060	1.5
84.88927	0.6
88.66566	0.5
91.05457	2.7
93.07026	1.0
94.04187	0.7
95.04990	0.9
95.08590	1.0
96.08942	0.7
97.10013	0.6
98.10486	0.6
98.20809	0.7
99.00036	4.3
100.97009	0.6
105.07037	1.4
107.08602	1.0
111.04445	0.9
113.01523	3.5
115.07570	28.1
120.04470	0.6
121.06510	0.7
121.10152	1.2
126.99469	10.7
127.03136	0.9
129.01042	14.3
133.10109	0.7
134.06024	8.6
137.05952	1.2
139.00569	1.7
141.01016	20.6
141.02110	1.1
141.84628	0.5
147.04370	3.0
155.02576	7.0
161.09581	1.3
167.10542	0.7
175.03917	13.5
189.05482	1.0
197.07291	73.0
198.07687	1.0
225.06816	5.7
226.06308	0.6
239.06850	0.9
241.08522	1.0
253.08684	0.9
276.20334	1.6
294.10016	31.7
294.21347	1.4
295.10098	1.1
295.13260	7.2
310.16687	0.6
310.73578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.5
55.01859	1.1
55.05516	6.3
57.07079	1.1
59.04998	2.8
65.03932	2.5
67.05504	1.9
69.07068	1.0
69.76170	3.1
69.76577	2.1
70.16161	0.9
71.04999	5.8
72.00877	60.8
81.03417	24.5
81.07027	1.3
85.06546	10.0
90.01913	1.7
91.05486	1.5
93.07018	1.2
95.08586	1.0
105.03398	2.3
105.07012	1.0
106.03728	1.1
111.04438	89.1
113.06001	54.9
120.04504	3.2
121.02872	4.2
127.03924	1.8
134.06042	5.1
135.08054	1.1
136.03955	3.2
137.02335	83.7
137.04674	2.9
149.02341	19.2
154.04936	4.8
155.03410	3.3
163.07549	1.8
164.03455	5.7
167.03404	8.0
173.05937	1.0
175.03886	1.5
182.04486	100.0
189.05478	6.9
191.07069	4.6
206.04468	1.5
216.06683	1.2
217.04976	2.7
223.09752	1.8
249.07550	1.9
262.07120	3.8
294.09909	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	293.2837
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
50.65535	0.6
53.03957	1.5
55.01863	1.2
55.05505	21.7
57.07072	12.2
57.66931	0.6
65.03940	1.4
67.05502	31.1
69.03427	1.4
69.07066	46.4
70.06562	1.0
71.04988	1.5
71.08619	4.4
71.52216	0.8
79.05490	9.6
81.03416	0.9
81.07051	88.5
82.07417	0.9
83.04958	1.0
83.08614	23.3
83.51127	0.7
85.06539	14.8
85.10179	1.2
91.05459	2.7
93.07041	14.0
95.04960	1.4
95.08602	100.0
96.08949	1.3
97.06528	2.3
97.10163	15.8
97.26255	0.6
99.08082	11.8
105.03411	1.5
105.07035	1.7
107.08588	11.8
109.06522	1.1
109.10150	63.2
110.10464	1.2
111.08086	5.0
111.11713	10.5
113.05994	0.6
113.09644	2.0
117.07072	0.7
119.08566	1.4
120.08078	0.7
121.10143	8.3
123.08054	0.8
123.11698	34.3
125.09626	2.1
125.13263	3.9
127.11201	0.9
129.06915	0.7
131.04933	1.4
131.08542	1.2
133.10144	1.1
134.05983	0.7
135.04436	0.8
135.11694	6.0
137.13246	32.0
139.11122	1.0
143.08563	0.8
145.10138	0.8
147.04494	0.7
149.13254	8.7
151.14810	5.6
153.12755	0.9
159.11681	0.9
163.14781	4.0
165.16368	3.1
167.14284	2.0
169.15848	0.8
175.03830	0.8
177.05458	0.7
177.16393	1.2
179.17921	1.5
183.17393	0.8
185.09634	1.0
186.27884	0.6
191.17932	1.6
193.19531	1.4
203.21030	0.8
205.19522	1.1
209.19009	1.3
209.94199	0.6
209.97650	0.6
213.57027	0.7
223.11317	0.7
223.20549	1.1
237.22119	1.0
250.06229	0.9
275.20093	1.1
275.27356	3.6
293.08118	1.3
293.11255	4.6
293.14682	0.7
293.21442	1.3
293.28351	41.9
294.11465	0.8
294.28726	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	6.8
55.01873	10.9
55.05512	43.2
56.96535	1.9
57.03428	6.7
57.07075	14.4
57.16534	1.7
65.03946	3.6
67.05504	61.0
69.03435	4.9
69.07069	50.5
71.04990	6.1
71.08628	4.8
71.27263	2.5
76.84460	1.9
79.05496	56.7
81.03417	9.3
81.07057	99.1
83.04982	7.9
83.08615	36.7
85.02897	2.8
85.06534	9.2
90.04704	1.8
91.05483	35.4
93.07050	50.9
95.04968	15.9
95.08609	75.3
97.02893	2.0
97.06534	17.4
97.10164	20.8
99.08092	6.6
103.05465	3.0
105.07035	39.5
105.07697	3.4
107.04948	11.7
107.08593	74.7
109.06525	14.5
109.10155	49.1
111.08113	9.6
111.11711	7.6
113.09717	3.8
116.12999	1.9
117.07004	11.0
119.08577	25.3
121.06434	3.8
121.10142	28.2
123.08076	9.5
123.11703	21.0
125.09640	14.5
129.07040	2.0
131.04874	3.0
131.08586	15.4
133.10136	23.2
134.06064	2.5
134.94449	1.8
135.02649	1.6
135.08069	7.5
135.11679	14.9
137.09644	10.2
137.13281	8.9
139.11188	5.7
143.08516	2.6
145.06493	2.7
145.10129	16.0
147.11716	15.0
149.09610	18.8
149.13277	17.2
151.11176	9.1
151.14842	5.6
153.12686	4.2
155.08630	2.1
157.10143	4.7
159.11702	12.0
161.09596	1.9
161.13275	4.6
163.11179	8.6
163.14851	4.8
165.09167	4.2
165.12813	4.8
169.10162	3.2
171.11652	2.8
173.13268	6.6
175.11215	2.0
177.12604	1.9
181.12294	2.1
187.11186	4.3
187.14847	2.2
189.11307	10.2
189.12689	2.2
191.17801	2.7
193.91176	1.9
197.13417	2.5
229.19510	5.6
239.17990	5.6
247.20569	6.8
249.25606	2.3
257.19061	12.2
275.20053	100.0
275.27402	6.0
276.20474	3.6
293.21194	36.4
293.24683	3.5
293.28220	19.7
308.50558	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2473
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03917	1.4
55.01896	1.0
55.05506	9.4
57.07062	1.9
61.54378	0.8
62.57387	0.8
63.27904	0.8
65.03917	2.5
67.05504	92.1
69.07061	9.4
69.20161	9.5
70.89946	0.8
71.08620	1.0
78.77988	1.0
79.05493	15.2
81.07055	100.0
83.04975	1.9
83.08610	5.9
85.06532	2.0
90.96735	0.9
91.05478	5.4
93.07038	15.1
95.04951	1.3
95.08605	79.0
97.06511	3.1
97.10146	2.7
99.08094	1.2
105.07014	5.6
107.08585	10.3
109.06498	2.5
109.10154	32.8
110.10491	1.0
113.49571	0.9
115.96503	0.8
117.07005	2.1
119.08600	4.5
121.10139	10.2
123.08043	1.4
123.11697	17.0
131.08557	7.4
133.10121	3.6
135.08054	1.8
135.11688	8.1
137.09590	1.6
137.13237	10.2
145.10081	4.3
147.11691	3.9
149.09618	2.9
149.13286	5.2
151.11176	1.6
151.14816	4.0
153.12779	1.3
159.11678	3.4
161.13226	3.6
163.11165	2.3
163.14803	3.8
165.12769	0.9
165.16371	1.3
173.13245	7.2
174.34850	0.8
177.12714	3.6
177.16368	2.2
179.14267	2.0
183.11639	0.9
187.14801	3.4
191.14316	2.5
196.20261	1.0
201.16324	1.2
209.15305	1.6
217.19463	1.8
219.21092	1.3
223.14803	1.2
223.16908	1.6
233.22679	1.0
237.18558	1.0
243.21042	6.9
251.19981	1.0
261.22147	7.2
263.00043	0.8
275.19983	1.2
285.73798	1.0
293.18912	1.8
293.22656	1.6
293.24939	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	293.2474
Annotation	Methyl linolenate
Peak:m/z	Relative Intensity
53.03932	1.1
55.05266	1.0
55.05507	9.2
57.07059	2.2
65.03925	2.0
67.05502	93.9
69.07063	10.4
69.60175	6.1
71.04971	1.0
74.49352	0.9
79.05078	1.0
79.05493	12.1
81.07053	100.0
83.08619	4.9
85.06532	2.1
91.05461	4.3
93.07042	12.0
95.05025	1.0
95.08603	72.4
97.06493	2.1
97.10150	2.5
99.08068	1.1
105.07020	4.6
107.08581	8.2
109.06490	1.7
109.10151	40.8
116.39636	1.0
117.06993	1.3
119.08552	4.3
121.10152	8.5
121.68182	0.9
123.11697	26.0
125.09602	1.8
125.69831	0.9
131.08557	4.4
133.10115	3.9
135.08119	1.0
135.11699	4.9
137.09691	1.1
137.13232	11.4
145.10118	2.7
147.11656	2.8
149.09546	1.1
149.13245	3.6
151.11157	2.0
151.14812	2.3
155.01712	0.9
159.11684	3.5
161.13298	2.3
163.11194	2.2
163.14835	2.8
165.12758	1.9
173.13228	4.2
177.12622	1.7
177.16431	1.7
179.14340	1.0
187.14789	3.2
191.14331	1.3
205.15874	1.2
226.69601	1.1
237.18495	1.3
243.21086	4.8
251.19955	1.1
261.22192	5.4
293.21530	1.9
293.24768	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.05605	1.5
52.70339	1.6
53.03934	3.4
53.40226	1.5
55.01863	12.0
55.05510	30.6
57.03422	2.3
57.07077	2.4
60.07086	1.7
65.03935	2.3
67.05505	48.7
69.03427	4.9
69.07066	25.7
69.74934	1.6
70.15964	7.2
71.04989	4.0
72.25643	1.6
79.05074	3.2
79.05495	43.0
81.03417	9.9
81.07055	69.8
83.04984	9.4
83.08623	16.6
85.06534	5.6
91.05482	34.2
93.07045	34.0
95.04977	16.0
95.08606	37.9
97.06535	13.2
97.10166	14.6
97.66678	1.6
99.08109	1.9
105.07029	36.4
107.04977	12.6
107.08588	51.2
109.06519	16.0
109.10154	22.6
111.08074	5.2
117.06988	12.8
119.08582	24.9
121.06532	5.4
121.10137	17.6
123.08045	9.1
123.11676	9.0
125.09632	14.0
129.07028	1.8
131.08560	15.0
133.06438	2.1
133.10124	23.3
135.08037	7.1
135.11684	10.4
137.09599	6.7
143.08568	3.1
145.06493	2.4
145.10114	16.4
147.11700	16.9
149.09612	20.3
149.13252	6.8
151.11212	7.9
157.10155	4.8
159.11685	10.0
161.09575	2.4
161.13229	4.0
163.11238	10.0
163.14886	2.6
165.09138	3.3
169.10097	2.1
171.11676	3.7
173.09573	2.0
173.13278	4.2
175.11179	3.4
177.12723	3.6
180.28285	1.6
181.12216	2.0
183.11665	2.9
187.14861	2.4
189.11151	7.9
191.14308	2.4
197.13126	2.7
213.16351	1.9
229.19501	5.1
233.18916	2.8
239.17932	6.9
246.43834	1.7
247.20622	7.2
257.18991	13.6
265.21558	2.0
275.20068	100.0
276.20389	2.8
293.11755	1.9
293.21121	31.4
293.28293	3.3
302.24664	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03949	5.7
53.66631	1.6
55.01866	10.5
55.05509	21.9
55.41964	1.5
56.54234	1.7
57.03437	3.5
57.07079	8.9
62.28003	1.4
65.03934	3.4
67.05507	48.4
69.03440	3.7
69.07069	38.3
69.45294	7.4
69.45726	6.1
71.04993	5.1
77.83828	1.5
79.05496	45.5
79.18665	1.4
81.03422	6.3
81.07056	100.0
83.04987	5.6
83.08621	12.2
85.06540	5.0
91.05483	32.1
93.07051	30.8
95.04971	20.0
95.08607	32.9
97.06535	7.6
97.10161	2.2
98.21489	2.5
99.08105	1.7
105.03400	1.7
105.07034	38.1
107.04944	6.4
107.08604	27.0
109.06528	25.0
109.10149	25.8
111.08095	5.6
115.07578	4.3
117.07011	8.8
119.08577	40.5
119.89767	1.6
121.06512	8.3
121.10141	19.0
123.08049	10.2
123.11739	5.3
125.09665	2.2
126.99471	2.8
129.07016	2.3
131.08569	13.5
133.10138	29.3
134.05974	2.4
135.08028	5.8
135.11703	7.1
137.09650	9.6
139.11168	1.7
141.01048	3.8
143.08557	4.2
145.06366	1.9
145.10110	13.4
147.11716	14.8
149.09637	8.8
149.13234	2.9
151.11163	11.3
155.02565	2.3
155.08664	2.2
157.10158	6.2
159.11676	8.2
161.09671	2.1
161.13243	4.5
163.11194	9.4
165.12753	3.6
169.12325	1.9
171.11678	3.8
173.13324	5.3
175.11238	2.5
177.12714	3.3
185.13458	2.0
197.07301	12.6
197.13200	2.1
229.19560	2.4
233.19290	1.7
239.17876	2.9
247.20624	7.9
257.19025	7.5
275.20081	61.6
293.21118	41.5
294.10034	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	293.211
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.45518	4.5
51.49433	4.6
53.03950	29.2
53.66848	5.1
55.01876	28.0
55.05511	29.9
57.07072	4.8
65.03909	4.7
67.05512	70.1
69.07070	57.1
77.08707	5.3
79.05497	49.9
81.03416	60.0
81.07056	97.9
83.04983	15.3
83.08595	13.5
91.05486	68.6
93.07050	56.2
95.01329	13.1
95.04956	28.7
95.08623	55.3
97.06527	43.4
101.16282	5.2
105.00434	5.2
105.06400	8.0
105.07040	100.0
107.04972	23.5
107.08610	27.1
108.82058	4.7
109.06529	9.2
109.10151	12.6
111.08016	5.4
115.05478	5.2
116.22562	5.3
117.07009	15.6
119.08582	53.5
121.06543	6.5
121.10160	12.4
123.08062	14.5
131.08554	30.4
133.10138	62.1
135.08058	8.4
135.11687	22.7
145.06436	8.3
145.10144	26.3
147.11662	28.3
149.09621	17.1
149.13229	7.4
157.10091	6.3
159.11649	21.3
161.13272	7.9
163.11136	6.4
165.09068	7.5
169.10085	10.9
171.11719	7.5
177.12758	9.0
178.46548	5.6
179.14293	23.5
187.11177	15.1
195.13760	7.8
229.19855	8.4
257.19046	11.1
275.20108	88.8
293.21082	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.93401	1.7
53.03949	9.4
54.59166	1.7
55.01869	15.3
55.05516	37.3
56.83947	1.5
57.03419	6.1
57.07075	16.3
61.57645	1.9
65.03938	3.5
67.05508	62.2
69.03433	2.0
69.07072	29.8
69.60965	3.9
69.61362	11.3
71.05003	9.5
71.08631	5.9
79.05077	3.0
79.05496	41.5
81.03423	20.3
81.06593	3.5
81.07059	68.4
83.04987	14.2
83.08622	21.7
85.06541	14.0
91.05486	40.4
93.07050	47.0
95.04977	32.7
95.08611	48.0
97.02881	3.7
97.06519	10.4
97.10159	6.8
98.20859	3.7
99.04446	4.0
99.08107	2.9
105.07040	29.8
107.04948	14.0
107.08599	34.2
109.06539	13.7
109.09475	2.5
109.10167	30.2
111.04440	16.3
111.08071	7.0
113.09677	4.2
117.07004	12.7
119.08579	23.9
120.97186	1.7
121.06502	9.8
121.10145	17.7
123.04431	2.9
123.08076	16.7
123.11696	7.6
125.05975	1.9
125.09627	6.5
129.07019	4.3
131.08571	18.4
133.06522	3.0
133.10133	31.3
135.08041	7.8
135.11681	13.9
137.09625	63.5
137.13203	1.7
138.10046	2.1
139.11153	2.4
141.07036	1.9
143.08525	2.8
145.06483	2.1
145.10112	14.2
147.07982	4.5
147.11723	12.3
149.09645	13.8
149.13260	5.2
150.62872	1.7
151.11182	15.4
153.12770	2.9
155.08565	2.7
157.10155	4.0
159.08096	2.1
159.11650	9.2
161.09688	2.7
161.13252	4.9
163.11183	13.4
163.14830	2.6
165.09140	9.2
165.12785	3.6
167.10707	4.1
169.10078	3.2
169.12244	2.6
171.11682	4.5
173.09642	4.2
173.13271	8.2
175.14775	2.9
177.12692	8.3
181.12227	2.4
183.11725	4.3
187.11229	3.9
191.10730	2.0
191.14304	5.2
195.13803	2.0
197.13242	1.9
201.12721	2.6
203.08507	1.8
219.13799	3.4
223.13339	3.3
229.19545	5.8
237.11125	1.9
237.14923	1.9
239.17902	4.3
247.20491	15.4
249.12668	1.8
257.18939	10.0
265.21716	4.1
275.20074	88.6
293.21146	100.0
294.21579	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	2.3
55.01870	4.3
55.05272	2.0
55.05516	28.9
57.03422	1.8
57.07072	1.5
60.82962	1.5
67.05505	19.5
69.03424	2.6
69.07073	11.5
69.39316	1.7
70.23634	4.8
71.04983	2.3
77.34703	1.4
79.05496	48.0
81.07065	16.3
83.04974	5.2
83.08626	16.1
85.06527	1.9
87.94252	1.3
91.05474	25.9
93.07047	19.4
95.04990	3.8
95.08604	13.2
97.06514	8.3
97.10177	19.6
105.07037	29.4
107.04950	7.1
107.08598	100.0
108.08924	2.3
109.06496	5.5
109.10156	9.0
111.08028	1.7
117.07018	5.2
119.06107	1.9
119.08571	12.8
121.10145	9.5
123.08088	2.2
123.11717	1.5
125.09642	18.8
131.08534	8.9
133.10143	16.8
135.08029	3.6
135.11670	5.5
137.09621	2.0
143.08533	2.7
145.10152	10.5
145.88901	1.4
147.11696	10.8
149.09634	14.4
151.11209	2.7
157.10078	2.7
159.11679	4.5
161.13216	2.4
163.11168	3.2
171.11726	3.3
173.11739	1.7
173.13182	1.7
175.11171	2.2
177.12799	1.7
181.12265	3.2
183.11719	3.6
189.11250	17.5
189.12799	2.8
219.99826	1.8
229.19482	2.5
239.17863	4.3
247.20459	3.2
255.24551	1.5
257.18970	8.1
257.85422	1.5
275.20078	79.6
276.20453	2.2
293.21121	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03947	4.8
55.01865	8.6
55.05516	25.2
56.44420	2.0
57.03436	4.6
57.07069	3.4
62.74250	1.8
65.03942	2.3
67.05505	51.8
69.03426	3.7
69.07068	29.9
69.88329	4.0
69.88736	6.8
71.04988	8.1
79.05493	55.2
81.03423	10.1
81.07056	100.0
83.04980	8.7
83.08636	13.4
85.06538	3.9
91.05486	45.0
93.07041	38.5
95.04965	23.8
95.08604	40.5
97.06538	11.7
97.10177	7.5
99.08103	3.2
105.07028	36.6
107.04956	7.9
107.08582	31.5
107.58363	2.2
109.06509	27.6
109.10166	15.0
111.08087	8.6
115.05461	2.1
117.07037	10.8
119.08572	34.7
121.06535	4.6
121.10145	18.8
123.08070	13.7
123.11719	7.4
125.09618	6.0
129.07008	4.2
131.08548	16.5
133.10136	23.5
135.08044	9.7
135.11719	9.3
137.05989	5.1
137.09605	8.4
143.08636	2.3
145.10146	14.4
147.11710	16.3
149.09599	14.4
149.13277	5.1
151.11162	5.8
157.10118	5.5
159.11702	11.4
161.09677	2.9
161.13246	5.1
163.11147	12.6
165.12741	7.4
169.10115	2.9
171.11644	2.7
173.13252	6.3
177.12740	2.6
182.96619	1.9
183.11740	3.5
189.11230	3.2
189.12837	3.3
197.13213	2.3
201.12512	2.2
205.15999	2.7
215.17899	2.0
219.13812	2.3
219.17293	2.1
229.19505	4.9
239.17885	6.2
247.20480	5.7
257.18961	11.7
275.20062	81.8
293.21115	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	4.7
55.01873	19.4
55.05270	2.3
55.05514	28.6
57.07060	1.8
64.01849	1.8
65.03951	2.6
65.22002	1.9
67.05503	38.8
69.03401	3.2
69.07063	19.1
69.88866	3.8
69.89272	6.7
71.04975	3.9
72.04319	1.7
76.69534	1.7
79.05491	57.3
81.03422	7.4
81.07056	39.3
83.04987	8.3
83.08623	15.1
85.06554	3.1
89.79739	1.7
91.05478	38.4
93.07044	34.5
93.07572	3.4
95.04971	13.6
95.08611	25.3
97.06522	27.2
97.10175	17.7
105.06390	3.3
105.07037	35.8
107.04964	13.0
107.08598	77.4
109.06522	9.9
109.10144	11.7
111.08077	3.7
117.07016	8.7
119.08575	21.4
121.06538	4.7
121.10139	19.0
122.44896	1.8
123.08073	6.6
123.11671	3.8
125.09631	18.9
129.06992	3.0
131.08575	12.0
133.06549	2.8
133.10124	21.4
134.06030	5.3
135.08055	4.2
135.11728	8.5
137.05974	11.4
137.09601	3.2
143.08604	1.7
143.10553	1.6
144.90788	1.7
145.10161	15.5
147.11685	14.9
149.09637	20.6
149.13243	2.7
151.11191	7.1
155.08649	2.9
157.10197	2.8
159.11693	9.8
161.09566	2.9
161.13310	3.3
163.11205	7.1
165.09128	6.4
169.10167	2.5
171.10225	2.3
171.11678	2.9
173.13264	5.4
175.11307	1.7
177.12779	3.3
179.14320	2.2
183.11684	2.9
187.11220	3.6
187.14851	2.1
189.11241	10.3
189.12703	2.5
201.12805	2.1
229.19519	4.1
239.17992	3.8
247.20689	7.2
256.61987	2.0
257.18997	12.8
275.20068	100.0
276.20358	4.0
293.21066	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03946	2.5
55.01867	4.1
55.05516	13.4
56.85619	1.3
57.03450	2.3
57.07087	2.9
67.05179	2.4
67.05508	27.4
69.06725	2.3
69.07072	23.5
69.74633	8.7
70.42979	1.3
71.04978	2.8
78.83962	1.2
79.05501	14.9
81.07056	31.2
83.04973	6.0
83.08621	4.6
91.05482	17.2
93.07043	24.9
95.04974	9.2
95.08602	18.9
97.06552	3.7
97.10190	2.6
98.20834	2.9
105.07027	24.5
107.04967	5.9
107.08596	14.7
109.06514	12.9
109.10170	9.0
111.08067	2.2
117.07020	6.3
119.08582	13.7
121.06506	7.5
121.10147	6.2
123.08050	3.2
123.11705	3.5
127.34277	1.5
129.07037	2.4
131.08563	13.8
133.06526	3.1
133.10143	14.3
135.08040	4.3
135.11710	4.8
137.09612	3.9
143.08588	2.0
145.10152	11.0
147.08028	2.9
147.11703	8.9
148.74124	1.4
149.09642	5.4
149.13309	2.0
150.10042	1.3
151.11203	7.8
157.10075	2.1
159.08078	2.0
159.11691	6.0
161.09631	3.7
161.13266	5.4
163.11185	5.7
171.11742	2.1
173.09590	2.0
173.13245	4.8
175.11208	2.1
177.12750	3.4
183.11667	1.4
187.11111	2.0
189.12843	2.6
191.14310	3.5
201.12767	2.1
207.13818	2.7
211.14719	1.4
219.13834	5.9
219.17821	1.3
229.19513	2.3
236.21036	1.3
239.17856	2.4
247.20625	4.1
257.19022	12.2
275.20062	100.0
276.20435	3.3
293.21127	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	7.6
55.01880	12.1
55.05267	3.5
55.05512	36.6
57.03419	10.1
57.07065	10.5
65.03935	4.1
65.86278	2.3
67.05191	3.0
67.05510	51.6
69.03412	7.1
69.07069	40.9
69.79868	2.8
69.96834	7.1
69.97246	5.3
70.06565	2.5
71.04988	16.3
71.08633	4.5
72.08155	2.6
73.02905	2.2
74.48139	2.4
75.04487	3.3
77.03921	2.2
79.05069	3.7
79.05495	47.1
81.03414	14.4
81.07056	100.0
81.07534	5.4
83.04978	19.7
83.08618	27.9
85.02905	33.1
85.06545	10.5
87.04479	2.7
91.05477	45.9
92.05009	4.0
93.07050	45.7
95.04974	30.0
95.08611	51.4
97.06518	10.0
97.10154	10.8
98.98472	2.8
99.04462	2.7
99.08083	5.8
101.05997	3.0
105.03387	22.8
105.07032	34.3
106.06532	3.9
107.04973	12.0
107.08594	40.8
109.02896	4.7
109.06525	22.1
109.10155	30.1
111.04439	10.0
111.08044	7.5
111.11715	2.5
113.06020	10.8
115.65536	2.2
117.07005	8.7
118.06516	3.2
119.08589	28.5
120.04461	31.6
121.02880	36.3
121.06511	10.0
121.10152	20.5
122.03185	25.3
123.08062	14.1
123.11692	17.7
125.09637	8.0
127.03927	3.0
129.05472	9.3
129.06947	3.4
131.04945	3.8
131.08559	18.2
132.08038	2.6
133.06366	2.7
133.10138	25.5
134.06015	32.8
135.06395	16.2
135.08061	8.2
135.11685	8.7
137.05946	2.6
137.09630	7.9
137.13234	7.5
139.11162	2.8
141.07037	2.6
143.08565	6.1
144.08070	18.5
144.96129	2.2
145.06517	2.3
145.10161	15.3
147.04387	3.1
147.06526	2.5
147.11687	16.5
149.09659	18.0
149.13240	8.3
151.11150	9.4
151.14838	3.7
155.08571	3.2
157.10143	5.7
158.06010	18.5
159.11713	11.8
161.13229	6.2
163.11154	10.9
163.14806	3.1
165.09125	4.7
165.12724	3.0
166.75134	2.3
169.10117	3.9
171.11646	3.3
173.10826	5.0
173.13240	7.3
177.12767	2.9
183.11745	3.1
189.11266	3.9
191.14304	4.4
195.46440	2.3
215.17969	2.5
219.13782	3.0
219.17458	7.9
221.15396	4.1
229.19444	4.6
233.08099	2.9
234.08405	7.3
239.09131	4.7
239.17859	4.5
247.20598	8.5
257.19043	15.0
275.16937	4.2
275.20056	81.2
276.20065	2.5
293.08157	3.9
293.14340	2.3
293.21097	40.6
293.28064	13.2
294.16138	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1383
Annotation	CHEBI:69079
Peak:m/z	Relative Intensity
53.03936	0.4
55.01874	3.5
55.05507	1.9
57.07055	0.6
59.04975	1.0
65.03919	0.5
67.05480	1.3
67.34012	0.3
67.51114	0.3
69.07065	1.4
69.21419	0.3
71.04976	0.4
71.53188	0.4
77.03938	0.4
79.05490	2.7
81.03415	0.5
81.07056	3.0
83.04939	0.4
83.08627	0.7
85.06535	0.6
91.05476	3.2
93.07030	1.6
95.04939	1.1
95.08599	1.8
97.06528	0.7
105.03353	0.5
105.07027	4.0
107.01286	0.6
107.04935	1.3
107.08613	2.3
109.06472	0.5
109.10133	0.8
117.07016	1.6
119.04931	0.9
119.08582	4.6
120.64059	0.3
121.06482	1.2
121.10072	0.5
123.08031	0.4
123.11710	0.4
125.09611	0.5
129.07004	1.0
130.07751	0.9
131.04826	0.3
131.08545	1.3
133.06482	0.7
133.10132	5.5
134.06033	1.4
134.07738	0.3
135.04411	1.8
135.08008	0.7
135.11670	0.5
137.09636	0.5
142.07761	0.4
143.08496	0.5
145.06439	0.6
145.10126	3.5
147.04428	2.8
147.08064	2.6
147.11627	0.4
149.05940	1.0
149.09613	1.0
151.11174	0.4
155.08554	1.9
158.07269	0.8
159.04408	0.4
159.08023	0.7
159.11679	0.6
161.05952	2.1
161.09628	0.4
163.03897	0.4
165.05464	1.2
165.84451	0.3
173.09642	3.1
173.13254	0.4
175.07550	29.6
176.07913	0.9
177.05434	1.0
177.09105	0.8
179.06975	0.3
181.04951	1.3
183.08089	0.6
183.44635	0.3
186.06828	0.4
187.11119	0.5
189.05434	0.6
189.09109	8.5
191.07053	0.5
191.10677	2.0
201.09099	8.1
202.09494	0.5
203.06985	0.4
205.04988	0.4
215.10603	0.5
217.08545	1.4
219.10159	100.0
220.10541	2.7
224.00732	0.3
233.11703	4.1
241.27081	0.3
243.10210	0.6
257.18973	0.3
261.11224	89.5
262.11530	3.1
275.12830	0.4
275.16663	0.6
275.20041	2.5
293.13837	23.4
293.20914	6.9
293.28281	0.3
294.14191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.59459	1.0
51.68449	1.0
53.03930	5.3
55.01636	1.4
55.01872	20.6
55.05507	26.0
57.03431	3.4
57.07074	6.9
59.04998	2.0
60.09041	1.2
65.03930	2.3
67.05504	38.0
69.03416	4.3
69.07065	28.1
71.04999	1.6
71.08619	3.2
71.53114	1.6
79.05013	1.4
79.05491	42.5
81.03404	9.6
81.07054	43.0
83.04975	6.6
83.08620	15.0
85.02879	1.6
85.06535	3.3
91.05476	30.6
93.07035	35.8
95.04968	17.3
95.08610	29.3
97.06523	24.0
97.10165	15.2
99.08075	1.8
101.05992	1.5
103.05503	1.7
105.03368	4.7
105.07029	33.0
107.04945	11.3
107.08593	58.9
109.06516	10.1
109.10148	15.9
111.08067	5.5
113.06042	2.0
117.07000	10.6
119.08585	23.4
121.06485	7.2
121.10134	20.8
121.11018	1.4
123.04425	1.5
123.08047	6.7
123.11694	6.2
125.09632	14.0
129.06998	3.7
131.08562	13.5
133.10124	20.3
134.06030	3.2
135.08072	7.2
135.11673	11.5
137.09581	4.8
137.13217	2.8
139.11208	1.8
141.06943	1.8
141.08987	1.4
143.08549	4.0
144.08060	2.7
145.06464	1.7
145.10114	15.1
147.07997	3.3
147.11671	13.2
149.09625	17.6
149.13232	4.9
151.11163	14.4
153.09109	1.4
157.10103	4.1
158.05966	1.3
159.07993	1.2
159.11691	9.4
161.09608	1.8
161.13261	3.6
163.11186	11.8
165.09096	9.0
169.10159	2.9
171.11708	3.9
173.13225	7.1
175.11201	2.1
177.12746	4.7
179.14276	1.7
181.12286	2.3
183.11642	2.7
185.13222	1.5
187.11194	3.4
187.14793	2.0
189.09674	1.5
189.11235	6.0
189.12624	2.1
191.14206	1.5
195.13683	1.6
197.13295	2.3
201.12746	1.5
201.16370	1.4
215.18028	2.3
217.15726	1.4
223.13301	1.9
229.19508	5.2
239.17891	4.3
247.20525	8.2
257.19016	13.0
275.20062	100.0
276.20404	2.8
293.11371	1.2
293.14755	1.2
293.21091	28.6
293.28369	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.02400	1.3
53.03938	2.5
53.91513	1.2
55.01866	6.6
55.05508	16.7
57.03443	2.1
57.07066	4.7
62.08331	1.1
65.03941	2.0
67.05502	28.9
69.07067	26.4
71.04981	3.6
71.08625	1.7
71.18472	2.4
72.00926	1.3
79.05488	21.8
81.03414	4.0
81.06586	2.4
81.07053	35.5
83.04982	7.9
83.08611	5.7
85.06549	2.5
91.05471	18.4
93.07038	28.1
95.04964	10.7
95.08606	23.3
97.06531	5.6
97.10165	2.9
103.05428	1.4
103.97150	1.2
105.03391	10.3
105.07025	29.2
107.04947	5.6
107.08579	16.0
109.06509	12.6
109.10149	11.7
111.04435	3.4
111.08076	3.0
113.06019	2.7
115.05483	1.4
117.06986	6.3
119.08578	14.9
121.06507	10.3
121.10132	13.9
123.08067	4.2
123.11707	3.2
129.07004	3.8
130.06540	1.5
131.08578	15.7
133.06479	2.7
133.10121	17.5
134.06015	4.2
135.08044	3.9
135.11697	5.1
136.79308	1.4
137.02341	2.8
137.09601	4.6
143.08595	2.5
145.06506	1.7
145.10117	13.1
147.08063	2.9
147.11662	13.4
149.09569	6.7
149.13277	2.6
151.11197	7.1
155.08557	1.5
157.10164	3.8
158.05994	3.9
158.22565	1.5
159.08054	1.6
159.11661	9.4
161.09659	3.3
161.13173	2.7
163.11191	4.1
169.10179	1.6
171.11632	1.8
173.09598	1.6
173.13272	5.5
175.11186	2.8
177.12755	3.6
182.04507	4.2
183.11647	1.8
187.11134	2.4
187.14795	2.4
189.12743	2.4
191.10695	1.4
191.14363	3.7
201.12755	3.1
203.36028	1.3
206.19714	1.3
207.13835	3.6
215.14394	1.8
219.10287	6.9
219.13777	7.5
221.35901	1.4
229.19559	2.3
233.19041	1.4
237.14792	2.4
239.17918	4.0
247.20551	2.9
257.18973	18.6
261.11249	2.6
275.20056	100.0
276.20480	3.6
282.11545	1.5
293.21109	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	293.0544
Annotation	1,3-Dinitropyrene
Peak:m/z	Relative Intensity
51.42542	1.6
56.96564	53.1
57.03406	3.7
61.02888	4.2
69.03396	7.5
69.62321	12.2
70.06549	5.0
73.02876	4.6
74.97585	2.8
81.03423	2.7
81.07058	2.7
84.04453	2.1
84.08101	5.0
84.96043	14.6
85.02898	12.9
85.08459	2.1
97.02896	10.1
98.97581	100.0
99.94653	1.5
101.00859	4.3
102.97034	1.6
104.58143	1.6
109.02821	2.4
110.96854	2.4
110.97567	36.8
112.99041	4.1
115.72342	1.6
116.98618	55.2
119.01926	11.9
124.99078	4.3
125.16714	1.9
127.00592	3.2
127.03912	4.5
128.98604	45.4
130.08618	2.1
131.00098	7.9
131.01831	4.8
134.98790	2.0
134.99652	21.3
136.07535	3.0
138.68951	1.5
140.00145	3.9
140.98589	14.1
143.00171	20.0
143.01862	14.9
144.10155	2.2
144.98055	3.6
145.01704	2.5
145.03447	2.2
146.99654	28.9
149.01117	8.1
150.10909	6.3
152.98552	9.5
155.00127	2.1
155.01778	2.9
158.99640	32.2
161.01149	20.3
161.02873	47.5
161.99506	2.0
162.99045	5.1
163.02763	2.0
165.00600	4.0
167.28244	2.0
168.12111	2.8
170.99641	27.5
173.01122	5.9
173.02844	10.3
175.02675	2.2
176.99420	1.9
177.00711	27.3
179.02130	2.8
182.99643	8.6
184.02650	1.8
188.99318	1.7
189.00742	19.7
191.02193	4.9
191.03853	7.3
195.01639	3.7
200.98969	2.5
201.00691	41.4
203.02350	3.5
203.03871	14.8
207.01630	5.2
208.99590	3.6
212.04169	1.9
213.00833	1.9
219.01755	43.3
221.03160	3.7
221.05064	2.9
231.01762	1.9
233.03227	5.3
237.00548	2.7
237.02814	48.9
251.04376	81.8
255.03758	4.3
260.04263	2.3
261.02606	8.4
269.02905	2.7
269.05438	38.8
274.05960	3.9
275.06158	2.9
279.03845	8.3
293.05334	81.9
293.20374	3.9
311.06491	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	3.1
70.06563	3.2
71.50960	5.8
71.86546	2.7
84.08119	2.7
90.05782	2.9
98.97572	3.6
101.00879	5.8
107.61565	2.5
119.01864	12.3
131.01854	6.0
143.00163	4.3
143.01845	12.9
144.79433	2.7
150.10995	7.9
155.01851	4.2
161.02950	41.7
161.99525	34.2
168.12068	3.1
173.02937	7.6
186.81062	3.0
203.04024	23.5
213.48277	2.9
233.03036	3.4
233.05154	4.0
275.06363	3.0
293.06253	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.4
53.03945	2.7
55.01858	0.5
55.05516	2.6
57.03429	0.5
57.07071	1.5
60.84565	0.3
67.05502	3.7
69.07068	3.8
70.06595	0.4
71.04984	0.9
71.08640	0.9
71.52850	0.5
74.83935	0.3
77.03928	1.1
79.05500	1.9
81.03416	1.0
81.07056	6.7
83.04955	0.7
83.08617	2.5
85.02912	1.0
85.06538	0.9
91.05474	1.7
93.07050	2.8
95.04963	4.2
95.08608	5.8
97.06521	0.5
97.10148	1.2
99.08086	0.6
105.03391	100.0
105.06989	1.5
106.03734	0.9
107.04965	0.4
107.08596	2.7
109.06516	0.4
109.10167	4.5
111.04424	0.5
111.08044	0.7
111.11716	0.5
119.08588	0.9
121.02824	0.4
121.10133	1.8
123.08086	0.4
123.11731	1.8
125.09625	0.6
125.13244	0.4
129.05473	0.6
130.06554	0.6
131.08598	0.4
133.10118	0.9
135.08072	0.4
135.11703	1.2
136.07553	0.3
137.13237	0.6
139.11151	0.4
142.00974	0.3
145.10118	0.7
147.04398	0.6
147.11705	0.6
148.07571	16.1
149.07950	0.5
149.09622	0.6
149.13257	1.4
151.11159	0.6
153.09221	0.4
158.06055	0.7
159.10429	0.3
163.59895	0.3
165.16374	0.6
167.14377	0.3
173.13116	0.4
176.07077	19.7
190.05020	1.2
207.11626	0.4
275.20157	1.1
275.27463	0.5
293.08234	0.7
293.12457	0.4
293.21170	1.3
293.24911	0.7
293.28241	2.3
296.03717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05499	0.9
58.06592	0.8
60.04525	1.1
62.06073	1.5
67.05499	1.0
69.03447	0.5
69.07051	0.5
70.06596	5.2
70.87535	0.7
72.04519	4.4
72.08157	4.7
77.03909	1.0
81.03403	0.6
81.07053	0.8
83.04971	0.7
84.04482	1.1
84.08147	4.1
85.02879	0.8
85.08466	0.5
86.09707	2.0
87.12072	0.4
88.07616	2.1
91.05453	1.1
93.07030	0.6
93.54160	0.4
95.04953	1.2
95.08601	0.6
97.02882	0.5
98.07457	0.4
100.07613	29.5
105.03387	97.8
106.03726	6.6
107.04963	0.6
107.08619	0.4
110.07157	1.3
112.11235	1.5
114.09164	6.0
119.04912	0.5
120.08125	0.6
129.10208	1.6
130.06479	0.6
131.04910	1.1
131.11780	0.6
134.06012	8.2
145.02861	0.7
155.05707	0.4
156.07727	0.6
161.05684	0.6
161.10721	0.6
162.09134	100.0
163.09496	12.8
171.14880	0.6
176.10698	3.3
177.05521	1.6
202.08624	0.5
204.10231	0.5
216.57724	0.4
220.15500	0.9
227.77557	0.6
232.15169	3.0
245.42213	0.5
246.07826	0.5
247.14537	0.6
255.94215	0.4
256.19052	0.5
274.12869	1.2
275.13852	0.9
275.17535	1.8
292.17380	5.8
292.20184	75.8
293.14804	1.3
293.20541	1.9
293.96274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.9853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80754	1.7
56.96563	25.4
66.04026	1.8
67.05505	3.7
71.08846	4.3
71.58547	1.6
71.95254	4.4
79.05479	2.2
81.07042	3.5
84.96016	2.9
90.85823	1.6
98.97583	100.0
116.98621	93.0
116.99348	1.8
119.01964	2.3
128.98575	1.9
130.93312	2.3
132.98900	1.6
134.98653	3.3
134.99658	64.3
140.00107	4.1
143.00137	2.0
153.00723	12.6
158.01216	4.1
163.02704	2.8
172.94270	2.0
174.97643	3.9
175.02629	1.9
177.00903	11.0
190.95401	7.0
192.98656	9.0
203.02434	3.0
216.98695	2.3
219.01978	7.3
220.02213	2.2
232.96457	7.0
234.99783	5.5
247.01393	8.5
250.97569	6.9
251.04274	4.1
251.07896	2.1
256.96329	14.2
260.00034	2.1
261.03009	2.0
269.05377	7.6
270.03149	2.3
274.97488	96.4
278.96927	2.1
281.06207	3.2
288.04285	2.5
288.91968	2.3
292.98541	81.6
297.99097	7.5
311.06705	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	292.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
51.77306	0.5
53.03754	0.6
53.03946	7.1
55.05515	5.0
57.48508	0.6
59.04981	1.0
60.04520	0.9
65.03931	1.3
66.20845	0.6
67.05489	2.1
69.07070	3.3
70.06253	1.0
70.06590	10.4
71.04980	4.8
71.53163	1.1
79.02544	0.6
79.05473	1.8
80.05846	0.6
81.03413	12.9
81.07047	5.3
82.07385	1.9
83.08603	1.3
84.08110	0.7
84.08937	0.8
85.06552	10.4
86.02429	73.9
91.05477	1.8
93.07029	2.0
94.06547	0.6
95.04943	1.3
95.08604	3.8
96.08938	1.3
97.10150	0.6
98.97556	0.6
102.80531	0.6
104.03467	78.7
105.07028	0.8
107.04937	3.9
107.08586	1.6
108.08922	1.2
109.10143	3.2
110.10480	1.3
111.04418	1.3
113.06004	29.1
119.08559	0.8
121.02869	54.9
121.03912	1.9
121.10172	1.4
122.10438	1.3
123.11695	1.9
131.04883	0.8
131.08636	0.8
133.02892	1.2
134.05983	0.8
135.11707	1.6
136.12088	1.0
149.13301	1.0
152.07071	1.6
153.92848	0.6
157.06474	1.5
168.07324	0.8
173.06168	0.7
177.05466	0.8
179.05679	0.7
180.06558	100.0
181.06941	0.8
190.03137	0.7
191.62135	0.7
196.73199	0.7
201.05511	1.7
260.09134	1.4
274.18488	0.7
289.16791	0.7
292.11786	22.3
292.15244	1.2
292.19540	0.7
292.27097	2.7
293.07861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03936	5.8
55.01863	2.0
55.05510	20.3
57.07069	5.2
57.94864	1.2
59.04997	1.5
65.03957	1.5
67.05505	40.1
69.07063	20.5
70.97733	2.2
70.98070	1.8
72.23199	1.2
77.75965	1.2
79.05491	61.0
81.07055	51.8
83.04980	3.1
83.08611	10.0
85.06544	4.4
85.17293	1.1
91.05477	25.2
93.07043	97.3
95.04978	9.8
95.08601	40.8
97.06513	4.5
97.10167	5.7
99.08080	1.9
105.04492	1.6
105.07033	18.5
107.04942	1.5
107.08591	64.8
108.47067	1.2
109.06520	16.0
109.10154	19.3
111.08073	1.8
117.07014	5.0
119.08571	15.9
119.86198	1.3
121.10137	46.7
123.08053	4.2
123.11693	6.3
125.09635	2.4
131.08553	8.2
133.10143	17.1
135.08054	2.5
135.11684	54.7
137.09616	3.4
139.11220	1.5
143.08551	2.8
145.10146	8.8
147.11694	13.0
149.09651	3.4
149.13251	42.1
151.11145	2.3
157.10170	3.9
159.11720	6.6
161.09612	1.4
161.13266	12.1
163.11176	4.0
163.14806	10.4
165.12741	9.1
171.11708	3.9
173.13274	2.9
175.11174	2.5
175.14821	5.8
177.12749	3.7
177.16428	1.5
181.12195	1.8
185.13269	4.2
185.14934	1.3
189.12791	2.4
195.61731	1.4
199.14746	3.1
203.14293	1.9
209.15385	2.5
217.15845	1.6
217.19492	2.8
218.21962	1.4
221.15324	2.6
231.17476	2.2
233.15269	1.6
235.17027	6.0
241.19562	5.5
249.18530	4.3
259.20557	8.5
291.19922	4.9
291.23187	100.0
292.23633	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	291.2682
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
50.64757	1.1
53.03939	3.2
54.00710	1.1
55.01862	4.6
55.05275	2.2
55.05513	27.0
56.64014	1.1
57.03416	2.2
57.07073	10.9
65.03923	1.6
67.05505	30.0
69.03418	5.1
69.07069	91.9
69.24120	1.1
69.82504	1.0
69.97139	1.0
71.04978	3.8
71.08614	3.9
71.18608	2.7
74.37202	1.5
79.05492	15.2
81.07057	100.0
83.04967	2.6
83.08624	19.6
85.06545	14.8
91.05475	7.6
93.07042	32.5
95.04966	3.5
95.08609	84.5
96.40863	1.2
97.06536	9.0
97.10175	10.5
99.08084	5.3
105.07033	10.3
107.08593	40.7
109.06512	2.8
109.10159	63.3
111.07376	1.0
111.08080	29.6
111.11721	16.5
116.00871	1.1
117.06960	1.4
119.08571	9.1
121.09331	2.0
121.10143	26.1
123.11706	42.7
125.09646	9.0
125.13266	2.1
127.11150	1.3
131.08513	1.8
133.02875	1.9
133.10126	6.0
135.11687	24.2
137.13245	21.2
139.11179	13.1
145.10114	1.4
147.11690	5.6
149.13257	21.8
151.03851	1.4
151.14771	5.5
153.12764	8.2
159.11734	1.3
161.13283	6.4
163.14813	13.1
167.14336	3.4
175.14832	2.6
177.16362	10.4
179.14287	1.9
179.18001	1.4
189.16365	2.4
191.17960	4.3
193.19461	1.5
195.17502	1.9
203.17952	2.3
205.19514	2.4
217.19501	3.6
235.20560	2.6
247.24202	2.7
273.15054	3.2
273.23196	1.2
273.25812	8.4
291.26810	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	292.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80306	2.9
52.10382	3.3
55.01850	5.8
55.05505	6.0
63.47473	3.2
67.05511	7.0
69.03445	5.4
69.07070	4.2
69.24234	27.5
69.24636	9.9
70.06594	8.4
72.00883	4.6
72.08163	7.9
77.03915	10.0
79.05501	11.8
79.16662	3.7
81.03416	10.1
81.07056	10.0
82.03738	7.3
84.04500	7.3
84.08114	3.7
91.05487	8.8
93.07049	9.7
95.04974	5.6
97.06538	47.8
101.31313	3.0
103.05457	3.5
104.95041	3.1
105.03394	10.4
105.07005	4.2
107.04953	9.1
107.93374	3.5
109.02863	3.4
109.06496	3.7
109.10165	3.6
115.05441	4.6
117.07032	4.1
119.04872	5.4
121.02089	4.1
121.02845	16.9
122.05947	3.3
129.07011	4.5
131.04910	11.0
131.08566	6.3
133.02864	66.5
134.03661	7.1
135.04414	45.1
141.07091	3.4
144.05630	3.7
145.02803	8.7
145.06511	5.0
145.10132	7.8
147.04416	12.6
148.04742	9.5
149.02316	3.6
149.05930	4.1
151.03905	97.1
152.04227	3.8
153.07022	7.7
155.08559	19.0
157.06471	5.2
158.07254	10.2
159.08092	5.6
163.03879	9.6
165.07034	12.4
173.09642	6.7
175.11163	6.7
177.05481	16.6
178.05020	40.4
183.08069	7.8
185.09541	4.6
201.09122	50.5
211.07567	18.5
219.10159	4.0
229.08606	100.0
241.65167	3.5
246.11267	6.8
247.09685	66.2
263.70193	3.5
265.10721	7.4
274.07135	4.5
274.10715	10.2
274.15057	5.3
292.09021	8.4
292.19577	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	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.26019	1.8
53.03952	5.3
53.87561	1.7
55.05514	18.5
57.07080	2.1
58.60204	1.7
61.16137	1.7
65.03950	1.7
67.05180	2.9
67.05508	38.3
69.07070	17.7
70.33844	6.1
73.82738	2.1
79.05493	73.8
81.07056	44.7
83.08624	7.6
85.06551	3.4
91.05472	21.4
93.07042	100.0
95.04970	7.0
95.08610	37.4
97.10175	4.7
103.28023	2.0
105.04576	2.2
105.07020	16.6
107.08592	52.6
109.06542	2.1
109.10165	16.2
117.07010	2.3
119.08580	14.2
121.10139	46.8
123.11680	3.5
129.07018	2.9
131.08569	5.6
133.10133	13.8
135.08089	2.5
135.11691	55.7
143.08586	4.4
145.10135	3.6
147.11650	9.9
149.09637	4.0
149.13255	35.9
159.11664	3.1
161.13214	8.9
163.11272	2.4
163.14838	12.4
171.11623	3.0
173.13174	2.7
175.14844	7.6
177.12715	2.1
177.97548	1.8
185.13248	3.5
189.12773	2.6
203.14574	1.9
215.54424	2.2
217.19479	2.3
235.17024	2.2
240.58009	1.8
241.19589	7.5
249.18562	3.0
259.20538	11.6
269.06442	1.8
291.19870	4.0
291.23172	59.6
292.23730	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.02393	1.0
52.34726	0.8
53.03939	1.6
55.01629	1.3
55.01878	18.5
55.05513	10.4
56.05033	1.8
57.03439	17.1
57.07080	1.2
58.06587	0.9
64.52458	0.8
65.03935	2.1
67.05511	21.6
69.03425	2.0
69.07082	4.6
70.50081	1.3
70.50437	2.1
71.08627	0.8
72.61257	0.8
74.06066	2.0
75.06407	1.0
78.98274	0.7
79.05502	31.8
81.07063	16.6
83.04990	1.2
83.08628	4.4
85.06560	3.9
88.07631	5.7
89.07976	2.6
91.05489	24.5
93.07048	17.7
95.04978	24.4
95.08613	7.1
97.06517	1.8
97.10151	1.1
103.05444	1.8
105.06374	0.8
105.07029	15.0
107.04964	11.0
107.08601	21.5
108.07756	0.8
109.06525	67.9
109.10191	3.9
111.08065	1.9
115.05454	2.7
116.06248	2.4
117.07026	10.3
119.06082	1.6
119.08572	7.1
121.06517	3.6
121.10157	3.7
123.08109	2.6
128.06163	0.9
129.07005	5.7
131.04970	1.1
131.08589	12.5
133.06479	2.7
133.10135	4.1
135.08063	100.0
135.11613	4.3
140.85854	0.9
143.08559	6.5
145.06483	1.1
145.10144	10.1
147.08000	4.4
147.11748	1.4
149.09637	7.0
149.13223	2.1
157.10130	5.3
159.08049	2.0
159.11679	5.5
161.09601	7.8
163.11185	2.3
171.11708	2.9
173.13254	2.2
175.11214	2.4
177.12718	1.4
183.11719	1.3
185.09583	1.2
185.13245	2.8
195.11722	1.3
195.13797	1.3
197.13347	1.0
199.11137	1.1
199.14839	3.7
201.12785	2.4
217.15886	17.8
219.13774	1.1
227.17993	1.2
237.16467	1.7
242.24780	1.3
243.25165	11.8
245.18979	2.1
255.17444	2.2
273.18494	21.2
291.19571	39.5
291.27216	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03955	4.0
53.20557	1.6
55.01874	19.4
55.05509	19.9
57.03442	18.2
57.07072	2.2
62.95464	1.7
65.03933	5.5
65.53423	1.6
66.58862	1.7
67.05508	69.9
69.03420	5.8
69.07069	12.0
70.16998	4.5
70.17396	3.4
71.05004	3.3
74.40872	1.8
79.05491	48.3
81.03410	6.5
81.07053	37.2
83.04982	10.1
83.08619	5.2
85.06528	4.3
91.05482	36.4
93.07040	31.9
95.04964	100.0
95.08619	14.5
97.06543	6.9
97.10163	2.1
101.46434	1.6
103.05457	3.5
105.07022	29.4
105.42793	1.8
107.04958	24.9
107.08593	25.0
109.06509	59.7
109.10166	5.0
111.08086	3.2
111.22707	1.6
113.06026	1.9
115.05482	4.3
117.07014	15.4
119.06048	1.9
119.08563	15.6
121.06554	9.3
121.10108	8.8
123.08094	4.6
128.06190	2.2
129.06996	9.7
130.07860	2.2
131.08556	21.8
133.06512	3.5
133.10139	9.9
133.10980	1.9
135.08051	88.3
135.11694	7.2
137.05966	4.2
137.09669	2.5
141.06886	1.7
143.08569	10.5
145.10097	12.7
147.08015	10.8
147.11678	5.9
149.09644	10.2
149.13260	2.5
157.10153	8.6
159.08031	2.7
159.11729	6.0
161.09618	10.3
163.11203	4.2
165.12709	2.2
171.11673	3.9
173.13300	3.1
175.11159	3.7
177.12697	5.2
180.06474	1.9
182.09631	1.9
185.13220	3.8
187.11208	2.0
189.12793	2.1
201.12781	2.6
205.12215	2.7
207.33345	1.9
217.15854	13.6
227.17990	3.2
245.19037	4.8
255.17633	3.2
270.11447	1.9
273.18515	35.5
291.14124	2.7
291.19534	55.9
292.19952	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	291.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21580	0.7
53.03932	2.2
55.01875	22.8
55.05511	9.5
56.05033	2.0
57.03437	16.6
57.05371	1.4
57.07065	1.9
58.06586	1.3
65.03937	2.8
67.05506	23.8
69.03416	2.6
69.07074	5.1
69.74529	4.3
69.74929	1.6
70.28604	0.7
71.04995	1.8
71.08611	0.8
72.29432	0.7
72.63055	0.9
72.94622	0.7
74.06080	2.2
74.41064	0.7
75.06390	0.9
79.05494	38.7
81.03416	1.6
81.07057	17.8
83.04988	1.9
83.08627	2.5
85.06544	3.8
88.07634	6.9
89.07942	2.3
89.51858	0.8
91.05484	31.8
93.06493	1.1
93.07047	19.6
95.04374	1.4
95.04970	21.3
95.08619	9.4
95.44830	0.9
97.06537	2.6
97.10175	1.3
98.20821	0.9
99.04405	1.1
99.08088	0.9
103.05449	1.5
105.07040	14.8
107.04963	12.2
107.08591	22.6
109.06520	68.5
109.10145	3.4
111.08086	1.5
113.06047	1.3
113.09623	0.9
115.05470	2.4
116.06258	1.4
117.07014	11.9
118.08634	0.9
119.04945	0.8
119.08547	6.4
121.06503	2.6
121.10126	4.5
123.08060	2.3
128.06261	2.0
129.07004	6.0
131.04988	0.9
131.08557	13.3
133.06500	1.9
133.10144	4.8
135.08054	100.0
135.11681	3.4
141.06958	1.8
142.07803	1.4
143.08553	7.0
145.10123	8.3
147.08028	3.8
147.11688	2.3
148.08752	0.8
149.09616	6.3
149.13252	0.9
155.08511	1.0
157.10124	5.3
159.08078	2.4
159.11687	5.2
161.09601	8.2
162.95612	0.8
163.11200	3.2
163.41142	0.8
169.10190	0.9
171.11714	2.6
173.13283	1.4
175.11232	1.5
177.12761	2.4
183.11685	1.3
185.09731	0.9
185.13240	2.2
195.11707	1.0
199.11189	1.2
199.14809	3.6
201.12755	1.8
201.46303	0.8
217.15875	18.2
219.13780	1.9
227.17990	1.2
237.16376	1.5
242.24892	1.3
243.25122	10.8
245.18991	1.8
255.17410	2.3
273.18481	19.8
291.19550	42.1
291.27182	30.0
291.30508	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	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.02369	0.2
53.03941	0.7
55.01877	2.2
55.05511	7.6
57.03422	0.2
57.07057	0.3
58.43106	0.2
59.04990	0.3
63.07615	0.2
65.03931	0.4
66.09644	0.2
67.05173	0.4
67.05505	4.1
69.03419	0.9
69.07070	2.9
69.97966	0.9
71.04978	0.8
77.03915	0.3
79.05492	6.0
81.03410	1.0
81.07057	5.3
83.04974	1.1
83.08619	3.4
91.05481	6.0
92.06292	0.2
93.06489	0.4
93.07044	5.4
94.04202	0.3
95.04979	2.8
95.08601	2.0
97.06519	0.5
97.10178	2.9
97.11522	0.3
103.05486	0.5
105.03395	0.3
105.07034	5.6
107.04956	2.5
107.08599	3.4
108.05746	0.4
109.06514	0.8
109.10123	0.9
111.08096	0.3
115.05398	0.5
116.06260	0.5
117.07030	2.3
119.04940	1.4
119.08587	4.6
120.05746	0.9
121.06508	1.6
121.10135	1.5
123.08073	0.7
125.09634	1.4
125.83862	0.2
128.06227	0.3
129.06990	1.5
130.07785	0.7
131.08569	2.7
133.06488	3.0
133.10115	1.0
134.07291	1.2
135.08066	1.3
135.11664	0.4
143.08577	1.1
145.06480	0.4
145.10121	2.1
147.08051	3.6
147.11732	0.3
149.09599	1.1
157.10130	0.7
159.08087	0.3
159.11719	0.5
161.09666	1.3
162.10362	1.3
163.11145	0.7
165.09094	0.4
169.10124	0.3
171.11690	0.4
175.11201	0.9
185.46223	0.2
189.11240	0.4
223.13181	0.5
236.14032	0.3
245.18999	0.3
249.14873	2.2
261.14871	0.4
262.15720	0.5
273.18524	2.6
283.76584	0.3
291.19537	100.0
292.19897	1.8
306.01801	0.2
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	Ecklonialactone A
Peak:m/z	Relative Intensity
50.39964	0.6
53.03933	1.4
55.01874	4.1
55.05275	0.8
55.05515	12.2
57.03442	1.0
65.03944	0.6
67.05504	10.7
69.03429	1.4
69.07069	4.7
71.04977	1.1
71.53461	0.7
79.05497	12.3
81.03423	3.4
81.06591	0.8
81.07052	11.7
83.04994	2.2
83.08624	4.4
87.50071	0.6
91.05482	9.3
93.07044	11.6
95.01351	1.2
95.04973	9.8
95.08608	6.7
97.06512	1.2
97.10178	3.7
101.05930	0.7
103.05454	0.7
105.04485	0.8
105.07037	7.9
107.04967	6.0
107.08606	5.9
109.06548	1.6
109.10147	2.0
115.05432	1.1
117.07009	4.7
119.04918	1.4
119.08579	7.7
121.06511	3.0
121.10136	2.7
121.10933	0.6
123.08069	2.6
125.09604	2.0
129.06975	1.8
131.08543	4.8
133.06487	4.6
133.10132	2.1
134.07275	1.5
135.08047	2.8
135.11690	1.8
137.09557	1.1
142.07855	0.8
143.08568	1.9
145.06468	0.8
145.10147	4.3
147.08037	6.8
147.11652	1.1
149.09624	2.5
149.13292	1.0
154.07748	0.7
155.08455	0.7
157.10040	1.6
159.08009	0.6
159.11707	1.2
161.09631	2.1
162.10338	1.0
163.11137	0.8
165.09076	1.0
171.11671	1.5
175.11212	0.9
177.12747	0.8
179.08499	1.3
181.06459	2.3
185.13269	1.2
189.11211	1.0
189.12805	1.3
193.10194	1.0
195.08157	0.8
195.11693	0.7
202.07729	1.4
203.08618	0.7
204.09283	0.7
205.10164	1.3
217.10031	1.4
219.07916	0.7
219.11624	0.8
220.08702	0.8
221.09596	0.9
223.13306	1.4
227.18005	0.8
230.10866	1.0
231.07944	1.4
232.08784	1.2
233.09616	2.2
235.11230	0.7
245.09619	2.4
245.13257	1.0
246.10364	0.8
247.11102	1.9
248.08308	2.0
248.11755	1.3
249.09079	1.7
249.12640	1.1
249.14818	3.1
255.17477	0.9
261.12497	0.9
263.10736	1.3
263.14276	1.4
273.09100	0.9
273.12695	0.7
273.15765	0.9
273.18521	6.7
276.11487	1.5
276.14612	2.1
281.59448	0.7
291.10248	3.7
291.13843	12.9
291.19562	100.0
292.10983	0.7
292.19855	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	291.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.3
53.03954	0.3
55.01848	0.4
59.04987	0.5
60.88153	0.3
68.78081	0.3
69.03447	0.3
69.07063	0.3
69.97655	1.5
70.06591	1.9
72.08147	0.9
77.03941	0.4
79.67545	0.2
81.07056	0.3
84.04520	0.6
84.08135	4.3
85.02865	0.4
86.09685	0.9
93.06989	0.3
95.04964	1.0
98.20818	0.4
100.07621	0.7
105.03384	75.1
106.03739	0.8
114.93668	0.3
129.05450	0.4
130.08641	0.8
134.06012	5.8
149.62744	0.3
161.05913	0.3
162.09129	100.0
162.12698	1.7
163.09473	1.8
199.12340	0.6
203.06885	0.4
231.14903	22.4
232.15173	0.5
273.12302	2.4
291.17010	39.9
292.11398	0.3
292.17319	1.3
292.20248	0.8
308.58115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.16560	2.6
53.03931	11.0
53.73344	2.5
55.01878	12.9
55.05270	3.9
55.05511	58.8
56.96553	3.4
57.03425	9.1
57.07066	4.6
59.04997	6.5
65.03926	6.5
65.24101	2.5
67.05145	2.5
67.05504	53.1
69.03416	10.6
69.07069	37.9
70.77747	8.7
71.04981	11.8
79.05493	84.4
81.03409	3.9
81.07057	97.2
83.04955	10.7
83.08607	25.9
85.06529	6.1
91.04899	5.1
91.05477	96.2
93.07043	93.7
95.04937	17.1
95.08062	4.9
95.08608	60.6
97.06540	16.4
97.10170	17.8
103.05445	5.4
105.03374	3.6
105.07033	82.9
107.04954	16.9
107.08604	46.4
109.06520	18.9
109.10168	15.0
111.08080	38.2
115.05434	12.0
116.06227	3.0
117.07021	55.3
119.04914	4.0
119.08584	66.3
121.06506	19.7
121.10138	32.4
122.07204	2.5
123.08071	31.6
123.11742	4.4
125.09615	11.4
128.06239	16.2
129.07007	29.0
130.07784	8.7
131.07602	5.3
131.08572	100.0
133.06482	16.9
133.10138	31.3
135.08063	12.5
135.11687	20.0
135.66568	2.7
137.09625	4.2
139.11197	11.8
141.06985	6.7
142.07764	6.4
143.08554	64.7
144.09320	3.4
145.06439	3.3
145.10127	91.2
147.08078	24.3
147.11717	13.5
149.09627	15.8
149.13255	3.5
151.07539	69.0
153.09146	4.1
154.07797	3.5
155.08527	4.9
157.10167	22.0
159.08096	7.3
159.11693	24.1
161.09641	21.0
161.13210	4.3
163.11166	7.7
169.10101	8.5
171.08136	3.5
171.11664	14.2
173.09805	2.4
173.13286	5.4
175.11172	10.1
179.10571	3.9
181.10150	7.2
181.12253	3.2
183.11665	7.9
185.13277	6.9
189.11211	5.7
189.12744	20.3
192.11340	4.4
193.12212	3.8
195.11690	10.1
197.11743	10.9
199.11166	3.9
207.13834	43.1
209.13190	3.3
213.16150	3.2
227.17914	7.2
237.16335	5.6
245.18938	6.5
249.14767	5.2
254.62668	2.8
255.17384	16.0
263.19974	4.4
273.15417	4.5
273.18494	61.8
273.25125	2.9
273.28235	3.1
291.16254	4.1
291.19513	78.3
291.26645	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	291.159
Annotation	3-Polyprenyl-4,5-dihydroxybenzoate
Peak:m/z	Relative Intensity
53.03938	2.1
55.01873	2.8
55.05508	16.9
57.03436	2.2
57.07085	8.2
63.91761	1.3
65.03944	2.4
67.05173	2.4
67.05505	26.9
69.03430	8.9
69.07070	42.5
70.06602	2.7
71.04996	5.7
71.08633	3.9
71.53329	2.1
77.03919	3.5
79.05490	17.8
80.55469	1.3
81.03420	2.4
81.07056	75.4
83.04967	5.8
83.08621	17.0
84.04501	2.5
84.08170	2.2
85.02917	3.6
85.04810	1.3
85.06548	11.8
91.05481	16.1
93.06487	2.4
93.07050	37.1
95.04967	9.9
95.08604	60.4
97.02931	2.5
97.06528	7.4
97.10175	9.8
99.04459	4.1
99.08097	5.9
103.05473	1.4
105.03383	6.7
105.07025	20.0
107.04966	8.1
107.08588	34.9
107.19830	1.5
108.14595	1.5
109.02874	5.0
109.06505	5.0
109.10158	48.0
111.08083	9.4
111.11723	8.8
111.46417	1.3
115.05473	1.9
115.07632	1.5
117.07027	5.0
119.04986	2.3
119.08578	13.7
121.06509	2.8
121.10145	27.1
123.04414	2.9
123.08080	3.5
123.11705	27.0
125.09628	5.8
125.13243	1.9
127.03947	2.0
127.07578	1.6
129.07027	2.7
131.08568	9.4
133.02852	35.5
133.06480	4.9
133.10129	10.1
135.04428	15.8
135.08078	2.1
135.11674	21.4
137.13243	8.6
139.11180	7.6
143.08534	2.4
144.05698	2.6
145.06506	4.1
145.10100	5.1
147.04424	7.4
147.08083	4.6
147.11725	9.3
149.02353	1.5
149.05977	2.7
149.09590	3.3
149.13235	19.0
151.03897	33.1
151.11249	1.8
151.14787	2.9
153.12706	3.1
157.10208	3.6
159.08067	6.9
159.11700	4.1
161.06006	3.2
161.09656	6.3
161.13257	4.9
163.11198	2.6
163.14815	13.0
165.05539	1.9
165.12836	2.0
167.03383	3.2
167.07063	7.5
167.14340	3.0
171.08022	3.2
171.11682	1.8
172.07567	1.7
173.05962	2.2
173.09662	2.4
175.07565	5.6
175.14830	3.4
177.09099	11.5
177.16408	7.2
181.16022	1.5
185.05995	1.8
185.09711	2.8
185.13289	1.6
187.07532	6.3
189.05453	1.5
189.09167	3.6
189.12755	1.6
189.16348	2.4
191.06989	1.7
191.17950	4.2
199.07687	1.7
203.10666	12.0
203.18083	2.6
205.19559	2.0
217.08733	1.8
217.19446	2.8
227.14488	1.7
231.10202	4.3
231.13734	2.2
233.15141	1.6
247.24252	3.5
249.58110	1.6
255.13812	6.3
273.14853	100.0
273.18185	4.7
273.25702	6.6
274.14883	4.5
291.06583	2.8
291.10272	1.5
291.15900	34.9
291.19531	7.7
291.26788	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.159
Annotation	Pycnanthuquinone C
Peak:m/z	Relative Intensity
52.26608	0.9
53.03936	1.9
55.05508	4.8
55.51484	1.0
57.07035	1.5
65.85121	0.9
67.05507	8.3
69.03418	4.1
69.07069	9.4
69.23825	6.2
69.24242	3.6
71.04984	2.3
77.03921	4.4
79.05488	6.0
81.03399	1.8
81.07053	16.9
83.08604	3.2
85.06541	2.5
91.05474	6.8
93.07040	7.8
95.04955	3.4
95.08610	16.6
97.06509	2.5
97.10162	1.6
99.08098	1.9
99.08690	0.9
101.63290	1.0
105.03403	2.7
105.07034	4.0
107.04941	6.2
107.08592	10.9
109.02818	1.4
109.06503	2.0
109.10146	12.0
111.08093	3.0
111.11687	1.0
115.05417	1.0
117.07040	1.5
119.08582	4.3
121.02789	1.0
121.06481	2.2
121.10146	8.1
123.08057	1.8
123.11691	7.9
125.09623	1.0
129.07027	1.2
131.00220	1.0
131.04906	1.3
131.08528	4.5
133.02852	34.4
133.06467	3.1
133.10110	3.8
135.04413	16.7
135.07979	1.1
135.11731	5.5
136.11136	0.9
137.09535	1.1
137.13286	2.5
139.11201	2.0
141.07027	1.2
144.05730	2.5
145.06502	1.9
145.10127	1.1
147.04428	5.4
147.08044	2.1
147.11684	2.7
149.05971	3.0
149.09625	1.8
149.13257	3.5
151.03900	38.7
151.05138	2.0
159.08063	6.0
159.11699	1.2
161.06023	1.4
161.09613	6.2
161.13298	1.7
165.05453	1.3
171.08063	2.3
173.09653	2.3
175.07578	4.1
177.05476	1.2
177.09090	12.1
177.16364	2.0
185.09619	4.0
187.07558	4.0
189.05434	1.1
189.09096	1.3
191.17946	1.4
199.07637	1.6
201.09142	1.8
203.10622	9.7
203.18036	1.3
209.29881	1.1
213.09132	1.5
213.12733	1.3
227.14336	2.4
231.10234	1.3
245.15154	1.0
255.13728	5.8
259.02893	1.0
273.14844	100.0
273.25690	1.9
274.15176	4.3
291.15924	38.4
291.19171	2.2
291.26721	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	291.1589
Annotation	Pycnanthuquinone C
Peak:m/z	Relative Intensity
55.01857	1.5
55.05503	3.7
65.03906	1.2
67.05495	3.9
69.03420	4.9
69.07054	3.1
70.06596	2.9
70.34634	2.2
70.34998	2.5
71.04983	3.7
77.03919	5.1
79.05479	5.3
81.03416	3.4
81.07053	4.7
83.04992	2.0
83.08623	1.4
84.04480	1.9
84.08142	3.5
85.02894	2.3
85.06533	2.1
86.09708	2.0
87.21658	1.2
91.05453	5.7
93.07043	4.4
95.04967	4.4
95.08596	4.5
97.02908	1.6
97.06517	1.9
100.11234	2.4
103.05455	1.5
105.03399	9.6
105.07027	3.0
107.04955	5.7
107.08581	4.2
109.02897	1.7
109.06512	2.0
109.10131	4.4
115.05434	1.8
117.07001	2.1
119.05013	1.4
119.08567	3.8
121.06509	2.5
121.10136	3.5
123.04419	2.7
123.08050	1.3
123.11703	2.8
125.09829	1.1
127.03875	1.5
129.07005	2.1
130.06551	8.8
131.04942	1.4
131.08578	6.0
132.08081	4.5
133.02850	36.1
133.06511	4.2
133.10135	2.3
135.04408	19.4
135.08000	1.0
139.11116	1.8
143.08446	1.6
144.05714	3.3
145.06485	2.6
146.06017	1.5
147.04420	8.8
147.08055	4.5
149.05934	2.2
149.09665	2.3
151.03903	36.8
152.04266	1.2
155.03311	1.3
157.06529	2.0
159.08136	5.9
159.09164	5.9
161.06009	3.2
161.09610	8.0
162.09126	2.5
170.06012	3.1
171.08052	2.7
173.05943	1.8
173.09671	3.0
175.04056	1.2
175.07593	6.1
177.05489	1.4
177.09094	13.5
184.07611	1.8
185.07085	3.1
185.09633	5.5
187.07579	4.8
187.11064	1.9
188.07120	4.2
189.09125	3.4
203.10638	14.0
207.10188	2.1
209.07106	1.1
213.09166	2.1
219.06589	1.3
219.10152	1.5
227.08154	4.1
227.14340	3.3
228.10352	1.4
231.06633	1.3
231.10220	1.3
245.09239	6.3
245.13014	1.3
247.18147	4.6
255.13873	4.9
273.14856	100.0
274.10782	1.6
274.15213	2.4
291.08948	2.5
291.13284	3.2
291.15955	42.6
291.19400	2.1
292.16095	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1226
Annotation	4,5-Dimethoxy-3,3',4'-trihydroxybibenzyl
Peak:m/z	Relative Intensity
53.03927	0.6
55.01862	1.0
55.05521	2.7
57.07059	1.3
59.01695	0.4
65.03918	0.5
67.05509	3.6
69.03424	0.6
69.07068	4.4
71.04998	7.3
71.08636	0.7
78.04724	2.7
79.05479	2.4
81.03424	0.6
81.06590	0.5
81.07058	7.5
83.04997	1.9
83.08626	2.0
84.04526	0.4
85.02869	0.5
85.06529	1.4
91.05482	3.3
92.47314	0.4
93.07052	3.3
95.04963	7.6
95.08610	7.5
96.05733	0.5
97.06517	1.0
97.10162	1.3
99.04457	17.2
103.05405	0.6
105.03400	0.5
105.07028	3.3
106.04176	1.5
107.04971	1.1
107.08597	3.3
109.06510	1.1
109.10152	3.8
110.44685	0.3
111.08061	1.4
115.05442	1.1
116.06248	0.5
117.06997	1.2
118.04129	0.5
119.04957	1.2
119.08578	1.5
121.06570	0.7
121.10143	2.4
123.04430	6.5
123.08032	0.6
123.11693	2.7
124.05197	2.0
125.06001	13.3
125.09591	0.5
126.05467	0.3
128.06190	0.7
129.06996	1.1
130.04045	0.4
131.04906	1.1
131.08557	1.1
133.02806	0.6
133.06503	1.2
133.10107	1.0
135.04440	0.5
135.11697	2.1
137.05946	1.0
137.13243	1.2
139.11163	0.6
141.06992	0.7
142.07800	0.9
143.08542	0.7
144.05740	0.5
145.06485	1.7
145.10118	0.9
146.03632	0.4
147.04396	1.3
147.08063	0.4
147.11682	1.2
149.09581	0.6
149.13255	1.5
151.03870	2.4
151.14832	0.7
152.04698	1.8
152.06175	0.5
153.06996	0.9
153.12827	0.5
155.08530	0.5
157.06470	1.2
159.08075	0.5
161.06000	1.9
161.09695	0.7
161.13226	0.8
163.14818	0.9
165.07201	0.4
167.07040	100.0
168.06015	0.4
168.07411	1.5
169.06508	0.7
170.07304	0.7
171.07991	1.0
172.05194	0.9
172.23276	0.4
173.05963	1.5
175.03903	1.4
175.07520	0.5
175.14751	0.5
176.04707	0.5
177.05586	0.4
177.16406	0.4
178.06343	0.4
181.05002	0.5
181.06487	0.8
183.08041	0.5
185.09624	0.7
187.07597	0.8
189.05498	2.6
189.09055	0.9
190.06253	0.5
191.07039	4.5
191.17976	0.5
193.08655	2.2
195.08127	0.9
197.05878	0.5
198.06770	2.6
198.32732	0.4
199.03813	0.4
199.07561	1.4
201.05481	1.3
205.08574	0.9
207.06551	1.0
212.08279	0.7
213.09061	4.2
215.06970	0.6
216.07726	0.8
217.04977	0.4
217.08635	0.6
217.19421	0.5
218.05743	1.0
226.06248	0.9
230.09216	0.5
231.10228	3.3
233.08066	8.3
241.08609	5.2
245.11771	2.3
247.24323	0.5
249.11357	0.6
258.08838	1.8
273.06229	0.6
273.11218	11.6
273.14764	2.0
273.18060	0.7
273.25775	1.1
291.12360	10.0
291.15884	1.3
291.19528	1.4
291.23401	0.8
291.26660	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05502	0.4
53.03945	1.3
55.01869	4.1
55.05511	11.1
55.78712	0.5
56.96591	0.5
57.03424	1.7
57.07077	7.6
58.06588	1.1
58.07400	1.9
59.04988	0.8
60.36044	0.4
60.47411	0.4
65.03937	1.3
67.05503	10.8
69.03419	3.1
69.07072	6.1
70.06592	13.4
71.04993	9.1
71.06927	3.4
71.08635	2.2
71.11605	1.0
71.11964	0.4
72.08941	0.6
74.29927	0.4
78.04695	2.1
79.05492	17.3
81.03435	2.6
81.07056	20.6
83.04541	0.5
83.04969	3.0
83.08619	4.6
84.04484	1.0
84.08150	0.6
85.02911	0.7
85.10179	0.6
86.54683	0.4
88.07628	16.4
89.07436	0.8
89.07944	4.9
91.04921	0.6
91.05482	10.8
93.07049	12.2
95.04369	0.8
95.04967	15.5
95.08609	10.1
97.06526	1.6
97.10162	4.2
99.04454	17.7
99.08092	0.6
102.09180	10.0
103.05479	1.5
103.09504	3.4
104.06216	0.6
105.03377	1.2
105.04534	0.6
105.06392	0.9
105.07031	10.1
106.04186	1.6
107.04969	5.7
107.08591	7.7
109.06517	3.8
109.10146	4.2
111.04453	0.9
111.08083	1.1
115.05463	1.7
116.06261	0.6
117.07010	7.0
118.04208	0.5
119.04950	2.3
119.08574	15.2
121.06506	5.1
121.10137	4.5
122.03661	0.5
123.04429	5.9
123.08064	9.2
123.11714	2.1
124.05193	2.0
124.06017	0.4
125.05991	14.1
125.09618	5.5
125.49230	0.5
128.06203	0.7
129.07021	3.9
130.07811	0.8
131.04942	0.6
131.08592	6.6
133.06490	4.1
133.10098	3.9
135.04414	1.5
135.08034	3.9
135.11688	1.9
137.06010	1.1
137.09616	2.1
139.11159	0.7
141.07002	0.8
143.07562	0.6
143.08534	3.4
144.05693	1.0
145.06494	2.4
145.10120	6.6
146.07129	0.5
146.11734	0.5
147.04420	1.2
147.06973	0.7
147.08060	8.5
147.11763	1.6
148.08797	0.5
149.02306	0.6
149.09637	3.7
149.13255	0.9
149.15305	0.5
151.03848	1.2
151.11201	0.6
151.26157	0.4
152.04720	2.2
152.06009	0.4
153.07008	1.2
153.09105	1.0
155.08571	1.0
157.06500	1.5
157.10144	2.7
157.46356	0.5
159.08069	1.3
159.11714	2.1
161.05988	1.9
161.09627	3.5
162.10390	0.5
163.11165	3.7
165.09148	3.7
167.03459	2.2
167.07034	100.0
168.07350	1.0
169.06580	0.6
169.10104	0.7
170.07246	1.5
171.08072	1.8
171.10359	0.7
171.11716	2.1
172.05196	1.1
173.06003	1.4
173.09619	0.8
175.03897	1.4
175.07512	1.2
175.11189	2.3
176.04686	0.5
177.09149	0.7
181.05009	0.6
183.10265	0.6
185.09636	1.8
185.13283	1.9
185.20981	1.0
187.07622	0.5
189.05455	0.9
189.09360	0.9
189.11221	2.7
189.12787	0.9
190.06216	0.8
191.07004	4.0
193.08623	2.1
195.08031	0.8
197.05956	0.5
198.06779	2.8
199.07550	2.0
201.05472	0.8
201.09157	0.9
203.06989	0.5
203.10631	0.6
205.08606	1.2
207.06535	1.2
207.10034	0.6
209.08086	0.8
212.08357	0.6
213.09119	4.4
216.07874	0.9
217.15855	1.5
218.05795	1.1
219.10159	1.4
221.08141	0.6
221.11700	0.6
223.13300	2.5
226.06198	1.1
227.18001	1.1
228.23227	9.6
229.23560	35.9
230.09291	1.1
231.10196	3.9
233.08113	8.6
237.16475	0.8
241.08568	6.7
245.11795	2.1
245.18970	1.5
247.09685	0.7
249.11186	1.1
249.14827	3.4
252.77989	0.5
255.17435	2.6
258.08841	1.3
263.19974	0.7
273.11246	10.9
273.18472	17.7
273.26117	2.7
276.07245	1.6
290.26889	11.6
290.29477	0.4
291.09372	1.9
291.12292	11.4
291.16010	5.7
291.19525	41.2
291.27194	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1751
Annotation	Mesembrine
Peak:m/z	Relative Intensity
53.22963	0.8
55.01855	0.8
55.05502	2.5
56.05035	10.9
57.03435	2.0
57.06816	1.4
57.07077	8.4
58.06599	6.9
59.04996	1.6
60.04520	1.5
67.05498	1.4
67.43562	0.7
68.05015	1.1
69.03430	0.8
69.07073	1.8
69.47193	2.7
69.47604	2.9
71.08628	3.2
71.46679	0.6
74.06081	8.8
79.05491	1.5
81.07057	0.8
82.04249	0.8
83.04993	1.4
84.04493	1.6
85.10169	1.6
86.06065	1.6
87.04465	1.1
88.07635	36.3
89.68470	0.8
91.05499	4.9
93.07054	1.3
95.04993	1.8
95.08602	0.9
104.04995	25.2
104.05688	1.3
104.07123	1.1
104.71954	0.7
105.07043	2.8
106.06549	6.6
107.04958	6.8
109.06526	1.7
109.10120	0.8
109.94535	0.7
111.04477	1.7
117.05807	1.0
118.06537	0.9
118.08640	6.3
119.08554	1.2
122.07287	7.0
122.08154	5.9
128.06245	5.2
130.06519	3.5
132.04457	17.6
133.06493	1.5
134.06010	3.2
143.07303	6.2
143.08563	4.2
144.08095	1.6
145.06403	1.0
145.08862	3.7
145.09892	0.8
147.08067	6.7
148.07596	6.1
150.05518	11.2
158.06018	2.4
158.09613	5.8
159.06833	10.0
160.07538	1.0
161.09624	9.4
162.10306	0.8
162.12773	2.3
168.08125	1.1
170.09668	2.4
171.06808	1.1
176.07098	3.0
186.09145	58.6
187.09625	1.6
188.10709	100.0
189.11089	1.9
198.09125	6.2
214.12286	5.6
216.10225	8.3
234.11201	3.2
242.15437	18.2
242.24794	40.6
254.15372	9.7
272.16434	14.8
272.25919	1.6
290.17523	34.0
290.26889	91.1
291.17792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38719	0.4
56.96565	100.0
58.97013	0.5
64.03132	0.4
70.14274	1.0
70.14658	1.0
71.95264	1.9
72.96032	0.8
74.97621	0.8
81.03458	0.5
84.96028	5.8
98.97584	58.6
105.00186	0.8
106.98093	0.9
108.99648	0.5
110.97574	1.9
112.99118	3.4
115.00655	0.7
116.98620	34.0
123.01240	1.4
124.19839	0.5
124.99117	29.3
127.00699	4.0
128.98616	1.7
131.00175	5.4
134.99660	15.6
139.00702	2.8
140.00261	1.2
140.98616	1.0
141.02248	4.3
143.00162	68.2
144.00536	0.6
144.98036	0.7
145.01741	3.5
146.99602	0.8
148.99077	0.5
149.01239	2.3
151.00671	1.8
152.98598	8.2
153.00699	1.5
155.00139	0.6
156.98068	0.7
157.01707	3.8
158.01242	0.9
158.99692	1.7
159.03325	7.1
159.04547	1.0
161.01221	54.8
162.01662	0.6
166.01758	2.3
167.00151	4.0
169.01723	8.1
170.99651	35.0
173.01273	0.7
174.97711	0.9
174.99161	1.4
175.02824	0.8
177.00739	1.6
177.04375	1.5
179.02278	5.6
184.02820	1.9
185.01225	30.8
186.99184	3.5
187.02794	11.5
187.04074	0.4
189.00711	55.4
191.02281	0.9
192.98679	0.6
194.01291	0.9
194.99634	4.2
201.00737	1.8
203.02281	29.2
205.00233	8.3
205.03865	1.8
207.01775	9.2
208.02840	0.7
211.02649	0.7
212.02261	1.8
213.00699	25.2
219.01860	0.8
221.03355	6.3
221.05226	0.8
223.01254	1.7
226.03877	1.6
227.02370	0.5
229.00255	1.4
229.03862	1.5
231.01764	45.8
245.03372	3.6
247.01321	5.1
249.02821	48.6
254.03462	2.1
255.01778	1.4
257.99731	0.8
263.04413	5.9
265.02405	0.9
267.03879	30.0
267.96008	0.7
272.04324	2.4
273.02805	11.7
285.04932	17.7
286.05646	0.6
288.01022	0.6
290.05460	1.4
291.03860	56.0
292.04266	0.6
303.06091	1.1
309.04913	75.4
310.05252	0.6
314.05472	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
53.61083	0.4
55.05501	1.5
56.05028	1.8
56.96570	1.0
57.03411	0.6
57.07066	1.3
58.06593	0.8
65.03935	1.8
66.92179	0.5
67.05505	7.7
69.07079	3.8
70.06575	0.6
71.08646	0.6
71.52732	0.4
74.06075	1.7
79.05499	2.2
81.03417	0.4
81.07087	2.2
82.06589	2.9
83.04986	1.0
83.08611	1.0
84.04501	2.4
85.02887	0.5
86.06078	0.4
88.07639	6.7
91.05485	1.5
93.03400	1.8
93.07063	3.6
95.08595	1.9
97.06535	1.9
102.04044	0.5
105.07030	1.1
107.08572	2.5
109.06565	0.6
109.10145	0.9
110.06040	26.0
111.04440	10.9
111.05206	0.5
117.07047	0.5
117.16396	0.4
118.08652	1.2
119.08553	0.5
122.08134	1.3
123.04447	1.9
126.05487	0.6
131.00169	0.9
133.10114	0.6
135.08058	0.9
135.11696	2.8
137.05988	0.8
138.05498	100.0
139.05823	1.5
139.29526	0.4
147.07874	0.4
149.01225	0.9
158.05989	1.0
159.06378	1.2
163.07515	2.0
173.70912	0.5
175.07431	0.6
177.09167	0.5
178.09407	0.5
181.08855	1.1
200.10681	0.5
210.12758	1.2
226.11148	1.9
242.24817	5.9
244.12215	2.5
254.64571	0.5
262.10556	0.9
267.13834	0.5
290.06885	0.7
290.10037	6.5
290.17563	6.0
290.26895	17.3
290.29565	1.2
291.19638	5.5
304.53421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
57.07075	2.9
58.06596	0.4
58.99595	0.3
65.03940	0.4
65.13313	0.3
67.05494	1.3
69.07064	1.0
70.06590	7.3
70.19069	0.8
71.08623	0.9
72.08138	0.3
79.05482	0.7
81.07043	1.9
82.07390	0.4
83.08652	0.4
84.04504	4.1
84.08103	0.4
85.02898	0.7
85.10143	0.4
88.07629	9.3
93.07027	0.5
94.71508	0.3
95.08591	1.7
96.08939	0.8
102.09176	5.9
103.05476	1.1
104.04988	2.2
105.07030	0.6
107.08577	0.6
109.10149	1.2
115.05345	0.3
116.04918	0.4
117.05759	2.3
119.08572	0.5
120.04452	1.6
123.11736	0.4
124.12086	0.5
126.05529	0.9
130.06522	100.0
131.06879	1.1
132.04434	2.9
143.06131	0.4
144.04433	1.5
144.08051	0.8
145.07591	0.4
146.06001	0.4
150.05446	0.6
154.06477	0.5
159.05516	1.7
161.07100	13.3
168.06540	0.4
169.07588	0.7
171.09286	0.4
173.07054	1.2
179.08643	0.4
184.20601	0.8
197.07124	1.0
198.07863	3.5
203.03487	0.5
204.03700	1.3
204.08130	0.4
206.09631	4.2
217.08907	2.3
219.09169	0.7
228.23222	20.2
231.09164	1.0
232.09950	5.5
233.10730	41.8
234.10999	0.9
247.08684	1.6
249.10173	0.4
259.08762	1.1
262.13379	0.7
272.09888	0.4
272.20209	0.5
272.25601	1.1
274.09680	0.8
275.10547	1.0
290.12869	88.0
290.26917	42.8
291.13187	2.2
291.19473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1386
Annotation	4a-Dehydroxycrinamabine
Peak:m/z	Relative Intensity
53.03933	0.4
53.55809	0.4
54.92226	0.4
55.05502	1.4
56.05027	0.9
56.96564	0.4
57.03422	0.7
60.04516	0.7
61.02924	0.5
67.05475	0.7
69.03429	1.0
69.07047	0.4
70.06595	3.5
70.65016	1.0
70.65370	0.8
72.08156	3.3
74.06071	0.6
76.22032	0.4
79.05466	0.4
81.03396	1.0
83.04958	0.9
83.08506	0.4
84.04508	7.9
84.08147	3.1
85.02901	1.4
86.09702	2.3
87.00819	0.7
91.05475	0.6
96.04447	0.4
97.02869	0.7
98.06026	0.7
103.03934	1.1
103.05428	1.2
105.03434	1.9
105.07022	0.5
108.04474	0.5
109.02818	0.7
110.07167	1.0
115.05467	2.0
117.06992	0.5
120.08069	1.8
126.05503	1.8
127.03867	0.6
128.07077	0.5
129.01791	0.5
129.10236	1.8
130.04982	0.7
130.06488	0.7
131.04913	0.4
131.07303	0.5
134.06023	2.0
136.07544	1.0
143.11842	0.4
144.08084	22.2
146.06047	0.9
146.09665	1.5
157.08861	0.6
160.07549	2.3
162.09146	1.8
168.06593	0.8
170.09683	0.7
171.10382	0.5
172.07570	32.4
174.09109	3.1
176.07066	0.7
180.08037	0.5
183.06741	0.6
188.07063	3.4
189.07805	0.5
190.08617	3.0
197.08421	0.6
198.09155	2.4
200.07074	14.2
201.07758	0.6
202.08629	61.2
203.09033	0.7
214.08612	2.0
215.09448	0.9
216.10194	9.3
216.12134	0.7
221.44199	0.4
222.09190	2.1
228.15862	0.5
230.11755	83.5
231.12091	1.0
232.09692	3.6
238.08717	0.4
239.09483	2.4
240.10083	0.7
244.13332	6.0
246.11490	0.5
246.16942	1.1
248.12840	0.5
254.11771	2.1
260.12891	5.8
262.11530	0.9
272.12820	24.9
273.12408	0.7
290.13855	100.0
291.14084	1.3
291.17087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01867	1.5
55.05500	1.7
56.05036	3.3
57.03443	3.4
60.04514	1.6
61.02917	3.9
65.35504	0.5
67.05501	1.4
68.05016	0.9
68.05846	0.6
68.99795	4.5
69.03420	2.5
69.07062	1.1
69.57097	3.8
70.06587	5.6
71.01349	0.5
71.04997	1.2
72.08157	1.0
72.20054	0.5
73.02919	3.4
74.06074	0.8
77.00987	0.6
79.05508	1.1
80.05009	1.5
81.03412	3.8
81.07059	1.4
84.04504	100.0
84.08137	2.2
85.02905	16.7
85.04839	0.7
86.09715	1.8
87.00826	6.9
91.05446	0.9
93.07072	1.2
95.08595	1.0
96.04486	2.1
96.08126	1.4
96.08912	0.6
97.02900	4.2
98.06060	4.9
99.04462	1.4
100.03979	1.0
103.03944	16.7
105.01860	2.5
105.07005	0.7
107.04929	0.6
107.08606	0.7
108.04469	3.0
109.02876	4.5
109.10127	1.0
110.06043	1.2
110.07186	0.6
112.07616	0.6
116.07024	0.8
119.08543	0.6
120.08091	3.0
122.06024	0.9
123.04565	0.6
124.07567	2.9
126.05516	28.2
127.03896	3.0
129.01826	6.3
129.10237	0.7
130.06496	1.0
131.08578	0.5
132.08945	0.7
134.83177	0.6
136.07585	0.7
140.07072	0.7
144.06544	0.9
144.08044	0.7
147.02847	3.7
150.05510	1.1
151.03894	1.0
152.04205	0.9
156.06558	1.8
159.09169	1.0
162.05490	0.6
168.06566	9.9
171.02919	1.5
186.07626	3.3
189.03912	5.1
202.09108	0.6
204.08723	2.2
212.05544	1.3
227.08218	1.0
228.08714	1.3
230.11768	1.1
245.09195	0.8
272.07535	3.2
272.13589	2.8
290.08749	13.7
290.14017	3.5
290.22070	0.7
290.25308	1.0
291.09113	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45094	1.2
53.03933	1.4
55.01862	4.1
56.05028	1.8
56.96297	2.1
56.96561	27.5
57.03440	6.8
58.06588	1.8
60.04486	1.1
60.05639	3.3
61.02918	7.8
67.05475	1.3
68.13513	1.3
69.03432	9.8
69.44853	9.3
70.06583	7.4
71.04987	1.8
72.08138	6.7
73.02911	22.8
74.06057	2.2
74.97593	1.7
81.03408	3.7
83.00772	2.2
84.04501	3.2
84.08142	3.7
84.96031	3.9
85.02906	17.7
86.09708	8.8
87.04441	1.8
92.01323	1.2
95.00787	1.8
97.02887	12.5
98.01285	2.3
98.97581	47.9
99.04439	3.7
100.99133	1.3
101.00774	2.1
101.07071	1.1
104.01318	2.5
108.01526	1.6
109.02879	2.8
110.01277	11.5
110.97548	10.1
111.02026	1.7
111.13919	1.0
112.99120	2.9
113.01799	1.3
115.03931	1.6
116.01270	4.0
116.07030	1.7
116.98608	22.6
119.01817	15.2
120.02048	1.9
122.01301	1.5
123.02042	1.5
124.99104	3.4
125.01785	3.6
127.03938	8.4
128.02298	8.4
128.98604	11.8
131.00157	3.0
131.01790	4.6
132.98048	2.0
133.03458	1.7
134.02304	3.8
134.99654	8.5
137.01752	4.2
137.02803	2.5
140.00188	2.0
140.02313	3.7
140.98598	1.8
143.00174	9.4
143.01830	1.7
143.11790	3.4
144.10193	5.2
144.98039	2.5
145.04938	2.6
145.10536	2.6
146.02303	9.5
146.99673	9.7
149.01184	2.3
149.02876	1.8
150.99077	1.4
152.02292	6.6
153.00667	1.3
155.02840	21.3
158.99640	13.7
160.02785	1.2
161.01320	9.3
161.02774	11.4
164.03392	5.2
164.53654	1.3
165.00740	1.9
167.02696	1.6
170.03345	9.2
170.99646	10.4
171.11325	1.2
173.02769	2.8
173.12874	5.6
174.99120	2.0
175.04416	1.5
177.00697	13.3
182.03357	10.2
182.53589	2.0
182.99628	2.9
185.01273	3.6
187.14426	2.6
189.00710	14.9
190.03880	2.2
191.03877	51.9
191.54021	6.6
192.05510	1.6
193.00229	2.6
200.04416	100.0
200.54570	11.7
201.00719	8.6
203.02310	3.4
205.00206	1.9
205.50882	1.3
207.01810	4.0
208.04932	2.6
209.04956	9.4
209.55106	1.9
211.55226	5.4
213.00644	2.0
219.01779	13.3
220.02544	1.4
220.55705	5.6
221.03336	1.3
231.01752	4.5
237.02789	6.2
243.01758	1.4
249.02924	3.2
255.04010	2.6
267.00143	3.5
267.03915	1.8
279.03870	2.1
285.01096	2.3
290.06192	4.2
290.11200	1.6
290.14511	1.5
291.03967	5.9
309.04935	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	290.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84430	0.5
53.03947	1.2
55.01868	1.3
55.05503	1.8
56.05032	3.1
56.96569	0.6
57.03436	4.1
60.04517	2.7
61.02929	4.4
68.05026	1.4
68.99803	4.5
69.03435	2.1
69.44002	5.3
70.02917	0.6
70.06598	5.1
72.04517	1.0
72.08169	3.5
73.02919	3.4
74.06067	1.1
79.05502	1.0
79.80038	0.5
80.05019	0.9
81.03426	4.3
84.04507	100.0
84.08150	3.2
85.02909	16.5
85.04829	1.1
85.06564	0.7
86.06054	1.3
86.09718	1.9
87.00832	6.5
91.05466	1.6
93.07003	0.6
95.06110	1.2
96.04508	1.7
97.02885	4.4
97.06583	0.7
98.06059	3.9
98.20773	1.3
98.97601	0.7
99.04464	1.9
102.41691	0.6
103.03941	17.0
105.01881	2.8
105.03386	5.8
106.59474	0.6
108.03891	0.6
108.04509	2.8
109.02887	5.5
110.06055	1.4
110.07162	1.1
112.02225	1.0
116.07126	0.8
119.04977	0.7
120.08122	3.1
121.10138	0.8
122.06010	1.0
126.05515	28.7
127.03918	4.0
129.01846	6.0
129.07283	0.7
129.10266	1.9
130.05051	1.0
130.06555	1.1
130.16847	0.6
131.06830	1.1
132.01186	1.1
134.06088	0.9
136.07611	1.5
140.07082	0.7
141.77568	0.6
143.11705	0.5
144.06583	1.3
144.81400	0.6
147.02904	4.7
147.04291	0.7
150.05446	0.7
152.14363	0.7
153.01926	0.8
156.06601	1.5
157.07585	0.9
158.02715	2.5
158.06010	1.4
158.07997	0.9
159.06425	1.6
162.09145	6.7
168.04910	1.8
168.06593	10.7
169.04948	0.7
171.02898	1.8
176.09032	0.9
186.06128	0.9
186.07590	3.2
189.03923	5.7
190.04991	1.1
196.03149	0.8
202.08987	1.7
204.08730	2.7
211.63899	0.8
212.05589	1.0
214.05365	2.7
216.10318	1.2
228.08638	1.1
231.14908	1.8
232.06393	2.1
244.10046	0.7
245.08122	1.1
246.17387	0.8
246.19809	2.7
272.07458	3.8
273.12637	0.8
276.03476	1.3
283.57193	0.7
290.08533	15.9
290.13782	1.3
290.22333	1.5
291.09009	1.0
291.16864	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	290.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27832	1.0
56.28732	0.9
56.96566	66.1
57.03437	2.9
60.04514	1.8
60.05644	4.6
69.03423	5.4
69.98907	2.8
69.99310	1.8
70.06598	4.5
71.04993	1.4
71.06894	1.0
71.95269	1.2
72.08154	4.7
73.02918	4.4
74.06059	2.8
74.97606	17.1
81.03404	2.1
81.07034	1.7
82.06605	1.6
84.04504	6.3
84.08130	3.8
84.96049	3.1
85.02910	10.3
86.06046	1.2
86.09708	6.1
86.97593	7.1
92.98644	2.1
95.04967	1.4
96.01552	1.0
97.02901	3.4
98.06023	1.6
98.97584	100.0
99.04467	1.8
99.77227	1.0
102.00941	1.3
102.97003	1.2
103.03976	1.1
104.10719	1.5
105.03392	9.1
106.03724	2.0
107.62821	1.0
110.01277	1.6
110.97575	3.4
114.97081	4.1
115.08762	1.1
116.07069	2.1
116.98621	62.1
119.01900	6.1
119.58366	1.1
120.02010	4.4
124.99080	2.2
126.05509	2.0
126.97053	1.1
127.03921	3.4
128.02290	1.9
128.07106	2.0
128.98598	4.4
131.00157	1.3
131.01855	1.7
132.98090	14.8
133.03531	1.3
134.58267	1.0
134.99648	28.7
137.02881	1.2
140.00211	3.2
140.06984	1.2
143.00145	14.6
143.11795	2.1
144.10222	2.0
144.98109	2.4
145.03416	1.0
145.10478	2.0
146.02348	2.3
146.99635	3.1
147.04340	1.2
149.01131	1.2
150.99144	43.7
153.00729	4.5
155.02902	2.9
156.98129	4.1
158.01390	1.3
158.99667	18.5
161.01221	20.5
161.02840	2.9
162.03067	2.4
162.99164	3.0
165.00775	1.8
166.01930	1.4
168.06500	1.7
169.00201	21.0
170.03313	1.2
170.99689	1.8
173.12877	3.7
174.99165	18.5
177.00717	22.6
179.02318	2.8
187.02733	1.5
187.14482	1.4
188.97150	1.4
189.00764	3.2
190.98647	3.4
191.02234	2.8
191.03952	5.2
192.01840	1.4
193.00214	28.5
193.01935	2.0
195.01732	2.0
199.01021	1.2
200.02412	2.3
200.04449	8.9
201.00708	1.8
201.12418	1.1
202.98672	2.6
205.00275	2.3
206.98143	16.2
207.01770	1.2
208.99692	1.9
211.01166	5.3
218.02237	1.9
219.01784	2.3
220.99751	3.4
223.01334	1.1
224.99167	6.1
229.99734	2.5
230.98135	2.6
231.01750	1.7
237.02879	2.9
239.00748	6.7
248.99182	20.1
249.02719	2.4
267.00238	87.3
267.09003	3.6
268.00629	1.6
272.00809	3.4
285.01294	48.0
290.01727	7.3
290.12283	1.6
291.03922	3.3
291.07318	1.7
291.10547	1.4
308.02887	2.8
309.04865	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	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03933	3.1
55.01860	1.7
55.05508	10.7
57.03417	3.8
57.07068	3.9
59.04985	5.6
67.05503	30.5
69.07068	11.6
70.73232	1.5
71.24338	1.5
71.53260	2.2
79.05497	14.8
81.06593	2.2
81.07060	39.1
83.04955	2.6
83.08604	7.3
85.06541	15.1
89.94409	1.8
91.05478	14.6
93.07043	34.2
95.04939	5.9
95.08606	38.2
97.06534	2.3
99.08064	3.4
105.07038	14.8
107.04922	3.1
107.08598	18.2
109.06496	4.3
109.10155	20.5
111.11711	2.4
115.05453	1.9
117.06989	4.7
119.08603	11.7
121.06483	3.4
121.10142	15.6
123.08006	2.7
123.11683	7.0
125.09625	3.1
131.08557	10.7
133.10136	12.2
135.08096	2.1
135.11691	13.8
137.09619	2.2
137.13264	1.7
145.10106	8.3
147.11681	5.6
149.09621	3.3
149.13280	8.9
151.14732	1.8
151.81889	1.5
157.10088	5.8
159.11676	6.6
161.13258	3.4
163.11136	2.6
163.14749	4.9
171.11702	1.8
173.13260	6.0
175.14801	3.5
177.12776	2.1
177.16321	1.4
183.11627	3.1
187.14825	2.4
189.16397	3.8
201.16373	1.7
215.17946	3.6
231.21133	2.3
239.17903	2.0
261.25717	4.3
271.24240	15.3
289.21655	12.4
289.25223	100.0
290.25415	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	290.0185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
55.05514	1.6
55.38679	1.1
55.87793	1.0
56.05035	7.9
56.96567	66.1
57.03428	2.6
58.06581	2.5
60.04520	6.7
60.05638	4.5
67.05492	2.4
67.10968	1.2
68.99785	1.3
69.03419	6.1
69.07066	2.9
69.97845	4.2
69.98248	2.8
70.06593	34.3
71.04984	2.9
71.06935	2.0
71.95248	1.4
72.04506	1.4
72.08160	20.7
73.02913	3.0
74.06078	18.0
74.97614	14.7
79.05444	1.2
79.18006	1.0
81.03413	2.7
81.07059	2.4
82.06583	1.3
83.06114	1.8
84.04507	17.5
84.08148	24.0
84.96034	4.3
85.02905	8.7
86.06049	3.1
86.09708	88.6
86.97598	6.4
87.00833	1.2
88.04003	1.9
91.05483	2.1
92.98660	2.6
94.06563	1.3
95.04945	2.1
96.04501	2.2
97.02890	5.2
97.07639	1.6
97.99191	1.5
98.06052	1.4
98.09715	1.8
98.97585	100.0
100.07611	2.8
101.07150	2.6
104.05326	1.5
104.07104	1.5
105.03413	3.0
106.04983	1.4
107.04974	1.6
109.02917	1.9
110.06031	5.6
110.07152	6.5
110.09665	1.3
110.97559	4.6
112.08741	2.8
112.11260	1.5
113.07092	1.7
114.09180	1.8
114.97051	2.8
115.08712	1.9
116.00204	1.9
116.07099	2.6
116.98621	57.5
120.08115	5.4
124.07601	3.3
124.99139	2.6
126.05537	1.8
127.03942	2.5
127.08634	1.4
128.07080	4.4
128.98584	6.2
129.10211	4.1
130.04982	2.5
130.06525	2.2
130.08659	2.5
131.00142	1.7
131.08168	2.3
132.10188	2.1
132.98091	11.1
134.99664	27.3
136.07585	3.0
138.03984	1.4
140.00192	2.4
140.07106	2.9
141.06601	1.2
142.13339	1.8
143.00153	11.5
143.11766	4.4
145.04883	1.4
145.09737	1.9
146.99622	4.7
147.03212	1.5
147.04372	1.8
150.99141	28.9
152.98723	1.6
153.00702	3.8
156.98090	3.6
157.07593	2.4
157.13364	43.5
158.01234	1.4
158.99663	15.3
159.07619	2.1
160.14432	4.1
161.01228	15.8
161.09314	1.4
162.99205	2.0
168.05325	1.4
168.06609	2.7
169.00206	14.6
170.99603	1.4
173.09267	4.0
173.12833	9.1
174.00786	1.7
174.99153	16.5
175.11913	4.4
177.00691	23.1
177.06029	1.5
179.02269	2.9
181.00177	1.3
185.12868	12.3
186.99117	1.4
187.14494	1.7
189.00725	3.2
189.12238	1.6
190.95566	2.2
190.98660	2.6
193.00230	18.9
194.95128	1.3
200.02324	2.2
201.12338	5.0
206.98141	8.0
211.01254	3.2
215.13953	1.6
216.01711	2.9
219.01782	3.5
220.99698	2.9
223.01253	2.8
224.99261	3.4
237.02818	8.2
239.00746	2.8
248.99184	18.2
249.02786	1.7
267.00244	64.0
272.00812	2.8
272.11148	1.6
272.16019	3.2
273.18393	1.5
285.01285	36.2
290.01880	5.0
290.11768	2.5
290.14560	5.3
290.20792	4.2
308.03247	1.6
308.07364	1.4
309.08609	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	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03918	2.5
54.31570	2.2
55.01867	2.3
55.05514	22.6
57.03406	2.9
57.07077	12.6
59.04996	4.1
62.80867	2.1
67.05507	33.0
69.07070	40.2
69.98257	4.2
69.98676	8.2
71.04609	2.5
71.04994	37.5
71.08604	3.7
73.06569	2.2
77.80457	2.0
79.05493	19.5
81.07056	83.6
82.87485	2.0
83.04961	3.4
83.08619	16.7
85.06534	5.1
91.05489	21.4
93.07047	72.9
95.04967	5.7
95.07999	3.7
95.08606	74.4
97.10177	12.9
99.08076	8.8
105.07028	57.2
106.23582	2.3
107.07877	4.7
107.08595	91.3
109.06551	3.2
109.10159	71.0
111.08057	2.7
111.11705	4.9
113.09629	4.7
119.08578	61.0
121.10146	69.8
123.08022	4.0
123.11700	31.8
123.75136	2.2
125.09595	3.7
127.11190	47.5
131.08533	13.8
133.10132	53.0
135.11679	46.4
137.09590	3.7
137.13228	5.3
139.11232	2.5
141.12711	2.5
143.08559	3.7
145.10139	22.9
147.11699	55.5
149.12065	4.2
149.13260	79.0
153.12764	4.1
158.06044	2.6
159.11697	30.5
161.13260	27.5
163.14836	23.0
165.12729	6.2
173.13303	17.3
175.14812	16.6
177.16435	6.3
179.14337	3.5
187.14827	30.9
189.16339	9.4
191.17928	13.1
193.15889	2.7
201.16400	21.7
203.17957	100.0
205.03882	3.2
215.17944	19.6
217.19479	6.3
219.17413	3.6
229.19539	5.4
271.24207	58.7
272.24554	3.0
274.06622	3.4
289.09540	8.8
289.18179	6.7
289.21994	4.2
289.25256	95.0
289.29047	7.1
290.09940	2.5
290.25531	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	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
54.50438	4.3
55.00363	4.6
55.05508	18.8
57.07067	11.3
62.05539	4.9
62.51557	5.0
67.05498	28.8
69.07059	37.1
69.44032	29.3
69.44437	7.0
71.04993	15.6
79.05496	18.8
81.07051	76.2
83.08633	10.4
84.54285	4.4
85.06537	11.2
91.05457	23.3
93.07042	61.9
95.04990	8.9
95.08609	73.3
97.06497	5.7
97.10178	10.8
99.08075	7.8
105.07023	36.1
106.39253	4.5
107.08584	62.6
109.06571	6.2
109.10157	58.6
111.11700	5.8
119.08540	33.8
121.10128	63.0
123.11696	26.8
125.09567	4.6
127.03848	6.2
127.11219	15.3
129.62753	5.1
130.24586	4.3
131.04887	6.1
131.08534	11.6
133.10123	31.0
135.11696	32.4
137.13237	10.3
145.10144	20.1
147.11676	33.3
149.13249	68.5
151.14832	5.8
159.11697	23.7
161.13260	20.4
163.14807	20.2
165.12769	7.5
173.13176	21.5
175.14828	16.7
177.16411	11.3
179.14284	9.5
187.14862	15.4
189.16273	5.8
191.17946	10.4
201.16380	13.7
203.17972	46.7
205.04973	6.5
215.18021	11.3
217.19473	6.6
223.66696	4.6
229.19638	4.6
271.24127	56.2
289.09195	8.6
289.18094	8.5
289.21921	7.5
289.25220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
55.05272	1.9
55.05515	23.3
57.03421	1.6
57.07063	3.8
58.12425	1.2
59.04993	1.7
67.05506	21.1
69.07070	14.3
69.73895	8.6
71.04990	1.2
73.06562	1.6
79.05499	17.8
81.07059	27.8
83.08617	9.7
85.06539	6.3
91.05484	53.5
93.07041	21.1
95.04942	2.1
95.08609	18.6
97.06503	1.9
97.10168	7.8
103.05453	2.9
105.03423	1.3
105.07034	89.2
107.04942	1.8
107.08595	13.0
109.06551	2.4
109.10167	9.8
111.08087	1.6
115.05433	2.5
117.07021	12.1
119.08585	46.8
121.06541	3.0
121.10125	8.7
123.08086	2.2
123.11739	2.5
123.27788	1.2
125.09628	3.8
129.07014	3.6
131.04848	1.6
131.08571	21.5
133.09117	2.7
133.10130	54.0
135.08040	1.5
135.11656	7.3
137.09615	1.8
143.08591	5.5
145.06502	1.3
145.10130	41.5
146.90581	1.5
147.11694	44.5
149.09621	2.1
149.13289	2.4
151.11374	1.6
155.08600	2.2
157.10143	4.5
158.06038	1.9
159.08076	1.9
159.11679	15.2
161.09592	2.1
161.13258	10.0
163.03900	2.0
163.11139	2.0
166.86861	1.6
169.10153	2.5
171.11711	9.7
173.09656	1.8
173.13269	12.1
175.03859	3.0
175.14796	2.6
183.11705	3.8
185.13264	2.9
187.14836	1.6
189.16342	1.7
195.49031	1.6
197.13280	4.9
201.12721	2.6
203.03398	2.7
211.14822	2.0
213.16428	1.9
215.14301	1.7
215.17934	3.6
229.19467	2.0
239.18071	8.7
257.18991	26.7
271.20670	1.5
271.24069	1.3
274.06534	3.0
289.06320	1.7
289.09256	6.8
289.18201	7.0
289.21628	100.0
289.25037	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	289.1796
Annotation	4-hydroxyestradiol
Peak:m/z	Relative Intensity
51.13876	0.6
53.08654	0.6
55.01865	1.5
55.05510	5.5
57.07070	2.0
67.05510	3.3
69.07074	8.7
71.53613	1.0
73.30507	0.6
79.05476	3.0
81.03439	0.8
81.06590	1.0
81.07056	17.0
82.04202	0.8
83.08620	2.3
89.08258	0.6
91.05476	8.7
93.07037	1.7
95.04963	2.0
95.08607	9.1
97.10174	1.6
103.05453	0.7
104.54131	0.7
105.07038	3.2
107.04953	12.0
107.08570	1.7
109.06516	1.6
109.10153	2.4
111.11721	1.1
118.30528	0.6
119.04937	8.9
119.08580	2.1
121.02889	0.6
121.06503	7.0
121.10158	0.9
123.11713	8.3
129.07004	0.7
130.06567	0.9
131.04927	1.8
131.08553	1.3
133.06487	5.6
133.10146	1.0
134.03625	13.7
135.04395	1.1
135.08055	1.3
136.05182	0.9
137.06009	3.2
137.13245	5.5
143.08499	0.8
145.06468	1.7
145.10143	1.7
147.04408	36.9
147.08078	5.0
147.11638	1.2
148.04834	0.7
149.05945	0.8
149.09604	2.0
149.13205	0.7
151.03955	0.9
156.39308	0.7
158.06013	2.4
159.08038	3.5
159.11693	1.1
161.05981	1.5
161.09612	9.0
165.05475	100.0
166.05789	2.0
173.05975	0.9
173.09634	2.1
175.03917	0.9
175.07632	1.3
175.11172	2.1
179.07048	12.4
187.07574	0.8
187.11191	1.1
189.05476	1.0
189.09128	2.2
193.08604	6.3
197.09842	0.7
201.09085	1.1
205.08432	0.8
207.10168	8.2
210.85364	0.9
215.10754	1.0
231.17412	3.0
233.11742	2.3
243.17445	1.0
244.73485	0.7
271.16959	4.0
274.06763	1.6
286.49805	0.7
289.09464	7.6
289.17981	74.4
290.18262	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	289.2163
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
55.01865	2.2
55.05272	1.9
55.05515	23.3
57.03421	1.6
57.07063	3.8
58.12425	1.2
59.04993	1.7
67.05506	21.1
69.07070	14.3
69.73895	8.6
71.04990	1.2
73.06562	1.6
79.05499	17.8
81.07059	27.8
83.08617	9.7
85.06539	6.3
91.05484	53.5
93.07041	21.1
95.04942	2.1
95.08609	18.6
97.06503	1.9
97.10168	7.8
103.05453	2.9
105.03423	1.3
105.07034	89.2
107.04942	1.8
107.08595	13.0
109.06551	2.4
109.10167	9.8
111.08087	1.6
115.05433	2.5
117.07021	12.1
119.08585	46.8
121.06541	3.0
121.10125	8.7
123.08086	2.2
123.11739	2.5
123.27788	1.2
125.09628	3.8
129.07014	3.6
131.04848	1.6
131.08571	21.5
133.09117	2.7
133.10130	54.0
135.08040	1.5
135.11656	7.3
137.09615	1.8
143.08591	5.5
145.06502	1.3
145.10130	41.5
146.90581	1.5
147.11694	44.5
149.09621	2.1
149.13289	2.4
151.11374	1.6
155.08600	2.2
157.10143	4.5
158.06038	1.9
159.08076	1.9
159.11679	15.2
161.09592	2.1
161.13258	10.0
163.03900	2.0
163.11139	2.0
166.86861	1.6
169.10153	2.5
171.11711	9.7
173.09656	1.8
173.13269	12.1
175.03859	3.0
175.14796	2.6
183.11705	3.8
185.13264	2.9
187.14836	1.6
189.16342	1.7
195.49031	1.6
197.13280	4.9
201.12721	2.6
203.03398	2.7
211.14822	2.0
213.16428	1.9
215.14301	1.7
215.17934	3.6
229.19467	2.0
239.18071	8.7
257.18991	26.7
271.20670	1.5
271.24069	1.3
274.06534	3.0
289.06320	1.7
289.09256	6.8
289.18201	7.0
289.21628	100.0
289.25037	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	289.1797
Annotation	4-hydroxyestradiol
Peak:m/z	Relative Intensity
51.59325	0.4
53.03927	0.5
53.55759	0.3
55.05509	2.3
56.76886	0.4
57.07066	1.4
65.33509	0.4
67.05518	1.9
69.06732	0.5
69.07071	5.9
71.52338	0.5
79.05473	1.5
81.07057	7.7
83.08613	1.6
84.04501	0.4
91.05491	1.9
92.62099	0.3
92.77150	0.3
93.07044	1.2
95.04977	0.8
95.08607	6.4
97.10155	1.6
105.03390	3.0
105.07029	1.3
106.24213	0.4
107.04963	1.1
107.08587	1.4
109.06548	2.5
109.10133	1.5
119.08582	1.3
121.06490	1.7
121.10160	0.6
123.11705	5.9
131.04904	0.6
131.08548	0.4
132.68443	0.4
133.02870	1.2
133.10143	0.4
135.04420	4.7
135.11633	0.6
137.05989	3.6
137.13260	3.7
145.06529	0.6
145.10144	0.5
147.04396	1.1
147.08133	0.4
149.13257	0.6
151.03886	0.9
153.05508	0.7
159.04414	0.8
159.08054	1.5
161.05978	1.1
165.05481	100.0
166.04597	0.4
166.05791	1.8
173.05962	0.5
175.07585	0.9
179.07021	6.4
187.07504	2.9
188.92468	0.9
189.09090	0.8
191.07027	0.7
193.08612	3.3
201.09157	0.6
205.08633	1.6
207.10155	3.7
214.93933	0.5
219.10184	1.3
221.03400	0.5
221.11818	0.4
233.11771	1.0
244.95039	0.6
257.15472	3.3
271.24219	0.8
274.06586	1.1
289.09399	1.8
289.17990	73.1
289.24997	1.6
290.18298	2.0
300.97809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1067
Annotation	Pranferol
Peak:m/z	Relative Intensity
55.01881	9.9
55.02100	1.9
55.05512	3.7
57.07074	5.2
65.03951	2.3
67.05515	14.9
68.30394	2.0
69.03411	2.6
69.07069	10.8
69.69744	3.4
69.70151	10.5
79.05497	4.6
79.94188	2.1
81.07040	6.0
83.04964	2.4
84.04505	8.4
85.06541	19.6
86.09702	2.6
91.05479	5.6
93.07053	4.7
95.04951	3.0
95.08616	4.6
103.40174	1.9
105.07020	5.8
107.08578	3.7
109.10150	5.1
115.43713	2.0
117.06964	2.4
119.08654	2.2
121.10101	3.9
123.11707	2.3
126.23603	2.0
131.04939	11.1
131.08569	5.7
133.02846	4.7
135.04410	3.4
135.11678	2.5
145.06487	3.1
147.04420	22.1
149.02255	2.6
149.05940	2.7
151.03877	4.9
156.10199	2.2
159.04419	17.0
159.08028	10.5
159.11659	2.4
163.03903	46.5
163.10367	2.0
164.07063	2.5
167.03421	5.5
171.04468	3.2
173.05960	4.7
175.03893	18.2
177.05450	4.2
183.08101	2.5
185.06036	3.8
187.03981	11.4
187.07547	100.0
188.07933	2.6
191.03360	5.9
191.17960	2.7
199.07544	5.5
201.09100	14.3
203.03378	28.4
203.07037	4.4
205.04953	33.6
211.07504	7.8
221.04247	2.2
225.09204	2.6
229.08609	60.8
230.08954	2.3
233.04446	11.8
243.10172	3.6
271.09689	14.6
271.13217	3.3
289.06018	32.2
289.10712	51.3
289.14175	1.9
289.25278	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	288.2031
Annotation	Leucylarginine
Peak:m/z	Relative Intensity
51.47479	0.5
51.92101	0.5
53.03944	0.7
53.07513	0.5
55.05521	1.4
56.05041	0.8
56.96562	8.0
58.09229	0.6
60.04519	0.8
60.05648	23.3
68.32704	0.6
69.03429	1.3
69.07065	2.6
70.06592	100.0
70.12645	2.8
70.98127	0.7
71.04996	1.8
71.06939	1.0
72.08160	9.1
74.06068	1.1
84.04488	2.2
84.08140	8.3
84.96037	1.6
85.02914	2.0
85.07665	0.8
86.09705	39.0
88.03990	0.8
88.07642	0.9
95.06081	0.8
96.04499	0.6
97.02894	1.8
97.07657	1.7
98.06031	3.7
98.97569	6.8
99.04416	0.6
108.04475	0.7
110.07191	1.1
110.97538	1.0
112.05073	0.7
112.08729	11.8
113.07130	1.2
114.10307	0.9
115.08690	3.7
116.07094	13.7
116.98627	4.6
119.01909	2.0
121.41867	0.6
126.05519	1.7
128.98621	1.0
129.10220	3.0
130.08762	1.0
130.09747	5.1
130.93286	1.0
131.00179	1.0
132.10234	0.9
133.09714	0.9
134.99670	2.2
140.08215	1.8
146.99667	0.7
152.08185	0.6
156.11307	5.0
157.10867	2.8
158.09245	7.7
158.99576	0.9
160.06465	0.8
161.03012	0.9
166.12279	0.9
172.94325	1.4
174.99152	1.6
175.11905	39.9
176.12257	0.7
178.04938	1.1
187.04607	1.2
190.95409	1.9
191.04033	0.8
193.00145	0.8
199.05432	0.7
206.06976	1.2
208.14514	0.9
208.96465	1.1
212.12752	1.5
219.01767	1.1
224.08051	1.9
225.17059	0.8
228.17102	2.1
229.15498	6.1
237.02769	1.7
248.08089	1.4
250.07207	0.7
253.16568	2.1
254.15074	1.5
270.19141	0.7
271.17664	13.1
274.97598	0.8
278.79510	0.6
288.10275	1.6
288.20297	98.6
289.07480	0.8
289.16205	1.0
289.20560	2.2
292.98520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.7
55.05268	0.7
55.05514	9.5
56.05037	1.5
57.05813	0.9
60.04476	0.5
60.05632	0.9
60.45601	0.5
67.01863	0.6
67.05506	0.8
68.99791	1.2
69.03424	2.1
69.07070	0.9
69.76053	1.1
69.76460	2.0
70.06212	0.7
70.06592	10.9
70.06963	0.9
71.04997	0.9
72.08159	100.0
73.08483	1.4
74.06085	8.5
79.05468	1.2
81.03421	1.6
81.07082	0.6
83.04967	0.9
84.04517	1.4
84.08147	2.2
85.02923	1.3
85.06506	0.7
86.04428	0.6
86.09711	57.0
87.10042	0.9
91.05514	0.8
93.07028	0.7
95.04987	0.6
95.06100	0.8
95.08641	0.7
97.02925	1.1
97.06551	1.1
98.06050	2.3
99.04462	0.8
102.05560	0.8
104.07119	1.5
105.03409	0.7
107.04948	2.5
107.08610	0.8
109.02887	1.6
110.99059	0.6
111.00852	0.7
112.08754	1.6
116.07120	4.9
117.05515	0.8
117.26141	0.5
118.08644	1.9
119.08572	0.6
120.06630	0.7
120.08105	2.8
121.02867	5.4
122.03175	2.8
124.07598	1.0
125.02371	0.5
125.09621	1.1
127.03908	2.1
129.10246	40.0
130.06516	1.9
132.04533	0.7
132.10216	14.8
133.02885	0.9
134.03133	0.6
135.09193	5.8
136.07574	0.9
137.02338	1.4
138.02646	0.9
141.06915	0.6
143.11801	18.8
144.06561	3.9
145.06531	0.6
145.10152	0.6
147.04417	1.0
148.04764	0.9
149.02322	1.9
151.03905	0.8
153.01834	6.0
154.02170	3.9
157.06485	0.6
157.07660	1.3
157.09729	18.1
157.13344	8.9
158.05957	0.8
165.01886	1.2
166.02223	1.5
167.03441	0.7
171.02892	0.8
171.04269	0.6
171.11302	4.2
172.11241	0.5
175.08774	0.7
175.11967	1.5
177.05478	1.2
184.99078	1.4
185.03799	0.8
185.12779	2.5
189.12352	11.6
197.06218	0.5
199.00568	1.3
199.08705	1.4
200.06789	0.5
201.09103	0.7
212.07039	0.5
213.05457	0.6
214.05817	2.3
214.63373	0.9
215.07045	0.5
217.15546	0.6
232.06842	1.1
242.05342	1.2
243.06430	0.9
243.11375	0.8
243.14893	0.9
246.09583	0.9
259.05615	1.3
260.06271	0.8
271.06934	0.6
271.10846	2.0
271.14127	1.2
271.17508	0.7
288.05850	79.8
288.20346	4.7
289.05582	4.3
289.11606	1.1
289.15216	1.5
306.89120	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0866
Annotation	Citrusinine II
Peak:m/z	Relative Intensity
59.31507	0.4
67.88833	0.4
69.93970	1.8
84.49356	0.4
86.54974	0.5
93.42349	0.3
98.21493	0.5
101.86105	0.4
139.39594	0.4
179.04085	0.4
198.05412	0.4
199.06258	0.5
202.04996	0.6
212.03389	0.7
216.06590	5.9
217.07242	1.6
227.05736	1.2
230.04482	7.6
242.08257	0.5
244.06070	1.9
245.06827	7.7
273.06317	100.0
274.06650	2.1
288.08670	75.6
289.09036	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01888	0.6
55.05510	1.2
56.04789	0.7
56.05042	8.5
57.03431	2.3
60.05652	2.6
60.09458	0.5
67.05511	0.6
69.03433	2.4
69.18324	3.9
69.18752	1.3
69.35828	0.4
70.06599	15.6
70.87630	0.5
71.05007	0.8
72.08157	14.5
72.93770	0.8
74.06084	100.0
75.06426	0.6
79.88195	0.5
81.03426	2.3
81.98812	0.5
83.06104	0.5
84.04510	6.7
84.08147	3.1
85.02924	1.6
86.06082	1.2
86.09709	14.8
90.94867	0.6
97.02905	1.9
98.06062	10.1
98.64624	0.6
99.04494	0.5
102.05553	5.4
104.10406	0.5
109.02894	5.7
110.51593	0.5
112.07642	1.0
112.08726	1.3
116.07101	47.8
117.07478	0.8
120.06586	9.3
120.08071	1.0
121.02865	0.5
126.05511	0.5
127.03925	1.8
129.10291	1.6
130.06563	1.5
130.08679	0.8
132.95850	0.5
136.99190	0.6
144.06573	32.6
145.05016	1.3
150.96878	1.0
155.97485	1.0
157.07632	1.0
158.06078	1.3
158.09216	0.8
162.07655	1.7
173.98592	0.6
174.96861	0.7
175.11929	4.2
181.25101	0.5
185.07048	0.9
185.16476	5.4
188.06987	0.5
189.12349	1.8
213.16075	2.4
228.08757	2.0
240.08778	1.9
243.07703	0.8
246.09732	3.2
270.09760	7.5
271.17706	1.4
288.05960	1.5
288.10867	3.2
288.20303	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	287.237
Annotation	Retinol
Peak:m/z	Relative Intensity
55.05498	9.7
57.07072	3.8
59.04992	4.0
65.03925	4.2
67.05508	20.4
69.07062	15.7
70.70918	2.3
70.78663	5.2
71.04985	5.1
79.05482	11.2
81.07056	26.8
83.08620	4.6
85.06541	6.1
91.05489	16.2
93.07044	66.9
95.04941	4.2
95.08614	23.3
97.06556	2.4
105.07041	24.2
107.08591	34.2
109.06525	7.9
109.10152	19.2
117.06996	6.4
117.77259	2.1
119.08583	18.7
121.10168	14.1
123.08112	2.4
123.11697	10.0
125.56226	3.2
127.11243	2.4
129.06995	11.5
131.08556	17.0
133.10135	19.2
133.62683	2.4
135.11682	30.1
139.11174	5.5
143.08562	9.6
144.10201	38.1
145.10132	10.0
147.04367	5.3
147.11664	17.1
149.09572	7.5
149.13220	7.2
151.11191	6.2
153.01823	6.3
153.12689	7.6
156.09346	2.7
157.10123	9.2
159.11676	6.8
161.06006	3.6
161.13260	8.9
169.10152	2.8
171.11644	9.4
173.13252	4.2
175.11200	2.8
175.14799	4.1
176.03265	2.7
185.13260	11.3
187.14807	14.1
199.14835	5.4
201.01814	2.7
201.16345	7.2
203.03391	36.8
203.14372	4.6
203.17960	17.5
213.16373	22.9
227.17943	5.7
231.17390	4.3
245.19016	2.9
259.24203	5.7
269.22598	19.5
273.06342	4.6
287.05487	27.3
287.09067	8.6
287.16321	7.4
287.20447	4.4
287.23676	100.0
287.26880	5.6
288.05765	4.0
288.08658	4.5
288.24084	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	288.0866
Annotation	Citrusinine II
Peak:m/z	Relative Intensity
56.66242	0.2
58.57584	0.2
78.32931	0.2
100.82011	0.2
124.47488	0.2
153.01826	0.4
154.02153	0.3
164.23694	0.2
165.90202	0.2
188.07047	0.2
199.06276	0.7
202.04971	0.4
212.07019	0.2
214.08699	0.5
216.06551	3.3
217.07368	1.1
227.05719	0.9
228.06543	0.5
230.04512	4.6
231.05241	0.5
232.09650	0.5
242.08105	0.9
244.06084	1.4
245.06848	7.2
255.05363	0.2
256.06137	0.3
258.03885	0.4
260.09344	0.4
270.07629	0.7
272.05545	0.3
273.06314	42.7
274.06650	0.6
288.08658	100.0
289.09039	2.0
296.91095	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0867
Annotation	Citrusinine II
Peak:m/z	Relative Intensity
61.08958	0.1
70.47160	0.2
70.47547	0.2
115.28490	0.1
130.26285	0.1
142.70901	0.1
160.03955	0.3
176.86090	0.1
199.06273	0.5
202.04956	1.2
227.05804	0.4
228.06577	0.7
230.04492	23.0
231.04810	0.2
236.07933	0.1
242.08142	0.9
244.06036	1.5
245.06851	1.1
256.06049	0.3
258.03986	37.8
259.04404	0.4
270.07498	0.2
272.05438	0.2
273.06311	100.0
274.06671	2.0
288.08661	96.7
289.09030	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.2
58.06587	1.3
58.75969	0.1
61.26071	0.1
70.06567	0.1
70.36929	0.3
72.08120	0.1
82.42197	0.1
84.08128	1.3
84.86980	0.1
98.09682	0.1
98.21436	0.1
99.04449	0.2
102.05529	0.1
105.68404	0.1
137.70221	0.1
144.10193	100.0
145.10539	1.0
153.41191	0.1
158.11790	0.2
171.72536	0.1
176.79277	0.1
190.03915	0.2
229.08528	0.1
287.19684	1.4
288.10779	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	287.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56488	2.0
53.03944	3.8
55.01869	6.3
55.05509	38.2
57.03433	11.5
58.01364	2.6
59.04994	5.1
65.03928	6.2
67.05505	67.9
68.99797	19.8
69.03425	18.8
69.07070	49.3
70.06614	12.3
71.04990	15.4
71.52729	3.7
72.08156	6.0
74.06071	11.2
78.97090	2.6
79.05066	5.3
79.05495	56.8
79.27093	3.1
81.03417	9.7
81.06587	5.7
81.07057	84.7
83.04990	27.9
83.08611	12.7
84.04503	4.2
84.08149	11.4
84.96051	2.9
85.02917	7.8
85.06554	17.2
86.09717	8.8
87.04460	3.9
91.05478	47.3
93.03392	3.7
93.07045	65.9
95.04954	16.3
95.08611	100.0
97.02893	5.0
97.06536	25.3
98.97591	5.0
99.08101	31.6
101.06016	27.4
103.05402	2.5
105.03407	5.0
105.07036	36.6
107.04966	7.2
107.08580	29.3
109.02867	8.1
109.06528	6.5
109.10181	16.5
111.08109	8.1
113.09647	38.9
115.05534	3.5
116.07108	6.2
117.07008	16.0
118.04012	2.6
119.08592	20.7
121.02891	9.4
121.06512	12.2
121.10138	33.8
122.06020	2.9
123.04425	5.1
123.08113	3.4
123.11732	4.8
124.07582	4.9
125.05954	5.0
125.09669	6.5
127.03929	5.2
127.07542	4.4
129.06900	3.6
129.10223	3.5
131.08569	17.3
133.02835	8.3
133.10124	28.4
135.04427	4.8
135.11673	21.0
136.07527	3.2
137.02312	2.8
137.06119	2.7
137.09605	9.7
139.11191	2.8
142.07738	2.4
143.08525	3.4
144.06491	2.9
145.06534	3.8
145.10110	15.2
146.06026	3.4
147.04414	6.2
147.08090	5.0
147.11693	12.6
149.02365	12.1
149.06021	3.3
149.13272	10.4
151.03926	17.0
151.11214	4.5
153.01826	11.1
157.06459	3.7
157.10120	4.6
159.11717	15.0
161.05983	3.3
161.09615	2.9
161.13248	13.7
163.11205	4.6
164.07013	6.0
165.09137	11.9
167.03409	32.2
173.13304	10.4
175.04001	4.0
175.07642	2.9
175.14864	7.4
177.16429	4.6
181.06606	2.6
183.10286	3.3
185.00867	18.3
185.09445	3.0
187.14798	4.2
189.05473	4.3
191.07066	4.2
213.05576	3.3
215.18022	20.9
227.06966	2.8
229.08485	3.8
231.06551	3.5
233.19095	6.3
237.02887	2.7
241.04800	4.1
241.09547	2.6
242.11916	2.7
251.20084	5.9
259.06122	4.1
269.11813	5.4
269.21091	6.6
287.05530	83.2
287.10101	22.8
287.13177	19.5
287.16559	3.2
287.19986	3.1
287.23621	3.4
288.05789	5.4
288.09695	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	287.0913
Annotation	Heraclenin
Peak:m/z	Relative Intensity
53.00298	0.5
55.05498	0.8
57.07075	4.9
58.06594	0.4
58.07386	0.3
59.04986	1.0
62.06080	0.6
65.03939	5.9
67.05505	30.8
70.04572	1.5
71.04997	0.3
71.08627	0.8
72.08160	2.6
75.15945	0.3
79.05489	0.8
81.07053	0.6
83.04960	0.4
85.06544	18.2
89.03885	0.8
90.09184	1.5
91.05470	1.4
93.07037	0.4
95.04980	0.5
95.08600	0.7
95.79736	0.3
98.98490	0.6
103.05473	0.6
105.03365	0.4
105.07010	0.5
107.04924	0.4
107.08555	0.5
108.08108	0.6
109.10144	0.4
117.03316	0.4
119.04929	0.4
119.08575	0.4
121.02856	0.7
128.06323	0.3
129.03387	1.2
131.04932	5.6
131.08543	0.5
133.06441	0.5
135.08018	0.4
144.10188	1.1
145.02844	1.6
147.04410	20.7
153.01839	2.2
157.02872	3.6
157.06467	0.4
157.10204	0.5
158.07275	0.4
159.04448	2.9
159.11681	0.5
161.06010	0.5
171.04424	0.5
173.02333	5.4
174.03148	1.6
174.18565	0.6
175.03908	8.2
185.02342	2.2
185.13292	0.4
187.03969	0.5
199.03877	0.9
199.07489	0.5
201.01834	5.7
201.09126	0.4
201.16391	0.3
202.02621	4.5
203.03395	100.0
204.03722	1.8
212.41653	0.3
215.03383	1.1
215.10641	0.7
227.07007	1.4
230.24767	1.6
231.25191	0.7
241.08786	0.6
243.06512	2.4
244.05991	0.5
269.08163	3.5
273.06345	0.9
274.70969	0.3
286.31058	14.0
287.05478	9.2
287.09076	6.5
287.12329	0.4
287.16351	1.3
287.20047	1.5
287.23428	0.7
287.31409	7.7
288.08548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0913
Annotation	Heraclenin
Peak:m/z	Relative Intensity
51.02386	0.3
53.03930	0.5
55.01874	0.7
55.05504	2.1
57.07078	3.2
65.03622	0.4
65.03940	6.6
67.01850	0.9
67.05505	30.8
68.99794	1.6
69.03400	1.2
69.07073	3.1
70.06593	0.4
70.18092	1.1
71.04980	0.8
77.03920	0.7
79.05493	2.9
81.03416	0.9
81.07047	5.1
83.04977	1.0
83.08601	1.1
84.08139	0.4
85.06543	19.3
85.10140	0.3
89.03902	1.3
91.05481	3.8
92.03902	0.3
93.07045	3.7
95.04958	2.3
95.08611	5.2
97.06522	0.9
97.10162	0.5
103.05456	1.0
105.03386	1.2
105.07020	3.5
107.04948	1.6
107.08590	4.5
108.08117	0.7
109.02878	1.0
109.06498	1.0
109.10155	3.9
111.00764	0.7
111.04477	0.3
115.05463	0.7
115.70368	0.3
117.07042	0.9
119.04960	0.7
119.08575	4.5
121.02869	6.8
121.06513	1.2
121.10149	2.7
123.08082	0.6
123.11694	1.2
125.05956	0.4
125.09637	0.7
127.03897	0.6
128.06236	0.7
129.03366	1.4
129.06993	1.3
131.04938	5.6
131.08556	1.4
133.02852	3.1
133.06483	0.8
133.10127	2.2
135.04381	1.2
135.08049	0.7
135.11676	1.3
137.02316	2.1
137.05923	0.4
137.09615	0.8
141.06976	0.8
142.07770	0.5
143.08557	1.5
145.02870	2.6
145.06476	1.1
145.10124	2.7
147.04408	21.1
147.11674	1.9
149.02277	0.9
149.05963	0.8
149.09558	0.5
149.13239	1.2
151.03905	4.3
151.11208	0.4
153.01819	9.2
153.06956	0.5
155.08606	0.4
157.02855	3.6
157.06453	0.9
157.10135	1.5
159.04440	2.5
159.08043	0.9
159.11691	2.0
161.02342	1.0
161.05992	2.3
161.09560	0.5
161.13298	1.6
163.03963	0.5
163.14801	0.5
165.01860	1.9
165.05496	1.7
165.06842	0.6
165.12753	0.4
167.03384	1.8
169.06514	0.6
169.10100	0.4
171.03012	0.7
171.04425	1.1
171.08034	1.1
171.11702	1.4
173.02353	5.2
173.05968	0.4
173.13255	1.1
174.03127	1.4
175.03903	7.8
175.07582	0.5
175.11290	0.5
175.14824	1.1
177.16286	0.5
179.03413	0.5
181.06480	0.5
183.02867	1.3
183.08070	0.5
183.11574	0.4
184.05270	0.8
185.00896	0.4
185.02386	1.9
185.05988	0.9
185.13231	1.1
187.03845	0.6
187.14772	0.5
189.05499	1.0
189.16331	0.6
191.06812	0.4
197.05995	0.5
199.03862	1.1
199.07574	1.6
199.14795	1.0
201.01816	5.4
201.16376	2.0
202.02591	2.9
202.04758	0.4
203.03391	100.0
204.03760	1.5
213.05431	2.3
213.16426	1.1
215.03357	1.2
215.07053	0.5
215.17929	0.5
216.06395	1.6
217.08707	0.5
227.07195	2.0
227.10612	1.1
227.17972	0.4
230.04372	2.0
231.06537	1.3
231.10132	0.5
241.04974	1.5
241.08708	1.1
243.06531	2.5
244.06062	1.1
245.04655	0.4
245.06900	1.5
251.10719	0.6
257.11850	0.4
258.05191	1.1
259.05743	0.4
269.08090	4.6
269.11737	3.1
269.22647	2.5
272.90958	0.4
273.03970	0.4
273.06308	27.0
287.05499	66.6
287.08911	5.1
287.12762	7.0
287.16382	1.1
287.20114	1.0
287.23624	8.9
288.05804	1.9
288.08649	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0913
Annotation	Heraclenin
Peak:m/z	Relative Intensity
54.76237	0.4
55.05503	0.9
57.07077	8.9
58.06605	0.8
58.07397	0.8
62.06097	3.1
65.03661	0.4
65.03942	5.5
67.05505	32.7
69.07073	0.6
71.08645	2.7
71.18479	0.7
79.05491	0.5
81.07077	0.5
85.06542	19.9
85.10165	0.6
87.09541	0.4
89.03899	0.8
91.05468	0.6
95.08622	0.6
103.05418	0.7
103.81712	0.4
107.08592	0.5
107.88761	0.5
111.27897	0.5
112.25018	0.5
119.08628	0.6
129.03375	1.4
129.07011	0.6
131.04922	5.7
145.02863	2.5
147.03227	1.0
147.04408	19.7
153.01848	1.2
156.17409	0.6
157.02855	2.9
157.06488	0.6
159.04451	2.2
171.04401	0.9
171.08070	0.5
173.00978	0.6
173.02351	6.3
174.03119	1.3
174.18506	1.9
175.03905	8.0
185.02313	1.6
185.09656	0.5
187.03993	0.6
194.98743	0.4
195.08084	0.5
198.06752	0.5
198.12798	0.5
199.03802	0.6
199.13216	0.6
201.01833	4.3
202.02609	3.2
203.03394	100.0
204.03673	1.3
212.23735	3.0
213.09058	3.1
213.24004	0.9
215.03374	1.3
215.06779	0.5
227.07039	1.2
230.24780	11.9
231.25151	6.3
235.93982	0.5
243.06558	1.7
269.08069	2.9
273.06418	0.5
286.31036	30.8
287.05481	4.3
287.09103	4.6
287.12726	1.4
287.16394	1.9
287.19620	0.6
287.31375	16.5
302.70853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0912
Annotation	Heraclenin
Peak:m/z	Relative Intensity
55.05512	0.7
57.07076	3.5
59.04993	1.1
65.03936	6.0
67.05502	29.9
69.07040	0.6
69.57304	2.8
79.05484	0.6
84.89056	0.4
85.06541	20.1
89.03908	0.7
91.05470	0.6
93.07027	0.9
103.05451	0.7
105.07040	0.5
107.08618	0.7
109.10186	0.6
129.03352	1.6
131.04924	5.1
135.11656	0.7
144.10196	2.8
145.02870	2.1
147.04404	20.1
153.01810	0.8
157.02823	2.8
159.04420	2.1
173.02336	5.3
174.03081	1.6
175.03891	7.7
185.02420	2.4
187.03918	0.6
187.80031	0.4
199.03955	1.1
201.01836	3.7
202.02634	2.7
203.03386	100.0
204.03746	1.6
211.02777	0.4
215.03401	1.1
227.07008	1.5
241.08627	1.0
243.06480	2.0
269.08200	3.2
279.31784	0.4
287.05469	4.0
287.09103	5.0
287.23587	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0912
Annotation	Heraclenin
Peak:m/z	Relative Intensity
55.05503	1.3
55.12743	0.3
57.07076	10.2
59.04999	21.4
63.51383	0.4
65.03928	2.0
66.24016	0.4
67.05505	11.9
69.83907	0.4
76.04711	0.4
81.07033	0.6
85.06544	19.3
91.05480	2.4
93.07042	0.5
99.02143	0.3
103.05450	1.5
105.07030	0.8
107.08623	0.6
109.10126	0.5
119.04935	1.0
119.08582	0.5
123.54335	0.4
127.82066	0.3
131.04913	6.6
133.10104	0.4
144.10207	1.1
145.02849	0.9
147.04404	20.0
152.79182	0.4
153.01804	1.0
157.02855	0.6
159.04417	6.2
159.11653	0.4
173.02328	1.6
174.03142	1.1
175.03880	4.1
185.02351	1.0
187.03825	0.5
201.01826	1.6
202.02574	2.9
203.03384	100.0
204.03674	1.5
215.03403	0.4
243.06429	1.0
269.08023	1.2
273.06500	0.5
287.05533	4.3
287.09106	36.7
287.20157	0.7
287.23691	1.2
288.05826	0.4
288.09097	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72923	0.6
55.05499	0.9
57.07073	7.0
59.04999	9.1
60.84878	0.6
65.03937	3.8
67.05508	21.0
69.90208	1.4
69.90598	1.1
81.07059	1.0
85.06544	16.6
89.03886	0.5
91.05466	1.6
97.10259	0.5
98.21419	0.7
103.05462	0.6
104.71808	0.6
105.07032	0.9
109.10156	0.7
110.48334	0.5
119.04948	0.7
119.61552	0.5
121.10139	0.6
129.03386	1.2
129.06946	0.5
131.04933	5.3
135.11780	0.5
144.10207	5.4
145.02856	1.0
145.10155	1.0
147.04411	20.1
147.11676	0.6
153.01831	1.3
157.02837	2.0
157.06540	0.6
159.04419	3.9
167.70078	0.5
173.02332	3.5
174.03101	1.4
175.03903	5.8
185.02339	1.5
187.03963	0.6
195.62462	0.5
199.03783	0.6
201.01796	3.6
202.02742	2.7
202.04378	0.5
203.03395	100.0
204.03737	1.9
215.03381	0.7
227.07043	0.9
243.06493	1.1
269.08096	2.0
287.05539	7.6
287.09134	20.2
287.19998	1.5
287.23660	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0914
Annotation	Heraclenin
Peak:m/z	Relative Intensity
55.05518	1.0
57.07077	4.0
60.02582	0.4
65.03944	6.3
67.05509	32.0
68.69363	0.4
69.07063	1.7
70.12305	0.9
70.12722	1.3
71.08624	0.4
79.05487	1.9
81.07069	2.0
83.04988	0.4
83.08606	0.7
85.06548	18.5
89.03928	1.1
91.05492	2.4
93.07055	3.1
95.08607	1.6
105.07035	1.4
107.08595	2.6
108.08112	1.1
109.10168	1.9
117.06987	0.7
119.08578	1.1
121.02853	0.6
121.10139	1.5
123.11697	0.5
129.03349	1.3
129.06967	0.8
131.04958	4.9
131.08618	0.7
133.02795	0.6
133.10138	1.7
135.11693	5.0
137.09637	0.5
143.08545	0.6
144.10210	9.1
145.02913	1.9
145.10085	0.5
147.04419	19.8
147.11768	0.4
149.13240	0.6
153.01794	0.8
157.02843	2.8
159.04416	3.0
159.11690	0.7
171.04424	0.7
173.02364	5.4
174.03168	1.7
175.03928	7.8
185.00937	0.5
185.02344	2.7
185.13338	0.6
187.03885	0.6
189.16362	0.5
197.27069	0.4
199.03749	0.5
199.07634	0.4
201.01872	4.5
202.02594	3.2
203.03407	100.0
204.03723	1.5
213.05354	0.6
215.03473	0.9
225.05452	0.4
225.97893	0.4
227.07062	1.0
241.08632	1.1
243.06541	1.8
256.26321	0.5
269.08142	2.7
269.22717	1.5
273.06262	0.6
287.05508	7.5
287.09116	4.7
287.23691	3.8
288.08749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0912
Annotation	Heraclenin
Peak:m/z	Relative Intensity
54.96982	0.8
55.05522	1.3
57.07074	2.2
59.05030	1.1
60.46119	0.7
63.37019	1.0
65.03934	3.4
65.27795	0.8
67.05508	29.4
67.70510	0.8
69.19910	8.7
81.07076	1.4
85.06541	18.0
93.07022	2.4
95.08616	1.1
97.81197	1.1
106.05750	1.0
107.08580	2.3
119.08572	1.4
121.10105	1.7
128.88269	0.9
131.04900	5.3
133.10155	1.3
135.11688	2.9
144.10204	15.0
145.02858	1.6
147.04414	16.4
153.01773	1.8
157.02827	2.3
159.04440	2.4
159.11647	1.3
173.02339	5.1
175.03877	7.0
185.02382	2.1
199.03893	1.0
201.01796	5.5
202.02637	2.2
203.03397	100.0
203.15132	1.1
204.03716	1.2
207.20871	0.9
215.03293	1.0
216.26990	0.9
227.07077	1.1
241.08560	1.1
243.06532	2.4
263.40262	1.2
269.08194	3.1
269.22546	1.1
287.05527	9.4
287.09158	8.4
287.12366	1.5
287.19678	1.2
287.23642	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	287.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	0.5
60.03336	0.3
65.03941	0.7
67.05497	1.2
68.40542	0.4
68.99805	0.3
69.07071	14.1
70.86924	0.8
71.71043	0.4
79.05499	0.7
81.07055	0.5
85.06551	0.7
87.80406	0.3
89.03925	1.0
89.15601	0.3
91.05471	1.8
92.34109	0.4
93.07040	1.1
95.08614	0.9
105.06979	0.6
107.04951	1.4
107.08625	0.7
109.10168	0.4
118.04077	0.4
119.04908	0.9
121.02879	0.5
121.06496	0.4
121.10142	0.4
129.03358	0.4
131.04929	5.4
133.10132	0.4
134.03593	0.6
135.04405	1.8
144.10213	3.0
145.02858	7.7
147.04410	4.4
147.11674	0.4
149.02328	0.6
153.01820	0.5
157.02849	0.4
159.04402	1.2
161.02431	0.4
162.03125	0.4
163.03917	7.6
173.02353	53.7
173.13181	0.4
174.02858	0.9
175.03911	6.0
187.03899	5.1
187.07570	0.5
191.03340	2.0
198.02486	0.3
201.01828	2.9
202.02579	2.6
203.03392	6.3
215.07076	2.5
217.01392	0.9
218.02121	2.9
219.02895	100.0
220.03224	1.7
227.06912	0.5
231.02870	2.7
286.31155	0.5
287.05484	4.3
287.09116	6.5
287.12384	0.7
287.23621	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	287.0914
Annotation	Heraclenin
Peak:m/z	Relative Intensity
55.05497	0.8
57.07079	3.3
65.03666	0.5
65.03948	5.9
67.05509	33.7
68.42078	0.4
69.24763	3.3
72.95416	0.5
79.05486	0.9
81.07071	0.6
85.06551	18.0
89.03925	0.9
91.05463	1.0
92.53900	0.4
93.07040	1.3
98.20766	0.7
103.05444	0.5
103.62614	0.4
105.07036	1.0
107.08570	0.8
109.10159	0.6
119.04955	0.4
119.08572	0.5
121.10114	0.7
129.03345	1.0
131.04936	4.9
131.08548	0.4
133.10129	0.5
135.11691	1.6
143.08533	0.7
144.10214	1.0
145.02841	1.8
147.04420	19.2
153.01805	1.0
157.02853	3.2
159.04399	2.3
161.06009	0.4
171.04376	0.5
173.02368	5.3
174.03175	1.2
175.03915	6.6
185.02342	1.8
185.13206	0.5
201.01831	3.9
202.02661	2.7
203.03406	100.0
204.03783	1.5
209.64543	0.4
215.03444	1.0
215.07037	0.5
219.76617	0.5
227.07133	0.7
241.08511	0.9
243.06573	1.9
255.30183	0.4
269.08112	3.0
286.31006	0.9
287.05511	5.7
287.09131	4.4
287.12405	0.9
287.20084	0.5
287.23633	1.5
287.31384	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0913
Annotation	Heraclenin
Peak:m/z	Relative Intensity
55.05508	0.7
57.07076	3.3
65.03934	4.2
67.05511	29.0
71.11941	1.5
85.06546	21.3
89.03911	1.4
115.99066	0.6
128.29938	0.6
129.03381	1.5
131.04948	4.5
145.02856	2.0
147.04424	17.9
157.02863	2.6
159.04416	1.7
173.02344	5.5
174.03203	0.9
175.03902	7.3
178.41556	0.6
185.02365	1.8
187.03839	0.8
199.80821	0.7
201.01839	4.7
202.02594	3.0
203.03407	100.0
204.03773	1.7
215.03433	1.3
227.07066	1.0
243.06567	2.4
269.08121	4.2
287.05478	1.7
287.09134	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	287.0914
Annotation	2',4',6'-Trihydroxy-4-methoxychalcone
Peak:m/z	Relative Intensity
53.03940	0.3
55.01864	0.5
55.05536	0.2
66.04720	0.2
67.01867	6.5
67.05482	0.4
68.99788	3.4
69.00167	0.2
69.03435	1.4
69.07073	0.3
70.11569	0.6
71.05000	0.2
79.01869	0.3
79.05504	1.5
81.03413	0.7
81.07034	0.6
83.01328	0.6
91.05475	0.6
93.07042	0.6
94.04179	0.3
95.04976	0.5
95.08616	0.6
97.02891	1.2
97.06544	0.2
103.05459	1.3
105.07034	2.0
107.08600	0.3
109.06548	1.3
109.10140	0.6
111.00800	0.8
118.04172	1.8
119.08566	0.6
121.02871	0.4
121.06507	2.3
121.10212	0.2
123.04433	0.4
123.11652	0.2
125.02374	0.7
127.03928	0.6
127.11196	0.2
129.01825	0.7
133.06494	16.8
135.04434	0.3
135.08047	3.0
137.05980	2.0
139.93852	0.2
145.10153	0.5
146.03671	0.2
147.04446	0.3
147.11705	0.4
151.03841	0.6
153.01830	100.0
154.02173	1.1
157.10072	0.2
159.11723	0.4
161.05983	35.6
161.93546	0.2
162.06346	0.4
165.01868	0.2
165.05487	0.6
171.02893	16.1
179.03427	1.8
201.16293	0.4
203.03355	0.3
203.06998	0.7
213.16475	0.2
216.51134	0.2
224.53365	0.2
245.08115	0.4
269.08063	0.4
269.11749	0.3
269.22635	0.3
287.05634	3.5
287.09131	50.0
287.23605	0.7
288.09525	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71271	0.4
55.05495	1.5
57.07077	4.5
59.04995	0.8
62.06091	0.7
65.03943	5.8
67.05510	31.2
69.07075	2.8
71.08637	0.6
79.05490	1.4
81.07069	2.9
83.04974	0.5
85.06547	18.0
89.03923	1.0
91.05490	3.3
93.07050	3.2
94.83834	0.4
95.05000	0.6
95.08611	2.7
103.05470	0.9
104.77719	0.5
105.07047	3.3
107.08572	2.2
109.10182	2.2
109.53447	0.4
117.07019	0.9
119.08598	2.5
121.10117	2.3
123.11695	1.6
129.03362	1.3
129.06943	0.7
131.04942	5.6
131.08571	1.5
133.10147	3.3
135.11687	1.7
141.07117	0.5
143.08560	1.7
144.10181	1.2
145.02847	1.6
145.10139	1.2
147.04414	19.3
147.11668	2.0
149.09599	0.5
153.01820	1.1
157.02863	2.7
157.10112	1.2
159.04442	2.6
159.11707	1.3
171.11778	1.2
173.02348	4.0
173.13278	1.5
174.03130	1.8
175.03926	6.5
175.14848	1.0
185.02341	1.6
185.13283	1.1
187.03940	0.7
187.14804	1.2
199.03888	0.5
199.14809	0.8
201.01813	3.5
201.16354	0.7
202.02661	3.3
203.03404	100.0
203.17960	0.6
204.03764	1.7
213.16333	1.4
215.03299	0.7
227.07037	0.9
227.17883	0.7
231.02882	0.8
241.08698	0.7
243.06592	1.8
259.24298	1.2
265.32544	0.4
269.08154	2.6
269.22641	3.3
272.11838	0.6
286.31061	2.8
287.05487	6.4
287.09109	5.5
287.20346	0.8
287.23660	9.1
287.31281	2.1
288.08862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0912
Annotation	2',4',6'-Trihydroxy-4-methoxychalcone
Peak:m/z	Relative Intensity
53.03935	0.3
55.01869	0.4
55.05513	0.5
59.60207	0.2
67.01865	5.2
67.05510	0.6
68.99783	2.6
69.03421	1.7
69.07063	0.9
69.51320	0.9
69.51728	0.5
71.04977	0.3
79.01848	0.3
79.05492	2.3
81.03427	0.6
81.07062	1.2
83.01361	0.4
83.04956	0.9
85.02897	0.3
85.06553	0.2
89.16746	0.2
91.05489	0.6
92.84645	0.2
93.07038	0.6
94.04179	0.4
94.44730	0.2
95.04979	0.7
95.08620	0.8
97.02936	1.1
97.06508	0.2
103.05460	1.5
105.07023	1.8
107.04923	0.5
107.08593	1.0
109.02855	0.2
109.06518	1.6
109.10169	0.6
111.00804	0.7
111.08102	0.2
115.05495	0.2
118.04151	2.0
119.04971	0.2
119.08532	1.1
121.02821	1.2
121.06503	2.5
121.10142	0.5
123.11712	0.4
125.02336	0.6
127.03874	0.5
128.06166	0.3
129.01828	0.7
129.07024	0.4
131.08586	0.5
133.02878	0.4
133.06487	16.9
133.10136	0.6
135.08041	2.8
135.11707	0.3
137.02350	0.2
137.05992	2.2
137.09653	0.3
143.08540	0.3
145.06454	0.3
145.10127	0.5
147.04434	0.4
147.08038	0.4
147.11797	0.5
149.13284	0.3
151.03925	1.4
153.01825	100.0
154.02138	1.0
155.08646	0.2
157.10143	0.5
158.43089	0.2
159.07977	0.3
159.11703	0.6
161.05977	38.5
162.06322	0.5
165.01807	0.5
165.05449	0.5
171.02887	15.2
171.08075	0.6
171.11661	0.3
173.05975	0.3
173.13254	0.3
173.51372	0.2
175.07571	0.3
177.09085	0.3
179.03366	1.6
185.06033	0.3
185.09679	0.6
189.05521	0.3
199.07654	0.2
199.11185	0.3
201.16342	0.9
203.03397	0.5
203.07011	0.9
213.05490	0.4
213.09108	0.2
213.16420	0.3
215.10616	0.2
221.08073	0.2
227.07111	0.2
227.10672	0.6
227.14301	2.3
231.06592	0.4
244.06071	0.4
245.08087	0.5
245.11661	0.4
269.08127	0.6
269.11932	0.6
269.15314	0.6
269.22574	0.5
287.05518	9.8
287.09088	55.6
287.23422	1.6
288.06052	0.3
288.09500	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0911
Annotation	2',4',6'-Trihydroxy-4-methoxychalcone
Peak:m/z	Relative Intensity
57.07080	6.1
59.04999	14.5
67.01850	3.2
67.05493	3.3
68.99792	2.2
69.03416	1.7
69.07056	1.6
70.66393	2.2
79.05481	1.9
82.38706	0.7
85.06548	10.8
91.05489	2.1
91.72807	0.8
93.07078	0.9
95.04980	0.8
95.08595	0.8
103.05455	2.9
104.05721	0.7
105.07015	2.4
109.06521	1.2
118.04147	2.1
119.08529	1.2
121.02847	0.8
121.06498	3.3
121.10149	1.0
131.04951	4.3
131.08493	0.8
132.10201	1.0
133.06497	19.6
133.10085	0.8
135.08067	1.7
137.05981	2.7
145.02879	0.8
147.04414	12.4
153.01826	92.5
159.04454	4.7
161.05980	43.9
171.02917	4.6
173.02299	1.3
174.03085	2.1
175.03894	2.7
201.01924	1.9
202.02617	12.8
203.03392	61.5
213.05475	0.9
215.03423	0.9
244.06117	0.8
258.07700	2.7
273.06262	1.3
286.07071	1.3
287.05533	14.5
287.09134	100.0
287.19766	1.5
287.23529	1.4
288.09012	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0912
Annotation	Heraclenin
Peak:m/z	Relative Intensity
57.07064	2.6
60.90243	0.6
65.03951	6.5
67.05510	29.9
70.64806	1.6
81.65166	0.5
85.06548	20.1
89.03930	0.9
103.05447	1.1
129.03343	1.5
131.04929	5.4
145.02844	2.1
147.04416	20.1
153.01868	0.6
157.02870	3.6
159.04495	2.1
171.04376	0.7
173.02341	6.4
174.03166	1.9
175.03923	8.4
185.02336	2.6
201.01857	5.0
202.02542	3.0
203.03398	100.0
204.03735	1.2
215.03384	1.3
227.07271	0.7
232.07878	0.7
241.08511	0.8
243.06578	2.1
269.08163	4.3
287.09061	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0911
Annotation	Heraclenin
Peak:m/z	Relative Intensity
55.05487	1.0
57.07082	2.1
64.42353	0.3
65.03618	0.4
65.03938	5.4
67.05502	29.9
68.05761	0.3
68.99780	2.0
69.07052	0.7
79.05473	0.6
81.07040	1.0
85.06540	18.8
89.03905	0.7
91.05455	1.1
93.07043	1.0
95.04955	0.9
95.08582	0.7
97.06515	0.3
101.83931	0.3
103.05453	1.0
105.03355	1.1
105.07009	0.8
106.89274	0.3
107.04918	0.8
107.08558	1.2
109.02908	0.4
109.10130	0.8
111.00761	0.8
117.06954	0.4
119.04906	0.7
119.08562	0.8
121.02876	3.8
121.06456	0.6
121.10159	0.6
123.11665	0.5
129.03328	0.9
131.04927	5.6
131.08575	0.5
133.02850	0.5
133.10103	0.6
135.11638	0.4
137.02304	1.1
145.02849	1.8
145.10130	0.7
147.04404	19.9
147.11678	0.5
151.03911	0.5
153.01819	5.6
157.02823	3.2
157.06491	0.5
157.10124	0.3
159.04387	2.0
159.11708	0.7
165.01819	1.3
165.05374	0.3
171.04404	0.8
173.02347	5.1
174.03128	1.5
175.03909	6.4
183.02910	0.8
185.00761	0.9
185.02328	2.0
185.05978	0.8
197.05998	0.4
199.03957	0.7
199.07581	0.7
199.14861	0.4
201.01819	4.4
202.02646	2.5
203.03383	100.0
204.03775	1.5
213.05464	2.0
215.03421	1.5
227.07010	1.3
231.06528	0.7
241.04953	1.0
241.08600	0.9
243.06520	3.5
258.05292	0.9
259.05872	0.5
269.05075	0.5
269.08066	4.0
269.11172	0.4
287.05499	48.6
287.08899	3.0
287.23560	1.8
288.05899	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0913
Annotation	Isogosferol
Peak:m/z	Relative Intensity
51.63978	0.3
53.16703	0.3
55.05493	0.9
57.07079	2.4
60.05626	0.3
63.07805	0.3
65.03615	0.5
65.03941	6.4
65.38114	0.3
65.49016	0.3
65.89178	0.3
67.05506	30.8
68.99824	0.4
69.03421	0.5
69.07050	0.3
69.94314	0.8
69.94730	1.2
79.05480	0.6
80.98220	0.3
81.07046	0.8
83.04987	0.6
85.06547	19.7
89.03906	0.9
91.05477	1.2
91.59239	0.3
93.07048	0.9
95.04980	0.3
97.02882	1.1
98.20723	0.5
103.05452	0.6
105.07019	1.0
107.04897	0.7
107.08607	0.8
109.10141	0.6
119.08585	0.5
121.02838	0.4
121.06496	0.5
121.10109	0.6
124.36781	0.3
125.02341	1.7
129.03375	1.0
131.04936	5.2
131.08565	0.3
133.06448	0.5
135.08073	0.4
145.02861	2.2
145.10086	0.5
146.03682	0.4
147.04416	19.1
147.89838	0.3
153.01831	4.6
157.02846	2.4
157.06516	0.5
157.10117	0.4
159.04428	2.2
159.11714	0.4
161.06027	1.9
171.02975	0.6
173.02347	3.5
174.03122	1.3
175.02776	0.3
175.03920	6.9
185.02350	1.1
187.03874	0.5
191.99399	0.4
199.03874	0.7
201.01849	2.4
202.02565	1.4
203.03397	100.0
204.03725	1.2
226.62263	0.3
227.07135	0.5
243.06461	0.7
269.08188	1.6
269.15372	0.8
287.05490	7.1
287.08960	2.2
287.12668	0.7
287.16458	1.4
287.19989	1.3
287.23398	0.7
289.06207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0911
Annotation	Heraclenin
Peak:m/z	Relative Intensity
55.05510	0.6
57.07079	14.2
59.05002	26.5
59.93130	0.4
64.54745	0.4
65.03938	0.4
65.30914	0.4
67.05494	1.1
70.77698	0.4
70.78031	0.8
75.74990	0.3
77.03879	0.4
81.28297	0.4
85.06546	16.7
91.05472	2.3
103.05442	1.4
103.87780	0.4
119.04941	1.1
119.11729	0.4
131.04034	0.6
131.04932	7.2
147.04410	15.3
159.04408	6.2
175.03894	1.5
202.02638	1.7
203.03398	100.0
204.03734	1.6
286.74872	0.4
287.09149	56.8
288.09531	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03949	0.2
55.01857	0.2
55.05509	0.2
58.40562	0.1
61.50168	0.1
62.12645	0.1
65.03935	0.4
67.01871	0.8
67.05502	0.4
68.99789	2.6
69.03426	0.3
69.07069	0.4
69.84008	0.4
69.84416	0.2
71.01350	0.2
72.10815	0.1
72.27757	0.1
79.05497	0.9
81.03425	0.5
81.07072	0.6
83.04974	0.2
91.05484	0.4
93.07052	0.5
95.01353	0.2
95.04963	0.7
95.08596	0.3
97.02868	0.2
98.20775	0.1
101.53490	0.1
103.05457	0.3
105.03394	1.1
105.04495	0.1
105.07021	0.5
107.04951	1.5
107.08594	0.5
109.02886	0.9
109.06521	0.1
109.10187	0.3
111.00812	1.6
111.04447	0.4
111.94248	0.1
113.06690	0.1
115.05474	0.2
117.07037	0.3
119.04942	0.2
119.08589	0.4
121.02870	7.4
121.03870	0.3
121.06516	0.4
121.10143	0.3
127.03900	0.2
128.06235	0.2
129.07007	0.4
131.04936	0.1
133.02855	0.9
133.06480	0.8
133.10123	0.2
135.04427	0.6
135.08063	0.2
135.11676	0.2
137.02347	2.2
137.05972	0.2
141.06989	0.3
145.06511	0.6
145.10106	0.3
147.04416	1.6
147.11676	0.1
149.02344	0.2
149.09720	0.1
149.13284	0.1
151.03885	0.3
153.01831	15.4
154.02194	0.2
157.06488	1.4
157.10156	0.2
159.07845	0.1
159.11696	0.3
161.02284	0.1
161.05984	2.1
165.01840	3.6
165.05473	0.6
167.03491	0.2
169.06546	0.2
171.02885	1.0
171.04434	0.7
171.11549	0.1
173.06029	0.1
173.13293	0.2
175.03902	0.3
175.07516	0.2
179.03447	0.1
183.02892	1.8
184.05038	0.1
185.05966	1.3
187.07657	0.1
187.79347	0.1
189.05531	0.4
191.07150	0.1
194.02119	0.1
197.05988	0.2
199.03775	0.1
201.16374	0.3
203.03386	0.5
203.07120	0.4
213.05475	3.2
213.16478	0.1
216.04179	0.2
217.04915	0.1
224.37769	0.1
227.10469	0.1
229.05061	0.6
231.06516	1.4
241.04936	1.7
257.04544	0.2
258.05292	2.5
259.06009	0.8
269.04404	0.4
269.11746	0.4
269.22684	0.2
270.05176	0.2
273.06308	0.4
287.05505	100.0
287.23401	0.7
288.05847	2.7
288.08801	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44231	0.2
55.01865	0.2
58.79735	0.1
62.15792	0.1
65.03947	0.8
67.01857	0.3
67.05509	1.8
67.85548	0.1
68.99789	1.9
69.03421	0.2
71.10546	0.2
71.10884	0.3
79.05475	0.6
81.03403	0.3
81.07066	0.2
85.06544	1.7
95.04979	0.3
97.99076	0.2
103.05448	0.3
105.03397	1.1
105.98683	0.2
107.04967	0.9
109.02862	0.8
109.69901	0.2
111.00797	1.6
111.04411	0.5
115.05431	0.4
117.07001	0.3
119.04946	0.2
119.05805	0.2
121.02866	6.1
121.03864	0.4
127.03874	0.2
128.06194	0.3
129.06998	0.5
130.30063	0.2
131.04985	0.8
133.02870	1.2
135.04434	0.5
137.02333	2.1
138.43442	0.2
141.07013	0.3
145.02867	0.2
145.06453	0.7
147.04411	3.5
151.03856	0.2
153.01826	11.3
157.02882	0.3
157.06516	1.3
159.04401	0.4
161.05943	0.5
165.01842	3.6
169.06506	0.3
171.04404	0.8
173.02347	0.5
175.03871	0.6
183.02907	1.7
185.02324	0.2
185.05989	1.2
189.05438	0.2
197.05956	0.4
199.03925	0.2
199.07646	0.2
201.01837	0.3
201.09160	0.2
202.02599	0.2
203.03401	8.8
203.07088	0.3
204.03865	0.2
213.05444	3.0
213.36159	0.2
213.45880	0.2
216.04269	0.2
229.04988	0.6
230.32875	0.2
230.35217	0.2
231.06479	1.2
241.04971	1.7
242.05737	0.2
243.06477	0.5
258.05264	2.1
259.05957	1.0
269.04486	0.4
269.08112	0.4
287.05487	100.0
288.05884	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Fisetin
Peak:m/z	Relative Intensity
51.02409	0.2
53.03939	0.3
55.01867	0.2
55.05497	0.7
55.58902	0.2
57.07065	0.3
57.72089	0.2
65.03934	0.8
67.01856	0.5
67.05507	2.0
67.40584	0.2
68.99431	0.2
68.99789	1.9
69.03419	0.4
69.07070	1.3
70.06592	0.2
71.01344	0.3
71.04974	0.3
71.51849	0.2
79.05489	1.3
79.36649	0.2
81.03407	0.5
81.07056	2.0
83.01369	0.2
83.05009	0.3
83.08607	0.2
85.06546	1.0
91.05473	0.9
93.07049	1.2
95.04975	1.1
95.08599	1.6
97.06522	0.6
97.10129	0.2
103.05445	0.2
105.03396	1.2
105.07027	1.3
107.04987	1.4
107.08607	1.2
109.02890	1.1
109.06523	0.2
109.10145	1.3
111.00805	1.4
111.04442	0.7
111.08102	0.2
115.05415	0.2
117.06970	0.3
119.04900	0.4
119.08580	1.2
121.02864	9.4
121.03922	0.5
121.06503	0.5
121.10112	0.8
123.04408	0.2
123.11701	0.6
125.05954	0.3
125.09573	0.2
127.03918	0.9
128.06236	0.3
129.06941	0.8
131.04918	0.4
131.08543	0.6
133.02855	1.2
133.06488	0.4
133.10156	0.8
135.04398	0.3
135.08044	0.3
135.11668	0.4
137.02359	2.4
137.09579	0.2
141.06946	0.3
143.08548	0.3
145.06450	0.5
145.10086	0.6
147.04410	2.5
147.11678	0.7
149.02361	0.3
149.05977	0.4
149.13254	0.4
151.03893	1.2
153.01826	11.0
157.06470	1.4
157.10106	0.6
159.08028	0.3
159.11742	0.8
161.02245	0.2
161.05966	0.4
161.13257	0.4
163.03828	0.3
163.11166	0.2
165.01842	3.2
165.05513	0.4
167.03421	0.4
169.06438	0.3
171.03076	0.2
171.04399	0.9
171.11736	0.2
173.02315	0.2
173.05875	0.2
173.13228	0.5
175.03912	0.8
175.07535	0.3
175.11183	0.2
175.14877	0.3
177.12741	0.2
181.10074	0.2
183.02934	1.4
185.05949	1.2
185.13202	0.3
187.14761	0.2
189.05406	0.5
189.16362	0.3
197.05977	0.5
199.03822	0.3
199.07494	0.3
199.14937	0.2
201.01770	0.2
201.05513	0.2
201.16364	0.5
203.03392	4.1
203.07060	0.4
213.05492	3.1
213.16431	0.6
215.07022	0.2
215.17986	0.3
217.08453	0.2
227.07074	0.4
227.10629	0.3
229.04936	0.5
229.19580	0.2
230.04430	0.4
231.06522	1.2
241.04984	2.0
243.06520	0.4
243.13365	0.3
243.21268	0.3
244.05954	1.1
245.04396	0.2
258.05365	2.1
259.05945	0.8
269.04413	0.6
269.11725	0.7
269.14871	0.2
269.22675	0.5
272.05554	0.6
273.06296	1.4
287.05487	100.0
287.23627	3.2
288.05762	2.6
288.08707	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.1
55.01875	0.1
55.05507	0.2
65.03896	0.1
67.01866	1.6
67.05502	0.4
67.79187	0.1
68.99441	0.1
68.99790	2.0
69.03432	0.2
69.07060	0.3
70.06596	0.1
70.85989	0.2
71.04983	0.2
77.03923	0.1
79.05486	0.7
81.03422	0.3
81.07052	0.7
83.04974	0.3
83.08646	0.1
85.02921	0.1
86.09695	0.1
89.03919	0.8
91.05491	0.5
93.07048	0.5
95.04975	0.5
95.08612	0.7
97.02892	0.2
97.06528	0.1
97.10191	0.1
103.05493	0.1
105.03384	0.3
105.07024	0.4
107.04970	0.6
107.08583	0.4
109.02879	0.4
109.06508	0.1
109.10157	0.4
111.00803	0.4
111.04433	0.2
115.05461	0.1
117.03345	0.7
117.07010	0.2
119.04941	0.1
119.08580	0.3
121.02858	1.2
121.10155	0.2
122.06066	0.1
123.04405	0.2
123.11702	0.1
125.02247	0.1
125.09683	0.1
127.03923	0.3
128.06216	0.2
129.01842	0.4
129.06999	0.3
131.08568	0.3
133.02888	0.5
133.06419	0.1
133.10127	0.4
135.04414	4.1
135.08047	0.1
136.08728	0.1
137.02332	1.6
137.03302	0.1
137.05972	0.1
139.05426	0.2
143.08566	0.2
145.06500	0.3
145.10098	0.3
147.04408	0.5
147.11676	0.2
149.02342	0.3
149.05975	0.1
149.09720	0.1
151.03885	0.4
153.01826	12.2
154.02153	0.1
157.06480	0.4
159.11673	0.2
161.02347	1.5
161.05923	0.2
161.13226	0.1
163.03885	0.1
165.01855	0.7
167.03436	0.2
167.04893	0.2
171.02908	1.4
171.04393	0.2
171.11743	0.1
173.05978	0.2
173.13307	0.1
175.03931	0.2
175.07581	0.2
179.03401	0.7
183.02892	0.3
185.05994	0.5
185.13239	0.1
189.05457	0.2
199.03902	0.2
201.05531	0.1
203.03366	0.2
203.07117	0.1
213.05527	1.0
217.04935	0.1
217.08611	0.1
219.06548	0.3
223.03745	0.1
227.03413	0.1
229.04898	0.1
229.08740	0.1
231.06520	0.4
241.04953	1.7
245.04424	0.3
250.87724	0.1
258.05151	0.4
259.05948	0.3
259.09952	0.1
263.05505	0.1
269.04453	0.6
269.11697	0.3
269.22675	0.2
272.05356	0.1
287.05481	100.0
287.23425	0.6
288.05838	3.4
288.08472	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.1
53.03942	0.1
55.01869	0.1
59.40423	0.0
59.55660	0.0
65.03934	0.4
67.01860	0.4
67.05486	0.1
68.99788	2.5
69.03426	0.3
69.51759	0.3
71.01347	0.1
77.03939	0.1
79.01874	0.1
79.05491	0.7
81.03419	0.4
81.07042	0.1
85.02881	0.1
85.95999	0.1
91.05451	0.2
93.03419	0.1
93.72468	0.0
94.04205	0.1
95.01311	0.1
95.04976	0.4
95.08607	0.1
97.02884	0.1
103.05476	0.3
105.03386	1.1
105.07020	0.1
107.04951	1.3
107.08572	0.0
108.02122	0.1
109.02878	0.9
109.10190	0.1
111.00799	1.7
111.04441	0.5
115.05435	0.2
117.06995	0.1
119.04931	0.2
119.08581	0.1
121.02860	8.0
121.06476	0.1
121.10097	0.1
122.03152	0.1
123.04409	0.1
125.02393	0.1
125.52219	0.1
127.03919	0.3
128.06192	0.2
129.07005	0.5
131.04921	0.1
133.02847	1.1
133.06454	0.1
135.04387	0.4
136.01506	0.1
136.07588	0.1
137.02333	2.7
139.05431	0.1
141.06967	0.3
143.04910	0.1
145.02805	0.1
145.06485	0.6
146.32745	0.0
147.04396	1.4
149.02299	0.1
150.03174	0.1
151.03876	0.2
153.01819	12.7
154.02148	0.1
155.06030	0.1
157.06479	1.6
160.05278	0.1
161.02313	0.1
161.05957	0.5
163.03877	0.1
164.07080	0.1
165.01828	4.3
166.02428	0.1
167.04871	0.1
168.05688	0.1
169.06493	0.2
171.02911	0.1
171.04381	0.8
171.05716	0.1
171.47234	0.0
173.05942	0.2
175.03914	0.2
175.07559	0.2
177.05563	0.1
179.03383	0.1
181.01314	0.1
183.02882	1.9
183.04517	0.1
184.05238	0.1
185.05956	1.3
189.05479	0.4
193.01169	0.1
194.02118	0.1
195.04269	0.1
197.06033	0.3
199.03867	0.2
201.05519	0.2
202.06259	0.1
203.03429	0.2
203.07057	0.4
212.04608	0.1
213.05450	3.7
214.05853	0.1
216.04221	0.2
217.04922	0.1
229.04979	0.5
230.05522	0.1
231.06503	1.5
241.04936	1.8
242.05588	0.2
243.06583	0.3
245.04384	0.2
257.04565	0.1
258.05231	2.7
259.05978	1.0
263.05505	0.1
269.04416	0.5
269.22388	0.0
270.04883	0.1
272.02939	0.1
286.04666	0.1
287.05478	100.0
288.05801	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03938	0.1
55.01867	0.2
63.42294	0.0
65.03934	0.4
67.01865	0.3
68.99786	2.1
69.03422	0.2
69.07063	0.1
69.47880	0.2
69.48312	0.2
71.01340	0.1
79.05493	0.6
80.61559	0.0
81.03425	0.3
81.07035	0.1
83.01351	0.1
88.43722	0.1
91.05478	0.1
93.03373	0.1
95.01338	0.1
95.04954	0.4
96.02076	0.1
97.02876	0.1
103.05468	0.2
105.03380	1.0
105.06981	0.1
107.04218	0.1
107.04948	1.1
107.08598	0.1
109.02875	0.8
111.00801	1.4
111.04436	0.4
115.05456	0.2
117.07018	0.1
119.04942	0.1
119.08648	0.1
121.02863	6.8
121.03895	0.3
121.84998	0.1
122.03181	0.1
124.88083	0.1
125.02371	0.1
127.03915	0.2
128.06235	0.2
129.07018	0.4
131.04936	0.1
133.02852	1.1
133.06563	0.1
135.04430	0.3
135.08058	0.1
137.02335	2.2
138.02678	0.1
139.05432	0.1
141.06947	0.3
143.04869	0.1
145.02786	0.1
145.06485	0.6
147.04402	1.4
151.03896	0.1
153.01823	11.0
154.02179	0.1
155.04910	0.1
157.06480	1.3
160.05194	0.1
161.02309	0.1
161.05957	0.4
163.03934	0.1
165.01831	3.5
166.02542	0.1
169.06505	0.2
170.02303	0.1
171.02983	0.1
171.04402	0.7
173.05969	0.1
175.03886	0.2
175.07602	0.1
179.03543	0.1
183.02892	1.6
183.04510	0.1
184.05203	0.1
185.05978	1.1
188.04637	0.1
189.05484	0.3
191.03394	0.1
194.02090	0.1
197.06042	0.3
199.03854	0.1
201.05533	0.2
202.06329	0.1
203.03342	0.1
203.07054	0.4
213.05457	3.2
214.05821	0.1
216.04204	0.3
217.04909	0.1
229.04921	0.5
230.05595	0.1
231.06490	1.4
241.04951	1.6
242.05669	0.1
243.06567	0.2
245.04407	0.1
258.05225	2.3
259.05997	0.8
264.19769	0.1
269.04492	0.4
270.04935	0.1
286.04602	0.1
287.05481	100.0
288.02582	0.1
288.05798	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Fisetin
Peak:m/z	Relative Intensity
51.86795	0.1
53.03947	0.1
54.27497	0.1
55.01860	0.2
55.05508	0.1
55.67234	0.1
57.39367	0.1
65.03946	0.4
67.01863	0.4
68.99788	2.2
69.03426	0.3
69.99755	0.2
70.00156	0.1
70.06580	0.3
71.01379	0.1
72.08154	0.4
74.06081	0.1
79.05482	0.7
81.03427	0.4
81.07076	0.1
83.04962	0.2
84.08137	0.3
85.02870	0.1
86.09714	0.3
91.05459	0.2
93.03397	0.1
93.07063	0.1
95.04960	0.4
95.08616	0.1
97.02892	0.1
97.06528	0.1
98.21417	0.1
99.04469	0.1
103.05457	0.2
105.03378	1.0
105.07019	0.2
107.04951	1.3
107.08566	0.1
109.02874	0.9
111.00793	1.5
111.04420	0.5
115.05444	0.3
116.07056	0.1
117.07014	0.2
118.17083	0.1
119.04944	0.2
120.08070	0.1
121.02862	9.2
121.03888	0.3
122.03188	0.1
123.04399	0.1
127.03903	0.8
128.06198	0.2
129.06987	0.5
129.10228	0.3
131.03893	0.1
131.04907	0.2
133.02861	1.1
133.06499	0.1
135.04439	0.4
135.08049	0.1
137.02333	2.5
139.05373	0.1
141.06966	0.5
143.04918	0.1
144.08092	0.2
145.02759	0.1
145.06509	0.7
147.04388	1.6
147.08032	0.1
149.02356	0.1
151.03876	0.2
153.01820	10.6
154.02159	0.1
157.06467	1.3
161.02411	0.1
161.05946	0.4
162.05415	0.1
163.03873	0.1
165.01833	3.6
166.02438	0.1
167.03394	0.1
169.06454	0.1
171.02921	0.2
171.04413	0.7
173.05943	0.2
175.03897	0.2
175.07639	0.1
179.03526	0.1
183.02887	1.6
184.05144	0.1
185.05962	1.1
188.04633	0.1
189.05440	0.3
194.02068	0.1
195.05696	0.1
197.06013	0.2
199.03851	0.2
201.05515	0.3
203.03407	0.2
203.07028	0.3
212.04660	0.2
213.05446	3.1
214.05814	0.2
216.04169	0.2
217.04929	0.2
225.05069	0.1
229.04996	0.3
231.06523	1.4
241.04945	2.0
242.05611	0.2
243.06520	0.2
245.04424	0.2
258.05231	2.1
259.06052	0.9
269.04584	0.5
287.05478	100.0
288.05811	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	286.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23097	0.9
57.03445	1.4
57.07083	6.6
58.06582	1.4
62.06080	3.2
66.25356	1.0
66.92954	1.1
67.05543	1.1
69.07071	25.2
69.10908	0.9
69.46198	7.2
71.08641	6.4
75.04488	1.8
75.43032	0.9
81.07067	1.0
115.05442	3.3
118.06567	1.0
130.06543	5.3
137.09276	1.0
137.58719	0.9
139.07440	0.9
142.06525	67.4
143.06937	1.5
144.08095	1.2
147.04420	1.7
156.08093	6.8
156.17485	2.9
160.07573	18.4
167.07236	1.7
168.08101	2.2
169.08871	2.4
170.06009	8.1
170.09619	9.0
172.11221	2.3
174.18581	9.3
182.09669	6.9
184.11186	7.3
185.12039	1.7
186.12839	1.3
188.07156	1.4
194.09613	1.4
196.11208	1.4
198.12787	77.4
199.09935	2.0
199.13091	1.6
200.10686	12.1
203.03389	5.1
212.10738	11.1
212.14275	2.0
226.12279	27.9
230.11778	3.0
240.17479	6.0
250.15941	1.3
268.16962	19.4
268.30051	1.0
286.17996	4.3
286.31046	100.0
287.05487	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	286.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
53.76590	0.8
55.01864	1.4
55.05500	3.1
56.05029	2.1
56.96560	4.9
57.03439	4.1
58.06586	2.0
59.04990	3.0
60.04511	1.8
60.05650	1.0
61.02926	4.1
63.00032	0.9
68.05011	2.0
69.03414	3.2
69.07059	1.9
69.84839	3.9
70.06593	33.0
71.01354	1.5
71.04994	6.2
72.08158	9.9
73.02894	1.8
74.06067	1.1
79.05486	3.0
80.05007	2.1
81.03413	1.2
81.06655	1.0
81.07058	12.8
82.04102	1.0
82.05305	1.9
83.06097	10.3
84.04482	3.6
84.08141	8.0
85.02898	5.3
85.08477	1.1
86.09711	4.5
87.08112	1.6
91.05465	1.5
93.04528	5.5
94.06567	1.3
95.04964	1.2
95.05521	1.2
95.06093	16.6
96.04492	1.2
97.02859	3.3
98.06018	1.0
98.97591	5.6
98.98431	0.7
100.07539	0.8
102.05591	0.9
105.03372	1.6
105.06979	1.0
106.02869	1.1
106.06537	2.1
107.04972	1.3
107.06084	2.2
107.35353	0.9
109.05138	8.0
110.03510	1.9
110.07164	100.0
111.05550	2.4
111.06732	1.3
111.07478	1.9
112.05092	1.3
112.07600	9.9
112.08727	6.0
113.09618	1.2
114.05531	1.6
115.08626	1.0
116.07104	5.7
116.98594	3.9
119.03545	1.6
119.07329	0.9
121.05183	1.1
121.07616	2.3
124.03956	30.3
124.07551	3.0
125.04545	1.1
126.05451	0.8
126.06874	0.9
126.07760	14.0
127.06130	3.5
128.98557	1.5
129.10182	2.0
130.05014	1.3
130.08640	2.0
134.99654	1.9
136.06192	7.8
136.07152	1.2
137.04581	18.2
138.07724	4.5
140.07072	6.1
143.00249	1.0
143.11826	0.9
144.10187	2.0
146.09602	1.3
146.99602	1.0
150.07675	1.1
152.05626	0.9
154.07234	53.1
155.04456	1.0
155.05600	2.3
156.07693	13.4
157.09723	1.0
163.12300	55.7
164.12709	1.3
166.06079	1.7
166.07300	1.1
168.13806	0.9
170.99686	0.8
173.01094	0.8
173.09233	2.1
174.04465	1.3
175.11864	1.5
177.00648	1.1
185.09171	4.9
190.13412	8.0
191.02200	1.3
193.13335	1.2
196.08255	1.7
204.05376	1.7
205.62665	1.0
208.14445	10.7
210.15958	1.2
219.01697	1.5
219.11203	1.8
221.05054	1.5
223.07567	1.6
226.09254	1.0
227.10339	1.3
232.08282	0.9
235.14922	0.9
236.13879	8.7
237.02773	2.1
240.10214	1.7
240.17061	7.9
254.14998	21.6
268.10236	2.0
269.11707	1.0
286.09003	3.9
286.11826	10.1
286.14856	3.0
286.17587	75.2
287.05374	2.5
287.11230	6.2
287.17911	3.8
287.23575	1.1
309.08514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.0
55.05505	0.9
57.07070	0.8
59.04996	1.1
65.03938	0.9
67.05499	2.4
68.99787	1.3
69.03425	0.5
69.07064	3.3
69.98880	1.8
70.06572	0.5
79.05480	2.1
81.03399	1.0
81.07037	1.6
85.06534	1.6
91.05481	3.1
93.07034	1.6
95.04951	2.7
95.08607	1.0
98.13260	0.7
99.00812	4.1
105.03384	0.6
105.07013	1.1
106.06575	1.6
107.04914	0.8
108.08101	1.3
109.06509	0.9
109.10131	1.7
117.07037	0.7
118.06525	0.9
118.27473	0.5
119.04993	0.8
120.08109	15.8
120.08955	1.1
121.02885	1.1
121.06513	0.5
121.08405	0.6
121.10152	0.8
123.04482	0.6
128.04938	1.1
129.86995	0.6
130.06529	15.0
131.04872	1.3
131.07361	2.5
131.08356	0.5
132.08083	4.9
133.02812	0.9
134.06013	32.1
135.04419	2.8
135.06313	1.0
137.05966	0.7
142.06558	0.6
144.08072	12.8
145.06488	0.8
146.05991	4.8
147.04404	2.6
148.07561	2.6
149.02318	1.8
149.07907	2.2
149.09674	0.7
150.09099	0.7
151.03928	3.5
151.09453	0.7
153.01828	2.2
156.08081	4.5
158.06029	6.5
160.07571	8.8
162.09122	0.9
165.01839	1.1
165.05487	1.3
167.03404	5.7
168.08104	2.5
170.06073	0.7
175.03874	1.7
176.04225	1.5
176.07086	5.9
178.05035	3.7
184.07590	8.0
187.06279	0.6
188.07045	11.7
189.05508	0.9
190.59119	0.5
194.12517	0.7
198.05431	0.7
199.07675	0.7
202.02576	0.7
202.08672	2.9
203.03419	9.5
204.06531	8.2
212.07057	18.4
212.14380	0.6
215.05777	1.9
218.08203	0.7
228.06590	1.5
230.08119	100.0
231.06459	1.2
231.08479	2.5
240.06386	0.7
241.07385	1.5
241.12225	2.6
242.08121	3.7
243.05347	1.3
244.06134	0.8
256.06033	19.8
257.06458	0.7
258.05246	0.6
258.07590	3.2
269.11710	2.3
270.04971	1.1
270.07526	4.8
271.05298	1.6
271.08316	9.8
286.07269	12.4
286.10757	32.2
286.14362	16.4
286.17267	0.7
286.27496	0.8
287.05469	8.0
287.08856	2.7
287.12720	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	286.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.05512	2.5
56.05030	2.2
56.96564	4.5
57.03434	2.0
57.07066	0.9
59.04999	2.1
60.05634	0.6
61.02928	6.6
63.21512	0.6
67.05491	0.8
68.05025	1.3
68.40266	0.5
69.03417	2.1
69.07069	1.3
70.05384	3.0
70.06593	44.7
71.01334	0.6
71.04994	6.5
71.06931	1.0
71.08616	0.6
72.08162	5.2
73.02917	1.0
74.02442	0.6
74.06094	0.7
79.05476	2.8
80.05037	1.7
81.03436	1.7
81.04563	0.7
81.07059	13.7
82.05324	1.7
83.05000	0.8
83.06104	11.7
84.04498	2.3
84.08144	5.2
84.65577	0.6
84.96043	0.5
85.02914	3.8
85.06592	0.5
86.09715	2.5
87.08081	1.4
91.05460	0.7
93.04536	5.9
95.05008	0.9
95.06094	15.7
96.04485	1.0
97.02897	2.2
98.06055	0.6
98.97562	5.1
99.04446	0.7
100.03966	0.8
103.03909	0.6
104.09726	0.6
105.03380	0.9
107.06084	2.3
109.05126	1.0
109.07636	0.6
110.07167	100.0
111.05572	2.1
111.07478	0.6
112.07610	21.4
112.08722	3.7
116.07094	3.1
116.98620	3.3
119.01911	0.7
119.06055	0.9
119.95418	0.6
121.07629	1.4
122.06082	0.9
123.04427	0.7
123.60212	0.6
124.03960	13.7
124.07591	1.1
126.05466	0.7
126.07790	2.2
126.09176	0.7
127.03938	1.3
127.87402	0.5
128.07066	0.7
128.98648	1.7
129.06656	0.6
129.10242	1.0
130.05034	0.7
130.08618	1.5
131.00156	0.9
134.99649	1.8
136.06175	1.8
136.07661	0.7
137.04579	3.2
138.07748	0.9
140.07068	16.1
144.10213	0.8
146.09674	0.9
146.99648	1.3
153.05458	1.5
154.04626	0.7
154.07234	9.2
156.06435	1.1
156.07686	14.6
156.98123	0.5
157.09709	1.0
158.99622	1.1
161.01250	1.4
163.12305	54.5
164.12688	1.1
166.06116	1.8
169.13382	1.5
171.11310	0.7
173.01231	1.0
173.09227	0.9
174.04358	0.6
175.11990	0.6
177.00673	1.9
185.09232	5.4
186.04420	1.3
187.02635	0.6
189.00728	1.1
190.13394	9.1
191.02304	1.0
193.13412	1.8
197.12859	0.9
203.02257	0.6
204.05399	1.4
207.01726	1.0
208.14456	11.4
209.12811	0.8
210.16002	1.3
219.01807	1.0
219.11375	2.4
227.06808	0.7
236.13962	9.0
237.02809	1.8
240.10341	1.2
240.13303	0.8
240.17064	9.3
241.15393	0.8
254.14998	22.5
257.68170	0.6
261.81436	0.6
268.16595	1.2
286.08948	1.5
286.17606	76.9
287.05441	1.6
287.11026	3.6
287.17902	2.5
309.08502	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1073
Annotation	Toddaliopsin A
Peak:m/z	Relative Intensity
57.07077	3.3
58.06588	0.5
62.06094	1.8
67.05494	1.4
68.24570	0.3
70.23446	1.2
70.23797	0.3
71.08636	1.9
72.08135	0.7
81.03395	0.9
81.07063	0.3
82.03728	0.4
85.02901	0.5
85.06541	0.7
87.04448	0.7
91.05493	0.7
93.06960	0.3
95.04957	0.4
98.21416	0.5
119.08498	0.3
142.06555	0.5
147.04333	0.4
156.17426	0.7
174.18513	1.4
175.03990	0.5
194.12604	0.7
198.12801	0.7
199.06075	0.3
200.07047	1.1
203.03441	3.3
212.07051	0.6
212.13567	0.4
212.23705	1.4
214.08638	0.6
225.07816	0.7
226.08635	1.0
226.25276	0.5
227.05743	1.5
227.09387	0.7
228.06540	3.4
230.24783	7.6
240.06538	0.7
241.07266	1.8
242.08113	12.4
243.05342	0.7
243.08908	4.2
253.07410	0.6
254.08168	0.9
255.05298	1.3
255.08720	0.7
256.06094	3.1
258.07672	0.8
270.07608	26.1
271.08389	37.6
272.08801	0.6
273.06296	6.9
275.12360	0.4
286.10727	100.0
286.31027	30.4
287.05457	2.4
287.11145	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0709
Annotation	Marcanine D
Peak:m/z	Relative Intensity
53.56165	0.3
54.79103	0.3
57.03420	0.6
65.49109	0.3
67.01852	0.5
67.05493	0.9
68.99773	0.6
69.07043	0.5
69.54602	2.3
70.06594	1.7
72.08134	0.5
79.05478	1.0
81.03416	3.8
81.07040	0.9
82.03736	1.4
82.07398	0.4
83.08609	0.6
84.08137	0.7
85.02890	0.9
86.09701	0.8
91.05487	0.9
92.05796	0.6
92.40824	0.3
93.07053	0.7
95.04953	1.2
95.08604	0.5
96.03898	0.3
96.04502	0.3
96.05301	0.6
98.21438	0.6
105.07011	0.3
106.07362	0.6
107.04974	2.5
107.08556	0.5
109.02876	0.3
110.07133	0.3
111.08045	0.7
112.33391	0.3
115.05493	0.8
119.04972	0.3
121.02854	0.8
121.06500	0.6
121.10097	0.3
122.10426	0.4
124.03950	1.5
129.06961	0.3
130.06494	0.4
130.07364	0.5
131.08606	0.3
132.08923	0.4
134.05986	0.7
135.04399	1.1
137.05965	0.5
139.03912	0.5
142.06473	0.7
143.04903	0.5
147.04416	0.5
150.09920	0.3
153.01833	2.8
154.06490	1.3
157.06497	0.5
158.05917	0.4
159.06766	0.8
162.06700	0.5
165.01877	0.4
170.06013	3.6
170.80595	0.4
172.03885	0.6
173.04651	1.0
174.05499	2.2
176.11555	0.7
181.63063	0.3
182.06029	0.9
184.07635	0.8
185.04611	0.6
185.06078	0.5
185.09283	0.4
186.05511	1.5
187.06262	5.9
187.07736	0.6
191.05673	0.6
193.12216	0.4
194.12593	1.9
198.05513	6.9
199.04538	0.4
199.06235	2.1
200.03493	1.6
200.07065	0.6
201.04175	1.2
202.04973	1.5
202.08514	0.4
206.04457	0.9
210.05478	2.0
212.07082	1.4
213.05589	0.6
214.05011	1.2
215.05780	7.8
216.06424	0.5
219.05309	0.5
220.06088	0.4
222.57747	0.3
226.04990	5.5
226.09239	0.4
227.05757	2.4
228.03061	0.4
228.06525	1.5
230.08138	1.3
236.03398	0.4
238.05048	1.8
240.06555	3.6
242.04446	2.3
242.08067	0.5
243.05251	14.7
244.05894	1.8
253.03912	0.3
254.04448	1.9
254.08946	0.4
256.05902	0.7
257.06897	0.5
258.05219	0.3
258.07629	7.4
268.06076	2.8
268.10565	0.4
268.16275	0.8
268.61160	1.7
269.04541	0.4
269.11609	1.0
270.03909	1.0
271.04749	5.8
277.12494	0.4
286.07098	100.0
287.05399	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0707
Annotation	Marcanine D
Peak:m/z	Relative Intensity
53.00291	0.3
53.03940	0.7
55.01856	0.3
59.51823	0.3
63.41542	0.3
65.03948	0.3
65.68281	0.3
69.07064	0.5
69.18171	0.3
69.41233	1.9
69.41640	0.5
70.06521	0.3
75.37702	0.3
81.03418	9.6
81.07042	0.5
85.02901	0.6
88.07638	0.3
91.05485	0.4
95.08583	0.4
105.03442	0.4
120.04463	0.5
121.02848	0.4
128.24294	0.3
130.06607	0.5
133.06432	0.4
134.05981	1.2
142.06490	1.2
145.05243	0.5
146.06004	0.9
147.04433	0.4
153.01846	1.7
154.06517	1.1
159.06818	0.9
160.03917	0.3
161.06006	0.5
162.05507	1.4
165.01845	0.6
165.05533	0.7
170.06000	3.6
172.03868	0.5
172.07404	0.3
173.04756	0.9
174.05460	2.5
177.04172	0.4
182.06041	1.2
183.02876	0.6
184.07581	0.5
185.04695	0.6
186.05528	1.8
187.06281	6.5
188.03334	0.3
191.05717	0.6
197.04599	0.4
198.05507	6.7
198.93491	0.3
199.04185	0.5
199.06264	2.4
200.03397	1.4
200.07007	0.8
201.04181	2.4
202.04950	2.0
202.08696	0.3
203.03372	0.4
206.04515	1.4
210.05501	3.0
212.06941	1.4
213.05548	0.4
214.04918	1.4
214.08879	0.3
215.05766	9.6
216.06482	0.6
219.05411	0.4
225.04285	0.4
226.04968	5.5
226.09065	0.6
227.05693	1.5
228.02805	0.5
228.06567	1.3
230.08160	1.8
236.03439	0.3
238.05014	1.8
239.05913	0.7
240.06523	3.5
241.05205	0.3
242.04456	3.0
243.05267	14.0
244.05951	2.1
246.03954	0.4
253.03790	0.5
254.04536	1.7
254.08807	1.4
256.05978	1.1
257.07013	0.4
257.70590	0.3
258.07617	11.0
268.06046	2.8
270.03940	1.5
271.04761	5.5
272.05368	0.9
286.07098	100.0
286.22394	0.8
286.25668	0.8
287.05026	4.1
287.08118	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0708
Annotation	Marcanine D
Peak:m/z	Relative Intensity
50.53596	0.3
52.39540	0.2
67.05497	0.8
76.89314	0.3
81.03392	0.5
81.07054	0.5
85.06541	0.4
114.94017	0.3
140.66035	0.3
142.06480	0.5
147.04440	0.6
151.50565	0.3
153.01895	0.8
154.06479	0.5
159.06825	0.3
168.08107	0.3
169.05244	0.4
170.06017	1.9
171.06827	0.3
172.07555	0.4
182.06046	2.5
184.07649	0.4
186.05505	0.5
187.06308	2.7
196.07651	0.7
197.04721	1.4
197.08371	2.6
198.05492	2.2
199.06242	0.6
200.03519	0.4
200.07014	0.7
202.05048	0.3
202.08611	1.3
203.03401	2.5
204.06592	0.5
210.05550	0.5
212.07147	0.6
213.04129	0.4
214.04985	1.8
215.05769	9.6
216.06532	2.5
223.06223	0.5
225.04236	1.2
225.07841	15.5
226.04987	7.7
227.05759	1.8
228.06555	3.9
229.03661	2.3
230.08086	3.8
236.03505	0.6
236.05629	0.6
238.05093	0.5
240.06570	5.7
241.07262	0.6
242.04480	1.9
242.08192	1.1
243.05275	13.2
244.05898	1.6
253.07335	13.5
254.04509	8.5
255.05219	1.1
256.06076	4.4
257.06845	0.7
258.07617	12.4
259.08069	0.3
268.06042	4.1
270.07626	1.0
271.04846	3.5
271.08408	13.9
272.05408	0.4
286.07120	100.0
286.10703	34.3
287.07849	2.2
287.10632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.01861	4.6
55.05511	18.6
57.03155	2.1
57.03439	33.9
57.07072	4.7
63.00032	3.3
65.03934	3.2
67.05507	31.3
69.03410	8.3
69.07076	14.5
69.27299	7.4
69.27722	10.8
71.04974	9.3
79.05492	30.3
81.03418	100.0
81.06590	2.8
81.07055	39.4
83.04972	13.4
83.08620	36.2
85.02905	58.0
85.06523	5.3
87.04452	2.0
91.05479	36.6
93.07048	22.4
95.04964	41.5
95.08597	18.6
97.02895	2.9
97.06534	4.6
97.10171	4.2
98.21476	3.5
99.04432	2.9
105.07030	27.3
107.04942	6.7
107.08569	10.8
109.06512	5.1
109.10132	7.6
111.04375	6.1
111.08086	20.0
113.05985	4.9
115.05444	3.7
117.06959	2.5
119.08579	30.8
121.06499	2.2
121.10162	17.3
123.08054	4.8
123.11697	8.7
129.07001	14.0
131.08545	16.2
133.06456	6.1
133.10133	11.4
134.05919	3.0
137.09624	2.8
139.46541	1.7
142.07753	2.4
143.08540	3.7
145.10135	5.5
147.04420	4.7
147.08049	3.7
147.11668	22.8
149.09612	8.6
153.01772	2.0
157.10130	21.1
159.04457	2.7
159.11696	5.8
160.28111	1.7
162.61931	1.7
165.12779	5.4
169.10150	4.7
171.11691	4.4
173.13210	2.8
175.03923	14.4
175.11185	25.1
179.08669	2.1
183.11633	3.0
187.03886	2.4
189.09100	2.0
193.12242	91.6
194.12524	1.9
195.11659	2.1
197.13193	3.0
199.14742	2.6
201.05479	4.1
202.02670	3.2
203.03363	3.0
211.13272	63.3
215.07141	3.2
217.01321	7.0
225.08910	2.0
225.16310	5.7
229.08588	3.6
242.05685	11.8
242.08112	7.3
243.10219	5.5
253.08687	2.8
258.07544	2.5
267.15833	6.8
270.05112	4.7
270.07635	9.4
271.08380	18.0
284.95963	2.6
285.03989	6.3
285.07532	37.3
285.10382	2.3
285.16837	53.7
285.22147	5.9
285.29761	12.4
286.07428	6.9
286.10706	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Botryaloic acid
Peak:m/z	Relative Intensity
53.03933	4.2
55.01860	3.5
55.05513	12.7
56.96555	2.8
57.03442	7.5
57.07061	1.3
65.03926	1.5
67.05181	1.7
67.05508	25.6
68.99774	1.2
69.03426	6.7
69.07074	7.1
70.06602	5.5
71.04995	9.2
71.06936	1.2
71.47858	1.6
72.08150	1.1
79.05082	1.3
79.05496	19.8
81.03420	100.0
81.07059	22.1
83.04976	7.2
83.08629	22.2
84.08123	1.4
85.02911	12.9
85.06538	3.8
86.09706	4.0
87.04483	1.3
91.05478	21.1
93.07039	18.2
95.04976	27.6
95.08609	18.2
97.02882	5.3
97.06514	6.0
99.04440	1.9
99.08101	3.0
100.11211	1.4
103.05485	1.3
105.03395	2.6
105.07040	15.5
107.04981	7.9
107.08605	10.5
109.02885	3.2
109.06494	5.6
109.10161	5.8
111.04436	3.1
111.08079	11.7
112.07577	1.5
113.06028	1.1
113.07966	1.0
115.05415	1.7
117.07016	3.7
119.04935	2.5
119.08585	14.2
119.54407	1.1
121.02892	2.3
121.06514	3.4
121.10136	12.9
123.04308	1.2
123.08071	4.0
123.11708	1.5
125.06004	1.4
125.09558	1.1
127.03867	3.1
129.07010	10.0
130.06517	1.5
130.08672	1.0
131.08565	10.5
133.06519	5.3
133.10141	8.4
135.08040	2.8
135.11705	6.1
137.09566	3.0
141.07062	1.1
142.07800	3.6
143.08517	2.6
145.06502	1.5
145.10074	3.2
147.04372	2.0
147.08051	3.3
147.11702	8.9
149.09639	6.6
149.13312	1.3
151.03903	3.0
153.07051	1.2
153.12793	1.4
155.08414	1.8
157.07587	1.6
157.10129	10.3
159.11731	1.6
161.05942	2.1
161.09622	1.2
165.05597	1.4
165.07045	2.7
165.12721	2.6
167.03438	1.4
167.10661	1.5
171.11620	1.3
175.11192	13.2
179.08311	1.6
181.06451	2.1
183.02869	4.4
183.08069	1.5
183.11644	1.3
185.13329	1.7
187.07481	1.8
187.14883	2.1
189.05302	1.2
189.16379	2.9
193.06453	2.2
193.12250	43.8
197.09729	1.3
204.07262	6.8
210.06689	1.6
211.13197	8.3
213.07843	1.5
213.16325	2.7
221.05949	2.7
225.03790	1.5
225.09048	5.9
229.08527	1.7
231.17526	1.8
249.18510	4.8
253.08574	8.9
267.10196	2.0
267.13803	1.2
267.15906	11.0
267.19479	3.9
285.04025	2.1
285.07437	5.6
285.11395	6.8
285.14481	2.0
285.17023	4.4
285.22153	4.2
286.07193	4.7
286.11975	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
54.69832	0.9
55.01860	4.5
55.05511	17.4
57.03441	15.1
59.04981	1.3
65.03933	1.6
67.05502	22.7
69.03436	7.5
69.07065	7.1
70.06599	2.3
71.01352	1.0
71.04986	3.9
72.08180	1.3
77.03928	1.1
79.05068	2.0
79.05493	20.5
81.03417	100.0
81.07057	22.9
83.04981	17.8
83.08616	21.1
83.09069	2.2
85.02903	22.1
85.06519	2.6
89.03910	5.8
91.05482	24.8
91.06020	1.6
93.07044	13.9
95.04971	32.2
95.08610	14.0
97.02894	4.5
97.06527	4.6
97.10172	1.1
98.20622	1.9
99.08086	1.6
105.03423	2.0
105.07030	19.1
107.04945	8.0
107.08590	8.1
108.97147	1.1
109.02885	1.3
109.06516	4.4
109.10168	6.0
111.04472	2.9
111.08091	13.1
112.07613	1.3
113.05997	2.2
115.05446	3.3
117.03414	1.3
117.07013	1.6
119.04926	2.9
119.08573	19.2
121.02856	2.7
121.06506	3.4
121.10157	9.8
123.04378	1.4
123.08069	3.5
123.11742	3.1
128.06229	1.5
129.07024	8.8
130.06474	1.4
131.04907	1.2
131.08574	12.0
131.73694	1.1
133.02829	1.6
133.06493	3.6
133.10135	10.0
137.06000	1.9
137.09613	1.7
141.07065	1.5
142.07785	3.5
143.08553	3.2
145.02829	8.8
145.06476	2.4
145.10129	4.3
146.03654	2.8
147.04414	4.7
147.08023	4.0
147.11693	15.3
149.05943	1.9
149.09637	5.2
151.03964	2.9
152.94009	1.4
153.07048	1.7
155.08585	1.9
157.10138	13.6
159.11710	1.5
161.02280	2.7
161.06015	5.9
165.01776	5.6
165.05565	2.4
165.07005	6.3
165.12772	4.2
168.08061	2.7
169.08789	2.4
169.10141	1.2
171.04443	1.4
171.11700	2.4
173.02351	24.4
174.03105	8.7
175.03885	2.5
175.11192	15.6
179.08455	1.5
181.06532	1.8
181.10121	1.3
182.07312	2.2
183.02881	4.9
183.08060	2.0
185.13228	1.4
187.07542	2.1
187.14861	1.2
189.05594	1.2
189.16203	1.1
193.06497	4.9
193.12241	56.1
194.07193	1.2
196.08893	1.5
197.09529	1.5
197.13336	1.3
198.13597	1.1
199.03999	1.6
199.14845	3.4
201.01825	24.8
202.02614	25.4
202.04472	0.9
203.03412	13.7
210.06754	4.6
211.07443	1.6
211.11336	2.4
211.13272	24.0
212.14311	3.5
213.16447	1.5
215.03470	1.9
217.01285	10.4
217.02759	1.0
219.02950	1.5
221.06041	6.3
225.09105	10.4
229.08640	2.7
229.13989	1.4
238.06252	2.2
239.07071	3.4
242.05759	3.3
243.06686	1.8
243.17352	1.4
253.08601	22.8
254.09106	2.1
257.08041	5.2
267.15927	10.8
267.20947	1.5
268.10880	1.9
270.08917	1.6
285.07571	26.6
285.11212	14.2
285.14447	1.9
285.17142	18.7
285.21909	10.5
286.07172	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	285.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01867	0.2
55.05502	0.7
56.96556	0.6
57.03421	0.4
57.07061	0.4
62.50938	0.2
63.00033	0.2
65.03932	0.4
67.05511	1.0
69.03442	0.3
69.07059	0.8
70.27626	0.8
70.27967	0.2
71.04978	0.3
77.03925	0.4
78.04698	0.2
79.05498	3.1
79.54589	0.2
81.03409	0.8
81.07054	1.4
83.04994	0.2
83.08611	0.6
83.86556	0.2
85.02911	0.5
87.44171	0.2
89.03898	0.4
91.05481	5.5
93.07023	0.7
95.04944	1.3
95.08601	0.9
96.59536	0.2
97.02848	0.2
97.10175	0.4
98.97546	0.3
102.17028	0.2
104.46523	0.2
105.03399	0.5
105.07021	0.8
106.06553	8.4
106.07269	0.5
107.04961	1.3
107.08575	0.8
109.06528	1.1
109.07179	0.2
109.10117	0.5
116.04971	4.7
116.98592	0.3
119.04915	0.3
119.06071	0.4
119.08569	0.5
121.10162	0.6
124.05267	0.3
128.10857	0.2
129.06989	0.3
131.00125	0.2
131.08511	0.3
131.25511	0.2
132.04431	0.4
133.10135	0.3
134.06012	100.0
135.06383	1.1
135.08023	0.7
135.11684	0.3
147.03203	0.2
147.04401	0.3
147.11708	0.4
149.01219	0.5
152.10695	0.4
156.03555	0.3
157.10083	0.3
175.03874	1.3
175.11069	0.2
181.08839	0.7
182.09216	2.0
187.03931	0.2
189.05466	0.4
193.12187	0.3
195.10083	0.3
196.11177	0.6
197.11559	2.5
197.13234	0.3
201.05464	0.6
204.10858	0.4
211.13229	0.4
215.49934	0.2
217.08664	0.2
224.14230	0.3
225.11052	0.8
229.08517	0.3
239.16322	0.3
242.05794	0.6
243.08923	0.9
253.08633	0.4
267.15576	1.6
270.05380	0.6
285.04303	0.3
285.07568	2.8
285.11087	2.0
285.13602	0.7
285.16098	4.1
285.21991	0.4
285.63699	0.4
286.07233	1.4
286.10745	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1485
Annotation	Magnatriol B
Peak:m/z	Relative Intensity
53.03914	3.1
55.05508	11.3
56.96556	1.5
57.03414	4.5
57.07064	2.2
63.00028	2.0
63.46831	1.3
65.03919	3.3
67.05180	1.4
67.05502	20.5
69.03398	1.6
69.07066	26.1
69.18883	1.1
70.06567	2.0
71.04980	2.3
71.53030	1.7
71.66570	1.2
71.66990	1.3
77.03896	2.4
79.05493	13.8
81.03428	13.0
81.07058	22.6
83.04985	13.6
83.08624	6.3
84.08113	1.6
85.02877	5.2
91.04982	1.7
91.05479	22.8
92.78020	1.1
93.06589	1.3
93.07050	14.9
95.04980	8.2
95.08604	24.4
97.02845	1.4
97.10123	2.5
103.05431	2.1
105.03364	3.7
105.07033	24.1
107.04929	4.0
107.08598	19.9
109.06495	4.5
109.10161	15.8
111.08009	1.5
115.05408	4.0
117.06975	4.8
118.79951	1.3
119.04895	3.1
119.08572	12.6
121.06470	5.3
121.10148	10.9
123.08013	1.5
123.11671	2.7
128.06184	4.9
129.06969	5.6
131.04878	3.6
131.08551	4.1
133.02789	3.1
133.06432	3.5
133.10104	7.2
135.04407	6.4
137.05946	3.3
141.06940	3.8
142.07733	4.1
143.08511	3.7
144.05690	2.0
144.08066	2.1
145.06439	5.0
145.10078	4.2
147.04358	5.1
147.07997	3.7
147.11639	4.3
148.03954	1.3
149.05986	1.4
149.09566	1.7
151.03865	3.1
153.06934	3.5
155.04881	2.3
155.08498	3.7
157.06435	2.0
157.10107	4.6
158.03644	1.9
159.04425	13.8
159.08002	2.5
159.11642	1.4
161.05989	3.5
163.03813	1.8
163.11194	1.4
165.01894	2.7
165.05489	65.2
165.06909	6.2
165.12750	1.4
166.07722	2.0
169.06433	4.3
169.10097	2.3
170.07265	2.2
171.04385	2.5
171.08012	1.9
171.11551	2.4
173.05991	6.5
173.09557	1.7
175.03899	20.7
175.11134	2.6
177.05470	6.0
179.06979	3.8
179.08412	1.8
181.06413	2.7
182.07237	2.1
183.02841	3.3
183.07999	4.2
184.08795	2.0
185.05907	5.4
187.03859	5.1
187.07532	2.8
189.05469	48.4
191.06978	5.2
192.09383	1.5
193.06458	1.5
193.12209	4.8
196.08847	1.6
197.05974	8.0
197.09622	1.9
197.13347	1.6
199.07576	1.3
201.05435	4.9
201.09021	1.8
202.02545	2.5
203.03281	2.0
203.07031	40.7
203.11670	1.9
205.08563	2.0
209.09758	1.4
210.06628	2.1
211.07657	6.7
211.11340	1.4
211.13222	5.1
215.03473	2.9
215.07042	13.0
217.01268	1.9
217.08583	21.2
225.09068	6.3
225.12675	2.8
229.08601	17.3
235.11113	1.7
239.10583	2.3
242.05756	10.9
242.08167	1.3
242.09363	2.2
243.10100	13.7
253.08543	9.1
253.12225	26.9
257.11694	2.7
258.07584	1.8
267.57275	1.3
270.05057	5.6
285.07471	26.8
285.11261	8.8
285.14746	100.0
285.21982	5.5
285.29517	1.4
286.07355	5.9
286.15015	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	285.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01855	1.1
55.05514	6.7
56.96547	0.6
57.03423	1.0
57.07057	1.6
61.86492	0.5
65.03940	1.0
67.05499	5.7
69.03426	0.8
69.07068	24.2
70.02581	2.4
71.04973	0.8
74.78881	0.6
77.03920	0.8
79.05505	3.3
81.03410	2.9
81.07055	8.7
83.04978	1.4
83.08611	4.1
85.02900	1.1
91.05483	12.7
93.03417	0.5
93.07047	2.9
95.04942	2.6
95.08601	4.0
97.10165	1.8
103.05455	1.4
105.07037	5.7
107.04943	1.9
107.08588	2.1
109.06508	1.5
109.10179	4.4
111.11712	0.9
115.05459	3.9
117.07004	3.1
119.04950	4.5
119.08600	2.9
121.06522	1.3
121.10146	1.8
123.11721	3.4
128.06206	3.8
129.06984	3.5
131.04938	8.7
131.08542	2.2
133.02846	1.7
133.06497	3.2
133.10135	1.1
135.04381	1.5
135.08087	0.7
135.11755	0.6
137.05936	0.7
137.09659	0.7
141.01825	0.8
141.06969	1.8
142.07768	1.2
143.04961	1.0
143.07465	0.5
143.08539	2.0
145.06491	4.5
145.10107	2.1
146.03604	0.7
147.04405	20.0
147.08014	0.9
147.11681	2.4
149.09528	0.6
151.03874	1.5
153.06961	0.7
155.08546	1.7
156.09296	0.6
157.06465	1.6
157.10133	2.7
159.04417	24.1
159.08046	1.7
159.11707	1.4
161.05948	2.4
163.03883	2.4
165.01833	4.4
165.07005	5.3
165.12825	0.9
167.06990	0.5
167.08559	1.5
168.05692	1.0
169.06502	1.5
169.10136	1.8
170.06029	0.7
171.11705	1.0
173.02365	0.8
173.05981	9.8
173.13245	0.9
174.53154	0.6
175.03906	100.0
176.04247	1.9
177.05559	0.8
178.07764	1.0
179.08588	0.7
181.06458	1.1
182.07268	2.0
183.02898	4.8
183.08058	1.0
183.11722	0.8
185.09666	0.9
185.13208	0.8
187.03908	17.9
187.07571	6.5
189.05473	14.0
189.09131	1.8
193.06490	2.9
193.12260	1.1
195.08034	0.7
196.08817	0.8
197.05995	1.1
197.09552	1.5
197.13454	0.7
198.05476	0.6
199.11038	0.9
199.14841	1.4
201.05470	24.9
201.09227	1.2
203.07033	5.2
210.06720	2.4
211.07501	2.0
211.13202	1.2
211.14987	0.8
213.05562	1.0
213.09055	3.0
215.07047	38.1
216.06720	1.0
217.08591	23.1
221.06039	3.4
225.09097	7.5
226.04955	0.8
229.08600	14.3
238.06110	1.0
239.07188	0.7
242.05769	9.9
243.05124	1.4
243.10167	17.1
244.06128	2.1
244.10399	0.7
253.08612	11.0
254.09349	1.0
254.59264	0.6
257.04483	0.7
257.11655	2.6
257.15369	2.0
258.07626	2.0
267.10086	1.3
267.20840	0.7
268.10696	0.9
270.05237	3.6
285.04135	1.6
285.07578	30.1
285.11227	8.3
285.14832	22.8
285.21725	3.9
285.29831	0.7
286.07162	9.9
303.12299	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.05509	2.8
57.07066	0.7
62.74353	0.2
65.03936	1.0
67.05513	1.2
69.07071	2.2
72.33383	0.2
75.73622	0.2
79.05493	0.6
81.07054	2.6
82.06809	0.2
83.04964	0.2
83.08614	1.9
85.10170	0.3
91.05482	11.7
93.07034	0.2
95.04977	0.2
95.08597	0.3
96.84163	0.2
97.10174	1.9
103.05446	0.6
105.07035	1.0
109.06503	0.5
109.10160	2.5
115.05453	1.5
117.06989	1.3
119.04938	5.5
121.02886	0.3
123.11699	1.9
124.01596	0.2
128.06221	0.9
129.06987	0.9
131.04927	1.9
131.08611	0.4
133.06474	1.2
135.04372	0.3
141.06992	0.5
142.07767	0.7
142.60623	0.2
143.08571	0.4
144.05652	0.3
145.02905	0.2
145.06485	1.8
147.04408	19.0
152.06184	0.2
153.06976	0.4
155.08530	0.4
157.06511	0.5
157.10139	0.3
159.04417	4.1
159.08028	0.3
161.05968	0.7
163.03902	0.7
163.15759	0.2
167.03401	0.4
167.08542	0.3
169.06551	0.2
173.05989	2.3
175.03908	100.0
176.04240	1.7
176.08363	0.3
177.04262	0.5
177.05627	0.3
181.06528	0.2
183.08057	0.3
185.06004	0.3
185.09602	0.2
187.03918	2.8
187.07487	1.5
189.05467	11.6
189.09026	0.3
190.05847	0.2
194.43260	0.2
197.05960	0.4
197.09581	0.8
198.06729	0.3
198.34291	0.2
199.03860	0.2
199.07529	0.3
200.04666	0.2
201.05473	7.5
201.09142	0.3
203.07030	5.1
204.28798	0.2
208.04332	0.2
211.07603	0.4
213.05482	0.8
213.09093	3.3
215.07040	6.0
215.10512	0.3
216.06516	0.3
217.08618	2.5
225.09117	0.4
227.10709	0.4
229.08598	6.6
231.79152	0.2
242.05701	2.2
243.06168	0.2
243.10182	2.9
257.15335	0.2
267.13757	0.6
270.05197	0.9
285.07614	10.5
285.14822	12.3
286.07965	0.3
286.15002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.05513	5.1
57.03422	0.3
57.07071	1.9
65.03946	1.1
67.05495	1.7
69.07071	20.1
70.61509	0.7
70.61875	0.7
71.08621	0.3
77.03909	0.4
78.96814	0.3
79.05483	1.4
81.07063	3.7
83.08626	2.4
85.75649	0.4
91.05486	9.9
95.01388	0.4
95.08617	0.7
97.10166	1.6
98.20898	0.3
103.05462	1.2
105.07028	1.2
107.04935	0.3
109.10138	2.0
111.11720	1.8
115.05444	1.9
116.06218	0.3
117.07000	2.3
119.04951	4.5
122.46290	0.3
123.11720	2.4
128.06229	3.5
129.07031	2.3
131.04922	9.7
131.08571	0.7
133.06493	3.6
135.04440	0.6
141.06987	1.1
141.32220	0.4
142.07756	0.6
143.04984	0.6
144.05711	0.6
145.06480	3.8
147.04414	17.6
153.01816	2.0
153.06970	0.4
155.05974	0.8
155.08562	0.7
157.06453	0.6
159.04420	23.8
159.08026	1.2
161.06015	1.0
163.03903	1.5
169.06433	0.4
170.07303	0.3
171.07994	0.5
173.05975	9.1
175.03908	100.0
176.04298	2.0
177.05566	0.6
183.08096	0.3
185.05907	0.4
185.09683	0.4
187.03917	17.8
187.07518	6.5
189.05476	12.9
189.09090	0.7
193.12201	0.5
197.05975	1.0
199.03957	0.5
200.04660	0.6
201.05464	25.4
201.09172	1.3
203.07014	4.8
205.08667	0.6
211.07462	0.4
213.05440	1.1
213.09105	2.4
214.06230	0.5
215.07030	37.4
216.07288	0.4
217.08600	19.7
225.09039	0.6
229.08607	15.2
231.10143	0.5
241.08545	0.7
242.05742	30.4
243.06157	0.9
243.10175	22.3
244.10440	0.4
257.11685	1.6
257.15308	1.6
270.05237	12.8
285.07574	79.4
285.14743	21.8
286.07895	3.7
286.15295	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0755
Annotation	Genkwanin
Peak:m/z	Relative Intensity
56.96531	0.4
65.36098	0.3
67.05480	0.7
69.07082	1.5
74.20886	0.3
77.03922	1.7
77.04287	0.3
79.05476	0.4
80.47373	0.3
81.03406	0.7
81.07049	0.9
83.04983	0.3
91.05452	0.5
95.01324	5.2
95.04974	0.6
95.08614	0.5
98.20725	0.5
105.03388	9.0
105.07031	0.4
107.08573	0.4
114.46515	0.2
117.06965	0.3
119.01311	0.3
119.40200	0.3
123.11584	0.3
131.05023	0.4
131.08545	0.4
133.02841	6.0
143.01291	0.7
145.02832	0.7
147.11685	0.6
157.10036	0.3
161.02338	22.2
163.00208	0.3
169.22450	0.3
171.00719	0.6
173.02390	0.3
175.03911	0.5
175.86998	0.3
187.03964	0.4
189.01823	23.3
190.02081	0.3
193.12204	0.6
201.01881	0.3
202.02571	0.7
203.03450	0.3
211.07613	0.3
215.03348	0.9
215.05476	0.4
217.01312	100.0
218.01714	1.6
225.05434	0.6
235.02354	2.6
242.05740	0.8
243.06592	0.9
253.08546	0.3
257.07831	0.5
258.03943	1.7
270.05234	1.0
285.07547	6.9
285.10678	0.4
285.16971	0.4
286.07111	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	7.9
55.05512	2.7
57.03436	4.0
57.07076	10.9
61.07814	1.2
64.64503	1.2
67.05500	4.9
69.07065	4.2
71.08630	4.6
78.86233	1.0
79.05489	3.0
79.58994	1.0
81.03415	3.7
81.07069	8.2
83.08617	2.7
85.10164	2.2
87.76884	1.5
88.07597	1.4
88.26230	1.1
91.05469	4.3
93.07038	2.9
95.01330	7.8
95.04973	4.2
95.08626	6.2
97.10160	1.3
102.09212	1.3
105.07023	4.9
107.08601	1.8
109.10167	2.4
112.12643	1.1
115.05487	1.2
119.08591	5.0
123.11755	1.5
128.06172	1.4
129.07001	4.4
130.07727	1.1
131.08588	2.2
133.06461	2.0
133.10085	1.7
141.07004	3.6
142.07674	1.1
143.08545	6.8
145.06506	2.2
145.10104	5.6
147.11711	2.6
152.06165	4.6
153.06996	5.0
154.07761	4.9
155.08557	7.2
156.09375	1.7
157.06522	3.2
157.10179	5.4
159.08012	1.4
159.11597	1.3
165.07010	15.9
166.07803	7.8
167.08580	11.8
168.09418	2.7
169.06522	1.9
169.10114	12.0
171.11737	2.3
172.95090	1.2
175.03868	5.9
177.06970	1.1
178.07785	35.8
179.08540	16.2
180.09329	4.3
181.06508	4.7
181.10107	6.5
182.07248	4.5
182.10855	1.7
183.08070	10.4
183.11658	5.4
185.09624	2.1
185.13312	1.7
189.05396	1.5
189.07031	2.4
190.07845	2.0
191.08560	3.7
192.09328	2.5
193.08376	2.2
193.10146	45.8
194.10628	1.7
195.08066	38.4
195.11752	6.9
196.08759	2.5
197.09630	20.8
197.13298	5.5
199.14844	2.0
200.11990	3.4
200.15701	1.4
202.07713	3.7
203.08617	6.2
205.06476	4.1
205.10048	2.0
206.07262	29.5
207.08057	8.0
208.08830	6.1
209.09659	9.7
210.06778	1.5
210.10384	17.2
211.07596	1.9
211.11253	11.8
211.14873	1.7
212.11787	1.3
215.07031	1.6
215.10712	1.4
219.08064	3.4
220.08842	1.8
221.09631	98.6
222.10349	8.5
223.11223	8.2
225.09123	15.7
225.12665	3.2
225.16248	1.3
227.08557	2.1
228.09407	1.2
231.08046	1.3
234.06721	8.9
239.10768	13.6
239.14307	3.4
239.17957	2.1
240.11456	53.0
241.10112	2.0
241.12245	2.6
242.05702	3.7
242.10889	5.1
243.10149	2.5
249.09125	100.0
250.09383	3.1
250.11884	1.3
252.07466	2.0
253.10071	1.5
255.07979	8.9
255.11664	2.2
257.09558	1.5
257.13202	3.7
267.10150	52.0
267.17706	1.6
269.09546	4.8
270.05466	1.2
270.10431	13.3
270.13593	1.7
284.29376	3.2
285.07843	4.7
285.10950	56.6
285.18423	6.7
285.24326	11.7
285.29633	5.7
286.07117	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	285.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78280	0.1
57.58898	0.1
58.72352	0.1
60.01429	0.1
62.27788	0.1
62.46367	0.1
67.01833	0.5
67.05466	0.4
68.99783	0.3
69.07052	0.2
69.48854	0.8
74.25263	0.1
79.05463	0.3
81.03391	0.1
81.07021	0.5
83.04920	0.1
85.02885	0.1
91.05460	0.4
93.07035	0.2
95.04939	0.2
95.08584	0.3
103.05407	0.2
105.07000	0.4
107.08574	0.1
109.06477	0.2
109.10162	0.1
111.53347	0.1
118.04127	0.1
119.08545	0.3
121.10109	0.1
131.08548	0.1
133.06488	2.2
133.10124	0.2
135.04448	0.6
135.11711	0.1
145.10123	0.2
145.14024	0.1
147.11642	0.2
148.73274	0.1
152.97260	0.1
153.00592	0.2
153.01820	3.5
157.10114	0.1
159.04475	0.9
165.01880	0.2
165.05597	0.2
171.02892	0.6
177.05380	0.2
189.05353	0.1
193.06564	0.1
193.12230	0.2
211.07475	0.1
213.05247	0.1
216.65942	0.1
217.08670	0.2
236.97246	0.1
239.07018	0.3
241.04932	0.2
242.05725	37.1
243.06207	1.0
253.08568	0.4
270.05228	16.1
271.05518	0.4
281.62128	0.1
285.07556	100.0
286.07901	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0754
Annotation	Acacetin
Peak:m/z	Relative Intensity
53.03927	0.1
55.05486	0.4
57.03408	0.3
67.01855	0.8
67.05479	0.6
68.99782	0.7
69.03397	0.2
69.07033	0.4
69.35674	0.6
69.36102	0.6
79.05474	0.9
81.03414	1.2
81.07061	0.9
83.04942	0.3
83.08609	0.4
84.04459	0.2
85.02872	0.6
91.05472	0.7
93.07043	0.7
95.04938	0.6
95.08585	0.5
97.02818	0.1
103.05441	0.3
105.07016	1.1
107.04909	0.2
107.08567	0.6
109.06484	0.2
109.10110	0.2
111.00842	0.2
111.08096	0.2
115.05401	0.1
117.06973	0.2
119.04916	0.2
119.08575	0.8
121.06478	0.2
121.10123	0.5
123.04362	0.1
123.08042	0.2
123.11746	0.2
129.06990	0.3
131.08557	0.5
132.35257	0.1
133.06497	2.2
133.10115	0.5
135.04413	0.9
135.08051	0.2
143.08546	0.3
145.06468	0.5
145.10132	0.4
146.03673	0.1
147.04414	0.1
147.11652	0.3
149.09596	0.3
153.01822	3.8
155.08528	0.3
157.10043	0.8
159.04405	1.2
159.11722	0.4
161.05959	0.6
165.01837	0.4
165.05515	0.2
165.06989	0.8
169.10086	0.2
171.02881	1.2
171.04164	0.2
171.11674	0.3
173.13242	0.2
175.11205	0.4
177.05435	0.3
181.06459	0.2
182.07251	0.4
183.02849	0.6
183.08006	0.3
183.11638	0.2
185.13205	0.2
187.14725	0.2
188.97940	0.1
189.05530	0.2
193.06467	0.8
193.12236	1.1
197.09529	0.2
197.13188	0.3
199.14809	0.6
201.16360	0.2
203.03387	0.1
210.06754	0.5
211.07527	0.5
211.13176	0.5
211.14906	0.2
217.08621	0.2
221.05978	0.8
225.09087	1.3
238.06209	0.2
239.07025	0.6
242.05728	32.1
243.06204	1.0
253.08583	2.9
257.04367	0.2
257.08121	0.1
267.21021	0.3
270.05228	14.6
271.05533	0.4
285.07565	100.0
285.21808	1.5
286.07864	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	285.0748
Annotation	Acacetin
Peak:m/z	Relative Intensity
67.01864	0.6
68.99786	0.5
70.69234	0.3
79.05467	0.2
83.29076	0.1
95.08685	0.2
109.06465	0.2
118.04115	0.2
129.01819	0.2
133.06485	2.1
135.04417	0.9
145.10149	0.2
153.01816	4.1
159.04407	0.9
161.05917	0.1
163.26201	0.1
171.02919	0.8
171.04181	0.2
173.02400	0.1
199.14772	0.1
217.08574	0.1
225.09079	0.2
237.53004	0.1
239.07051	0.4
241.05000	0.3
242.05730	36.4
243.06111	1.2
245.99591	0.1
247.72754	0.1
253.08545	0.2
257.08072	0.2
270.05225	16.3
271.05554	0.5
285.07556	100.0
286.07919	3.4
286.10687	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	284.1644
Annotation	Coccuvinine
Peak:m/z	Relative Intensity
51.64857	0.4
55.05504	5.9
56.96557	0.6
57.03422	1.2
57.07058	0.7
59.04988	1.0
60.15709	0.4
61.61897	0.4
61.86232	0.5
63.00019	0.5
65.03923	1.1
67.05495	5.8
69.03418	1.6
69.07057	1.6
70.06563	0.7
72.10345	0.4
73.13277	0.4
79.05489	1.5
81.03406	1.3
81.07054	2.8
82.07393	0.6
83.04976	3.9
83.08617	0.6
85.02895	0.8
85.06514	3.1
91.05465	1.7
92.87602	0.4
93.07028	1.6
94.07413	0.5
95.04977	1.1
95.08592	1.7
97.06526	1.1
98.97572	0.4
99.04420	0.6
105.07017	1.2
107.04938	0.5
107.08582	0.9
109.06522	0.5
109.10152	0.6
110.73837	0.5
115.05429	2.0
118.06517	1.3
119.08556	0.8
120.04465	0.6
121.02908	0.7
121.10125	1.1
122.03140	0.5
128.06235	0.8
129.06967	0.8
130.06519	17.4
132.08105	0.9
134.05957	0.6
135.11627	0.6
136.12000	0.7
142.06511	38.0
142.07532	1.3
143.07309	13.4
143.08388	0.5
144.08081	5.9
146.05998	1.7
153.07018	0.5
154.06502	4.1
155.07248	1.3
155.08467	0.6
156.04463	0.7
156.08087	10.7
157.05254	4.8
157.08826	1.7
157.10091	0.9
158.06007	3.1
158.09656	2.3
160.07562	16.6
160.11148	0.9
164.11458	0.7
165.01817	0.7
165.06963	0.9
167.07317	5.1
167.08598	0.8
168.08087	8.3
169.08859	7.7
169.10150	0.8
170.06006	15.1
170.07451	0.8
170.09604	5.4
171.06711	1.1
171.10429	0.8
172.07544	4.1
172.11186	2.3
176.35678	0.4
180.08075	4.0
181.08850	65.3
182.06059	0.6
182.09645	14.0
183.02919	0.6
183.06638	0.5
183.09114	1.0
183.10458	5.4
184.07629	1.9
184.11198	32.2
185.11842	1.0
186.09122	1.6
186.12720	0.8
188.07014	1.9
189.05531	0.6
193.08717	0.6
193.12149	0.7
194.09630	14.1
195.10403	7.1
196.11201	39.0
197.08308	1.3
197.11745	1.1
198.09196	1.5
198.12715	2.2
199.06503	0.5
199.09888	0.7
200.10677	3.8
201.11485	3.1
202.12250	7.6
203.12654	0.5
208.07649	0.6
208.11179	2.5
209.08266	2.4
210.09138	1.1
210.12737	1.3
211.09862	1.0
212.10690	55.1
213.11404	2.7
214.12251	90.9
215.12619	2.2
221.11797	0.4
222.12773	1.3
223.13554	1.5
224.10681	11.3
225.09074	1.0
226.12202	2.0
227.12996	4.3
228.10187	0.9
228.13654	2.1
230.11774	1.5
233.11992	1.2
236.14336	1.8
238.15877	7.1
240.13719	0.7
242.11745	81.2
243.12120	2.0
248.14323	2.5
250.12193	0.5
251.13097	2.0
253.08557	1.5
254.15390	4.9
256.16946	31.6
257.17233	1.0
266.15378	25.3
267.15939	0.9
268.13199	0.8
270.05258	0.6
284.09354	3.6
284.16425	100.0
284.29300	3.8
285.07532	5.4
285.10672	1.2
285.17032	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	284.1644
Annotation	Haplacutine A
Peak:m/z	Relative Intensity
55.05502	1.3
57.03439	1.0
59.05003	3.7
65.55857	0.6
67.01850	0.7
67.05492	1.5
69.07037	1.6
70.06586	1.1
70.66093	1.9
75.04476	1.7
75.04847	0.7
77.39946	0.7
79.05499	0.8
79.32650	0.7
81.03412	1.0
83.04974	1.6
85.06512	0.7
90.97813	0.6
91.05466	0.8
95.04945	1.2
95.08595	1.1
97.02848	0.7
105.03372	2.2
105.07021	1.6
107.04939	0.8
120.04462	1.2
127.03932	0.8
130.06500	1.5
131.06911	0.8
133.02853	1.3
140.07005	0.8
148.07590	1.3
152.10991	0.7
153.01823	2.3
158.06058	1.0
159.04373	1.3
161.02336	3.1
165.01825	1.4
165.07036	1.1
167.07158	0.9
168.08107	7.0
169.08940	1.4
180.08092	3.3
181.08856	37.7
182.09605	4.1
183.02977	1.1
183.10431	9.6
184.07578	0.9
184.11264	4.9
189.01834	3.1
194.09648	4.6
195.10417	2.1
196.11214	100.0
197.11638	2.4
198.12756	5.1
202.02444	0.9
208.11232	3.1
209.08344	3.9
209.11971	2.2
210.06754	0.8
210.09108	0.7
210.12738	6.1
212.10632	2.1
214.12401	0.8
215.03384	0.9
217.01341	10.3
218.09630	1.3
220.11224	2.4
221.05898	1.1
222.12778	1.9
223.13524	3.6
223.26205	0.8
224.08524	1.1
224.10707	21.8
224.14206	1.5
225.09099	1.8
226.12216	3.0
228.10223	0.9
232.11200	1.2
233.11998	2.8
235.13521	1.7
236.10738	0.7
236.14308	4.1
238.15897	12.2
240.13795	2.0
242.05716	9.6
243.06642	0.8
248.14374	7.5
251.13072	2.5
253.08589	2.8
254.15479	1.9
266.15381	48.8
267.15689	1.5
270.05246	4.6
284.06015	1.1
284.10037	1.4
284.13449	0.8
284.16461	30.7
284.29404	2.4
285.07596	34.4
285.11053	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	284.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.3
57.03435	0.9
67.05493	1.0
67.25986	0.8
71.52437	1.0
75.04474	0.9
82.45244	0.9
83.05013	1.3
87.77232	0.8
87.77816	0.9
102.40257	1.0
104.50156	0.8
130.06529	4.0
139.76631	0.8
146.05998	9.3
156.08090	0.9
167.07336	4.0
168.08086	15.8
169.08897	2.2
175.03925	2.4
176.04239	1.0
180.08052	9.5
181.08873	100.0
182.09673	5.1
183.10478	3.8
184.11238	3.3
194.09645	6.5
195.10420	2.6
196.11226	64.0
197.11694	1.2
206.09740	1.2
208.11182	4.3
209.08377	2.3
209.11861	1.4
210.12805	3.2
212.10706	1.4
218.09721	3.0
219.10451	1.9
220.11206	2.7
222.12898	2.0
223.13562	1.0
224.10719	18.5
226.12260	2.7
232.11115	1.1
233.12021	3.3
235.13582	0.9
236.14438	3.9
238.15916	14.5
240.13882	1.4
242.05745	1.1
248.14389	5.9
251.12996	1.9
266.15421	31.8
284.13678	1.6
284.16483	6.8
284.29526	3.3
285.07513	1.9
294.84030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.5
57.03436	1.1
58.12171	0.7
67.05490	1.9
67.91006	0.8
69.03429	1.0
69.07058	1.2
70.66198	0.8
70.66561	2.5
75.04424	0.8
79.05441	0.9
81.03416	2.0
81.07051	1.4
83.04984	2.5
91.05481	1.3
93.07024	1.2
95.05020	0.9
105.07011	1.0
105.27986	0.7
107.04939	0.9
110.00372	0.7
115.05482	0.8
130.06523	5.8
142.06502	1.1
144.08072	1.0
145.84879	0.8
146.06007	2.0
146.91351	0.8
147.11847	0.7
154.06516	1.7
155.07295	1.3
167.07326	4.9
168.08104	23.1
169.08835	2.9
170.05994	1.0
170.09595	1.2
175.03963	1.1
177.87639	0.7
180.08044	8.5
181.08856	100.0
182.09648	7.6
183.10439	3.9
184.07616	1.7
184.11186	4.7
193.08801	0.9
194.09657	8.6
195.10428	3.1
196.11212	73.7
197.11639	1.4
206.09613	1.3
208.11194	4.6
209.08356	4.7
209.12062	1.4
210.09357	0.8
210.12759	2.0
212.10724	1.3
218.09663	1.8
220.11229	1.7
222.12711	1.1
223.13554	1.5
224.10693	26.5
224.14130	1.1
232.11249	1.3
233.11990	2.8
236.10716	1.8
236.14409	4.7
238.15891	21.1
239.16167	0.9
242.05698	1.1
248.14368	6.3
251.13039	2.2
254.80441	0.9
266.15393	48.3
267.16016	0.9
284.09320	1.0
284.13187	0.9
284.16403	3.4
284.29504	3.4
285.07538	2.9
285.16736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1644
Annotation	Haplacutine A
Peak:m/z	Relative Intensity
55.05499	1.8
57.03423	0.8
67.05500	2.1
69.03432	1.0
71.17902	1.1
81.07052	0.8
83.04963	2.4
85.02872	0.7
93.07034	1.5
105.07009	0.9
105.14016	0.7
119.08571	0.9
121.10143	1.0
130.06537	5.4
142.06540	1.1
144.08032	1.6
146.05974	1.3
146.40860	0.7
154.06535	1.5
155.07330	1.1
164.86089	0.7
167.07365	3.0
168.08093	25.1
169.08839	1.4
180.08052	7.9
181.08862	100.0
182.09645	8.7
182.57512	0.7
183.10483	4.6
184.07550	1.5
184.11224	5.0
193.12296	0.8
194.09666	7.9
195.10413	3.7
195.45851	0.7
196.11217	71.8
197.11752	1.5
206.09680	1.3
208.11209	4.3
209.08351	3.6
209.11996	1.3
210.12791	3.0
212.10631	2.1
214.12367	1.2
218.09563	1.9
219.10457	1.0
220.11185	1.5
221.11769	0.8
222.12758	1.8
223.13583	1.1
224.10703	27.8
225.11124	0.9
232.11328	1.1
233.11972	3.3
234.12778	1.0
235.13406	1.0
236.10733	1.6
236.14359	5.7
238.15913	21.2
242.05614	1.0
248.14301	5.2
251.12991	2.9
266.15399	50.3
267.15820	1.3
284.09341	0.9
284.16418	6.2
284.29449	3.8
285.07489	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
53.14156	0.4
55.01867	0.7
55.05503	0.5
56.05018	0.5
56.96563	4.9
57.03429	1.4
58.06586	0.5
61.02918	0.9
69.03436	2.2
70.06593	14.4
71.04968	0.9
71.50417	0.6
71.50805	0.4
72.08149	1.3
72.96004	0.4
73.02897	1.4
74.06041	0.6
81.03419	0.7
81.07023	0.5
84.08154	2.2
84.96023	0.7
85.02903	3.3
86.09714	0.6
87.04432	0.4
95.06080	0.5
97.01550	0.4
97.02886	1.5
97.18331	0.4
97.99172	0.4
98.06075	0.4
98.97590	4.6
99.04456	0.8
102.05523	0.7
102.96884	1.5
109.02862	1.2
109.05114	0.6
109.56277	0.4
110.03560	2.0
110.07165	1.6
110.97556	1.1
112.07602	0.9
112.08772	0.5
116.07092	2.1
116.98646	2.5
119.01923	0.9
120.97916	0.5
122.16557	0.4
127.03902	0.8
128.04572	1.2
128.98605	1.2
131.00148	0.5
134.99669	1.1
135.02994	3.9
136.07576	0.9
137.07912	0.8
141.10245	4.2
141.13835	0.5
143.01970	0.5
144.10150	0.7
145.05074	0.4
146.99564	0.8
147.04376	0.7
148.07608	1.4
150.07780	1.4
152.05676	100.0
153.04077	7.7
153.06004	1.2
156.05096	0.5
158.99626	0.8
160.01384	0.5
161.01289	0.5
161.02867	0.5
162.99104	0.5
169.09729	3.5
172.02826	0.6
173.02962	0.6
175.04428	0.4
177.00748	1.3
180.99950	0.9
186.04366	0.7
189.00714	0.6
202.09286	2.2
203.07652	0.4
204.05423	1.0
208.04929	0.7
213.12314	2.3
214.09270	0.5
219.01726	1.0
220.09900	0.4
231.02032	0.6
237.02754	1.1
243.07281	1.3
256.06750	1.5
260.08127	0.4
261.03110	1.4
261.08371	1.2
262.05875	0.5
263.30051	0.4
270.04648	0.4
284.11002	0.5
284.15094	0.6
302.10934	1.0
303.12180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03934	6.5
55.01863	9.8
55.05510	25.1
57.03446	17.3
57.07057	5.9
65.27474	3.5
67.05186	3.4
67.05509	56.1
69.07071	30.7
71.04972	5.4
71.08616	5.9
78.31446	3.1
79.05061	4.6
79.05494	54.4
81.03394	10.1
81.07059	31.4
83.04995	18.8
83.08613	18.0
85.06525	5.4
85.10178	3.9
89.06003	11.8
91.05080	2.5
91.05486	26.8
93.07046	54.4
95.04963	15.7
95.08605	36.5
97.02882	13.4
97.06525	24.8
97.10143	6.0
98.21523	6.9
99.04451	8.4
99.08159	3.3
105.03379	4.8
105.07008	13.9
107.04956	24.8
107.08599	33.8
109.06551	4.3
109.10141	16.9
111.04446	19.6
111.08086	6.5
113.06007	7.1
113.09607	6.9
117.07025	16.9
119.08609	16.4
120.04603	2.7
121.02838	2.9
121.06485	7.7
121.10169	21.4
125.05991	5.9
131.08556	12.1
133.08559	7.8
133.10109	9.8
135.08055	6.8
135.11697	46.8
137.09550	4.5
139.11154	2.8
145.06506	4.6
145.10139	32.5
147.08000	7.3
149.09616	11.0
155.08501	6.8
163.11172	48.1
165.98698	3.3
173.09612	12.0
181.12207	13.7
191.10672	21.4
205.49229	3.0
209.11705	11.8
227.12796	39.6
255.15933	54.6
266.85193	3.2
283.15378	100.0
283.20447	8.0
283.23779	4.4
284.15674	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	284.099
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.18394	0.1
53.01428	0.1
53.93052	0.1
54.82177	0.1
55.01870	0.3
55.02999	0.2
56.96566	1.4
57.03428	0.6
59.67805	0.1
67.50909	0.1
69.03426	0.5
69.83096	0.7
70.06590	1.2
71.01337	0.2
72.08140	0.4
73.02914	0.1
80.46686	0.1
84.08147	0.5
85.02905	0.5
91.05531	0.1
97.02878	0.3
98.97567	1.3
105.03352	0.2
109.05118	0.6
109.29127	0.2
110.03526	2.8
110.07158	0.6
110.97572	0.2
116.98611	0.8
119.01894	0.2
119.04942	0.1
128.04550	1.5
134.04636	0.4
134.99675	0.5
135.03026	5.9
141.10281	0.1
148.07538	0.2
150.07727	0.4
152.05675	100.0
153.04077	9.4
153.05945	0.8
154.02507	0.1
172.94475	0.1
177.00845	0.3
190.95409	0.2
195.07350	0.2
213.12462	0.1
219.01938	0.3
224.08032	0.2
260.99512	0.2
261.03146	0.6
279.00659	0.5
284.10040	0.2
284.16635	0.2
284.57874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
54.69981	0.6
55.01867	5.8
55.05267	0.9
55.05509	12.2
57.03160	0.7
57.03433	11.8
57.07058	1.6
59.05003	0.5
65.03930	0.9
67.05505	17.7
69.03435	2.8
69.07066	7.9
70.06561	1.1
70.57489	1.9
71.04996	3.5
73.02906	1.5
79.05493	28.5
81.03417	6.1
81.07053	22.1
83.04980	4.8
83.08615	7.8
85.02878	1.4
85.06549	1.2
90.58342	0.5
91.05476	11.4
93.07042	40.3
95.04968	8.1
95.08607	40.2
97.02901	4.4
97.06529	4.9
97.10165	1.0
99.04443	4.2
103.05501	1.2
105.03381	1.1
105.04507	0.7
105.07031	9.5
107.04962	12.9
107.08588	27.9
109.02886	0.7
109.06520	3.5
109.10176	3.3
111.04443	2.7
111.08051	1.9
112.07591	0.7
113.05991	0.8
115.05438	1.0
115.07554	0.7
117.07015	10.7
119.08585	10.0
121.02869	6.5
121.06502	6.3
121.10148	11.8
123.08075	1.0
125.06010	2.9
127.07570	0.7
129.07002	1.0
130.07770	2.0
131.04955	1.3
131.08525	1.9
133.10130	3.1
135.04430	0.7
135.08107	2.9
135.11688	47.1
136.12009	0.7
137.05980	0.8
139.07549	2.1
143.08611	1.4
145.06509	1.4
145.10120	28.6
147.08011	0.9
153.12775	2.1
155.08517	1.7
157.10132	0.7
161.06020	0.7
163.11172	65.6
164.11536	0.8
165.01862	1.2
167.08592	0.7
173.09631	2.4
175.03835	1.0
181.12239	15.3
185.09601	0.6
191.10672	1.4
209.11726	2.3
227.12778	100.0
228.13123	1.8
255.10086	0.7
283.06027	2.5
283.09760	2.9
283.15375	27.8
283.20557	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01860	6.0
55.05510	17.3
57.03443	13.0
57.07069	2.7
67.05507	22.1
69.03413	2.1
69.07068	13.7
71.53153	3.1
72.28490	1.9
78.14286	1.5
79.05495	33.8
81.03407	3.0
81.07062	22.6
83.04993	8.4
83.08603	11.1
85.02862	1.8
85.06525	2.4
89.06036	5.8
91.05482	14.2
93.07047	43.3
95.04970	9.6
95.08604	42.4
97.02894	5.8
97.06506	5.4
99.04447	6.3
105.03394	4.6
105.07041	12.1
107.04958	11.4
107.08588	30.5
108.34516	1.7
109.06502	3.2
109.10145	4.5
111.04449	8.0
111.08080	2.0
117.07008	10.7
119.08584	15.0
121.02864	1.6
121.06499	8.8
121.09449	1.9
121.10151	21.0
123.11761	1.8
125.05943	3.4
130.07759	2.8
131.08665	1.9
133.10159	5.6
135.08070	4.5
135.11691	51.7
143.08557	2.7
145.09062	2.6
145.10126	32.0
147.11684	1.8
153.12701	2.6
162.09186	3.1
163.11174	77.9
167.03552	1.6
171.11728	1.7
173.09691	2.8
181.12224	17.3
183.11676	2.7
184.82980	1.6
209.11678	3.0
213.16217	2.1
227.12782	100.0
228.12955	1.8
251.73097	1.8
283.15228	25.5
283.20557	6.7
283.23630	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.5
55.01878	4.8
55.05506	11.7
57.03432	11.5
57.07058	0.9
65.03916	1.6
67.05501	19.9
69.03436	2.8
69.07063	7.5
70.06564	1.0
71.04989	3.2
72.08105	0.7
73.02896	1.4
79.05491	28.9
80.05817	1.0
81.03420	3.9
81.07055	22.2
83.04987	4.3
83.08617	7.9
85.02872	1.4
85.06501	0.8
91.04985	0.9
91.05476	10.1
93.07040	41.2
94.07346	0.7
95.04967	8.8
95.08603	40.1
97.02875	4.9
97.06521	4.1
97.10134	1.2
99.04456	4.2
103.05446	6.0
104.05773	2.6
105.03338	1.6
105.07028	9.4
107.04216	0.7
107.04951	13.8
107.08592	28.0
108.05249	1.1
109.02854	1.0
109.06501	2.9
109.10170	3.1
111.04385	1.7
111.08053	1.5
113.05981	1.0
115.05357	0.8
117.07009	9.9
119.08586	11.0
121.02038	0.7
121.02875	12.2
121.06497	6.9
121.09341	1.0
121.10140	12.1
125.05944	3.0
127.07526	0.7
127.80051	0.6
128.18610	0.5
129.06966	0.8
130.07735	1.8
131.04900	1.8
131.08545	1.6
133.10110	3.3
134.09648	3.2
135.08008	2.5
135.09984	2.5
135.11684	46.5
136.11989	1.1
139.03845	1.9
139.07521	2.0
143.08585	1.3
145.06442	1.2
145.10120	27.3
153.12743	0.8
155.08482	1.1
157.10095	0.8
158.07181	0.6
163.11174	70.2
164.11502	1.0
165.01810	0.8
169.08868	0.7
173.09622	1.5
175.03873	0.8
181.05083	0.7
181.12231	17.9
183.11658	0.6
209.11736	2.0
211.91103	0.7
227.12773	100.0
228.13139	2.1
267.02530	0.6
268.07437	0.6
283.05975	4.4
283.09497	1.7
283.15356	36.5
283.20438	1.5
284.16278	0.7
285.49216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.4
51.02368	0.7
53.03946	3.2
53.08028	0.2
55.01879	0.5
55.05504	1.1
57.03410	0.6
58.06599	5.1
59.39703	0.2
67.05503	1.3
67.86481	0.3
69.07063	0.8
70.66473	0.4
70.66785	0.4
77.03915	1.6
79.05507	1.5
79.98785	0.3
81.03408	0.9
81.07065	1.6
83.08615	0.5
89.06052	0.4
91.05485	1.5
92.05829	0.3
93.07053	1.3
95.04382	0.4
95.04971	6.1
95.08599	1.0
104.05030	0.4
105.03393	100.0
105.07024	1.0
106.03727	1.2
107.04965	0.5
107.08582	0.8
109.02834	0.3
109.06532	0.5
109.10135	0.8
111.04485	0.3
113.05823	0.3
117.06987	0.6
118.06535	1.1
119.08560	0.5
121.02890	2.5
121.06503	0.3
121.10158	0.8
123.11670	0.3
128.06255	0.3
129.06976	0.4
131.08557	0.3
132.08060	0.6
133.10094	0.3
134.06010	2.2
135.11694	0.3
145.10182	0.7
161.09666	0.4
161.10744	21.8
162.09145	48.3
163.09471	0.8
163.11237	0.4
165.01807	0.4
165.07112	0.3
169.06490	0.4
173.09503	0.4
175.03957	0.8
177.06894	0.3
189.05428	0.3
193.68800	0.3
195.08107	0.5
197.13316	0.4
223.07616	0.5
240.07831	0.3
254.09680	0.3
283.06097	1.0
283.09671	1.7
283.14438	11.0
283.20630	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51452	0.3
51.02374	0.3
53.03950	1.5
55.01871	5.2
55.05510	1.0
57.03431	0.4
57.07079	0.7
58.02964	7.7
65.03947	0.4
67.05504	2.0
69.07073	1.1
69.51160	1.6
69.51573	0.7
70.06580	0.4
71.04998	0.3
74.93687	0.2
77.03948	0.8
79.05499	2.4
81.03434	0.5
81.07063	2.0
83.04990	0.5
83.08620	0.8
84.08141	0.3
84.38789	0.3
88.16714	0.3
89.06033	0.7
91.05483	2.2
92.05788	0.3
93.05782	0.3
93.07055	1.6
95.04982	2.7
95.08607	2.3
97.06524	0.5
97.10154	0.3
103.05452	1.4
105.03394	66.5
105.07031	1.2
106.03728	0.9
106.06555	9.9
107.04971	0.5
107.08601	1.1
109.10177	0.9
111.04447	0.4
111.08109	0.5
117.07047	0.7
118.06544	3.2
119.08572	1.1
120.04465	0.8
120.08098	4.0
121.02870	1.8
121.06492	0.7
121.10146	0.8
130.06529	58.5
131.04924	0.3
131.06888	1.1
131.08563	0.9
133.10109	0.6
135.08134	0.3
135.11719	1.1
136.07581	50.6
137.07927	0.9
137.09639	0.4
145.10153	1.3
147.11716	0.4
148.07574	100.0
149.07924	1.9
149.09633	0.4
153.12711	0.3
157.10143	0.5
160.81154	0.3
163.11205	1.3
165.01877	0.5
175.03900	1.7
177.08826	1.0
181.10307	0.4
181.12199	0.6
190.08640	9.9
191.10631	0.3
195.08076	0.4
196.11252	0.5
211.14877	0.3
224.10696	0.4
227.07118	0.4
227.12769	0.8
229.15952	0.4
240.10167	0.7
241.08669	0.3
247.16965	0.5
252.20959	0.3
255.10425	0.3
265.22162	0.3
265.25064	0.3
283.05997	0.8
283.09708	1.7
283.13766	1.2
283.20657	1.5
284.16351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03946	1.3
53.18596	0.3
53.87529	0.2
55.01870	6.0
55.05517	1.7
57.03424	1.2
57.07069	1.0
58.02960	7.6
67.05504	2.8
69.03420	0.6
69.07078	1.4
70.06590	0.4
71.05000	0.7
71.08627	0.5
71.52255	0.3
77.03926	0.7
79.05493	2.5
80.05833	0.4
81.03420	1.2
81.07049	2.0
83.04980	1.5
83.08624	0.8
85.06541	0.6
86.09729	0.4
89.06022	1.1
91.05479	2.3
93.07056	3.1
94.06580	0.4
94.07405	0.4
95.04962	3.0
95.08612	2.4
97.02889	0.6
97.06523	0.9
97.10193	0.4
99.04481	0.5
103.05444	1.3
105.03390	71.3
105.07013	1.4
106.03709	0.7
106.06557	9.3
106.07264	0.6
107.04937	0.8
107.08596	1.4
109.10165	0.9
111.04446	0.9
111.08079	0.4
113.06000	0.3
117.06956	0.6
118.06537	3.0
119.08572	1.3
120.04441	0.9
120.08099	4.4
121.02884	1.9
121.10130	1.1
123.08089	0.4
129.06967	0.6
130.06523	63.8
131.06857	1.2
131.08588	0.7
133.10117	0.6
135.08073	0.3
135.11705	1.7
136.07574	52.5
137.07918	0.8
143.08557	0.6
145.10127	1.7
147.04407	0.3
147.11688	0.5
148.07567	100.0
149.07947	1.8
149.09605	0.3
149.13284	0.4
153.12753	0.6
159.11668	0.7
162.09123	0.7
163.03925	1.1
163.11148	1.5
165.01776	0.3
170.15376	0.3
171.11644	0.5
173.09627	0.4
175.03877	0.6
181.06427	0.4
181.10327	0.3
181.12129	0.7
190.08633	9.5
191.08963	0.4
191.10635	0.5
193.04939	0.6
193.62617	0.3
195.11707	0.3
209.11696	0.7
225.05463	0.7
227.10847	0.3
227.12723	1.7
240.10159	0.5
251.06679	0.3
252.09885	0.3
255.15831	0.3
283.06116	2.3
283.09647	1.0
283.15103	2.2
283.20694	1.5
283.23929	0.6
284.09296	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
54.62516	0.3
55.01862	0.5
56.31700	0.3
57.03422	0.3
65.03933	2.4
69.03092	0.3
69.03433	4.8
69.61411	1.8
70.06587	0.3
71.04974	0.6
71.66096	0.3
75.74963	0.3
81.02921	0.6
81.03416	11.6
82.28133	0.3
84.90834	0.3
85.02908	4.6
93.06971	0.3
95.04962	5.5
95.08584	0.3
97.02884	1.4
99.04444	1.2
109.02876	4.5
110.82491	0.3
111.04438	2.7
121.02865	100.0
122.03196	1.0
127.03891	1.6
133.10097	0.3
139.03900	6.7
139.20270	0.3
149.90736	0.3
165.01816	1.6
183.02939	0.8
197.00626	0.3
216.46611	0.3
265.07062	6.2
281.32468	0.3
283.05853	3.6
283.08649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.2
51.11448	0.2
53.00282	0.2
53.03941	1.6
55.01871	0.9
55.05499	0.5
57.03436	1.2
57.55577	0.2
61.02908	0.4
65.03931	2.6
67.05495	0.6
69.03426	5.3
69.07070	0.5
69.30446	0.2
70.06593	1.1
70.68941	0.3
71.01337	0.4
71.04983	0.8
72.08142	0.3
73.02921	0.3
79.01833	0.2
79.05494	0.6
79.35915	0.2
81.03414	10.9
81.07050	1.0
81.28918	0.2
83.04964	0.5
83.08582	0.3
84.04479	0.3
85.02901	4.9
85.06502	0.2
89.05982	0.3
91.05476	0.7
93.03423	0.4
93.07018	1.0
95.04960	5.4
95.08601	0.8
96.05320	0.2
97.02887	2.0
97.06527	0.3
99.04481	1.3
105.03407	0.4
105.07021	0.5
106.21894	0.2
107.04938	0.2
107.08585	0.2
109.02140	0.3
109.02882	4.5
109.06500	0.3
109.10094	0.3
111.04442	2.6
111.08066	0.2
112.07627	0.6
117.07022	0.2
119.08593	0.5
121.02863	100.0
121.03868	3.0
121.10138	0.5
122.03201	1.4
123.04433	0.2
123.08083	0.3
127.03931	1.6
131.08530	0.3
133.10106	0.2
135.11705	0.3
137.09645	0.2
138.03191	0.2
138.09114	0.9
139.03897	7.3
140.07054	0.3
145.10103	0.4
155.07042	0.2
160.12561	0.2
162.09129	0.2
169.10062	0.2
181.10135	0.2
191.10664	0.3
204.25612	0.2
209.11707	0.2
223.07690	0.2
265.07037	5.6
279.76593	0.2
283.08121	0.6
283.16281	0.6
283.19656	0.2
284.09201	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05505	0.4
56.05075	0.4
57.03439	1.6
61.02930	0.4
65.03931	0.7
67.05502	0.7
67.07037	0.3
69.03435	0.8
69.07063	3.9
70.06609	2.2
71.04978	0.5
71.52598	0.3
72.08157	1.1
74.06089	0.5
79.05500	0.5
81.03405	1.4
81.07061	0.6
84.04484	0.7
84.08146	2.4
85.02909	1.5
86.09699	1.2
87.05594	0.3
88.03993	0.6
91.05444	0.4
94.04050	1.2
94.06549	0.6
95.04967	1.0
95.08560	0.3
97.02899	0.7
97.06538	1.7
98.97552	0.5
99.04426	0.5
105.03371	1.6
109.02853	0.5
110.07137	0.6
110.59008	0.3
111.04446	0.4
119.03539	1.6
120.04440	0.5
120.08116	1.5
121.02870	13.2
121.08434	1.0
129.09148	0.8
129.10185	0.8
130.06511	0.6
134.09651	0.6
136.06187	100.0
137.04601	1.9
137.06586	1.7
139.03923	0.9
146.06026	0.6
148.07570	1.1
149.04202	0.4
150.07753	26.3
162.04170	0.5
162.05565	0.4
163.04469	0.5
177.05554	0.4
182.08057	0.5
195.11249	0.4
204.06522	0.4
225.69034	0.4
247.07466	0.3
250.13008	23.1
265.07062	0.3
267.99857	0.6
282.12088	3.0
282.15601	48.2
282.22101	1.0
283.12827	0.5
283.15891	1.3
284.03198	0.5
300.06165	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85843	0.3
53.03935	0.6
53.13600	0.3
55.01869	0.7
55.05513	1.9
56.05021	0.8
57.07051	0.4
58.99588	4.4
61.00468	0.3
61.94495	0.3
65.03929	0.4
66.41804	0.3
67.05505	3.6
69.03400	0.4
69.07076	2.0
69.07379	0.3
70.06591	3.8
71.05190	0.5
72.08155	0.5
73.01143	0.3
78.29543	0.3
79.05488	3.6
80.05009	2.5
80.18304	0.4
81.03400	0.4
81.07055	4.5
82.06580	0.8
83.04965	0.4
83.08620	0.8
85.01114	1.1
86.00629	1.6
86.99054	4.3
87.02692	1.8
88.02235	1.8
89.05006	0.4
91.05490	1.9
93.05789	2.1
93.07040	2.0
94.06562	1.6
95.08616	4.1
96.08115	0.6
98.00637	0.4
101.04234	1.4
105.00098	2.0
105.03333	0.5
105.07024	3.2
106.06541	1.3
107.04919	0.3
107.07383	0.5
107.08599	2.5
108.08118	26.2
109.02885	0.8
109.10140	2.0
110.09689	2.0
111.01387	0.5
112.02174	3.5
113.04214	0.6
116.82814	0.3
117.07028	0.5
119.08611	2.2
120.04480	0.4
120.08112	2.5
121.02848	3.0
121.08889	1.3
121.10181	0.6
122.09666	3.7
124.11208	1.4
125.04208	0.4
125.44934	0.4
131.08545	0.5
132.01131	2.0
132.08110	1.2
133.09029	0.3
133.10077	1.8
133.82112	0.4
134.09612	2.0
135.10417	0.4
135.11655	0.4
136.11223	2.0
137.04155	0.6
138.03728	0.9
139.03920	0.4
139.05785	0.5
140.05293	2.1
142.08954	0.3
145.02980	0.4
146.02756	0.5
148.11162	1.9
149.13217	0.4
150.12801	1.1
151.05757	0.7
151.14825	1.2
158.02744	0.5
159.04710	0.7
161.13243	1.4
164.07005	0.4
166.06866	4.5
166.08244	0.5
166.08685	0.3
166.71057	0.4
167.08864	1.0
168.08372	1.0
173.06349	1.2
174.12798	0.4
176.14308	3.3
177.15085	0.9
178.15904	4.1
180.08447	2.2
180.10062	0.6
181.09102	1.2
182.02682	1.4
183.03447	1.5
184.04317	0.5
193.10439	1.0
195.08238	0.4
195.12021	1.0
197.21870	0.4
210.05823	1.6
210.13107	1.7
212.07404	33.3
213.08025	1.1
226.09065	0.5
236.14737	2.1
254.15794	0.4
282.15219	100.0
283.05875	0.8
283.15533	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	282.1488
Annotation	Bharatamine
Peak:m/z	Relative Intensity
50.03871	0.5
56.24787	0.5
68.91810	0.4
70.85671	1.4
97.25704	0.4
140.55547	0.4
167.07291	0.5
181.08960	0.5
196.07591	7.0
196.11232	2.8
209.08313	2.2
210.09154	30.3
211.09932	44.1
212.10338	1.5
224.10712	53.3
225.11057	2.1
238.12198	3.3
239.13055	67.9
240.13399	2.2
252.10197	2.8
264.13925	1.3
267.05331	0.6
267.12579	7.1
282.08121	4.6
282.14893	100.0
283.08023	0.6
283.15240	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	282.152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.4
55.19530	0.9
58.99296	1.6
58.99589	26.6
61.16675	0.7
65.03934	1.1
67.05507	18.0
68.05006	1.4
69.03436	1.2
69.07066	6.6
69.22688	0.9
69.49584	6.5
70.06597	6.6
71.08636	1.9
73.01141	1.3
74.57438	0.9
79.05486	4.6
80.05009	2.4
81.03425	1.0
81.07051	6.7
82.06551	1.5
83.05025	1.0
83.08612	1.1
85.02849	1.0
86.00637	2.6
86.99059	17.0
87.02670	1.2
88.02235	2.4
88.76927	1.1
91.05482	3.6
93.05774	1.2
93.07039	4.7
94.06583	1.9
95.04987	2.4
95.08614	13.7
98.20788	1.9
101.04245	11.2
103.90639	0.9
105.00096	25.8
105.03390	5.3
105.07021	4.1
106.03713	2.0
107.04955	0.9
107.08600	3.2
108.08121	26.0
109.06516	1.1
109.10176	7.2
110.08926	1.1
110.09686	20.8
112.02168	1.7
113.04227	1.3
119.08582	3.1
120.04439	1.7
120.08100	1.6
121.02850	4.5
121.10173	1.5
122.09659	4.6
131.08621	1.0
132.01147	12.0
132.08073	1.0
133.10130	3.2
134.02643	1.0
134.09665	2.2
135.11713	1.3
136.11229	6.2
140.05333	1.4
147.11693	1.2
148.11220	1.1
150.12816	1.7
151.14838	12.6
160.09512	1.1
161.13287	2.1
166.06897	2.7
173.06328	18.5
175.07899	5.0
176.14359	3.0
178.16006	2.1
180.08444	1.6
180.10037	1.2
181.09171	1.3
182.15398	1.0
192.51685	0.8
207.06451	1.2
210.13133	2.0
212.07425	20.9
215.04407	0.9
224.11630	0.9
224.16441	0.9
226.08911	5.4
282.15231	100.0
283.15491	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	282.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48703	0.9
56.69478	0.9
56.96561	14.9
70.26095	2.3
70.26486	2.3
71.95268	1.6
98.97580	100.0
116.98618	66.3
119.01925	2.0
134.99649	27.3
140.00186	2.5
143.00165	1.7
153.00705	2.8
153.55168	1.1
158.01228	1.5
161.01271	1.4
177.00800	1.3
216.98813	1.2
219.01967	2.7
220.02159	1.2
224.00075	1.1
236.98566	1.7
240.98734	4.3
258.99747	43.3
259.99976	1.9
277.00797	96.1
278.00854	2.8
300.02164	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	282.1197
Annotation	N6-Methyladenosine
Peak:m/z	Relative Intensity
53.55129	0.1
55.01864	0.3
56.05032	0.2
56.96567	2.1
57.03447	0.6
60.04506	0.2
61.02924	0.3
61.03953	0.1
69.03425	0.6
69.72018	0.8
70.06595	0.6
71.01337	0.1
71.04984	0.1
71.95271	0.1
72.08145	0.3
72.56905	0.1
73.02916	0.3
74.06079	0.2
77.42407	0.1
81.03421	0.2
81.04554	0.2
83.82461	0.1
84.08144	0.6
84.96011	0.1
85.02895	0.7
86.06049	0.2
86.09673	0.3
87.04482	0.2
91.05441	0.1
97.02892	0.5
98.97585	5.1
99.97955	0.1
102.03770	0.3
102.96848	0.2
104.03571	0.1
108.05596	0.1
109.02928	0.2
109.05134	0.6
110.07167	0.3
110.97546	0.3
112.05074	0.4
112.99155	0.2
113.03496	0.4
116.98616	3.6
119.03574	0.2
120.10204	0.4
127.03950	0.2
128.98601	0.3
130.93272	0.2
131.00185	0.3
133.05045	0.9
134.99663	1.9
136.07539	0.2
146.99637	0.2
147.03259	0.1
150.07744	100.0
151.08211	0.7
153.00732	0.3
158.01247	0.2
161.04614	0.3
164.07098	0.2
169.04407	0.6
170.05191	0.5
170.99521	0.1
172.04933	0.2
172.94405	0.2
177.00652	0.3
178.04956	0.2
180.99968	0.2
187.00375	0.2
190.95401	0.2
192.08818	0.3
193.03925	0.1
201.11292	0.1
202.03915	0.1
237.03000	0.2
258.05191	0.4
258.99719	1.3
276.06165	0.2
277.00815	3.7
277.03827	0.3
278.01163	0.2
281.59708	0.1
282.05386	0.2
282.08875	0.3
282.11966	5.2
282.96277	0.2
300.02472	0.1
300.06027	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03945	7.7
55.01874	6.1
55.05511	36.2
57.03438	33.6
57.07055	4.5
65.03920	3.7
67.05505	86.2
69.03416	2.8
69.07066	19.1
71.04968	4.6
71.52062	1.0
71.52527	1.4
72.08160	1.1
73.06544	1.5
75.20360	1.1
79.05493	100.0
80.05805	1.1
81.03423	12.8
81.07056	67.9
83.04982	36.4
83.08622	14.1
85.02911	1.9
85.06549	5.0
87.04453	1.1
91.05479	68.9
93.07043	76.1
94.07350	1.5
95.04381	1.9
95.04967	29.6
95.08608	46.6
95.10246	1.0
97.02876	1.3
97.06508	7.8
97.10172	6.9
99.04458	1.4
99.08080	1.9
103.05450	1.8
105.03401	7.7
105.04507	2.3
105.07034	53.1
107.04961	6.8
107.08595	22.4
109.06511	11.7
109.10157	12.0
111.08056	2.9
113.06007	1.7
115.05418	2.5
116.71284	1.1
117.07002	9.0
119.04898	1.6
119.08584	33.1
119.09914	1.3
121.02860	1.7
121.06495	5.2
121.10157	6.1
123.04379	1.4
123.08075	11.6
123.11668	3.2
125.09619	1.9
127.07521	2.4
128.06183	3.1
129.07007	20.1
131.08569	3.2
133.06476	1.6
133.10141	17.4
135.08029	2.0
135.11653	4.4
137.09590	2.0
141.09077	2.0
143.08571	10.5
144.08031	1.6
145.10120	14.4
147.04373	1.9
147.08012	3.7
147.10504	2.2
147.11682	40.9
151.88641	1.0
155.08548	1.3
157.10147	1.4
159.09149	1.9
159.11620	1.5
160.07576	5.5
161.05957	1.6
161.09656	5.2
161.13275	17.6
163.03941	1.2
163.11198	2.0
171.11685	35.0
173.09612	1.2
175.03894	3.1
179.14366	2.0
181.04910	3.7
181.10049	1.3
183.11703	1.3
186.64163	0.9
189.05498	1.3
189.12749	13.0
193.10101	1.2
207.13803	10.9
210.09334	1.2
221.13072	1.1
245.15417	1.2
263.12930	1.5
263.16367	3.6
263.19968	1.4
263.23456	1.1
281.11569	3.2
281.17419	43.5
281.22482	3.2
282.14627	2.0
288.38983	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2475
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.05516	66.2
57.07064	37.5
67.05506	75.4
69.07068	93.5
69.29760	94.9
69.82195	9.4
70.17163	8.0
71.08620	28.4
79.05481	24.9
81.07058	96.3
83.08626	73.9
85.10186	10.2
91.05479	25.7
93.07029	34.8
95.08610	93.2
97.06519	13.1
97.10175	57.5
105.07031	30.8
107.08578	32.1
109.10150	45.9
111.08092	11.0
111.11710	29.1
119.08562	29.7
121.10085	11.8
123.11697	12.8
124.96944	10.1
125.13281	14.1
133.10114	34.0
135.11719	13.6
145.10112	13.1
147.11708	17.3
149.13190	11.1
150.07701	17.4
155.08577	23.7
157.10144	12.7
161.13277	20.2
163.14847	11.8
166.81541	9.8
169.10118	19.3
171.11784	14.8
183.11676	17.8
197.13231	28.3
199.14780	9.8
221.22519	13.6
225.16444	15.2
237.53378	9.8
239.17877	10.5
245.22595	35.4
247.24252	11.9
253.19620	13.6
263.23697	35.6
281.15652	10.2
281.18933	42.9
281.22604	100.0
282.27802	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	281.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.3
51.02376	0.6
53.03711	0.3
53.03949	4.1
53.71456	0.2
55.01865	0.6
55.05506	0.9
57.03441	0.6
57.07064	0.3
61.08300	0.2
67.05509	1.3
68.99782	0.2
69.03431	1.1
69.07059	0.6
71.53015	0.3
77.03914	0.9
79.05491	1.4
79.14998	0.2
80.91774	0.2
81.03417	0.9
81.07059	1.5
83.04967	0.5
83.08601	0.4
85.02868	0.2
91.05456	0.9
93.07048	1.2
95.04971	8.3
95.05573	0.5
95.08607	0.9
97.06533	0.3
105.03391	100.0
105.04536	2.8
105.07021	0.9
106.03723	0.9
107.04948	0.7
107.08561	0.5
109.06493	0.4
109.10116	0.4
111.04468	0.4
111.08115	0.2
114.84549	0.2
115.05445	0.6
117.05782	0.5
118.06549	0.8
119.08603	0.6
120.42369	0.3
121.02854	0.2
121.10119	0.2
123.11729	0.2
130.06522	6.0
131.06024	1.5
131.08551	0.2
132.04454	1.7
132.08070	3.4
133.10126	0.5
135.04408	1.4
135.11736	0.2
142.06499	0.8
147.11690	0.8
151.03891	0.2
153.01807	0.9
159.09175	46.1
160.07578	20.8
160.09647	0.5
163.03897	0.7
165.01836	1.3
171.11688	0.6
177.01823	0.3
179.03404	0.3
181.04889	0.4
183.02861	1.1
189.05617	0.2
191.03329	1.3
195.02852	0.5
203.03268	0.4
207.02931	0.5
211.21458	0.2
219.02933	2.7
220.73991	0.2
230.94705	0.2
245.04439	1.4
263.05615	1.8
263.11783	10.8
264.12341	0.2
281.06638	0.7
281.09763	0.3
281.12848	6.3
281.17361	0.3
281.19400	0.4
281.22113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02365	1.7
53.03951	8.6
55.01865	5.2
55.05512	34.5
57.03156	1.7
57.03438	34.6
57.07071	3.0
58.41534	1.2
65.03941	4.1
67.05505	82.6
69.03434	2.9
69.07069	20.0
69.21008	2.8
69.21415	11.2
70.06545	1.2
71.04992	4.8
71.08642	1.4
72.08138	1.1
73.06561	2.9
75.87332	1.0
77.03896	1.8
79.05492	100.0
81.03416	14.0
81.07057	70.7
83.04980	32.1
83.05473	2.1
83.08624	10.3
85.06538	4.0
87.04465	2.4
91.05000	1.5
91.05478	69.4
93.07044	72.2
95.04963	28.7
95.08609	42.0
97.02920	2.2
97.06540	6.5
97.10178	4.5
103.05449	1.9
105.03400	5.8
105.04538	2.0
105.07028	48.7
106.07375	1.2
107.04980	6.2
107.08591	18.6
109.06497	8.2
109.10155	8.9
111.08086	1.8
114.09164	2.2
115.05441	2.4
117.07015	10.0
119.08582	31.1
120.00641	1.2
121.06512	4.6
121.10149	4.4
123.08080	10.1
123.11696	1.5
127.07526	2.3
128.06248	3.7
129.07002	15.5
131.08575	4.6
133.06535	2.5
133.10130	13.2
135.08043	2.7
135.11719	3.7
137.09583	2.4
137.13287	1.4
142.07814	1.9
143.08582	8.4
145.06458	1.8
145.10132	14.2
147.07961	2.9
147.11697	39.5
157.10228	1.2
161.09639	5.3
161.13258	14.8
163.11169	2.5
165.09088	1.6
171.11687	30.4
181.04871	1.6
189.12753	11.3
207.13823	12.7
281.14978	1.5
281.17474	34.0
281.22202	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	280.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01623	0.1
63.64142	0.1
68.90158	0.1
69.07057	0.2
69.52026	0.3
69.52451	0.6
70.06563	0.2
78.03094	0.1
78.03455	1.4
79.04235	0.3
80.05011	0.4
81.07039	0.3
85.02886	0.1
91.05474	0.3
96.04475	0.4
98.21523	0.3
99.52628	0.1
103.05473	0.3
105.03374	0.4
106.02912	7.6
108.04479	1.3
109.63568	0.1
110.99720	0.1
111.03209	0.3
115.05473	0.7
117.05767	0.2
117.07018	4.7
118.06597	0.2
128.04968	0.2
128.06187	0.2
132.08060	0.2
134.50285	0.1
137.07108	2.8
143.06232	0.2
143.07306	2.6
144.08078	100.0
144.77724	0.1
145.06532	0.8
145.08379	1.3
149.02312	0.4
149.07057	0.3
150.02612	0.3
155.06030	0.7
160.07587	0.2
163.08646	0.6
173.10751	0.3
205.10077	0.2
220.07629	0.2
234.07925	0.4
237.10182	1.0
249.10242	0.8
280.14447	14.2
280.23065	0.3
281.14777	0.3
303.77628	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	281.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
55.01870	13.6
55.05506	12.2
57.03429	5.2
65.03958	3.8
67.05507	20.3
68.99787	8.2
69.03429	100.0
69.07064	30.5
70.06601	14.6
71.04993	8.0
71.52915	3.3
72.08158	8.7
79.05070	4.9
79.05495	55.0
81.03417	32.9
81.07055	57.3
82.06583	2.8
83.04965	8.0
83.08617	4.4
84.08136	12.8
85.02890	8.8
85.06532	14.9
86.09721	10.7
87.00812	4.8
87.10063	3.0
91.05473	60.0
93.03416	3.2
93.07044	39.9
95.01331	3.3
95.04984	31.9
95.08595	16.5
97.02892	12.2
97.06532	82.8
99.04457	6.0
99.08109	3.7
101.06012	5.7
103.05479	6.5
105.03378	5.9
105.07034	42.8
107.04961	37.7
107.08597	37.2
109.02870	12.8
109.06503	39.6
109.10150	8.1
110.07123	2.8
111.04446	8.3
111.08073	7.4
112.08681	2.8
113.06033	3.7
115.05470	3.6
116.06241	6.5
117.07018	10.0
119.04949	4.6
119.08576	23.6
120.08119	6.7
121.02874	18.7
121.06517	20.3
121.10126	15.3
123.04420	5.6
123.08062	7.9
125.06017	3.2
125.09628	4.9
127.03918	6.5
127.07562	17.8
128.06223	3.3
129.07013	7.3
131.04933	3.7
131.08568	35.7
133.06485	12.2
133.07475	2.6
133.10133	8.1
135.04417	17.2
135.08031	13.8
135.11673	5.2
137.05978	3.3
137.09639	3.5
139.07501	3.1
141.06958	3.7
143.08540	3.5
144.05650	2.9
145.06425	3.7
147.04367	4.4
147.08064	17.3
149.06017	6.5
149.09624	50.0
149.48210	3.0
150.79645	2.8
151.07576	5.3
151.11168	3.2
153.01831	6.3
157.10135	4.9
159.08083	16.6
163.03929	12.3
163.07509	4.6
165.01842	6.7
165.09044	5.3
167.03433	4.1
173.76274	2.8
175.07571	7.5
177.09106	87.5
181.05093	5.2
183.02942	8.7
183.11433	2.7
191.03400	22.0
192.04233	3.3
195.02953	4.8
195.10165	23.7
207.06544	3.2
217.05020	4.9
217.06877	6.4
219.02916	24.8
221.08134	5.3
235.07959	11.8
237.09096	5.7
245.04483	9.8
263.05426	10.9
263.09421	22.0
263.13351	4.5
263.16394	5.1
281.06909	4.1
281.10245	61.4
281.14722	6.5
281.17828	3.7
281.24881	3.2
283.02988	3.2
299.06216	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	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.53252	0.5
53.03938	1.1
53.34639	0.6
55.05508	9.8
57.07079	3.1
65.03935	2.9
67.05504	95.4
68.05836	1.0
68.41446	0.6
69.07063	7.3
71.04981	1.4
71.08643	0.8
79.05490	13.4
79.05917	1.1
81.07055	100.0
82.07381	1.5
83.04993	1.2
83.08622	5.5
85.06516	1.5
86.59420	0.6
91.05493	2.9
93.07043	11.6
95.08605	77.1
96.08949	1.1
97.06538	1.5
97.10164	2.5
105.07016	3.8
107.08591	8.5
109.06511	1.0
109.10152	27.2
117.07046	1.5
119.08587	3.0
121.10131	6.1
123.08067	1.7
123.11703	13.4
125.63041	0.6
127.07533	0.8
131.08607	3.7
133.10147	2.4
135.08081	0.8
135.11682	5.2
137.09604	0.6
137.13245	10.4
139.11122	0.6
141.45943	0.6
142.05794	0.5
144.08034	0.8
145.10135	2.3
147.11673	1.9
149.02342	5.4
149.09613	1.3
149.13254	3.2
151.14821	4.5
159.11711	3.2
161.13231	1.9
163.11154	1.6
163.14824	1.3
165.12740	0.7
165.16362	0.9
165.18675	0.7
167.10660	1.2
173.13278	5.8
177.12762	2.0
177.16280	0.9
181.12227	1.7
187.14812	2.4
191.14398	1.5
195.13795	2.2
196.24693	0.7
205.15822	0.9
209.15390	2.9
223.16924	2.1
229.08913	0.8
229.11050	0.6
243.21080	2.5
261.22089	2.8
279.17322	1.4
279.23187	22.9
280.23499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.05497	1.0
55.20393	0.2
58.99572	0.8
59.04988	0.4
61.01123	0.3
67.05511	0.3
69.07056	0.4
70.06580	0.7
71.04972	0.3
79.05466	0.5
81.07039	0.6
87.02695	4.7
91.05469	0.7
93.05762	0.5
95.04964	0.5
95.08601	0.6
98.20791	0.5
105.03385	1.7
105.07028	0.9
106.06575	0.4
107.08598	0.3
108.04494	0.5
113.05986	0.3
115.07572	0.7
117.05746	0.3
118.06525	2.0
119.07326	0.7
120.08102	7.7
121.02874	0.4
121.08882	8.2
122.09683	3.7
130.06496	0.9
132.08081	3.0
133.08876	1.4
134.09654	2.7
135.46518	0.3
145.08875	3.0
146.09642	19.0
147.10445	4.1
148.11206	16.1
149.02325	1.0
149.11670	0.3
150.02664	0.9
151.61096	0.3
159.04846	0.3
159.06320	0.9
159.10382	0.7
160.07584	0.3
160.11264	1.7
161.11948	0.5
164.05325	0.4
166.06810	0.4
172.11208	0.7
174.12767	5.0
176.14339	10.1
192.10164	1.8
196.05273	0.3
202.15961	0.5
208.11554	13.1
210.05835	3.1
234.14835	0.3
236.14664	16.1
237.15002	0.5
280.13651	100.0
281.13922	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.03306	0.8
55.00375	0.7
55.05514	7.8
57.05172	0.7
57.07068	2.7
65.03921	2.6
67.05506	88.8
69.07068	8.0
69.22685	0.7
69.34663	4.5
69.35091	2.1
76.35316	0.7
79.05498	10.7
81.07056	100.0
82.07383	1.2
83.04964	1.0
83.08636	3.9
85.06508	1.3
91.05476	2.2
93.07028	8.2
95.04942	0.8
95.08608	70.6
97.06537	1.2
97.10166	2.8
99.58065	0.8
100.85951	0.8
105.07030	3.2
107.08590	5.5
109.06487	1.4
109.10159	42.9
111.11730	0.9
119.08633	1.8
121.10162	4.9
123.11707	26.6
131.08546	2.7
133.10152	1.8
135.11702	3.8
137.09680	0.9
137.13255	12.1
141.09183	0.9
145.10103	1.1
147.11693	1.8
149.02336	4.1
149.09613	0.8
149.13264	2.0
151.11188	0.8
151.14793	2.8
159.11707	2.7
161.13251	1.5
163.11176	1.3
163.14830	1.4
164.11859	0.7
173.13289	4.0
177.16426	1.2
179.14273	1.1
181.12256	1.3
187.14830	2.0
188.72655	0.7
191.14413	1.0
195.13837	1.6
205.15863	1.1
209.15361	2.5
223.16931	2.1
237.18501	1.1
237.57860	0.7
243.20982	1.6
261.22247	3.6
261.95248	0.8
279.23203	36.4
280.23615	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	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.14306	0.3
51.02383	0.4
53.03943	1.0
55.05511	9.3
57.03424	0.8
57.07080	3.9
64.68020	0.5
65.03933	2.7
67.05502	99.0
68.05833	1.6
69.07065	9.9
71.04980	1.6
71.08633	0.4
71.14644	0.7
79.05491	13.5
80.44104	0.4
81.07054	100.0
82.07395	1.2
83.04975	1.2
83.08617	6.5
85.06532	1.7
86.00510	0.4
86.67677	0.4
91.05485	4.8
93.07043	14.2
95.04965	1.0
95.08604	81.6
96.08936	1.0
97.06537	1.7
97.10165	3.4
99.08082	0.7
105.07019	3.7
107.08591	8.6
109.06515	0.9
109.10153	46.7
110.10505	0.9
111.08118	1.0
111.11722	1.2
113.06026	0.5
117.07016	1.9
119.08572	4.2
121.02847	1.1
121.06473	0.8
121.10139	8.3
123.08066	1.8
123.11701	23.1
125.09652	0.9
127.07552	0.9
129.96387	0.4
131.08540	3.7
133.10085	3.5
135.08072	1.0
135.11688	5.6
137.09627	1.5
137.13254	9.1
139.11208	0.6
141.09106	0.4
144.08061	1.0
145.10123	3.4
147.11693	2.7
149.02333	14.9
149.09598	1.1
149.13264	3.5
151.11203	0.8
151.14775	2.3
153.00502	0.7
153.12737	0.6
155.10670	0.7
158.03247	0.9
159.10419	0.4
159.11655	2.3
161.13254	2.4
163.11186	1.6
163.14772	2.1
165.12752	1.5
167.10684	0.8
173.13258	3.5
175.14848	0.9
177.12747	1.5
177.16441	0.8
179.14267	1.0
181.12257	1.7
187.14827	2.8
191.14270	1.5
195.13817	3.0
201.16374	0.9
205.15878	1.1
209.15392	3.2
219.21086	0.8
223.16881	3.5
237.18417	1.2
243.21172	3.0
261.22113	4.8
279.20044	1.4
279.23175	38.1
280.23428	1.6
299.49881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03956	0.9
54.54531	0.5
54.94703	0.5
55.05512	8.7
57.03440	1.3
57.07072	5.3
59.73978	0.5
60.22392	0.6
65.03938	3.1
67.05507	99.3
68.05843	0.7
69.07068	9.7
71.04996	1.6
71.18258	0.8
71.18595	0.7
79.05110	0.4
79.05493	13.5
81.07058	100.0
82.07391	0.9
83.04994	1.5
83.08620	5.6
85.06550	1.8
91.05472	4.8
93.07045	13.8
95.04973	2.1
95.08611	82.2
96.08919	0.6
97.06525	1.6
97.10170	3.0
99.08092	0.6
102.86818	0.6
105.03403	1.1
105.07025	3.2
107.04956	0.6
107.08594	7.5
109.06487	1.0
109.10158	46.8
111.08096	0.7
111.11718	0.7
117.07011	1.5
119.08601	4.0
121.02846	1.3
121.06487	1.0
121.10154	8.0
123.08080	1.4
123.11711	25.5
131.08571	4.7
133.10129	3.3
135.08095	1.1
135.11707	5.3
137.09598	1.1
137.13264	9.9
144.08069	2.0
145.10123	2.3
147.11674	2.6
149.02347	22.4
149.09650	2.1
149.13220	2.8
151.11176	1.3
151.14853	3.3
153.09081	0.9
159.11703	2.6
161.13293	2.3
163.11172	2.2
163.14822	1.7
165.12741	1.2
165.16330	0.9
167.10643	1.2
173.13243	3.6
177.12706	2.0
177.16406	0.8
181.12228	2.1
187.14835	3.5
191.14276	1.8
195.13773	2.3
201.16440	0.9
205.15862	1.5
209.15433	3.6
219.21048	1.0
221.13405	0.6
223.16957	3.7
237.18507	1.1
243.21046	3.4
250.70288	0.6
261.22192	4.1
279.19568	9.3
279.23126	38.7
280.23441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1702
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
51.99417	0.4
53.03961	0.4
55.01881	0.4
55.05504	0.5
57.03445	0.4
57.07077	2.8
60.11637	0.3
67.05491	0.4
69.03444	0.5
69.07050	0.4
70.06586	1.6
70.21809	1.2
72.08159	0.4
79.05494	0.7
81.03416	0.7
81.07072	1.1
83.36426	0.3
84.08150	0.9
86.09702	100.0
87.10038	0.7
91.05469	1.2
93.07051	1.3
95.04971	0.9
95.08586	1.0
97.06550	0.5
98.20821	0.5
102.03792	0.7
103.05457	4.5
105.03394	1.4
105.07005	0.9
105.66153	0.4
107.04961	0.4
107.08590	0.7
109.10183	0.4
115.05448	0.4
117.07013	0.6
119.08617	0.5
120.08096	77.9
121.02859	0.8
121.08416	0.9
121.10102	0.4
130.14601	0.4
131.04907	0.5
132.10236	1.0
137.05920	0.4
145.06519	0.9
148.87854	0.3
149.02332	16.1
149.07379	2.9
151.03906	0.5
155.08650	0.3
159.08009	0.4
162.09082	0.6
166.08643	9.7
167.03419	0.6
173.06017	0.5
175.03853	0.5
189.16484	0.4
205.08603	0.5
219.06444	0.6
219.10136	1.0
229.13353	0.9
233.16440	1.7
247.14420	0.5
261.11182	0.4
277.80234	0.4
279.09119	0.8
279.13861	0.5
279.17038	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	279.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37554	0.6
53.03949	1.1
55.01873	1.0
55.05515	1.5
56.05034	4.0
56.96558	5.0
57.03438	0.6
57.07076	9.0
60.04526	1.5
65.03931	1.4
67.05509	4.4
68.05019	1.0
69.03410	1.4
69.07053	1.5
70.06594	51.8
71.02796	1.1
72.08154	5.0
74.06075	3.9
79.05480	1.4
81.03378	1.0
81.07069	4.9
84.04504	3.0
84.08139	6.8
84.96055	0.7
85.02912	2.0
86.09705	4.1
87.05646	0.6
88.03998	0.9
91.04903	1.6
91.05480	29.9
93.07047	1.7
95.04990	2.0
95.06124	0.7
95.08593	3.4
96.09599	0.7
97.02883	1.1
97.06558	0.6
98.97581	6.4
102.05569	0.8
103.05482	1.2
104.05310	0.6
105.03390	9.8
105.07039	1.4
107.04973	1.9
107.08613	0.9
109.02945	0.8
109.06480	1.4
109.10172	1.5
110.06041	0.8
110.07148	3.4
110.97577	1.0
113.10770	1.8
114.05528	4.4
115.05467	0.8
116.07095	94.8
116.98656	4.6
117.06989	1.0
118.06558	1.7
119.04947	18.9
120.08112	2.6
121.02835	4.4
121.06520	2.5
123.04453	2.4
123.11672	1.3
128.98627	1.9
129.10237	3.9
130.06540	1.7
131.04956	1.2
132.08199	0.8
133.06523	0.7
133.10123	1.0
134.99658	3.0
136.07579	100.0
141.10237	1.9
145.06444	3.4
146.99635	1.6
147.04399	7.0
149.02344	76.1
154.05005	3.3
158.99666	2.3
161.60559	0.6
163.04051	1.0
165.00735	0.7
165.05566	0.8
167.03427	2.5
169.06552	1.1
169.13416	1.3
170.99667	1.0
173.05965	2.1
173.07263	0.8
174.96753	0.6
177.00652	4.4
177.05545	1.0
189.00684	2.9
189.04173	0.7
189.05670	0.9
191.06958	1.3
197.06062	1.4
197.10289	0.8
200.07129	0.7
201.05455	1.9
205.08609	2.5
207.01741	1.3
215.06943	0.9
215.13852	4.8
219.06552	2.2
220.09724	0.9
233.08200	1.5
233.13197	0.9
234.11150	0.8
237.02867	0.8
251.09207	1.0
253.11128	1.8
261.07660	1.1
262.10898	2.9
262.92435	0.7
271.12219	3.1
279.08743	2.2
279.13409	15.0
279.23218	2.2
297.04926	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
56.41697	0.3
56.89699	0.3
58.02966	0.4
70.78961	0.6
95.04979	1.4
105.03398	15.3
115.05431	0.8
117.07023	4.4
136.07594	4.3
143.07307	2.0
144.08089	100.0
145.06506	0.8
145.08374	0.9
149.02371	1.0
155.06020	0.5
162.09138	0.7
162.88696	0.3
230.09601	0.5
233.08398	1.5
236.10693	1.8
248.10728	2.3
255.26082	0.3
279.14996	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	279.1704
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
52.17963	0.4
53.03937	0.6
54.08873	0.4
55.01857	0.4
55.05520	0.5
57.05827	0.5
57.07081	4.3
58.30298	0.5
59.05006	0.5
65.03941	0.7
67.05504	1.6
68.06320	0.3
69.03436	1.0
69.07069	12.3
70.06599	1.8
70.99315	0.5
70.99620	0.7
71.04980	0.5
72.08141	1.2
79.05486	0.9
81.03431	0.5
81.07053	1.8
83.10654	0.4
84.04502	0.6
84.08148	1.4
85.02866	0.6
86.09707	100.0
87.10038	1.0
91.05460	2.7
93.07042	1.0
93.83981	0.4
95.04980	0.8
95.08607	1.1
97.02919	0.5
97.06512	0.8
98.97586	0.8
100.39989	0.4
101.06012	0.5
103.05437	0.6
105.03384	7.7
105.07028	1.3
107.04967	0.5
107.08616	0.9
109.02876	1.0
109.06483	0.6
109.10137	0.5
119.04945	1.0
119.08524	0.4
120.08105	11.0
121.02872	1.7
121.10143	0.8
123.04424	0.6
124.07571	0.4
125.10746	0.6
127.03923	0.6
128.06186	0.4
129.06944	0.5
131.04900	0.7
131.08588	0.5
133.06479	0.8
134.06035	0.5
135.04411	0.7
135.08104	0.4
135.11633	0.7
136.07570	0.5
137.06000	1.0
138.06323	0.7
145.06477	0.7
145.10089	0.5
147.04443	0.7
149.02348	25.7
154.04971	0.5
161.05983	0.7
162.09138	7.6
163.03943	0.7
163.07614	0.7
166.08643	5.3
167.03445	0.7
171.05017	0.5
175.03983	0.9
177.05537	0.4
181.05037	0.6
191.07071	1.6
205.08592	0.7
207.02945	0.6
207.06580	1.4
219.06596	0.6
219.10188	1.1
233.08113	0.5
243.10107	0.4
244.13396	0.8
261.07590	0.6
261.11337	1.3
261.15021	0.5
279.08731	1.2
279.12509	1.3
279.16995	5.8
279.23312	0.8
280.15671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1224
Annotation	Eleganolactone B
Peak:m/z	Relative Intensity
52.68128	0.6
55.01641	2.4
55.01937	21.2
55.05580	3.5
57.07140	4.5
59.04750	1.7
59.05068	16.9
60.91256	0.8
65.04003	0.7
67.05581	2.2
69.03495	1.0
69.07140	1.8
70.06665	4.7
71.05054	0.7
71.52794	0.9
72.08209	1.6
79.05494	3.3
81.03487	0.7
81.07092	1.2
81.31473	0.7
83.01421	1.3
84.04539	0.6
84.07773	0.7
84.08225	2.3
85.02975	1.0
85.06624	2.3
86.09701	4.8
91.05486	3.7
93.07114	2.2
95.04992	1.4
95.08674	1.0
103.05566	2.2
105.03391	8.5
105.07030	3.5
107.04984	3.2
107.08656	1.6
109.02992	0.7
109.06553	0.7
109.10232	0.7
110.06112	1.0
117.07027	1.2
119.04964	1.4
119.08672	2.3
120.08104	20.4
121.02939	2.4
121.06566	2.0
121.10201	0.6
123.04523	0.9
126.40850	0.6
128.06244	0.7
129.07036	1.1
129.10292	1.0
130.07794	0.8
131.08630	0.9
132.10245	0.8
133.02927	1.5
133.06549	1.1
133.10187	2.6
135.04410	11.8
135.08110	0.8
137.06035	1.7
145.06497	0.8
145.10196	2.4
147.04395	3.5
147.08130	2.4
149.02342	32.4
149.05981	4.5
154.05002	0.9
155.08568	1.3
159.08057	1.1
159.11778	0.7
161.02364	1.0
161.05980	9.2
161.09596	1.0
162.09142	4.5
163.03906	4.4
163.07558	3.7
165.58537	0.6
167.03497	0.7
173.09688	2.4
175.07567	8.3
176.08279	1.3
177.05486	6.5
177.09102	2.7
179.07159	1.1
179.10744	0.7
181.04961	11.6
181.06496	0.6
189.05525	1.6
189.09087	6.7
191.07066	2.5
191.10669	19.1
191.12343	1.1
201.09096	6.6
203.07016	12.9
205.04938	2.4
205.08585	0.9
205.12335	0.7
214.95126	0.7
215.10619	1.1
219.10158	100.0
220.10512	1.4
233.11720	7.7
233.16466	0.8
237.12759	1.1
243.10077	1.2
247.14371	1.3
261.11218	43.9
261.60291	0.7
262.11093	0.8
279.08923	2.2
279.12186	33.0
279.16608	3.8
279.22992	1.3
280.12466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1226
Annotation	Eleganolactone B
Peak:m/z	Relative Intensity
53.03931	0.4
55.01875	2.7
55.05487	1.4
55.93526	0.3
57.07076	3.5
59.04991	1.6
65.03918	0.5
66.41325	0.3
67.05495	1.6
69.03415	0.4
69.07060	0.7
71.04977	0.3
71.51579	0.5
74.62824	0.3
79.05485	1.9
81.03400	0.5
81.07053	2.1
83.04955	0.5
83.08636	0.3
85.06541	0.8
91.05475	3.2
93.07040	2.5
95.04948	0.7
95.08585	1.4
97.06515	0.4
103.05442	0.4
105.03369	1.0
105.07034	4.4
107.01286	0.7
107.04951	0.8
107.08576	1.2
109.06484	0.4
109.10123	1.1
116.98512	0.3
117.07001	1.2
119.04939	0.7
119.08595	5.4
121.02895	1.5
121.06496	0.9
121.10114	1.0
123.04409	0.9
123.11655	0.5
128.06213	0.3
129.06979	1.2
130.07765	0.8
131.08575	1.8
133.06496	0.8
133.10132	6.1
135.04411	2.5
135.08067	0.5
135.11649	0.7
139.07436	0.3
142.07729	0.8
143.08533	0.5
144.08037	0.7
145.06467	0.9
145.10129	3.9
147.04425	4.0
147.08032	2.8
149.02342	24.6
149.05937	0.7
150.02725	0.5
155.08557	2.3
158.06012	0.4
158.07248	1.2
159.04391	0.7
159.07996	0.9
161.06006	2.6
161.09592	0.6
163.03903	1.3
165.05429	1.7
167.03418	0.7
168.88943	0.3
171.08040	0.4
173.05988	0.4
173.09612	3.1
175.07549	29.0
176.07875	0.6
177.04051	0.3
177.05440	1.9
177.09070	0.6
181.04945	1.2
183.08047	0.5
186.06854	0.5
189.05505	0.7
189.09097	9.0
191.07034	0.4
191.10634	2.0
201.09119	11.8
203.07014	1.0
205.04933	0.4
215.10649	0.7
217.06529	0.3
217.08568	1.5
219.10161	100.0
220.10458	1.9
221.07970	0.3
233.11647	3.6
236.63441	0.3
238.13480	0.6
243.10075	0.9
245.47995	0.4
251.10713	0.5
254.33327	0.3
256.07364	0.3
256.14694	2.1
261.11224	81.6
262.09091	0.4
262.11557	1.9
279.09598	1.2
279.12274	27.7
279.23099	0.9
279.26712	0.4
280.12653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
55.01872	5.4
55.05487	1.5
56.05038	2.0
57.07076	12.1
61.02924	2.2
65.03953	1.8
67.05500	4.6
69.03430	4.9
69.07066	3.9
69.74155	6.1
70.06593	13.9
71.05000	1.6
72.08168	6.4
73.02912	5.1
79.05486	3.1
81.03415	2.3
81.07053	4.8
83.04990	1.9
84.08151	6.1
85.02905	2.7
86.09694	4.9
91.05477	9.6
93.03439	1.7
93.07007	1.5
95.04974	6.3
95.08610	2.9
97.02870	2.7
98.06074	1.6
103.03951	4.4
103.05462	3.6
105.03385	13.6
105.07037	4.5
106.03731	4.0
107.04961	7.3
107.08598	1.9
109.02886	3.9
109.10180	1.8
113.02367	1.5
115.05458	5.2
116.06293	1.5
116.07085	1.6
117.07004	8.7
119.04945	19.8
119.08584	2.1
120.08112	2.6
121.02849	7.8
121.06518	2.4
123.04438	21.8
127.03864	1.5
128.06244	2.8
129.07047	2.2
129.10274	2.1
130.06544	3.9
131.04939	15.0
131.08607	2.9
133.06490	13.8
135.04399	3.5
141.07013	5.5
143.08604	1.4
144.05707	5.3
145.06483	62.7
147.04413	79.3
147.08046	3.1
149.02342	100.0
149.05954	6.8
151.03917	2.0
152.06287	1.9
153.06918	1.9
155.06070	6.2
157.06514	13.3
159.04434	5.8
159.08046	7.8
160.05186	1.5
161.02391	3.6
161.05971	21.3
162.09126	5.1
163.03938	3.7
163.09502	7.1
165.05453	9.3
167.03427	4.1
169.06430	8.3
171.04373	9.2
171.08044	7.8
173.05981	44.2
175.03920	8.1
175.07515	3.7
177.05487	19.6
177.06952	2.3
179.03429	8.9
181.05020	1.6
181.06406	1.4
185.05942	12.4
187.07515	8.2
189.05475	14.0
191.07028	8.9
197.05969	19.0
199.07567	7.3
201.05470	19.3
203.07019	2.4
205.05014	1.6
205.08594	9.7
207.06525	3.7
215.07037	28.1
217.05006	1.9
219.06534	31.6
219.09882	1.5
231.06490	3.0
233.08102	23.7
233.11562	3.2
243.06491	7.7
247.05905	1.6
251.09204	4.8
261.07565	9.7
261.11908	2.0
261.14954	1.3
279.08716	15.3
279.13394	6.4
279.19461	6.8
279.23288	1.9
303.26474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0865
Annotation	Alternarienonic acid
Peak:m/z	Relative Intensity
50.51684	1.3
53.03954	3.2
55.01870	2.8
57.03423	1.6
57.07077	10.8
58.19492	1.3
65.03964	1.5
67.05490	4.3
67.28134	1.3
69.03410	2.1
69.15710	1.1
69.68689	9.7
70.06602	10.7
72.08144	6.0
79.05508	2.0
81.07071	3.2
84.04507	2.3
84.08146	5.2
86.09710	4.5
91.05472	7.8
93.07054	3.0
95.04982	4.1
95.08612	3.8
97.02927	1.5
98.97560	2.4
99.04576	1.3
100.02182	2.1
103.03968	1.6
103.05464	11.2
105.03391	32.6
105.07023	2.4
107.04945	5.9
109.06456	1.3
115.05453	28.4
116.06223	4.1
116.07026	1.3
117.07028	26.0
118.04171	2.9
119.04953	5.1
121.02849	5.8
121.06475	1.8
123.04442	5.9
127.03926	1.7
127.05401	3.4
128.06238	1.8
129.07005	1.6
129.10260	2.5
130.04147	3.6
131.04933	20.8
132.05650	2.0
133.06519	4.2
135.08116	1.3
141.07082	2.1
143.04932	16.2
144.05710	15.1
145.06496	74.0
147.04427	18.2
147.08064	3.8
148.05231	2.2
149.01161	3.3
149.02353	64.3
149.05971	5.7
155.04929	2.1
155.06039	15.5
157.06488	3.3
158.03636	1.8
158.06064	4.0
159.04387	8.8
159.08058	4.1
160.05202	4.0
161.05962	10.8
162.03130	4.7
163.03943	1.4
163.07608	1.5
164.06898	1.5
165.05505	1.8
169.06517	2.0
171.04439	5.9
171.08035	2.0
172.05171	11.9
173.05980	49.0
175.03827	3.2
175.07512	7.5
176.04732	5.3
177.05481	36.0
185.06004	3.7
187.03918	2.3
187.07434	2.2
189.05460	8.5
190.06268	12.5
191.07024	44.3
197.06003	5.8
199.07547	1.9
201.05487	20.4
203.03403	2.5
203.07069	3.3
205.05034	7.7
205.08603	69.3
209.08176	3.9
215.07065	5.5
218.05765	9.1
219.06564	28.2
229.04950	4.6
233.08095	100.0
243.06450	1.6
247.06038	18.9
251.09163	40.2
261.07571	10.3
279.08615	37.1
279.14017	3.0
279.22961	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	278.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.05514	2.4
59.05003	1.4
66.82417	0.2
69.21190	2.6
71.04987	3.5
81.03417	12.5
81.07041	0.3
85.06544	8.5
91.05470	0.3
107.04944	2.9
113.06003	100.0
114.06338	0.5
120.08074	0.4
129.05493	0.2
130.06505	0.3
133.02882	0.3
133.05234	4.2
135.04420	0.8
145.06520	0.4
146.06015	0.3
147.05617	0.3
147.06784	3.9
147.07918	0.4
148.07571	26.6
149.02324	0.5
151.03897	0.7
162.09119	0.7
166.08640	17.2
171.14706	0.2
178.04979	0.6
187.23735	0.3
187.92290	0.2
200.10736	0.6
213.07906	0.3
228.10255	0.7
233.11635	1.2
260.12906	0.3
278.13885	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	279.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	7.6
71.43202	1.0
71.95250	0.8
84.08073	0.7
84.37799	0.6
97.01206	0.6
98.97585	100.0
110.97573	15.4
116.98621	49.9
119.01930	0.8
128.98605	17.8
129.19260	0.6
134.99658	14.5
140.00206	1.9
143.00197	1.3
146.99644	9.8
153.00699	1.5
155.99866	0.6
158.01364	0.6
158.99657	27.7
161.01234	1.2
165.00702	0.8
170.99681	5.5
177.00717	45.4
189.00722	12.0
195.01781	3.9
199.98360	0.7
200.02376	2.6
207.01758	5.9
213.85631	0.6
219.01692	4.6
237.02802	6.0
255.03870	4.5
273.05008	0.8
279.04050	3.6
297.04984	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	279.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99466	0.5
56.96294	0.8
56.96561	9.0
71.21445	0.6
71.95245	0.9
73.55452	0.4
84.08158	0.5
84.96038	0.6
85.02903	1.0
85.42329	0.4
97.02927	0.5
98.97585	100.0
99.97900	0.7
110.97568	23.9
112.99128	0.9
116.07094	0.5
116.98621	49.8
120.18093	0.4
128.98607	26.5
131.00201	0.9
134.99664	14.0
140.00186	2.3
143.00171	1.3
146.99640	12.5
149.01253	0.5
149.02348	0.5
152.00204	0.8
153.00690	1.3
158.01244	0.8
158.99657	33.5
165.00766	1.2
170.01196	0.6
170.99657	11.3
177.00713	53.2
178.00941	0.6
189.00717	26.3
195.01781	5.0
198.04700	0.7
200.02339	2.7
201.00668	0.8
207.01779	15.7
212.02313	1.3
219.01743	3.6
225.02829	1.1
230.03456	0.9
237.02811	7.4
249.02881	1.0
253.11098	0.5
255.03859	3.2
267.83466	0.5
271.12341	0.7
273.04852	0.6
279.03873	5.9
297.04892	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	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	16.5
57.03432	0.7
60.95835	0.7
69.03426	1.3
69.83248	2.3
69.83662	1.2
70.06589	4.1
71.04985	0.7
71.95261	1.8
72.08155	0.9
73.02911	0.8
74.02435	0.5
76.82108	0.5
81.03449	0.9
84.04498	0.8
84.08145	2.4
84.96021	1.4
85.02899	2.1
86.09699	1.6
86.93138	0.5
95.08610	0.7
97.02882	1.8
98.20758	1.1
98.97584	100.0
102.96867	1.6
110.07130	1.2
110.97566	24.6
112.99138	1.3
116.98620	58.7
118.29834	0.5
118.87623	0.5
120.97857	0.8
128.98602	30.0
129.10284	0.7
131.00177	1.6
133.03455	0.8
134.99657	21.6
136.07582	0.7
140.00195	1.8
140.98634	0.8
143.00166	2.1
146.99652	16.8
149.01266	1.2
149.02327	5.2
152.98590	0.7
153.00719	2.5
158.99655	36.1
161.01230	1.2
165.00731	1.8
166.05319	1.1
170.01231	0.7
170.99655	14.9
177.00713	64.5
189.00713	35.2
195.01749	7.0
200.02350	3.6
201.00804	1.9
206.99765	1.1
207.01765	21.4
212.02287	1.4
215.14082	0.8
219.01743	6.2
225.02858	2.1
230.03363	0.9
237.02821	10.2
249.02899	0.9
251.02312	0.8
253.11034	3.3
255.03812	4.2
256.04895	0.9
259.08588	0.7
271.12054	4.2
273.04822	1.1
278.97015	2.7
279.03949	7.7
279.07227	0.8
279.13968	0.6
280.04553	0.6
296.97952	2.0
297.04840	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	278.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.9
55.05510	2.9
57.07098	0.4
57.83643	0.4
59.04996	0.9
59.85860	0.3
69.21945	0.7
69.22365	3.0
71.04995	3.1
75.60379	0.4
79.05492	0.6
80.66080	0.4
81.03420	12.7
82.54913	0.4
85.06078	0.7
85.06548	8.0
91.05474	0.5
93.06998	0.4
95.04968	0.4
95.08678	0.4
103.05524	0.4
107.04958	13.0
113.06007	24.3
118.06547	2.0
119.07324	9.6
120.08093	4.1
121.06504	1.1
121.44373	0.3
130.06473	0.7
131.04881	0.6
131.07253	0.5
132.08052	0.5
133.05234	22.1
133.48203	0.3
135.04411	3.6
146.06026	3.7
147.06793	32.8
148.07574	100.0
149.02361	0.8
149.07922	0.8
161.05948	0.4
165.07835	1.1
172.11182	1.2
178.05028	0.8
180.07892	0.3
185.08347	0.5
187.07594	0.6
200.10699	5.2
200.12410	0.5
205.77692	0.4
211.39783	0.4
213.07843	1.3
228.10229	5.5
232.06131	0.6
232.13255	0.5
233.11787	0.8
260.05600	1.3
260.12848	4.7
273.13797	0.7
278.06564	1.4
278.13879	14.5
278.16907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.01862	1.3
55.05501	3.6
57.03429	0.9
57.07051	1.1
67.05492	3.7
69.07071	7.4
69.23422	1.9
69.23838	7.8
71.04977	1.1
72.00881	14.9
77.03913	5.1
79.05489	6.7
81.03403	3.1
81.07053	2.0
83.08610	2.2
83.17709	0.8
85.06551	2.3
91.05480	5.6
93.07035	1.8
95.04961	2.9
95.08603	6.2
105.03381	3.9
105.07037	2.9
106.04160	2.2
106.06560	2.7
107.04961	15.2
113.05988	4.2
115.05467	1.2
117.06992	2.5
119.04924	1.8
119.08575	1.9
120.08059	1.4
121.06525	2.3
125.06022	1.6
129.07027	1.0
131.04881	2.3
131.08566	1.8
132.04463	1.5
133.02858	37.6
133.05238	3.2
133.06473	12.1
134.03632	8.1
134.05983	4.7
135.04420	86.0
136.04683	1.0
144.05693	2.1
145.06485	12.7
145.10086	1.5
146.06023	1.0
147.04408	8.3
147.05475	1.1
147.06798	5.0
147.08037	16.2
148.07570	15.0
149.02332	2.5
149.05946	1.0
151.03902	57.7
157.06445	1.3
158.07298	2.4
159.04417	3.0
159.07991	4.4
159.11674	2.2
159.85246	1.3
160.03943	2.9
161.04749	2.2
161.05934	1.9
161.09619	1.8
165.05490	3.6
167.03340	1.0
173.06062	4.8
173.09644	8.7
174.05472	1.3
177.05475	1.4
178.04997	100.0
185.05962	1.5
187.07574	1.2
187.11150	3.4
189.12770	3.5
190.04924	1.5
191.07065	1.1
192.06549	4.7
197.09698	1.8
200.06900	1.2
200.10663	1.8
203.10648	1.4
204.06612	4.2
210.09239	1.0
215.10657	17.1
218.08128	7.5
224.10753	1.7
225.11456	2.0
232.13213	1.2
233.11729	93.7
234.12158	1.1
242.11794	3.9
251.12781	4.2
260.12845	22.2
278.01245	1.1
278.11395	1.3
278.13876	33.5
278.21136	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1386
Annotation	Convolidine
Peak:m/z	Relative Intensity
55.01872	2.1
55.05500	2.0
59.74022	1.0
64.91155	1.0
67.05486	2.8
69.07072	9.7
69.98404	4.5
70.06553	1.2
72.00881	15.5
77.03917	5.4
79.05486	6.4
80.22099	1.0
81.03443	1.5
81.07050	2.1
83.08607	3.5
90.00414	1.0
91.05468	4.2
93.06995	1.0
95.04952	2.7
95.08613	5.5
96.32587	1.0
105.03389	4.6
105.07001	2.4
106.04190	1.3
106.06544	2.1
106.78909	1.0
107.04953	11.5
113.05997	1.2
115.05421	1.1
117.07008	3.1
121.02874	1.0
121.06487	2.9
123.04387	1.6
125.05975	1.2
131.04910	1.3
131.08618	1.8
133.02853	36.4
133.06482	12.9
134.03654	7.4
134.06009	3.9
135.04422	80.2
140.44864	1.0
144.05699	1.8
145.06502	11.4
147.04446	8.9
147.08052	16.0
149.02380	5.0
149.05968	1.3
151.03909	51.4
158.07269	1.7
159.04399	2.5
159.08035	4.1
161.04738	1.5
161.06007	1.8
161.09563	1.9
165.05463	3.4
167.03415	1.2
171.08029	1.6
173.05975	4.8
173.09685	6.4
174.05429	2.0
177.05476	1.9
178.04999	92.9
179.05417	1.2
186.95557	1.2
187.11201	2.4
189.12727	3.5
191.07042	1.8
192.06564	3.3
197.09637	3.1
200.06992	1.4
203.10768	1.2
204.06569	4.0
215.10667	20.3
218.08189	7.1
225.11456	2.8
233.11723	100.0
234.12025	1.9
242.11781	2.3
251.12825	4.8
260.12814	20.0
270.49222	1.0
278.00967	1.4
278.13901	31.0
291.19357	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01880	1.6
55.05512	2.3
67.05491	5.2
69.07061	9.4
71.04972	2.4
71.18045	3.0
72.00879	16.0
74.98734	1.3
77.03921	6.2
79.05480	5.6
81.03409	8.8
81.07065	3.7
83.08621	2.7
85.06546	4.9
87.44256	1.3
91.05484	5.6
91.08253	1.5
93.07037	3.2
95.05026	2.8
95.08585	4.1
105.03370	7.2
105.07002	2.4
106.04169	1.8
106.06564	1.9
107.04961	15.1
109.10213	1.4
113.06009	62.4
117.07018	3.0
118.33700	1.5
119.08594	1.8
119.21320	1.5
121.06484	2.4
129.08366	1.3
130.41603	1.7
131.08612	2.3
133.02859	35.0
133.05212	2.3
133.06503	10.7
134.03697	7.1
134.06000	3.7
135.04417	86.3
136.04750	2.2
136.58257	1.3
144.05705	2.9
145.06450	11.3
147.04448	8.8
147.06911	2.6
147.08014	15.1
148.07558	16.9
151.03900	59.2
158.07219	1.7
159.04420	2.9
159.08081	3.9
161.04741	1.7
161.09619	2.9
165.05458	3.6
166.08633	11.2
171.07983	1.6
173.05962	4.3
173.09653	8.3
178.04997	98.0
185.06029	1.7
187.07559	2.1
187.11200	3.5
189.12794	4.4
190.04988	2.2
192.06580	5.2
197.09439	1.7
197.39287	1.3
204.06717	2.2
207.06448	1.5
207.97235	1.5
215.10704	19.8
218.08174	9.5
225.11537	1.7
228.10332	2.0
233.11722	100.0
242.11797	3.3
251.12694	3.8
260.12888	18.8
277.87146	1.6
278.10950	2.8
278.13873	32.6
278.25504	1.9
291.15912	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
55.05512	4.0
60.04520	1.7
67.05485	5.0
69.03436	2.1
69.07072	8.0
70.06590	7.2
71.53434	1.9
72.00867	14.1
72.08147	2.6
77.03944	5.1
79.05486	7.7
81.03389	2.9
81.07053	3.1
82.40401	1.5
83.08630	1.8
84.08160	2.9
85.02902	2.3
85.06535	1.8
85.33360	1.6
86.09698	5.2
91.05488	8.0
93.07038	2.0
95.04958	4.9
95.08604	7.4
97.02901	2.1
98.97594	1.8
103.05507	2.1
105.03414	4.1
105.07053	4.1
107.04967	15.3
107.08590	1.8
109.02872	2.7
117.07018	3.4
119.04959	5.8
119.08585	4.3
120.08083	5.5
121.06470	2.6
123.04443	2.7
125.05960	2.5
127.03878	1.7
131.04944	3.1
131.08530	3.2
133.02846	35.9
133.06485	13.5
134.03625	7.2
134.05957	2.8
135.04413	98.8
137.05939	2.3
145.06499	10.7
147.04402	13.1
147.08044	16.6
149.02299	10.8
151.03903	61.0
152.04236	3.3
158.07295	4.3
159.04422	3.4
159.08084	4.8
160.03865	1.7
161.05917	4.5
161.09592	3.3
165.05470	4.3
173.06000	4.8
173.09604	8.5
174.05447	1.8
175.03944	4.6
177.05548	2.6
178.04990	100.0
187.11180	3.7
188.07108	2.9
189.12791	5.1
191.07024	2.4
192.06534	7.0
197.09564	2.1
202.08754	2.3
203.10612	2.1
204.06496	7.8
205.08638	1.8
207.06483	12.8
214.08733	1.7
215.10658	22.9
218.08224	10.5
233.11716	92.7
242.11783	5.9
251.12808	5.4
260.12854	22.8
278.07040	2.8
278.13864	38.6
278.17334	3.5
278.21326	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	278.1384
Annotation	Convolidine
Peak:m/z	Relative Intensity
51.02385	0.6
53.03936	0.9
54.04672	0.6
55.01854	0.6
55.05503	0.7
57.67198	0.6
67.05496	2.5
69.07064	9.7
69.47031	5.3
72.00508	1.1
72.00876	14.8
75.58694	0.6
76.42361	0.7
77.03928	5.5
79.05484	5.0
80.99165	0.6
81.03426	0.8
81.07044	1.9
81.73646	0.6
82.04190	0.6
83.08605	2.1
88.64793	0.6
91.05473	2.5
93.07021	1.4
95.04965	2.7
95.08594	4.8
103.05434	1.3
105.03387	3.2
105.07016	2.6
106.04162	2.2
106.06543	2.4
107.04961	10.3
109.02840	0.7
112.07617	0.8
115.05507	0.6
117.06999	1.6
119.04965	0.9
121.02827	0.9
121.06488	1.2
123.04437	1.8
125.05990	1.2
129.06958	0.7
131.04947	1.4
131.08548	1.8
133.02849	30.6
133.05408	1.1
133.06488	11.1
134.03665	5.8
134.06017	3.7
135.04414	75.8
144.05647	1.9
145.06494	10.0
147.04396	7.1
147.08043	14.0
149.05974	0.9
150.05475	1.6
151.03902	53.5
157.06470	0.7
158.07245	2.4
159.04388	2.0
159.08060	3.7
160.03879	1.3
161.05969	1.6
161.09602	2.4
165.05453	2.4
171.04425	0.8
173.05994	5.4
173.09619	7.5
174.05519	1.2
176.07077	0.8
177.05475	1.5
178.04991	92.4
179.05447	0.8
179.07039	0.7
187.07597	1.2
187.11095	3.0
189.12743	3.9
190.04977	1.9
191.07034	1.4
192.06575	3.8
197.09566	1.8
200.07072	1.4
203.10675	1.3
204.06587	3.5
210.09114	1.1
214.12256	0.7
215.10680	16.8
218.08160	5.5
225.11455	3.8
226.32106	0.7
228.10350	0.7
233.11719	100.0
234.12074	1.5
242.11739	2.8
243.31725	0.7
251.12732	4.2
256.02798	0.6
260.12827	24.2
278.13867	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	278.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.05500	2.0
57.07078	1.2
61.44024	0.7
67.05490	2.1
69.07069	5.0
69.23900	5.8
69.24313	2.1
70.06570	1.7
72.00867	2.8
77.03930	4.1
79.05484	2.6
81.03390	0.7
81.07069	1.4
83.08607	1.7
85.02929	0.7
85.06559	1.2
86.09740	0.9
91.05492	4.3
93.07064	1.1
95.04952	2.6
95.08590	2.7
98.97598	1.9
103.05450	2.1
105.03387	5.8
105.07014	3.4
107.04960	5.7
109.10162	1.2
113.48529	0.7
115.05431	0.8
117.07000	2.8
119.04929	0.9
119.08587	1.8
120.08120	1.1
121.02875	0.7
121.06513	1.1
121.10076	0.7
123.04442	0.8
130.06516	1.7
131.04912	1.3
131.08586	2.2
133.02855	32.8
133.06464	4.6
134.03662	1.8
135.04427	20.6
143.08627	0.7
144.05708	2.1
145.06487	9.3
145.10115	1.3
146.05965	1.1
147.04419	8.4
147.06911	1.5
147.08046	8.5
149.02342	4.2
149.67468	0.7
151.03908	50.1
152.04202	1.1
153.09184	0.7
158.06006	4.4
158.07205	1.6
159.04425	1.7
159.08041	3.5
159.11641	0.9
161.05980	2.0
163.03828	1.1
165.05479	2.2
169.09938	0.7
171.08096	0.9
173.06006	3.7
173.09621	5.8
176.07069	0.8
177.05521	2.3
178.05003	16.7
179.08563	0.8
187.07507	1.5
187.11179	1.2
189.12785	0.9
191.07018	1.3
197.09660	1.1
204.06549	1.3
207.06398	0.9
215.10640	12.0
218.08183	1.7
232.09894	0.9
233.11736	100.0
234.12057	2.7
241.84460	0.7
251.12814	2.1
260.12851	4.5
263.42834	0.8
278.06693	1.4
278.13953	9.8
278.21307	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	278.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.05496	3.7
56.05016	2.9
56.96301	1.1
56.96563	17.2
57.03425	1.9
57.07058	3.5
58.06591	2.2
60.04512	1.0
61.02907	1.6
67.05492	3.1
68.05023	2.1
69.03423	5.4
69.07034	0.9
70.06591	12.3
70.07543	4.8
71.04971	2.8
72.08138	3.9
73.02911	2.6
74.06070	1.1
81.03394	2.8
82.02944	0.9
83.04967	1.1
84.04516	4.7
84.08138	11.3
84.96014	1.6
85.02899	9.0
85.06524	2.8
86.09690	2.8
87.04443	1.5
88.03970	1.3
91.05457	1.2
94.06536	1.8
95.04950	2.1
97.02881	7.5
97.06507	1.1
98.97588	28.7
99.04443	1.3
101.13862	0.9
102.05535	1.3
103.05456	1.6
104.05349	1.1
105.03397	4.7
107.04975	1.6
108.64653	0.9
108.86594	0.9
109.02898	1.0
110.07146	5.7
110.97553	4.8
112.07590	1.2
113.07118	1.2
116.07079	2.9
116.98625	22.6
119.01821	2.1
119.04976	1.0
123.04427	1.2
127.03884	2.6
128.02342	1.0
128.98615	8.7
129.10229	2.2
130.06525	61.0
130.08606	3.4
131.00169	1.4
131.04886	1.1
131.06837	0.9
132.04451	9.4
132.08052	2.6
133.03323	1.0
134.06119	1.0
134.99661	13.5
136.07550	2.1
140.07103	1.2
142.06494	2.3
143.00218	1.2
145.06467	1.2
146.06049	2.7
146.99672	8.8
147.03242	1.8
147.04405	3.2
149.01228	1.0
149.02316	9.7
153.00681	2.2
155.04655	5.1
157.07608	100.0
158.01279	1.4
158.06023	16.7
158.07285	1.2
158.08032	2.9
158.99640	10.8
159.03290	1.4
159.09166	6.8
160.07568	1.0
161.01180	2.5
161.04649	2.6
164.05182	1.8
165.00780	1.1
165.04245	1.2
165.05501	2.2
170.05170	1.1
170.99623	2.9
172.55467	1.0
175.08682	14.6
177.00719	23.8
185.07111	25.1
187.08754	1.3
189.00769	7.9
189.04237	1.7
190.08557	1.0
191.03949	1.2
191.05701	2.0
195.01730	2.8
197.01161	1.2
197.07465	2.3
200.02261	1.8
201.00688	1.8
207.01758	5.5
219.01805	5.1
227.06749	5.1
232.02782	1.0
232.05817	1.0
232.11621	0.8
233.06664	1.5
236.07239	1.3
236.17216	1.5
237.02818	8.6
253.11205	1.3
255.03935	1.5
260.10312	76.2
261.10645	1.3
271.12137	1.9
278.10651	5.2
279.03961	2.2
279.07321	1.4
291.07291	1.9
296.08881	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	8.0
55.05503	3.7
57.07063	1.0
59.05005	2.2
65.03932	2.1
70.06591	0.9
70.77290	1.4
71.04986	4.2
72.00880	100.0
81.03411	14.1
81.07048	1.7
85.06553	8.1
90.01933	4.6
93.07069	1.0
94.07343	1.1
95.04968	7.3
105.03391	2.2
105.04029	0.9
109.40005	0.8
113.06005	43.5
120.04440	1.9
121.02869	54.5
133.02840	6.7
135.11662	1.1
138.05521	1.8
147.08051	1.4
147.09261	1.0
147.81252	0.8
148.03900	6.0
149.02330	3.6
149.04720	1.7
151.03874	2.2
151.70906	0.9
158.06070	2.2
166.05003	97.5
167.05368	2.2
171.09605	0.8
175.07504	1.2
246.07632	1.5
268.48331	0.9
278.10257	2.8
278.21820	2.6
278.24506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.3
55.05490	2.0
56.05024	4.2
56.96566	7.2
57.07058	2.8
57.51537	1.2
57.84644	1.2
60.04520	2.9
63.52274	1.0
67.05492	1.6
69.03413	3.8
69.04533	4.8
69.07058	3.3
70.06590	24.0
71.52014	1.3
72.08155	6.3
74.02441	1.8
74.06056	2.8
75.61332	1.1
76.04019	1.2
79.05481	2.4
81.03392	2.5
81.07034	1.4
83.04979	1.9
84.04481	4.9
84.08150	11.4
85.02886	3.7
85.03989	2.0
85.06504	2.4
86.09684	5.4
88.03963	2.1
91.05457	1.8
92.84116	1.1
93.07008	1.3
94.06542	1.4
95.01294	1.2
95.04929	1.8
95.06066	2.2
97.02847	2.6
98.97594	5.7
102.05503	1.3
104.67775	1.2
105.03360	4.9
105.23166	1.3
105.29202	1.1
110.07161	7.7
115.05053	4.1
115.92005	1.2
116.07078	4.0
116.98620	5.2
119.04913	2.5
120.08137	1.6
121.02883	2.1
121.08570	1.4
123.04430	1.3
127.03913	1.6
128.98575	2.1
129.10222	2.7
130.06519	100.0
131.06819	2.6
132.04440	23.6
132.08087	5.9
134.99667	3.4
136.07568	4.7
137.39148	1.2
141.10181	2.0
146.06001	6.2
146.99631	1.8
147.04375	3.9
148.07532	1.9
149.02321	18.0
154.06447	1.5
155.05978	1.7
157.07602	21.5
158.05997	46.6
158.99605	2.0
159.09183	11.5
160.07547	2.4
169.07616	2.8
173.07178	2.9
174.05479	2.3
175.08667	65.5
176.07089	1.7
177.00714	5.5
181.07558	5.4
185.07089	3.2
187.08626	3.5
187.10811	1.2
197.07094	2.0
198.10191	6.1
199.08604	1.5
202.10794	2.2
203.08153	9.4
204.06555	4.2
214.09811	1.9
215.08130	3.5
215.13911	3.0
216.11333	3.1
219.06644	1.8
221.09181	54.8
225.06467	2.9
231.07657	3.0
232.10878	8.8
236.17392	1.6
242.09232	3.2
243.07629	21.8
253.11162	2.0
260.10236	16.6
271.12250	2.7
278.07040	1.1
278.08109	1.4
278.11349	17.6
299.46057	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.9493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	11.1
60.04525	0.9
69.99249	3.8
71.95243	1.5
72.04501	0.8
84.08123	2.1
85.02885	1.6
97.02879	1.4
97.86926	0.6
98.97580	31.7
99.97925	1.1
109.16135	0.6
114.65466	0.7
116.98620	28.8
117.98947	1.0
119.01909	3.3
120.01990	1.4
120.97881	1.2
134.99655	16.4
135.99979	1.0
142.03488	1.1
143.00111	1.1
152.51451	0.8
153.00711	2.3
156.96603	0.7
158.01276	1.2
174.97586	5.1
176.90199	0.9
177.00685	1.0
192.98755	4.8
193.00131	0.8
194.91132	3.6
197.00615	1.7
203.60332	0.8
212.92232	18.6
216.98689	0.9
218.91232	1.3
223.01326	0.7
228.89955	1.4
230.89757	1.4
230.93289	19.2
234.99763	1.7
236.16519	0.7
236.92339	2.6
245.92027	1.8
248.94376	8.4
251.99054	1.1
254.93288	19.6
258.99594	1.1
259.99979	5.1
263.93698	4.0
264.43900	1.4
270.91299	0.9
272.94366	100.0
273.13528	1.1
273.44394	1.7
273.94608	2.9
274.94620	1.4
274.97400	0.9
275.44733	1.7
277.00830	1.3
277.94992	1.6
278.00970	9.3
278.96680	1.6
279.00690	0.9
281.93054	1.1
284.45230	2.1
288.92145	2.6
290.92316	2.7
290.95419	66.9
291.95520	1.4
295.95868	11.4
296.97974	0.9
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
53.03939	4.6
55.01872	10.0
55.05270	1.6
55.05514	22.7
57.03435	8.4
57.07066	3.2
59.04993	1.1
65.03934	1.2
67.05508	40.2
69.07073	21.6
69.74125	5.1
71.04985	2.7
71.08636	1.6
74.43217	0.9
79.05498	67.4
81.03407	1.5
81.07059	51.1
82.30334	1.2
83.04984	4.1
83.08622	10.8
85.06556	5.0
91.05484	33.9
93.07047	100.0
94.07385	1.5
95.04973	7.8
95.08610	44.4
97.06538	6.4
97.10174	6.4
98.21482	2.0
99.08107	2.2
105.04512	1.4
105.07037	19.0
107.08599	60.2
107.91547	1.0
109.06530	5.8
109.10162	19.1
111.08089	8.8
115.07627	1.0
117.07041	5.5
119.08577	15.6
121.06489	2.3
121.10150	57.3
123.08060	4.1
123.11703	4.2
125.09629	3.4
129.07007	2.7
131.08565	7.7
133.10126	16.6
135.08109	1.5
135.11697	47.2
137.09592	3.9
137.13283	1.4
139.11191	2.0
143.08592	2.9
145.10129	9.1
146.26402	1.1
147.11700	9.9
149.09621	2.4
149.13268	24.2
151.11172	3.7
152.08907	1.0
157.10109	2.1
159.11702	4.2
161.09595	1.3
161.13242	7.6
163.11180	3.3
163.14835	5.1
165.12747	2.8
167.10706	1.0
167.83044	1.0
171.11690	4.7
173.13297	2.8
175.14847	3.7
177.12822	1.4
179.14215	1.1
181.12294	2.2
185.13283	4.7
187.14845	7.8
189.12712	1.9
195.13831	3.1
199.14775	1.8
201.16263	1.3
203.14355	1.5
205.15909	4.6
207.13861	2.5
209.15485	1.1
213.16335	1.1
221.04448	1.3
221.11732	1.2
221.15329	4.2
221.18906	1.6
231.17459	1.4
235.16945	4.7
241.19588	3.2
259.20587	9.4
277.21637	99.8
278.21848	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	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
50.74961	1.3
53.03941	2.8
55.01868	2.1
55.05508	19.1
57.03418	2.4
57.07065	5.9
59.04997	3.1
61.44718	1.1
64.95092	1.3
67.05505	23.6
67.92982	1.2
69.03433	17.0
69.07069	18.3
69.75606	2.9
69.76025	5.0
71.04997	9.9
73.14871	1.1
77.03920	1.3
79.05495	24.5
81.03419	7.7
81.03799	1.3
81.06590	2.8
81.07056	51.7
83.04984	16.2
83.08618	13.4
85.06538	13.4
91.04964	2.1
91.05486	18.1
93.07044	56.8
93.07645	2.7
95.05000	7.2
95.08607	30.9
95.09211	1.3
97.06535	9.5
97.10181	2.8
99.08092	2.3
103.05457	2.3
105.03397	4.2
105.07031	27.5
107.04951	3.1
107.08592	50.5
109.06513	19.2
109.10156	43.3
109.10729	0.7
109.10928	1.4
110.10502	1.4
111.08082	14.6
113.09637	17.1
114.43172	1.3
117.07008	4.2
119.08588	27.6
121.06504	4.5
121.10141	58.6
122.07227	1.9
123.08067	10.1
123.11697	21.4
125.09621	11.2
129.07013	2.1
129.09073	1.4
131.08560	9.0
133.06531	2.0
133.10133	33.3
135.08058	6.2
135.11690	30.5
137.09628	18.9
137.13156	2.5
139.11176	11.7
143.08553	3.8
145.10114	12.1
147.08084	3.0
147.11681	15.1
149.02338	29.8
149.09608	13.2
149.13246	13.7
151.11183	41.8
151.12376	2.7
157.10120	4.8
159.08148	1.7
159.11703	11.8
161.09612	4.1
161.13260	11.5
163.11189	3.2
163.14842	2.3
165.12767	6.4
171.11655	3.5
173.13231	5.3
175.11200	6.0
175.14838	25.1
177.12724	1.4
179.14243	2.8
180.06311	1.3
185.13245	9.3
187.14879	1.4
189.12723	5.5
189.16324	1.6
190.02592	1.4
193.04839	1.6
193.15883	6.7
199.14819	3.2
201.16385	13.0
203.07027	2.5
203.14326	12.5
205.04970	5.2
215.18039	1.6
217.19484	2.5
219.17453	3.4
221.15414	2.2
235.16930	3.0
241.19530	9.2
245.07980	1.7
259.09592	1.8
259.20520	18.0
277.18243	5.0
277.21622	100.0
278.21933	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	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03936	3.8
53.24158	1.2
55.01865	5.9
55.05509	20.4
57.03421	1.5
57.07065	8.1
62.86490	1.2
63.79866	1.2
64.53127	1.2
65.03931	3.9
67.05505	42.4
69.03433	1.4
69.07066	15.8
71.04990	4.5
71.08612	4.6
77.03938	1.6
79.05490	60.8
81.03403	2.3
81.07054	51.8
81.07529	2.7
83.04981	3.1
83.08619	10.2
85.02888	1.3
85.06534	3.6
86.91057	1.5
91.05481	31.6
91.95262	1.2
93.07043	100.0
95.04987	10.7
95.08607	35.4
97.06528	4.1
97.10172	6.3
99.08081	3.8
105.03392	6.5
105.04508	2.2
105.07026	21.4
107.04967	1.7
107.08595	49.0
107.09314	3.1
109.06499	4.9
109.10150	16.9
111.08057	4.9
112.29572	1.2
117.07000	4.6
118.06548	1.4
119.08574	15.4
121.06496	3.1
121.10138	40.4
123.08073	2.2
123.11706	6.5
125.09644	2.9
129.07024	3.0
131.08592	6.6
133.10124	15.3
135.08063	1.8
135.11688	43.5
137.05896	1.7
137.09557	2.8
137.13213	1.8
139.11243	1.7
143.08539	3.1
145.10106	5.6
147.04399	2.6
147.08064	1.4
147.11665	12.0
149.09560	2.7
149.13254	22.5
151.03935	3.8
151.11179	3.3
152.04309	3.4
153.04446	5.4
153.09018	2.1
157.10124	2.0
159.11693	4.9
161.09668	2.5
161.13258	9.7
163.11330	2.5
163.14842	6.3
165.05528	1.3
165.12793	2.1
167.10764	1.7
171.11641	3.5
173.13292	2.8
175.11162	2.7
175.14763	3.4
177.12793	1.5
185.13210	4.3
189.12729	2.2
193.12383	1.3
199.14763	2.6
203.14316	2.0
207.13768	2.3
217.16051	1.6
221.07088	1.2
221.15312	5.4
231.21170	2.3
235.13322	1.6
235.16872	9.6
241.19548	3.9
259.20526	11.0
277.10803	1.8
277.13617	3.0
277.17697	6.4
277.21622	90.3
278.21753	1.7
290.55447	1.3
290.58990	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03939	3.2
55.01866	5.2
55.05508	16.9
57.07061	2.0
65.03924	2.3
67.05502	42.9
69.07063	17.0
69.43424	11.8
69.43837	4.0
71.08630	21.1
75.20842	1.9
79.05489	62.8
81.03407	4.7
81.07052	51.0
83.04968	3.5
83.08614	10.5
85.06548	2.4
89.61173	1.9
91.05478	28.9
93.07041	97.4
93.98135	1.9
95.04958	8.7
95.08607	37.3
97.06541	5.6
97.10172	3.6
99.08099	17.0
105.07024	18.0
107.04944	2.1
107.08593	59.5
109.06489	2.3
109.10153	12.7
113.09643	2.3
117.06982	2.6
119.08565	15.3
120.90137	1.9
121.10146	46.8
123.08098	1.9
123.11680	3.1
129.06964	3.7
129.09077	1.9
130.72328	1.9
131.08556	4.9
133.10109	9.6
135.11687	57.7
137.09612	3.3
141.09001	2.5
143.08569	3.9
145.10110	5.5
147.11673	8.5
149.13220	19.4
151.11185	7.4
159.11684	4.8
161.13274	6.7
163.11261	2.8
163.14891	4.7
173.13362	2.8
175.14845	2.0
177.12831	2.6
179.14336	22.1
185.13205	3.9
195.13773	2.4
207.13792	2.0
213.16350	2.2
221.15398	3.5
231.17670	2.0
235.17099	3.4
241.19536	2.5
259.20581	5.8
277.21637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.79835	1.3
53.03940	5.2
55.05268	1.4
55.05511	15.2
57.07075	3.2
64.08536	1.2
67.05506	32.1
68.91396	1.2
69.07070	15.3
70.34600	3.4
71.04987	2.5
75.29628	1.0
79.05497	69.8
81.06592	2.0
81.07060	33.3
83.04964	1.3
83.08627	6.2
85.06549	1.7
90.95642	1.2
91.05487	26.5
93.07047	100.0
95.04974	9.2
95.08616	23.4
97.06536	1.8
97.10168	3.9
105.07029	12.1
107.08595	48.9
109.06565	2.1
109.10145	11.0
117.07005	4.2
119.08588	9.2
121.10153	38.7
123.11706	2.6
131.08569	3.7
133.10138	11.0
135.10701	2.5
135.11696	45.1
143.08539	1.7
145.10127	2.3
147.11682	7.1
149.13251	18.4
153.08987	1.3
157.10164	2.3
159.11684	2.4
161.13268	2.9
163.14813	5.9
171.11650	3.5
185.13277	1.8
185.93689	1.6
195.96927	1.3
207.13744	2.9
209.15144	1.5
221.15443	2.0
235.16946	5.6
259.20703	2.9
277.21634	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03931	4.5
53.97326	0.9
55.01849	2.8
55.05512	21.8
57.03417	4.4
57.07076	6.0
65.03934	2.3
67.05504	42.6
69.06731	1.5
69.07066	16.1
69.18844	10.5
71.04979	2.2
71.08636	21.4
73.06537	1.2
77.03915	1.0
79.05493	62.9
81.03397	4.3
81.07058	57.3
83.04969	5.0
83.08620	9.6
85.06532	2.5
91.04906	1.6
91.05478	30.8
93.07043	100.0
95.04975	11.3
95.08605	39.4
97.06516	5.5
97.10152	4.6
99.08086	16.7
105.04488	1.1
105.07024	20.7
107.04935	3.5
107.08591	54.7
109.06505	4.4
109.10152	12.1
111.08032	2.4
113.09684	1.4
117.07008	3.9
119.08598	13.1
121.06505	1.2
121.10139	42.7
123.08046	3.6
123.11657	2.7
125.09653	1.8
129.06964	2.4
131.08591	5.7
133.10118	12.9
133.64691	1.1
135.08035	1.1
135.11691	57.1
137.09592	4.1
139.11116	2.0
141.09081	2.5
143.08549	2.5
145.10152	5.6
147.11681	7.6
149.09608	1.9
149.13261	17.1
151.11171	9.5
157.10074	2.4
159.11671	5.4
161.09656	1.1
161.13257	9.7
163.11159	5.8
163.14825	3.8
167.10663	3.0
170.59267	1.1
171.11682	4.3
173.13187	2.0
175.11206	1.7
175.14795	3.3
177.12781	4.2
179.10678	2.9
179.14302	22.1
181.12218	1.9
185.13263	3.4
187.14790	3.0
189.12718	2.1
195.13770	3.1
199.14842	1.3
201.92188	1.1
203.14319	1.5
204.71169	0.9
205.04837	2.1
205.15897	2.0
207.13730	1.0
221.15387	4.6
221.19040	1.3
231.17485	1.7
235.16908	10.2
241.19507	5.8
259.20721	7.3
277.18143	8.7
277.21606	95.7
278.21832	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03943	4.2
55.01628	1.1
55.01872	12.5
55.05513	19.3
57.03429	1.4
57.07077	5.3
58.58801	0.9
58.79927	0.8
65.03936	1.3
67.05508	39.7
69.03410	1.5
69.07068	16.2
70.46961	1.8
71.05001	4.5
71.08636	12.8
73.06563	1.0
79.05494	50.4
81.03413	6.2
81.07059	43.4
83.04977	3.6
83.08625	10.6
85.06532	3.3
91.05483	28.0
91.05937	0.5
93.07047	67.3
95.04981	11.6
95.08609	27.5
97.06527	4.4
97.10172	3.5
99.08102	9.8
102.15420	0.9
103.05413	1.0
105.03393	2.0
105.04527	1.1
105.07039	19.3
107.04958	4.3
107.08595	35.6
108.33017	0.9
109.06490	4.5
109.10161	12.9
111.08089	11.6
111.18204	0.9
113.09588	1.5
117.07044	5.0
119.08578	15.1
120.27449	0.8
121.06491	3.2
121.10143	17.7
121.10941	1.6
123.08085	3.6
123.11693	4.0
125.09636	1.9
129.06999	3.6
131.08572	5.6
133.10139	13.9
135.08038	1.9
135.11693	22.9
135.12714	1.4
137.09616	3.3
137.13260	1.6
139.11145	1.9
141.12776	2.2
143.08533	4.6
145.10132	8.8
147.08083	1.8
147.11691	11.1
149.09641	1.8
149.13249	15.0
151.11232	7.4
153.09105	1.4
157.10103	3.5
159.11713	4.2
161.09619	3.3
161.13286	10.7
163.03891	1.5
163.11195	10.9
163.14809	5.6
165.12744	5.0
166.37605	0.9
167.08542	1.5
167.14351	1.6
169.12228	1.4
171.11736	4.2
173.13350	1.8
175.11212	2.5
175.14809	4.9
177.12785	2.5
178.11998	0.9
179.08525	2.1
179.10713	1.3
179.14342	2.9
181.10197	0.9
181.12155	1.5
185.13297	2.7
187.14809	1.0
189.12781	2.8
191.14258	1.3
192.09366	3.4
193.10265	1.3
193.12201	1.9
195.11868	1.3
195.13837	1.3
199.14832	1.9
202.07767	1.9
203.14343	1.7
205.10207	1.6
207.11708	3.9
207.13818	3.1
209.13385	1.6
213.16467	1.1
217.10094	2.8
217.19563	2.5
219.08131	1.3
219.11781	1.7
220.08926	1.6
221.09694	2.1
221.13416	1.0
221.15431	3.5
231.17664	1.4
231.21100	3.3
233.09505	1.4
234.10297	1.8
234.14119	1.5
235.11215	7.1
235.16998	3.8
241.19510	5.6
247.11188	1.6
249.12704	1.3
249.16446	1.6
249.22087	2.1
259.14902	1.3
259.20575	12.1
262.13422	1.3
263.14197	1.7
266.76205	1.0
277.12259	3.9
277.15863	13.9
277.21637	100.0
278.16571	2.2
278.21896	2.1
282.54108	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49368	0.8
53.03941	2.3
55.01856	2.1
55.05511	8.9
57.07076	47.1
67.05504	13.4
67.27261	0.8
69.03428	1.4
69.07070	5.9
70.06592	0.8
71.08634	1.3
71.53436	1.2
79.05492	27.1
80.05776	0.8
81.07053	17.0
83.01330	1.5
83.08611	3.3
85.06531	1.1
91.05485	11.8
93.07045	40.5
95.04961	2.7
95.08612	12.3
97.06568	1.1
97.10179	1.5
105.03382	1.2
105.04510	1.4
105.07024	8.2
107.04955	1.0
107.08589	19.1
109.06546	1.6
109.10157	6.0
115.05432	1.1
117.07029	2.6
119.08578	6.6
121.10136	18.4
123.04440	3.4
123.08066	1.4
123.11700	1.9
128.06216	1.6
129.07021	2.6
131.04912	1.9
131.08578	3.8
133.10144	5.6
135.04408	3.1
135.11687	16.6
137.05959	2.2
141.07031	1.7
141.54846	1.0
142.07797	3.3
143.08549	1.8
145.06497	1.5
145.10118	2.6
147.04399	2.8
147.08073	1.3
147.11708	3.0
149.05936	0.9
149.13261	8.4
151.03888	1.4
151.11226	1.0
157.10117	4.4
159.04381	1.9
159.08054	2.7
159.11694	2.1
161.09647	2.0
161.13251	2.5
163.07524	1.7
163.11171	1.1
163.14810	1.6
170.07188	1.8
171.04465	1.3
171.11639	1.4
173.13251	1.1
174.45753	0.9
175.03900	2.9
175.14888	1.0
177.05490	1.2
177.12703	1.5
179.10666	28.3
180.11047	0.9
185.09628	4.5
187.03932	2.7
187.07562	2.2
187.14969	1.0
195.07994	1.3
198.06735	3.3
199.03902	3.7
199.14839	1.0
203.10657	1.3
213.09123	2.4
217.15887	2.5
219.13818	5.0
221.15378	1.2
226.06245	2.2
235.16928	100.0
236.17273	2.5
241.08591	17.0
241.19460	1.6
242.09032	1.2
259.20401	1.5
277.06265	15.6
277.17990	89.2
277.21533	27.5
277.28116	7.0
278.18314	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	277.1798
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
53.03938	0.8
55.01871	9.1
55.05510	4.4
57.07061	1.5
65.03928	0.8
66.74629	0.4
67.05501	5.5
69.03423	1.2
69.07072	4.5
71.05011	0.5
71.08621	0.7
76.44544	0.4
78.88631	0.4
79.05497	9.1
81.07058	35.9
83.04977	1.9
83.08616	2.7
85.06504	0.4
89.81660	0.4
91.05480	3.1
93.07037	6.6
95.04986	0.4
95.08610	5.3
97.06531	0.8
99.34933	0.4
105.03388	0.8
105.07037	3.7
107.08594	4.2
109.06518	13.8
109.10157	2.4
109.60648	0.4
111.04441	11.9
111.08064	0.6
113.06071	0.4
115.05443	0.4
117.07027	1.0
119.08581	3.9
120.10877	0.4
121.10143	4.2
123.08059	1.3
123.11704	1.5
125.06010	3.6
131.08577	1.7
133.10124	4.1
135.08029	1.7
135.11696	4.9
137.05980	100.0
137.13271	1.6
138.06325	0.8
139.11201	0.5
142.07848	0.4
143.08578	1.1
145.10100	1.3
147.08041	1.2
147.11691	5.2
148.11992	0.4
149.09607	3.1
149.13260	1.6
151.07556	2.5
151.11208	0.9
157.10135	1.6
159.11736	1.2
160.08896	0.7
161.09618	4.7
161.13269	2.1
163.11160	2.8
163.14810	0.7
165.09161	2.2
167.10680	0.6
171.11711	1.1
173.13219	0.6
175.11198	3.3
175.14856	0.8
177.12688	0.5
179.10703	1.7
181.12234	0.6
185.13173	0.5
189.12741	1.1
193.12291	1.1
203.17995	4.1
203.90892	0.4
205.19527	0.8
213.16446	1.8
221.19077	1.3
231.17464	6.8
235.17072	0.9
241.16028	0.8
249.18507	3.3
259.20560	0.5
277.18015	6.5
277.21524	3.4
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	277.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01872	10.2
55.05304	0.7
55.05514	7.8
57.07079	4.3
57.83640	0.8
58.07397	1.3
65.03932	0.9
67.05506	9.4
69.03438	1.3
69.07064	5.0
70.06594	3.8
70.46982	2.1
70.47350	1.0
71.05002	1.4
71.06933	1.3
72.08958	0.8
79.05493	11.8
81.07058	39.1
83.04992	2.7
83.08635	1.7
85.06565	0.8
88.07635	2.6
89.07957	1.5
91.05479	5.9
93.07038	10.7
95.04985	2.3
95.08611	8.5
97.06537	1.8
103.09512	0.9
105.03376	5.7
105.07020	5.5
107.08575	7.4
109.06518	15.1
109.10136	4.0
111.04447	11.6
111.08109	1.1
115.05486	0.7
117.07021	2.1
119.04970	1.0
119.08589	4.8
121.10162	7.7
123.08110	1.7
123.11697	2.1
125.05984	4.1
125.09590	0.9
129.07024	0.9
131.08554	2.1
133.10110	5.4
135.08073	2.5
135.11708	7.8
137.05977	100.0
137.13248	2.0
143.08565	1.7
145.10118	1.9
147.04411	1.2
147.08063	1.3
147.11690	6.0
149.09616	3.1
149.13271	2.7
151.07526	2.8
151.11211	1.3
157.10149	1.8
159.11700	1.2
161.09621	4.9
161.13260	2.1
163.11154	3.1
163.14836	1.4
165.09184	1.6
165.12741	1.0
168.96393	0.7
171.11739	1.0
173.13313	0.9
175.11137	3.8
175.14888	1.2
177.05627	0.9
179.08566	1.4
179.10649	2.1
183.20840	0.7
185.13252	0.9
189.12845	1.1
193.12193	1.5
203.17973	5.0
205.04930	1.4
206.10873	1.1
207.08113	0.8
207.13779	0.9
213.16385	2.9
216.75940	0.7
218.10869	0.8
219.07993	1.1
221.13271	1.0
221.18942	1.3
223.07732	0.9
231.17459	7.4
234.10419	1.7
235.07538	2.5
235.16974	2.8
241.15863	2.0
247.07611	1.9
249.12804	1.3
249.18497	3.3
257.26614	0.9
259.20612	1.5
259.27252	2.2
262.09882	3.3
277.09335	0.7
277.12296	13.9
277.17999	8.6
277.21597	9.3
277.28302	40.7
278.12628	1.0
295.19070	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1336
Annotation	9-Methoxyellipticine
Peak:m/z	Relative Intensity
50.01588	0.3
51.02380	0.5
52.31418	0.2
53.03950	4.3
55.01879	0.5
55.05512	0.9
56.96562	0.4
57.07074	0.9
64.53069	0.3
67.05505	1.4
69.03446	0.4
69.07055	1.4
69.61786	1.7
71.04988	0.6
71.08619	0.3
77.03932	1.1
79.05495	2.2
81.03416	0.9
81.07058	2.3
83.04983	0.3
83.08601	0.5
84.36577	0.2
85.06536	0.6
91.05492	1.7
93.07056	2.3
95.04971	7.3
95.08614	1.9
97.06514	0.3
105.03393	100.0
105.07047	1.2
106.03716	1.5
107.04950	0.4
107.08577	1.4
109.06579	0.4
109.10160	0.9
113.06033	0.4
117.06989	0.5
118.06544	16.8
119.08567	0.6
121.06499	0.3
121.10180	1.4
123.08118	0.3
127.31799	0.3
130.06500	0.6
130.12283	0.5
131.08546	0.7
133.10126	0.8
135.04408	0.3
135.11714	1.4
143.08597	0.3
147.08018	0.3
147.11702	0.4
148.07590	0.7
149.02379	0.6
149.13234	0.8
151.07512	0.3
160.07600	0.6
163.03842	0.4
171.09183	0.5
172.09970	4.2
185.13187	0.4
190.08182	0.6
199.14809	0.3
205.08798	0.3
217.08516	0.3
220.11159	2.6
222.94012	0.3
233.10101	0.7
234.09174	1.0
235.16943	0.9
236.10762	1.1
265.67325	0.2
277.08914	1.5
277.13373	22.0
277.18265	1.2
277.21658	3.1
277.24603	0.4
278.13660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1336
Annotation	9-Methoxyellipticine
Peak:m/z	Relative Intensity
50.01599	0.3
51.02386	0.6
53.03951	3.7
55.01875	0.6
55.05515	0.8
57.07066	0.6
57.69982	0.2
59.05700	0.2
67.05516	1.1
69.03429	0.3
69.07072	0.8
70.06592	0.4
71.04970	0.2
77.03941	0.8
79.05485	0.9
81.03420	0.5
81.07062	1.7
83.08611	0.3
91.05478	1.0
93.07040	1.4
95.04974	7.2
95.08616	1.6
103.05468	0.2
105.03394	100.0
105.07035	0.8
106.03726	0.9
107.04996	0.3
107.08595	1.0
109.06524	0.3
109.10143	1.0
111.08141	0.3
118.06546	15.6
119.06881	0.2
119.08582	0.6
121.10123	1.1
123.08029	0.3
123.11723	0.3
125.09607	0.2
129.06993	0.2
130.06537	0.6
131.08598	0.4
133.06467	0.4
133.10144	0.8
135.04446	0.3
135.08025	0.2
135.11690	0.5
143.08582	0.2
145.10127	0.5
146.06032	0.4
147.04422	0.3
147.11661	0.3
149.13237	0.6
157.10130	0.4
159.11722	0.3
160.07608	0.8
161.09642	0.3
161.13242	0.3
163.07526	0.3
163.14897	0.3
171.09164	0.5
172.09970	3.9
173.13240	0.3
175.03981	0.3
175.14828	0.2
178.04962	0.3
179.10704	0.3
181.04965	0.3
199.14906	0.4
217.08731	0.4
218.09621	0.4
220.11166	2.8
234.06909	0.4
234.09196	0.8
235.16994	0.6
236.10718	1.0
241.19557	0.4
246.09175	0.4
259.09708	0.2
259.20322	0.3
277.13367	23.8
277.18164	0.8
277.21680	1.2
277.25369	0.6
278.13724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1071
Annotation	Hamaudol
Peak:m/z	Relative Intensity
52.74118	0.3
52.99015	0.2
53.03912	0.5
55.01871	0.3
55.05497	0.8
56.96556	0.4
57.07071	0.5
60.39169	0.3
65.03930	0.7
67.05511	3.6
69.07070	0.6
70.33231	1.0
79.05502	2.0
81.07049	1.9
83.08608	0.3
85.06532	0.8
91.05499	2.0
93.07047	1.8
95.04966	0.4
95.08618	1.4
103.05454	0.6
105.03382	0.4
105.07030	0.6
106.04141	0.5
107.04906	0.3
107.08597	1.0
109.02942	0.3
109.10159	0.9
119.04938	0.3
119.08519	0.4
121.02863	0.5
121.06522	1.8
121.10150	0.6
129.34055	0.3
131.00211	0.6
133.10133	0.8
134.03615	0.5
135.11687	0.6
137.05994	0.3
137.68808	0.3
143.69891	0.3
145.02841	0.6
147.03104	0.4
149.01201	0.8
149.05986	5.2
149.13248	0.4
156.03630	0.8
159.11789	0.3
161.05969	0.5
162.03139	2.1
167.54527	0.3
177.05472	15.2
189.05507	1.5
193.04958	6.5
202.02634	0.4
205.04971	100.0
206.05318	1.0
217.05038	1.6
217.08623	0.5
229.04889	0.5
231.06392	0.4
235.16956	0.5
244.07452	0.3
259.09671	4.3
277.07904	0.5
277.10794	6.8
277.13812	1.4
277.17947	0.8
277.21439	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03950	1.1
55.01863	1.7
55.05513	11.2
57.03424	1.9
57.07060	1.8
59.04998	0.7
64.91795	0.7
67.05505	14.8
69.03425	0.7
69.07070	10.7
70.02115	3.0
70.06572	0.8
71.04984	1.5
71.08617	0.7
72.28757	0.7
72.77712	0.6
74.68346	0.7
79.05495	14.5
81.07062	18.4
83.04964	1.6
83.08619	6.3
85.06526	2.0
88.07643	1.5
91.05481	33.0
91.43227	0.5
93.07049	14.1
95.04958	2.5
95.08607	13.0
96.09012	0.7
97.06548	1.3
97.10151	2.0
101.00588	1.8
103.05452	1.2
105.07032	47.9
106.07366	0.8
106.08689	1.1
107.04980	3.5
107.08595	13.1
109.06505	2.2
109.10152	7.8
111.08071	1.1
115.05412	1.0
117.07005	7.5
119.08587	29.2
121.06490	1.5
121.10137	5.7
123.08083	1.0
123.11719	3.3
125.09615	0.8
129.07040	2.5
131.08565	12.0
131.37183	0.7
132.09225	0.6
133.06438	0.8
133.10127	30.8
135.04378	0.8
135.08069	1.6
135.11676	3.5
137.09607	1.5
137.13271	1.4
143.08562	2.3
144.08063	3.1
145.06525	0.6
145.10133	12.5
147.08047	0.8
147.11688	27.2
148.12073	0.7
149.09621	3.7
149.13239	2.2
151.03932	4.7
151.11098	1.0
153.09123	0.7
155.08540	1.5
157.10130	2.6
159.11707	10.6
160.12454	0.8
161.09557	1.1
161.13258	6.4
163.11183	2.4
163.14807	1.3
169.10083	1.5
171.11688	2.6
173.09619	0.7
173.13249	4.6
175.04007	1.4
175.11128	1.0
177.12785	1.6
183.11679	2.1
185.13268	4.3
187.11232	0.8
191.03419	2.9
197.13252	1.7
201.12891	0.7
201.16451	0.6
203.14339	3.9
211.14738	0.9
215.14420	0.7
219.06505	0.8
219.13774	1.0
219.17419	1.1
229.15875	0.7
229.19534	2.0
239.17928	5.1
247.20683	0.8
249.65710	0.7
257.08167	0.9
257.18958	8.7
275.09036	2.5
275.20071	100.0
275.27579	7.1
276.20438	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03940	1.1
55.01872	3.7
55.05514	11.6
55.76371	0.7
57.07072	1.5
62.40789	0.7
65.03925	1.5
67.05505	16.6
69.06733	0.8
69.07072	11.3
70.15322	0.6
70.65364	1.9
71.04974	2.5
72.93039	0.6
76.87064	0.6
79.05497	17.3
81.03429	1.1
81.07059	18.1
83.04967	2.4
83.08620	5.1
85.06541	1.7
91.05482	33.7
93.07047	17.9
95.04980	3.8
95.08617	12.0
97.06522	2.7
97.10147	2.8
99.08119	0.7
103.05463	1.7
104.06205	0.6
105.07034	54.8
107.04945	3.1
107.07890	1.0
107.08589	15.7
109.06532	3.3
109.10186	6.2
109.84225	0.7
111.08056	0.8
115.05479	1.2
117.07030	9.9
119.08587	32.8
121.06521	3.2
121.10132	7.0
123.08050	1.3
123.11688	1.4
125.09634	1.7
129.06984	2.3
130.07809	0.9
131.08578	13.3
132.09279	1.2
133.06503	1.0
133.10135	30.3
135.08043	3.1
135.11656	3.2
137.09575	1.5
141.07008	1.1
143.08559	3.0
145.06381	0.9
145.10129	14.2
147.08020	1.6
147.11685	22.2
147.12814	1.4
149.09625	6.9
149.13295	1.4
151.03865	4.7
151.11154	1.4
155.08530	2.0
157.10117	3.1
159.11699	9.1
161.09650	1.7
161.13254	5.4
163.11169	3.0
165.09093	1.2
169.10127	1.9
171.11725	3.0
173.13254	4.7
174.10202	0.6
175.11249	1.2
175.14885	1.1
177.12714	1.2
183.11682	2.1
187.11201	0.9
190.42294	0.9
193.12207	1.0
197.13232	1.5
199.14868	1.2
201.16422	0.8
213.16360	1.1
215.17871	1.2
217.15825	0.8
229.19547	2.2
233.15428	1.9
233.19145	1.2
239.17989	3.1
247.20583	2.3
257.19022	8.7
269.30710	0.7
274.36099	0.6
275.20068	100.0
276.20343	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	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.02371	1.0
51.85588	0.7
53.03936	1.8
55.01858	2.2
55.05271	0.9
55.05511	11.7
57.03433	1.1
57.07067	0.8
65.03940	1.4
67.05509	21.1
69.07072	11.6
71.04993	2.4
73.06578	0.9
74.76202	0.8
76.21047	0.7
78.28908	0.7
79.05495	20.1
81.07061	22.1
83.04964	1.9
83.08630	6.2
85.06551	1.8
91.05483	39.5
93.07046	22.0
95.04984	5.0
95.08608	15.9
97.06522	3.5
97.10155	2.8
98.21501	2.1
103.05443	1.1
105.07032	55.7
106.07384	1.1
107.04946	4.9
107.08601	15.0
109.05334	0.7
109.06537	4.7
109.10152	6.1
111.08062	1.6
115.05455	1.5
117.07027	9.0
119.08587	29.9
121.06508	3.1
121.10122	7.9
123.08069	3.3
123.11697	2.7
125.09618	1.7
129.06998	2.6
131.08554	12.8
133.06479	1.7
133.10135	34.9
135.08029	3.6
135.11714	4.3
137.09578	2.9
139.11128	1.2
143.08571	3.3
145.10118	13.6
147.08035	1.6
147.11691	20.8
148.79468	0.7
149.09631	6.7
149.13254	2.3
151.03906	3.1
151.11200	3.0
155.08565	1.8
157.10144	2.8
159.11688	8.8
161.09610	2.0
161.13260	5.4
163.11145	5.6
163.14876	1.2
165.12778	1.8
169.10147	2.1
171.11696	2.3
173.13255	3.9
175.11148	2.0
177.12708	1.4
183.11734	2.1
185.13330	1.2
187.11194	1.5
187.14845	1.2
191.14308	1.4
197.13274	2.6
215.14337	0.9
229.15808	1.4
229.19580	3.5
233.15521	1.2
233.19003	1.5
239.17999	6.2
247.20601	2.0
248.76134	0.8
257.19000	10.6
261.41864	0.7
275.20065	100.0
276.20401	3.0
280.77008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03942	2.5
55.01870	2.8
55.05516	23.4
56.15352	1.6
57.07076	11.6
59.04996	2.4
67.05507	29.0
69.03439	7.8
69.06731	2.2
69.07069	29.4
70.06583	1.9
70.66336	4.7
71.04972	3.4
71.08618	3.2
74.02431	1.7
77.03916	1.6
77.45616	1.5
79.03957	1.7
79.05493	47.4
81.07056	48.4
83.04978	14.7
83.08619	12.0
85.06542	36.7
91.05467	18.8
93.07049	34.2
95.04955	6.6
95.08605	57.2
97.06508	3.0
97.10170	6.2
99.08087	15.8
105.07030	21.4
106.06482	1.6
107.04952	15.1
107.08588	37.4
109.06512	6.4
109.10156	47.7
111.08083	3.4
111.11707	3.6
113.09636	3.3
115.05421	2.3
117.06997	4.7
118.06557	3.5
119.08575	23.8
121.06483	6.5
121.10137	48.0
122.07295	18.1
123.08071	3.3
123.11691	14.6
125.05931	1.7
125.09628	7.2
128.06192	1.9
129.07005	3.6
130.06528	6.1
130.08727	2.1
131.08559	12.0
132.08049	3.2
133.06522	1.9
133.10126	21.4
135.08064	10.4
135.11693	23.6
137.09613	100.0
137.13231	7.3
139.11174	5.9
143.08582	4.5
144.08173	1.9
144.09326	2.2
145.06487	2.8
145.10123	15.3
146.06020	10.1
147.04404	3.2
147.08012	3.1
147.11684	7.3
149.09621	11.5
149.13258	17.0
151.03918	16.4
151.11101	2.5
151.14774	3.9
154.06572	2.7
155.07179	1.7
155.08463	2.8
157.10127	7.2
158.06029	4.4
158.08453	3.0
158.09656	4.3
158.10843	3.9
159.08067	4.7
159.11719	11.9
160.07510	2.6
160.11217	3.9
161.09604	8.3
161.13231	3.2
163.07549	2.8
163.11235	13.4
163.14807	12.9
167.07326	3.0
167.10608	1.9
169.07652	3.7
169.08905	2.7
171.09163	2.7
171.11668	5.5
173.09631	3.6
173.13283	19.9
175.03905	6.2
175.11217	3.7
175.14838	2.1
177.12750	3.7
177.16434	3.8
182.08417	2.1
183.09236	2.2
183.11725	2.7
184.11185	8.6
186.07768	2.7
186.09215	3.7
187.11174	5.8
187.14763	3.8
188.10674	4.1
189.12808	1.9
191.03339	2.0
191.14310	16.2
191.17920	3.2
196.11256	4.4
197.13280	3.9
199.14862	4.8
201.12621	9.4
205.19518	2.2
211.12259	2.5
212.10684	6.2
213.13885	9.9
213.15997	1.4
215.10687	2.6
215.14340	7.6
215.17815	2.4
217.15837	12.8
219.13795	14.1
219.21077	2.3
229.13368	16.8
229.19580	2.9
231.14934	2.1
243.01347	2.1
257.12949	9.2
257.18945	12.4
257.22388	1.5
275.08942	6.9
275.13846	17.6
275.16602	6.8
275.20065	69.3
275.23199	3.6
275.27261	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	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03942	3.4
55.01870	2.7
55.05505	15.7
57.07083	8.0
59.04986	4.6
63.55392	1.3
67.05501	23.6
69.03432	9.9
69.07076	14.4
71.04982	3.5
71.53486	2.6
77.41491	1.2
79.05487	37.1
81.03419	2.0
81.06641	2.1
81.07059	20.1
83.04971	18.9
83.08610	6.9
84.87897	1.5
85.06543	42.5
91.05473	19.0
93.07034	22.0
95.04953	7.1
95.08605	21.0
97.06519	4.6
97.10163	1.5
99.08079	14.9
103.05458	2.3
105.03355	2.6
105.07030	24.6
107.04942	14.5
107.08588	27.2
109.06493	7.2
109.10151	24.4
111.08060	3.7
113.09639	2.0
115.07589	1.5
117.07028	6.0
119.04930	2.2
119.08575	33.2
121.06502	7.4
121.10144	38.5
122.07273	15.3
123.08080	4.9
123.11703	5.4
125.05956	1.4
125.09609	9.8
128.06198	1.7
129.07005	4.5
131.04910	3.7
131.08580	14.7
133.06480	3.0
133.10117	19.2
135.04431	4.1
135.08058	7.9
135.11700	16.0
137.09613	81.0
139.11179	7.4
141.06995	2.2
142.07764	1.8
143.08549	5.4
145.06528	1.7
145.09082	1.8
145.10126	20.2
147.04390	7.6
147.08023	3.7
147.11702	8.9
149.09607	19.3
149.13289	3.0
151.03923	8.2
151.11096	4.0
152.04277	1.5
153.04430	2.0
155.08490	2.7
157.10100	5.4
158.10905	4.2
159.04445	2.6
159.08014	5.3
159.11690	16.5
161.09648	9.7
161.13261	2.7
163.07487	2.1
163.11169	13.0
163.14824	7.6
169.10014	2.6
171.11687	6.1
173.09631	5.1
173.13249	30.5
175.02470	2.8
175.03905	22.7
175.11133	5.1
175.14842	6.6
177.05600	1.6
177.12721	5.2
183.11696	3.9
187.03865	5.1
187.11186	3.7
187.14806	13.4
189.01836	3.4
189.12726	2.1
191.03430	8.6
191.14319	17.5
197.13295	3.1
199.14772	7.2
201.12735	9.6
203.14381	2.9
205.12280	1.8
205.15973	1.8
213.05473	3.0
215.14377	10.4
215.17856	3.7
217.15927	11.2
219.13786	14.0
229.08667	3.6
229.19530	5.8
232.05566	4.6
239.18010	2.5
245.08072	2.8
257.08093	2.6
257.19028	17.2
258.07690	4.2
260.05182	2.3
275.06998	17.5
275.09503	4.2
275.16751	5.4
275.20047	100.0
275.27155	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	Dicranin
Peak:m/z	Relative Intensity
53.03938	2.2
55.01863	3.4
55.05513	14.2
57.03430	4.3
57.07080	1.2
65.03915	1.6
67.05502	24.1
69.03403	1.2
69.07068	11.2
70.07351	1.6
70.07774	3.1
71.04982	2.3
79.05070	1.7
79.05495	24.1
81.03424	1.4
81.07052	28.8
81.96875	1.1
83.04970	3.3
83.08619	6.4
85.06528	2.5
86.32153	1.0
91.04904	2.3
91.05479	41.9
93.07040	23.8
95.04963	4.5
95.08055	1.5
95.08612	16.0
97.06530	2.9
97.10143	1.3
103.05439	1.7
105.07030	54.9
107.04932	5.7
107.08588	16.1
109.06516	7.4
109.10150	6.4
111.08074	2.2
117.07035	9.8
119.08581	35.8
121.06505	3.5
121.10137	9.8
123.08072	6.2
123.11694	1.1
125.09653	1.4
129.06973	3.0
131.08572	15.3
133.10130	44.7
135.08051	9.3
135.11679	4.4
137.09593	4.4
141.07004	1.2
143.08553	2.4
145.10114	12.7
147.08049	1.4
147.11694	19.6
149.09627	6.8
149.13298	1.4
151.11154	2.1
155.08481	1.2
157.10147	3.2
159.11670	7.3
161.09579	1.9
161.13274	5.2
163.11200	5.1
165.04460	1.5
169.10155	2.3
173.13261	5.8
175.11137	2.3
175.14778	1.9
177.12772	2.5
183.11668	2.4
185.13185	2.9
187.11127	1.9
187.14873	1.5
189.12791	1.6
197.13292	1.9
201.12788	1.2
203.14291	1.6
205.12067	1.2
211.14746	1.0
215.18001	2.0
219.13739	1.2
229.19582	2.5
233.15407	1.3
239.18010	5.3
247.20590	3.5
257.19025	11.4
275.15311	2.9
275.20062	100.0
275.27707	3.7
276.20410	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01882	1.6
55.05516	11.2
57.03441	5.2
57.07093	1.9
58.07403	1.1
66.92314	0.9
67.05195	1.0
67.05511	14.6
69.07072	8.7
70.06601	5.5
70.31424	3.3
71.04992	1.7
71.08616	1.1
79.05498	12.3
79.69642	0.9
81.07057	14.1
83.08616	5.1
85.06532	1.9
88.07619	3.8
89.07964	1.0
91.05483	37.9
93.07041	14.8
95.04958	2.0
95.08616	10.1
97.06541	1.6
97.10192	1.3
103.05434	2.3
105.07036	49.6
106.07336	1.4
106.08633	2.3
107.08582	8.1
109.06513	2.5
109.10174	5.0
111.68439	0.9
117.07031	10.7
119.08584	37.3
121.06478	1.4
121.10144	3.3
123.11720	1.2
128.06178	1.1
129.07019	3.5
131.08585	11.1
133.10133	22.3
135.08015	1.4
135.11690	2.0
143.08543	3.2
145.10126	12.3
147.11685	25.4
149.09613	3.5
155.08531	1.2
157.10124	3.1
159.11711	13.8
161.13272	10.9
163.11186	2.6
171.11732	2.1
173.13255	5.5
175.14850	1.3
183.11742	3.0
185.13283	6.1
187.11058	1.3
189.12668	1.1
197.13188	2.1
201.12823	1.2
201.16373	2.3
203.14354	6.3
219.17422	2.3
239.17906	4.1
253.36365	1.0
257.19046	8.2
257.26605	2.3
275.20074	100.0
275.27753	41.3
276.20432	3.3
284.25296	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03936	0.9
55.01860	2.1
55.05510	12.0
57.03436	4.9
63.82975	0.8
67.05181	1.3
67.05505	17.9
68.71058	0.8
69.07075	9.1
70.96432	1.0
70.96770	1.9
71.04976	3.3
75.11367	0.9
76.88137	0.9
79.05494	22.1
81.03412	1.0
81.07056	25.7
83.04967	2.5
83.08610	3.6
85.06551	1.3
91.05480	32.3
93.07051	18.4
95.04958	4.1
95.08607	12.3
97.06509	2.9
97.10148	1.7
103.05426	1.8
105.07034	45.4
107.04952	6.6
107.08591	11.9
109.06519	6.0
109.10154	5.0
111.08079	2.0
116.06187	0.8
117.07016	7.8
119.08588	29.5
121.06503	3.0
121.10122	7.9
123.08080	5.6
123.11689	2.1
125.09678	1.1
129.06995	3.0
131.08566	12.6
133.06505	1.0
133.10132	27.8
135.08073	5.6
135.11670	3.9
137.06070	0.9
137.09599	3.2
137.13239	1.1
143.08553	2.7
145.10123	11.5
147.08063	1.5
147.11681	15.9
149.09628	7.4
149.13223	1.0
151.11125	0.9
155.08559	1.7
157.10112	2.3
159.11699	7.3
161.09592	2.3
161.13252	3.1
163.11194	4.2
165.12869	1.0
169.10110	1.5
171.11699	3.5
173.09671	1.2
173.13330	5.9
175.11172	2.3
175.14853	1.2
177.12715	2.5
183.11826	1.8
185.13237	3.3
187.14818	1.5
189.12717	1.9
191.14290	1.5
197.13309	1.8
201.12709	1.8
203.14363	3.4
215.14386	0.9
215.17978	1.0
219.06479	1.4
219.17409	1.3
229.19572	1.4
239.17989	5.4
247.20668	3.5
257.19034	10.7
275.20071	100.0
275.27887	2.9
276.20480	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	275.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01870	3.6
55.05510	18.2
57.03437	2.7
57.07069	3.1
58.31629	1.0
59.05007	0.9
65.03917	1.1
67.05505	23.6
69.03419	2.0
69.07067	18.6
70.05469	1.7
70.05862	2.0
71.04995	3.0
71.08646	1.2
71.61259	0.7
77.03924	1.2
79.05494	27.9
81.07060	34.0
82.31840	0.9
83.04984	4.1
83.08623	8.1
84.08112	0.8
85.02856	0.9
85.06572	1.8
91.05482	40.1
93.07047	27.3
95.04980	6.4
95.08609	24.4
95.09180	1.8
97.06544	5.0
97.10178	3.9
105.07033	59.7
107.04340	1.2
107.04938	6.2
107.08591	21.4
107.09302	1.4
109.06522	4.7
109.10155	12.0
111.08083	1.3
115.05489	1.1
117.07015	11.0
119.04965	1.3
119.08585	34.9
121.06499	4.6
121.10146	14.4
123.08076	3.2
123.11691	6.9
125.09628	1.7
129.07016	3.4
131.08563	15.0
133.06512	2.8
133.10136	38.8
135.08037	5.0
135.11690	6.2
137.09659	2.9
137.13272	2.1
139.15756	1.0
141.07025	1.8
143.08598	2.5
145.10130	16.3
147.08035	2.0
147.11690	26.7
149.08612	1.1
149.09599	6.0
149.13246	6.7
151.03902	40.8
151.11220	2.9
152.04239	1.5
155.08568	2.2
157.10121	3.6
159.11691	9.7
161.09642	2.9
161.13249	5.9
163.11174	5.4
163.14847	3.4
165.05521	3.7
165.12804	2.1
167.10889	0.9
169.10175	2.6
171.11732	2.7
173.13200	5.7
175.03918	1.7
175.11212	1.4
177.12775	1.2
179.07045	1.1
179.14255	1.0
183.11705	1.8
187.14919	1.2
189.12766	1.5
191.14325	1.9
193.08636	1.8
197.13287	4.3
201.16411	1.7
203.03404	1.4
211.14853	1.3
215.10751	1.9
215.14253	1.0
215.18047	1.2
229.15894	1.2
229.19582	3.5
239.17987	6.2
243.06538	0.9
245.04445	18.2
247.20740	2.5
257.18982	14.2
260.06818	4.6
275.05872	1.5
275.09210	29.6
275.16577	18.2
275.20157	100.0
275.27454	5.1
276.09558	2.0
276.20377	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03930	1.8
55.01857	3.9
55.05511	10.0
57.03427	1.8
57.07073	1.9
66.61817	1.0
67.05510	17.0
69.03435	1.4
69.07065	12.1
69.32895	2.7
69.33316	6.7
70.06584	0.9
71.04985	1.8
73.01790	0.9
76.60616	0.8
79.05504	15.3
81.03417	3.9
81.06589	1.8
81.07057	27.1
83.04971	5.5
83.08611	5.4
83.16215	1.2
85.06577	1.4
86.08356	1.1
91.04915	1.3
91.05486	21.5
93.06483	1.7
93.07045	24.3
95.04948	5.2
95.08061	1.7
95.08611	21.8
97.06541	5.6
105.03415	1.1
105.04723	1.0
105.07033	33.1
107.04949	4.0
107.08603	19.7
109.06527	6.6
109.10161	16.7
111.04443	1.6
111.08074	1.2
117.06981	6.2
119.08585	21.6
121.06511	6.6
121.10156	14.1
123.08047	3.2
123.11705	7.6
125.06060	1.7
129.07010	2.1
131.08574	14.0
133.06549	1.5
133.10130	20.0
135.08040	4.1
135.11702	8.4
137.09685	1.7
141.06970	1.5
143.08533	4.3
145.06526	1.7
145.10110	15.6
147.08038	2.8
147.11694	14.3
149.09641	4.5
149.13249	3.2
151.03900	2.5
151.11212	1.6
153.09209	1.4
157.10153	5.2
159.08112	1.8
159.10443	1.5
159.11699	12.8
161.09604	2.1
161.13287	6.8
163.11206	3.4
163.14813	1.4
165.09096	1.7
167.10657	1.4
169.10112	1.8
171.11679	3.3
173.09621	1.8
173.13281	7.0
175.11215	2.3
175.14836	3.3
177.12752	1.7
179.10605	1.9
183.11652	2.1
185.13313	1.4
187.11227	2.8
187.14841	1.4
189.12688	1.3
191.10674	1.0
191.14331	1.3
192.09357	1.4
193.10272	1.9
193.12222	3.9
197.13292	1.2
199.14775	1.2
201.12743	3.4
205.12271	4.3
207.11833	1.2
207.13794	2.3
211.14835	1.1
213.16432	1.8
215.14479	1.5
215.17960	16.7
219.13800	6.8
229.19504	5.9
239.17920	3.7
247.20531	1.4
257.19009	16.2
275.14020	2.8
275.20068	100.0
275.27780	3.4
276.20325	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03946	2.5
53.66842	0.7
55.01873	13.0
55.05238	1.1
55.05507	18.2
56.89252	0.6
57.03422	1.3
57.07069	1.3
59.04977	0.9
65.03929	1.4
67.05503	22.7
69.03423	1.3
69.07066	16.0
71.04993	1.7
72.27923	0.6
79.05490	25.6
81.03413	2.4
81.07053	43.7
83.04979	3.7
83.08619	5.9
85.06543	1.7
91.05479	57.8
91.18821	0.6
93.07039	24.9
95.01323	1.6
95.04958	5.8
95.08604	17.1
97.06522	19.3
97.10173	2.9
99.08148	0.7
103.05468	2.3
105.07027	100.0
106.07366	1.3
107.04954	7.3
107.08587	13.9
109.06513	5.2
109.10149	7.0
111.08099	3.3
115.05440	1.4
117.07011	13.8
119.08577	43.7
121.06519	2.8
121.10155	7.1
123.04412	1.1
123.08071	3.2
123.11712	2.0
125.09638	2.1
128.06261	1.0
129.07014	1.7
131.08565	22.0
132.09357	0.9
133.06494	0.9
133.10123	54.1
135.08052	3.5
135.11697	4.8
137.09618	2.9
141.06952	0.9
142.91582	0.6
143.08554	3.3
145.06422	1.0
145.09053	1.2
145.10124	15.3
146.10902	1.4
147.08031	0.8
147.10507	1.1
147.11682	22.0
149.09639	4.9
149.13269	1.8
151.03943	0.7
151.11186	2.6
155.08594	1.0
157.10132	2.3
159.11691	8.0
161.09624	1.2
161.13217	4.5
163.11182	2.7
165.09108	2.1
167.00703	0.7
169.10144	1.1
171.11702	3.0
173.09663	0.9
173.13235	3.0
175.03963	0.8
175.11194	1.4
175.14853	1.2
177.12759	1.7
179.14320	1.7
183.11708	2.0
185.13225	1.5
187.14790	0.9
193.12202	1.2
197.13274	2.5
201.12761	1.0
203.14296	0.9
213.16302	0.7
215.17784	0.8
219.17400	2.7
229.19551	1.5
233.15379	1.2
238.87370	0.7
239.18011	2.3
247.16905	1.1
247.20581	3.7
257.18927	8.3
275.20050	96.5
275.27774	1.8
276.20425	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03940	1.5
55.01874	1.7
55.05265	0.9
55.05512	10.7
57.03437	3.8
57.07068	1.3
67.05505	12.3
69.07067	9.3
70.06582	2.2
71.05000	1.3
71.08619	0.8
71.18349	1.7
73.85194	0.6
77.89960	0.6
79.05489	13.8
81.07054	11.7
83.04968	1.0
83.08624	5.6
85.06527	2.0
88.07623	3.2
89.07937	1.2
91.05479	33.7
93.07041	13.7
95.04964	1.8
95.08604	9.9
97.06531	1.6
97.10195	1.1
99.08070	0.7
102.09164	1.2
103.05475	1.0
105.07029	47.0
105.82361	0.8
106.08684	1.9
107.04950	1.7
107.08563	8.2
109.06514	2.4
109.10139	2.8
111.08088	1.3
117.07009	9.1
119.08575	35.8
120.08941	0.7
121.06464	1.3
121.10130	4.6
123.11723	0.7
129.06985	3.8
131.08575	11.9
133.10130	26.9
135.08075	2.1
135.11705	2.2
141.06989	1.4
143.08585	2.7
144.09390	0.7
145.10120	12.9
146.10893	0.7
147.08067	0.8
147.11678	25.7
149.09627	3.6
149.13225	1.2
155.83154	0.6
157.10124	5.1
159.10463	1.1
159.11688	13.8
161.09628	0.9
161.13264	10.0
163.11195	2.0
169.10109	1.1
171.11642	1.9
173.13264	4.5
175.14835	1.8
177.12703	1.1
183.11768	3.2
185.13240	7.7
197.13272	1.6
201.12842	1.0
201.16406	1.4
203.14284	4.6
211.14764	1.0
215.17917	0.8
219.13768	0.7
219.17496	2.4
229.19502	1.7
239.17981	5.8
247.20540	0.8
257.19006	8.8
257.26697	2.5
260.51364	0.8
275.20059	100.0
275.27750	31.5
276.20447	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03934	2.2
55.01870	3.4
55.05511	15.0
57.03421	3.0
57.07047	1.9
59.04982	1.0
65.03940	1.3
65.58124	0.6
67.05506	19.6
69.03431	3.7
69.06729	1.1
69.07068	13.0
69.47057	5.1
70.90103	0.7
71.04975	3.2
73.02898	1.5
79.05494	19.2
81.03403	1.6
81.07058	27.2
83.04975	5.1
83.08610	5.1
85.02930	0.8
85.06537	1.7
91.05482	37.4
93.07039	17.8
94.63030	0.6
95.04968	5.5
95.08607	15.2
97.06535	3.3
97.10172	1.6
99.08073	0.9
102.39809	0.6
103.05450	1.6
105.07033	48.7
107.04956	4.4
107.08594	13.9
109.06526	6.3
109.10158	8.1
111.04389	0.9
111.08059	1.1
113.05997	3.7
115.05443	1.1
117.07014	8.5
119.08582	35.9
120.08886	0.9
121.06510	3.5
121.10145	7.9
123.04446	0.7
123.08065	2.9
123.11701	3.1
125.09635	1.2
128.06189	0.8
129.07016	2.7
131.04932	0.8
131.08571	15.1
133.06485	2.1
133.10133	32.4
135.08070	3.4
135.11699	4.2
136.20659	0.7
137.09618	2.9
141.06964	1.1
143.08560	3.5
145.10117	14.5
145.11166	1.3
147.08055	1.8
147.11690	20.9
149.09615	5.8
149.13254	2.7
151.03917	21.1
151.11195	2.1
155.08534	1.6
157.10179	3.4
159.08073	1.6
159.11685	10.9
161.09650	3.2
161.13277	7.6
163.11148	3.1
165.05452	1.8
165.09097	0.9
165.12756	0.8
169.10136	2.9
171.11726	2.5
173.09534	0.9
173.13289	4.8
175.11192	2.1
175.14825	0.9
177.12686	1.4
183.11740	2.3
185.13277	2.7
187.11166	0.9
187.14767	1.3
189.12805	1.4
191.03426	0.7
191.14149	0.7
193.08517	1.1
193.12311	1.3
197.13293	2.4
199.14835	0.7
203.14342	2.5
208.35980	0.7
211.14775	0.9
213.16374	1.3
214.20953	0.6
215.14290	1.2
215.17941	1.5
219.13641	0.9
229.07004	1.2
229.19556	2.2
233.15442	1.3
233.19180	1.0
238.31334	0.7
239.17964	4.2
247.20554	2.5
257.16034	0.9
257.19000	9.8
260.07690	1.0
275.05191	0.9
275.10089	5.3
275.16541	11.4
275.20053	100.0
276.20316	3.4
284.48660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03932	3.7
53.71106	0.7
53.88448	0.9
55.01873	7.0
55.05273	1.2
55.05511	17.2
61.45980	0.9
65.03941	1.1
67.05505	17.3
69.07070	11.0
70.34666	2.6
71.04980	1.9
79.05490	22.4
81.03415	2.1
81.07051	38.4
83.04970	2.5
83.08605	4.9
85.06525	1.6
91.05478	50.2
93.06486	1.5
93.07041	19.6
95.01335	1.0
95.04962	3.2
95.08607	12.5
97.06535	10.1
97.10165	2.1
103.05473	2.7
105.07030	100.0
106.07365	0.9
107.04950	6.6
107.08594	10.5
109.06519	1.6
109.10152	5.1
111.08076	0.9
113.82090	0.8
114.67654	0.8
115.05431	1.0
117.06999	10.1
119.08582	38.3
119.43484	0.8
121.06480	1.5
121.10114	3.9
123.08040	1.7
123.11699	1.3
125.09624	1.3
129.06949	1.5
131.08566	21.1
133.10124	56.8
135.08046	1.7
135.11682	3.1
142.42462	0.9
143.08553	3.1
145.10110	13.7
147.11684	22.2
149.09605	3.6
149.13229	1.4
151.11127	1.7
155.08525	1.2
157.10100	3.0
159.11668	7.4
161.13261	3.4
163.11159	2.1
165.09114	2.0
169.10107	1.4
171.11691	2.4
173.13246	2.7
177.12781	1.4
179.14322	1.9
183.11655	2.0
197.13281	1.5
219.13782	1.1
229.19604	1.0
239.17966	1.8
247.17003	1.0
247.20552	1.8
257.19034	6.5
271.38440	0.9
275.20056	79.5
276.20462	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	4.8
65.03939	1.6
67.05494	2.3
69.03424	1.6
69.74989	3.5
82.99865	2.8
83.04971	2.6
84.08144	1.8
93.03397	2.4
95.04953	4.0
97.02888	1.3
98.97581	24.7
101.00874	23.6
103.02453	1.5
104.38693	0.7
105.00392	0.9
109.01372	1.7
111.04428	1.9
115.02458	0.7
116.13290	0.8
116.98618	16.6
119.01918	81.9
120.02013	2.3
121.02854	7.7
127.02395	12.7
129.04002	1.5
131.01910	1.5
133.03418	1.8
134.99654	5.5
137.02957	17.8
139.02354	1.4
139.03874	2.5
141.03951	1.3
142.03514	2.4
143.00125	1.2
143.01886	5.8
143.05547	1.8
145.03458	61.8
146.03574	1.3
147.01390	0.8
147.05038	1.2
151.02365	1.9
153.03976	1.5
157.03471	12.0
159.05045	2.1
161.02962	9.5
161.06534	2.2
163.04498	4.1
167.01900	2.4
168.05095	1.6
169.03464	68.3
170.03674	2.1
171.01379	1.8
171.05045	12.9
172.94406	1.1
173.02972	1.6
175.04565	5.4
177.00809	1.3
179.01843	1.1
183.04956	1.1
185.02948	27.4
185.06581	2.5
187.04515	97.5
188.04645	3.4
189.00876	1.0
189.02441	3.0
189.06108	4.3
195.05040	7.4
197.02960	13.3
197.95929	1.1
199.97418	0.9
201.06082	1.5
203.02280	1.2
203.04021	10.0
205.05574	14.5
208.04527	1.1
210.06131	3.5
211.04503	5.5
213.02458	1.7
213.06053	5.1
215.04012	21.9
221.02983	3.7
229.05579	47.1
231.03535	3.5
231.07047	0.9
232.96466	1.7
238.05469	1.1
239.04063	4.9
247.06633	28.3
249.04605	1.9
251.97061	0.8
252.96312	1.2
256.96344	2.9
257.05081	4.1
270.08408	1.9
274.97568	13.6
275.06107	100.0
276.06235	4.1
292.98566	11.0
293.07135	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1641
Annotation	8-Methoxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-6-ol
Peak:m/z	Relative Intensity
53.03943	0.7
55.05306	0.3
55.05509	3.3
56.52866	0.3
57.07067	1.8
59.63223	0.3
64.01781	0.4
67.05500	2.2
69.07074	8.0
70.79884	0.4
79.05490	3.0
81.03418	0.4
81.06644	0.6
81.07057	5.3
81.86700	0.4
83.08635	2.3
86.82471	0.3
91.05479	4.1
92.13177	0.3
92.34540	0.4
93.07053	1.9
94.58288	0.3
95.04954	3.0
95.08614	3.4
97.10157	1.5
98.21544	0.6
100.13858	0.4
103.05484	0.7
105.03365	0.8
105.07029	5.0
107.04957	5.4
107.08572	1.1
109.10159	1.0
111.11713	0.5
117.06979	0.6
119.04890	0.9
119.08558	1.6
121.06514	1.2
121.10195	0.3
123.04445	1.9
123.11677	3.7
131.08571	0.9
133.06500	2.7
133.10146	2.7
135.04439	0.5
135.08055	0.6
135.11702	0.8
137.13258	1.1
145.10115	1.1
146.07265	0.5
147.04428	1.5
147.08035	0.9
147.11650	0.9
149.09708	0.6
151.03906	100.0
152.04250	1.1
159.07983	0.6
161.09615	6.4
165.05486	10.5
173.05899	0.4
175.03897	1.2
175.11104	0.4
177.05420	0.8
179.07050	4.2
182.11705	0.4
182.91148	0.4
187.07564	1.3
191.06990	1.0
192.06606	0.7
193.08604	6.4
205.08635	0.9
207.10315	0.6
219.06621	1.8
219.10078	2.6
233.07985	0.7
257.15341	0.7
257.18884	0.4
275.16440	56.0
275.19925	5.6
275.27765	1.5
276.16818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	7.5
65.03926	1.0
67.05487	2.7
69.03424	1.6
71.95257	1.5
72.91711	0.8
82.99854	2.7
83.04993	2.0
84.08135	2.3
93.03403	1.5
95.04949	3.3
97.02896	2.4
97.71877	0.7
98.21559	2.4
98.97583	56.1
101.00874	22.5
103.02428	1.1
105.00358	1.0
109.01381	1.6
111.04432	2.2
115.02444	1.4
116.98615	34.5
119.01917	75.6
121.02863	5.6
125.04449	0.9
127.02409	10.5
129.03949	2.0
131.01920	1.6
133.03464	1.2
134.99644	13.1
135.52272	0.8
137.01982	1.5
137.02959	20.5
139.02426	0.9
140.00166	1.7
141.03972	1.2
142.03525	1.8
143.01898	4.2
143.05545	1.3
145.03462	58.2
147.01385	0.9
147.04971	1.4
151.02397	0.8
153.00589	1.4
153.03914	2.2
157.03468	11.2
159.05086	3.5
160.28871	0.8
161.01335	1.1
161.02956	9.7
161.06554	1.4
163.04546	5.1
166.76405	0.8
167.01871	1.5
168.05127	1.8
169.03461	57.2
171.01399	1.6
171.05023	12.9
172.94263	0.9
175.04498	3.3
177.06178	0.9
179.01828	1.0
183.05031	1.0
185.02953	26.2
185.06561	2.5
187.04521	93.5
189.02502	4.5
189.06046	2.4
190.95406	2.7
193.03578	0.8
195.05074	4.4
195.45364	0.7
197.02965	14.6
202.31122	0.7
203.02246	1.2
203.03990	9.2
205.05595	12.9
207.03506	1.0
208.96384	1.1
210.06137	5.0
211.04530	4.2
213.02460	1.9
213.06017	4.8
215.02109	1.5
215.04018	18.1
216.98737	1.3
221.02954	4.2
229.05571	48.3
229.27228	0.8
231.03493	3.1
231.07175	1.3
232.96509	4.0
233.05104	1.7
239.04083	2.9
239.50470	0.8
246.91158	1.2
247.06633	30.4
249.04526	2.4
250.97594	1.9
256.96457	5.8
257.05075	5.7
270.08182	2.1
274.94464	1.6
274.97519	39.7
275.06104	100.0
276.06342	1.0
288.92160	1.7
292.08911	1.2
292.98535	26.2
293.07153	21.5
297.99075	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	274.9751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49123	0.6
56.05039	0.8
56.96564	14.1
58.97794	0.7
60.04514	1.2
60.05648	3.0
65.20637	0.7
69.03412	1.0
70.01867	1.5
70.02260	1.3
70.06596	8.3
71.06902	0.9
71.95260	2.1
72.08160	7.2
78.32178	0.7
84.04497	1.2
84.08144	7.2
84.96028	0.8
85.02905	1.9
86.06059	0.9
86.09704	1.5
91.05480	1.0
95.06099	4.2
97.02879	1.6
98.97583	100.0
108.96022	0.8
110.97578	2.4
112.08720	0.8
113.03505	0.9
113.07133	15.3
115.08688	1.1
116.07096	2.0
116.98620	60.4
119.01914	0.9
119.04936	0.7
125.07124	1.0
127.02172	0.8
128.98615	3.1
129.10254	2.3
130.93280	1.4
131.00160	1.4
131.01912	0.7
134.99654	23.2
136.07597	2.0
140.00211	2.0
142.09760	0.7
143.00191	0.8
146.99654	1.1
147.11311	0.7
148.30975	0.7
153.00713	2.5
153.05782	0.7
158.01280	0.9
158.09247	0.8
158.99673	0.9
172.94319	4.9
173.02946	0.8
175.11885	3.7
177.00723	1.1
189.00732	0.7
190.95374	5.3
193.00290	0.9
197.95129	0.7
208.96471	2.0
214.95416	1.6
219.01752	2.3
232.96416	5.6
237.02811	5.0
250.97508	3.4
251.00275	0.7
255.03850	0.9
256.96423	9.8
256.98956	1.1
257.16116	1.3
274.18787	5.1
274.97507	76.6
275.10248	0.9
275.12827	1.6
275.18976	2.1
292.98557	55.7
293.05615	1.6
297.99054	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	274.1437
Annotation	Ptelefoliarine
Peak:m/z	Relative Intensity
55.05516	0.5
58.34726	0.4
69.03423	0.6
70.06578	0.8
70.21690	1.6
79.05543	0.5
84.08151	0.9
85.06554	0.5
86.09715	1.2
91.05494	0.8
95.05002	0.5
100.51461	0.4
103.05491	0.9
105.45995	0.4
115.05476	2.4
117.07059	0.6
118.06486	0.5
119.04926	0.6
120.08106	0.4
121.10088	0.4
130.06519	0.5
131.04900	0.5
131.07312	0.8
143.07301	0.7
144.08083	26.9
146.06056	1.4
146.09645	1.2
146.11763	1.1
147.04401	1.2
148.04776	1.2
153.01845	2.5
154.02213	2.0
158.09715	0.5
160.07515	2.5
163.03899	0.5
172.07571	35.5
173.07982	0.7
174.09135	2.8
176.07066	3.2
181.08784	0.6
187.06311	0.5
188.07082	1.4
190.08554	0.8
196.11234	1.9
198.09113	0.5
200.07066	1.6
202.08630	84.2
203.08939	1.3
203.13936	0.6
204.10321	0.5
209.08347	2.2
212.07146	0.7
216.10110	3.1
218.08659	0.5
224.08533	0.6
224.10704	11.9
226.08630	17.0
226.12022	0.8
227.09009	0.5
228.07738	0.4
228.14925	0.5
230.12537	0.9
240.10071	0.6
241.10999	2.4
256.13330	46.5
257.13678	1.3
274.08350	3.5
274.14398	100.0
275.14804	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	274.0709
Annotation	5-Methoxymaculine
Peak:m/z	Relative Intensity
50.58026	0.2
67.05485	0.2
69.41723	1.5
81.07030	0.2
93.63091	0.2
109.10161	0.3
124.12057	0.2
125.19878	0.2
147.04379	0.2
151.03920	0.7
151.86574	0.2
152.04259	0.6
153.01854	0.4
158.05893	0.2
172.07498	0.2
175.06300	0.2
185.04756	0.3
186.05492	0.7
191.90918	0.2
200.07039	0.8
202.04971	0.3
203.03951	0.3
203.05765	3.5
213.04204	0.5
214.04961	1.0
217.03850	0.2
218.04497	0.4
218.08252	0.3
224.13834	0.2
228.06534	1.9
230.04500	2.2
231.05264	22.0
232.05798	0.8
241.03746	0.4
242.04436	0.7
246.07503	0.5
256.05942	0.9
257.06821	0.2
259.04776	6.1
260.05350	0.4
274.07089	100.0
275.07425	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0709
Annotation	5-Methoxymaculine
Peak:m/z	Relative Intensity
53.86213	0.2
55.05532	0.6
56.05857	0.2
57.07087	0.2
61.80321	0.2
62.33047	0.2
64.47297	0.2
67.05494	1.0
68.05853	0.4
69.03494	0.2
69.07071	1.1
70.06625	0.3
70.18167	0.9
79.05520	0.8
80.05871	0.3
81.07051	1.7
82.07418	0.5
83.08637	0.3
84.08986	0.2
91.05498	0.8
92.05843	0.4
93.07044	1.2
94.07413	0.6
95.04966	0.5
95.08603	1.8
96.08941	0.9
97.10182	0.2
105.03431	0.3
105.07052	0.9
106.07388	0.3
107.05004	0.2
107.08573	1.0
107.31126	0.2
108.08959	0.7
109.10164	1.5
110.10493	1.1
119.04994	0.3
119.08619	0.6
120.05334	0.4
121.10165	0.7
122.10504	0.4
123.04411	0.2
123.11697	1.0
124.04855	0.2
124.12009	0.9
131.08577	0.2
132.08916	0.2
133.02907	0.9
133.10167	0.3
134.03244	0.7
134.10475	0.3
135.04446	0.4
135.11684	0.4
136.04782	0.5
136.12097	0.4
147.04367	0.9
147.11713	0.3
148.04771	0.7
149.13304	0.5
150.13632	0.4
151.03893	4.0
152.04243	3.6
153.01833	1.7
154.02147	1.7
157.05278	0.3
161.04698	0.3
161.13287	0.3
162.09996	0.3
162.13565	0.3
163.14821	0.4
164.15166	0.2
166.05734	0.2
171.02892	0.4
172.07515	0.3
175.06279	0.5
175.14877	0.3
176.03476	0.6
178.09309	0.2
178.16786	0.4
185.04716	2.2
190.05803	0.2
191.17929	0.2
200.03423	1.8
201.04201	0.2
202.05000	1.4
202.08578	0.3
203.05766	0.5
203.17912	0.2
204.02957	0.6
204.11041	0.3
204.18295	0.4
213.04280	1.2
214.04985	1.3
214.09453	0.5
214.13083	0.2
218.08913	0.3
218.19835	0.4
224.10692	0.2
228.03046	0.3
228.06551	4.5
230.04504	4.9
231.05228	2.9
233.08073	0.2
242.04449	0.5
245.03291	0.4
256.06061	2.1
256.14008	0.5
258.03979	1.9
259.04755	100.0
260.05066	2.3
274.07098	69.0
274.15073	5.0
274.25989	2.1
275.07458	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	274.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86213	0.2
55.05532	0.6
56.05857	0.2
57.07087	0.2
61.80321	0.2
62.33047	0.2
64.47297	0.2
67.05494	1.0
68.05853	0.4
69.03494	0.2
69.07071	1.1
70.06625	0.3
70.18167	0.9
79.05520	0.8
80.05871	0.3
81.07051	1.7
82.07418	0.5
83.08637	0.3
84.08986	0.2
91.05498	0.8
92.05843	0.4
93.07044	1.2
94.07413	0.6
95.04966	0.5
95.08603	1.8
96.08941	0.9
97.10182	0.2
105.03431	0.3
105.07052	0.9
106.07388	0.3
107.05004	0.2
107.08573	1.0
107.31126	0.2
108.08959	0.7
109.10164	1.5
110.10493	1.1
119.04994	0.3
119.08619	0.6
120.05334	0.4
121.10165	0.7
122.10504	0.4
123.04411	0.2
123.11697	1.0
124.04855	0.2
124.12009	0.9
131.08577	0.2
132.08916	0.2
133.02907	0.9
133.10167	0.3
134.03244	0.7
134.10475	0.3
135.04446	0.4
135.11684	0.4
136.04782	0.5
136.12097	0.4
147.04367	0.9
147.11713	0.3
148.04771	0.7
149.13304	0.5
150.13632	0.4
151.03893	4.0
152.04243	3.6
153.01833	1.7
154.02147	1.7
157.05278	0.3
161.04698	0.3
161.13287	0.3
162.09996	0.3
162.13565	0.3
163.14821	0.4
164.15166	0.2
166.05734	0.2
171.02892	0.4
172.07515	0.3
175.06279	0.5
175.14877	0.3
176.03476	0.6
178.09309	0.2
178.16786	0.4
185.04716	2.2
190.05803	0.2
191.17929	0.2
200.03423	1.8
201.04201	0.2
202.05000	1.4
202.08578	0.3
203.05766	0.5
203.17912	0.2
204.02957	0.6
204.11041	0.3
204.18295	0.4
213.04280	1.2
214.04985	1.3
214.09453	0.5
214.13083	0.2
218.08913	0.3
218.19835	0.4
224.10692	0.2
228.03046	0.3
228.06551	4.5
230.04504	4.9
231.05228	2.9
233.08073	0.2
242.04449	0.5
245.03291	0.4
256.06061	2.1
256.14008	0.5
258.03979	1.9
259.04755	100.0
260.05066	2.3
274.07098	69.0
274.15073	5.0
274.25989	2.1
275.07458	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03929	2.5
54.72869	0.7
55.01866	4.6
55.05503	9.9
57.03421	0.9
57.07066	1.0
65.03938	1.5
67.05506	18.7
69.03411	2.3
69.07066	8.0
69.72179	2.8
69.72587	1.9
71.04987	2.2
79.05492	16.2
81.02559	0.6
81.03407	2.6
81.06591	1.1
81.07053	19.0
83.04965	2.4
83.08619	4.7
85.06537	1.2
91.05478	30.1
92.86070	0.6
93.07046	16.2
95.04961	7.1
95.08601	12.5
97.06523	1.6
97.10167	1.9
98.21479	0.8
98.52330	0.7
99.40945	0.6
103.05470	2.5
104.87604	0.7
105.07028	31.3
107.04963	5.5
107.08591	9.6
109.06526	3.8
109.10141	5.1
111.08085	1.3
113.20526	0.6
115.05457	2.3
116.06217	1.2
117.07019	12.8
119.04948	3.7
119.08575	19.0
121.06503	10.6
121.10158	4.6
121.10928	0.8
123.04393	1.2
123.08065	4.2
123.11672	1.7
125.05964	0.7
128.06210	3.8
129.06972	8.9
130.07791	2.3
131.04892	0.8
131.08560	20.7
132.05679	0.9
133.06502	9.5
133.10121	10.9
135.08049	5.8
135.11684	2.5
137.09613	1.1
137.13239	0.7
141.06918	1.8
142.07787	2.7
143.08557	15.9
144.09277	0.8
145.06462	3.5
145.09058	1.3
145.10126	19.3
146.07230	1.4
147.04411	6.1
147.08052	14.2
147.11676	4.2
149.09616	4.2
149.13191	0.8
151.03879	1.0
151.11227	1.3
153.01830	12.2
155.08580	3.6
156.09387	0.9
157.06483	1.2
157.10115	10.5
159.08083	4.9
159.11676	9.1
161.09608	14.2
161.13283	2.2
163.11174	3.0
165.06987	0.8
169.10094	2.8
171.08046	1.5
171.11665	7.7
173.09622	3.1
173.13242	2.5
175.11171	6.7
177.09087	1.7
177.12759	0.7
181.10135	1.9
183.11703	1.8
185.09659	1.8
185.13220	4.2
187.11266	1.7
187.14777	0.9
189.12784	2.5
193.12195	0.7
195.11697	2.2
199.11137	2.9
199.14854	1.0
201.12730	1.3
203.10669	1.3
203.14363	0.9
203.17950	1.4
209.13292	1.0
211.14828	1.2
213.12823	1.3
213.16394	3.3
217.12228	1.7
217.19469	1.1
227.17918	5.7
231.17311	1.4
237.16302	3.6
245.18990	9.6
255.17421	9.8
273.07504	7.5
273.10083	1.6
273.18481	100.0
274.07248	0.9
274.18835	1.8
282.90622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2575
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05516	14.8
57.07059	6.0
67.05508	21.7
69.07069	27.0
69.34180	2.4
69.98108	12.4
71.08615	3.9
75.89793	2.5
78.10201	2.2
79.05488	12.5
81.06592	3.7
81.07057	64.8
83.08627	13.5
91.05462	8.5
93.07041	29.2
95.08608	67.7
97.10163	6.9
98.20811	2.7
105.07037	20.2
107.08592	46.3
109.10154	52.4
111.04041	2.2
111.11713	5.0
119.08598	21.4
121.09318	4.2
121.10143	44.8
123.11704	35.3
126.65421	2.2
133.10144	18.7
135.11700	35.8
137.13243	13.0
143.62326	2.4
147.11702	16.3
149.13269	45.9
151.14822	5.3
153.01866	3.1
159.11711	2.7
161.13231	23.1
163.14806	26.4
165.16327	2.9
175.14795	12.5
177.16396	15.9
189.16383	18.6
191.17921	8.6
203.17987	19.3
217.19519	29.4
231.21126	4.0
261.90198	2.5
266.26794	2.7
273.07462	3.4
273.25757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03946	2.2
55.01876	4.9
55.05514	10.5
55.36527	0.5
57.03422	1.7
57.07071	1.2
57.38764	0.5
59.04995	0.7
64.77474	0.5
65.03946	1.3
67.01840	0.7
67.05510	18.7
69.03426	2.4
69.07069	8.9
71.04989	1.7
73.06567	0.6
77.03916	0.9
79.05496	19.0
81.03422	3.1
81.07063	18.0
83.04983	3.9
83.08628	4.1
85.06556	0.6
91.05483	29.1
93.06480	1.1
93.07048	18.7
95.04967	6.9
95.08611	14.9
97.06532	2.4
97.10185	1.6
103.05471	2.2
105.03402	1.0
105.04546	0.6
105.07034	31.3
106.55514	0.5
107.04961	7.7
107.08599	8.8
108.22371	0.5
109.06531	5.7
109.10165	4.6
111.04460	0.9
111.08070	1.6
115.05449	3.0
116.06242	0.9
117.06232	1.0
117.07021	13.6
119.04978	4.0
119.08587	19.7
121.06511	8.7
121.10143	5.2
123.04444	1.3
123.08073	5.3
123.11726	1.4
125.05994	0.9
125.09664	0.7
128.06221	4.8
129.06999	10.5
130.07744	2.5
131.04955	1.4
131.08568	21.2
132.05710	1.1
133.06493	12.7
133.10146	12.3
135.04414	0.8
135.08066	6.1
135.11691	2.5
137.09586	3.3
139.11363	0.5
141.06990	1.9
141.29306	0.5
142.07779	2.7
143.08575	13.2
144.09259	1.1
145.06474	3.7
145.10126	22.3
146.07286	1.5
147.04414	8.3
147.08046	12.7
147.11674	4.8
148.04721	0.8
149.09613	4.8
149.13197	0.5
151.03923	4.3
151.11177	1.2
153.01839	15.3
154.07716	0.6
155.06073	0.6
155.08546	2.9
156.09328	0.7
157.06497	1.5
157.10146	10.3
159.08064	4.9
159.11699	8.4
161.08302	1.1
161.09619	16.8
161.13277	2.3
163.03891	0.6
163.07616	0.7
163.11153	2.5
165.05495	1.7
165.06921	0.9
165.09117	1.2
166.07730	0.7
167.08569	1.5
169.10199	3.2
170.10898	0.8
171.02971	0.7
171.08075	2.2
171.11684	7.4
173.09695	3.4
173.13292	2.1
175.04054	0.9
175.11203	9.0
175.14824	0.7
177.09111	1.1
177.12778	0.6
179.10803	0.7
180.09433	0.6
181.10114	2.3
183.11673	1.9
185.09668	3.0
185.13295	4.2
187.03955	0.8
187.11215	3.1
189.05443	1.3
189.09152	1.2
189.12743	3.4
191.10684	0.9
193.10231	0.7
195.11707	2.6
197.13307	0.7
199.11140	4.1
199.14836	1.4
201.12708	1.5
203.10710	1.6
203.14369	1.2
203.17967	0.7
204.03714	1.4
205.04037	3.0
205.12253	1.1
209.13278	1.8
211.14900	1.1
213.09163	1.0
213.12778	2.8
213.16364	2.2
217.10402	0.6
217.12233	2.4
217.19576	0.6
227.14333	2.0
227.17981	5.0
229.12471	0.7
229.15840	0.8
231.13831	1.3
231.17407	1.5
237.16396	4.2
240.04584	0.5
242.94812	0.6
245.13316	0.8
245.19035	9.9
255.14006	0.9
255.17456	11.6
258.10336	0.9
270.14923	0.6
273.07474	12.3
273.15128	4.9
273.18500	100.0
274.07510	0.8
274.18915	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1484
Annotation	Lhotzchromene
Peak:m/z	Relative Intensity
50.01584	0.6
53.03947	0.6
55.01868	1.2
55.05515	4.3
57.03439	0.6
57.07072	1.0
59.05001	0.7
63.02407	0.5
65.03946	0.7
67.01885	0.6
67.05498	5.3
68.99809	0.5
69.03432	3.3
69.03751	0.5
69.07068	4.4
70.06597	0.5
70.18402	1.9
71.04994	1.3
71.08603	0.5
77.03921	7.4
77.04322	0.5
79.05492	4.1
81.03412	0.7
81.07053	9.0
83.04967	1.2
83.08604	3.1
85.06532	1.0
91.05477	10.8
93.07032	4.5
95.04958	2.3
95.08600	5.4
97.06549	1.9
97.10202	1.2
99.08131	0.6
103.05460	1.1
104.39297	0.4
105.03385	4.3
105.07028	7.0
107.04955	5.6
107.08588	5.0
109.06541	1.1
109.10169	5.4
111.08103	1.0
115.05486	1.7
116.06248	1.5
117.07022	5.8
119.04952	4.0
119.08582	5.0
121.06543	2.0
121.10135	4.5
121.38908	0.4
123.04437	1.2
123.08064	0.8
123.11714	2.4
125.09640	1.4
128.06245	1.8
129.06989	4.1
130.07793	1.4
131.04907	0.8
131.08559	11.3
132.05708	0.5
133.02849	34.5
133.06522	2.8
133.10139	3.8
134.03239	0.7
135.04407	14.6
135.05408	0.9
135.08095	1.5
135.11737	1.5
137.09628	0.5
137.13240	0.5
139.11198	1.2
141.07014	1.7
142.07828	1.5
143.08551	5.4
144.05730	1.9
145.06505	2.4
145.10117	9.3
147.04405	14.2
147.05515	1.0
147.08060	3.6
147.11716	1.8
148.04654	0.6
149.02324	1.1
149.05968	2.9
149.09645	1.1
149.13237	0.7
151.03899	17.6
151.11244	0.8
153.01825	18.0
153.06973	0.8
154.02229	0.6
155.06140	0.5
155.08604	1.3
156.09491	0.5
157.06520	1.2
157.10126	3.4
158.07268	0.9
159.04436	1.0
159.08064	6.3
159.11690	2.5
161.05994	2.7
161.09608	5.4
161.13290	1.1
163.03941	1.7
163.07513	0.7
163.14819	1.0
167.03445	0.6
167.08566	0.8
169.10168	0.7
171.02927	1.7
171.08038	3.2
171.11711	1.6
172.07356	0.6
173.06087	0.9
173.09665	1.9
173.13293	0.9
174.05498	1.1
175.03914	5.2
175.07558	3.8
175.11176	1.0
175.14766	0.9
176.04631	0.6
177.05489	0.5
177.09114	9.2
179.03436	0.7
181.06526	0.8
183.08203	0.9
185.09564	4.2
185.13304	0.6
186.06830	1.5
187.07509	5.7
187.11200	1.0
188.08290	0.9
189.05568	1.2
189.09076	3.3
189.16441	0.9
190.08687	1.2
191.07146	0.5
191.17975	0.5
195.08002	0.5
197.09607	0.6
198.10405	0.5
199.07607	1.9
199.11218	1.1
200.06905	0.6
201.07576	1.1
201.09178	4.2
202.08171	3.0
203.10674	10.1
203.17993	1.3
205.08638	0.7
209.13390	0.6
211.11270	0.5
213.09079	2.8
213.12721	1.0
214.05025	1.3
215.05287	5.7
215.06992	0.7
215.10658	0.9
217.08652	1.7
217.19579	1.1
218.08093	4.1
227.14412	2.3
228.06537	0.6
229.07048	4.1
229.12192	2.5
229.16077	0.9
230.07668	11.2
231.10194	1.0
231.13800	0.6
237.12807	0.7
237.16408	1.0
240.11545	0.8
242.07768	0.5
245.10130	2.0
245.15388	1.0
246.07648	0.5
255.10843	0.7
255.13893	7.9
255.17555	1.4
257.06766	4.1
258.07175	47.6
259.07330	1.0
273.09631	100.0
273.14960	64.4
273.18518	13.6
273.22659	1.1
273.25711	4.8
274.07217	9.7
274.09930	3.0
274.15366	2.0
291.15967	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	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
52.03440	0.5
53.03939	1.4
55.01866	3.1
55.05275	0.8
55.05511	9.5
57.03438	0.8
59.05007	0.7
62.33886	0.5
65.03931	1.1
67.05503	11.3
69.03426	1.6
69.07067	5.2
69.83540	1.9
69.83952	0.9
71.04984	1.8
79.05492	9.0
81.03407	1.2
81.07050	9.5
83.04961	2.3
83.08623	2.6
86.56908	0.6
87.88076	0.5
89.95087	0.4
91.05479	20.2
91.43576	0.7
93.07040	7.1
95.04967	3.1
95.08604	6.4
97.06550	1.4
97.10143	1.9
98.20732	0.7
103.05483	1.0
105.07032	16.2
107.04980	3.6
107.08594	6.1
109.06490	1.9
109.10153	4.5
111.08074	0.9
115.05453	2.0
116.06219	2.1
117.07021	14.4
118.07321	0.6
119.04916	2.2
119.05680	0.5
119.08581	16.6
121.06505	3.3
121.10103	2.6
123.04424	0.6
123.08096	1.1
128.06224	2.8
129.06999	8.3
130.07773	2.7
131.04916	0.6
131.08565	31.1
132.05708	0.7
133.06525	4.6
133.10115	5.6
135.04330	0.7
135.08029	2.0
135.11670	1.4
141.06963	1.5
142.07762	1.2
143.08572	8.4
145.06468	1.9
145.10118	22.3
147.04430	3.3
147.08038	9.8
147.11629	2.7
149.09590	2.1
151.03879	0.8
151.11174	0.6
153.01833	7.5
155.08533	1.6
156.09290	0.7
157.06474	0.7
157.10126	7.4
159.08038	4.4
159.11673	5.6
161.09610	7.6
161.13194	0.8
163.03940	0.6
163.11205	1.2
167.08411	0.6
169.10127	1.9
171.08072	0.9
171.11644	3.8
173.09616	2.4
173.11769	0.6
173.13185	1.3
175.11226	4.4
181.10106	1.4
183.11697	1.1
185.09601	1.7
185.13277	1.5
187.11154	2.1
187.14854	0.7
189.12721	1.1
195.11691	1.5
199.11234	3.0
199.14752	0.7
203.10652	0.7
205.12227	0.8
209.13237	1.1
213.16371	1.6
217.12129	0.7
227.17902	3.5
231.17361	0.6
237.16318	3.1
245.19086	3.3
255.17439	9.0
258.07248	1.0
273.07416	6.2
273.18481	100.0
274.18860	1.4
279.80106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1484
Annotation	Lhotzchromene
Peak:m/z	Relative Intensity
53.03945	0.8
55.05505	1.6
57.07074	0.6
65.03935	0.4
67.05502	6.6
69.03431	0.7
69.07060	2.6
70.58752	0.8
70.59122	0.7
77.03928	1.5
79.05085	0.4
79.05501	5.7
81.07058	9.0
81.81482	0.4
83.08624	0.7
86.05870	0.3
91.05491	3.1
93.07047	3.5
95.04974	5.9
95.08607	9.7
97.10164	0.8
103.05463	0.7
105.03394	1.5
105.04491	0.6
105.07016	2.7
107.04946	2.7
107.08578	3.5
109.10159	17.3
111.11716	0.6
115.05449	0.7
117.07003	0.8
119.04936	1.6
119.08568	1.7
121.06529	1.3
121.10137	5.8
122.10924	0.7
123.04446	2.6
123.11707	18.9
128.06212	0.5
131.04936	0.7
131.08568	1.2
133.02859	6.3
133.06508	1.7
133.10110	0.6
133.47855	0.4
135.04430	3.1
135.11684	2.3
141.06970	0.4
143.08578	1.1
144.05717	0.6
145.06483	1.7
145.10092	0.7
147.04413	4.0
147.08072	1.6
149.05988	0.7
149.13268	0.4
151.03906	100.0
152.04216	1.0
153.01830	6.9
153.05518	0.4
153.07030	0.5
154.25473	0.4
157.10188	0.5
159.04448	0.5
159.08093	1.3
161.06018	0.5
161.09663	0.9
165.05501	4.5
171.02910	1.0
171.08052	1.3
173.05952	0.5
173.09642	0.9
175.03935	2.3
175.07535	0.7
177.05469	1.4
177.09111	0.9
179.07028	1.2
181.06490	0.5
185.05992	0.5
185.09615	0.9
187.07571	0.6
189.05464	3.9
189.09294	0.3
191.07083	0.6
193.08557	0.4
198.06616	0.4
199.07532	1.0
203.07025	1.6
203.10701	1.5
205.08571	0.5
213.09135	0.8
213.12842	0.5
217.08621	5.1
227.14380	1.1
231.10081	1.4
241.08621	0.9
255.13857	2.5
268.35049	0.4
273.07703	5.7
273.14856	27.7
273.25732	0.6
274.15228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1485
Annotation	Lhotzchromene
Peak:m/z	Relative Intensity
52.32943	0.3
53.00274	0.3
53.03944	1.3
55.01872	0.4
55.05502	1.9
57.07075	0.7
65.03954	0.6
67.01853	0.5
67.05503	8.3
67.86140	0.3
68.99775	0.5
69.03431	0.9
69.07066	2.8
69.27174	2.3
75.10148	0.2
77.03916	1.4
79.05492	6.0
81.03419	0.5
81.07052	10.6
83.04973	0.7
83.08613	0.7
91.05471	4.8
93.07043	4.4
95.04964	5.4
95.08603	9.4
96.14896	0.3
97.10157	0.8
98.21534	0.6
103.05473	0.6
105.03407	1.5
105.04539	0.7
105.07021	2.7
107.04942	2.5
107.08585	4.3
109.06507	0.4
109.10152	17.4
111.08139	0.3
111.11702	0.5
115.05422	0.5
117.07006	1.7
119.04921	2.5
119.08572	0.8
121.06500	1.2
121.10136	5.4
122.10909	0.5
123.04409	3.1
123.08067	0.4
123.11700	15.3
125.09536	0.3
128.06206	0.6
129.06999	0.7
131.04926	0.5
131.08557	0.9
133.02841	4.3
133.06509	2.3
133.10150	0.4
135.04407	2.2
135.08009	0.3
135.11693	2.2
143.08598	0.6
144.05696	0.8
145.06487	1.9
145.10086	0.8
147.04417	5.4
147.08049	1.6
149.05980	1.1
151.03894	100.0
152.04286	1.0
152.06203	0.3
153.01825	12.1
153.06969	0.3
155.06032	0.3
157.06500	0.4
157.10115	0.4
159.04399	0.4
159.08066	0.8
161.05908	0.3
161.09645	0.6
163.03899	0.7
163.14839	0.4
165.05463	3.6
167.60605	0.3
171.02882	0.8
171.04286	0.3
171.08058	0.8
173.05936	0.5
173.09578	0.8
173.10846	0.5
175.03905	3.8
175.07599	0.5
177.05521	2.1
177.09113	0.8
179.07002	1.2
181.06412	0.5
185.05975	0.5
185.09584	0.8
187.07549	0.4
189.05464	6.2
191.07059	1.2
192.06563	0.3
193.08670	0.5
199.07559	0.8
203.07043	1.4
203.10693	1.2
203.17715	0.3
205.08591	0.7
213.09096	1.2
213.12666	0.4
217.08588	5.2
217.19580	0.3
227.14276	0.9
231.10156	1.8
255.13686	1.6
255.17389	0.4
273.07816	7.4
273.14825	28.6
273.25739	1.1
274.07510	0.6
274.15207	1.1
291.15799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1482
Annotation	2,2-Dimethyl-8-prenylchromene 6-carboxylic acid
Peak:m/z	Relative Intensity
53.03941	0.4
55.01861	0.6
55.05510	3.9
57.03416	0.5
57.05672	0.1
57.07069	1.1
61.02929	0.2
65.03931	0.4
67.01849	0.2
67.05504	0.8
68.99767	0.3
69.03410	0.5
69.07057	0.4
69.28649	0.7
69.29084	0.5
70.06570	0.4
71.04982	0.3
72.08135	0.2
75.61329	0.1
77.03919	0.2
79.05490	1.5
80.06283	0.2
81.03385	0.5
81.07058	1.1
83.04963	0.5
83.08591	0.2
84.08144	0.3
85.02923	0.1
85.06022	0.2
85.06540	3.4
86.09691	0.4
91.05473	2.8
93.03374	0.2
93.07037	1.6
95.04960	0.8
95.08596	0.5
97.02873	0.3
97.06487	0.1
98.20706	0.3
99.00783	0.3
103.05461	0.3
105.03394	0.3
105.07021	1.7
107.04945	1.3
107.08570	0.4
109.02852	0.6
109.06498	0.5
109.10155	0.1
111.04425	0.3
115.05423	0.7
116.06318	0.2
117.07003	1.1
119.04945	1.5
119.08580	2.3
121.02840	0.2
121.06493	0.7
121.10099	0.2
123.04408	0.6
123.08051	0.3
127.03882	0.3
128.06221	2.9
129.07028	1.1
130.07724	0.2
131.04913	0.4
131.08542	1.1
132.05684	0.2
133.02866	0.3
133.06458	0.6
133.10130	0.9
135.03407	0.2
135.04417	4.3
135.08031	0.4
137.05959	0.2
141.06961	0.7
142.07791	1.4
143.08557	3.5
144.05669	0.3
144.09253	0.1
145.06499	1.2
145.10144	0.9
146.07234	0.4
147.04424	3.6
147.08046	1.9
149.05954	0.6
151.03874	0.5
151.07481	0.1
152.06181	0.2
153.01826	5.1
153.07011	0.5
154.07820	0.2
155.05984	0.3
155.08559	1.0
156.09309	0.2
157.06471	0.6
157.10117	1.5
158.07231	0.5
158.10851	0.3
159.04404	0.8
159.08031	1.3
159.09225	0.3
159.11613	0.2
160.05223	0.1
160.08813	0.2
161.05981	1.0
161.09625	1.6
163.03877	1.1
163.07477	0.2
165.05589	0.2
165.06995	0.4
166.07805	0.2
166.12233	0.1
167.08559	0.6
168.09258	0.2
169.06392	0.3
169.10127	0.6
170.07230	0.3
170.10828	0.3
171.02875	0.7
171.04404	1.1
171.06671	0.3
171.08046	3.9
171.11638	0.4
172.08833	0.9
173.05997	3.2
173.09642	1.2
173.13258	0.4
174.06647	0.3
175.03877	0.2
175.07545	3.8
175.11064	0.2
177.05482	0.5
179.03391	1.3
179.08572	0.7
181.06473	0.5
181.10089	0.3
183.08064	0.6
183.11618	0.3
184.08842	0.2
185.05972	0.6
185.09618	3.0
185.13232	0.2
186.06723	0.4
186.10258	0.2
187.07542	2.9
187.11165	1.0
188.08321	0.7
189.09103	14.7
190.09407	0.2
194.10939	0.6
195.07977	0.8
195.11684	0.2
196.08859	0.3
197.05933	0.3
197.09651	1.1
198.06805	0.8
198.10411	0.4
199.07553	0.8
199.11151	0.3
199.14882	0.3
201.09082	2.8
201.12811	0.8
203.06978	0.4
203.10716	0.7
204.38969	0.2
209.13333	0.3
211.07587	0.3
211.11169	0.9
211.54320	0.1
212.08311	0.4
212.11961	0.8
213.09099	8.0
213.12680	0.7
214.09601	0.4
215.07051	1.6
215.10571	1.2
217.08595	3.1
219.10121	2.4
222.10402	0.5
225.09059	1.2
226.09845	0.4
227.07013	0.3
227.10707	0.6
227.14285	2.4
229.12218	8.6
230.09441	1.0
230.12921	0.6
231.06573	0.4
231.10161	1.4
231.13728	0.7
237.12772	0.7
239.10689	0.2
240.11371	1.0
243.11458	0.3
243.13803	1.3
245.08148	0.4
245.11693	0.2
245.15300	0.3
255.10162	0.4
255.13799	3.2
255.16702	0.3
258.12625	0.3
273.07535	3.8
273.14838	100.0
274.07544	0.3
274.15195	2.9
274.18134	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	273.1483
Annotation	Lhotzchromene
Peak:m/z	Relative Intensity
51.94010	0.1
53.03932	1.0
55.01867	0.5
55.05506	2.0
57.07064	1.1
59.75585	0.1
59.85896	0.1
65.03936	0.7
67.01857	0.7
67.05501	8.0
68.99788	0.5
69.03422	0.5
69.07065	3.8
69.07421	0.3
71.05003	0.2
71.08640	0.3
71.52314	0.2
77.03899	1.3
79.05489	6.0
81.03424	0.6
81.07054	11.1
83.04965	0.2
83.08622	1.3
91.05473	4.1
93.03382	0.2
93.07035	3.7
94.07814	0.2
95.04970	6.7
95.08603	9.7
97.02872	0.2
97.06552	0.2
97.10165	0.7
103.05463	0.7
105.03392	1.7
105.04521	0.6
105.07019	3.1
107.04964	2.2
107.08594	4.1
109.06530	0.6
109.10152	18.4
110.10485	0.2
111.00812	0.1
111.08115	0.2
111.11710	0.4
115.05457	0.4
116.06183	0.2
117.07036	0.9
117.07723	0.2
119.04942	4.1
119.08571	1.9
121.02878	0.2
121.06500	1.3
121.10144	5.5
122.10935	0.3
123.04423	3.0
123.08098	0.2
123.11700	17.0
124.12045	0.3
127.03891	0.2
128.06259	0.4
129.07027	0.5
131.04897	0.6
131.08572	1.4
133.02843	4.0
133.06519	1.2
133.07397	0.2
133.10121	1.5
135.04408	1.7
135.08080	0.3
135.11681	2.4
137.05983	0.3
137.13243	0.4
139.03841	0.2
141.06981	0.2
142.07762	0.2
143.08571	0.5
144.05721	0.8
145.06465	1.5
145.10104	0.9
147.04407	9.0
147.07985	1.0
147.11717	1.1
149.02356	0.3
149.05974	0.7
149.09532	0.2
149.13333	1.0
151.03894	100.0
152.04259	1.4
153.01819	17.5
153.06917	0.8
154.02158	0.6
155.08568	0.4
157.06493	0.4
158.07239	0.6
159.04347	0.2
159.08020	1.0
159.11650	0.5
160.07599	0.4
161.05992	0.4
161.09647	0.9
161.13203	0.9
163.03879	0.4
163.14810	1.1
165.05466	3.7
165.06857	0.3
165.16412	0.2
167.03249	0.2
167.08568	0.3
169.06464	0.3
171.02896	2.5
171.08073	0.6
171.11699	0.3
173.05988	0.4
173.09563	0.8
173.13342	0.2
173.28519	0.2
175.03908	1.7
175.07480	0.8
175.14816	0.6
177.05475	0.9
177.09013	0.8
177.16402	0.5
179.03418	0.3
179.07001	0.7
181.06468	0.6
185.06013	0.3
185.09631	0.7
185.13287	0.2
187.07562	0.5
187.11076	0.2
189.05438	2.6
189.09055	0.2
189.16446	0.6
191.07019	0.8
191.17831	0.2
192.06499	0.5
193.08575	0.3
195.08124	0.3
197.09755	0.2
198.06877	0.2
199.07549	1.1
203.07025	1.6
203.10591	0.8
203.17970	0.7
205.08600	0.6
213.09064	1.2
213.12752	0.5
217.08586	6.6
217.19485	0.7
218.08972	0.2
227.07019	0.2
227.14288	0.7
231.10101	1.3
237.12672	0.3
241.08559	0.4
245.11641	0.2
255.06537	0.2
255.10097	0.2
255.11130	0.2
255.13809	1.6
255.17542	0.3
273.07614	13.8
273.10416	0.6
273.11005	0.7
273.14813	16.7
273.18326	0.9
273.22659	0.3
273.25742	4.4
274.07388	1.1
274.15182	0.5
274.25836	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1484
Annotation	Lhotzchromene
Peak:m/z	Relative Intensity
53.03940	1.2
55.01857	0.5
55.05502	0.9
57.07063	0.8
65.03920	0.6
67.01856	1.5
67.05505	8.4
68.99785	1.2
69.03427	0.8
69.07073	2.2
71.04422	0.7
77.03941	0.5
79.05496	5.4
81.03417	0.5
81.07060	8.7
83.08611	0.5
90.63837	0.3
91.05482	4.2
93.07060	1.7
95.04969	5.9
95.08615	6.5
97.02888	0.5
99.16178	0.3
103.05476	0.5
105.03388	1.3
105.04504	0.5
105.07040	1.5
107.04980	2.2
107.08598	1.7
109.10159	21.9
117.06963	0.7
119.04938	5.0
119.08583	0.6
121.06508	1.2
121.10169	2.9
123.04430	3.5
123.11704	14.9
128.06198	0.4
129.06989	0.5
131.04913	1.1
133.02835	1.6
133.06487	1.1
133.10114	0.4
135.04417	0.5
135.11726	1.3
141.07004	0.9
142.07756	0.6
144.05733	0.9
145.06464	1.7
145.10149	0.3
147.04411	10.2
147.08069	0.7
148.04765	0.4
151.03905	100.0
152.04228	1.5
152.06210	0.8
153.01831	28.4
153.06973	1.3
154.02209	0.6
155.08556	0.5
157.06491	1.3
158.07318	0.4
159.08064	0.7
161.09692	0.6
161.13272	0.4
161.74965	0.4
163.03850	0.4
165.05501	3.4
165.07011	0.9
167.07109	0.5
167.08551	0.8
169.06490	1.2
170.07216	1.7
171.02908	4.7
171.08076	1.0
173.09607	0.4
175.03917	1.4
176.04660	0.7
177.05531	0.5
179.07036	0.6
181.06500	1.5
183.08025	1.1
184.08844	0.5
185.05933	0.7
185.09636	2.1
187.07590	0.7
189.05469	2.7
191.07014	2.5
193.08560	0.4
195.08038	1.9
197.05980	1.3
198.06735	3.8
199.07538	2.0
203.07045	1.3
205.08652	0.8
211.07529	0.5
212.08359	0.7
213.09119	5.5
215.06969	0.8
217.08592	7.6
226.06223	1.1
227.14247	0.5
230.09393	0.7
231.06657	0.3
231.10146	1.9
240.07785	0.6
241.08604	4.1
243.06522	1.7
245.11816	1.0
255.13809	0.9
258.08820	1.4
273.07596	16.4
273.11218	9.2
273.14868	10.3
273.17767	0.3
273.25983	0.5
274.07129	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1484
Annotation	Lhotzchromene
Peak:m/z	Relative Intensity
53.03939	2.1
55.04066	1.1
55.05493	2.1
67.01846	2.3
67.05507	8.9
68.99789	1.7
69.03424	3.7
69.07074	5.8
69.51902	8.2
71.04980	2.6
77.03938	14.7
79.05496	7.8
81.07042	11.5
83.08630	1.8
85.06437	1.2
87.00822	1.1
91.05474	10.7
93.07037	7.9
95.04964	7.2
95.08608	14.2
96.00761	1.2
97.06500	2.4
103.05460	1.3
105.03400	8.3
105.07069	6.0
107.04946	10.1
107.08595	9.0
109.06494	1.8
109.10161	15.2
111.08089	1.4
115.05499	2.0
117.07021	2.3
118.80981	1.2
119.04933	7.5
119.08588	2.3
121.06498	4.8
121.10143	9.8
123.04417	3.6
123.11706	14.6
129.07024	2.0
131.08553	6.9
133.02853	70.0
133.06487	5.8
133.10124	4.0
134.03618	1.5
135.04399	30.3
135.11678	2.5
135.78642	1.2
139.11205	2.7
141.06976	2.7
142.07722	1.6
144.05702	4.0
145.06494	4.7
145.10063	2.3
145.31334	1.3
146.07278	1.5
147.04413	27.0
147.08041	4.8
149.05972	4.7
149.09572	1.6
151.03905	82.3
152.04205	1.5
153.01833	40.4
154.02161	1.9
157.06477	4.6
157.10129	2.2
159.04378	1.8
159.08061	9.9
161.05981	5.0
161.09602	10.1
163.14763	1.6
165.05499	3.2
169.07709	1.4
171.02895	3.9
171.08054	6.4
172.46442	1.2
173.09659	1.8
175.03870	2.4
175.07591	8.4
175.11201	1.4
177.05573	1.3
177.09123	20.0
185.09599	7.5
187.07529	5.4
189.05453	4.2
189.09149	2.7
199.07564	4.0
199.11090	1.3
201.09073	2.8
203.07011	1.4
203.10651	17.1
205.08621	1.7
213.09151	2.2
213.12733	1.9
217.08656	4.7
227.14276	4.4
231.10225	1.4
241.77026	1.3
255.06630	1.4
255.13815	14.1
259.04904	1.2
273.07510	25.1
273.14856	100.0
273.25674	3.9
274.15106	3.0
291.15918	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	273.1484
Annotation	Lhotzchromene
Peak:m/z	Relative Intensity
52.59772	0.6
53.03949	1.8
55.01874	1.2
55.05510	3.4
60.71065	0.7
67.01878	1.0
67.05506	10.8
69.03438	3.7
69.07067	5.2
71.04988	2.0
77.03532	1.1
77.03934	11.6
79.05493	8.4
81.03407	0.8
81.07055	10.8
83.04980	2.3
85.05408	0.6
85.06554	1.2
91.05486	8.8
93.07043	5.8
95.04972	6.7
95.08604	13.8
97.06551	1.7
97.92320	0.6
103.05482	1.8
105.03405	6.7
105.04459	0.7
105.07038	4.9
107.04942	8.5
107.08601	6.0
109.06498	0.7
109.10154	20.8
115.05463	1.8
116.06238	1.0
117.07008	2.2
119.04948	2.5
119.08587	1.6
121.06515	2.2
121.10121	6.3
122.10900	0.7
123.04427	3.3
123.11708	12.9
125.09642	1.2
128.06201	1.4
129.07016	2.0
130.06522	1.1
131.04936	1.5
131.08556	5.2
133.02852	47.7
133.06493	5.0
133.10114	1.6
134.03670	1.2
135.04413	17.7
135.11690	2.8
139.11177	1.9
141.06998	1.3
143.08530	1.2
144.05727	3.6
144.81882	0.6
145.06471	3.2
147.04404	9.9
147.05508	1.1
147.08047	3.0
149.05975	5.3
149.09657	0.8
151.03903	100.0
152.04321	0.9
153.01830	9.3
157.06490	1.5
158.07230	1.4
159.08034	7.1
161.05983	2.6
161.09633	6.1
163.03914	0.8
165.05496	3.6
169.06459	1.2
171.02884	1.6
171.08069	2.7
172.08995	0.7
173.05965	2.0
173.09572	1.7
173.10860	0.9
175.03937	3.7
175.07520	5.6
176.04741	1.3
177.05528	0.9
177.09111	11.8
179.07059	0.8
185.09612	3.6
187.07547	3.8
189.05478	4.4
189.09155	1.1
191.07031	2.1
191.11827	1.2
199.07568	3.4
199.11177	1.1
201.09146	0.9
203.07024	1.9
203.10664	11.0
205.08513	1.1
213.09119	2.1
213.12723	1.1
217.08624	4.7
227.14212	3.5
231.10091	2.0
237.12697	1.6
240.48495	0.7
255.13821	8.8
273.07870	5.3
273.14847	80.6
274.15213	1.0
291.15881	6.2
293.09061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1484
Annotation	(+)-Methallenestrilphenol
Peak:m/z	Relative Intensity
55.01871	1.0
55.05516	0.5
57.07074	0.4
59.04989	0.5
61.25661	0.4
62.36455	0.4
65.03938	0.5
67.05482	1.4
69.74550	1.7
69.74975	0.8
71.04984	1.8
79.05496	1.2
81.03393	0.5
81.07063	2.4
85.06532	0.9
90.75227	0.3
91.05489	3.2
93.07034	1.1
95.04977	0.4
99.08089	3.8
105.07037	3.2
109.06528	0.8
115.05442	1.4
117.06999	2.5
119.04926	2.0
119.08567	3.4
121.02891	0.4
121.06527	0.4
123.04386	0.6
127.07554	0.9
127.26575	0.4
128.06195	2.2
129.06964	1.6
130.07750	1.1
131.04906	0.6
131.08566	1.5
133.10146	1.2
135.04402	3.7
135.08064	0.6
136.08394	0.5
141.06981	0.6
142.07709	0.9
143.08589	1.9
145.06491	2.1
145.10138	2.5
147.04410	1.2
147.08041	1.8
153.01765	0.9
153.06947	0.7
155.08546	5.6
157.06471	0.5
157.10127	1.4
158.07285	1.9
159.04382	3.5
159.08067	3.3
160.08775	0.8
161.05960	0.6
161.09674	0.5
163.07523	0.5
163.26762	0.4
165.06891	0.6
171.08089	2.5
173.05969	1.4
173.09630	2.2
174.06783	0.9
175.07555	0.7
179.08572	0.5
183.08060	6.5
185.09621	1.4
186.06755	16.9
187.07538	30.0
188.08310	7.4
189.09106	4.6
195.07973	0.5
197.09636	1.3
198.06689	0.5
199.07521	1.0
201.05466	2.5
201.09106	43.3
202.09406	0.7
203.10635	1.7
209.13274	0.8
213.09116	1.6
213.12738	0.6
215.07034	4.7
215.10532	0.5
222.10419	0.6
225.09073	1.4
227.14276	0.9
231.10127	1.7
237.12680	1.1
239.10709	0.5
240.11447	5.4
245.15390	1.4
255.13808	7.1
258.12512	12.2
259.12827	0.6
273.14838	100.0
274.15170	2.7
274.27368	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	273.1483
Annotation	Lhotzchromene
Peak:m/z	Relative Intensity
51.02370	0.7
53.03925	0.6
55.01860	0.8
55.05510	2.8
57.03427	0.4
63.02395	0.4
65.03934	1.0
67.01857	2.0
67.05509	3.4
68.99773	1.3
69.03155	0.3
69.03427	3.9
69.07056	1.1
70.06144	1.6
70.06564	0.9
71.04977	1.6
77.03926	7.2
77.20219	0.4
79.05499	2.6
81.03403	0.4
81.07051	2.9
83.04951	0.4
83.08624	0.4
85.06509	1.3
91.05482	7.5
93.07037	2.2
95.04959	1.9
95.08618	2.7
97.02879	0.5
97.06525	1.4
98.20795	0.4
105.03389	4.6
105.07018	2.3
105.07619	0.4
106.80250	0.4
107.04949	5.6
107.08591	2.3
109.06523	0.9
109.10158	2.8
111.08063	0.8
115.05477	1.0
116.06235	0.8
117.07008	1.0
119.04935	5.5
119.08545	1.2
121.02864	0.6
121.06489	1.6
121.10116	2.9
123.04425	1.9
123.11725	1.8
125.09622	0.6
127.03892	0.4
128.06172	0.7
129.07014	1.8
131.04939	0.7
131.08559	4.3
131.20528	0.3
133.02852	36.8
133.06467	3.0
133.10109	1.4
134.03558	0.6
135.04410	13.9
135.05434	0.8
135.08089	0.5
136.04758	0.5
137.09622	0.4
139.11209	2.0
141.06963	1.7
142.07776	2.1
143.08586	1.7
144.05708	2.1
145.06422	2.5
145.10088	1.0
147.04411	19.3
147.08093	2.9
149.05986	2.6
149.09586	0.6
151.03905	15.9
151.11145	0.4
153.01828	34.7
153.06943	0.6
154.02142	0.9
155.08536	0.8
157.06482	2.1
157.10146	1.8
158.07257	0.8
159.04404	1.1
159.08066	5.6
161.06004	2.0
161.09610	5.1
163.07529	0.6
165.05534	0.5
165.06964	0.5
166.07819	0.5
167.08539	1.2
169.06464	1.1
169.07693	0.7
169.10048	0.4
170.07259	0.8
171.02876	4.8
171.04408	2.7
171.08034	3.7
171.11690	0.5
172.08871	2.0
173.05946	1.1
173.09647	1.8
175.07552	4.6
175.11182	0.7
176.04625	0.7
177.05437	0.7
177.09109	10.5
179.08524	0.6
181.06427	0.4
183.08069	0.7
185.06006	1.3
185.09625	8.7
186.06723	0.9
187.07536	5.8
187.11131	1.9
189.05469	1.4
189.09116	7.6
195.08054	1.8
197.05890	0.4
197.09601	1.1
198.06709	1.2
199.07553	1.1
199.11127	0.5
199.14772	0.5
201.09099	2.8
201.12730	0.5
202.08585	0.8
203.07031	0.7
203.10664	9.1
210.06631	0.4
211.11241	1.3
212.08331	1.6
212.12003	0.5
213.09106	21.7
214.09572	1.4
215.07051	0.4
215.10736	1.4
217.08534	0.9
222.10277	0.5
225.09048	2.0
227.10701	0.9
227.14342	3.0
229.12230	16.4
230.12596	0.4
231.06682	0.4
231.10147	1.9
231.13763	0.9
237.12761	0.9
240.11432	1.2
241.08429	0.4
243.13834	2.8
245.15460	0.6
255.06650	0.4
255.10114	0.8
255.13802	7.7
256.13553	0.5
273.04071	1.2
273.07678	20.6
273.11584	3.7
273.14832	100.0
274.07861	1.3
274.15070	3.9
291.15869	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	273.1485
Annotation	(+)-Methallenestrilphenol
Peak:m/z	Relative Intensity
53.03933	0.6
55.01862	1.2
55.05515	1.6
57.03416	0.4
57.07054	0.4
65.03934	0.9
67.05503	3.9
69.03426	0.3
69.07060	0.9
69.81319	1.2
71.04979	0.4
79.05490	2.1
81.07050	2.0
83.04974	0.6
83.08617	0.5
85.06525	0.5
89.38263	0.2
91.05480	5.7
93.07040	4.6
95.04971	6.0
95.08614	1.1
97.06554	0.4
98.20802	0.2
105.07021	2.2
105.54842	0.2
107.04954	4.7
107.08596	0.9
109.06496	0.7
109.10118	0.5
111.08064	0.8
115.05463	0.4
117.07014	1.7
119.04944	3.2
119.08590	1.5
121.06502	1.0
123.04431	0.4
123.08031	0.3
128.06201	0.7
129.07013	1.4
130.07750	0.4
131.04959	0.4
131.08575	2.5
133.06493	0.8
133.10139	0.5
135.04404	0.6
135.08037	0.5
141.06979	0.8
142.07750	1.9
143.08559	2.5
144.09315	0.4
145.06502	0.8
145.10115	1.6
147.04416	1.5
147.08046	1.4
151.03903	0.3
153.01820	3.3
153.06944	0.4
155.08575	1.6
156.09317	0.7
157.06480	0.7
157.10132	2.5
158.07274	0.6
159.04408	0.4
159.08055	1.3
159.11673	0.5
161.05981	0.6
161.09599	0.7
161.13158	0.2
163.03903	25.8
163.11143	0.3
164.04294	0.5
167.08478	1.1
168.09358	0.7
169.06476	0.5
169.10129	0.8
170.07222	0.3
171.08025	1.9
171.11662	0.3
172.08835	2.8
173.06058	0.7
173.09615	1.4
173.13249	0.5
175.03833	0.6
175.07495	1.3
175.11147	0.4
179.08507	1.3
181.10063	0.3
183.08083	0.3
183.11592	0.3
184.08858	0.8
184.12427	0.3
185.09616	8.5
185.13335	0.3
186.06737	0.4
186.10406	0.5
187.03810	0.3
187.07547	2.5
187.11214	2.4
189.05444	0.4
189.09116	1.6
193.10220	0.3
194.10844	0.6
195.08011	0.6
196.08754	0.3
197.05966	0.9
197.09596	1.5
198.06761	0.9
198.10374	0.3
199.03879	0.8
199.07521	0.9
199.11147	1.0
199.14799	0.6
201.09122	2.5
201.12796	1.2
203.10577	0.3
211.07582	0.5
211.11179	2.5
212.08322	1.8
212.11917	1.0
213.05571	0.4
213.09122	3.0
214.09850	1.1
215.10666	2.1
217.04898	0.7
219.10201	0.5
222.10486	0.5
225.09117	3.6
225.12613	0.4
227.10678	0.4
227.14287	2.5
229.12233	29.9
230.12650	0.7
231.13838	1.6
237.12793	0.5
237.16518	0.3
240.11438	2.3
243.13806	5.4
255.10181	0.6
255.13783	4.6
255.17468	0.4
255.25172	0.3
258.07071	0.3
273.14841	100.0
274.07639	0.3
274.15167	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.03943	0.7
55.05503	0.7
65.03934	0.5
67.05498	1.2
71.17352	0.6
79.05487	0.4
81.07066	0.9
83.08611	0.4
91.05489	10.6
93.07045	4.2
95.04968	1.0
105.07034	0.8
107.04961	14.9
119.04945	9.5
119.08623	0.5
128.06284	0.3
129.06984	0.5
129.42757	0.3
131.08565	0.8
135.04430	1.1
142.07802	0.7
143.08592	0.7
145.10130	0.4
147.04428	0.6
153.01813	1.6
155.08571	0.5
157.10127	0.9
159.08083	0.5
163.03912	100.0
164.04250	1.4
171.08110	0.6
172.08826	1.0
185.09613	2.4
187.07579	1.0
187.11137	0.5
189.09164	0.6
197.06174	0.3
197.09700	0.4
199.07677	0.3
199.11162	0.4
201.09135	1.3
203.52484	0.3
212.08292	0.5
212.11890	0.5
213.09064	1.0
214.09879	0.4
215.10695	0.7
225.09108	0.9
227.14215	0.6
229.12236	8.8
231.13725	0.4
240.11400	0.6
243.13823	1.4
255.13792	1.3
273.07425	1.5
273.14877	32.3
273.18195	1.2
274.15280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	2beta-5,7-Trihydroxyflavanone
Peak:m/z	Relative Intensity
53.03934	0.5
55.01865	0.6
55.05279	0.3
55.05513	2.7
56.50889	0.3
57.07074	0.7
60.26959	0.3
62.08207	0.3
65.03928	0.7
65.41460	0.3
67.01868	4.3
67.05489	1.1
67.05818	0.4
68.99790	2.3
69.03434	2.5
69.07056	1.3
70.06557	0.4
70.99328	0.6
70.99653	0.4
71.04974	0.7
77.03925	3.5
79.05499	1.9
81.03407	1.0
81.07056	2.2
83.04969	0.5
84.08157	0.4
85.02911	0.7
85.06539	1.8
86.09715	0.5
91.05479	6.4
93.07038	1.7
95.04983	2.0
95.08595	1.5
97.02879	1.3
97.06516	0.7
103.05458	0.9
105.03398	2.1
105.07024	1.7
107.04967	4.2
107.08593	1.1
109.02872	0.5
109.06485	0.9
109.10184	1.7
111.00793	0.6
111.04408	0.5
115.05466	0.8
116.06239	0.4
117.07011	0.7
119.04940	11.7
119.08572	1.5
121.02869	0.7
121.06486	1.8
121.10143	1.2
123.04411	3.1
123.11697	1.2
125.02333	0.6
127.03905	0.6
128.06242	0.8
129.01805	0.4
129.06992	1.3
131.04910	0.7
131.08600	2.1
131.12755	0.4
133.02852	15.3
133.06494	1.2
133.10146	0.7
135.03407	0.5
135.04411	6.3
137.05922	0.4
139.11128	0.7
141.07011	1.1
142.06825	0.3
142.07758	2.4
143.08548	1.5
144.05710	1.3
145.06487	1.8
145.10118	0.9
147.04405	29.2
147.07988	2.3
148.04840	0.4
149.05975	1.1
149.09605	0.5
149.21451	0.3
151.02739	0.7
151.03908	8.0
151.11159	0.3
152.06175	0.4
153.01823	72.0
153.06874	0.6
154.02165	1.1
155.08565	1.2
156.09293	0.5
157.06473	1.8
157.10121	2.6
158.07274	0.5
159.04416	1.2
159.08052	3.1
159.09158	0.6
161.06000	1.7
161.09618	2.4
167.08617	1.4
169.06468	0.8
170.07266	0.8
171.02922	14.3
171.04419	2.9
171.08084	2.1
172.08754	2.3
173.05968	0.9
173.09634	1.3
175.07578	2.8
177.05461	0.7
177.09119	3.6
179.03357	1.2
179.08554	0.8
181.06514	0.6
183.08052	0.8
184.08818	0.5
185.06007	0.9
185.07352	0.4
185.09610	9.4
186.06715	0.6
187.07523	4.0
187.11171	1.5
189.05447	1.0
189.09102	8.9
191.07048	0.4
195.07997	2.1
197.09599	0.9
198.06721	2.3
199.07570	1.1
199.11118	0.4
199.14883	0.4
201.05484	0.4
201.09073	3.5
201.12724	0.5
202.08578	0.7
203.07034	0.7
203.10643	4.5
211.07538	0.4
211.11197	1.3
212.08363	1.4
213.09105	26.5
214.09799	0.6
215.07178	0.4
215.10666	1.4
217.08440	0.6
222.10594	0.4
225.09142	2.1
227.08592	0.5
227.10596	1.6
227.14299	2.8
229.12241	17.8
230.09425	0.7
231.06697	0.6
231.10202	1.1
231.13788	1.4
237.12737	1.1
240.11557	1.7
243.13869	2.9
245.09215	0.4
245.15402	0.4
255.06859	0.4
255.09982	1.6
255.13792	5.5
258.12662	0.5
273.07596	50.3
273.11533	3.4
273.14822	100.0
274.07825	1.1
274.15051	0.9
278.93719	0.4
291.15933	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.02373	0.4
53.03933	0.8
55.01859	0.5
55.05495	1.2
57.07065	0.8
58.05571	0.4
59.30336	0.3
63.71781	0.4
65.03930	0.6
67.01525	0.4
67.01860	4.0
67.05506	3.6
68.99783	2.1
69.03435	1.7
69.07052	1.5
71.04994	0.6
71.17486	0.8
77.03913	0.9
79.05497	3.2
81.03403	0.7
81.07055	5.7
83.01320	0.4
83.08623	0.7
86.12388	0.3
91.05479	7.7
93.03389	0.4
93.07032	2.2
93.82613	0.3
95.04971	4.6
95.08607	4.3
97.02859	0.8
103.05478	0.4
105.03374	1.0
105.07029	1.8
107.04960	3.6
107.08575	1.6
109.10153	10.0
111.00774	0.4
117.07005	0.8
119.04939	14.9
119.08569	1.3
120.05284	0.4
121.02895	0.6
121.06504	1.5
121.10130	2.2
123.04443	4.4
123.11703	7.8
125.02235	0.3
127.03921	0.7
128.06206	0.4
129.07010	0.4
131.08560	1.2
133.02849	4.2
133.06497	1.4
133.10136	0.6
135.04417	2.2
135.11691	1.0
143.08554	0.7
145.06480	0.7
145.10127	0.6
147.04407	41.6
147.07961	0.9
147.11690	0.4
148.04715	0.6
149.02336	0.5
149.06021	0.7
149.13260	0.5
151.03897	46.6
152.04332	0.5
153.01822	100.0
154.02167	1.5
155.08553	0.6
157.06555	0.4
157.10135	0.9
159.08031	0.9
159.09250	0.4
160.07562	0.8
161.09676	1.0
163.03915	0.4
165.05472	1.6
167.03310	0.7
167.08635	0.4
171.02902	8.5
171.04285	0.4
171.08092	1.1
173.09650	0.7
173.13257	0.5
175.03911	0.7
175.07527	0.8
177.05450	0.7
177.09067	0.9
177.10406	0.5
179.03400	1.1
179.07033	0.6
181.06488	1.1
183.08147	0.3
185.09566	0.7
185.13469	0.3
187.07523	0.8
189.05418	2.0
189.09074	1.1
191.06999	0.5
195.08000	0.4
197.13280	0.5
198.06668	0.6
199.07582	0.9
199.11243	0.4
203.07008	1.3
203.10704	1.1
213.09116	1.8
213.12737	0.5
217.08582	3.7
226.32346	0.3
227.10838	0.4
227.14253	0.7
231.06567	1.4
231.10217	0.8
241.08658	0.9
243.06580	0.5
255.06499	0.6
255.13736	1.6
273.07565	76.5
273.14771	16.3
273.18430	1.8
273.25897	1.0
274.07944	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	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.02394	0.3
53.03951	0.7
55.01891	0.9
55.05528	1.1
57.07082	0.7
65.03953	1.0
67.01868	6.8
67.05505	3.3
67.05836	0.3
68.99793	3.4
69.03430	2.2
69.07059	1.3
69.29856	2.0
71.30057	0.3
77.03955	0.9
79.05496	2.9
81.03436	1.0
81.07059	4.5
83.01340	0.4
83.08649	0.6
83.46531	0.3
87.72945	0.3
91.05481	10.0
93.07041	1.8
95.04955	3.8
95.05460	0.3
95.08612	3.1
97.02891	1.6
97.10115	0.3
98.20715	0.5
99.72775	0.3
100.27032	0.3
102.61067	0.3
103.05480	1.1
105.03413	1.0
105.06997	1.6
107.04959	3.9
107.08632	1.3
109.10151	6.4
109.10835	0.5
111.00826	0.7
111.04413	0.6
115.05479	1.0
117.07030	1.1
117.85493	0.2
118.04150	1.0
119.04945	17.9
119.08581	1.0
120.05622	0.3
120.12202	0.2
121.02903	0.5
121.06503	2.1
121.10148	2.1
123.04430	3.7
123.11711	4.3
125.02354	0.7
127.03904	0.4
128.06210	1.8
129.01868	0.7
129.07013	2.0
130.04184	0.5
131.04948	2.2
131.08566	1.0
132.70874	0.3
133.02849	3.4
133.06505	0.9
133.10149	0.6
135.04437	1.7
135.11685	0.7
139.05458	0.5
141.06972	2.9
142.07751	3.2
143.08563	1.3
144.05716	1.3
145.06479	1.2
145.10130	1.0
147.04410	36.4
148.04787	0.5
149.05981	0.7
149.13245	0.4
151.03909	29.3
152.04248	0.3
152.06190	3.6
153.01826	100.0
153.06978	5.7
154.02138	1.3
155.03566	0.3
155.04890	0.7
155.08482	1.4
156.05672	0.4
156.09343	0.4
157.06483	3.8
157.10193	1.3
158.07260	0.4
159.04401	0.5
159.08032	1.0
160.05225	0.3
161.05980	0.6
161.09689	0.5
163.03888	0.3
165.05435	1.1
165.06987	3.0
166.07732	0.7
167.07108	0.7
167.08548	3.2
168.05627	0.6
169.06479	3.6
170.07286	5.1
171.02895	17.3
171.04308	0.6
171.08070	2.0
171.11726	0.4
172.03291	0.4
172.05142	0.3
173.05991	0.8
173.09554	0.3
174.06738	0.4
175.03937	0.9
175.07494	0.8
175.11005	0.4
176.04620	1.2
177.05530	0.4
177.07014	0.6
177.09021	0.6
179.03375	1.3
179.08647	0.3
180.05728	0.5
181.04909	0.8
181.06429	3.8
182.07234	1.0
183.04404	0.6
183.08049	3.0
184.05142	0.7
184.08894	1.6
185.06068	0.7
185.09628	6.7
186.06773	0.4
187.07498	1.7
187.11220	0.3
189.05496	2.2
189.09068	0.8
191.07025	6.3
194.07243	0.9
195.08051	5.8
197.05997	3.6
198.06757	15.6
199.03790	0.5
199.07545	3.6
201.05522	0.7
201.09135	0.7
203.06969	0.7
203.10657	0.8
209.05969	0.6
210.06804	0.5
211.03938	0.3
211.07610	1.8
212.04730	0.4
212.08278	2.2
213.09114	18.8
213.79488	0.3
214.09598	0.6
215.07036	2.6
216.07797	1.4
216.39905	0.3
217.08644	2.6
218.05630	0.3
223.07449	0.6
225.05443	1.1
226.06248	3.6
227.06990	1.9
227.10770	0.3
227.14182	0.6
228.04150	0.6
229.08495	0.8
229.12059	0.5
230.09332	2.5
231.06436	1.0
231.10149	4.8
240.07857	1.3
241.08588	16.5
242.09218	0.9
243.06529	4.8
245.06352	0.4
245.11723	4.8
255.10045	1.0
255.13786	1.1
257.08002	0.7
258.08920	3.9
273.07483	62.9
273.11084	29.4
273.14694	11.4
273.18164	1.1
273.25717	1.4
274.07358	3.2
274.11197	0.6
281.06421	0.3
291.15927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
58.30027	0.3
65.03952	0.2
67.01866	5.2
67.05524	0.3
68.99786	2.2
69.03416	0.9
69.48048	1.8
69.48454	0.5
72.66947	0.2
79.01830	0.4
81.03410	0.4
81.07035	0.4
83.01339	0.5
91.05480	4.9
95.04994	1.5
97.02880	1.2
98.21478	0.4
101.45073	0.3
107.04955	2.0
111.00832	0.5
119.04942	14.6
121.02871	0.3
121.06524	0.9
123.04425	3.1
125.02331	0.5
127.03919	0.4
129.01823	0.5
147.04407	34.7
148.04712	0.4
151.03935	1.5
153.01825	100.0
154.01077	0.4
154.02138	1.8
171.01390	0.5
171.02885	10.0
179.03423	1.2
189.05447	0.6
231.06599	0.6
243.12259	0.3
255.06503	0.6
258.76410	0.3
273.07568	53.3
274.07938	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01854	0.3
57.47272	0.3
60.74575	0.2
64.93382	0.3
67.01866	5.7
68.99784	3.1
69.03423	1.2
69.42258	2.3
79.01879	0.3
80.36082	0.3
81.03428	0.4
81.07112	0.3
83.01337	0.6
85.02890	0.4
91.05486	5.2
92.61012	0.3
95.04959	1.4
97.02880	1.7
98.21539	0.6
105.03371	0.8
107.04959	2.3
109.77689	0.3
111.00810	0.9
115.75465	0.3
119.04943	14.0
121.02860	0.4
121.06519	1.1
123.04419	3.3
125.02337	0.6
127.03917	0.3
129.01831	1.0
131.56796	0.2
133.02858	0.3
147.04407	35.1
148.04720	0.8
151.03893	0.9
151.44032	0.3
153.01826	100.0
154.02190	1.1
171.02888	13.0
179.03423	1.3
189.05470	0.7
195.02846	0.4
231.06511	0.4
255.06491	1.1
273.07568	62.1
274.07916	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
67.01864	5.3
68.99784	2.7
69.03429	1.3
69.12182	0.3
70.87205	0.9
77.03504	0.4
80.30952	0.4
81.03438	0.5
83.01330	0.5
91.05476	6.8
93.96713	0.3
95.04966	2.0
97.02894	1.3
106.66249	0.3
107.04960	2.3
111.00809	0.5
119.04943	15.7
121.02924	0.4
121.06487	1.0
123.04439	3.0
125.02303	0.6
127.03892	0.4
129.01819	0.7
147.04408	34.8
148.04745	0.5
151.03926	0.6
153.01826	100.0
154.02150	1.2
168.07832	0.3
171.02899	9.7
171.04306	0.3
179.03436	0.9
189.05542	0.7
231.06441	0.4
255.06453	0.4
273.07568	52.9
274.07883	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0916
Annotation	Xanthoxoline
Peak:m/z	Relative Intensity
64.79796	0.3
71.17915	0.5
71.18257	0.5
74.72836	0.3
81.07038	0.4
82.37268	0.3
92.64841	0.4
112.07600	0.8
138.02077	0.3
144.44978	0.3
153.01831	0.5
183.06812	0.4
184.07527	0.5
187.80499	0.3
199.06593	0.3
200.07095	2.0
201.07727	0.7
212.07068	1.8
214.04985	3.7
227.05888	0.5
228.06509	2.6
229.07339	23.8
230.07747	0.7
240.06546	0.4
242.04486	1.2
244.09731	0.6
256.06009	0.4
257.06836	28.4
258.07187	0.5
272.09171	100.0
273.09607	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	273.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66259	0.3
55.01869	0.7
55.05510	0.4
65.03927	0.6
67.01870	4.7
68.99789	2.0
69.03423	1.6
69.30267	3.4
71.01407	0.3
74.71927	0.3
79.01864	0.5
81.03412	0.4
81.07053	0.4
84.08138	0.6
85.02921	0.5
86.09715	0.5
91.05487	6.6
95.04964	2.3
97.02901	1.3
107.04945	2.2
109.10162	0.5
110.60871	0.3
111.04452	0.4
115.05448	0.5
119.04945	16.1
121.06480	1.1
121.10070	0.4
121.67432	0.4
123.04433	3.1
125.02311	0.4
129.01845	0.4
133.02856	1.0
135.04399	0.4
144.08096	1.6
147.04411	39.8
149.06021	0.4
151.03934	2.1
153.01831	100.0
154.02162	1.3
157.97432	0.4
159.08107	0.4
161.05919	0.4
171.02892	10.8
171.04002	0.4
172.07541	2.4
175.07419	0.4
179.03419	0.8
185.06033	0.5
189.05440	0.7
189.09079	0.3
202.08646	4.1
203.07124	0.4
203.10771	0.4
207.06511	0.4
213.09181	2.0
224.10690	0.6
226.08649	1.2
227.06978	0.4
231.06615	0.7
231.10179	0.6
241.10788	0.4
255.06567	0.6
255.17831	0.6
256.13443	2.8
273.07581	71.2
273.14813	1.4
274.07996	2.3
274.14368	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	272.0915
Annotation	Xanthoxoline
Peak:m/z	Relative Intensity
60.73674	0.3
61.24030	0.3
71.17803	0.8
95.99284	0.3
115.69140	0.4
172.07521	0.5
180.00089	0.3
186.05505	0.4
199.06281	0.5
200.07097	1.9
200.89407	0.4
201.07832	2.5
214.04953	5.7
215.05556	0.3
227.05879	0.3
228.06589	2.1
229.07350	8.8
230.07834	0.4
239.05640	0.5
244.09525	1.6
256.05905	0.7
257.06830	41.7
258.07095	0.9
272.09167	100.0
273.09586	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	271.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02181	0.9
55.05502	8.4
57.07059	4.3
67.05509	10.7
69.07069	14.3
69.72801	5.7
71.08630	1.3
79.05476	6.6
81.07056	17.5
83.08618	3.3
91.05470	11.5
93.07042	24.0
95.04956	1.2
95.08058	1.6
95.08602	16.6
97.10148	2.9
105.07027	24.3
107.08582	18.6
109.10158	19.6
117.06992	7.2
119.08575	14.3
121.10139	10.9
123.11732	7.7
125.13310	1.4
130.07779	1.0
131.08556	16.3
133.10124	33.8
135.11691	18.8
137.13248	2.3
142.15103	0.9
143.08548	2.0
144.09402	0.9
145.10127	12.2
147.11684	14.3
149.13245	9.8
153.01862	2.5
157.10101	2.3
158.10814	0.9
159.11673	9.2
161.13274	7.2
163.14810	5.6
172.12518	1.0
173.13286	9.0
175.14772	6.2
177.16484	1.8
185.13263	2.3
187.14781	14.3
189.16383	3.0
199.03871	1.1
201.16385	9.3
203.62326	1.1
213.16423	2.0
215.17950	16.7
228.18727	1.8
229.19427	4.4
233.67601	0.9
243.21138	1.2
271.06021	10.9
271.24203	100.0
272.09128	1.8
272.24640	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	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
50.90228	1.8
53.26601	1.5
55.05515	15.1
57.07066	7.0
63.35066	1.5
65.03910	1.8
66.13892	1.6
67.05506	21.6
69.07073	26.7
69.20205	11.4
69.20638	7.3
70.37507	1.5
71.08608	2.2
79.05148	1.3
79.05510	11.7
81.07054	33.9
83.08635	8.1
91.05490	21.8
93.07043	33.0
95.08609	29.1
97.10154	6.9
103.72063	1.9
105.07027	34.5
107.08587	32.7
109.10156	25.6
111.85057	1.7
117.07021	13.8
119.04951	2.0
119.08585	27.1
121.10134	19.9
123.11692	9.4
129.07042	3.1
131.08565	31.2
133.10129	31.2
135.11690	21.3
137.13306	2.2
137.70325	1.6
143.08559	3.0
144.09299	2.7
144.10292	1.7
145.10107	30.9
145.23308	1.7
147.11696	23.7
149.13225	9.8
153.01764	1.9
157.10162	2.0
159.11703	21.3
160.43994	1.9
161.13295	8.4
163.14784	4.8
171.11664	1.8
173.13264	14.8
175.14821	10.1
177.16380	2.8
187.14804	22.2
189.16386	7.0
199.03954	2.8
199.14845	2.5
201.16397	13.7
204.59132	2.0
213.41998	1.8
213.61272	1.8
215.17946	19.6
229.19540	5.5
271.06012	78.4
271.09265	3.5
271.13443	3.3
271.16611	2.6
271.24207	100.0
271.28214	9.4
272.06256	5.0
272.09256	6.2
272.24509	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	271.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06043	1.5
55.05507	8.4
57.07057	3.0
67.05507	12.7
69.07063	18.0
79.05490	9.3
81.07054	20.6
81.59749	1.8
83.08601	4.5
84.08552	1.7
90.86229	1.8
91.05473	13.4
93.07045	22.3
93.88496	1.6
93.89090	1.7
95.08607	20.4
97.10160	2.0
98.71814	2.2
104.40395	1.7
105.07027	25.0
105.14884	1.5
107.08587	20.3
109.10149	24.5
114.73865	1.7
117.07012	7.8
119.04877	3.2
119.08591	18.4
121.02875	1.6
121.10131	16.4
123.11713	10.7
126.97209	1.6
129.07013	1.9
131.08589	11.8
133.10135	18.3
135.11688	17.3
137.13261	3.2
143.08594	1.9
145.10109	13.7
147.04436	2.0
147.11678	19.8
149.13228	9.8
149.40517	1.8
153.01836	9.6
157.10039	2.5
159.11652	12.5
161.13261	13.1
163.03867	1.6
163.14848	8.8
173.13309	10.3
175.14828	6.8
177.16425	2.0
185.13190	2.7
187.14810	16.7
189.16403	5.1
201.16365	10.6
203.03246	1.8
215.17934	17.2
229.19479	4.2
253.08678	1.9
271.06009	61.1
271.09164	2.9
271.24194	100.0
272.06265	3.8
272.09119	3.2
272.24527	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	271.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.1
53.03935	2.5
55.01864	4.0
55.05271	1.2
55.05496	5.9
57.07061	2.0
61.82106	1.2
65.03914	1.6
67.05505	12.7
69.03426	2.6
69.07069	8.9
70.06203	2.4
70.06592	49.8
70.38239	2.2
70.38634	1.7
71.04987	3.9
72.08145	1.1
77.03931	9.7
79.05490	9.2
81.03410	4.0
81.07060	12.9
83.04961	3.3
83.08646	1.2
84.08121	1.7
85.02886	1.6
86.09705	27.3
87.37743	1.1
91.05476	19.4
93.07016	9.4
95.04955	5.4
95.08603	19.6
96.05342	1.2
97.06507	2.4
101.10122	1.2
103.05447	3.4
105.03394	5.5
105.07033	11.8
107.04951	9.0
107.08587	9.6
109.02857	3.5
109.10149	11.9
110.03183	1.4
115.05423	2.4
116.07092	100.0
117.07030	3.6
119.04936	4.8
119.08561	4.7
121.02879	1.8
121.06508	4.6
121.10125	10.6
123.04433	1.2
123.08060	2.3
127.11160	1.3
128.06209	4.5
128.10707	14.7
129.06992	4.9
131.04939	3.3
131.08575	4.7
133.01839	2.1
133.02852	42.0
133.06490	4.8
133.10117	5.0
134.03571	2.6
135.04414	33.0
135.08022	1.8
135.11678	1.4
137.05948	1.6
137.09608	3.6
137.13255	1.2
141.06956	3.8
143.08540	2.9
144.05690	3.8
145.06511	7.9
145.10109	4.9
147.04399	14.6
147.08064	5.2
147.11687	1.7
149.02348	2.3
149.05943	5.5
149.09723	2.6
151.03905	31.2
152.06149	2.2
153.01880	1.9
153.06970	4.6
154.07793	1.4
155.06061	1.6
155.08495	5.4
156.10217	1.3
157.06496	6.1
157.10136	1.5
158.07257	5.6
159.04453	3.4
159.08040	4.5
161.06004	3.2
161.09648	2.2
163.03918	2.1
163.14174	1.1
165.05661	1.8
165.06998	9.7
167.08568	2.5
168.05722	2.5
169.06470	2.8
169.10071	1.5
171.04271	1.2
171.08031	6.2
173.05940	5.1
173.09612	3.5
175.03867	5.2
175.07558	4.4
176.04688	1.7
177.05487	1.6
181.06433	4.2
182.07237	2.3
183.07991	11.4
185.05972	3.8
185.09631	4.4
187.03928	5.0
187.07521	4.3
189.05466	6.5
191.07024	1.5
193.06453	1.9
196.08961	1.3
197.05910	2.9
197.09569	2.9
199.07571	2.8
201.05496	2.5
201.07297	2.0
201.09102	23.4
205.05002	4.2
210.10345	2.5
211.07610	10.8
211.11171	2.3
213.09068	10.6
215.07051	5.5
221.05882	1.3
224.25031	1.4
225.12787	4.1
227.10727	2.6
227.14238	1.9
228.07869	1.9
229.08504	6.1
235.11104	1.7
239.07040	1.8
243.10330	1.4
243.13815	3.7
253.12233	11.6
271.06018	20.4
271.09796	16.8
271.13281	73.0
271.16452	2.8
271.24292	2.5
272.06259	1.6
272.10242	1.6
272.13541	3.5
289.14276	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	271.1328
Annotation	Conferol B
Peak:m/z	Relative Intensity
50.50012	0.8
51.02361	1.4
53.03928	3.0
55.01860	3.1
55.05513	7.3
57.07059	1.2
65.03928	2.3
67.01869	1.0
67.05505	17.7
67.05859	0.6
69.03422	1.3
69.07066	5.8
69.24203	6.7
69.24615	1.3
71.04999	1.4
77.03483	0.8
77.03930	13.0
79.05081	1.2
79.05498	18.2
79.49147	0.8
81.03414	2.1
81.07053	14.6
83.04989	1.9
83.08625	0.9
85.06498	1.3
91.05479	18.3
93.07042	10.8
95.04964	7.8
95.08608	55.2
96.36185	0.8
97.06547	1.6
97.10170	1.2
97.42444	1.0
98.21535	1.8
103.05458	3.2
105.03387	6.6
105.04507	1.7
105.07040	11.7
107.04950	16.7
107.08593	12.4
109.02885	1.0
109.06493	1.4
109.10158	28.5
115.05428	3.9
117.07000	4.6
119.04959	5.7
119.08587	7.1
121.02872	2.3
121.06516	4.9
121.10142	17.5
123.04402	1.3
123.08080	1.9
123.11705	2.7
128.06224	3.0
129.06996	3.7
131.04913	4.6
131.08563	4.4
132.05670	1.1
133.02855	48.6
133.06494	5.7
133.10129	5.1
134.03630	2.9
135.04411	100.0
135.11682	3.1
136.04770	0.9
137.06033	1.6
137.09608	3.5
141.06969	3.7
142.07771	1.2
143.08557	3.1
144.05685	3.6
145.02882	1.8
145.06482	11.0
145.10153	2.3
147.04413	13.2
147.05536	1.4
147.08044	11.5
147.11687	2.4
149.02341	8.4
149.05984	10.6
149.13269	1.5
151.03903	46.7
152.06137	1.4
153.01871	4.1
153.07004	3.7
154.07823	1.2
155.06044	1.6
155.08582	4.4
157.06488	4.1
157.10120	1.7
158.07269	1.6
159.04385	2.5
159.08044	7.3
159.11729	2.6
161.05893	4.3
161.09648	1.8
161.13255	2.1
163.03868	1.8
163.07571	1.9
163.14835	1.0
165.05530	2.8
165.07008	7.9
166.07843	1.4
167.03432	6.4
167.08566	1.8
168.05739	1.9
169.06454	2.3
169.10205	1.4
170.07208	0.9
171.02908	1.3
171.08063	5.0
173.05959	7.6
173.09590	6.8
173.13324	1.4
175.03954	2.6
175.07541	5.1
175.14807	1.1
176.04683	1.2
177.05440	1.8
181.06465	2.6
181.10124	1.1
182.07259	1.3
183.08012	7.8
185.05988	1.7
185.09642	4.6
187.03899	1.3
187.07571	5.5
189.05453	3.1
189.09128	2.1
191.07022	1.8
195.08105	2.8
196.08859	1.7
197.06007	1.2
197.09674	1.8
199.07547	1.1
199.11180	1.9
201.05457	1.4
201.09088	7.9
203.07170	1.8
205.05020	0.9
207.11681	1.8
210.10420	2.0
211.07549	6.6
211.11223	1.3
213.09094	14.0
215.06978	6.4
215.10562	0.9
215.14317	1.2
215.17943	1.3
217.19586	1.0
221.05917	0.8
225.09129	1.7
225.12743	3.9
227.10666	2.7
229.08615	3.3
243.10201	0.9
243.13821	9.4
253.12250	13.2
271.06039	51.7
271.09732	8.1
271.13257	56.4
271.24280	6.2
272.06345	1.6
272.13409	0.8
289.14346	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	271.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
55.05511	2.1
56.05041	1.5
56.96565	53.4
56.96852	2.5
57.03420	2.3
60.05658	1.6
61.02930	1.7
65.03949	1.7
65.62029	1.1
69.03428	8.0
69.07073	2.4
70.06593	23.2
71.04973	2.0
71.06917	1.5
71.52013	2.1
71.95251	3.5
72.08159	5.2
72.96038	3.6
73.02917	2.7
74.97626	1.1
81.03411	1.3
81.04558	1.5
81.07085	1.2
83.04984	1.2
83.97636	1.3
84.04516	2.3
84.08140	11.4
84.60667	1.2
84.96019	4.6
85.02909	9.2
86.09705	8.1
87.04458	1.1
92.04996	7.3
93.04514	1.2
95.01339	3.2
95.04993	1.2
95.06094	2.0
97.02895	4.6
97.38741	1.1
97.99136	1.3
98.06040	1.1
98.97581	100.0
99.04445	1.7
101.00871	1.2
106.02863	1.2
109.02868	2.6
110.06043	11.2
110.07158	11.0
110.97591	2.5
112.99180	1.9
116.00251	1.5
116.07080	1.5
116.98620	69.1
119.01897	4.5
119.04963	1.8
123.04442	3.3
126.02220	1.3
127.03947	2.1
128.02328	2.1
128.10777	1.3
128.98633	3.2
129.10271	5.1
130.86113	1.0
130.93294	5.5
131.00172	1.8
131.01852	1.4
133.01833	1.2
134.01312	1.4
134.06052	1.5
134.99660	33.5
135.00668	1.9
139.05058	1.3
140.00203	3.1
140.03624	1.3
141.01872	1.4
142.01866	1.4
143.00191	2.6
145.03441	1.5
146.99692	1.9
147.04362	1.8
148.94356	1.2
150.05490	1.1
152.07079	3.7
153.00720	4.3
154.03845	1.5
158.01263	2.5
158.04938	4.7
158.99623	5.8
159.03044	1.3
160.06447	6.5
161.01292	1.8
161.02991	1.1
163.02759	1.9
163.04375	1.2
169.03287	1.2
170.05096	1.6
171.03279	2.6
172.94321	5.9
173.09207	1.8
174.99167	1.3
176.05948	1.4
177.00731	3.4
177.04263	2.6
178.07570	3.0
188.05986	3.1
189.00690	1.8
189.04321	12.1
190.04817	1.1
190.06642	1.1
190.95418	10.9
190.98648	1.1
201.00740	1.5
202.07428	1.2
205.03764	1.2
206.07002	8.6
207.05443	7.5
208.96480	4.8
212.05940	1.3
216.96986	3.9
216.98840	2.3
218.03403	1.2
219.01794	2.1
224.08047	11.7
225.14314	2.3
230.03508	1.7
230.06979	24.9
231.05473	1.9
232.96512	5.8
234.97997	2.5
237.02725	1.3
239.02316	1.3
246.94434	1.4
248.08058	66.6
248.99242	3.9
250.97523	1.8
262.51611	1.2
264.95316	2.4
266.09161	6.8
267.00217	2.7
270.14340	1.8
271.06165	4.9
271.09711	3.3
271.14566	2.2
272.11264	3.8
288.99017	2.0
289.07516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.133
Annotation	Conferol B
Peak:m/z	Relative Intensity
51.02359	1.4
53.03933	3.1
55.01851	2.5
55.05521	6.4
57.03436	1.8
65.03922	2.1
67.05183	1.1
67.05506	16.4
69.03421	1.6
69.07046	4.8
69.73702	6.5
71.04992	1.9
77.03931	18.3
78.65688	1.0
79.05067	1.6
79.05495	21.5
81.03384	1.3
81.07064	14.0
83.04972	1.7
83.08572	1.0
85.06563	1.7
91.04989	1.3
91.05491	18.7
93.07037	10.2
95.04972	10.6
95.08610	54.0
97.06509	2.8
100.99491	1.1
103.05446	3.7
105.03400	7.7
105.04447	1.4
105.07044	12.8
106.04161	2.0
107.04953	18.3
107.08572	10.3
107.14304	1.2
109.06441	1.3
109.10159	24.3
115.03252	1.2
115.05434	2.8
117.07003	2.9
119.04919	3.1
119.08538	5.0
121.06488	4.7
121.10162	19.2
123.04422	2.3
123.08037	2.0
125.09611	1.5
127.11172	1.5
128.06194	3.6
129.06970	2.9
131.04903	4.3
131.08536	2.8
132.52664	1.2
133.02861	50.9
133.06467	6.8
133.10092	4.7
134.03629	2.6
135.04422	100.0
137.05882	1.4
137.09605	3.1
141.06982	3.0
143.08524	2.1
144.05693	3.3
145.02850	1.3
145.06470	9.5
145.10086	1.4
147.04411	10.1
147.05453	1.9
147.08066	13.3
147.11678	1.1
149.02357	1.8
149.05983	8.7
149.09618	2.0
151.03911	60.5
152.06236	1.3
153.06935	2.5
155.08540	3.6
157.06450	3.2
157.10117	2.0
158.07312	2.3
159.04384	3.4
159.08078	7.6
161.05954	3.2
161.09598	2.4
163.07544	2.7
165.05551	2.4
165.06972	6.7
166.07684	1.5
167.08516	2.0
168.05632	2.2
169.06461	2.5
170.07213	2.6
171.08058	4.7
173.05995	6.7
173.09618	6.4
175.03894	2.7
175.07501	4.7
179.08580	1.2
181.06403	3.6
181.10098	1.4
183.08028	7.1
185.09612	5.6
187.07494	6.3
187.11183	1.1
187.14975	1.2
189.05414	1.2
189.09053	2.6
195.08015	3.6
196.08681	1.1
197.05937	1.6
197.09660	2.0
199.11229	1.5
201.09059	5.9
210.10431	2.2
211.07571	6.0
211.11276	1.5
213.09137	14.6
215.06989	4.0
215.14272	2.6
225.12735	5.1
227.10674	4.1
227.14059	1.4
229.08578	2.5
235.11072	1.7
243.10098	1.3
243.13847	10.6
244.14705	1.2
253.12285	11.0
271.06070	12.9
271.10281	3.2
271.13269	53.6
288.73508	1.1
289.14285	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	271.0964
Annotation	Imperatorin
Peak:m/z	Relative Intensity
55.05514	0.5
61.64530	0.3
65.03930	0.3
67.05516	1.1
69.07066	20.3
69.73816	1.4
77.03918	0.2
79.05490	0.4
81.07069	1.2
83.08621	0.4
91.05485	2.2
93.07054	0.5
95.04954	0.3
95.08601	0.9
98.21490	0.4
103.05466	1.1
105.07019	0.9
107.08590	1.0
109.10162	0.7
117.07021	0.4
119.04952	0.8
119.08553	0.6
121.10114	0.4
123.11681	0.6
129.03374	1.8
131.04926	7.8
131.08546	0.8
133.02852	0.6
133.10127	0.8
145.10104	0.9
147.04407	32.4
148.04726	0.4
149.13248	0.2
154.34740	0.2
157.02841	2.6
159.04401	2.6
159.11696	1.1
161.13232	0.5
173.13251	1.2
174.03151	0.3
175.03912	10.2
185.02353	2.5
187.14861	1.4
189.16341	0.3
201.16341	0.7
202.02609	0.6
203.03387	100.0
204.03696	1.8
209.85600	0.3
215.03406	1.1
215.17950	0.6
229.05019	0.7
271.06000	2.2
271.09531	1.1
271.13113	0.5
271.16873	0.3
271.24188	3.1
272.08972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
55.05521	0.7
57.03452	0.4
59.11771	0.4
65.03952	0.6
67.05505	1.3
69.07066	5.7
69.79835	1.6
79.05508	1.0
81.07069	1.6
83.08635	0.5
86.37800	0.5
91.05483	3.9
92.40273	0.4
93.07037	0.8
95.04954	0.5
95.08617	1.2
103.05476	1.7
105.07040	1.1
107.08604	0.9
109.10155	0.8
118.42411	0.4
119.04929	2.6
119.08601	0.9
121.10185	0.4
131.04930	8.3
131.05850	0.7
131.08583	0.5
133.02806	0.4
133.10141	1.0
141.06963	0.8
142.07762	0.5
143.08551	0.8
145.02800	0.5
145.06461	0.5
145.10104	1.0
147.04410	25.1
153.01822	1.7
153.07028	0.4
155.08566	0.9
156.09302	0.5
157.10115	0.6
158.46513	0.4
159.04410	7.0
159.08081	0.6
159.11694	0.5
167.08524	0.5
168.09355	0.7
169.10135	1.1
171.04367	0.5
171.11751	0.8
173.13260	0.4
175.03902	3.4
179.08604	0.5
182.10947	0.6
183.11710	1.7
185.13220	0.9
189.05504	0.6
193.10156	0.5
195.11618	0.5
197.13264	1.4
199.03908	2.2
203.03389	100.0
204.03769	1.6
207.11752	0.7
211.11174	1.1
211.14771	0.9
215.10666	0.8
225.12729	1.2
225.16388	1.4
228.06354	0.6
229.12291	0.5
241.10100	0.4
243.13835	0.5
243.17450	0.5
253.08565	1.2
253.12169	1.2
253.15855	0.8
256.06009	0.9
257.06845	0.8
271.05963	17.3
271.08768	0.8
271.10492	0.6
271.13394	1.8
271.16882	5.2
271.20050	0.6
271.24118	0.8
272.06311	0.7
272.09103	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	271.0963
Annotation	3-Hydroxy-5-methoxystilbene-2-carboxylic acid
Peak:m/z	Relative Intensity
52.80909	1.1
53.03957	1.3
55.01865	4.7
55.05502	3.4
65.03936	3.1
67.01866	3.3
67.05501	13.9
67.38629	1.1
68.99800	1.5
69.03426	1.4
69.07073	2.9
69.45753	10.0
69.46081	2.1
76.44370	1.1
77.03906	2.8
79.05496	3.9
81.07049	4.4
83.04975	9.6
91.05470	12.2
93.07030	3.5
95.04962	4.9
95.08594	4.4
100.54485	1.2
100.66189	1.1
103.05477	8.5
105.03374	1.8
105.07029	6.1
107.04939	3.1
107.08579	2.2
109.02890	1.6
109.06495	3.1
109.10187	3.4
115.05483	3.3
117.07006	2.6
119.04946	7.9
119.08607	2.1
121.02843	3.5
121.06476	2.4
121.10156	4.2
123.04445	1.3
128.06242	3.0
129.07002	4.7
131.04930	32.2
131.08575	2.8
133.01857	1.5
133.02855	20.0
133.06503	1.5
135.04420	10.7
141.06990	4.2
143.08528	2.6
144.05687	1.9
145.02855	2.7
145.06450	6.3
145.10153	3.6
147.04402	22.4
149.02411	2.1
151.03897	18.1
153.01863	11.8
153.06985	5.1
154.07689	2.5
155.08557	13.6
157.06528	2.0
158.07294	3.7
159.04420	35.4
159.08035	3.8
161.05966	3.9
163.03896	20.0
165.05626	1.9
165.07007	4.7
168.05736	4.8
169.06500	4.6
169.10150	2.1
171.02934	1.7
171.04453	1.8
173.05959	5.3
173.09619	6.0
174.03105	2.7
175.03920	8.2
177.05518	3.8
179.08601	2.6
181.06555	1.7
182.07202	2.6
183.08057	21.4
185.05952	4.3
185.09604	1.6
186.06783	3.5
187.03912	56.6
187.07510	16.9
188.04614	1.8
189.05453	7.9
196.05299	1.3
197.05910	5.4
197.09656	3.3
199.07581	2.1
201.05452	6.5
201.09100	53.7
203.03288	6.3
205.04961	28.4
205.18735	1.2
210.06760	8.6
211.07538	71.6
212.08232	8.8
213.05475	1.5
213.09094	1.8
214.06224	2.2
215.07086	1.6
215.10773	2.2
225.05583	1.7
225.09088	24.4
229.08592	63.5
243.10243	5.7
253.08603	32.7
253.12474	1.9
271.06027	100.0
271.09650	87.6
271.13232	14.5
272.06451	3.0
272.10083	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	271.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
55.05507	2.3
57.07078	0.3
58.90698	0.3
61.48368	0.3
65.03935	0.5
67.05515	2.0
67.92814	0.3
69.03413	1.0
69.07089	0.6
77.03925	1.1
79.05514	1.4
81.03408	0.7
81.07049	1.4
83.04968	1.2
83.08631	0.4
91.05489	2.2
93.07050	0.5
95.04948	0.9
95.08597	1.0
97.06519	0.5
98.20787	0.7
103.05454	0.9
105.03358	0.5
105.07006	1.1
107.04942	0.5
107.08582	0.7
109.06529	0.5
109.10162	0.7
115.05425	1.7
117.07066	1.9
117.07730	0.3
119.04977	0.5
121.06507	0.3
121.10133	0.6
128.06201	0.7
129.06958	1.0
131.04924	2.7
131.08543	0.8
133.02852	5.5
133.10118	0.8
135.04414	1.4
141.06975	1.5
142.07762	0.3
143.08572	0.4
144.05699	0.6
145.02853	0.4
145.06474	2.5
145.10127	0.5
147.04404	3.6
147.08040	0.6
149.06027	0.4
151.03897	1.4
153.01843	0.8
153.06929	1.0
154.07826	0.7
154.36340	0.3
155.08539	2.4
157.06447	1.7
158.03667	0.8
159.04445	1.9
159.08066	1.6
159.79597	0.3
161.05942	0.6
163.03915	2.3
165.06996	1.3
167.08531	0.5
168.05606	0.7
169.06459	1.6
169.10075	0.4
171.04449	1.2
171.08093	0.7
172.05217	0.5
173.05956	0.8
173.09656	0.4
175.03947	1.6
175.07590	0.8
177.05505	0.5
181.06393	0.6
182.07246	0.7
183.08076	3.0
184.05133	0.4
185.06018	1.4
185.09488	0.6
186.03120	19.3
187.03931	4.7
187.07619	1.0
188.04596	0.4
189.05467	1.4
191.03471	0.4
193.04955	0.6
195.08099	0.9
197.05971	2.0
199.03903	0.9
199.07642	0.4
200.04698	0.8
201.05473	32.6
201.09145	1.9
202.02611	0.7
202.05861	0.6
203.03413	0.7
205.04971	3.5
210.06769	0.6
211.07591	2.2
213.05473	2.6
213.09105	0.8
214.02614	1.4
214.04831	0.6
215.03336	0.6
215.07037	1.3
215.10786	0.4
216.04266	0.3
217.04973	0.9
225.09096	0.4
225.12778	0.3
227.07030	0.4
228.04153	1.8
228.06064	0.5
229.04967	100.0
229.08659	2.8
230.05284	2.3
239.07114	0.8
240.08080	0.6
241.05009	1.2
243.06529	9.1
243.10245	1.3
244.06409	0.3
253.08600	0.4
253.12231	0.6
256.07361	3.4
257.06836	6.1
271.06110	6.7
271.09653	46.3
271.13184	5.2
272.06366	0.6
272.09174	15.3
289.14117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0962
Annotation	Alloimperatorin
Peak:m/z	Relative Intensity
55.01860	1.0
55.05507	2.3
57.07078	0.3
58.90698	0.3
61.48368	0.3
65.03935	0.5
67.05515	2.0
67.92814	0.3
69.03413	1.0
69.07089	0.6
77.03925	1.1
79.05514	1.4
81.03408	0.7
81.07049	1.4
83.04968	1.2
83.08631	0.4
91.05489	2.2
93.07050	0.5
95.04948	0.9
95.08597	1.0
97.06519	0.5
98.20787	0.7
103.05454	0.9
105.03358	0.5
105.07006	1.1
107.04942	0.5
107.08582	0.7
109.06529	0.5
109.10162	0.7
115.05425	1.7
117.07066	1.9
117.07730	0.3
119.04977	0.5
121.06507	0.3
121.10133	0.6
128.06201	0.7
129.06958	1.0
131.04924	2.7
131.08543	0.8
133.02852	5.5
133.10118	0.8
135.04414	1.4
141.06975	1.5
142.07762	0.3
143.08572	0.4
144.05699	0.6
145.02853	0.4
145.06474	2.5
145.10127	0.5
147.04404	3.6
147.08040	0.6
149.06027	0.4
151.03897	1.4
153.01843	0.8
153.06929	1.0
154.07826	0.7
154.36340	0.3
155.08539	2.4
157.06447	1.7
158.03667	0.8
159.04445	1.9
159.08066	1.6
159.79597	0.3
161.05942	0.6
163.03915	2.3
165.06996	1.3
167.08531	0.5
168.05606	0.7
169.06459	1.6
169.10075	0.4
171.04449	1.2
171.08093	0.7
172.05217	0.5
173.05956	0.8
173.09656	0.4
175.03947	1.6
175.07590	0.8
177.05505	0.5
181.06393	0.6
182.07246	0.7
183.08076	3.0
184.05133	0.4
185.06018	1.4
185.09488	0.6
186.03120	19.3
187.03931	4.7
187.07619	1.0
188.04596	0.4
189.05467	1.4
191.03471	0.4
193.04955	0.6
195.08099	0.9
197.05971	2.0
199.03903	0.9
199.07642	0.4
200.04698	0.8
201.05473	32.6
201.09145	1.9
202.02611	0.7
202.05861	0.6
203.03413	0.7
205.04971	3.5
210.06769	0.6
211.07591	2.2
213.05473	2.6
213.09105	0.8
214.02614	1.4
214.04831	0.6
215.03336	0.6
215.07037	1.3
215.10786	0.4
216.04266	0.3
217.04973	0.9
225.09096	0.4
225.12778	0.3
227.07030	0.4
228.04153	1.8
228.06064	0.5
229.04967	100.0
229.08659	2.8
230.05284	2.3
239.07114	0.8
240.08080	0.6
241.05009	1.2
243.06529	9.1
243.10245	1.3
244.06409	0.3
253.08600	0.4
253.12231	0.6
256.07361	3.4
257.06836	6.1
271.06110	6.7
271.09653	46.3
271.13184	5.2
272.06366	0.6
272.09174	15.3
289.14117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.3
55.01870	0.5
55.05528	0.8
57.07055	0.3
65.03938	0.3
67.01593	0.2
67.01871	1.7
67.05508	1.1
68.99802	1.4
69.03418	0.4
69.07052	0.6
70.68916	0.3
70.69254	0.3
71.04990	0.5
72.08156	0.3
74.46620	0.2
77.03914	0.8
79.05501	0.9
81.03403	0.5
81.07059	1.6
83.04997	0.4
83.08656	0.2
84.08116	0.2
85.02892	0.2
90.78569	0.2
91.05486	2.9
93.07049	0.9
95.04951	0.7
95.08601	2.5
97.02913	0.2
97.06531	0.5
99.04518	0.2
103.05502	0.2
105.03388	0.6
105.07018	0.9
107.04952	0.7
107.08599	1.3
109.06470	0.2
109.10158	1.5
111.00819	0.4
115.05476	0.3
117.07006	0.4
119.04111	0.4
119.04938	5.3
119.08597	0.6
121.02847	2.1
121.06504	0.4
121.10122	0.7
123.11712	0.3
125.02349	0.3
127.11150	0.2
128.06219	0.5
129.01822	0.6
129.07011	0.4
131.04918	0.4
131.08551	0.5
133.02849	3.3
133.06441	0.5
133.10147	0.4
135.04428	3.3
135.11690	0.2
137.06067	0.3
137.09637	0.5
141.07011	0.6
143.08563	0.3
145.02844	1.6
145.06458	0.9
145.10155	0.5
147.04387	1.4
147.08052	0.4
149.02316	0.3
149.05984	0.5
149.09596	0.3
151.03902	2.7
152.06166	0.3
153.01826	11.5
153.06995	0.7
155.08536	0.8
157.06519	0.3
157.10170	0.4
158.07277	0.3
159.04492	0.3
159.08043	0.7
161.06007	0.4
161.09676	0.3
161.13235	0.3
163.03937	1.1
165.06989	1.6
167.03529	0.2
169.06445	0.4
171.02927	1.7
171.08040	0.2
173.06021	0.7
173.09598	0.4
173.13387	0.2
175.03889	0.5
175.07578	0.4
177.05565	0.2
181.06506	0.6
183.08028	1.1
185.05986	0.3
185.09587	0.4
187.03949	0.6
187.07567	0.4
187.10942	0.2
189.05441	0.5
193.06430	0.3
195.08052	0.3
197.06006	0.5
197.09700	0.3
197.13438	0.2
201.05461	0.4
201.09102	1.3
203.07130	0.6
211.07497	1.4
213.09109	0.8
215.07088	0.8
215.10696	0.2
221.05957	0.2
225.05458	0.8
225.09041	0.2
225.12709	0.5
229.05006	0.7
229.08591	0.7
243.06561	0.8
243.10255	0.4
243.13821	0.5
253.04991	0.3
253.12263	0.8
271.06009	100.0
271.13345	5.4
271.24203	0.6
272.06372	2.0
289.14279	0.4
291.10202	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.01862	0.2
55.05497	0.2
55.62804	0.1
56.72918	0.1
59.50358	0.1
67.01862	1.7
67.05487	0.7
68.99795	1.3
69.03424	0.3
69.07050	0.5
69.52326	0.2
69.52728	1.1
70.06573	0.4
71.04968	0.2
72.08117	0.3
73.09545	0.1
77.03910	0.2
79.05476	0.7
81.03414	0.4
81.07046	0.7
83.05006	0.2
84.08144	0.2
85.02894	0.3
86.09725	0.2
91.05479	2.5
92.82092	0.2
93.07005	0.5
95.04978	0.4
95.08604	0.8
97.02870	0.4
97.06529	0.1
105.03394	0.2
105.07014	0.5
107.04935	0.5
107.08597	0.5
109.02840	0.4
109.06498	0.2
109.10137	0.7
111.00803	0.2
115.05436	0.2
116.07023	0.2
116.10744	0.2
117.06960	0.2
119.04939	5.9
119.08573	0.4
120.05367	0.1
121.02856	1.6
121.06489	0.2
121.10175	0.3
123.04465	0.2
127.03895	0.3
127.11146	0.2
128.06247	0.3
129.01848	0.3
129.07022	0.2
129.10181	0.1
131.04906	0.3
131.08536	0.2
133.02834	1.3
133.06505	0.2
133.10117	0.4
135.04404	0.9
137.05994	0.2
137.09604	0.2
141.06981	0.4
145.02829	1.9
145.06476	0.3
147.04387	0.5
147.08052	0.3
149.05957	0.2
149.09520	0.2
151.03951	1.1
152.06175	0.2
153.01819	11.6
153.06898	0.8
155.08568	0.4
155.10649	0.2
157.06450	0.3
159.08034	0.2
159.11693	0.2
163.03885	1.1
165.05682	0.3
165.06981	1.5
168.05679	0.3
169.06470	0.6
171.02892	1.9
171.07951	0.2
173.05971	0.2
175.07582	0.2
179.08543	0.2
181.06470	0.4
182.07336	0.2
183.08008	0.9
185.07178	1.0
185.09550	0.2
187.03841	0.3
189.05466	0.3
189.09042	0.2
197.05983	0.4
198.14874	0.2
200.08276	0.2
201.09099	0.7
203.06955	0.3
211.07533	1.4
212.08485	0.2
213.06593	0.8
213.09056	0.4
215.07031	0.4
221.05997	0.4
225.05476	0.8
225.12779	0.2
226.14441	0.4
229.04962	0.6
229.08482	0.2
235.16919	0.3
242.09261	0.2
243.06424	0.8
243.10228	0.2
247.06041	0.3
253.12210	0.3
271.06006	100.0
271.13370	2.6
272.06409	1.6
289.14383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.03918	0.1
55.05509	0.2
56.15899	0.1
56.39175	0.1
57.07058	0.1
59.14639	0.1
62.83550	0.1
65.03931	0.2
67.01863	1.9
67.05510	0.5
68.99444	0.1
68.99788	1.7
69.07059	0.4
69.31675	0.1
69.31982	1.1
77.03938	0.1
79.01828	0.1
79.05470	0.4
81.03430	0.2
81.07053	1.0
82.35291	0.1
83.08637	0.2
91.05473	1.6
93.03383	0.1
93.07030	0.4
95.04948	0.3
95.08609	0.6
103.05460	0.2
105.03440	0.1
105.07011	0.4
107.04958	0.2
107.08575	0.5
109.02882	0.2
109.06454	0.1
109.10147	0.6
111.00788	0.3
115.05444	0.2
115.74046	0.1
117.06973	0.2
119.04939	4.7
119.08564	0.5
121.02857	2.6
121.06598	0.1
121.10109	0.4
123.08026	0.1
123.11666	0.3
125.02347	0.1
128.06169	0.2
129.01823	0.4
129.07013	0.2
131.04927	0.3
131.08549	0.3
131.41678	0.1
133.02861	1.2
133.10130	0.3
135.04442	0.6
135.05322	0.1
135.08092	0.1
135.11699	0.2
141.06969	0.3
144.05704	0.1
145.02835	2.6
145.06451	0.3
145.10092	0.3
147.02795	0.1
147.04372	0.4
147.08046	0.2
147.11697	0.3
149.02370	0.5
151.03914	0.5
151.44868	0.1
153.01825	12.1
153.06961	0.3
154.02092	0.2
154.23331	0.1
155.06120	0.1
155.08540	0.2
157.06493	0.3
159.04428	0.2
159.11658	0.4
161.05956	0.4
161.13261	0.3
163.03912	1.5
165.06973	0.5
167.03386	0.4
168.05722	0.1
169.06467	0.4
169.10190	0.1
171.02916	2.4
171.04390	0.4
171.08037	0.3
173.13286	0.2
175.03902	0.2
175.07510	0.2
175.14772	0.2
177.16287	0.2
181.06476	0.2
183.08009	0.4
185.06032	0.2
187.03879	0.6
187.07484	0.2
187.14711	0.1
189.05534	0.2
193.06485	0.2
197.05980	0.4
199.03912	0.7
199.07434	0.1
201.05505	0.2
201.09102	0.5
201.16379	0.1
202.06238	0.1
203.07050	0.7
211.07524	0.4
211.11037	0.1
215.07039	0.2
215.17906	0.3
221.06085	0.1
225.05447	1.3
225.09048	0.2
225.12808	0.1
229.05020	0.8
229.08553	0.2
243.06499	0.7
247.06111	0.3
253.05017	0.2
253.12241	0.4
271.06003	100.0
271.13312	2.5
271.24207	1.6
272.06332	2.0
272.09299	0.1
289.14264	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.06
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.05500	0.4
60.55822	0.1
64.92682	0.1
65.03918	0.3
67.01864	1.8
67.05505	0.6
68.99780	1.0
69.03427	0.2
69.07065	0.3
69.71430	0.7
77.03930	0.1
79.05492	0.4
81.03417	0.3
81.07040	0.5
83.04989	0.2
83.08595	0.3
87.98793	0.1
90.57008	0.1
91.05479	2.0
93.07047	0.3
95.04944	0.2
95.08621	0.6
98.20808	0.1
102.24940	0.1
105.07032	0.3
107.04926	0.1
107.08598	0.1
109.10173	0.2
111.00772	0.2
113.88445	0.1
119.04938	6.3
119.08575	0.3
121.02848	1.7
121.03627	0.2
121.06506	0.2
121.10133	0.2
123.11707	0.1
125.02341	0.2
127.03876	0.1
129.01820	0.3
131.04926	0.4
133.02859	0.7
133.06427	0.1
133.10133	0.2
135.04427	0.3
141.07002	0.4
145.02840	1.8
145.06505	0.2
147.04407	0.4
149.02339	0.3
149.05930	0.3
151.03889	0.6
153.01826	12.5
153.06996	0.3
157.06447	0.2
159.04420	0.3
161.13322	0.1
163.03900	1.5
165.07011	0.3
167.03404	0.2
169.06465	0.3
171.02910	1.1
171.04279	0.2
171.08047	0.1
173.05966	0.3
175.03894	0.6
181.06444	0.2
183.08051	0.5
187.03886	0.8
187.07645	0.2
189.05492	0.3
195.08217	0.1
197.05910	0.5
199.03967	0.4
201.05527	0.2
201.09126	0.2
202.06374	0.1
203.06992	0.2
205.04976	0.4
205.42111	0.1
211.03891	0.2
211.07483	0.4
213.09093	0.1
215.07019	0.3
225.05383	0.6
229.05072	0.6
229.08563	0.3
243.06581	0.8
247.05913	0.2
253.08664	0.2
253.12303	0.1
271.06003	100.0
271.13409	1.6
272.06363	1.7
289.14658	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	271.059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.1
55.05493	0.2
65.03931	0.1
67.01549	0.1
67.01868	1.5
67.05489	0.4
68.99787	1.3
69.03408	0.3
69.07029	0.2
71.18238	0.3
77.03923	0.3
79.05470	0.4
81.07038	0.4
91.05474	2.4
92.09803	0.1
93.07050	0.3
95.04946	0.4
95.08616	0.6
97.02870	0.1
98.85166	0.1
105.03373	0.2
105.07008	0.4
107.04934	0.2
107.08589	0.1
109.02866	0.1
109.10126	0.4
111.00790	0.3
115.05441	0.3
119.04942	5.8
120.37115	0.1
121.02863	1.9
121.10085	0.3
125.02312	0.2
127.03918	0.1
128.06259	0.2
129.01840	0.4
129.06999	0.2
131.04878	0.3
131.08595	0.2
133.02863	1.1
133.06511	0.2
133.10081	0.2
135.04411	0.7
137.06027	0.1
137.09636	0.1
141.06952	0.3
143.08559	0.1
144.05609	0.1
145.02849	1.7
145.06487	0.3
145.10121	0.2
147.04395	0.5
147.08046	0.2
149.02306	0.1
149.05995	0.2
151.03897	0.9
153.01826	11.7
153.06996	0.2
154.02161	0.2
155.04961	0.2
155.33800	0.1
157.06490	0.2
158.07233	0.2
159.04410	0.1
159.08034	0.3
161.06006	0.2
163.03889	1.0
165.07019	0.3
168.05708	0.2
168.08127	0.1
169.06467	0.3
171.02907	1.4
171.08040	0.2
173.05957	0.3
173.09525	0.1
181.06567	0.2
182.09622	0.5
183.07930	0.2
185.06039	0.2
185.09547	0.2
187.03864	0.4
187.07538	0.1
189.05482	0.2
197.06023	0.3
198.12799	0.5
201.05458	0.1
201.09099	1.3
203.07005	0.3
211.07545	0.4
213.09076	0.3
215.07004	0.4
225.03554	0.1
225.05339	0.7
227.48265	0.1
229.05063	0.6
229.08667	0.2
243.06418	0.8
247.06091	0.2
253.12271	0.5
271.05997	100.0
271.13370	2.8
272.06369	2.0
272.09183	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	271.0592
Annotation	Apigenin
Peak:m/z	Relative Intensity
66.32878	0.1
67.01863	2.0
67.05495	0.3
68.99782	1.4
69.51653	1.0
77.87045	0.1
79.05492	0.2
81.03400	0.1
86.09119	0.2
86.37855	0.1
91.05482	2.0
93.07032	0.3
95.04935	0.2
95.08613	0.4
98.21490	0.2
102.63243	0.1
103.05508	0.1
105.03333	0.2
109.10127	0.1
111.00783	0.2
115.05424	0.2
119.04948	5.3
121.02863	2.1
121.10142	0.6
125.02399	0.2
127.03889	0.2
129.01820	0.4
131.04939	0.2
133.02855	0.4
135.04402	0.5
141.06990	0.2
145.02844	2.3
147.04402	0.4
151.03893	1.7
153.01830	13.2
157.06490	0.2
159.04446	0.2
163.03911	1.1
168.76700	0.1
169.06447	0.3
171.02867	1.5
173.06059	0.2
185.05821	0.2
187.03871	0.7
187.07495	0.1
197.05966	0.5
201.09076	0.3
203.07013	0.4
211.03856	0.2
211.07524	0.4
215.06960	0.2
225.05475	1.0
229.05014	0.5
229.08578	0.2
243.06497	0.7
247.06038	0.3
253.04955	0.2
253.12074	0.2
260.60999	0.1
271.06009	100.0
272.06369	2.5
272.09283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.112
Annotation	Apohaemanthamine
Peak:m/z	Relative Intensity
55.05486	1.0
58.06593	0.6
65.78693	0.6
67.05506	1.0
69.07031	0.6
69.95385	3.9
70.06584	0.8
71.47421	0.6
79.05476	1.8
79.34060	0.6
81.07072	1.6
81.73236	0.6
82.06560	2.4
84.08134	1.7
85.51544	0.6
91.05457	2.6
96.08128	1.3
103.05440	0.9
105.45330	0.6
107.10972	0.8
108.08137	4.8
119.04926	1.2
128.06276	0.9
129.06978	1.7
130.06601	0.9
131.04897	2.4
135.81471	0.7
141.06966	1.1
145.06319	0.7
147.04347	3.2
154.07690	1.2
157.06522	0.9
158.05870	0.8
159.04378	3.4
163.03906	3.9
165.07033	1.7
166.07724	1.1
169.06618	0.7
173.05930	1.4
175.03905	15.7
178.07852	1.1
179.08463	1.4
185.05975	9.5
186.05464	3.4
187.03947	3.7
187.07509	1.2
188.03395	2.5
189.05371	0.7
190.04961	1.9
197.09647	1.8
199.03917	1.8
201.05368	1.0
203.03526	0.7
210.06757	1.4
211.07581	0.8
213.05460	44.7
214.04947	14.5
225.09111	1.3
229.08618	7.9
235.07657	0.8
253.08560	10.1
254.08376	0.7
262.86642	0.6
268.09659	2.4
270.11227	100.0
270.28210	0.6
271.05939	4.2
271.11533	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	270.076
Annotation	Evoxanthidine
Peak:m/z	Relative Intensity
50.64640	0.3
52.80840	0.4
53.87862	0.3
55.05501	0.6
56.37623	0.3
57.03426	0.7
57.07055	1.0
65.03931	0.4
67.05502	2.2
68.05827	0.4
69.07044	0.8
70.06561	0.4
70.77515	0.3
70.77856	0.9
79.05470	0.8
81.07055	0.8
83.04965	0.4
89.64899	0.3
91.05443	0.5
93.07027	0.8
94.07380	0.4
95.08619	0.6
96.08924	0.6
97.06544	0.4
105.07003	0.3
107.08613	0.4
109.02845	0.3
109.10104	0.4
115.05428	0.4
120.04428	0.5
121.06493	0.4
121.10193	0.4
128.06177	0.5
129.07007	1.5
130.06604	0.4
139.05368	0.6
143.07274	0.9
144.08041	0.7
146.06027	0.6
150.09167	0.4
154.06509	6.0
155.07233	1.9
156.08083	6.3
158.09599	0.5
160.12045	0.5
166.06497	1.6
167.07256	1.2
168.08072	1.1
170.05988	6.7
170.09627	2.5
171.06784	3.9
171.08125	0.6
172.07579	1.8
173.02245	0.4
174.02672	0.4
179.07320	0.6
180.08084	10.0
181.08846	1.4
182.05988	3.4
182.09624	1.2
183.06801	4.1
184.07578	9.1
185.04698	1.3
186.05486	1.0
186.09175	0.9
191.07274	1.4
192.07970	0.9
194.06004	0.6
194.09648	2.9
195.10448	0.5
196.07585	0.9
197.08372	0.7
198.05453	1.0
198.09138	19.1
199.06276	14.0
199.07745	0.3
199.09773	0.7
200.07022	2.3
200.10796	0.5
202.02216	0.6
204.03874	0.4
208.11189	1.0
209.12013	0.7
210.05486	14.7
210.07494	0.7
210.12766	1.2
211.06224	1.5
212.07062	18.1
213.04083	9.5
214.05070	2.0
214.08598	4.8
214.34926	0.3
218.09637	0.4
219.10483	0.6
222.09149	0.8
224.07101	0.8
224.14389	1.1
226.04919	0.5
226.08615	1.7
227.05757	27.9
228.06522	12.3
232.06000	0.6
234.12750	4.1
236.10628	0.9
237.11446	1.4
238.04990	7.4
240.06546	18.7
241.07178	0.8
242.08124	10.3
252.06473	0.8
252.13837	19.0
254.04614	0.8
255.05206	5.5
256.06079	6.7
270.07599	100.0
270.14893	14.8
270.27866	1.0
271.05637	3.0
271.08182	1.5
289.64389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03947	3.9
55.01863	6.8
55.05518	27.4
57.03440	27.4
57.07072	6.7
65.03938	3.3
66.35390	1.6
67.05508	84.3
67.57311	1.8
69.07072	34.5
69.76652	10.4
71.04985	7.9
71.08636	2.5
79.05074	3.5
79.05499	49.7
81.03436	3.0
81.07063	100.0
83.04996	10.3
83.08623	20.7
85.02906	2.7
85.06554	8.3
91.05479	29.1
93.07050	76.4
95.04957	10.8
95.08607	36.6
97.06527	19.7
97.10157	4.2
99.08095	7.2
105.03387	2.6
105.07034	14.5
107.08602	37.5
109.06501	2.7
109.10170	5.2
109.35566	1.8
111.08122	9.3
117.07028	14.0
119.08578	7.3
121.10133	23.5
123.11668	5.0
128.06210	1.7
129.06938	2.0
131.00072	2.5
131.08572	14.6
133.10138	15.0
135.08035	4.0
135.11720	12.4
143.08504	3.3
145.02840	3.6
147.04408	6.5
149.13269	41.8
151.11192	2.3
157.06520	2.3
157.10123	3.1
159.11705	21.5
161.13252	2.8
173.02426	3.1
173.13335	2.2
175.03900	21.5
177.12811	11.3
177.14107	2.0
179.14261	2.2
185.06070	2.4
195.13824	15.7
199.07651	3.1
201.01788	5.4
209.13370	2.7
213.05522	4.1
213.14825	2.7
227.07010	5.4
251.20044	3.2
269.04395	2.6
269.08063	8.5
269.11728	6.9
269.14987	4.7
269.17493	54.3
269.22330	4.6
270.07516	3.0
285.02026	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	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.8
52.33902	0.7
53.03930	1.4
55.01845	1.8
55.05508	8.1
57.03437	8.3
57.07045	1.7
63.02365	0.9
65.03624	1.1
65.03938	12.1
67.05504	51.4
68.05819	1.0
69.03408	0.9
69.07070	9.7
69.07430	1.2
69.79787	0.6
71.04965	2.0
71.08625	0.6
71.52846	0.9
75.02382	0.6
75.59137	0.6
77.03929	1.3
79.05074	0.9
79.05495	13.2
81.03400	1.2
81.07055	28.6
83.04984	7.7
83.08620	5.1
85.06502	2.1
89.03915	14.1
91.05479	16.8
93.06493	1.0
93.07047	20.1
95.04974	2.4
95.08605	12.3
97.06524	3.4
97.10167	0.7
99.08096	1.0
103.05463	1.2
105.03384	0.9
105.07027	3.6
107.04942	1.5
107.08588	9.8
109.06528	1.0
109.10194	1.6
111.08068	2.8
115.05425	2.3
117.03394	4.1
117.07010	3.0
119.04942	4.1
119.08549	1.9
121.02837	0.6
121.06533	0.9
121.10135	6.0
123.11726	1.5
128.06206	3.6
129.02414	1.4
129.03363	24.0
129.06990	2.6
130.03603	0.7
131.04916	6.1
131.08580	4.3
133.02864	1.2
133.10110	2.7
135.04427	0.8
135.11710	3.2
139.11148	0.7
141.06952	1.3
142.07730	1.9
143.04858	1.4
143.08542	2.7
145.02847	26.0
145.03912	1.1
145.06415	1.3
145.10208	0.7
146.03183	1.0
147.04408	30.0
147.11609	0.8
148.04837	0.8
149.13258	12.5
152.06180	2.3
153.07007	1.3
155.08551	1.0
156.05666	0.7
157.02855	44.6
157.06454	2.2
157.10107	1.2
158.03627	4.9
159.04422	3.2
159.11668	5.3
163.03876	1.6
165.07051	1.8
166.07710	0.8
167.08566	3.3
169.06479	1.3
171.04405	12.3
171.08046	3.7
173.02342	73.6
174.02823	2.8
175.03911	62.6
176.04253	2.6
177.12764	2.3
181.06528	0.9
183.08058	0.9
184.05203	2.3
185.02364	11.0
185.05994	5.3
185.09662	1.9
186.03090	5.5
187.03886	6.8
189.05473	1.4
191.03349	1.3
195.08086	8.0
195.13802	4.4
197.05998	1.5
198.06755	1.6
199.03912	25.4
199.07544	5.3
199.11157	0.9
200.04231	1.2
201.01828	86.7
201.05560	2.3
202.02261	6.4
203.03389	55.0
204.03789	3.1
205.06523	0.6
208.05302	0.9
212.04694	0.7
213.05452	16.8
213.09090	2.5
214.05634	0.9
215.03415	2.6
223.07495	3.7
225.05556	0.9
225.09161	0.8
226.06209	1.9
227.07022	36.2
228.07283	2.0
236.04800	0.9
239.07059	0.9
239.10661	1.6
240.04140	1.1
241.08591	11.2
251.07077	5.3
252.07454	0.9
254.09389	1.6
269.08093	100.0
269.11642	13.6
269.15213	4.3
269.17642	11.9
269.22263	1.0
270.08401	5.8
270.11676	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03931	4.3
55.01867	2.9
55.05272	1.4
55.05515	22.8
56.12077	1.0
56.42567	1.0
57.03442	32.5
57.07075	5.7
57.07302	1.0
65.03937	2.4
65.49091	1.0
67.05506	77.4
69.03431	1.3
69.07067	31.8
70.41625	3.3
71.04998	7.2
71.08601	1.8
76.07430	1.0
76.08546	1.3
79.05493	43.5
81.03416	3.4
81.07058	100.0
82.07417	1.5
83.04998	11.9
83.08619	20.9
85.06542	6.8
91.04910	1.2
91.05482	31.3
93.07045	68.6
94.07370	1.2
95.04964	8.4
95.08614	29.4
97.06532	13.0
97.10165	3.7
99.04423	1.3
99.08083	2.9
99.51199	0.9
105.03400	1.0
105.04530	1.0
105.07024	12.3
107.08595	36.8
109.06510	4.0
109.10170	6.1
111.08072	10.1
113.09621	1.8
115.07540	1.1
117.07016	11.5
119.08552	4.3
121.06492	1.6
121.10143	17.6
123.11703	4.4
129.03416	1.9
129.06989	1.6
131.08575	12.1
133.10124	14.4
134.06029	2.8
135.08078	1.9
135.11685	13.3
139.07481	1.1
139.11197	2.6
141.06892	1.5
144.09372	1.2
147.04402	4.3
147.11682	1.4
149.09636	1.6
149.13266	40.3
151.11227	2.8
157.02855	1.6
157.10075	1.2
159.11699	23.9
161.13271	1.8
173.02373	2.1
175.03912	21.9
177.12758	11.1
194.11023	1.0
195.13837	13.8
199.03825	1.2
201.01897	2.4
201.05403	1.1
203.03386	2.0
213.05521	4.5
213.14850	1.7
227.07092	3.3
239.65346	1.3
241.08556	1.6
254.09435	1.4
269.04367	1.6
269.08231	4.0
269.11691	8.9
269.15378	4.1
269.17545	54.9
269.22141	2.2
270.07718	4.4
270.17926	1.6
289.24710	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.36050	1.6
51.43043	1.3
53.03928	2.7
55.01863	3.4
55.05517	22.6
57.03439	37.5
57.07059	3.8
58.43042	1.5
61.87135	1.3
65.03927	3.4
66.13396	1.2
67.05506	81.0
69.03439	2.4
69.06726	2.4
69.07068	28.1
69.34601	11.7
71.05007	7.2
71.08617	2.2
71.80423	1.4
73.02938	1.5
76.24139	1.3
79.05494	45.2
81.03415	2.1
81.07056	100.0
81.17007	1.3
83.04990	12.9
83.08625	19.1
84.95118	1.4
85.02924	1.5
85.06528	6.2
88.90191	1.3
91.05482	29.6
93.07045	74.9
95.04978	6.3
95.08612	25.7
97.06528	17.0
98.20779	2.1
99.08093	4.1
105.07031	12.5
107.08588	31.6
107.45545	1.4
109.06509	4.9
109.10152	4.0
111.08072	8.2
111.11716	2.0
111.37391	1.3
117.07010	11.0
119.08580	3.2
121.10138	18.7
122.13837	1.6
123.08017	1.9
123.11708	4.6
131.08571	13.7
133.10127	14.0
135.08063	2.8
135.11685	11.1
147.04408	3.0
147.11674	2.4
149.09575	3.7
149.13264	43.6
151.11174	1.6
159.11705	21.9
171.08131	1.6
173.02296	1.8
175.03922	10.8
177.12680	11.2
195.13797	16.1
201.01884	2.7
213.05450	2.2
227.07129	3.3
227.10686	2.9
269.04507	3.0
269.08127	3.9
269.12045	3.1
269.17523	59.0
269.22168	2.8
270.07593	2.5
271.81113	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
55.01864	5.0
55.05516	25.5
56.75504	1.5
57.03438	31.9
57.07065	5.7
59.04995	1.5
62.47849	1.4
65.03931	3.8
67.05508	85.1
69.03426	2.2
69.07069	33.8
71.04980	6.7
71.53504	1.8
71.60719	1.7
79.05495	51.0
79.18941	1.5
81.03448	1.7
81.07058	100.0
83.04980	14.0
83.08620	21.5
85.06534	5.9
91.05482	34.4
93.07046	77.1
95.04958	9.8
95.08604	35.2
97.06535	17.3
97.10136	2.2
99.08073	5.1
105.03407	2.8
105.07021	10.6
107.08589	38.8
108.57637	1.5
109.06522	3.9
109.10143	4.3
111.08073	9.6
117.07011	11.8
119.04929	6.0
119.08569	5.4
121.06461	2.3
121.10148	21.5
123.11678	3.9
128.06224	2.3
129.06995	2.5
131.08577	13.5
133.10158	14.9
135.08035	2.6
135.11734	13.0
139.11182	3.7
141.06975	3.1
143.08551	2.3
147.04427	21.3
147.54535	1.5
149.09589	2.0
149.13266	47.2
153.06993	3.2
157.06532	2.1
157.10162	3.1
159.11697	24.9
160.91402	1.8
167.08455	2.4
167.12976	1.7
169.10155	2.5
171.04439	4.1
171.11775	2.0
173.02322	3.2
174.02832	1.8
175.03915	88.4
176.04234	1.8
177.12764	8.9
181.10133	3.4
185.06017	5.2
185.09573	2.0
195.11916	2.7
195.13765	14.8
195.82674	1.5
199.03909	5.8
199.07658	3.4
201.01898	3.7
201.05467	3.7
203.03384	3.0
209.09569	2.9
209.13248	3.0
213.05460	20.2
213.08958	2.2
223.11261	2.1
227.07069	9.1
233.25246	1.7
241.08575	2.5
242.08061	3.6
254.09335	2.4
269.04422	5.2
269.08078	9.7
269.11707	31.8
269.15216	9.6
269.17578	45.4
269.22443	3.2
270.04999	3.0
270.07535	15.6
270.12143	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	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.26214	0.9
53.03934	2.9
55.01854	3.0
55.05511	22.1
57.03157	1.5
57.03436	36.3
57.07073	5.1
65.03934	5.0
67.05505	83.1
69.03438	1.6
69.07069	33.7
71.04986	6.4
71.08627	1.5
71.52389	0.9
73.27486	0.9
73.58725	0.9
77.03925	1.2
79.05493	45.7
81.03417	2.3
81.07056	100.0
83.04993	13.9
83.08621	18.4
85.06533	6.1
89.03909	3.0
91.05482	23.6
93.07044	76.1
94.19743	1.0
95.04958	6.5
95.08604	24.2
97.05927	1.2
97.06531	16.9
97.10184	2.3
99.04442	1.3
99.08087	5.1
105.04510	1.2
105.07014	10.6
107.08595	37.7
109.06503	3.1
109.10149	5.4
111.08092	11.3
111.11739	2.3
113.09633	2.2
115.05540	1.0
117.07017	9.8
119.08568	5.0
121.06517	2.4
121.10135	25.7
121.50240	0.9
123.08070	1.1
123.11696	3.2
125.09608	2.1
127.07588	1.2
129.03328	5.4
131.04921	1.1
131.08560	9.9
133.10124	10.3
135.08025	2.0
135.11687	10.2
139.11191	2.7
143.08539	2.5
145.02837	6.5
145.10103	1.7
147.04437	4.8
147.11691	2.1
149.09602	1.4
149.13261	52.3
151.11137	1.1
152.06189	1.0
157.02835	12.1
157.06476	1.0
157.10085	2.9
159.10461	1.9
159.11691	25.3
163.11266	1.2
167.14346	1.1
171.04387	2.4
171.11676	1.7
173.02342	15.2
175.03937	2.0
177.12721	11.2
185.02377	2.0
185.13232	1.2
187.03929	1.5
195.11943	1.4
195.13791	13.2
199.03889	6.3
199.07524	1.2
201.01836	20.8
203.03418	14.3
203.05246	1.5
213.16466	1.3
227.07002	10.1
228.04228	1.1
228.07130	1.1
241.08644	2.1
242.75650	1.0
251.07011	1.4
251.20169	1.4
264.99487	1.1
269.08090	24.0
269.11594	1.4
269.17484	47.6
269.22598	5.8
269.25107	1.3
270.07913	4.2
270.17822	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03935	3.7
55.01863	3.4
55.05512	23.5
57.03439	39.7
57.07061	3.5
58.26748	0.7
59.04996	0.8
65.03922	3.4
67.05507	76.4
69.03403	1.3
69.07072	33.9
69.39520	7.2
71.04990	6.5
71.08624	1.5
73.02885	1.0
77.03938	1.7
79.05496	51.1
81.03413	2.0
81.07057	100.0
82.07372	0.8
83.04981	11.6
83.08152	1.2
83.08622	19.5
85.06535	6.7
91.04919	1.0
91.05482	24.5
93.07047	74.5
95.04968	7.5
95.08613	24.8
97.06528	15.4
97.10133	2.9
99.04449	0.9
99.08100	4.4
105.03366	3.0
105.07032	10.8
105.78046	0.8
107.04947	1.3
107.08595	39.9
108.08976	1.2
109.06511	3.6
109.10168	5.6
111.08073	11.5
111.11728	1.1
113.06004	1.4
113.09632	1.5
117.07027	10.0
119.08570	5.2
121.06509	3.0
121.10150	22.3
123.08109	0.9
123.11737	4.6
125.09627	1.1
129.03406	1.1
130.06500	1.0
131.08563	11.8
133.02849	1.2
133.09229	1.3
133.10143	11.3
135.08038	2.3
135.11681	9.9
137.13199	0.9
139.07532	0.9
139.11188	2.8
142.07761	0.9
143.08591	2.4
144.07979	1.0
145.06410	0.8
145.10075	1.5
147.04324	1.1
147.11674	2.8
148.07544	1.7
149.09610	1.5
149.13258	50.5
151.11136	1.7
153.09109	1.0
157.02919	0.9
157.10117	2.7
159.11691	24.2
161.13263	1.6
167.14365	1.9
172.07556	2.6
173.02330	2.3
173.13211	1.0
175.03888	2.0
175.14807	0.8
176.07010	0.9
177.12766	10.5
179.14201	1.0
186.09093	1.7
195.13789	11.9
199.09671	0.9
201.01804	1.9
203.03450	2.2
213.14742	1.1
214.08641	3.2
227.07108	1.3
227.10658	1.3
269.08047	4.2
269.11646	3.7
269.17480	52.6
269.22137	8.4
270.07788	1.5
270.12158	0.8
270.14862	5.0
270.17575	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33314	1.1
51.62149	1.1
53.03933	3.3
55.01844	3.8
55.05513	22.7
57.03437	35.3
57.07078	6.3
65.03918	2.1
67.05505	73.9
69.03416	2.7
69.07069	34.4
70.06553	1.8
70.13949	5.3
71.04988	7.9
71.08628	3.1
74.06077	1.3
77.03908	1.3
79.05491	43.6
80.05785	1.2
81.03387	4.0
81.07054	100.0
83.04969	10.8
83.08156	1.6
83.08620	20.0
85.06544	8.8
86.09683	1.2
91.05478	28.6
93.07040	77.0
93.71200	1.2
95.04957	7.7
95.08603	37.3
97.06038	1.4
97.06530	18.4
97.10129	3.5
99.04460	1.3
99.08060	5.0
105.03368	2.6
105.04434	1.2
105.07027	17.7
107.04942	2.8
107.07888	2.0
107.08591	38.6
109.02847	3.4
109.06483	5.7
109.10152	10.7
111.07509	1.0
111.08076	11.3
111.11700	2.4
111.18903	1.2
111.82413	1.2
113.06037	1.6
113.09618	1.5
115.05428	1.8
117.07024	10.8
119.04860	1.2
119.07822	1.5
119.08583	14.0
121.02841	4.9
121.06507	2.3
121.10140	27.3
123.11700	7.3
125.09601	1.7
127.07490	3.5
128.06184	2.9
129.06938	4.6
131.04962	1.6
131.08553	15.6
133.02806	4.4
133.06512	1.4
133.10117	12.1
135.08003	3.7
135.11687	11.9
139.07483	1.6
139.11176	2.9
142.07687	3.6
143.08553	9.3
145.06453	1.4
145.10126	9.2
147.04387	5.6
147.11703	6.5
149.06157	1.3
149.07375	1.9
149.09608	1.6
149.13255	54.9
151.11177	1.2
153.06990	2.6
155.08548	2.3
156.09296	1.6
157.06516	1.4
157.09045	1.5
157.10123	11.4
159.08009	1.5
159.11688	28.0
159.33191	1.4
161.13197	3.0
165.06999	2.1
167.03372	1.8
167.08540	2.4
169.10052	2.0
170.10858	1.6
171.08014	2.4
171.11687	9.5
173.05933	1.4
173.13242	6.5
175.03885	15.3
175.14787	3.0
177.12721	9.1
181.10069	2.5
183.11720	1.7
185.05930	2.8
185.13290	6.5
187.14748	4.5
195.13786	10.5
198.06842	1.5
199.07584	3.2
199.14812	9.9
201.01759	1.6
209.09477	1.8
211.14709	1.9
213.05432	4.8
213.12764	1.2
213.16412	10.2
223.11177	1.4
225.60773	1.6
226.06200	2.0
227.06950	4.2
227.17908	3.4
241.08598	2.8
242.07959	2.2
251.10561	1.9
251.20038	2.5
269.05383	1.4
269.08090	7.4
269.11658	18.3
269.17523	38.9
269.22556	42.4
269.24808	1.7
270.07584	5.4
287.12491	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12844	1.5
53.03932	4.6
55.01858	4.6
55.05515	18.9
56.96553	2.3
57.03194	2.0
57.03440	24.3
57.07064	6.1
65.03939	14.5
65.29438	1.7
67.05507	94.9
69.07071	30.8
71.04978	5.5
71.08624	4.5
71.34004	2.7
79.05499	36.5
81.03422	3.3
81.07061	75.2
82.07375	2.0
83.04989	13.8
83.08618	16.8
85.06525	5.0
85.10166	1.9
85.70242	1.4
89.03925	9.8
91.05477	23.4
93.07045	53.8
95.04949	6.9
95.08608	23.8
97.06531	13.3
97.10184	2.5
99.08092	4.6
101.94667	1.5
105.03376	3.8
105.07037	12.8
107.08589	32.3
108.86513	1.6
109.06498	3.0
109.10159	9.0
111.08091	8.5
115.05478	2.0
117.03380	2.9
117.06976	8.2
119.08569	5.5
121.06509	2.1
121.10135	18.3
123.11734	5.0
128.06206	2.7
129.03381	17.8
129.06998	3.0
131.04916	4.9
131.08548	9.3
133.02875	1.7
133.10106	11.8
135.08043	4.3
135.11682	10.8
141.07024	1.8
142.07790	2.0
142.82625	1.7
143.04932	2.6
143.08557	4.3
145.02838	24.1
145.03882	2.5
145.06458	1.9
145.10162	2.7
147.04419	17.2
147.11702	3.5
149.09698	1.8
149.13272	37.7
152.06216	3.8
153.07106	2.2
157.02852	39.1
157.06479	1.8
157.10133	5.1
158.03589	1.9
159.04385	2.9
159.11710	16.0
163.03949	1.9
165.07027	2.4
167.08582	3.8
167.14447	1.6
169.10129	1.9
171.04382	12.7
171.08049	2.9
171.11641	1.9
173.02351	66.8
173.13393	2.0
174.02736	3.3
175.03922	13.3
177.12755	10.6
181.93103	1.6
183.08133	2.2
185.02335	9.4
185.06137	2.2
185.09657	2.0
185.13271	2.9
186.03070	4.3
187.03838	7.2
191.03429	1.7
195.08035	7.3
195.12051	2.6
195.13809	9.5
197.06123	1.7
198.06813	1.9
199.03922	25.3
199.07579	3.3
201.01833	73.0
202.02467	4.5
203.03412	47.7
203.04933	1.0
204.03801	2.0
209.06009	1.7
211.14848	1.8
213.05447	4.8
213.09233	2.1
215.03416	2.4
222.24826	1.9
223.07545	3.8
226.06279	2.3
227.05008	2.5
227.07072	35.5
227.17973	1.8
240.04359	1.6
241.08601	13.1
248.50868	1.7
251.07019	5.1
251.19997	3.5
251.22221	2.2
254.16634	1.9
257.60330	1.9
269.08109	100.0
269.11411	4.8
269.17282	31.8
269.22250	9.4
270.07843	12.5
270.11462	1.7
270.17654	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1535
Annotation	4,4'-(2-Ethyl-1-butenylidene)diphenol
Peak:m/z	Relative Intensity
53.03938	2.2
55.01848	2.2
55.05516	8.1
57.03436	7.7
57.07053	2.9
65.03925	1.9
67.05506	27.4
67.39821	0.8
69.03406	1.1
69.07065	23.6
69.29848	5.1
69.30274	3.4
71.04984	2.0
71.68329	0.8
79.05492	17.9
81.03413	1.3
81.06597	1.9
81.07056	37.0
83.04957	3.0
83.08620	8.2
85.06532	1.7
91.05483	17.4
93.07044	33.1
95.04972	4.8
95.08608	23.6
97.06536	4.5
97.10184	1.0
99.08053	1.2
105.03393	1.6
105.07018	10.9
107.04928	3.4
107.08585	28.9
109.06513	1.5
109.10155	13.4
111.08039	2.2
115.05495	0.9
116.84987	0.9
117.07027	5.1
119.04974	0.9
119.08586	5.8
121.06507	12.9
121.10140	15.3
121.10966	1.9
123.08028	1.4
123.11709	1.7
128.06194	0.9
128.33754	1.1
129.07053	1.1
131.04930	2.8
131.08549	6.0
133.06458	2.5
133.10121	9.5
134.03616	1.1
135.11671	3.5
141.06940	1.1
143.08511	3.8
145.06447	2.9
145.10109	2.7
147.04378	1.1
147.08022	2.0
147.11635	1.8
149.05980	72.0
149.13235	11.7
151.11183	1.0
157.06468	2.2
157.10115	3.8
158.03656	2.4
159.04349	1.2
159.08014	2.4
159.11667	6.4
161.05962	3.5
163.07542	4.9
165.06979	0.9
167.08487	1.3
169.06436	1.8
171.08067	4.4
171.11684	2.9
173.05984	40.2
173.13266	2.3
173.35941	0.9
175.03871	1.8
175.07523	5.1
177.09065	1.6
177.12737	2.3
179.08522	1.1
183.08049	3.1
185.09628	3.5
185.13226	3.0
187.07550	33.9
187.14786	1.1
189.09123	1.3
195.08105	1.1
195.13766	4.0
197.09644	1.2
199.07512	4.2
199.14799	1.5
201.01930	1.1
201.09145	11.2
209.09604	2.5
211.11237	4.9
213.09114	10.8
213.16286	1.2
223.11156	1.2
225.12776	5.1
227.10628	3.5
227.14227	7.2
241.12300	1.8
251.14290	3.3
269.07944	3.2
269.11987	3.1
269.15305	100.0
269.17566	6.2
269.22510	11.6
270.07523	1.7
270.15536	2.3
275.71344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1611
Annotation	Histidylleucine
Peak:m/z	Relative Intensity
52.50246	0.3
54.23023	0.3
55.00724	0.3
55.01845	0.4
55.05500	1.4
56.05031	1.9
56.96296	0.6
56.96564	7.2
57.03434	0.8
57.07061	0.7
60.04528	3.3
60.05619	0.4
61.02925	0.4
67.05502	1.1
69.03435	3.0
69.07072	1.8
69.96581	1.1
70.06596	9.6
71.01342	0.5
71.05000	0.8
71.06924	0.5
71.08654	0.3
72.04515	0.4
72.08154	3.3
73.02911	1.0
73.06516	0.4
74.06091	0.8
74.97592	0.4
79.05479	0.7
81.03421	1.1
81.04541	2.4
81.07066	1.4
82.05328	0.7
82.06593	0.5
83.05006	0.5
83.06109	7.8
83.08638	0.5
84.04513	1.7
84.08147	7.9
84.96037	1.0
85.02912	2.9
85.06508	0.5
85.08503	0.3
86.06055	0.4
86.09708	6.0
87.04471	0.4
87.05599	0.4
88.04002	0.4
90.54185	0.3
91.05486	0.9
93.04531	6.0
95.04987	0.9
95.06097	3.1
95.08591	1.1
96.04536	0.4
96.08083	0.3
97.02897	2.4
97.06512	0.6
97.10165	0.4
98.06068	0.6
98.09712	0.5
98.20908	0.4
98.97583	6.4
99.04456	0.7
102.05531	0.5
103.05486	0.6
105.03364	0.5
105.07036	0.4
107.04965	0.5
107.06080	0.3
107.96994	0.3
109.02878	0.9
109.10159	0.4
110.07169	100.0
110.97581	0.6
112.07577	0.3
112.08713	0.7
112.11311	0.3
115.03891	0.4
116.07094	0.6
116.98626	4.2
119.01865	0.6
119.04959	1.0
120.08112	2.9
121.02852	0.6
121.03981	0.6
121.10162	0.4
122.06112	0.3
122.07183	2.2
123.04436	0.8
123.11734	0.3
124.04002	0.6
125.04287	0.5
125.07140	0.4
126.05526	0.5
127.03937	1.3
127.08678	0.6
128.02254	0.3
128.98619	1.2
129.10217	2.7
130.05013	0.6
130.08641	1.0
133.06529	0.4
134.99640	2.5
135.11749	0.3
136.06195	4.9
136.07579	4.6
137.04768	0.7
137.06642	3.6
138.05539	0.8
138.06630	3.8
140.07080	0.5
141.10243	0.4
141.93721	0.3
143.00203	0.4
145.01802	0.5
146.99664	1.7
147.00682	0.3
147.03267	0.4
147.04292	0.6
150.05533	0.6
150.99092	0.4
152.05948	0.4
152.07111	1.0
153.06723	0.4
155.01680	0.3
155.04665	1.0
155.08211	0.4
155.99730	0.4
156.03366	0.5
156.07692	25.9
157.10960	0.5
158.99664	0.8
160.07610	0.4
161.01215	1.1
161.04723	0.4
162.99139	0.4
164.05162	0.4
165.05476	1.2
166.06128	0.9
166.08643	0.4
170.99651	0.4
173.01132	0.4
174.04408	1.2
175.11914	0.7
177.00673	1.5
177.05763	0.4
178.13411	3.3
179.02313	0.5
179.11781	0.4
181.18102	0.3
182.00066	0.3
182.03366	0.6
182.08122	2.2
183.03297	0.5
186.04411	1.1
187.54123	0.4
188.54956	1.0
189.00632	0.5
189.04227	0.4
190.95398	0.3
191.02313	0.4
191.03925	0.6
191.05595	0.5
192.05531	0.4
197.05809	0.6
197.55789	0.4
200.54959	0.3
201.00641	0.7
201.02444	0.3
201.04320	0.7
204.05443	1.1
206.13028	0.5
212.14014	0.3
219.01697	0.8
223.10805	1.3
223.15578	6.7
224.14011	0.8
228.01825	0.9
228.05423	1.5
234.12364	0.8
237.02856	1.3
246.02954	1.1
246.06570	1.0
251.09705	0.6
251.15045	8.9
269.08014	0.7
269.10736	1.1
269.12051	1.1
269.16116	20.2
269.24817	0.7
270.14307	1.6
270.95657	0.4
287.04489	0.4
287.11670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
51.21758	0.5
53.03945	2.2
55.01875	5.7
55.05307	0.6
55.05518	6.8
57.03439	5.5
57.07069	2.4
67.05511	17.6
69.07069	9.4
71.04990	2.4
71.08614	1.2
71.52065	0.6
72.08136	0.7
76.18029	0.6
77.03915	1.0
79.05501	10.7
79.70438	0.5
81.03422	1.4
81.07058	21.5
81.07534	1.2
83.04986	2.9
83.08620	6.2
84.42587	0.5
85.06557	1.6
86.00350	0.5
91.05485	7.5
93.06483	0.9
93.07048	16.2
95.04980	6.1
95.08611	11.1
97.06551	3.5
97.10180	1.4
98.00269	0.6
99.04504	0.6
99.08099	1.4
103.05461	1.6
105.03397	100.0
105.07045	5.6
106.03719	1.2
106.06557	9.6
107.04961	1.1
107.08593	9.8
109.06539	1.3
109.10146	3.9
111.08068	2.4
115.05399	0.7
117.07014	2.8
118.06545	1.9
119.04968	0.8
119.08594	6.0
120.04450	1.0
120.08125	4.0
121.06503	1.3
121.10188	6.0
122.06028	6.5
123.11741	1.8
128.06235	1.2
129.07008	1.0
130.06531	64.7
131.08586	4.3
133.02893	1.4
133.10155	4.7
134.06018	14.5
135.08047	0.9
135.11670	3.1
143.08556	3.1
144.09341	0.9
145.10155	4.0
147.04402	1.1
147.11705	3.1
148.07579	86.7
149.07938	0.8
149.09714	0.9
149.13278	9.3
151.89906	0.6
152.07172	0.7
156.09377	1.1
157.10187	4.3
159.11696	7.8
161.13254	2.2
165.06966	0.9
169.06578	0.8
169.10118	1.3
170.10889	0.7
171.11691	2.7
173.02345	0.7
173.05881	0.7
173.13283	2.0
175.03925	2.6
175.14955	1.2
176.07080	54.2
177.05612	0.6
177.12781	2.3
180.71506	0.6
181.10110	0.6
183.11772	0.8
185.09586	0.6
185.13258	2.9
187.14891	1.6
195.11763	0.9
195.13797	1.2
198.34018	0.7
199.14818	2.9
201.01778	0.8
203.03604	0.7
209.09741	1.3
209.13283	1.0
213.05513	0.7
213.09079	0.8
213.12744	0.8
213.16461	3.6
223.11060	0.7
227.10684	0.8
227.17982	0.9
241.08589	1.1
251.10616	0.9
251.20081	1.9
269.08084	2.4
269.11981	5.0
269.15283	1.2
269.17407	8.8
269.22549	14.5
269.24918	1.1
270.07602	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	269.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02171	0.1
51.02394	0.2
53.03942	0.2
55.01866	0.2
55.05510	1.3
57.03431	0.3
57.07060	0.3
63.02370	0.1
65.03915	0.9
67.05500	2.5
69.03442	0.2
69.07067	2.3
69.91837	0.2
69.92239	0.3
71.04970	0.2
77.03903	0.1
79.05503	1.1
81.07053	1.5
83.04987	0.3
83.08614	1.6
91.05479	13.0
93.07044	4.4
95.04964	0.7
95.08606	10.6
97.06512	0.1
103.05443	0.7
105.03380	0.2
105.07047	0.9
107.04950	0.3
107.08589	2.4
109.06528	0.4
109.10183	0.1
115.05434	0.8
117.07019	0.6
119.04942	5.5
119.08604	0.4
121.02872	0.3
121.06406	0.2
121.10142	0.4
128.06213	1.7
129.03397	0.3
129.06998	1.4
131.04916	0.7
131.08583	0.5
133.02837	0.2
133.06448	0.8
133.10115	0.4
135.04408	0.3
135.08110	0.2
135.11731	0.2
141.06958	0.5
142.07764	0.4
143.08546	1.3
144.08058	0.2
145.02867	0.2
145.06461	1.1
147.04407	21.3
148.04764	0.3
149.09589	0.1
149.13284	0.3
152.06207	0.2
153.07031	0.4
155.06059	0.2
155.08551	0.5
156.09311	0.3
157.06508	1.2
157.10143	0.4
158.07277	0.1
159.04434	0.7
159.08066	0.3
159.11676	0.3
160.05203	0.3
161.05983	0.8
161.09583	0.2
163.03928	0.3
165.06987	0.5
166.07785	0.1
167.08574	0.4
169.06502	0.4
169.10181	0.3
171.04387	0.9
171.08060	1.6
171.11716	0.4
172.08650	0.1
173.02379	0.3
173.05971	0.9
174.06792	0.2
175.03905	100.0
176.04256	1.6
176.08344	0.4
177.05489	0.2
177.09094	0.1
179.08553	0.2
181.06505	0.3
181.10104	0.3
182.07155	0.2
183.08055	0.6
183.11765	0.1
184.05171	0.6
184.08653	0.2
185.05977	7.3
185.09598	0.5
186.06532	0.2
186.10446	0.3
187.03894	0.5
187.07484	0.2
189.05467	3.7
189.09071	0.8
193.10115	0.3
195.08070	0.5
197.06145	0.3
197.09656	0.4
198.06743	1.0
198.10419	0.2
199.03914	3.9
199.07536	2.6
199.11177	0.9
200.08058	0.2
201.01793	0.3
201.05464	4.2
203.03474	0.2
203.07037	1.2
208.08795	0.2
209.09682	0.7
211.07510	1.3
211.11206	0.3
212.04779	0.2
212.08324	0.4
213.05466	23.0
213.09047	1.2
214.05968	0.6
214.09753	0.1
215.07025	0.8
215.10632	0.2
216.06522	0.7
223.14786	0.2
225.05536	0.4
225.09116	0.9
226.06247	1.3
226.09804	0.5
227.07040	8.7
227.10493	1.7
228.07625	0.3
239.07030	0.8
239.10703	1.4
240.07800	0.3
240.11586	0.2
241.08598	1.7
241.12224	0.5
241.15858	0.8
251.10732	0.2
251.14136	0.1
253.08611	0.5
254.09372	2.6
254.12994	1.3
269.11734	31.0
269.15311	9.2
270.11987	0.9
270.15341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1167
Annotation	Clusiparalicoline C
Peak:m/z	Relative Intensity
50.01603	0.1
51.02404	0.2
51.08554	0.1
52.36369	0.1
53.00291	0.1
53.03940	0.2
55.01875	0.2
55.05509	0.9
57.03440	0.1
57.07078	0.1
57.08114	0.1
63.02373	0.1
63.22892	0.1
65.03921	0.9
65.04226	0.1
67.05505	1.3
68.99799	0.1
69.03417	0.1
69.07066	1.7
70.44938	0.1
71.53059	0.1
71.53426	0.1
74.09684	0.1
77.03918	0.1
79.01843	0.1
79.05489	0.7
81.03427	0.1
81.07047	1.0
83.04979	0.1
83.08613	0.6
85.06510	0.1
89.03930	0.1
91.05476	14.1
92.05797	0.2
93.06573	0.1
93.07039	3.4
95.04972	0.6
95.08602	10.7
96.08945	0.1
96.34554	0.1
103.05453	0.6
105.03403	0.1
105.04526	0.2
105.07029	0.8
107.04964	0.3
107.08583	2.0
109.06520	0.4
115.05444	0.6
117.07033	0.6
119.04938	5.8
119.08569	0.2
121.02853	0.3
121.06533	0.1
121.10098	0.1
123.08057	0.1
128.06207	1.6
129.06998	1.2
131.04900	0.5
131.08556	0.3
133.02843	0.1
133.06467	0.6
133.10133	0.5
135.04373	0.2
137.05870	0.1
141.06996	0.5
142.07793	0.3
143.04895	0.1
143.07494	0.1
143.08569	1.1
144.05687	0.1
144.08063	0.2
145.02844	0.1
145.06479	1.0
147.04402	23.5
147.08083	0.3
148.04732	0.4
149.13210	0.1
152.06175	0.1
153.06946	0.3
154.07771	0.1
155.06036	0.2
155.08551	0.5
156.05676	0.1
156.09344	0.2
157.06474	0.9
157.10162	0.4
158.07220	0.1
159.04390	0.7
159.08034	0.2
160.05197	0.3
161.05981	0.8
161.09593	0.3
163.03969	0.3
165.06989	0.3
166.07768	0.2
167.08553	0.2
168.05807	0.1
169.06470	0.2
169.10143	0.2
170.07234	0.2
171.04384	0.6
171.08038	1.3
171.11708	0.3
173.02261	0.1
173.05994	0.7
173.09599	0.1
174.06766	0.1
175.03899	100.0
176.04237	1.8
176.08360	0.5
177.05418	0.2
177.09062	0.2
179.08521	0.1
180.09248	0.1
181.06509	0.2
181.10144	0.2
182.07187	0.1
183.04413	0.1
183.08043	0.7
183.11723	0.1
184.05185	0.2
184.08850	0.2
185.05977	7.0
186.06551	0.2
186.10448	0.3
187.03868	0.5
187.07484	0.2
189.05460	3.0
189.09059	0.7
190.05804	0.1
192.06570	0.1
193.10152	0.2
194.07425	0.1
194.10890	0.1
195.08073	0.5
195.11668	0.2
197.05872	0.4
197.09621	0.3
198.06778	0.9
198.10371	0.1
199.03897	1.8
199.07527	2.2
199.11169	0.9
199.14818	0.1
200.08104	0.1
201.05446	3.2
202.05994	0.1
203.06989	0.5
203.10855	0.1
208.08800	0.2
208.12357	0.1
209.09549	0.4
210.10387	0.1
211.07553	1.1
211.11143	0.4
212.08388	0.4
212.11911	0.1
213.05458	22.4
213.09010	1.0
214.05760	0.4
215.06906	0.3
215.10516	0.1
216.06525	0.6
221.09627	0.1
223.07457	0.1
223.14885	0.1
224.08437	0.1
225.05524	0.2
225.09074	1.0
226.06212	1.0
226.09863	0.7
226.13506	0.2
227.07021	6.8
227.10490	1.6
227.14241	0.2
228.07448	0.2
229.08560	0.1
236.11958	0.2
237.12679	0.2
239.07069	0.6
239.10666	1.4
240.07776	0.1
240.11372	0.2
241.08588	1.2
241.12288	0.5
241.15794	0.7
251.10591	0.1
253.06354	0.1
253.08582	0.5
253.12221	0.2
254.09343	2.3
254.12976	1.1
269.11697	22.1
269.15286	8.8
270.11996	0.8
270.15451	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	269.0807
Annotation	Anemarcoumarin A
Peak:m/z	Relative Intensity
53.03936	1.3
55.01864	1.2
55.05509	6.0
57.03200	0.6
57.03435	6.7
57.07058	1.4
65.03618	0.8
65.03935	12.3
67.05504	50.1
69.07066	7.9
69.90567	2.4
71.04977	1.3
79.05075	0.8
79.05490	11.7
81.03384	0.9
81.07055	23.6
83.04982	8.1
83.08624	4.5
85.06532	1.5
89.03417	0.9
89.03914	13.5
91.05476	14.8
93.06493	0.9
93.07045	17.0
95.04980	2.8
95.08604	11.2
97.06516	3.8
97.10146	0.7
98.97939	0.5
99.08099	0.8
103.05432	1.0
105.03393	0.7
105.07011	2.9
107.04948	1.2
107.08598	10.9
109.06503	1.0
109.10171	1.1
111.08070	2.4
114.52357	0.6
115.05469	3.2
117.03384	3.9
117.07005	2.9
119.04971	3.5
119.08582	1.1
121.02837	0.6
121.06501	0.8
121.10157	4.5
128.06215	2.6
129.02415	1.2
129.03371	25.7
129.06960	2.8
131.04929	5.3
131.05870	0.9
131.08574	3.0
133.02831	2.2
133.10136	2.9
135.04373	1.4
135.08032	0.6
135.11685	3.1
141.06978	1.7
142.07782	1.4
143.08580	2.0
145.02849	27.8
145.03928	1.3
145.06465	1.1
147.04410	25.5
147.08081	0.6
147.11597	0.8
149.13252	10.2
152.06190	2.5
153.06985	1.7
155.08525	0.9
157.02852	42.8
157.06427	1.4
157.10138	1.2
158.03648	4.6
159.04437	3.3
159.11673	4.7
163.03871	1.4
165.07018	1.6
167.08524	3.0
169.06479	0.8
170.07233	1.0
171.04395	13.2
171.08029	2.5
173.02339	70.9
174.03102	2.1
175.03911	51.4
177.01805	0.7
177.06956	0.7
177.12770	2.4
179.08549	0.7
181.06462	1.1
183.08147	0.6
184.05167	2.1
185.02345	10.8
185.05949	4.0
185.09662	1.5
186.03119	4.9
187.03926	6.8
189.05447	1.4
191.03419	2.2
195.08037	8.1
195.11778	0.8
195.13788	2.8
197.05959	1.4
198.06734	1.7
199.03900	27.6
199.07547	6.3
199.14783	0.8
201.01826	82.7
201.05582	2.0
202.02431	2.7
203.03395	52.4
204.03654	1.2
208.05106	0.7
209.16573	0.6
211.07565	1.1
212.04698	1.3
213.05463	15.0
213.08737	2.8
215.03320	3.0
223.07530	4.6
226.06218	2.0
227.07030	40.1
233.48273	0.7
240.04353	0.8
241.08592	10.9
251.07095	5.1
254.09412	1.0
269.08090	100.0
269.11612	14.4
269.15186	3.7
269.17624	8.6
270.08286	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	269.0807
Annotation	Anemarcoumarin A
Peak:m/z	Relative Intensity
51.02380	0.8
55.01873	1.2
55.05515	6.0
57.03434	3.7
57.07064	2.7
65.03937	11.7
66.97984	0.7
67.05505	44.8
69.03420	1.2
69.07072	6.3
69.33871	5.8
71.04982	1.1
71.08621	0.7
78.89818	0.7
79.05499	7.7
81.03412	1.2
81.07053	14.0
83.04980	5.4
83.08598	3.0
89.03915	12.0
91.05481	10.5
93.07047	9.3
95.04965	2.2
95.08605	6.0
97.06514	1.9
103.05437	1.2
105.03411	0.8
105.07012	2.6
107.04933	0.9
107.08610	5.5
109.06511	0.9
109.10156	1.3
111.08079	1.3
115.05444	2.3
117.03369	3.0
117.07016	2.0
119.04943	2.7
119.08559	2.1
121.10138	2.7
123.11740	0.9
125.34100	0.8
128.06212	2.4
129.02414	1.3
129.03358	20.9
129.06982	2.9
131.04942	5.6
131.08572	1.1
133.02843	1.6
133.10127	2.5
135.11685	2.3
141.07028	1.9
142.07808	1.2
143.04903	1.7
143.08557	1.9
145.02852	26.1
145.03976	1.4
145.06464	1.8
147.04410	20.7
149.13293	4.8
152.06198	2.7
153.06995	1.3
155.04897	1.0
157.02852	37.1
157.06445	1.9
157.10135	1.5
158.03664	3.6
159.04378	4.2
159.11690	2.3
163.03854	2.2
165.06955	1.5
167.08578	3.0
171.04407	12.2
171.08058	2.3
173.02347	67.5
174.02998	1.7
175.03908	28.0
177.01723	1.2
177.12782	1.3
181.06419	1.2
184.05190	1.8
185.02362	11.6
185.05995	2.9
185.09570	1.6
186.03148	5.2
187.03908	6.2
191.03395	1.9
195.08064	5.8
195.13831	1.2
197.06052	1.3
199.03911	26.6
199.07585	4.9
201.01828	79.6
202.02441	2.8
203.03398	52.7
208.05324	1.6
212.04686	1.3
213.05443	10.8
213.09094	3.0
215.03419	2.9
223.07582	4.9
226.06216	0.9
227.07016	37.9
227.10559	1.3
236.04678	1.3
240.04156	1.1
241.08580	11.2
251.07016	4.3
251.14119	0.8
251.20049	1.4
269.08087	100.0
269.11551	6.9
269.15259	3.8
269.17487	4.7
269.22427	1.6
269.24942	1.1
270.08328	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
52.11023	1.0
53.03927	4.2
53.45708	0.9
55.01859	1.8
55.05504	8.6
57.03436	20.7
58.72599	1.3
67.05513	11.1
69.03420	2.2
69.07060	2.7
69.91723	1.1
69.93503	4.4
71.04977	2.3
79.05493	12.8
81.03418	100.0
81.07050	12.9
82.03741	1.5
83.04997	5.4
83.08153	1.2
83.08620	14.0
91.05478	18.7
93.07065	7.0
95.04381	1.5
95.04967	24.1
95.08586	3.7
97.02901	1.4
97.06509	2.2
98.20846	1.4
101.64906	1.1
104.55119	1.0
105.03374	2.2
105.07032	12.1
107.04945	4.1
107.08590	2.7
109.06509	2.8
109.10215	0.9
111.08078	6.2
115.05488	1.1
118.80727	1.0
119.08583	11.4
121.06555	2.4
121.10119	5.3
129.07005	10.1
131.08572	7.8
133.06477	2.6
133.10129	3.0
137.09532	1.3
142.07820	2.1
145.10199	1.0
147.08093	1.9
147.11703	6.8
149.09605	3.7
157.10104	7.6
165.12724	1.7
175.11232	8.3
193.12248	19.0
211.13243	1.9
267.15900	41.7
275.71887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.03268	0.2
55.01866	0.4
56.96558	0.9
57.03426	0.6
64.51308	0.2
69.03414	0.6
70.06574	0.6
71.51720	0.2
73.02901	0.3
84.08150	0.4
85.02898	0.6
87.04549	0.2
88.09750	0.2
94.04042	0.4
95.06068	0.2
97.02869	0.5
98.97586	0.6
105.03399	0.2
115.03959	0.3
116.98582	0.2
119.03530	0.8
124.03957	0.5
131.15506	0.2
136.06184	100.0
137.04585	0.5
137.06535	0.5
143.00140	0.2
146.99702	0.2
158.99701	0.2
172.02998	0.2
186.04547	0.2
190.03862	0.4
195.85358	0.2
211.91702	0.2
223.95601	0.2
268.10483	5.3
287.09048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
51.13042	0.2
51.82578	0.2
55.01867	0.2
57.03421	0.7
69.03436	0.4
70.70871	0.6
79.21219	0.2
85.02942	0.2
86.77962	0.2
94.04056	0.5
119.03557	0.7
130.93941	0.2
133.04948	0.2
136.06186	100.0
137.04651	0.5
137.06575	0.3
142.84392	0.2
268.10400	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	268.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14563	1.7
56.05040	2.1
56.96560	3.1
57.03454	3.6
57.07061	2.5
57.65731	1.8
59.04996	10.6
61.28030	1.8
62.53943	1.8
64.52336	1.7
67.05517	3.9
68.80615	1.6
69.07068	3.1
70.06595	11.3
71.52851	3.6
72.04520	4.3
72.08165	4.9
73.02882	2.3
73.34254	1.6
74.06071	6.6
75.06409	3.0
79.05489	3.4
80.05008	4.2
81.03378	3.0
81.07047	2.8
83.06093	2.2
84.04501	4.3
84.08159	6.7
85.06555	3.9
86.09704	3.8
91.05462	12.7
93.07084	2.2
95.04955	2.1
103.05473	2.0
105.03396	3.5
106.02924	3.2
106.06553	5.9
107.04963	11.8
109.02888	2.3
110.07164	3.0
111.23005	1.9
112.07613	4.1
117.05744	20.2
118.06561	17.7
119.04960	4.1
120.08105	6.2
121.06497	5.4
123.04440	2.6
124.03955	77.9
127.03876	1.8
129.10266	2.6
130.06511	8.9
131.07341	5.3
132.08092	71.2
133.05222	10.6
134.06035	5.1
136.06203	62.8
136.07582	18.3
144.08156	4.9
146.06012	100.0
147.06831	12.2
148.06400	3.7
148.07574	52.3
148.08719	3.4
150.09181	2.7
160.06264	4.1
160.07582	81.3
162.05534	6.6
166.08661	7.1
168.10228	3.2
172.07677	2.0
178.08720	2.1
186.12823	8.4
195.08936	12.6
204.06636	4.2
208.06873	2.3
214.12271	23.9
222.07632	13.3
224.12828	39.0
226.08023	3.7
232.13422	5.6
250.14580	4.1
268.08270	23.3
268.15494	92.7
269.15836	2.5
283.54376	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	267.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
54.03456	1.4
55.01864	1.2
55.05499	2.6
56.05022	3.5
56.96565	31.7
57.03420	2.8
57.07066	1.8
58.06583	1.7
59.04979	1.2
60.04521	6.0
60.05625	0.9
61.02925	2.1
67.05507	5.8
68.05030	4.3
69.03432	5.1
69.04560	1.7
69.07053	2.7
70.02941	1.2
70.06591	39.1
70.56749	1.5
70.57093	1.9
71.04974	0.8
71.08595	1.0
71.41992	0.9
72.08158	10.9
72.10640	0.9
73.02912	1.9
74.06071	2.9
74.97611	4.5
79.05485	2.1
80.05017	1.2
81.03407	2.9
81.04541	13.4
81.07037	3.1
82.04928	0.9
82.05315	25.9
83.06090	3.8
83.08652	1.1
84.04499	5.1
84.08139	20.8
84.96040	1.7
85.02909	11.9
85.04002	1.1
85.06548	1.3
85.08440	1.4
86.06059	2.5
86.09715	9.6
86.97607	1.1
87.04475	1.5
87.05575	1.3
88.04015	2.1
91.05486	1.9
93.04520	3.0
93.07034	1.1
94.05312	8.0
94.06568	6.9
95.04990	2.2
95.05518	1.8
95.06093	26.7
95.06700	1.3
95.08585	1.8
96.04524	0.8
97.02910	6.6
97.03991	3.6
97.07657	1.6
98.06069	1.2
98.97580	33.9
100.03992	2.0
101.02369	1.2
102.05555	1.4
102.96925	1.5
105.03390	13.6
106.06545	3.4
107.04945	1.9
108.04436	0.9
108.05592	8.4
109.02871	1.6
109.04018	4.2
109.06382	2.3
109.10132	1.2
110.07163	28.5
110.97540	2.1
112.07593	1.9
112.08726	2.0
113.07078	1.7
114.05533	3.1
115.08701	2.1
116.07079	3.0
116.98618	26.0
119.01908	2.3
119.04931	1.9
120.04442	1.3
120.05553	1.0
120.08089	1.4
120.94414	0.8
120.97914	1.6
121.02841	3.3
121.03958	1.9
121.07681	0.8
122.04758	3.5
122.06033	7.6
122.07141	18.1
123.04556	0.8
123.05559	3.0
123.07932	3.1
124.03973	2.0
124.05053	5.0
124.07680	1.1
124.08698	3.6
124.99054	1.0
125.07096	7.1
127.03944	2.4
128.98550	2.8
129.10242	9.7
130.08650	1.5
130.10614	1.0
132.98088	3.4
134.06012	2.6
134.99651	15.5
135.06670	2.6
136.05048	13.3
136.06174	16.7
136.07288	1.4
136.07632	1.2
137.04611	1.2
137.05937	2.0
137.07066	1.9
139.08607	1.2
140.00208	1.6
141.06622	1.2
143.00171	2.9
144.04747	2.3
145.05003	3.1
146.04321	5.4
146.06015	1.3
146.99622	3.8
147.04369	2.9
149.07097	1.1
150.05499	100.0
150.99133	10.7
151.03899	3.1
151.05856	1.1
152.04561	2.7
152.05743	1.6
152.07069	3.2
152.98573	1.3
153.00694	1.7
153.06589	3.7
154.07317	2.3
155.08157	0.9
156.07640	1.0
156.98112	0.9
158.01212	1.8
158.05957	0.9
158.99597	5.7
160.07530	1.5
160.08716	2.5
161.01222	7.4
162.05507	1.3
162.99176	1.8
164.04530	2.7
165.00691	1.1
165.06599	1.2
168.06544	3.5
169.00145	4.6
173.01189	1.4
173.04845	1.0
174.00719	1.7
174.99107	4.1
175.03951	1.5
175.11876	1.0
176.02184	1.3
176.08180	2.3
177.00694	8.6
177.06610	1.7
177.11349	2.4
177.61797	0.9
178.04997	1.1
178.09732	2.4
179.02269	2.0
179.08205	1.0
181.00192	0.9
182.99452	1.0
183.01691	1.1
188.97099	1.6
189.00702	2.0
190.95412	1.1
190.98598	1.3
193.00230	6.0
193.07285	4.0
194.03368	0.8
195.07687	1.7
198.04340	1.2
200.02374	1.9
201.00601	1.8
203.02110	1.1
203.09245	4.2
205.10922	7.7
206.98058	4.0
207.01727	1.4
207.10196	5.6
211.02826	1.0
214.13158	0.9
219.01715	1.4
221.10521	5.5
222.07368	2.1
222.11084	3.2
223.07030	1.5
224.98994	1.3
226.07164	1.0
231.08751	4.9
233.10329	9.6
237.02742	2.4
239.00731	2.0
248.99170	6.3
249.09853	24.1
250.10559	2.9
262.03171	2.3
267.00226	17.9
267.11053	18.0
267.13495	2.3
267.17114	1.8
268.10406	1.1
285.01273	9.7
285.03967	2.2
285.10092	2.1
289.29337	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.4
51.02378	0.6
53.03946	5.6
55.01868	0.7
57.03440	1.1
59.12552	0.2
61.02917	0.4
67.05493	0.2
68.98898	0.2
69.03428	9.0
69.28339	2.1
71.04995	1.0
73.02905	0.5
77.03922	1.2
79.05492	5.7
81.03416	17.4
81.07075	0.5
85.02905	9.7
88.80647	0.2
90.19395	0.2
95.04968	7.6
97.02888	2.6
98.20786	0.5
99.04458	1.7
105.03390	100.0
106.03736	1.3
109.02879	7.6
110.59682	0.2
123.04430	6.7
127.03916	4.1
145.04936	0.4
157.10104	0.2
175.99953	0.2
237.42937	0.2
249.07588	7.1
267.08646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0861
Annotation	Luisol B
Peak:m/z	Relative Intensity
50.07756	0.5
52.10636	0.4
52.39358	0.4
52.87225	0.5
53.03942	0.9
55.01874	0.9
55.05496	1.5
56.48141	0.5
57.03447	2.5
61.20921	0.6
65.03917	0.9
67.05510	2.8
69.03428	1.2
69.07054	1.2
69.89708	3.0
71.04975	0.7
72.08174	0.6
72.28651	0.6
76.62214	0.5
79.05505	3.6
79.64326	0.5
81.03422	12.3
81.07059	4.1
83.04968	0.6
83.08599	1.7
91.05479	5.5
93.03408	0.9
93.07046	3.9
95.04957	4.2
95.08620	2.9
97.06509	0.8
97.10185	0.9
103.05453	0.7
104.06236	0.7
105.03402	4.5
105.07024	3.6
107.04942	1.5
107.08574	1.5
109.02869	1.4
109.06509	1.5
109.10177	0.9
111.08071	0.6
119.05003	0.6
119.08572	2.2
121.02876	0.6
121.06490	0.9
121.10135	1.8
123.00832	0.6
123.04397	0.7
123.08120	0.6
125.05947	0.8
129.07008	1.3
131.04898	1.2
131.08548	1.8
132.05679	0.7
133.06522	0.9
133.10135	1.6
135.00841	0.5
135.04414	1.6
135.08105	0.9
137.06003	0.7
137.09665	0.6
138.03209	0.7
143.08572	0.7
145.10147	0.6
147.04352	0.5
147.08051	0.8
147.11679	2.1
148.92883	0.5
149.02309	2.0
149.05963	0.5
149.09616	0.9
153.05450	1.4
157.10101	1.5
160.05269	2.8
160.06360	0.6
161.05965	0.9
163.03912	3.1
165.01797	0.9
165.05437	0.6
166.02620	2.1
175.03906	2.5
175.11200	1.4
176.04684	0.7
177.01840	0.7
177.05457	1.4
179.03340	0.7
181.04924	1.7
184.07646	0.6
187.03883	0.8
188.04678	3.5
189.05400	1.0
191.03397	10.5
193.01378	0.6
193.04895	1.5
193.12228	1.5
194.02129	9.6
196.07552	1.2
197.08359	0.8
198.09126	2.0
203.03366	0.9
205.04956	4.1
206.05687	1.0
207.02887	2.6
207.06543	0.9
208.03592	2.5
209.00822	10.7
209.04396	4.3
210.09077	1.0
216.04173	2.4
217.01236	0.9
219.02898	19.5
221.04460	7.7
222.01601	9.8
223.06001	8.4
224.10692	2.2
233.04456	1.3
235.02290	0.6
237.03943	60.8
238.04291	0.6
249.18517	1.3
251.05504	2.2
252.06296	12.3
252.13747	3.6
253.06505	0.6
267.08630	100.0
267.15918	8.3
268.08942	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.4
51.02368	0.6
53.03948	5.4
55.01868	1.3
55.05506	1.9
56.77288	0.3
56.96558	0.4
57.03439	4.5
57.07067	0.5
61.02919	0.6
67.05503	3.7
69.03432	8.7
69.07064	0.9
69.28347	2.8
70.06581	0.3
71.04657	0.3
71.04984	1.8
77.03923	1.0
78.59205	0.2
79.05495	9.2
81.03418	27.9
81.07056	3.9
83.04985	1.8
83.08630	2.4
85.02907	9.2
85.06541	0.7
87.04427	0.3
91.05480	4.9
93.07050	2.5
93.52730	0.3
95.04965	10.7
95.05571	0.6
95.08611	2.8
97.02895	3.4
97.06535	0.8
97.10177	0.5
99.04441	2.0
99.61736	0.3
105.03391	100.0
105.04537	2.6
105.07010	3.7
106.03732	1.3
107.04960	1.0
107.08582	1.2
109.02882	5.5
109.06525	1.4
109.10132	1.3
111.04440	0.6
111.08089	1.2
113.06007	1.8
117.07039	0.4
119.04951	0.4
119.08582	3.0
121.02838	0.3
121.06514	0.8
121.10130	1.5
123.04430	7.7
123.08051	0.5
125.09655	0.4
127.03917	4.0
128.06157	0.4
128.49707	0.3
129.07010	1.2
131.08577	1.8
133.06496	0.7
133.10156	1.5
135.04382	0.3
135.11644	0.3
137.05977	10.3
137.09552	0.3
142.07698	0.6
143.08569	0.6
144.86169	0.3
145.04930	0.4
145.10135	0.7
147.04410	0.4
147.08057	0.6
147.11697	1.6
149.09634	1.1
155.07085	0.4
155.08421	0.4
157.10110	1.6
161.05968	0.3
161.09657	0.3
163.11226	0.4
165.12730	0.5
169.10075	0.6
171.11665	0.5
175.11237	1.4
183.11707	0.4
185.13322	0.3
189.09125	0.5
193.12256	3.3
196.59546	0.3
207.06560	0.5
211.13184	0.5
211.14943	0.4
217.08678	0.6
249.07571	5.0
249.11328	0.7
249.14825	0.7
249.18666	0.5
267.08389	0.4
267.10208	1.0
267.13040	0.5
267.13910	0.3
267.15933	7.7
267.21268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.3
51.02380	0.5
51.74969	0.2
52.58712	0.2
53.03709	0.4
53.03947	4.4
55.01872	0.7
55.05505	0.7
56.84085	0.2
57.03442	2.1
57.07072	0.5
61.02915	0.4
65.03938	0.2
67.05511	1.5
68.02475	0.2
69.03432	6.7
69.07069	0.7
70.06605	0.3
71.05004	0.9
71.08661	0.2
71.19069	0.4
72.08157	0.3
77.03906	1.1
79.05495	8.3
81.03419	11.0
81.07062	1.6
82.03748	0.2
83.04985	0.5
83.08627	1.1
84.08159	0.2
85.02907	9.6
85.06544	0.4
90.73328	0.2
91.05479	2.1
93.07047	1.0
95.04969	7.6
95.08620	1.4
97.02893	2.6
97.06522	0.5
98.97630	0.2
99.04444	1.1
105.03393	100.0
105.06996	1.4
106.03726	0.8
107.04971	0.6
107.08572	0.9
109.02875	3.9
109.06509	0.6
109.10147	0.5
110.03218	0.8
111.04434	0.4
111.08070	0.4
115.05461	0.2
117.07007	0.4
119.04932	0.3
119.08552	1.1
120.04502	0.4
120.08127	0.4
121.02848	0.2
121.06519	0.2
121.10162	0.7
123.04430	8.6
123.08047	0.3
127.03916	3.3
129.06985	0.7
131.08553	0.5
131.18568	0.2
131.35490	0.2
133.06450	0.3
133.10127	0.8
135.08104	0.3
135.11720	0.2
137.09616	0.3
143.08620	0.3
145.04961	0.4
145.10162	0.4
147.04372	0.4
147.11707	0.7
149.09615	0.3
157.10117	0.5
161.09636	0.2
165.05493	0.2
165.12645	0.2
167.03436	0.5
175.11203	0.4
189.05540	0.3
189.09058	0.5
193.08539	0.2
193.12279	1.0
203.10683	0.2
207.02922	0.3
207.06575	0.6
207.10162	0.2
213.16447	0.2
231.10124	0.4
249.07570	1.6
249.11223	0.3
249.14941	0.2
249.18462	0.4
267.08719	0.8
267.15994	2.6
267.19183	0.4
274.51199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.6
52.06642	0.3
53.03943	5.3
55.01857	0.9
55.05511	0.8
55.86438	0.3
57.03447	2.1
57.07069	0.4
58.33737	0.4
59.22724	0.3
61.02927	0.6
67.05515	1.5
69.03426	6.4
69.07073	0.8
69.43273	2.2
70.06583	0.4
71.04984	1.0
77.03932	0.9
79.05498	8.1
81.03417	11.3
81.07068	2.5
83.08620	0.9
85.02904	9.3
85.06512	0.5
91.05476	1.6
93.07048	1.5
95.04971	8.3
95.08632	1.6
97.02893	2.7
97.06516	0.4
99.04462	1.0
105.03391	100.0
105.06985	1.7
106.03728	1.0
107.04950	0.6
107.08594	0.8
109.02888	3.7
109.06483	0.5
109.10156	0.9
111.08104	0.5
115.05466	0.3
117.06993	0.4
119.08569	1.7
121.06616	0.3
121.10175	0.7
123.04430	9.2
127.03895	3.0
129.07030	0.6
131.08575	0.7
133.10138	0.7
134.05971	0.4
135.08200	0.5
147.11780	0.6
149.09583	0.3
157.10143	0.9
165.12878	0.4
175.11113	0.4
193.12224	0.9
207.06404	0.4
211.07475	0.4
225.42940	0.3
231.71033	0.3
246.14865	0.3
249.07588	1.3
249.15141	0.4
249.18404	0.5
267.08240	0.6
267.10522	0.5
267.13431	0.6
267.15973	2.1
267.19345	0.6
286.65283	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.3
50.14715	0.2
51.02382	0.8
53.03714	0.3
53.03949	4.9
55.01858	1.0
55.05511	1.8
57.03437	3.7
61.02911	0.6
67.05500	3.0
69.03429	8.5
69.07063	1.5
70.06590	0.5
70.17039	1.2
71.04977	0.9
72.08149	0.6
74.06068	0.3
77.03921	1.0
79.05016	0.4
79.05490	9.9
81.03417	19.1
81.07062	3.7
83.04967	1.1
83.08593	1.7
85.02905	9.5
85.06546	0.6
87.04446	0.3
91.05477	3.6
93.07040	3.1
95.04967	10.3
95.08596	2.4
97.02891	3.1
97.06535	1.0
99.04453	1.0
105.03391	100.0
105.07009	3.3
106.03746	1.0
107.04964	1.1
107.08560	1.6
109.02879	4.3
109.06519	0.9
109.10137	1.3
110.03221	0.4
111.04460	0.4
111.08086	0.5
115.05431	0.4
115.65595	0.3
117.07004	0.4
119.08576	2.3
121.06520	0.9
121.10154	1.8
123.04429	8.6
123.08067	0.6
125.09609	0.3
127.03919	3.1
128.06221	0.3
129.06998	1.5
131.08578	1.9
133.06497	0.6
133.10146	1.0
134.05975	1.4
135.08060	0.5
135.11722	0.7
135.54897	0.3
137.02315	0.3
137.09619	0.7
143.08591	0.3
145.06572	0.3
145.10161	0.7
146.84979	0.3
147.08006	0.7
147.11668	1.1
149.09634	0.8
151.07489	0.4
157.10153	1.2
159.08061	0.5
161.05986	0.3
161.09613	0.6
161.13104	0.3
163.11206	0.4
165.12762	0.4
175.11191	1.3
193.12259	2.6
207.06528	0.9
231.17458	0.4
249.07576	1.4
249.11220	1.5
249.14972	0.6
249.18497	0.8
267.08612	0.8
267.12994	0.5
267.15915	5.9
280.08182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.3
51.02372	0.5
53.03712	0.3
53.03947	4.2
55.01863	0.8
55.05500	1.0
57.03442	2.4
61.02925	0.7
67.05511	2.2
69.03426	7.8
69.07072	1.0
70.06574	0.3
70.16467	1.0
71.04983	1.0
72.08160	0.3
73.02924	0.4
74.06093	0.2
77.03918	0.7
79.05493	8.6
81.03421	11.1
81.07063	2.2
83.04983	0.6
83.08622	0.9
85.02906	10.8
85.06530	0.5
91.05470	2.0
93.07053	2.3
93.22129	0.2
93.89338	0.2
95.04968	8.7
95.08585	2.0
97.02891	2.6
97.06538	0.4
97.10199	0.3
99.04449	1.0
105.03391	100.0
105.07021	2.2
106.03722	0.9
107.04973	0.6
107.08591	1.0
109.02885	4.1
109.06535	0.5
109.10178	0.7
110.03210	0.5
111.04469	0.3
111.08070	0.6
111.35083	0.2
117.07029	0.3
119.08578	1.9
120.08118	0.3
121.02851	0.3
121.06516	0.6
121.10158	1.2
123.04424	8.8
123.08053	0.5
125.09639	0.3
127.03917	3.6
129.07011	0.8
131.08585	0.8
133.06432	0.2
133.10129	1.7
134.05986	0.2
135.11731	0.4
137.09624	0.3
143.08577	0.5
145.04979	0.4
145.10127	0.6
146.79117	0.2
147.11670	1.1
149.09627	1.0
155.08588	0.3
157.08974	0.3
157.10159	0.9
159.11702	0.6
169.10172	0.5
175.11119	1.1
185.13313	0.5
189.09071	0.2
189.16438	0.3
193.12254	1.2
197.13240	0.4
205.12331	0.3
207.06482	0.3
207.14091	0.2
211.14819	0.4
213.16379	0.4
239.01527	0.3
239.10686	0.3
249.07599	2.5
249.18520	0.3
261.03851	0.3
267.08667	0.9
267.15955	2.0
267.21503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.4
51.02376	0.5
53.03719	0.3
53.03948	4.7
55.01864	0.4
57.03429	1.3
61.02910	0.5
61.25161	0.3
63.78671	0.3
69.03429	5.9
69.50119	2.2
71.04982	0.5
71.73454	0.3
72.08157	0.4
73.13707	0.3
77.03915	1.5
79.05493	6.6
81.03418	6.3
85.02905	9.7
90.21846	0.3
95.04971	7.9
97.02882	2.7
99.04445	1.4
101.80609	0.3
103.82420	0.3
105.03391	100.0
105.04539	2.5
106.02949	0.6
106.03671	0.7
107.26611	0.3
109.02887	2.5
120.08090	0.6
123.04429	8.8
124.03961	3.5
127.03891	3.1
145.04955	0.5
189.35765	0.3
213.37427	0.3
225.64815	0.3
249.07648	1.4
267.08719	1.0
267.16449	0.3
268.08151	0.8
287.90195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.3
51.02378	0.6
51.21331	0.2
53.03715	0.3
53.03947	4.3
55.01864	0.6
55.05501	0.6
56.17979	0.2
57.03439	2.0
57.07054	0.3
61.02923	0.4
67.05521	1.4
69.03431	7.3
69.07068	0.7
70.06584	2.0
70.76431	0.6
71.02374	0.2
71.04990	1.5
72.08154	0.8
77.03927	0.8
79.05493	7.8
81.03419	10.3
81.07057	2.1
82.03732	0.2
83.04977	0.6
83.08626	0.7
84.08141	0.9
85.02906	9.1
85.06538	0.3
91.05482	1.5
93.07050	1.1
95.04973	7.6
95.08603	1.7
97.02887	2.5
97.06528	0.5
99.04448	1.2
105.03393	100.0
105.07027	0.9
106.03737	0.9
107.04957	1.0
107.08617	0.8
109.02876	5.8
109.06519	0.7
109.10144	0.4
110.03187	1.1
111.04435	0.3
111.08119	0.3
113.06013	0.4
119.08571	0.9
120.08072	0.5
121.02809	0.2
121.06484	0.3
121.10113	0.5
122.33173	0.2
123.04433	8.1
123.08063	0.6
124.03938	1.0
127.03915	3.7
131.08534	0.4
132.83774	0.2
133.06470	0.2
133.10097	0.5
135.04376	0.3
135.08055	0.3
135.11662	0.5
136.06189	0.3
137.05942	0.3
143.08562	0.3
145.04999	0.5
145.10139	0.3
147.04436	0.3
147.08051	0.4
147.11691	0.5
149.05969	0.3
149.09648	0.4
157.10129	0.4
161.05960	0.4
161.09579	0.3
167.03435	0.4
168.06525	0.5
169.06967	0.4
171.11760	0.4
175.03886	0.3
175.11288	0.3
178.06255	0.5
185.81284	0.2
189.09299	0.2
193.08659	0.5
193.12236	0.5
205.90529	0.2
207.06590	0.7
213.16447	0.3
216.04396	0.2
231.10321	0.2
231.17461	0.4
249.03839	0.3
249.07584	1.7
249.13126	0.3
249.18416	0.5
267.08469	1.4
267.15955	1.0
268.08307	0.2
270.21783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1541
Annotation	Glycomaurrol
Peak:m/z	Relative Intensity
55.34778	0.2
55.57608	0.2
63.00348	0.1
67.05505	0.3
69.03448	0.2
70.16278	0.6
70.16675	0.3
74.19863	0.2
75.76181	0.2
81.03400	0.2
83.04976	0.3
99.85822	0.2
103.87237	0.2
143.07301	0.2
154.06657	0.2
156.08089	1.3
157.08842	0.4
167.07297	0.6
168.08043	1.2
169.08868	1.5
170.09694	1.2
171.10434	1.6
172.07590	0.3
180.08072	1.4
181.08847	0.8
182.06081	0.2
182.09659	2.4
183.06898	0.4
183.10379	0.4
184.07619	0.3
192.07939	0.3
193.08861	0.4
194.09630	1.9
195.06853	0.3
195.10422	0.7
196.07582	5.9
196.11230	1.0
197.08336	1.9
198.09077	0.3
200.74196	0.2
208.07645	1.1
208.11203	4.8
209.08383	1.2
209.11609	0.2
210.07072	0.4
210.09145	17.6
211.09926	23.7
212.10300	0.4
218.09610	0.8
220.11105	0.2
221.08336	0.4
222.09183	0.7
222.12775	0.6
223.09995	0.9
223.13560	0.5
224.10764	0.6
233.11981	0.3
234.12820	1.4
236.10703	10.3
238.08661	0.2
238.15924	1.8
248.14328	0.8
249.14973	0.3
250.12309	2.6
251.05763	0.7
251.13063	11.3
252.13397	0.2
264.14050	0.2
266.08121	2.2
266.15393	100.0
267.15720	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	266.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49556	0.3
53.03951	1.7
55.05519	0.4
57.03439	0.3
59.04973	0.5
61.02930	1.5
69.03417	1.5
70.06586	0.9
70.68728	0.8
71.04990	1.7
79.05502	1.9
80.25796	0.3
81.03422	3.6
81.07050	3.6
84.04496	0.9
85.02894	1.3
88.24753	0.3
91.05482	0.8
91.21224	0.3
93.95123	0.3
94.04053	1.6
95.04949	1.2
97.02868	0.5
99.04419	0.3
102.44238	0.3
105.03386	16.9
109.02865	10.3
111.94465	0.3
119.03548	2.5
123.04449	1.7
127.03870	0.7
130.04947	0.8
136.06174	100.0
137.04547	1.3
144.83237	0.3
156.11327	0.3
225.32956	0.3
234.13481	19.4
266.16098	46.2
267.16431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1539
Annotation	Glycomaurrol
Peak:m/z	Relative Intensity
53.03950	1.6
55.01865	2.0
55.05505	3.7
56.92878	1.2
57.03426	2.0
60.86992	1.3
62.19754	1.2
67.05510	6.6
69.03430	3.4
77.82223	1.2
79.05489	2.3
81.03426	11.8
81.07058	3.6
83.04969	5.3
90.98705	1.2
91.05468	3.0
93.07051	2.3
95.04984	2.8
95.08591	2.5
105.03370	3.0
105.07015	2.8
107.04903	1.2
107.08580	1.2
109.02866	6.3
109.10099	1.7
130.06523	9.4
147.11710	1.6
154.06499	1.5
155.07327	2.2
156.08054	1.8
167.07303	8.3
167.08508	1.4
168.08093	48.5
169.08751	5.3
170.09555	2.5
179.08578	3.1
180.08073	20.5
181.08861	100.0
182.09673	20.7
183.10406	9.3
184.11220	7.2
191.07245	2.5
192.09435	1.3
193.08884	3.9
193.12163	1.4
194.07942	2.4
194.09622	22.7
194.11157	2.2
195.10400	9.1
196.11215	92.0
197.08287	1.2
197.11656	2.4
204.08008	2.2
205.08885	5.1
206.09659	14.1
207.10405	4.2
208.11206	20.0
209.08365	3.5
209.11978	4.7
210.09154	3.3
210.12704	9.3
212.10713	3.1
218.09668	23.9
219.10298	8.1
220.11224	34.0
221.11960	14.9
222.12775	10.3
223.13530	6.1
224.10725	21.6
224.14316	3.5
232.11195	15.1
233.11978	28.5
234.12796	16.9
235.13509	11.9
236.10892	6.0
236.14337	56.3
238.15886	32.4
248.14359	37.1
250.12376	2.0
251.05859	2.1
251.13057	7.4
264.14014	1.3
266.07993	8.3
266.15399	90.7
267.06052	1.7
267.15891	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	266.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
53.67642	0.2
54.68259	0.1
55.01857	0.3
55.05502	0.8
56.05023	0.8
57.03433	0.3
57.88387	0.2
59.04984	0.8
59.05247	0.2
61.02925	1.3
65.03930	0.3
67.05481	0.2
69.03427	0.4
69.07047	0.3
70.06586	1.5
71.04984	1.8
71.52777	0.3
72.08147	0.5
79.05489	1.1
81.03411	3.5
81.07047	3.2
83.08624	0.2
84.04498	18.7
84.08121	0.7
85.02893	0.6
85.04793	0.2
86.09681	0.5
89.03941	0.2
91.05474	16.6
93.07037	0.4
94.04056	1.4
95.04951	0.5
95.08604	0.2
97.02902	0.2
97.06589	0.2
98.97544	0.2
102.05533	5.7
104.03443	0.3
105.03380	2.1
106.06538	0.3
107.04944	0.7
109.02874	10.8
111.04439	0.3
112.05128	0.2
112.07574	0.3
114.05502	0.2
117.03370	0.7
119.03545	2.0
119.08622	0.3
120.08067	0.5
121.02868	0.3
122.80650	0.2
129.10257	0.2
130.04993	20.3
134.05974	0.3
135.04396	0.5
136.06171	100.0
137.04564	1.8
139.45786	0.2
145.02826	1.8
146.05997	0.2
147.04393	0.2
148.04854	0.4
148.06036	6.9
149.05988	0.2
150.07686	0.3
162.05542	0.3
163.03906	0.2
167.10759	0.2
168.06567	0.4
174.08972	0.2
177.05449	3.1
195.10309	0.2
196.11127	0.3
220.09654	0.9
234.13480	17.8
248.09259	0.5
249.07513	0.2
266.10297	1.1
266.16092	46.5
267.16434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
54.01313	0.7
55.01866	1.3
55.05511	1.6
56.05016	2.2
57.03427	0.8
58.60076	0.7
65.03923	1.7
67.05506	1.2
69.03408	1.6
69.07059	1.6
70.06594	6.1
71.52831	0.8
72.08136	2.1
79.05473	1.3
81.02927	1.2
81.03413	18.6
81.07041	1.4
83.08631	0.8
84.04502	78.7
84.08134	1.6
84.45320	0.8
85.02911	2.3
86.09679	1.8
91.05480	77.2
92.05795	1.1
93.07041	1.6
95.04945	1.3
95.08558	1.0
97.02879	2.1
99.04419	1.6
102.05545	26.6
105.03390	10.8
105.07034	1.5
106.06556	1.2
107.04964	3.3
109.02880	50.0
112.07586	2.1
117.03421	1.1
119.04903	0.9
120.08100	1.8
120.08901	1.1
121.02885	1.5
121.10175	1.0
125.69985	0.8
126.05515	1.3
126.12751	0.8
130.04999	100.0
134.06009	1.9
135.04463	3.6
136.05145	1.1
136.06113	1.3
137.05972	1.1
138.05527	1.5
145.02835	3.8
147.04352	1.0
148.04869	1.8
148.06049	34.0
149.06007	2.6
150.05501	2.2
163.03835	1.0
166.89412	0.9
167.10649	1.2
168.06564	5.0
177.05479	6.5
190.06255	1.6
206.08873	2.1
207.06541	1.5
208.07222	0.8
220.09596	3.6
229.89607	0.8
233.08098	1.0
240.05966	0.8
248.09172	5.1
248.12762	1.6
266.10370	6.8
266.13998	3.2
266.17569	3.0
266.21191	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01875	1.1
55.05499	2.6
58.02126	0.8
60.04529	12.4
61.01150	1.4
67.05498	2.8
67.17261	0.8
69.03423	2.4
69.07072	1.3
70.02946	3.0
70.06590	9.1
70.40854	3.6
71.05004	1.0
74.89780	0.8
79.05492	2.6
81.03419	27.0
81.07050	3.6
83.04963	1.8
84.08151	0.9
85.02906	1.5
86.09691	0.9
86.24010	0.8
87.02691	2.5
88.03993	52.0
91.05482	77.1
93.07047	2.3
95.04970	1.8
95.08621	6.3
97.02896	1.4
97.41442	0.8
102.05545	90.5
105.03386	10.0
105.07020	1.3
107.04955	1.9
107.07368	0.9
107.08593	1.1
108.08194	0.9
109.02883	100.0
109.10123	1.4
110.03246	1.4
112.07570	4.0
119.08595	1.1
120.04422	1.4
120.08104	1.8
121.02856	1.9
121.10187	1.1
123.04441	1.2
125.06048	1.0
126.77821	0.8
127.03876	0.7
130.04976	1.1
133.03163	3.3
134.06023	1.1
134.09654	1.2
137.02342	2.5
137.09590	1.1
146.06033	1.6
146.10509	1.0
148.06050	51.9
152.14349	4.4
168.08095	2.3
177.05464	1.2
180.07939	1.3
181.08865	7.7
183.10481	5.3
184.11137	1.2
194.09621	1.6
196.11238	15.2
196.13100	1.7
202.08714	0.9
204.17514	4.0
206.08018	1.7
206.19005	2.2
208.11195	1.7
209.12057	1.3
210.12790	1.7
220.09439	6.1
220.11313	3.1
221.12067	2.5
222.12965	1.2
223.13579	1.9
224.10750	2.9
233.12051	3.3
234.07759	1.4
235.13580	3.0
236.14374	8.1
238.16054	4.1
248.09373	2.8
248.14391	5.1
248.16663	1.0
248.20076	2.6
251.13139	1.0
266.04816	1.3
266.10226	5.2
266.12317	3.2
266.15308	18.9
266.21167	17.4
267.99973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1547
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
51.09519	0.3
53.54010	0.3
55.01854	0.3
55.05510	0.6
63.02365	0.5
70.06570	0.3
71.05105	0.5
72.07755	0.7
72.08156	12.0
81.03443	0.5
89.03911	4.5
89.10786	4.8
91.05491	0.7
93.07021	0.3
98.06042	1.0
103.05464	0.3
105.03388	6.0
115.08686	1.5
117.03377	21.7
120.08069	0.9
121.02908	0.4
126.09161	0.4
134.03656	1.4
134.05986	0.4
135.04424	1.1
135.97400	0.3
145.02840	63.9
146.03159	0.9
149.05971	8.7
152.02657	0.3
155.62271	0.3
161.32988	0.3
162.09140	4.1
163.03848	0.8
172.25781	0.3
177.05463	100.0
178.05850	1.2
186.05463	0.8
230.67381	0.3
248.12822	7.2
265.12604	0.8
265.15448	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	265.2163
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
50.00464	1.1
51.32026	1.1
53.03954	1.6
55.05509	15.9
57.07076	8.7
65.03930	2.3
67.05508	100.0
69.07072	21.5
69.31274	11.7
70.06597	2.0
71.04988	2.7
71.08627	3.2
79.05495	16.3
81.03446	1.2
81.07061	89.7
82.07377	1.6
83.08631	11.0
85.06543	2.8
85.10174	1.6
88.07631	2.2
91.05474	4.2
93.07048	15.9
95.04977	2.3
95.08611	86.6
96.08927	1.4
97.06526	3.6
97.10170	6.9
104.72549	1.2
105.07023	3.1
107.08613	11.0
109.10160	62.9
111.08099	1.8
111.11710	1.7
119.08566	2.2
121.10151	11.6
122.07204	2.4
123.11706	20.1
131.08565	3.1
132.10226	4.4
133.10149	2.1
135.11699	8.6
137.13229	4.8
149.13246	5.2
151.14790	1.5
159.11697	2.8
163.03874	2.5
163.14838	1.6
173.13150	2.2
181.10252	1.3
209.15352	2.4
247.20398	2.3
247.24298	5.7
256.26407	5.5
265.19412	1.9
265.21756	18.2
265.25244	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	265.1335
Annotation	dmbi
Peak:m/z	Relative Intensity
50.10639	0.1
51.02379	0.2
53.03950	1.0
67.05544	0.1
69.76964	0.6
77.03945	0.2
79.05495	0.3
81.03401	0.2
91.05501	0.4
95.04971	2.2
95.08611	0.1
98.20815	0.2
103.05492	0.3
105.03395	25.5
105.04540	0.7
106.03724	0.3
115.05443	0.7
117.05759	0.2
117.07021	4.3
118.06575	0.3
122.06030	1.8
122.60496	0.1
128.04956	0.2
128.06197	0.1
132.08090	0.4
143.07312	2.2
144.08086	100.0
145.06580	0.8
145.08421	1.7
148.07562	0.6
155.06050	0.5
165.49966	0.2
175.07689	0.1
204.08029	0.2
220.11143	0.2
221.62964	0.1
230.09630	0.7
233.08350	2.0
237.08746	0.1
248.10709	3.5
265.13403	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	265.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03476	0.6
55.01868	1.0
55.05514	2.2
56.05019	1.2
56.96300	0.7
56.96564	10.7
57.03440	1.6
57.07065	0.9
60.04508	0.7
60.05632	0.5
60.95837	0.6
61.02921	1.7
67.05505	1.7
68.05022	0.5
69.03426	3.3
69.07052	1.5
69.92577	1.6
70.06590	14.1
71.04984	0.9
71.06915	0.4
71.95243	0.6
72.08157	8.0
73.02922	1.7
73.06547	1.1
74.06073	0.9
74.82096	0.3
74.97614	0.7
79.05491	1.3
80.05007	1.2
81.03411	1.2
81.04537	14.5
81.07038	1.1
82.06568	0.4
83.04965	0.4
83.06089	0.5
83.08616	0.7
84.04504	1.8
84.08137	5.2
84.96051	0.8
85.02910	4.2
85.04035	1.9
85.06525	0.4
86.09702	2.2
87.04448	0.5
89.10773	0.6
91.03955	0.4
91.05483	1.5
93.04539	0.4
93.07040	1.1
94.01781	0.3
95.01381	0.3
95.04972	0.9
95.06082	0.7
95.08591	1.4
96.04520	0.4
97.02885	3.5
97.03986	0.9
97.06532	0.7
97.10193	0.4
98.06031	0.7
98.09718	0.5
98.20860	0.4
98.97579	11.3
99.04469	0.4
99.29780	0.4
100.04029	0.3
100.07614	0.5
102.96941	0.5
105.03396	1.2
105.07019	0.8
107.04951	1.1
107.08554	0.5
109.02856	1.1
109.06544	0.6
109.10135	0.6
110.01320	0.4
110.07156	2.3
110.97578	1.4
111.69905	0.3
112.08768	0.5
112.99117	0.5
113.02972	0.8
113.07122	0.8
114.05511	1.2
114.09105	0.9
115.03947	1.0
116.07117	1.2
116.97825	0.7
116.98620	8.5
117.03366	1.4
117.07057	0.4
119.01820	1.1
119.04979	0.5
119.08599	0.5
120.97897	0.4
121.01648	0.7
121.06490	1.1
121.10134	0.5
122.07149	100.0
123.05557	1.5
125.07091	3.2
126.03729	1.3
127.03916	1.1
128.02306	0.8
128.98608	1.7
129.10271	1.9
130.06561	1.8
130.08627	0.6
131.00182	1.3
134.99657	4.9
135.04443	0.4
135.11716	0.5
136.06175	0.5
136.07573	1.2
137.06012	0.7
139.03877	0.4
139.46103	0.4
140.00172	0.7
140.04573	0.6
141.03008	0.4
143.00165	1.0
144.04781	28.9
144.98085	0.8
145.01738	0.6
145.02831	4.7
145.05028	0.4
146.05954	0.4
146.99606	1.8
147.03320	0.5
147.04398	0.8
147.08012	0.5
148.07547	0.4
148.11163	0.6
149.01228	1.5
149.05965	0.9
149.07079	0.5
150.05533	0.5
151.05029	3.3
152.04512	0.6
152.07117	0.6
152.98576	0.4
153.00729	0.5
153.06633	0.6
155.02841	0.5
155.04668	3.4
155.54807	0.5
158.01256	0.7
158.05997	0.7
158.99602	1.9
161.01233	1.6
162.99126	1.8
163.02655	2.1
164.05191	1.2
165.00693	1.2
165.06729	0.7
170.99667	0.6
173.01251	0.8
173.13211	0.4
174.99062	0.4
175.02675	1.0
175.04414	1.0
177.00703	3.5
177.05452	7.6
179.02325	0.5
181.00156	0.7
184.03120	1.0
184.04903	1.6
187.02760	0.5
189.00757	1.0
191.07103	1.2
191.09288	0.4
192.07741	1.0
193.00256	0.6
194.09290	1.5
194.15422	1.9
195.01753	0.4
197.01172	0.4
200.04413	0.5
201.00717	0.5
203.02328	0.5
204.04651	1.3
205.00157	1.7
205.03877	0.8
205.05865	0.4
211.07570	0.5
219.01744	1.9
219.06725	0.6
219.11314	1.5
220.07495	2.0
222.08788	0.8
223.01276	2.9
223.04976	1.1
224.02126	0.4
237.02725	1.7
237.09883	1.4
237.12149	0.4
241.02122	0.5
247.01370	0.8
247.04955	0.5
247.08139	0.5
247.24190	0.7
248.06712	3.8
248.12898	0.6
256.07123	0.4
260.04538	0.6
265.06125	1.8
265.09286	4.4
265.11908	2.0
265.15533	4.0
265.19113	5.3
265.22302	0.8
265.25314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1068
Annotation	Peucedanol
Peak:m/z	Relative Intensity
50.31647	9.9
54.18311	8.1
57.06252	7.6
57.44713	8.1
63.67136	8.2
67.05504	43.7
71.53434	10.6
79.05497	10.3
81.07050	37.2
91.05456	18.7
95.08599	24.7
105.07005	7.5
107.08569	9.7
109.06470	7.8
109.10138	20.1
121.10189	10.2
121.23967	8.1
122.07136	25.3
144.08041	14.8
148.16135	8.5
175.03914	100.0
179.08524	12.8
209.09500	9.5
229.08562	15.7
247.09680	26.3
248.09941	14.3
250.09854	14.2
255.21439	8.8
265.08514	10.4
265.12186	57.2
265.13876	6.1
265.15994	10.2
265.21674	18.7
266.06912	18.6
275.07492	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	265.1071
Annotation	Peucedanol
Peak:m/z	Relative Intensity
50.25607	8.3
51.58241	8.9
55.05494	10.4
55.19751	9.3
56.96568	11.0
67.05518	9.2
69.63419	69.6
73.11554	8.4
79.05479	10.3
82.26109	9.9
84.87067	8.1
91.05455	12.4
95.08584	9.6
107.08560	14.0
122.07190	22.9
144.08087	21.0
147.04352	16.1
175.03940	100.0
176.04228	10.7
187.03955	9.9
207.54643	9.5
223.14784	11.3
229.08495	14.8
240.05449	14.4
247.09630	37.9
258.35846	9.6
265.15714	9.5
265.19476	13.2
266.07062	59.6
275.07605	15.7
286.58383	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	265.107
Annotation	1'-Acetoxyeugenol acetate
Peak:m/z	Relative Intensity
53.03938	1.0
55.01873	56.9
55.05508	1.5
56.02182	0.7
59.05000	6.9
67.05506	1.7
69.03420	3.6
69.07061	0.8
69.39394	1.6
69.39801	4.2
71.04994	0.6
79.05474	2.2
81.03403	2.9
81.07040	1.9
85.06518	0.9
91.05460	4.4
93.07052	1.4
95.04970	2.3
95.08601	1.8
97.06481	0.9
98.20731	1.2
105.07014	2.3
107.04940	1.7
107.08583	1.4
109.02851	2.9
109.06562	0.9
109.10167	0.8
111.04449	1.8
115.05461	1.7
117.07002	2.3
119.08574	2.1
120.08133	1.0
121.02858	2.0
121.06488	1.8
121.10136	1.3
122.07148	2.7
129.07022	1.2
131.04947	0.9
131.08577	4.1
133.06477	0.9
135.03400	1.2
135.04413	16.1
135.08031	1.7
141.06888	0.8
144.05765	0.9
145.06461	2.3
147.04396	7.2
147.08038	3.2
149.06007	3.8
149.09630	0.7
159.08032	4.9
159.11702	0.7
160.06580	0.6
161.05971	1.3
161.09586	1.2
163.03902	3.8
163.07544	75.1
173.06032	0.9
175.06049	1.3
175.07550	21.8
177.05531	1.1
177.09120	6.5
187.07545	8.8
187.11081	0.9
188.08264	0.8
189.05428	7.6
191.33931	0.7
193.08635	1.5
201.09137	0.8
205.08598	100.0
206.08992	0.7
207.06607	0.9
219.10172	2.3
247.09660	46.3
265.08249	0.6
265.10721	10.1
265.14377	3.1
265.18054	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.4
53.03942	7.1
55.01862	0.6
55.05504	0.5
57.03430	0.7
62.79248	0.3
65.03931	2.9
67.05501	1.0
69.03426	9.6
69.07076	0.5
70.06599	0.5
71.01389	0.5
71.04994	1.9
71.52090	0.4
75.55649	0.4
77.07712	0.4
79.05495	0.9
81.03415	60.5
81.07058	1.3
82.03747	0.5
83.04985	0.5
85.02898	1.2
91.05470	0.9
93.07031	1.0
95.04956	5.0
95.08585	0.9
97.02891	3.8
97.06511	0.4
99.04453	3.1
103.05482	0.5
105.07014	1.0
107.08568	0.8
109.02876	22.0
109.06507	1.0
111.04449	2.8
111.08118	0.4
117.06997	0.7
119.08589	1.0
120.08108	0.4
121.02863	100.0
121.10156	0.9
122.03198	1.3
122.07142	1.6
123.08069	0.4
127.03921	2.7
129.06969	0.6
133.10141	0.6
135.08029	0.8
135.11742	0.4
139.03900	7.2
143.08492	0.8
144.04802	0.4
145.06419	0.4
145.10117	0.6
146.05983	0.8
147.04359	0.4
147.06314	0.5
147.08034	0.5
159.07983	0.6
161.05913	0.6
161.09642	0.4
173.05867	0.9
173.09578	0.4
175.07623	0.6
177.05486	0.4
182.36511	0.4
187.11217	0.4
205.04961	0.5
205.08629	0.8
211.11214	0.4
211.87567	0.4
247.09566	0.5
247.13206	0.6
265.07047	28.0
265.25327	0.5
266.07388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1069
Annotation	Peucedanol
Peak:m/z	Relative Intensity
65.03938	0.4
67.05499	1.1
69.75869	2.0
77.04365	0.3
85.06519	1.1
89.66172	0.4
91.05486	6.3
91.62182	0.4
98.21497	0.6
117.07008	0.4
119.04942	3.0
121.10226	0.4
122.07161	0.4
131.04900	2.1
144.08057	1.0
147.03244	0.8
147.04417	16.4
159.04430	3.9
163.03929	3.0
173.05984	1.3
175.03911	100.0
176.04263	1.4
187.03926	4.9
187.07593	1.3
189.05515	0.9
201.05460	3.0
203.07016	1.2
208.81609	0.4
211.07736	0.6
216.06447	0.4
229.08601	26.8
247.09663	29.3
248.10098	0.5
265.25232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	36.6
60.63869	0.3
69.81219	1.2
69.81620	0.6
71.95264	2.1
72.96060	0.6
74.97607	3.5
81.84937	0.3
84.96027	0.7
85.02910	0.4
86.97591	0.7
92.98643	0.3
98.20733	0.3
98.97585	100.0
102.96948	0.3
110.97569	1.1
112.99124	1.1
114.97066	0.8
115.36700	0.3
116.98621	53.4
119.01920	1.2
121.01678	1.2
124.99086	0.3
126.97028	0.8
128.98592	1.1
131.00179	1.4
131.01917	0.3
132.98088	2.1
134.99663	20.1
138.96999	0.4
139.02733	0.3
140.00201	2.2
140.01152	0.3
143.00133	1.2
144.98068	3.0
146.99673	0.8
147.03255	0.4
149.01233	0.6
150.99135	2.7
153.00749	1.7
153.01910	0.3
156.98073	2.3
158.01257	1.2
158.99667	4.9
159.03256	0.3
161.01218	2.5
162.99152	5.3
163.02618	0.4
167.99689	0.4
169.00276	0.4
174.97717	0.5
174.99123	4.7
177.00752	11.1
179.02287	0.5
181.00204	5.0
186.00729	0.5
186.99155	1.9
192.98499	0.6
193.00215	8.1
195.01706	1.0
198.99303	0.4
199.01218	2.8
200.02318	0.3
205.00204	18.1
207.01817	0.6
211.01210	1.1
217.00226	1.1
219.02000	3.3
223.01265	10.9
228.01855	0.7
235.01170	0.4
241.00037	0.4
241.02289	1.4
243.02083	0.4
246.02863	0.7
247.01227	0.9
250.97800	0.4
251.97870	0.3
260.00751	0.5
261.03067	6.7
265.02512	2.2
265.05606	1.6
270.99387	0.3
273.96396	0.4
283.03268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.17410	0.9
53.03936	2.0
53.22171	1.1
55.05510	15.6
57.03414	3.3
57.07071	12.6
61.37239	0.9
65.03929	2.2
67.05504	86.0
69.06731	1.4
69.07071	17.3
70.02425	4.0
71.04979	1.4
71.08629	7.5
79.05488	20.0
81.03388	1.4
81.07055	100.0
83.04950	1.8
83.08617	13.3
85.06527	4.6
85.10176	2.6
91.05487	17.4
93.07043	23.3
95.04925	1.3
95.08605	83.0
97.06519	8.6
97.10162	7.4
98.44118	1.1
99.08072	4.5
99.69971	1.1
105.03394	1.5
105.07030	10.9
107.08578	13.9
109.06534	2.7
109.10155	45.6
111.08073	4.9
111.11729	2.2
113.09646	3.2
119.08572	13.8
121.10140	17.5
123.08047	3.1
123.11703	19.1
125.09657	1.6
127.11179	2.4
131.08612	1.5
133.10117	14.5
135.11681	9.5
137.09586	1.8
137.13229	8.3
141.12758	2.3
147.11682	9.8
149.13274	10.3
151.11159	1.8
151.14828	10.5
161.13275	10.9
163.14809	8.6
165.16391	12.5
175.14790	7.3
177.16405	2.8
179.17931	3.4
179.82718	1.0
189.16391	3.4
191.03462	1.9
203.17953	2.0
217.19460	1.4
235.11070	2.3
245.22644	30.3
246.23244	1.9
263.10843	2.4
263.14334	3.0
263.23703	71.4
264.23999	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	264.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.3
56.05019	0.5
65.03947	1.0
67.05505	15.3
69.03419	0.9
69.07057	2.6
70.06574	2.4
70.70901	1.7
71.04996	4.4
72.08156	0.8
74.06057	1.6
79.05478	1.1
81.03410	1.4
81.07040	0.9
83.08584	0.6
84.04491	0.6
84.08152	1.0
85.06532	1.2
91.05483	5.7
93.07053	3.3
95.04958	1.6
95.08600	28.9
97.02889	0.7
99.04451	4.6
99.70323	0.5
104.03508	0.6
105.07030	1.6
107.04955	7.5
107.08582	0.7
109.02901	0.8
110.06051	0.7
110.07123	1.1
113.09663	1.0
116.07030	0.6
117.05697	0.7
118.06548	10.5
119.04988	3.0
119.08581	0.8
120.08095	2.6
121.02857	2.7
121.06502	3.4
122.07138	1.0
131.04990	0.7
131.08607	0.7
133.05130	0.6
133.06471	2.9
134.06001	6.3
135.04391	0.9
136.07608	3.1
137.05937	0.8
144.04590	0.6
145.06467	1.4
146.06006	100.0
147.04405	55.8
147.06313	1.9
147.08047	4.3
149.06021	0.7
159.08061	1.0
160.28134	0.6
161.09599	1.6
164.07056	10.0
166.08563	0.6
172.07555	0.9
174.05499	1.0
189.11095	1.1
189.12740	14.2
201.12744	1.2
205.08620	1.7
207.13739	6.4
211.11218	0.8
228.13945	0.9
229.12265	1.7
246.07710	0.8
246.15004	2.1
247.13353	2.3
256.54852	0.6
264.09183	1.2
264.13293	1.3
264.15997	12.9
264.19479	1.2
265.08643	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.63509	1.1
53.03941	1.4
55.05508	14.1
57.03424	1.2
57.07076	9.9
58.23113	1.1
62.82190	1.0
65.03918	2.4
67.05505	84.3
69.07070	16.5
71.04977	1.6
71.08619	6.7
71.52805	2.5
72.49110	1.1
79.05492	20.9
80.54022	1.1
81.07056	100.0
83.04955	1.9
83.08624	14.4
85.06529	4.9
85.10175	3.3
91.05480	16.9
93.07044	21.8
95.04926	2.3
95.08607	86.5
97.05961	1.7
97.06510	8.0
97.10175	6.8
99.05997	1.2
99.08104	7.2
102.53200	1.3
105.07040	9.9
107.08595	14.2
109.10152	44.8
111.08075	4.3
111.11726	1.4
113.09646	3.8
119.08565	9.7
121.10136	15.7
123.08110	2.1
123.11703	19.8
125.09644	1.8
127.11215	1.4
133.10141	16.5
135.11681	10.3
137.09676	2.3
137.13264	7.7
141.12759	2.6
147.11679	9.7
149.13248	8.0
151.11171	1.5
151.14812	8.2
155.14328	1.8
161.13277	10.6
163.14822	8.9
165.16388	9.7
175.14816	8.6
177.16379	3.0
179.17961	4.1
181.15898	1.6
189.16373	4.6
191.03320	1.4
217.19458	1.4
245.22664	31.4
248.12399	1.3
263.14755	6.8
263.23700	75.6
264.24014	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	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03936	1.6
55.01883	1.2
55.05266	1.2
55.05508	15.1
57.03419	2.5
57.07075	12.7
65.03924	1.8
65.84020	0.8
66.22588	0.9
67.05505	82.4
69.07066	16.5
69.51012	5.1
71.05006	1.2
71.08639	7.2
79.05063	1.5
79.05491	18.0
81.07055	100.0
82.47517	0.9
83.04969	2.7
83.08152	1.3
83.08617	19.8
85.06546	4.7
85.10174	4.7
91.05479	18.4
93.06487	1.7
93.07044	24.3
95.04944	1.2
95.08607	88.8
96.08940	1.1
97.06522	9.0
97.10173	8.7
98.20792	1.9
99.08103	6.9
105.07030	11.3
107.08591	14.5
109.06470	1.4
109.10159	51.4
111.08092	5.7
111.11729	1.2
113.09638	3.5
119.08577	12.1
121.10139	17.3
123.08054	3.5
123.11703	24.1
125.09595	1.1
127.11176	2.4
131.08623	1.1
133.10129	16.5
135.11690	10.8
137.09612	2.7
137.13258	8.2
139.11221	1.5
141.12706	1.8
147.11684	10.5
149.13257	10.2
151.11188	1.0
151.14830	10.9
155.14380	1.5
161.13263	14.5
163.14841	8.1
165.12694	1.1
165.16408	12.4
173.13266	0.8
175.14804	10.4
177.16397	1.5
179.17915	4.9
181.15854	2.0
189.16345	5.2
203.18034	1.8
205.19383	1.2
206.50565	0.9
217.19530	1.9
245.22639	43.0
263.23700	84.5
264.23941	1.9
280.62827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.76471	2.7
55.01863	2.6
55.05505	14.2
57.03427	3.0
57.07063	14.2
67.05508	76.8
69.07061	22.4
70.07414	12.4
71.04990	3.1
71.08616	3.1
71.29135	2.4
79.05128	2.5
79.05498	27.7
81.06595	5.4
81.07058	100.0
83.04969	3.8
83.08632	14.0
85.06548	5.6
85.10164	3.9
91.05501	16.6
93.07043	31.3
95.04961	3.6
95.08611	84.3
97.06508	7.0
97.10167	8.2
99.08125	2.8
105.07034	19.3
107.08591	17.5
109.06505	2.9
109.10156	47.6
111.08067	3.6
113.09628	4.3
119.08596	21.8
121.10130	18.0
123.08048	3.1
123.11710	19.5
131.08673	2.5
133.10165	21.7
135.11702	14.7
137.09624	3.2
137.13261	11.2
141.12627	3.2
147.11690	15.6
149.13243	10.9
161.13309	12.4
163.14818	13.0
165.16345	6.5
165.60001	2.7
175.14842	9.9
177.16368	3.0
180.89093	2.4
189.16426	4.8
203.18013	3.3
218.45537	2.8
245.22615	46.5
259.32278	2.4
263.08054	5.6
263.14182	2.9
263.23721	84.7
264.24130	3.0
268.94693	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	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.94527	0.7
53.03941	1.6
55.01854	0.9
55.05505	15.3
57.03416	1.7
57.06841	1.0
57.07074	12.5
65.03923	1.6
67.05504	87.3
68.05798	0.8
69.07067	18.0
70.98121	2.3
71.04972	2.1
71.08630	6.9
71.46383	0.7
75.27156	0.8
79.05487	22.0
81.07054	100.0
82.07355	1.0
83.04967	1.6
83.08165	0.9
83.08624	15.7
85.06556	4.4
85.10178	4.0
87.11314	0.8
91.05468	16.9
93.06487	1.5
93.07045	23.2
95.04954	2.2
95.08604	89.9
96.67854	0.8
97.06530	9.8
97.10162	6.7
99.08092	5.5
105.07027	12.6
107.08586	13.7
109.06485	1.1
109.10155	49.5
110.42558	0.8
111.08090	3.9
111.11698	2.0
113.09630	3.1
114.25604	0.8
119.08585	12.8
121.10136	19.2
123.08041	2.8
123.11697	22.7
125.09646	1.3
127.11179	1.9
131.08548	1.2
133.10126	16.5
135.11708	7.8
137.09590	2.4
137.13254	7.9
141.12706	2.0
147.11681	11.1
149.13269	10.0
151.11163	0.9
151.14824	8.7
155.14317	2.3
161.13239	10.5
163.14818	9.4
165.12766	1.0
165.16397	12.1
175.14803	7.6
177.16389	2.2
179.17941	4.5
181.15880	1.4
189.16394	3.5
203.17949	1.9
217.19597	0.9
219.21152	0.9
245.20070	1.4
245.22653	39.0
263.23694	75.6
264.24030	1.9
273.91220	0.8
274.43817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2007
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
51.02378	1.4
53.03925	4.4
55.01887	9.3
55.05243	1.4
55.05512	28.8
57.03434	3.5
57.07059	4.2
65.03886	2.8
67.05505	50.5
69.03417	2.0
69.07068	19.9
71.04979	4.5
71.52971	2.3
74.55210	1.3
79.05494	62.6
81.03400	4.5
81.06593	3.1
81.07058	58.3
83.04970	6.1
83.08617	16.1
85.06530	4.0
91.05486	30.7
93.07047	87.0
93.82826	1.7
95.04983	11.7
95.08607	45.3
96.43373	1.2
97.02861	1.5
97.06523	4.2
97.10184	3.9
105.03380	7.5
105.04475	1.8
105.07040	24.1
107.04990	1.7
107.07876	2.6
107.08596	50.6
109.06512	5.9
109.10158	24.7
111.04442	2.1
111.08064	7.7
117.06979	3.9
119.08579	19.6
121.06552	1.4
121.10152	60.7
123.08062	4.5
123.11755	7.4
125.09634	1.6
129.07002	2.3
131.08566	5.3
133.10132	19.9
134.29887	1.5
135.11707	30.4
137.09627	3.3
139.07532	5.6
139.11176	3.1
143.08539	3.5
145.10127	5.8
147.04402	6.1
147.05470	1.7
147.08054	2.4
147.11708	14.2
148.46036	1.4
149.09621	3.3
149.13261	10.8
151.07458	2.2
151.11162	4.6
153.09058	4.0
153.12737	2.2
157.10121	2.3
159.11720	3.9
161.13257	5.4
163.11148	2.1
163.14853	2.4
165.09152	1.4
165.12820	2.1
167.10706	2.2
171.11734	4.9
173.13214	2.7
175.03970	1.6
175.11206	3.1
175.14723	1.7
177.12814	2.0
181.12267	2.0
185.13332	3.3
189.09119	16.4
189.12703	4.0
189.16411	2.0
191.03427	4.7
191.14438	1.5
199.14743	1.9
203.07001	1.6
203.17989	2.3
207.13795	4.0
217.19484	4.0
221.10727	1.8
221.15262	1.8
227.17978	4.0
231.10207	2.3
235.20543	1.6
245.19092	6.2
245.22610	2.6
263.08633	3.1
263.11914	2.8
263.20068	100.0
263.23563	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	263.2006
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
50.70844	1.4
53.03938	5.6
55.01860	3.9
55.05515	19.0
57.03450	1.5
57.88678	1.5
65.03956	3.0
67.05178	2.4
67.05505	31.1
69.03416	2.4
69.07079	13.4
71.04993	2.4
71.27057	3.7
79.05497	68.8
81.03419	9.8
81.06608	2.2
81.07061	32.0
83.04967	3.0
83.08601	8.6
85.06542	3.0
91.05479	27.9
93.07043	100.0
95.04950	6.8
95.08603	33.8
97.06493	3.3
97.10175	3.8
100.32053	1.6
105.03384	7.7
105.07033	17.7
107.08597	67.6
109.06525	3.4
109.10159	12.6
117.07025	2.2
119.08607	12.3
120.28432	1.8
121.10151	63.3
123.08055	2.9
123.11668	2.5
129.07027	2.7
131.08589	5.9
133.06506	1.7
133.10143	12.1
135.04410	3.7
135.11691	42.1
137.09612	1.8
143.08553	2.6
145.10136	3.9
147.11696	9.9
149.09636	1.9
149.13255	12.7
157.10138	3.9
159.11693	3.6
161.09691	2.2
161.13268	4.3
163.11180	1.7
163.14755	1.6
171.11636	2.9
175.03932	3.2
185.13185	2.9
185.91179	1.6
189.09145	3.0
189.12619	1.9
191.03433	12.2
193.10023	2.8
195.08055	2.2
198.32716	1.6
199.14827	3.2
203.14287	1.7
207.11896	1.9
207.13811	1.7
217.15948	1.7
219.07996	2.0
220.08807	2.5
221.13246	1.9
227.17975	3.1
235.11172	7.2
245.18982	5.3
248.08417	2.7
248.11818	2.4
263.08228	2.3
263.10938	13.2
263.14374	3.3
263.20074	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2005
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03934	4.5
55.05515	19.8
55.57730	1.7
56.43942	1.5
57.07076	3.2
60.49007	1.9
65.03925	2.8
67.05502	36.8
69.06802	1.5
69.07069	15.8
69.71227	4.0
69.71639	6.8
71.04993	3.9
71.96742	1.6
74.35795	1.7
77.09743	1.5
78.40539	1.5
79.05494	85.7
81.07054	38.1
82.58743	1.7
83.04949	2.1
83.08602	9.5
85.06504	2.0
91.05482	32.3
93.07047	100.0
94.06529	2.1
94.07345	2.2
95.04986	11.4
95.08611	30.2
97.06532	2.1
97.10151	3.0
99.08098	1.8
105.03381	17.1
105.04491	2.6
105.07011	19.4
105.34948	1.7
107.04945	2.7
107.08598	74.9
109.06512	6.4
109.10155	16.6
117.07043	3.9
119.08575	19.5
121.10146	59.9
122.10497	2.2
123.10841	2.0
123.11730	4.5
131.08546	5.3
133.10130	11.5
135.04364	2.4
135.08038	2.8
135.11694	39.6
143.08519	2.4
145.10095	4.7
147.11678	10.1
149.09663	3.4
149.13251	15.1
159.11624	3.7
161.09572	2.2
161.13303	5.5
163.03836	2.0
163.11253	2.2
163.14876	2.8
171.11700	3.2
175.03926	4.0
175.11189	3.0
177.12730	2.6
181.12198	2.2
185.13240	2.2
189.12741	2.6
191.03416	9.8
194.36606	1.7
203.10785	1.6
203.14284	1.8
205.04912	2.2
207.13715	2.6
215.29399	1.9
221.15260	2.5
227.17839	3.6
245.08006	2.3
245.18956	4.8
245.22655	2.9
263.08466	6.6
263.11954	4.4
263.14233	2.2
263.17047	3.3
263.20090	63.9
263.23041	4.3
264.20535	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.4
52.75720	0.2
53.03947	3.4
55.01882	0.6
55.05518	0.5
57.03450	0.4
57.07093	0.2
67.05511	0.8
68.99820	0.3
69.03431	1.2
69.07080	0.6
69.33490	1.8
70.06609	0.3
71.05007	0.2
77.03898	1.0
79.05499	0.9
81.03415	0.7
81.07074	1.4
83.05003	0.3
85.06580	0.2
91.05485	1.6
93.07051	0.8
95.04967	5.8
95.08604	1.3
103.05433	0.3
105.03392	100.0
105.07042	0.8
106.03720	0.8
107.04950	0.7
107.08583	0.6
109.02859	0.2
109.06516	0.4
109.10149	0.7
111.04455	0.6
113.46165	0.2
115.05467	0.5
117.07057	0.4
118.06551	0.6
119.08575	0.9
121.06513	0.3
121.10135	0.5
123.04458	0.2
123.08064	0.3
125.06053	0.3
129.06987	0.5
131.04922	0.6
131.08574	0.5
133.06532	0.2
133.10156	0.4
135.04436	1.4
135.08112	0.4
135.11702	0.3
137.09636	0.3
143.04956	0.3
143.08554	0.5
144.05731	0.3
145.06503	0.5
145.10091	0.3
147.04369	0.4
147.07991	0.3
147.11728	0.2
148.01962	0.2
149.13329	0.2
151.07603	0.4
153.01825	0.7
157.10112	0.3
158.08376	0.3
159.04358	0.5
159.08067	0.2
160.07570	1.8
161.06003	0.4
161.09581	0.2
161.13226	0.2
163.03836	0.3
165.01805	0.7
167.03368	0.2
167.07083	0.3
171.04376	0.3
173.05965	0.3
175.03886	0.9
175.07480	0.4
177.05556	0.3
179.03281	0.3
183.02887	0.6
187.03912	2.3
189.05446	1.3
189.09048	0.3
191.03433	1.1
194.61586	0.2
195.02766	0.3
203.07068	0.4
205.04932	0.5
205.08528	0.3
214.06172	0.3
217.04857	0.3
217.08531	0.4
221.04401	0.4
221.08009	0.2
229.08620	1.2
231.06496	0.5
233.07887	0.3
245.04457	1.3
245.08049	0.6
245.10338	0.2
245.15302	0.4
263.05862	1.0
263.09091	2.1
263.11743	14.3
263.16391	0.9
263.20099	0.5
263.23837	0.6
267.69662	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0913
Annotation	(+)-trans-Khellactone
Peak:m/z	Relative Intensity
50.00928	0.3
51.89203	0.3
53.03933	0.4
55.01860	0.4
56.78270	0.2
59.04990	0.7
65.03951	0.4
67.05499	0.5
68.99789	0.8
69.03389	0.4
69.35561	2.5
70.06608	0.3
71.05004	0.3
73.06524	0.3
76.04572	0.3
79.05497	2.0
81.03396	0.3
81.07061	0.5
81.52287	0.3
84.90164	0.2
87.04997	0.3
89.03918	1.0
91.05481	2.0
93.07023	0.4
95.04987	0.3
95.08601	0.6
98.21456	0.5
103.05430	0.5
105.07017	0.9
106.77721	0.3
107.04951	2.0
109.06511	0.4
115.05486	0.3
117.03372	0.7
117.07062	0.3
119.04924	0.6
119.08542	0.7
120.08119	0.3
128.06186	2.0
129.07013	0.8
131.04924	0.9
131.08548	0.6
133.10121	0.4
135.04399	3.5
135.07979	0.3
143.08524	2.2
145.02840	3.2
145.06494	0.6
147.04384	2.3
147.08051	0.4
150.65829	0.3
153.06975	1.0
155.08551	0.4
157.06543	0.4
159.04344	0.3
159.08041	0.5
161.05960	0.3
161.09615	0.6
163.03894	13.9
164.04631	0.9
171.08052	3.2
174.06674	0.4
175.03938	1.3
175.07449	0.4
176.04675	0.4
181.05092	0.5
181.06442	1.6
184.05243	0.6
185.05928	1.1
187.03941	0.5
189.05403	0.4
189.09076	0.8
191.03384	58.9
192.04114	4.7
193.04890	0.9
199.07535	2.0
201.05542	0.5
201.09097	0.3
203.03467	0.6
203.07025	4.8
205.04927	2.0
209.06023	0.5
212.04655	0.5
215.03377	0.4
215.76692	0.3
216.04063	0.4
217.08488	1.8
227.07054	2.3
229.04933	3.7
230.05760	3.0
235.09715	0.3
243.06520	0.3
245.08092	29.9
246.08305	0.4
250.31842	0.3
263.09137	100.0
264.09442	2.6
274.01627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.091
Annotation	Peucedanone
Peak:m/z	Relative Intensity
57.03414	0.5
64.13542	0.4
65.03928	0.5
70.92011	0.8
71.04977	1.0
79.05469	0.4
81.07075	0.4
91.05484	6.8
91.16823	0.4
103.05491	0.8
105.03373	0.7
115.05418	0.6
116.42206	0.4
119.04946	4.0
119.08502	0.4
128.06197	1.5
129.06963	0.4
131.04933	7.2
143.08537	1.4
147.04408	15.7
155.08527	0.6
159.04408	11.1
163.03880	2.9
171.08054	1.3
173.05989	1.4
175.03905	100.0
176.04395	1.5
177.05525	0.7
184.05232	0.6
187.03888	7.8
189.05463	2.2
193.04912	0.5
199.03906	2.2
199.07523	3.1
201.05507	2.2
203.07025	6.7
205.04956	26.1
206.05341	0.6
215.07025	3.0
216.06622	0.6
217.08585	7.2
223.05750	0.4
227.07022	10.7
233.08066	10.3
245.08081	3.8
263.09152	45.5
264.09467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0914
Annotation	(+)-trans-Khellactone
Peak:m/z	Relative Intensity
53.03923	0.3
55.01859	1.1
56.39279	0.2
62.18824	0.2
65.03922	0.3
67.05502	2.9
68.99769	1.0
70.34378	0.6
77.03883	0.3
79.05492	2.7
81.07057	0.3
85.06519	0.8
88.98000	0.2
89.03905	0.5
91.05448	0.6
93.03407	0.3
93.06953	0.3
95.04971	1.4
97.21144	0.2
100.74057	0.2
103.79716	0.2
105.03358	0.7
105.07018	0.4
107.04952	3.2
117.03359	0.4
118.39433	0.2
121.02843	0.4
135.04410	8.8
136.04861	0.2
145.02817	1.5
145.72005	0.2
147.04398	1.6
163.03906	11.5
175.03940	1.5
179.03398	3.8
188.52034	0.2
189.05569	0.3
191.03392	100.0
192.03745	1.6
203.03381	1.1
203.07024	0.3
217.04851	0.3
217.08711	0.3
230.05890	0.2
241.33476	0.2
245.08064	5.2
263.09158	7.2
263.19995	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80651	1.1
63.78801	1.0
71.51716	1.4
73.46970	1.0
73.97663	1.0
74.56995	1.1
82.99834	1.9
85.02887	1.2
97.02866	1.6
98.97601	1.2
101.00198	1.8
101.00876	37.3
103.94056	0.9
113.00867	7.6
115.02444	1.4
119.01920	65.7
131.01907	28.4
133.03465	1.3
137.02927	5.3
142.03491	2.0
143.01895	44.3
145.03464	4.2
149.02956	2.3
155.01906	12.8
157.03467	3.2
161.02956	100.0
173.02963	25.5
175.04419	1.5
179.04063	2.5
184.04590	4.3
185.02916	4.5
191.03995	11.8
196.07895	1.1
203.04025	15.0
221.05063	4.4
233.05247	1.2
239.06021	1.7
263.06003	16.2
281.07123	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	263.0913
Annotation	(+)-trans-Khellactone
Peak:m/z	Relative Intensity
53.03937	0.5
55.01858	0.3
55.05503	0.4
56.96548	0.3
58.23585	0.2
59.04990	1.0
65.03913	0.3
67.05495	0.7
68.99774	0.4
69.03420	0.6
70.06572	0.7
70.72501	0.2
71.04971	0.3
71.51705	0.4
77.03938	0.3
79.05493	2.8
81.03393	0.3
81.07054	0.8
83.23500	0.3
86.09713	0.3
87.68079	0.3
89.03895	1.1
91.05489	2.7
92.52475	0.2
93.07009	0.6
94.54666	0.3
95.04939	0.5
95.08600	0.7
103.05468	0.3
105.07007	1.0
107.04956	2.4
107.08587	0.5
109.06497	0.6
109.10157	0.5
115.05446	0.4
117.03362	1.0
119.04906	1.0
119.08566	1.0
121.02837	0.4
121.06475	0.3
121.10184	0.3
123.08076	0.2
128.06253	2.2
129.06981	0.5
131.04921	1.3
131.08591	0.5
133.10106	0.4
135.04416	4.1
135.08046	0.5
138.05534	0.3
141.07004	0.4
143.08577	2.6
145.02864	3.2
145.06512	0.5
147.04404	2.8
147.08058	0.6
149.06027	0.4
151.03760	0.4
153.06981	1.0
155.12152	0.3
157.06500	0.6
157.92657	0.3
159.04366	0.6
159.07977	0.4
161.06004	0.6
161.09613	0.6
163.03899	14.0
164.04666	0.9
171.08017	2.9
174.06717	0.3
175.03989	1.3
175.07559	0.4
176.04718	0.4
177.72850	0.3
179.03465	0.4
181.04913	0.7
181.06497	1.6
184.05209	0.7
185.05954	1.1
187.03879	0.5
189.09042	0.7
191.03392	57.1
192.04158	5.6
193.04979	1.1
197.06032	0.3
199.07530	2.6
202.06323	0.3
203.03453	0.4
203.07018	5.9
203.08765	0.2
205.04938	1.7
209.05974	0.6
212.04628	0.5
213.05525	0.4
215.03403	0.8
217.08537	2.2
217.11963	0.3
227.07010	2.8
229.04982	3.7
230.05713	3.0
235.09628	0.5
235.73592	0.3
245.08098	26.6
246.08411	0.8
251.14157	0.3
263.09146	100.0
264.09470	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	263.055
Annotation	SCHEMBL12484718
Peak:m/z	Relative Intensity
53.03957	0.5
53.05096	0.5
55.01871	15.1
55.02150	0.7
55.05503	1.1
56.05032	0.6
57.03440	1.5
67.05506	1.1
69.03423	1.2
70.06590	2.3
71.04989	0.5
71.22915	1.2
72.08150	1.8
72.70130	0.4
75.00187	0.4
79.05489	3.8
81.03419	0.6
81.07079	0.9
83.01342	1.9
84.08142	2.3
85.02905	1.4
86.09702	1.0
91.05466	5.9
93.07044	0.7
95.01353	2.4
95.04972	2.2
95.08575	0.9
97.02895	1.8
101.00871	0.5
103.05491	3.3
105.03391	16.0
105.07029	30.6
107.04952	67.9
109.06527	0.5
115.05441	9.6
117.07030	1.1
119.01911	2.1
119.04925	3.4
119.08605	0.6
120.08095	0.9
121.02859	5.7
121.06526	1.2
123.04407	3.4
127.03901	0.7
129.10188	0.7
130.06584	0.5
131.04912	1.6
132.05717	0.7
133.02852	23.3
133.06490	56.7
134.03624	0.7
135.04427	9.3
136.07571	0.9
143.01875	0.8
143.04910	1.6
144.05666	0.5
145.06477	2.4
145.08405	0.5
147.04407	6.5
157.06444	1.2
159.03032	0.6
160.05222	0.6
161.02286	10.5
161.05974	64.2
162.06317	0.7
163.03966	0.7
165.05455	0.8
171.04362	22.2
171.05586	4.1
172.07578	0.8
173.02969	0.9
173.05997	1.3
175.07460	0.7
175.08733	1.1
179.03404	8.3
189.05466	100.0
190.05786	0.7
199.03902	30.9
200.04465	0.7
200.07080	1.9
203.07271	0.7
217.04958	41.0
217.08386	1.1
235.05995	2.2
245.04414	0.6
263.05505	1.6
263.09866	0.8
263.13907	0.6
263.23804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87179	0.6
53.03928	0.7
56.96565	14.1
57.03408	1.0
61.02906	1.6
63.34848	0.6
63.88229	0.6
69.03419	3.3
69.90049	1.6
69.90469	1.9
70.06557	1.3
70.98091	0.8
71.04935	0.6
71.95236	1.2
72.08154	0.8
73.02885	2.2
73.40200	0.7
74.97605	1.1
79.25962	0.6
81.03378	1.5
82.99815	1.8
84.04475	1.8
84.08117	2.0
84.95999	1.8
85.02901	4.1
94.99812	0.9
95.04936	2.1
97.02882	3.4
98.20820	0.9
98.97577	20.0
101.00889	13.5
105.00348	1.2
105.03403	3.8
110.97531	2.3
112.99124	1.2
113.00872	3.8
113.02354	1.0
116.98623	12.4
119.01917	41.5
121.10111	0.7
127.03881	1.3
128.98589	2.8
131.00259	0.9
131.01901	20.3
131.03397	1.0
133.01604	0.8
133.03465	2.3
133.06517	0.7
134.99655	4.9
137.02925	6.0
142.03448	1.0
143.00136	1.1
143.01889	32.1
144.10165	1.7
144.98087	0.7
145.03453	2.7
146.99602	2.0
147.04385	1.3
149.01192	1.8
149.02957	3.0
150.99062	1.0
153.00745	1.0
155.01871	10.3
157.03455	2.5
158.99637	4.1
160.04524	0.7
161.02954	100.0
162.03171	1.3
162.99152	1.1
165.00725	0.9
169.03296	0.8
173.01425	1.7
173.02953	31.0
174.99229	1.1
175.04489	2.4
177.00703	7.0
179.03993	3.4
184.04564	5.2
185.02917	6.3
188.97058	2.0
189.00711	1.8
190.98563	1.6
191.02266	1.9
191.03987	21.2
193.00230	1.0
196.04640	1.2
197.02907	1.6
202.98582	0.8
203.02319	1.1
203.03995	19.0
207.01816	1.3
208.99661	1.6
209.05153	1.3
214.02448	1.0
214.05672	1.4
215.04086	1.0
217.00169	0.7
219.01810	1.2
221.03281	2.0
221.05104	4.3
233.05070	2.3
237.13220	0.9
239.04373	2.5
244.42998	0.7
245.05113	1.9
245.22552	0.7
248.99223	1.6
255.14479	1.2
257.03403	0.8
263.01566	2.6
263.06198	22.0
264.06177	1.1
281.01923	1.2
281.07568	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	262.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
53.62573	0.2
55.01863	0.4
55.05510	0.5
56.05030	0.5
57.07074	5.5
57.54413	0.3
58.06587	0.3
67.05489	1.1
68.05014	0.4
69.03395	0.5
69.07057	1.0
70.06593	14.8
70.21048	0.3
71.08632	3.6
72.04489	0.3
72.08160	0.9
74.06128	0.4
78.00830	0.3
79.05470	1.1
81.03413	0.6
81.07047	1.1
82.07380	0.3
84.08134	2.0
85.02894	0.4
86.09706	0.8
87.03931	0.4
87.04466	9.9
88.07626	14.4
91.05472	1.2
93.07036	0.8
95.04955	0.6
95.08601	0.8
97.06532	0.7
98.20749	0.9
98.97601	0.3
102.09167	0.8
105.03393	2.5
105.07019	1.2
106.08681	1.8
107.04962	0.6
107.08557	0.7
108.64212	0.3
109.02858	0.3
109.10137	0.5
114.09167	5.5
118.06548	4.1
118.08659	2.1
119.04955	0.4
119.08580	0.4
120.08120	0.3
121.02840	0.5
121.10134	0.6
123.04395	0.6
128.06236	0.3
129.07039	0.4
130.08640	0.7
131.04022	0.3
131.04929	0.5
131.08560	0.6
132.08084	1.1
132.10196	20.7
133.02834	1.1
133.06508	0.4
133.08824	0.5
133.10336	0.3
143.08522	0.5
144.08080	0.4
145.06496	0.7
145.10097	0.4
146.09636	1.3
147.04422	1.1
147.11618	0.4
148.09686	0.5
149.02315	2.0
150.11247	17.9
151.03867	0.5
157.06471	0.4
159.08087	0.3
159.11690	0.6
163.03882	0.4
167.03389	5.0
172.07541	0.9
175.07510	0.4
176.03308	0.3
176.14340	21.2
177.14632	0.5
181.13164	0.3
186.18562	1.5
191.03412	2.2
194.04535	0.4
196.11862	0.3
200.20142	1.4
203.07043	0.5
217.08565	1.6
218.21144	5.9
227.07002	0.6
229.20222	0.3
244.09715	0.5
245.08173	2.3
260.27682	0.3
262.01871	0.6
262.18027	31.8
262.23764	100.0
263.09140	4.4
263.11871	0.4
263.18359	0.9
263.24100	1.8
280.02911	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2166
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
55.05501	1.0
58.02944	0.6
58.06575	1.0
60.04512	1.2
67.05488	1.7
69.07056	1.7
70.06578	1.3
70.07793	2.1
71.04945	0.7
74.41612	0.5
79.05482	1.5
81.07058	4.0
82.06568	0.8
83.08604	1.6
84.08112	1.4
91.05481	2.1
93.07050	3.3
94.06564	1.1
95.08615	4.4
96.08118	1.0
105.07031	4.0
107.08585	4.7
108.08101	2.3
109.06526	0.5
109.10152	2.8
110.06026	1.7
110.09684	1.5
113.37184	0.5
119.08567	4.8
120.08012	0.6
121.10131	3.4
122.09637	2.1
123.11706	1.2
124.07587	0.6
124.11183	0.7
126.09161	0.9
131.08578	0.9
133.10129	2.5
135.11676	1.8
136.11203	3.0
138.12762	0.9
143.08566	1.0
145.10095	2.6
147.11664	5.4
148.11176	1.1
149.13206	0.5
150.12747	1.9
159.11682	1.5
161.13268	1.8
162.12759	0.9
164.14343	1.7
170.51306	0.6
171.11684	1.3
172.67877	0.5
173.13263	0.5
175.14760	0.8
176.14322	0.7
185.13232	1.1
187.14825	1.8
201.16510	0.7
202.15846	0.6
203.17952	9.2
204.17505	0.9
227.17903	1.1
244.20581	2.2
262.21661	100.0
263.21973	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.3
56.05016	1.8
58.02960	6.7
58.06580	4.6
60.04525	2.2
67.05504	10.8
69.07066	6.9
69.83727	1.2
70.06577	5.8
71.53788	1.6
74.06061	2.4
79.05495	8.2
81.07068	14.6
82.06593	1.3
83.08620	2.3
84.08118	1.9
86.05581	2.5
86.06067	29.6
89.67068	1.3
91.05479	7.0
93.07059	15.8
94.06544	1.5
95.08606	16.5
96.08123	3.4
98.06069	1.4
105.07029	12.3
107.08599	14.0
108.08086	2.5
109.10154	10.2
110.06052	2.8
110.09656	1.7
117.07025	3.1
119.08587	13.5
121.10143	13.4
122.09661	2.9
123.11702	3.2
129.07047	2.0
131.08545	4.4
133.10100	8.1
135.11699	5.7
136.11238	2.7
143.08549	3.3
145.10164	8.9
147.11647	8.9
148.11252	1.8
149.13268	3.3
159.11757	3.4
161.13254	5.2
164.14441	1.4
166.86359	1.3
171.11690	4.2
173.13245	2.1
177.16383	2.3
178.30884	1.4
185.13272	2.5
187.14862	2.9
189.12729	2.2
199.14792	1.5
201.16412	3.0
203.17960	8.7
206.73740	1.4
227.17917	3.6
234.22168	3.5
244.20653	3.4
245.18950	3.1
262.21671	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03934	3.1
55.01862	0.8
55.05270	1.2
55.05512	14.5
55.05766	1.7
57.03431	1.4
57.07075	4.8
58.69894	0.8
59.46455	0.8
65.03920	1.4
67.05504	41.3
67.27501	0.7
69.07068	13.2
70.04264	3.6
71.04984	1.6
71.08624	1.9
71.49729	0.8
79.05494	54.9
81.07056	44.2
83.04964	1.4
83.08620	6.1
84.07977	0.7
85.06533	4.3
90.73186	0.8
91.05480	28.0
93.07044	71.6
95.04976	3.7
95.05514	0.8
95.08607	30.4
97.06548	4.0
97.10164	2.8
99.08083	4.2
105.04515	1.2
105.07033	18.2
106.55748	0.9
107.08597	47.7
109.06511	1.9
109.10162	15.9
111.08065	2.6
111.11695	0.9
113.09644	1.3
115.05394	0.8
117.07017	7.1
119.08584	15.6
121.10143	41.1
123.08058	1.3
123.11710	4.7
125.09598	1.1
130.07756	1.4
131.08568	14.5
133.10129	13.9
135.11694	37.9
137.09613	2.3
137.13240	1.9
139.11116	0.8
143.08492	0.8
145.10123	14.2
147.11700	12.3
149.09612	1.6
149.12057	1.4
149.13263	25.6
151.11172	0.8
151.14789	1.3
153.12776	0.8
159.11697	10.0
159.24496	0.8
161.13255	12.6
163.14827	21.2
165.12775	2.2
165.78395	0.7
169.73666	0.8
173.13257	11.8
175.14838	4.3
176.04594	0.9
177.05423	1.0
177.16405	5.4
179.14319	2.1
186.47513	0.8
187.14822	7.4
189.16249	1.0
201.09090	1.5
201.16393	3.3
203.17903	1.2
205.04973	8.7
210.80939	0.9
215.17931	2.3
219.06555	3.1
219.17465	1.2
233.22649	1.0
237.59285	2.2
243.21095	31.5
246.10207	0.8
249.10104	1.0
261.11240	6.1
261.22144	100.0
262.22525	1.6
273.81287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
54.86329	0.7
55.01865	2.9
55.05502	3.3
56.05025	2.2
57.03430	0.9
57.37780	0.8
58.06578	1.3
58.99579	6.4
61.01134	1.1
62.06076	0.9
63.44740	0.7
67.05486	3.0
68.05001	1.0
69.03416	1.0
69.07044	1.7
70.02921	0.8
70.06595	5.7
70.76571	1.7
71.04953	1.0
71.39873	0.9
72.08157	2.8
74.00651	2.4
76.02237	2.0
77.02512	1.0
79.05476	3.1
81.03408	0.8
81.07053	10.0
82.06549	1.0
83.08633	0.9
84.08131	2.8
85.01122	8.5
85.02879	1.1
86.00652	33.9
86.09690	3.5
86.98515	0.8
86.99041	2.1
87.02698	7.2
88.02216	1.3
88.03988	3.3
91.05483	2.1
93.07042	1.6
95.08619	6.6
96.08109	1.2
96.37650	0.8
98.09696	7.0
100.02155	0.9
101.04195	1.1
103.05464	0.8
105.00089	1.6
105.07033	0.9
110.09652	1.6
111.02634	0.9
113.04228	11.5
116.01685	2.6
116.07082	4.8
120.08095	7.9
122.06036	1.3
122.09648	2.8
123.08064	3.5
127.05780	1.1
129.07343	4.9
129.10234	1.4
130.06749	0.9
130.12291	1.7
131.01627	2.1
132.01152	41.7
139.05786	2.2
146.02678	1.0
147.04346	1.5
156.08427	57.0
159.04764	25.8
160.07524	0.9
162.02194	1.9
164.76251	0.8
192.03139	0.9
197.84563	0.7
198.09476	16.5
202.08963	100.0
203.09291	1.5
216.10535	69.7
217.10953	1.4
220.09818	1.1
244.09918	5.5
262.11060	58.3
263.13773	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02987	0.5
53.03942	1.0
55.01867	1.6
55.05503	1.5
56.05031	1.4
56.96566	18.3
57.03435	3.3
58.06591	1.8
59.05002	9.3
59.07372	0.7
60.04514	3.6
60.05640	0.9
60.08165	9.0
61.02912	1.5
67.05526	1.2
68.05042	0.5
69.03424	4.4
69.07071	1.2
70.02919	0.5
70.06593	16.6
70.98116	1.3
71.04991	5.7
71.51855	0.6
71.52241	0.6
72.08147	2.8
72.93795	0.8
73.02917	1.9
74.06079	0.9
74.97607	0.7
76.85419	0.5
79.05448	0.8
81.03431	2.2
81.07042	0.6
83.04986	1.4
84.04518	2.5
84.08144	11.9
84.96036	2.0
85.02905	100.0
85.06570	0.6
85.08437	0.7
86.03246	0.6
86.06078	1.2
86.09706	2.8
86.61498	0.6
87.00821	0.5
87.04457	0.7
87.05618	0.6
87.10052	1.7
88.04008	1.1
88.07634	2.8
88.99195	0.7
91.05433	0.8
93.07063	0.9
95.04977	1.1
95.06097	0.7
95.08657	0.6
96.04527	0.7
97.02895	3.5
98.06065	1.9
98.97588	10.4
99.04479	1.8
100.07610	0.9
101.00874	0.6
101.02394	0.6
102.05533	0.7
102.97067	0.6
103.03944	1.0
104.07088	1.3
105.03413	1.3
105.07024	0.6
107.04975	1.6
109.02907	1.3
110.07177	2.0
110.97581	1.7
112.08766	0.9
112.99104	0.6
113.98665	1.1
114.05557	1.0
115.08731	0.8
116.07099	6.2
116.98630	6.8
118.06557	1.0
119.01900	2.2
119.04964	0.9
120.08112	4.0
121.02867	0.5
122.06046	0.7
125.06019	0.6
127.03943	2.0
128.98625	2.5
129.06558	0.5
129.10265	2.3
130.06532	2.3
130.08635	6.4
131.00189	1.0
131.08174	0.8
131.99722	1.7
132.08136	0.9
132.95871	1.0
133.01718	0.9
134.99661	5.0
136.00003	0.8
136.07626	1.4
140.07092	0.7
140.10701	12.9
142.08720	0.7
143.00197	1.6
143.01945	0.8
144.06856	0.6
144.08031	2.4
144.10190	3.0
144.98065	1.2
145.04956	13.0
145.07637	1.4
146.06050	2.5
146.99646	2.6
147.03253	0.7
147.04445	0.8
147.11273	0.7
148.07616	0.7
149.01254	1.5
150.00769	2.3
150.96873	0.8
153.00777	0.7
154.06474	0.8
155.04649	1.3
157.07687	1.1
158.01257	0.6
158.06041	0.7
158.08185	1.6
158.99643	2.9
159.07820	1.1
159.09157	1.0
160.07587	0.6
160.95369	1.3
161.01274	2.5
161.02936	2.8
161.04782	0.7
162.99202	2.1
170.99722	0.6
171.09200	1.0
172.07622	1.6
173.01265	1.1
173.02840	1.0
173.07115	1.2
174.00818	0.6
174.05540	1.5
174.99187	0.9
175.11986	1.6
176.09189	2.4
177.00742	4.7
179.02435	0.8
181.00217	1.7
182.03349	0.7
183.09229	0.8
184.06172	0.7
185.08186	2.2
186.11252	7.6
187.02809	0.8
188.05278	1.8
188.57005	0.7
189.00693	1.3
189.05659	1.3
190.01082	0.6
191.02318	0.8
191.03960	1.5
193.00208	0.6
197.01270	1.0
197.05702	5.4
199.08749	2.7
200.07158	2.6
200.11916	2.4
201.00603	1.0
201.95738	0.8
202.07216	1.7
203.02341	0.7
203.04102	0.9
204.12431	0.7
205.00346	2.2
207.01851	1.7
208.56671	1.6
213.00812	0.6
213.04410	1.2
215.02275	0.7
216.06801	0.6
216.11287	1.0
217.09784	2.9
219.01796	1.8
219.96704	3.1
220.97572	1.3
223.01244	3.4
226.09738	0.9
227.08287	0.6
230.03371	0.6
237.02740	2.6
238.03331	0.9
239.02335	1.9
239.04478	1.0
241.06596	0.7
244.06198	1.8
244.08447	1.0
244.10928	1.4
245.09256	1.8
251.04440	1.4
257.03488	1.0
262.02979	0.6
262.07391	1.3
262.11917	4.0
262.16608	46.1
263.10559	1.4
263.17166	0.6
272.06619	1.3
280.08020	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.29996	0.4
51.02399	0.7
53.03949	2.9
55.01869	1.1
55.05510	17.8
57.03435	1.4
57.04903	0.5
57.07078	5.6
57.08421	0.4
65.03951	2.4
67.05505	56.3
69.06680	0.8
69.07068	16.8
71.04989	2.7
71.08629	1.9
71.44029	0.9
77.03907	0.9
79.05493	78.5
80.05841	0.5
81.03437	0.8
81.07056	60.9
83.04982	1.7
83.08623	9.3
85.06557	4.1
85.10200	0.6
91.05482	37.9
93.07043	100.0
94.07379	0.6
95.04971	6.4
95.08607	47.8
97.06535	4.8
97.10167	3.3
97.70619	0.5
99.08091	4.2
105.04516	1.8
105.07034	24.6
107.04964	0.7
107.08595	63.8
109.06496	2.9
109.10153	20.9
111.08086	3.5
111.11698	0.5
113.09660	2.1
117.07020	8.6
117.07854	0.6
119.06107	0.6
119.07705	0.5
119.08581	18.7
121.10143	54.1
123.08061	2.4
123.11705	6.4
125.09650	1.3
127.11211	0.8
129.06985	0.6
130.07793	0.9
131.08568	19.9
133.10138	15.9
135.11694	39.9
137.09596	2.4
137.13246	2.0
139.11189	1.0
143.08594	0.5
145.10115	21.0
147.11682	14.9
149.09662	1.1
149.13260	29.5
151.11151	1.3
151.14828	0.9
153.12691	1.2
159.11702	12.4
161.11981	0.9
161.13260	12.3
163.11209	0.6
163.14825	22.0
165.12726	1.1
173.13264	12.6
175.14845	4.7
177.05528	0.8
177.12787	0.7
177.16365	6.6
179.14276	1.8
181.80812	0.5
187.14828	7.6
191.14404	0.7
201.16362	3.8
201.40976	0.6
203.18018	1.0
205.04944	4.1
205.15825	0.6
215.17940	1.8
217.19583	0.6
219.17477	0.8
233.22633	1.4
243.21083	35.6
261.11169	1.4
261.22134	99.9
262.14435	0.8
262.22479	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01289	0.6
53.03945	3.3
55.01862	1.3
55.05510	15.4
57.03433	1.5
57.07070	3.9
65.03926	1.7
65.26785	0.6
67.05504	43.5
69.03406	0.7
69.07063	14.9
71.04971	1.9
71.08620	1.8
77.03925	0.9
79.05492	58.4
79.94147	0.7
81.03415	2.7
81.07055	49.1
83.04983	1.0
83.08612	7.9
85.06539	4.4
91.05482	29.8
92.71577	0.6
93.07043	78.6
95.04980	5.2
95.08605	36.8
97.06538	4.4
97.10159	3.0
98.21552	1.1
98.98504	0.8
99.08093	3.6
105.01295	0.6
105.04527	1.4
105.07030	22.2
107.08591	51.8
108.08897	0.7
109.06542	2.8
109.10157	14.8
111.08070	2.8
111.11700	0.9
113.09647	1.1
115.05457	1.1
117.07011	7.5
119.06003	0.7
119.08575	16.3
119.09376	1.3
121.06499	1.1
121.10142	42.5
123.08060	2.4
123.11717	4.4
125.09626	1.6
128.06216	0.8
129.07028	0.9
130.07764	0.7
131.08568	16.8
133.10136	13.9
135.08109	0.9
135.11688	33.4
137.09596	2.1
137.13327	0.9
145.10121	15.7
147.08020	1.3
147.11697	10.2
149.09633	1.3
149.13252	26.4
151.11198	1.3
153.12730	0.9
157.10146	0.8
158.10968	0.6
159.11687	11.0
161.13245	12.4
163.14816	18.3
163.16109	1.3
165.12740	1.3
173.09743	0.7
173.13263	10.7
175.14815	5.0
177.16388	6.1
179.14319	1.9
187.14818	6.9
191.14236	0.7
193.10150	0.7
193.64723	0.6
201.12749	1.1
201.16437	3.2
205.04976	5.5
205.15889	0.7
215.14362	1.5
215.17992	2.2
217.19487	0.9
219.06485	1.5
219.17421	1.5
233.22690	1.3
243.13782	0.9
243.21066	32.3
261.11145	2.7
261.14835	2.1
261.22131	100.0
262.22418	1.5
278.19601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.5
53.03955	2.9
55.01868	1.3
55.05510	14.5
57.03436	1.2
57.07079	4.5
65.03938	1.7
67.05505	42.9
68.70400	0.5
69.07066	12.6
71.04997	3.5
71.08633	1.3
77.03920	0.8
79.05494	58.0
81.07056	48.4
82.07430	0.6
83.04966	1.3
83.08620	7.6
85.06539	4.4
91.05479	28.0
92.05836	0.6
93.07043	70.0
94.07346	0.8
95.04982	3.6
95.08607	34.6
97.06541	4.2
97.10170	2.5
99.08095	4.7
105.04531	1.2
105.07031	18.9
107.08594	46.9
109.06517	2.0
109.09468	1.0
109.10160	12.9
111.08095	3.2
113.09643	1.7
117.07032	6.2
119.08588	15.7
121.10144	43.2
123.08075	1.8
123.11701	4.5
125.09653	0.9
130.07764	0.7
131.08568	16.1
133.10138	14.6
135.07997	0.6
135.11691	33.1
137.09630	1.7
137.13242	1.6
139.11200	1.0
145.10115	15.4
147.11703	12.2
148.48468	0.5
149.09618	0.9
149.13255	27.9
151.11179	0.8
151.14870	0.6
153.12698	0.9
159.11699	10.4
161.13264	12.0
163.11188	1.0
163.14824	21.0
165.12781	1.9
173.13248	11.8
175.14821	5.4
177.16403	5.0
179.14331	1.5
187.14825	8.1
189.16313	0.6
191.14305	0.7
201.16298	3.5
203.18062	1.2
205.04959	1.0
205.15869	1.0
215.18004	2.0
219.17374	1.5
229.25423	0.6
233.22714	1.2
243.21091	34.3
261.22137	100.0
262.22491	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	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
51.73849	0.5
53.03941	2.0
53.46930	0.4
54.19401	0.4
55.01870	1.3
55.05508	13.3
57.03430	1.5
57.07074	4.1
59.44932	0.4
65.03940	1.2
67.05503	39.2
69.07066	12.2
71.04998	2.4
71.08634	1.4
71.53547	0.7
75.66130	0.4
76.30251	0.4
77.03913	0.8
79.05489	53.6
81.03423	0.6
81.07053	44.6
83.04984	1.3
83.08614	6.0
85.06538	3.4
91.05478	28.6
93.07040	75.3
94.07380	0.5
95.04962	4.1
95.08604	31.9
97.06509	3.3
97.10167	2.9
99.08097	3.1
103.05475	0.8
105.03408	0.5
105.04516	1.1
105.07026	19.3
107.04961	0.8
107.08588	45.0
108.62737	0.4
109.06541	2.3
109.10153	15.7
111.08097	3.3
113.09632	1.0
115.05386	0.4
115.68612	0.4
117.07008	6.3
119.08580	15.3
119.15655	0.4
121.10139	41.1
122.10465	0.6
123.05439	0.5
123.08082	1.8
123.11690	4.6
123.52221	0.4
125.09640	1.3
129.06981	0.7
130.07794	0.7
131.08553	14.5
133.10129	12.4
135.08046	0.8
135.11684	31.4
137.09593	1.4
137.13272	1.6
143.08470	0.5
145.10118	14.4
147.11687	11.7
149.05991	0.4
149.09572	0.8
149.13254	25.0
151.11142	0.8
151.14851	1.0
153.12688	1.0
159.04366	0.5
159.11681	10.1
161.13257	12.4
163.11169	0.7
163.14810	18.1
165.12743	0.7
167.03362	1.0
167.14195	0.4
171.11508	0.5
173.13254	9.8
175.14822	4.5
176.11652	0.4
177.05446	1.1
177.12790	0.5
177.16359	4.8
179.14305	1.4
187.03862	1.6
187.14803	6.7
189.16435	0.9
191.14304	0.7
194.04466	0.9
201.16335	2.6
203.17984	1.1
205.04955	5.5
205.15927	0.9
215.17967	1.6
217.19556	0.7
219.06566	0.9
233.22569	1.5
243.10310	0.6
243.21077	30.4
256.58249	0.5
261.11194	2.9
261.22122	100.0
262.22186	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02369	0.9
53.03946	2.2
53.44550	0.4
55.01868	1.1
55.05510	14.7
57.03436	1.4
57.07078	4.7
57.83675	0.4
65.03942	1.9
67.05504	43.5
68.18787	0.4
69.07067	13.8
69.30193	1.8
69.30623	2.3
71.04988	2.6
71.08629	1.8
73.90697	0.4
77.03921	1.0
79.05492	58.2
81.03439	0.6
81.07054	52.0
83.04967	1.3
83.08617	7.9
84.18163	0.4
85.06548	3.7
85.10188	0.8
91.05479	33.0
93.07041	78.7
94.07372	0.7
95.04965	5.3
95.08605	40.3
97.06527	3.5
97.10157	2.8
99.08091	4.2
103.05499	0.7
105.04537	1.0
105.07034	21.6
107.08592	51.9
109.06499	2.1
109.10154	16.0
111.08102	3.5
113.09646	1.4
115.86186	0.6
117.07011	9.4
119.06033	0.5
119.08579	18.8
121.10143	43.2
123.08058	1.7
123.11707	4.8
125.09660	1.5
131.08568	15.8
133.10126	13.5
135.08026	0.8
135.11688	37.7
137.09604	1.9
137.13271	1.4
139.11169	1.0
145.10124	17.2
147.11682	12.1
149.13258	29.1
151.11250	0.8
151.14755	0.7
153.12817	1.0
154.97113	0.4
159.11681	11.0
161.13255	12.4
163.11166	1.0
163.14822	18.8
165.12743	1.6
171.11696	0.5
173.13249	12.8
175.14825	4.8
177.12836	0.8
177.16393	5.4
179.14285	1.9
187.14838	6.8
189.16406	1.4
191.14217	0.7
193.15787	0.7
201.16359	3.3
205.15915	1.0
215.17993	2.6
217.19571	0.8
219.17467	0.9
233.22675	1.7
243.21085	31.8
244.21413	0.6
261.22134	100.0
262.22513	1.3
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
53.03951	2.2
55.01875	0.9
55.05511	13.9
57.03425	1.4
57.07070	3.5
65.03933	2.1
67.05504	43.3
69.07069	13.5
70.34312	0.4
71.05006	2.3
71.08639	1.0
71.53484	0.5
72.25417	0.4
77.03905	1.0
79.05492	59.4
80.05845	0.4
81.07056	47.5
82.07374	0.5
83.04984	1.2
83.08613	7.9
85.06542	3.8
85.10154	0.4
88.26069	0.4
91.04633	0.5
91.04898	1.0
91.05481	29.5
93.07043	77.2
94.07343	0.4
95.04974	4.8
95.08607	36.8
97.06525	3.1
97.10168	2.9
99.08088	4.3
103.05443	0.8
105.04546	1.0
105.07034	21.5
107.08592	49.5
109.06544	1.8
109.10158	15.3
111.08076	3.3
113.09647	1.3
117.07029	6.4
118.13081	0.4
119.06094	0.4
119.08582	16.4
121.06535	0.5
121.10143	42.9
123.08054	1.4
123.11700	5.3
125.09628	1.3
129.06981	0.5
130.07753	0.7
131.08574	14.4
133.10133	12.7
135.11690	34.6
137.09622	1.4
137.13242	1.6
139.11160	0.5
144.09294	0.6
145.10118	14.7
147.11696	11.2
149.09618	0.6
149.13258	27.1
150.38100	0.4
151.11162	1.5
151.14816	0.9
153.12810	0.5
159.11697	10.0
161.13257	12.9
163.11191	0.7
163.14825	20.9
165.12759	1.6
171.11786	0.6
173.11789	0.7
173.13260	10.3
175.14854	4.2
177.16382	6.0
179.14236	2.2
187.14832	7.0
189.16417	0.9
191.14296	0.9
201.16380	3.4
205.04965	1.3
205.15880	1.1
215.17984	1.8
217.19420	0.9
219.06468	0.7
219.17473	0.9
233.22606	1.5
243.21085	32.1
244.21385	0.9
261.22134	100.0
262.22467	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	261.1121
Annotation	Linderane
Peak:m/z	Relative Intensity
53.03940	0.4
55.01869	0.6
55.05506	1.5
55.75254	0.3
57.07058	0.4
59.04995	1.0
65.03906	0.4
66.03822	0.3
66.35518	0.3
67.05499	1.5
69.03413	0.7
69.07051	1.4
70.72114	0.7
70.72471	0.5
71.04996	0.5
72.08143	0.7
79.05468	1.2
81.07045	2.3
82.06549	0.3
83.04961	0.7
83.08593	0.6
85.02917	0.3
85.06531	0.8
91.05479	1.9
93.07041	1.3
95.04942	0.5
95.08597	2.4
97.06503	0.4
98.96751	0.3
99.04459	0.4
100.11261	0.6
103.05444	0.5
104.10243	0.3
105.03392	0.7
105.07026	2.2
107.04920	0.5
107.08580	1.6
109.02779	0.3
109.06498	0.4
109.10162	1.7
115.05441	0.7
116.06222	0.3
117.07010	1.0
118.04132	0.3
119.04826	0.3
119.08574	2.2
121.06485	0.9
121.10117	1.1
123.08047	0.4
123.11683	0.8
126.28402	0.3
128.06232	0.8
129.06973	0.7
131.04910	1.8
131.08531	0.8
133.06464	0.8
133.10101	1.1
133.80969	0.3
135.04381	0.4
135.08028	0.5
135.11664	0.8
141.07005	0.5
142.07751	0.3
143.04910	0.6
143.08495	0.7
144.05724	0.4
145.06493	1.0
145.10106	1.2
147.04391	0.9
147.08028	1.5
147.11632	0.9
148.05206	0.5
149.05934	0.4
149.13281	0.8
155.08539	1.0
157.06570	0.3
157.10117	0.3
159.04416	0.6
159.08067	1.0
159.11697	0.8
160.05196	0.7
161.05971	4.3
161.96840	0.3
162.03093	1.2
165.05498	0.4
165.06937	0.3
169.06502	0.4
170.07146	0.3
171.08125	0.4
172.08737	0.4
173.05965	0.9
173.09605	0.6
175.03922	1.6
175.07523	1.7
176.04697	3.3
177.05502	2.2
183.08026	0.5
184.16971	0.9
185.06003	0.9
187.03882	5.1
187.07449	0.5
187.11171	0.7
187.14804	0.4
189.05482	2.9
190.06238	0.5
191.06979	0.4
197.05898	0.4
199.07494	0.6
199.17876	0.5
200.04697	0.3
200.08301	0.5
201.05501	0.8
201.09070	1.0
201.12811	0.5
202.16663	0.3
203.07019	35.3
204.07376	0.6
205.04964	8.1
211.07521	1.1
213.05493	1.4
213.08824	0.6
214.06207	1.0
215.06992	1.1
215.10678	0.6
215.17943	0.6
217.08617	0.9
219.06480	2.3
219.09973	0.4
225.16246	0.4
227.06883	0.5
228.07680	0.5
229.08600	5.4
230.09267	0.4
231.06499	2.1
231.10080	0.4
243.10181	0.9
243.13902	0.5
243.21086	0.8
245.08107	0.6
246.08824	2.2
261.11206	100.0
261.18402	2.1
261.22110	1.2
262.11569	1.9
269.60117	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1122
Annotation	Heteropeucenin
Peak:m/z	Relative Intensity
53.03921	0.7
55.01868	9.4
55.05504	3.3
57.07063	1.3
59.04980	2.0
63.87857	0.7
65.03944	0.7
67.05508	3.8
69.03457	0.7
69.07054	2.1
69.27481	7.5
70.59251	0.7
72.80948	0.7
79.05485	5.0
81.07049	3.4
83.08633	0.8
85.06538	2.4
91.05476	7.5
93.07027	6.9
93.43790	0.6
95.04935	1.1
95.08627	2.5
97.06524	0.9
103.05458	1.0
105.04521	0.8
105.07030	9.9
107.01304	1.6
107.04934	1.1
107.08612	4.2
107.09228	0.8
107.95428	0.8
109.10165	1.4
115.05450	0.9
117.07029	3.8
119.04903	1.2
119.08575	10.0
121.06485	1.6
121.10149	4.7
129.06999	2.6
130.07782	2.2
131.08563	3.9
133.10126	11.4
133.68861	0.8
135.04414	8.1
135.08044	0.9
135.11697	1.6
141.55565	0.9
142.07761	1.0
143.08542	1.7
145.06471	2.0
145.10115	8.5
147.04390	4.4
147.08008	3.8
147.11705	2.0
149.05991	2.6
149.13254	3.1
155.08553	4.4
158.07224	1.4
159.04381	1.1
159.07996	1.8
159.11716	1.7
161.05960	3.5
161.13194	1.4
162.03136	0.8
163.03864	6.7
163.07573	2.0
163.14825	2.2
165.05453	1.1
173.05879	0.9
173.09584	6.6
173.13255	1.7
175.07532	23.0
177.05473	9.8
177.09100	1.5
183.08101	1.4
187.14867	1.1
189.05449	2.4
189.09097	8.2
191.06944	1.3
193.04955	1.0
201.09093	36.1
202.09377	1.1
203.06996	1.3
205.04965	16.5
205.08096	0.8
215.10606	2.6
217.08572	2.5
219.06595	3.5
219.10152	97.5
220.10448	1.4
233.11711	6.8
243.10173	4.0
243.21033	2.2
261.11215	100.0
261.22064	14.6
261.24506	1.2
262.11554	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	261.1122
Annotation	Cedrelopsin
Peak:m/z	Relative Intensity
53.03947	0.5
55.01867	0.3
55.05513	0.4
63.07869	0.2
67.05512	0.6
68.99804	0.5
69.03429	0.3
69.07059	0.3
71.52869	0.2
78.04800	0.2
79.05487	0.9
81.07050	0.8
83.01327	1.1
91.05485	2.5
93.07043	2.6
95.04975	0.7
95.08605	0.8
103.05471	1.0
105.03391	0.5
105.06984	1.0
106.04179	0.8
107.04964	0.6
107.08578	1.0
109.06522	0.3
109.10179	0.3
115.05424	0.2
117.06997	0.3
118.04176	0.3
119.04929	0.5
119.08604	0.4
121.02878	0.4
121.05665	0.4
121.06512	5.8
121.10113	0.6
125.43150	0.2
131.04929	3.2
131.08614	0.5
133.06493	0.2
133.10123	0.4
134.03601	1.8
135.08058	0.3
135.11650	0.4
145.02820	0.3
145.06447	0.4
145.10115	0.7
147.04434	0.7
147.11719	0.4
148.88200	0.2
149.02364	0.5
149.05977	3.5
149.13280	0.3
159.04393	0.9
159.08136	0.2
159.11601	0.2
160.05238	0.2
161.09605	0.2
162.03130	13.8
163.03680	0.3
163.07571	0.3
163.14809	0.2
173.09641	0.7
175.07573	0.4
177.05482	3.2
187.14967	0.3
189.09096	1.1
190.02612	17.6
201.09117	0.5
205.04965	100.0
206.05344	1.7
215.14313	0.4
219.06561	1.8
243.13843	2.0
243.21069	0.5
246.07724	1.5
261.11218	12.6
261.14816	1.2
261.18515	0.3
261.22195	1.1
261.24826	0.2
262.11771	0.3
262.14371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1121
Annotation	Cyperine
Peak:m/z	Relative Intensity
55.01865	0.7
55.05511	1.4
57.07066	0.9
63.44032	0.4
67.05495	1.7
69.03433	0.8
69.07059	1.4
70.06886	1.4
71.04984	0.8
71.94999	0.3
73.44044	0.4
73.66938	0.4
79.05498	1.6
81.03397	0.5
81.06657	0.4
81.07046	2.5
82.07387	0.4
83.04952	0.7
83.08624	0.7
88.07581	0.5
91.05463	2.9
91.74290	0.4
93.07061	2.0
94.59643	0.4
95.04995	0.6
95.08595	2.6
99.04469	0.5
99.08081	0.4
103.05488	0.5
104.06247	0.7
105.03365	0.9
105.07042	4.1
107.04948	0.5
107.08607	1.4
109.06443	0.5
109.10155	1.0
111.04488	0.4
115.05476	2.7
117.07030	5.0
119.04951	1.1
119.08556	2.1
121.00503	0.6
121.02918	0.6
121.06493	0.8
121.10188	0.9
121.25920	0.6
123.11732	0.6
128.06233	0.4
129.06966	0.5
130.06514	0.7
130.37029	0.4
131.04900	1.5
131.08572	1.4
133.06499	1.8
133.10139	1.4
135.08055	1.0
135.11652	0.8
141.06979	0.6
145.06479	1.2
145.10117	1.5
147.04416	3.8
147.07941	0.7
147.11668	1.2
149.05957	0.6
149.09618	0.4
149.13254	0.6
152.90994	0.4
159.04439	0.8
159.08005	0.6
159.11676	1.4
160.05214	1.4
161.05981	41.9
162.06555	0.8
163.03970	0.5
167.99693	0.7
173.13319	0.5
175.03934	7.0
176.04675	0.9
177.05499	1.1
185.05991	0.5
187.07469	0.5
187.11343	0.5
187.14801	0.7
189.05472	25.4
189.63347	0.5
190.06245	59.1
191.07010	5.3
193.12131	0.4
199.07687	0.6
201.05444	0.6
201.09030	0.6
201.12747	0.7
201.16461	0.4
203.07014	0.6
205.04939	2.8
211.07607	0.7
215.10602	0.7
215.17920	2.3
219.06598	0.8
219.10179	0.4
229.08575	1.4
243.10120	0.9
243.17453	0.8
243.21062	0.9
261.08890	3.7
261.11212	100.0
261.18494	3.7
261.22125	1.2
261.25403	3.0
262.11676	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	261.1121
Annotation	Heteropeucenin
Peak:m/z	Relative Intensity
55.01871	5.9
55.05493	1.2
70.48323	3.1
85.06534	1.5
89.42094	0.8
91.05492	1.4
117.23647	0.9
117.58857	0.9
124.32978	0.8
133.10059	1.3
134.03596	1.1
135.04405	3.8
137.28627	0.9
145.10178	1.0
147.04474	1.3
147.08064	1.2
149.05983	1.1
159.04420	3.8
161.06020	2.2
162.03130	17.9
175.07559	2.5
176.04703	19.2
177.05499	13.4
177.06941	1.6
187.03842	1.1
189.05486	1.7
189.09105	2.7
190.02562	5.1
191.07066	1.2
204.04210	9.8
205.04962	100.0
206.05350	1.2
218.48616	1.1
219.06526	60.2
219.09814	9.9
231.04272	0.9
231.10097	1.1
233.11723	1.3
261.11221	70.6
262.11462	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	261.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.05515	0.4
65.03958	0.3
65.40005	0.3
67.05508	1.5
68.67912	0.3
68.99806	0.8
69.07067	3.6
70.75937	0.9
73.25109	0.3
79.05495	2.1
81.07047	1.6
91.05475	3.1
93.07052	2.8
95.04954	0.5
95.08578	0.9
103.05492	0.6
105.07050	0.8
107.04939	1.9
107.08594	1.3
109.06502	0.6
109.10188	0.5
119.04917	0.5
119.08588	0.4
121.10139	1.2
125.05979	1.2
129.47870	0.3
133.10124	0.4
134.03619	1.5
135.08034	0.5
135.11668	0.8
137.05988	4.8
145.10103	0.5
147.11697	0.7
149.05989	5.2
149.13216	0.7
150.03123	4.5
163.14833	0.7
165.05441	0.5
173.13164	0.4
177.16437	0.3
178.02620	8.3
181.10686	0.3
193.04971	100.0
194.05304	0.7
203.84009	0.3
205.04921	1.4
243.21162	1.1
261.11218	1.2
261.18524	0.6
261.22141	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	261.1121
Annotation	Cedrelopsin
Peak:m/z	Relative Intensity
55.32783	0.4
55.33147	0.4
55.37246	0.4
55.41851	0.3
62.90341	0.4
71.17778	0.9
72.36969	0.4
78.04694	0.7
78.56696	0.4
91.05460	1.2
101.48961	0.4
103.05464	0.8
105.07006	0.7
107.04947	0.4
107.08566	0.7
112.48847	0.4
115.05485	0.4
121.06513	0.5
131.04948	1.0
134.03641	1.1
145.02769	0.7
147.04417	0.7
147.54236	0.4
149.05945	0.6
149.29877	0.4
154.13977	0.5
159.04388	1.4
161.05989	0.9
162.03125	14.5
163.03944	0.6
165.05550	0.8
166.16074	0.4
175.51355	0.4
176.04695	5.0
177.04074	0.8
177.05486	10.4
189.05450	0.6
190.02612	4.0
191.07114	0.6
204.04195	3.1
205.04970	100.0
206.05341	1.9
219.06531	19.3
261.11230	34.0
262.11563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.112
Annotation	Cedrelopsin
Peak:m/z	Relative Intensity
53.03945	0.2
59.60515	0.1
67.01856	0.2
68.99769	0.5
69.03418	0.3
71.51562	0.2
78.04701	0.2
78.27390	0.1
79.05478	0.4
83.01340	1.3
86.36387	0.2
89.03968	0.2
90.18356	0.2
91.05484	1.8
93.07037	1.5
95.04960	0.4
103.05479	1.0
103.06049	0.2
105.07031	0.5
106.04178	1.0
109.06513	0.2
115.05452	0.2
117.03366	0.2
118.04119	0.3
119.04932	0.5
120.97821	0.1
121.02825	0.2
121.06511	6.3
124.96531	0.2
131.04941	2.0
134.03642	2.1
135.04384	0.2
144.11415	0.2
144.32600	0.2
145.02904	0.2
147.04431	0.7
149.02411	0.2
149.05989	3.9
159.04422	0.7
161.02400	0.3
162.03130	13.9
163.03769	0.2
177.05481	3.0
190.02620	18.5
191.03040	0.3
191.05055	0.1
196.56752	0.2
198.38011	0.1
203.03429	0.1
204.04184	0.2
205.04967	100.0
206.05289	1.6
219.06540	1.8
236.45671	0.2
246.07687	0.7
261.11234	11.6
262.11526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1119
Annotation	Cedrelopsin
Peak:m/z	Relative Intensity
53.03936	0.3
55.05487	0.4
56.66076	0.2
57.07045	0.2
65.03919	0.3
67.05470	0.2
68.99774	0.3
69.07071	0.2
70.77872	0.4
79.05493	1.0
89.03906	0.4
91.05487	2.3
93.03390	0.3
93.07015	0.5
95.04934	0.4
97.80386	0.2
103.05460	1.4
105.07028	1.4
106.04143	0.8
106.70139	0.2
115.05476	0.4
117.03343	0.3
117.93541	0.2
118.04141	0.3
118.52065	0.2
119.04932	0.5
121.02831	0.8
121.06507	3.4
123.04466	0.2
129.03319	0.3
131.04955	0.9
133.06471	0.6
134.03651	1.3
135.04303	0.3
145.02820	1.3
147.04385	1.0
149.04808	0.4
149.05986	6.5
159.04404	0.6
161.06018	0.4
162.03131	3.3
163.03880	0.2
173.02255	0.2
175.03944	0.9
176.04451	0.4
177.05486	18.7
177.97041	0.2
178.05818	0.4
179.06027	0.5
189.04317	0.4
190.02608	0.7
190.06297	0.2
203.03406	0.3
205.04964	100.0
206.05383	1.4
217.08554	0.7
228.07747	0.4
231.09517	0.2
233.10733	0.2
261.11230	25.8
262.11542	0.6
265.98163	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.112
Annotation	Cedrelopsin
Peak:m/z	Relative Intensity
53.03928	0.7
54.32356	0.5
55.01873	21.9
55.05514	4.3
57.07066	1.3
59.04996	2.4
65.03901	0.4
67.05518	0.6
69.07060	0.5
69.61969	0.4
69.98862	0.4
70.92003	1.2
78.04691	0.7
79.05466	1.5
81.03409	0.5
85.06539	5.8
85.28896	0.5
91.05472	3.2
93.07024	1.3
93.80552	0.4
105.07024	2.7
106.07182	0.5
107.04935	1.0
117.07007	0.6
119.04937	2.1
119.08564	2.4
121.06509	1.3
128.06198	0.7
128.56839	0.6
130.07770	0.6
131.04907	0.6
131.08597	0.6
133.06494	0.7
133.10130	2.2
135.04402	12.3
137.05984	0.9
142.07718	0.5
145.06441	0.6
145.10097	1.8
147.04398	5.4
147.08041	1.8
149.05984	4.2
151.07518	0.6
155.08569	1.1
159.04408	0.6
159.07953	0.6
161.05983	3.4
161.09639	1.5
162.03113	13.3
163.03853	2.8
163.07529	1.9
170.99498	0.6
173.09630	1.8
175.07545	13.7
177.05479	17.6
177.09055	2.0
179.07019	0.8
187.07570	2.2
189.05496	5.1
189.09102	9.9
190.02609	4.4
191.07005	2.4
191.10664	1.0
194.01050	0.5
201.09132	4.2
203.07027	1.4
205.04964	100.0
206.05270	1.8
217.08650	2.2
219.06595	1.6
219.10158	39.1
220.10426	0.9
231.10153	2.4
233.11699	5.0
246.11238	0.8
261.11224	45.3
262.11621	0.8
262.14249	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	261.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67294	0.9
53.00304	0.9
53.03943	2.1
55.01860	2.5
55.05507	7.8
56.05030	1.5
56.96546	1.2
57.03430	3.4
58.06586	1.3
61.02916	2.5
67.05489	1.7
69.03087	1.6
69.03429	17.9
69.07051	1.8
70.06594	7.8
70.51950	2.1
71.04993	66.8
72.08155	16.1
73.02905	2.5
73.08485	1.7
79.05495	2.4
81.03416	13.0
81.07047	1.4
83.04992	1.6
83.08614	1.1
84.04488	1.1
84.08138	6.2
85.02909	12.9
86.09704	10.6
91.05463	5.2
93.07012	2.1
94.04742	1.0
95.04958	2.2
95.08631	1.6
97.02893	9.8
98.97569	1.9
99.04454	100.0
100.04716	1.0
103.05459	1.8
105.03403	1.1
105.07024	2.0
107.04984	1.3
107.08598	1.2
109.02889	5.2
110.07150	1.9
115.03951	1.4
115.05420	1.5
116.98615	1.1
117.05462	2.1
117.07015	1.7
119.04945	2.3
119.08549	1.0
120.08101	10.4
121.02827	1.3
123.04391	1.0
123.05531	1.4
123.08029	1.9
125.05952	1.0
127.03912	6.8
129.10246	2.4
130.05038	1.1
130.06529	27.1
131.04930	1.8
131.08559	0.9
131.47594	1.1
132.04456	4.8
133.04915	1.7
133.06517	1.9
133.10101	0.9
133.36690	1.0
135.04395	1.1
136.07594	1.9
141.01839	1.0
141.07010	1.7
145.06494	4.0
145.10092	1.3
146.05980	3.7
147.04408	3.4
149.05913	1.2
154.04755	1.2
157.06570	0.9
157.07642	7.8
158.06007	24.6
159.08112	1.3
160.07562	1.0
169.06441	2.1
169.10107	1.1
169.13409	1.3
170.09604	2.1
171.04402	2.9
171.11766	1.0
172.07535	1.3
173.05954	2.6
173.07219	2.0
175.03786	1.0
175.08768	2.0
175.12100	1.1
183.04337	1.0
187.00826	1.0
187.07494	1.6
188.01323	0.9
189.00648	0.9
189.05333	0.9
191.03397	1.1
191.40768	0.9
197.05893	1.9
199.11264	1.9
201.05347	2.0
205.04938	1.4
215.06987	4.5
215.10461	2.2
215.14043	1.0
216.10269	1.0
216.88135	0.9
219.06589	2.8
232.79875	0.9
233.08047	1.3
237.02844	1.2
243.06401	1.5
243.08554	2.7
243.11314	3.8
261.05157	1.1
261.07480	4.2
261.08835	0.9
261.11694	5.0
261.22110	1.3
271.16748	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	4.1
58.01361	0.2
60.95826	0.7
66.97531	0.2
71.17233	0.3
71.95246	0.6
74.97602	0.3
75.94522	0.2
84.96011	0.3
86.75735	0.2
89.09914	0.2
90.63987	0.2
98.97582	19.2
99.97918	0.3
100.97196	0.5
100.98003	0.5
101.00885	1.4
102.96863	3.5
116.23795	0.2
116.98618	15.0
117.98928	0.4
118.98178	0.5
118.99028	0.6
119.01918	7.7
119.08504	0.2
120.02005	0.2
120.97079	0.3
120.97903	3.0
128.98601	0.5
134.99657	7.6
135.99968	0.4
137.02945	1.9
138.98918	1.2
140.00153	0.6
140.98619	0.3
143.00157	0.4
143.99605	0.2
146.99664	0.2
147.64432	0.2
152.93628	0.3
153.00749	1.2
154.16339	0.2
158.01250	0.5
158.99797	1.2
161.01180	0.4
165.99599	0.4
170.99748	0.4
176.93674	0.3
177.00945	15.3
178.01025	0.8
179.00816	0.3
186.08186	0.2
189.00768	0.4
193.04045	0.3
194.94690	0.4
195.01918	0.4
197.23425	0.2
200.02522	0.2
201.00862	1.6
217.04095	2.4
218.03625	0.5
219.01991	21.9
220.02115	1.3
221.01732	1.2
222.01825	0.3
225.00845	2.0
231.34039	0.2
236.95737	0.5
236.99582	0.2
237.02788	1.2
237.98642	0.3
242.03539	0.6
242.98433	0.6
243.01979	8.4
244.01996	0.5
254.96527	0.2
260.04575	0.3
260.99744	6.8
261.03040	100.0
262.03171	6.1
263.03448	0.5
266.03552	0.3
278.96820	4.0
279.00626	11.6
279.03696	0.4
280.00879	0.3
284.01547	0.3
284.04623	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	261.0758
Annotation	2-Methoxy-6-acetyl-7-methyljuglone
Peak:m/z	Relative Intensity
53.03946	5.8
55.01635	3.6
55.01869	17.2
55.05507	16.6
56.05029	3.2
57.03428	6.8
57.07116	3.4
62.73479	3.3
65.03942	4.5
67.05502	4.6
69.03418	14.0
69.07069	6.9
69.89875	15.9
70.06588	31.3
71.01353	3.9
71.04988	41.6
72.08146	45.5
73.02930	5.1
81.03410	9.9
81.07049	7.8
83.04978	3.6
84.04496	15.5
84.08140	26.8
85.02910	20.6
85.06500	4.1
86.09705	63.8
87.10019	3.7
91.05467	26.8
93.07070	9.5
95.01331	22.3
95.04954	3.6
95.08644	4.1
97.02908	11.6
98.21430	4.8
98.97600	4.5
99.04456	61.1
102.05545	4.3
103.05482	12.6
105.07034	11.5
107.04950	10.5
107.08590	3.7
109.02901	6.3
110.07143	6.8
111.04434	7.3
115.03919	11.5
115.05412	20.3
116.07079	4.6
116.98523	3.6
117.07002	17.8
118.06528	3.3
119.04951	34.9
120.08110	35.4
121.02864	31.5
121.06452	4.4
121.10223	3.7
123.04418	7.0
127.03939	6.0
128.06210	8.5
129.07004	3.6
129.10229	17.3
130.06528	66.0
131.04936	16.7
131.08566	9.9
132.04439	11.0
132.95859	3.6
133.04950	5.0
133.06487	34.8
135.04462	4.1
136.07608	5.1
138.09201	4.0
141.01816	4.0
141.06985	23.2
142.06528	9.5
143.08546	4.2
144.05663	10.0
145.06488	70.3
145.07553	7.0
146.06020	8.4
147.04408	54.5
147.08012	4.0
148.06081	6.2
153.07022	4.9
155.06046	10.2
157.06656	22.8
157.07526	24.0
158.06007	71.9
158.07150	2.6
159.04434	8.2
159.08055	22.9
161.05969	16.7
163.03967	9.1
169.06465	30.4
169.07611	3.4
170.06017	32.6
171.04401	50.6
171.05510	3.2
171.08049	6.8
173.05951	65.2
173.07094	4.1
175.03906	28.2
175.08730	7.7
177.05458	5.9
181.06436	9.7
184.05272	5.6
185.06023	12.9
187.03860	9.3
187.07494	27.7
188.07057	36.1
189.05426	21.1
191.06967	5.5
193.04982	4.8
197.05969	100.0
197.07716	6.7
199.03867	4.5
199.07555	20.1
201.05403	54.0
205.04913	9.5
213.05586	4.2
215.07019	83.9
215.10457	4.9
217.04962	5.4
219.06534	60.0
221.01433	3.7
225.05536	6.8
231.06560	5.7
233.08156	7.4
243.06491	31.8
243.11427	7.6
243.13869	4.0
261.07541	60.7
261.11548	13.1
261.22281	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	260.1969
Annotation	H-Lys-Leu-OH
Peak:m/z	Relative Intensity
55.01881	0.4
55.05514	0.9
56.05026	2.5
56.96560	5.0
57.03442	0.5
57.76175	0.3
58.06596	0.3
60.04522	0.5
60.95842	0.3
66.73720	0.2
67.05501	1.1
69.03426	0.6
69.07065	1.4
70.06597	1.4
70.89151	0.6
71.95267	0.3
72.08154	5.2
73.02913	0.7
78.19262	0.2
78.45988	0.3
81.03408	0.3
83.06074	0.4
84.04507	3.6
84.08141	100.0
84.96019	0.8
85.02911	0.8
85.06538	0.7
85.08485	0.8
86.09702	21.6
89.54427	0.3
92.35198	0.3
97.02316	0.3
97.02911	0.7
98.97581	9.0
99.04462	0.3
99.97931	0.5
101.00921	0.3
101.07129	0.6
101.10779	3.7
101.97201	0.3
102.09174	0.5
102.96867	1.9
105.03369	0.3
110.97574	1.4
112.05090	1.5
112.07612	0.8
112.11134	0.3
112.99171	0.8
113.03503	1.0
116.98620	6.2
119.01888	0.3
120.97903	1.0
127.03864	0.4
128.98605	1.3
129.10234	20.1
130.04990	5.5
130.08630	9.3
131.00188	0.9
131.11809	0.3
132.10225	0.7
133.01768	0.3
133.04906	0.3
134.99625	1.6
138.98920	0.3
140.98604	0.4
143.00174	0.8
143.11804	2.5
144.10208	1.0
146.99666	0.7
147.07649	9.4
147.11278	16.5
148.03862	1.2
157.04391	0.5
158.99655	1.2
161.01233	0.7
161.12903	0.6
164.54199	0.3
165.00681	0.3
169.04472	0.6
170.99669	0.5
171.11285	1.1
173.01317	0.5
175.02737	0.3
177.00740	1.1
178.04942	0.9
178.55190	0.6
189.00735	0.9
191.02234	0.3
194.55573	0.5
195.04694	1.1
197.16479	1.1
201.00723	0.4
203.57356	0.6
205.05418	0.3
206.07028	0.5
219.01770	2.3
224.07939	0.5
225.16075	0.5
226.14366	0.6
235.01387	0.3
237.02783	3.1
242.18564	2.2
243.13409	0.9
243.17018	8.5
259.99814	0.6
260.04404	0.3
260.08310	0.5
260.16281	1.5
260.19693	22.0
260.99728	0.4
261.02832	0.6
261.09497	1.8
261.19818	0.4
277.97906	0.4
278.00980	1.0
278.96793	1.9
279.00528	0.5
279.03934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1606
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
55.05517	1.1
56.05036	7.2
56.96554	2.2
58.06604	1.1
60.04514	1.7
67.05519	1.3
69.03426	1.0
69.04564	1.6
69.07056	5.9
70.06599	8.0
70.64602	2.4
71.04962	1.1
72.08150	5.8
74.02431	1.9
79.05492	0.9
83.05006	1.0
83.06104	56.6
84.04507	76.9
84.08145	34.1
85.02906	2.1
86.09709	100.0
95.04955	0.8
98.97594	2.7
99.04423	1.0
101.07129	7.0
108.86335	0.9
109.02883	7.3
113.07136	1.2
114.05549	2.0
116.07082	2.4
116.98634	1.8
119.83232	0.9
120.08154	1.0
129.06619	6.6
129.10257	10.2
130.04993	1.8
130.06537	4.1
130.08641	4.7
132.10207	27.2
136.07509	0.8
138.05458	1.2
141.06584	2.5
144.06560	1.9
144.10237	3.0
145.07530	0.9
147.07668	1.2
147.11263	5.9
152.10739	1.1
157.07605	4.3
157.13374	12.2
158.06020	1.2
161.09235	1.6
161.12866	2.0
171.11218	1.1
172.04251	1.1
177.00696	1.4
185.12799	3.8
189.12375	2.0
196.14421	10.3
197.12857	34.8
198.11290	1.2
203.08211	2.0
214.05273	1.0
219.01955	0.9
224.09161	5.2
225.12367	3.7
242.10287	2.7
242.15002	67.0
243.07912	0.9
243.13400	33.2
260.10675	3.3
260.16092	2.6
260.19644	7.0
261.07458	0.9
273.74783	0.9
274.27914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.103
Annotation	Caerulomycin I
Peak:m/z	Relative Intensity
53.03957	0.3
55.01896	0.3
56.05032	1.0
56.96560	2.4
57.03439	0.5
59.96346	0.3
60.04511	0.3
61.02905	0.3
61.90199	0.2
65.92384	0.2
67.05484	0.7
69.03423	0.7
69.07080	1.5
69.85308	1.3
70.06213	0.3
70.06593	3.8
71.04984	0.9
71.56471	0.2
72.08161	2.2
73.02927	0.4
74.06078	0.6
81.03415	0.5
81.07064	0.3
83.06108	3.5
83.68636	0.3
84.04508	6.4
84.08144	25.5
84.96036	0.6
85.02896	1.1
85.06528	0.4
86.09706	12.9
87.75657	0.2
88.03996	0.3
91.05496	0.5
95.04922	0.3
96.08120	0.4
97.02895	0.9
98.06074	0.3
98.20845	0.3
98.97595	2.1
99.04453	0.9
100.02189	0.5
100.07634	0.3
101.02559	0.3
101.07142	0.7
101.10770	0.7
102.05542	0.5
109.02884	2.3
110.05965	0.3
110.07167	0.4
110.97586	0.5
112.07607	0.3
114.05569	0.5
115.05437	0.4
115.08706	0.6
116.07105	0.9
116.98655	1.7
118.08651	0.4
124.07594	0.2
127.03921	0.5
128.98618	0.5
129.06590	0.8
129.10251	6.2
129.11183	0.2
130.06526	56.5
130.08586	5.2
131.06860	1.1
132.08080	0.8
132.10197	1.8
134.99635	1.1
136.07610	0.3
140.04961	0.7
140.10677	0.5
142.06523	1.7
143.08176	0.5
144.10175	0.5
145.06522	0.3
146.02692	0.3
146.99649	0.6
147.03105	0.4
147.07658	0.6
147.11282	5.9
152.07048	0.3
156.06816	1.1
156.10248	0.4
157.07608	100.0
158.06032	0.6
158.08025	1.5
158.99623	1.0
159.09181	4.6
161.01335	0.3
161.12881	0.3
169.07631	0.5
170.99692	0.5
171.01129	0.7
175.08678	0.3
177.00746	0.8
185.07106	13.9
186.07294	0.2
189.00729	0.5
196.14485	0.7
197.12889	2.9
201.00700	0.4
201.06664	0.3
203.08141	0.9
210.06520	0.4
214.05208	0.3
214.09750	1.7
219.01785	0.5
224.09195	2.1
225.16014	0.2
234.06531	0.3
237.02824	1.5
242.15025	4.0
242.18764	0.5
243.07762	0.5
243.13434	2.2
243.17003	1.3
255.03845	0.3
260.10306	61.6
260.19656	4.9
261.10699	1.1
267.43597	0.3
279.07605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03938	2.7
53.54386	1.6
55.01863	1.9
55.05510	14.2
57.07077	4.9
67.05510	12.6
69.03431	2.5
69.06731	2.6
69.07068	33.5
69.45458	8.1
69.45885	6.9
71.04984	19.9
77.09563	2.5
79.05497	12.6
81.07048	19.3
83.04977	3.0
83.08610	7.5
85.06538	16.5
91.05476	20.5
93.07030	20.0
94.26723	1.7
95.04966	4.6
95.08601	20.0
96.19685	1.8
97.06522	3.8
97.10145	2.8
105.03386	7.4
105.07028	31.0
107.08608	23.1
109.06517	5.3
109.10167	13.8
111.08096	9.0
117.07013	10.6
119.08576	55.3
121.10147	14.7
123.11707	20.4
125.37879	1.9
128.06163	3.5
129.06984	6.8
131.04910	6.6
131.08572	18.5
133.10133	34.5
135.08047	12.1
135.11688	6.1
137.09581	3.5
141.07028	2.7
142.07759	5.0
143.08551	10.9
144.09309	3.0
145.06462	3.6
145.10120	28.2
147.04419	10.3
147.08063	2.1
147.11699	18.5
149.09555	4.3
149.13222	4.5
156.09421	3.4
157.10129	16.0
158.10857	2.2
159.04411	6.1
159.08092	3.2
159.11707	28.3
160.12469	3.0
161.05977	3.2
161.09633	2.8
161.13251	25.2
170.10876	2.5
171.11688	14.4
173.05856	2.5
173.13303	12.1
175.03914	49.9
175.11156	5.8
175.13306	3.5
175.14824	69.8
176.04428	2.6
176.15442	3.7
177.05443	11.6
177.12715	4.0
177.16379	4.0
179.14203	2.5
185.09586	3.2
185.13304	12.2
187.03899	15.9
187.07518	2.2
189.05487	12.0
189.12741	5.2
189.16368	6.5
199.14809	7.7
201.05441	2.5
201.16386	23.0
203.03406	3.8
203.14244	9.2
213.09213	2.8
213.16376	3.1
215.07071	17.6
215.17941	3.6
217.04942	3.4
217.08536	3.1
217.19482	3.8
223.14862	1.8
229.08575	3.4
231.10207	8.5
238.30667	1.7
241.08652	6.4
241.15852	2.1
241.19516	17.4
259.09598	40.4
259.17038	7.5
259.20581	100.0
260.09821	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	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.74339	1.5
53.03942	2.7
54.49251	1.4
55.01864	2.4
55.05517	21.1
57.03432	15.0
57.07078	9.8
57.99922	1.4
59.04971	3.6
65.03934	2.3
67.05505	18.9
67.89528	1.4
69.03445	1.6
69.07073	13.3
71.04984	1.6
71.08602	2.2
72.04527	2.3
73.81474	1.5
79.05500	24.1
81.07054	23.5
83.04979	2.5
83.08634	8.3
85.06563	7.7
91.05481	57.2
93.07044	21.6
93.40436	1.7
95.04961	4.9
95.08608	21.0
97.06526	3.0
97.10152	2.8
98.05116	2.1
99.08068	3.7
103.05459	6.7
105.06319	3.7
105.07029	65.9
107.08593	13.1
109.06477	2.7
109.10117	3.9
111.08078	2.3
115.05440	5.2
117.07021	58.1
117.07862	2.9
119.04934	7.0
119.08582	45.8
121.06490	4.7
121.10125	12.5
123.08080	1.7
123.11718	1.6
125.09615	3.4
128.06207	6.1
129.07016	24.5
130.07819	4.0
131.04919	8.9
131.07596	3.5
131.08565	69.5
133.06587	3.7
133.10130	54.0
135.11662	6.8
137.09564	1.9
141.06944	2.9
142.07768	5.9
143.08560	26.9
145.06509	2.7
145.10121	47.9
147.04398	20.6
147.11690	36.4
149.09552	2.8
149.13223	3.4
156.09276	2.3
157.10139	20.1
159.04414	11.4
159.08099	2.5
159.11696	80.3
161.06015	4.6
161.09618	2.0
161.13274	14.1
163.03976	1.9
163.11168	6.2
171.11697	34.1
173.13274	49.3
175.03909	76.1
175.14870	7.8
176.04303	2.3
177.05438	12.2
177.12755	2.3
183.11549	2.2
185.13275	32.5
187.03905	24.6
187.07507	2.2
187.14816	50.3
189.05452	19.6
199.03908	2.0
199.14815	21.4
201.05475	3.8
201.16356	3.4
203.03369	6.3
203.10629	3.3
203.17921	3.2
207.33444	2.0
213.09059	2.8
213.16406	6.7
215.07027	24.4
215.17752	2.3
217.04982	4.7
217.08475	3.2
229.08557	5.3
231.10167	10.4
231.21030	1.6
231.25156	8.3
241.08618	12.1
241.19484	39.6
241.23360	2.3
259.09659	69.3
259.17255	3.9
259.20572	100.0
259.24457	13.9
260.09909	2.5
260.20377	2.5
263.34500	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	259.0965
Annotation	Braylin
Peak:m/z	Relative Intensity
51.02383	0.6
53.03923	1.0
55.01854	0.6
55.05511	14.0
57.07069	4.9
59.05004	3.9
65.03936	1.3
67.05495	0.9
68.99788	0.7
69.03416	0.5
69.07055	1.3
69.67268	1.8
77.03923	0.4
79.05486	0.9
81.38927	0.3
83.01340	2.4
83.04970	1.2
85.06541	5.6
85.72913	0.3
88.00246	0.3
91.05482	15.4
92.05785	0.3
95.04945	0.9
97.06515	0.4
98.21484	0.6
103.05466	3.6
105.03350	0.3
105.07040	2.7
107.04954	0.9
111.69819	0.4
115.05451	1.6
117.07005	1.3
119.04942	6.0
119.08551	0.6
121.06514	2.6
128.06181	1.6
129.06996	1.5
131.04927	12.9
131.08554	1.3
133.02797	0.6
133.06500	3.3
133.10098	0.3
141.07016	1.1
142.07793	1.8
143.04927	0.4
143.08559	0.5
144.05736	0.5
145.06479	2.0
147.04410	23.0
148.05237	2.6
149.06030	0.4
149.13181	0.3
157.06458	0.7
157.10101	1.7
158.07263	0.4
159.04410	9.1
159.05638	0.6
159.08038	1.8
160.05130	0.3
161.02327	0.8
161.05984	5.0
161.09569	0.4
163.03891	1.4
167.08589	0.7
169.06491	0.4
170.07268	0.7
171.08058	0.4
173.06064	1.9
173.09598	0.4
174.06677	0.3
175.03906	100.0
176.04544	2.9
177.05470	24.0
178.05710	0.5
181.06496	0.4
182.07297	0.5
185.05995	0.7
185.09608	1.9
187.03911	26.7
187.07463	3.1
188.04305	0.9
188.08270	0.6
189.01881	1.8
189.05467	23.1
190.05893	0.4
191.03368	0.9
195.08084	1.2
198.06740	1.7
199.03894	2.1
199.07619	0.7
201.05464	5.3
201.09157	1.4
201.20903	0.4
203.03403	6.6
203.07057	2.3
203.08682	0.4
203.08980	0.4
203.10614	2.3
206.55090	0.4
213.05470	0.7
213.09109	2.9
215.07022	17.5
217.04988	2.8
217.08589	3.8
223.07568	0.5
226.06300	1.2
229.08597	3.1
229.98138	0.3
231.10155	13.3
232.56578	0.5
241.08585	8.3
244.07414	0.6
258.27878	0.4
258.58252	0.6
259.09671	57.3
259.28125	0.6
260.09985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0964
Annotation	5-Methoxyseselin
Peak:m/z	Relative Intensity
53.03942	0.8
55.01864	0.7
55.05511	10.7
57.07077	3.7
59.04747	0.3
59.05001	3.3
65.03941	1.1
65.82538	0.3
67.05488	1.1
68.99785	0.7
69.07056	1.1
70.91882	0.8
71.04935	0.5
72.37877	0.4
78.48830	0.3
79.05481	1.2
83.01344	2.0
83.04971	0.8
85.06550	4.1
91.05480	14.0
93.07010	0.5
95.04941	0.6
95.08589	0.5
97.06499	1.1
103.05485	2.1
103.87208	0.3
105.07037	3.0
107.04944	0.6
115.05450	1.6
117.07011	1.4
119.04943	7.2
119.08582	0.6
121.06532	1.6
121.07239	0.4
121.67807	0.3
128.06230	1.8
129.06993	1.5
131.04927	10.9
131.08540	1.9
133.02864	0.6
133.06493	2.6
137.09398	0.3
141.07004	1.2
142.07797	2.5
143.04948	0.5
143.08551	0.9
144.05644	0.8
145.06508	2.7
147.04408	21.2
147.07983	0.4
148.05156	1.4
151.03871	0.4
152.06247	0.4
153.07027	0.5
157.06509	0.4
157.10118	1.1
159.04419	11.0
159.07948	1.6
161.02338	0.6
161.05969	4.5
163.03909	2.2
167.08591	0.6
169.06476	0.8
170.07265	0.8
171.04370	0.6
173.02373	0.4
173.05992	2.3
173.09616	0.5
175.03906	100.0
175.11162	1.0
176.04532	2.2
177.05476	20.2
181.06451	0.5
181.42494	0.3
185.05952	0.9
185.09625	2.5
187.03908	27.8
187.07472	4.1
188.04326	0.4
189.01842	1.0
189.05470	18.7
191.03391	0.9
195.08118	0.6
197.05930	0.4
198.06689	1.5
198.08362	0.4
199.03886	3.1
199.07547	0.9
201.05469	5.0
201.09071	1.2
203.03391	10.2
203.06998	2.2
203.10684	1.4
213.05464	1.0
213.09058	2.7
215.07028	24.5
216.07164	0.5
217.04980	4.6
217.08536	4.2
225.05473	0.4
226.06233	1.1
227.12444	0.4
229.08595	6.6
231.10156	13.2
241.08620	7.7
244.05565	1.0
259.09665	77.9
260.09961	1.2
278.80515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
58.82978	0.2
64.23632	0.2
65.03938	1.8
69.57763	0.9
69.58167	0.5
70.06596	0.8
76.29307	0.2
77.03939	0.3
81.03432	0.3
86.09715	0.4
91.05480	6.4
93.03407	0.5
93.07041	11.7
95.04952	2.0
98.21519	0.3
98.97575	0.3
103.05468	8.3
104.10719	0.5
105.04524	0.5
105.78021	0.2
106.55486	0.2
110.30294	0.2
111.04463	0.3
120.08037	0.3
121.02871	70.7
121.06500	100.0
122.03189	0.4
122.06015	0.2
122.06847	0.8
129.07066	0.3
138.05540	2.1
138.09135	27.6
164.07033	0.2
258.11261	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49298	0.3
51.11149	0.3
54.03473	0.3
54.98650	0.6
56.96567	13.7
63.74013	0.3
71.51311	0.4
71.95274	2.9
79.89040	0.3
83.92256	0.4
96.70736	0.3
98.97586	100.0
99.97923	0.4
100.97166	0.6
116.98621	78.9
117.98938	0.4
118.98228	0.9
118.99029	0.6
119.01943	0.5
134.99660	40.0
136.99226	0.4
140.00191	3.2
140.89992	0.3
147.04927	0.3
153.00714	5.3
158.01245	2.8
174.97710	0.4
176.02441	0.4
177.00937	1.0
178.01060	1.2
192.98811	0.5
196.11905	0.3
216.98701	0.8
219.02002	5.7
220.02141	1.6
234.99747	2.2
240.98602	4.2
258.99750	46.9
259.16818	0.3
259.20596	0.5
259.99976	1.6
277.00803	74.5
278.00998	2.4
278.57465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20613	0.3
54.20424	0.3
55.01847	0.3
55.05483	0.4
56.05027	0.6
56.96304	0.4
56.96566	5.9
57.03437	2.0
58.06597	0.7
58.72270	0.3
60.08163	9.4
61.02913	1.3
69.03437	2.5
69.67425	1.4
69.67836	0.6
70.06583	2.8
70.98106	1.4
71.04974	0.4
71.07379	2.9
72.08153	1.1
73.02914	2.4
77.97909	0.3
81.03411	1.0
81.04510	0.6
83.06104	0.9
84.04482	0.8
84.08145	1.8
84.96040	0.5
85.02910	4.7
85.06538	0.7
86.09704	18.3
87.04446	0.5
88.99145	0.6
93.04543	0.4
95.06084	1.5
97.02903	2.9
98.21419	0.5
98.40423	0.3
98.97584	7.7
98.98466	3.8
99.04446	1.0
101.00834	0.4
104.10742	100.0
105.03378	1.9
105.11050	0.6
109.02899	0.5
110.01233	0.6
110.07172	4.1
110.97586	1.0
111.05511	0.4
112.99148	1.0
116.07091	1.4
116.98611	3.4
119.01866	2.0
125.00002	23.4
126.06654	1.2
127.03908	1.5
127.05029	0.9
128.02296	0.4
128.98618	1.5
129.10265	0.7
131.00214	1.6
131.01862	0.8
133.01753	0.5
134.99666	1.3
140.02286	1.4
143.00143	0.7
145.01743	0.6
145.03482	0.5
146.01288	0.7
146.02348	0.5
146.99641	0.8
149.01277	0.8
149.02878	1.3
154.01970	0.4
155.02866	0.8
156.07803	0.4
158.99619	2.0
161.01213	0.7
161.02899	0.6
162.99091	0.4
163.02675	0.5
164.02309	0.5
168.01935	0.3
168.03665	1.7
169.04347	0.9
170.05009	0.5
170.99643	0.8
173.01237	0.6
177.00737	1.1
177.04166	5.0
178.04915	3.4
182.03374	0.9
184.04955	0.8
184.07335	10.3
186.04665	0.7
188.54921	0.8
189.00783	0.7
189.55856	0.6
190.98604	0.8
191.02344	0.7
191.03941	1.4
193.00247	1.2
193.03712	0.4
193.05489	0.6
199.03716	0.5
200.04370	0.8
201.00745	0.3
205.00273	0.4
207.01674	0.5
208.99677	0.8
212.13976	4.3
213.12492	0.4
217.00179	0.5
219.01808	1.1
232.99754	0.8
235.01170	0.6
235.06683	0.4
237.02837	0.6
240.05702	0.7
240.08774	0.4
249.06340	0.8
251.38486	0.4
258.06772	1.0
258.11066	19.4
258.14499	7.1
258.18341	0.5
259.07666	0.5
263.00623	0.4
276.07703	1.2
278.01797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0762
Annotation	Cyathocaline
Peak:m/z	Relative Intensity
70.18977	0.4
71.14960	0.2
77.75175	0.1
98.21532	0.1
106.20047	0.2
107.08463	0.1
163.99301	0.1
170.05971	0.3
184.07527	0.2
186.05591	0.3
187.06262	3.4
197.04713	0.2
198.05505	1.0
201.04173	0.3
202.04968	0.4
212.07018	0.4
214.05005	2.1
215.05772	24.8
216.06369	0.6
225.04199	0.5
226.04950	0.6
230.08130	1.0
240.06442	0.3
243.02727	0.2
243.05276	6.4
258.07620	100.0
259.07913	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	258.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05516	0.3
56.05035	0.4
56.96564	7.4
57.03441	2.3
57.07062	0.2
58.06578	1.3
59.04998	0.2
59.07377	0.2
60.08163	9.3
60.95847	0.3
61.02918	1.5
67.05507	0.6
68.05045	0.2
69.03428	4.1
69.07064	0.2
69.53615	0.3
69.54031	0.6
70.06592	5.7
70.98122	1.2
71.04987	0.7
71.07374	2.4
71.55216	0.1
71.95276	0.2
72.08150	0.9
73.02914	2.8
74.97614	0.5
75.04477	0.2
76.31649	0.1
81.03419	1.5
81.04547	0.4
81.07084	0.2
82.05336	0.2
83.01334	0.2
83.04962	0.2
83.06097	0.6
84.04506	1.1
84.08144	2.3
84.96036	0.7
85.02905	6.4
85.06556	0.7
86.03244	0.2
86.09705	19.3
87.04467	0.5
88.99162	1.2
90.01526	0.2
91.03914	0.3
93.04530	0.4
93.07043	0.1
95.00771	0.2
95.04965	0.3
95.06087	1.4
96.01546	0.4
97.02346	0.2
97.02890	4.3
98.01305	0.3
98.09694	0.5
98.97585	9.6
98.98467	3.3
99.04449	1.2
99.97927	0.4
100.99171	0.3
101.00858	0.4
101.02387	0.2
102.96967	0.2
103.02431	0.2
104.01320	0.2
104.10743	100.0
104.52859	0.3
105.03385	1.5
105.11082	0.5
106.02863	0.2
107.00191	0.6
108.01461	0.2
109.02883	1.0
110.01275	1.1
110.03158	0.2
110.07168	4.9
110.97556	1.5
111.02033	0.3
111.05564	0.5
112.07669	0.3
112.08702	0.2
112.99135	1.2
113.03588	0.2
114.02583	0.2
115.03959	0.4
116.01280	0.2
116.07094	3.0
116.07858	0.3
116.98617	5.9
116.99458	0.3
117.02090	0.3
118.02824	0.4
119.00279	0.2
119.01847	2.2
120.08036	0.2
121.01634	0.3
121.02824	0.2
123.02038	0.2
123.04475	0.3
123.88544	0.2
124.02850	0.4
124.03940	0.6
125.00002	23.6
126.02563	0.2
126.04552	0.3
126.05545	0.3
126.06644	0.6
127.00673	0.3
127.03908	1.6
127.04990	0.6
128.02290	1.1
128.98610	2.0
129.10240	1.0
130.08600	0.5
131.00154	1.6
131.01781	0.7
131.53419	0.2
133.01616	0.3
133.03391	0.4
134.99657	3.1
135.03162	0.2
137.02928	0.2
138.02527	0.2
139.03322	0.3
140.00317	0.2
140.02321	1.3
140.52480	0.2
140.98581	0.2
143.00148	0.7
143.01067	0.3
143.01970	0.3
144.10271	0.2
144.98042	0.4
145.01714	0.7
145.03468	0.5
145.04932	0.7
146.01198	0.5
146.02322	0.4
146.03520	0.2
146.52449	0.2
146.53786	0.2
146.99631	1.4
147.03072	0.6
147.04367	0.5
149.01218	1.1
149.02899	1.2
151.53065	0.2
152.02267	0.2
153.00711	0.4
153.03084	0.3
154.01881	0.4
154.08626	0.2
154.53484	0.1
154.93304	0.2
155.01808	0.3
155.02863	0.6
156.03595	0.4
156.07695	0.3
157.01602	0.2
157.03442	0.2
158.01268	0.2
158.97498	0.1
158.99654	1.9
159.03047	0.3
161.01215	1.0
161.02847	0.7
161.05591	0.2
161.18916	0.1
162.01767	0.2
162.03624	0.4
162.99149	0.3
163.02699	1.1
163.04213	0.2
164.02240	0.8
165.00717	0.5
167.54417	1.1
168.01962	0.3
168.03606	1.9
168.04857	0.2
169.04350	2.1
170.03307	0.2
170.06461	0.2
170.08023	0.3
170.99646	0.9
171.04175	0.3
171.99936	0.2
172.02863	0.2
173.01207	1.2
173.02951	0.7
174.00729	0.3
174.03044	0.2
174.04430	0.2
174.99167	0.5
175.02744	0.5
175.04340	0.3
176.54939	0.7
177.00829	1.9
177.02390	0.6
177.04111	5.2
177.54326	0.7
178.04929	5.0
179.02220	0.3
179.54413	0.3
181.02515	0.2
182.03329	0.6
182.53435	0.4
184.03047	0.3
184.04942	1.6
184.07339	10.3
184.12047	0.4
184.55035	0.2
185.01344	0.2
186.04649	1.5
187.10733	0.3
188.05753	0.5
188.54980	0.6
188.97136	0.2
189.00714	1.2
189.04366	0.2
189.55722	0.6
190.03806	0.6
190.98604	0.4
191.02257	1.3
191.03917	1.4
193.00217	2.1
193.03835	0.4
193.05446	0.9
194.06868	0.2
197.01157	0.2
197.12897	0.3
197.55508	0.2
198.06041	0.5
199.03580	0.2
200.02702	0.2
200.04436	0.8
200.06073	0.3
200.54622	0.2
201.00732	0.5
202.09198	0.2
203.02245	0.4
204.05531	0.2
204.56226	0.3
207.01736	0.6
207.05122	0.3
208.04884	0.6
208.99667	0.6
209.03311	0.4
209.05045	0.2
211.01213	0.5
211.04611	0.2
212.02367	0.3
212.13971	4.8
213.05441	0.2
213.12321	0.4
214.05328	0.8
214.15469	0.2
214.98657	0.2
216.07178	0.6
217.00189	0.4
218.06946	0.5
219.01735	1.2
220.02225	0.2
221.03156	0.3
221.05064	0.3
223.01064	0.3
226.09290	0.4
228.05461	0.2
230.03394	0.5
231.01660	0.3
232.04990	0.4
232.99655	0.7
233.03307	0.4
235.01120	1.0
235.04660	0.2
237.02802	0.9
240.05594	0.5
240.08247	0.3
240.13655	0.2
243.51488	0.2
244.10352	0.7
248.04410	0.2
248.96022	0.2
249.02809	0.2
249.06241	1.2
250.07156	0.7
251.00760	0.3
251.04456	0.4
258.04230	0.8
258.06665	1.4
258.10992	17.7
258.14441	8.2
259.07544	0.7
276.04279	0.3
276.07516	1.5
279.03790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0761
Annotation	Cyathocaline
Peak:m/z	Relative Intensity
55.32946	0.1
57.25710	0.1
71.52768	0.1
79.05419	0.1
81.06984	0.1
87.73689	0.1
91.05430	0.1
93.07005	0.1
94.55445	0.1
104.10688	0.2
105.03376	0.1
105.07030	0.1
107.04907	0.1
127.90298	0.1
129.06981	0.1
133.02818	0.3
135.04361	0.2
145.06342	0.1
151.03902	0.1
159.06743	0.2
160.07538	0.2
161.08255	0.1
169.06349	0.2
170.06950	0.1
173.04637	0.1
174.09128	0.1
175.03873	0.2
176.04204	0.3
178.04961	0.5
183.06918	0.1
184.07521	0.3
186.05481	0.3
187.06261	3.0
187.11096	0.1
188.07065	0.4
190.04906	0.1
197.05638	0.5
199.06248	0.2
201.04181	0.3
202.04929	0.3
202.08560	0.5
212.06990	0.5
213.09334	0.3
214.05038	0.4
215.05753	8.9
216.06514	1.5
225.04863	0.1
226.04941	0.2
228.04257	0.1
228.06490	0.1
230.08133	3.6
231.08296	0.1
240.06512	0.3
240.10245	0.1
241.07220	0.2
243.05254	46.4
244.05608	1.1
258.07611	100.0
259.05396	0.1
259.07941	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	258.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62780	0.2
55.05498	0.2
58.88080	0.1
60.54444	0.2
63.94376	0.2
69.07039	0.6
70.06598	0.2
70.18361	0.3
70.18723	0.7
79.05477	0.2
91.05474	0.2
113.08738	0.2
131.04909	0.3
144.08092	0.3
147.04364	0.2
169.05284	0.2
170.05994	0.6
175.03909	1.0
177.05571	0.2
184.07530	0.3
186.05527	0.6
187.03880	0.2
187.04549	0.2
187.06288	3.6
187.07919	0.2
193.03777	0.2
197.04707	0.3
198.05498	1.5
199.06247	0.2
202.05016	0.3
202.08647	0.6
212.07033	0.3
214.05000	1.3
215.05766	24.7
216.06270	0.6
225.04373	0.2
226.05011	0.5
229.86835	0.2
230.08138	1.7
243.05286	8.3
244.05774	0.2
258.07620	100.0
259.07675	1.7
274.15680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05508	5.6
57.07074	3.1
66.85847	0.5
67.05502	6.7
69.06738	0.5
69.07072	7.1
69.54308	3.9
71.08640	0.5
79.05489	3.8
81.07056	12.6
83.08630	3.8
84.17192	0.5
91.05478	4.4
93.06480	0.8
93.07039	11.4
95.04945	0.8
95.08603	23.6
97.10126	0.9
98.20644	0.6
105.07026	12.1
107.08594	19.7
108.66579	0.5
109.10158	14.9
117.07002	2.4
119.08577	19.8
121.10140	16.4
123.11709	8.0
129.07039	0.6
130.07758	0.8
131.08560	9.5
133.10121	15.9
135.11681	12.5
137.13237	1.8
143.08511	1.5
144.09297	1.3
145.10115	17.8
147.11685	11.0
149.13263	8.2
153.52722	0.5
157.10110	2.1
157.72086	0.5
158.10931	1.8
159.11685	18.1
161.13245	10.3
163.14816	7.0
167.03426	0.6
171.11685	1.9
173.09746	0.5
173.13266	17.3
175.03883	1.4
175.14810	6.3
177.16423	0.9
184.72003	0.5
185.13240	1.6
187.03891	0.7
187.14816	16.5
188.15556	0.7
189.16365	2.0
199.14796	1.6
201.16379	16.0
209.36229	0.6
213.16344	1.6
214.17116	0.6
215.07050	0.6
215.17943	6.3
228.18787	0.8
229.19484	1.7
232.95198	0.5
257.08057	1.7
257.19208	3.5
257.22632	100.0
258.23007	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	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03928	1.2
55.05513	10.4
57.03425	1.4
57.07059	1.2
58.11259	0.7
59.04986	0.8
60.08179	0.8
64.84262	0.7
65.03935	1.2
66.23360	0.7
67.05506	24.7
69.07072	5.6
69.46476	1.5
69.46879	4.9
71.04977	1.4
71.87771	0.7
79.05498	12.3
81.07058	14.3
83.08595	3.3
83.99893	0.7
91.04919	1.0
91.05482	20.1
93.07042	9.3
95.04951	1.6
95.08606	15.9
97.06534	1.4
97.10168	1.2
103.05473	0.8
105.07033	22.3
106.16249	0.9
107.04964	1.1
107.08581	5.4
109.06475	0.8
109.10157	6.2
112.57623	0.8
113.09627	1.2
115.05465	2.0
116.06232	2.2
117.07018	22.5
119.08578	12.9
121.10145	4.5
123.08045	1.2
128.06175	4.3
129.06998	10.9
130.07823	3.8
131.04884	0.8
131.08566	38.9
133.02776	0.8
133.06476	2.0
133.10129	13.3
135.08052	1.1
135.11678	2.1
137.09634	1.5
138.39246	0.7
141.06949	4.3
142.07762	2.6
143.08556	15.8
144.09351	1.4
145.06512	4.9
145.10124	77.4
147.08020	2.8
147.11673	9.4
149.09604	2.0
154.07730	1.2
155.08519	6.8
156.09331	1.1
157.10138	12.0
158.07262	1.1
158.10649	0.9
159.08075	3.0
159.11705	22.8
161.09616	2.9
161.13268	3.0
163.11249	1.2
167.08583	1.1
168.09370	1.2
169.10139	10.1
171.11691	16.2
173.09633	2.5
173.13289	8.9
175.03880	1.5
175.11195	2.9
182.10880	1.3
183.11702	10.0
184.76302	0.7
185.13280	3.3
187.03928	1.1
187.11191	13.8
187.14777	4.5
197.13271	11.3
199.14842	1.8
201.12836	1.4
201.16362	1.1
211.14841	2.4
213.16377	2.0
215.14392	3.4
215.17958	1.6
229.08621	2.1
229.19524	34.4
239.14308	0.8
239.17973	16.3
257.08127	7.2
257.19009	100.0
257.30270	3.4
258.19354	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01876	1.1
55.05505	2.1
58.17228	0.6
67.05514	2.5
68.39400	0.6
69.03429	0.8
69.07077	3.2
71.04988	2.0
71.08643	0.5
71.11628	1.0
76.99928	0.5
77.03937	0.9
79.05486	5.8
81.07055	14.0
83.08636	0.6
85.06575	0.8
91.05479	4.7
92.59920	0.5
93.07042	6.7
95.04961	2.4
95.08602	3.0
103.05474	1.1
105.07022	5.9
107.04939	3.6
107.08591	3.7
109.06496	1.4
109.10143	2.2
111.09680	0.5
111.70568	0.5
115.05470	1.1
117.07014	1.7
119.08589	5.1
121.06493	0.9
121.10140	16.2
123.04478	0.6
123.08032	1.3
123.11748	0.6
128.06241	1.2
129.07021	2.0
131.04941	3.8
131.08574	3.6
133.02870	0.7
133.10143	2.5
135.04416	100.0
135.07974	3.9
135.11702	1.2
136.04778	1.7
137.09616	1.3
141.06949	1.0
142.07796	1.9
143.08546	5.0
144.09381	0.9
145.06459	0.9
145.10136	5.6
147.04419	1.7
147.11687	1.3
147.56587	0.6
149.05984	9.2
149.09566	0.6
155.08524	2.3
156.09415	0.8
157.10141	5.7
158.10863	1.0
159.04405	4.8
159.08080	0.9
159.11693	5.6
161.02344	1.4
161.06049	1.0
161.09654	0.9
161.13239	1.2
163.11252	1.3
165.06964	1.0
169.10114	2.1
171.11699	3.0
173.05974	1.5
173.09657	1.1
173.13261	5.1
175.03914	8.4
175.11192	0.8
175.14760	0.7
176.04245	1.3
177.05481	62.4
178.05775	1.0
182.10938	0.7
183.08047	0.9
183.11694	2.7
185.06018	1.2
185.13213	1.1
187.03923	7.1
187.07520	2.0
187.11171	2.3
187.14848	1.1
189.01854	4.0
189.05443	0.9
197.13255	2.3
199.07524	1.0
199.14844	8.0
201.01793	0.6
201.05537	2.6
201.12718	1.7
203.03481	0.9
210.14102	0.8
211.07664	1.0
213.05449	4.5
213.16374	3.0
214.06404	1.1
215.03555	0.7
215.07109	2.7
215.10678	34.0
215.17960	2.3
216.11098	1.0
219.02820	1.3
229.08589	4.6
229.12111	0.8
239.07019	1.1
239.17932	4.5
257.05664	0.9
257.08105	9.9
257.11734	17.0
257.14627	0.8
257.19003	28.7
257.26566	2.9
258.08276	0.8
258.27899	0.6
258.49106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
51.93655	0.8
53.03945	1.5
55.01862	1.6
55.05498	4.8
57.07048	1.8
65.03933	1.1
67.05505	4.6
69.03371	1.0
69.07057	7.4
70.13013	3.9
71.04986	5.1
77.03920	1.5
79.05492	8.4
81.07051	15.6
83.04967	1.0
83.08615	1.2
85.06523	2.9
88.46337	0.9
89.03914	1.0
91.05058	0.8
91.05488	8.5
93.06553	1.2
93.07044	11.8
95.04964	4.3
95.08601	8.7
97.06474	1.0
103.05452	2.3
105.03398	1.0
105.07037	14.0
107.04937	3.2
107.08588	8.5
109.06503	3.6
109.10156	6.8
111.08048	1.3
115.05460	1.6
117.03373	1.0
117.07018	3.9
119.08577	12.9
119.45478	0.8
121.06468	1.0
121.10143	42.8
123.08058	3.8
123.11729	1.6
128.06218	3.8
129.07014	4.4
130.07715	1.0
131.04947	9.1
131.08594	9.4
133.02831	2.7
133.06496	0.8
133.10120	7.0
135.04414	100.0
135.08029	7.6
135.11688	1.7
136.04750	1.1
137.09622	4.2
141.06975	2.6
142.07805	4.0
143.04889	0.9
143.08556	12.7
144.09363	1.1
145.02832	1.3
145.06479	1.7
145.10126	12.5
147.04390	5.5
147.08034	1.4
147.11621	2.3
149.05978	9.8
149.09621	2.2
153.06979	1.7
155.08556	5.9
156.09346	3.1
157.06435	1.3
157.10121	14.1
158.10912	3.7
159.04425	12.2
159.08080	2.4
159.11694	16.1
161.02402	2.2
161.05992	0.9
161.09639	1.2
161.13313	1.1
163.03856	1.1
163.11157	2.9
167.08498	1.1
168.05627	1.2
169.10088	7.4
170.10857	1.3
171.07991	1.5
171.11662	8.9
172.08766	0.9
173.02338	1.4
173.06018	4.0
173.09555	3.0
173.13251	14.9
174.13954	1.8
175.02534	1.4
175.03917	18.1
175.11179	1.8
175.14874	2.5
176.04265	2.0
177.05492	64.5
177.12717	1.5
181.10143	1.5
183.08080	1.1
183.11670	5.9
184.12450	1.7
185.06000	3.5
185.13303	1.9
187.03896	18.3
187.07552	2.5
187.11134	5.2
187.14787	2.7
188.04210	0.9
189.01814	10.0
189.05510	1.4
189.12711	1.3
196.12485	1.1
197.13231	6.2
199.03806	1.4
199.07559	2.6
199.14827	21.9
201.01852	1.5
201.05443	3.7
201.09038	1.4
201.12724	6.0
203.03421	1.9
207.02927	1.3
209.13210	1.2
210.14037	1.4
211.07562	1.8
213.05431	14.3
213.16357	9.1
214.06171	1.2
214.17096	2.5
215.03625	1.0
215.07370	5.5
215.10670	32.8
215.14215	2.5
215.17964	5.9
216.10890	1.6
219.02885	3.1
224.15651	1.2
227.07002	1.2
229.08604	12.1
229.15843	1.0
239.06978	2.8
239.17947	11.3
241.05011	1.1
244.91899	0.9
257.08078	25.1
257.11700	19.1
257.15457	2.3
257.19009	72.5
257.26672	3.8
258.08087	1.6
258.19269	1.3
258.27740	1.0
278.06027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.8
58.02954	0.2
58.25136	0.2
67.05493	0.4
70.14987	0.9
78.28765	0.2
81.07044	0.4
83.04984	52.2
84.05307	0.3
90.33116	0.2
91.05475	0.5
93.00605	0.2
95.08621	0.3
105.07065	0.3
109.10156	0.3
114.09163	2.1
115.05453	0.7
117.05741	0.3
117.07021	2.7
118.06529	0.5
126.09133	0.3
131.08563	0.3
132.08095	12.8
133.02885	0.3
142.06551	0.4
143.07346	1.5
143.08362	0.3
144.08086	100.0
145.06487	0.4
145.08414	1.6
145.10089	0.4
155.06081	0.4
159.11771	0.3
170.06015	0.5
175.03888	0.3
175.12311	35.2
176.12566	0.3
188.06993	0.3
189.09106	0.3
198.09138	0.4
198.12744	0.5
207.63390	0.2
214.12280	3.2
215.11845	1.1
215.17946	0.2
226.09979	0.3
226.12268	6.6
229.08696	0.3
239.18094	0.3
242.05721	0.2
257.08295	0.4
257.12735	0.3
257.16602	6.2
257.19089	0.4
257.22537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1535
Annotation	3,3'-Dimethylbisphenol A
Peak:m/z	Relative Intensity
50.59645	0.4
50.67242	0.3
53.03933	0.6
53.19633	0.3
55.05514	3.1
60.08145	1.1
63.12743	0.3
64.60625	0.4
65.03933	0.5
67.05508	2.6
69.07069	5.7
70.79002	1.0
77.03930	5.4
79.05483	2.8
81.07059	4.3
83.04987	0.5
83.08614	1.6
85.96880	0.3
91.05482	3.3
92.11445	0.4
93.07006	1.1
95.04935	0.4
95.08608	5.3
103.05470	0.9
105.03417	2.7
105.07027	2.0
107.04980	2.9
107.08598	1.0
109.09471	0.5
109.10162	6.8
115.05465	1.1
117.07004	1.5
119.08588	0.8
121.06473	0.7
121.10141	1.5
123.11710	4.8
131.04910	1.1
131.08559	2.3
133.02856	32.2
133.06485	3.2
135.04417	17.3
135.05275	0.2
135.11662	0.5
141.06973	0.8
144.05670	1.4
145.06465	5.0
145.10146	1.7
147.04411	6.4
147.08051	3.2
149.06015	1.8
151.03905	4.6
153.07019	0.5
155.08548	0.6
157.06520	0.5
157.10272	0.3
158.07248	1.4
159.04430	0.9
159.08066	7.4
161.05978	8.3
161.07283	0.7
161.09592	1.8
163.07492	1.0
171.07994	0.8
173.05975	1.4
173.09631	3.5
175.03922	1.2
175.07529	6.6
183.08061	1.0
184.08846	0.4
185.09647	0.6
187.03983	0.5
187.07530	4.3
187.11102	1.1
189.09129	7.0
197.09578	0.7
199.11171	0.7
201.09103	6.8
201.12743	0.6
207.70804	0.4
213.05418	0.6
215.10616	0.9
215.14302	2.5
215.16034	0.3
229.08620	0.7
230.13388	0.4
239.14296	1.5
257.08273	1.6
257.15363	100.0
257.30347	7.4
258.07745	0.5
258.15692	2.6
275.74103	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1172
Annotation	4'-Methoxy-3,4-methylenedioxybibenzyl
Peak:m/z	Relative Intensity
53.03955	0.8
55.01878	0.7
55.05510	0.5
57.03432	0.8
67.05512	0.7
69.73657	1.7
76.56837	0.3
77.03936	0.5
79.05495	4.1
81.06593	0.6
81.07063	10.7
91.05485	2.6
93.07045	2.3
93.07558	0.3
95.04964	0.9
98.20821	0.4
105.07028	0.7
107.04983	2.2
117.07053	1.7
119.08592	0.7
121.06516	0.5
128.06183	0.4
129.07028	1.5
131.08586	1.5
133.06599	0.3
135.04420	100.0
136.04732	0.9
143.08568	1.0
145.06520	0.9
145.10138	2.1
149.05991	9.5
155.08621	0.4
157.10146	0.9
159.04472	1.3
159.11696	1.4
161.05933	0.5
169.10150	0.7
171.11790	0.5
173.05959	0.5
173.13313	0.8
177.05481	64.0
178.05923	0.6
185.13243	2.7
187.07513	0.5
197.09575	0.6
201.05536	1.0
215.10683	33.6
216.11015	0.3
229.08775	0.4
229.12157	0.5
239.17928	1.1
250.96814	0.3
257.08191	1.3
257.11740	18.9
257.18958	3.8
257.26871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0806
Annotation	2,3-Dimethoxyxanthone
Peak:m/z	Relative Intensity
55.01835	0.3
55.05474	0.6
57.07032	1.0
58.06559	0.3
66.94624	0.3
67.05465	0.9
69.07028	0.6
69.40947	2.4
70.06591	2.1
71.06889	0.5
71.08599	0.5
78.32597	0.3
79.05467	0.4
81.07018	0.5
83.04948	0.6
88.07620	2.5
89.07922	0.4
91.05435	0.8
93.07019	0.6
95.08555	0.8
97.06490	0.5
99.14005	0.3
102.09180	2.2
103.09458	0.8
105.03303	0.5
105.06964	0.6
107.08531	0.4
109.10126	0.6
115.05407	1.3
116.06229	0.5
117.06976	0.8
118.00973	0.3
119.08510	0.8
128.06181	1.1
129.07008	2.1
130.07735	0.6
131.04904	0.5
131.08522	1.2
133.02867	1.3
135.04375	0.9
139.05402	0.9
140.06235	1.5
141.07021	3.0
142.07758	0.6
143.08514	0.9
144.08032	0.8
145.06429	0.8
145.10132	1.6
147.04306	0.4
147.07977	0.3
153.06950	0.3
155.04877	0.4
155.08458	0.8
157.06506	1.3
157.10046	0.6
158.07271	1.5
159.04395	0.5
159.08012	0.7
159.11649	0.8
161.09612	0.3
168.05701	4.3
169.06487	6.0
169.10127	0.3
171.04413	3.4
171.08047	0.5
171.11678	0.4
172.05092	0.6
173.02330	0.4
173.06010	0.4
173.09634	0.7
175.03860	0.6
183.11574	0.4
185.05959	4.6
186.03130	4.6
186.06705	2.6
187.03860	1.1
187.07570	0.4
187.14793	0.3
189.01787	0.3
189.09123	0.4
192.28491	0.3
195.04349	1.4
196.05197	5.0
197.05978	5.3
198.06720	0.7
199.03900	7.8
200.04590	0.6
201.05472	8.3
201.09065	1.1
213.05467	5.8
214.06163	3.3
215.03427	2.4
215.06947	0.4
216.04128	0.4
217.01407	0.6
217.04927	0.3
224.04694	1.8
225.05368	0.8
227.03415	1.8
229.04948	25.6
229.08647	1.1
230.05370	0.3
239.17923	0.5
241.04942	1.1
242.05731	72.4
243.06123	1.8
243.08269	0.3
256.26492	1.8
257.08087	100.0
257.15344	4.7
257.18704	1.4
257.26666	11.8
258.08371	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	256.9646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61262	0.5
54.98642	0.6
56.96564	31.8
57.03447	1.0
58.06592	0.8
63.61535	0.5
69.03415	1.0
70.44260	1.3
71.95263	4.6
73.02898	0.9
77.00903	0.8
81.03411	1.0
84.08130	0.8
84.96013	1.0
85.02926	0.8
97.02921	1.1
97.07655	0.8
98.97583	100.0
99.97867	0.6
101.00885	1.1
104.10754	5.3
110.07179	0.9
110.97547	1.9
116.98618	94.4
119.01919	6.4
123.78192	0.5
124.99109	1.2
125.07127	3.0
128.98616	2.1
130.93304	3.0
131.01910	1.6
132.96541	1.0
133.03381	0.7
134.99657	69.3
136.98515	0.6
137.02937	1.2
137.98421	0.9
140.00165	3.9
140.99634	0.8
143.00191	2.8
143.01924	1.3
145.01726	0.5
145.03462	2.2
146.99655	1.9
148.94357	0.6
149.01215	0.9
150.97623	0.5
153.00702	12.5
153.06616	0.8
154.93346	1.7
154.98579	0.7
155.01933	0.7
157.03456	3.2
158.01277	5.4
158.99658	1.7
159.01561	0.7
159.97879	0.8
161.01273	2.0
161.02908	2.8
162.94810	0.5
164.56929	0.5
165.00751	0.8
166.98524	0.6
168.98355	1.1
172.94307	4.8
173.02972	1.4
174.97682	1.7
175.99112	1.0
176.97339	1.3
177.00819	3.5
182.98178	1.4
185.02942	1.1
188.01015	0.6
189.98894	1.2
190.95401	8.0
190.98636	0.5
191.98660	0.7
192.98735	1.6
193.51407	0.7
194.98228	2.5
198.00520	1.1
198.97722	0.7
202.97031	0.8
203.02536	1.6
203.04117	1.1
203.98660	1.0
208.96359	3.4
210.00427	0.8
210.99464	0.7
212.52016	0.7
214.95239	2.9
215.04025	2.0
216.98720	5.3
218.98859	0.6
219.01929	0.9
219.98073	0.8
219.99988	2.4
220.98140	0.8
221.00056	0.8
221.05042	1.2
223.01050	0.9
224.00183	1.1
224.99239	0.9
229.00557	1.3
229.05659	0.9
232.96408	14.6
233.00406	2.6
233.51123	0.8
233.99695	5.6
234.99742	2.5
236.50951	0.6
237.02780	1.0
238.52815	0.7
239.01564	3.0
239.06049	1.3
241.96518	0.6
242.01355	1.5
243.00351	5.1
245.50586	1.2
245.99780	0.7
246.97725	0.6
250.97440	7.4
252.00734	0.7
252.96451	2.7
253.98824	1.1
254.01451	1.4
254.48737	0.9
255.00197	1.1
255.03893	1.2
255.98106	1.2
256.26483	0.6
256.96390	9.3
257.02740	13.5
257.05182	1.2
257.07764	0.9
259.00018	0.8
264.00763	2.2
274.97491	65.3
275.03662	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	256.0968
Annotation	Ketorolac
Peak:m/z	Relative Intensity
51.14653	0.1
57.07055	0.2
69.46120	0.3
69.46529	0.8
135.04379	0.3
167.07285	0.2
168.08092	0.3
170.45721	0.1
175.03905	0.6
176.04213	0.9
181.40570	0.1
184.07596	2.1
185.08315	0.4
195.06813	0.3
196.07610	1.5
198.05493	1.4
210.12021	0.4
211.06276	0.6
212.07054	2.4
213.07845	23.1
214.08333	0.8
223.06282	0.4
224.06987	0.4
238.08696	0.2
240.06606	0.2
241.07335	10.6
242.07700	0.2
256.09677	100.0
256.26312	0.7
257.10013	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	256.1331
Annotation	(S)-N-(1-Hydroxymethyl-2-phenylethyl)-benzamide
Peak:m/z	Relative Intensity
51.02381	0.7
53.03944	3.5
55.01859	0.3
55.05507	0.8
56.10622	0.4
57.07064	0.5
67.05513	0.4
69.07067	0.8
71.04989	0.7
71.51762	0.5
74.00884	0.3
77.03930	0.9
79.05498	5.4
80.40260	0.4
81.03431	0.6
81.07054	0.6
88.07672	0.4
91.05489	1.9
92.05816	0.5
93.07049	0.5
95.04968	5.1
103.05469	4.6
104.12374	0.4
105.03395	100.0
105.07032	20.7
106.03736	1.7
107.04980	0.4
107.08600	0.6
113.39366	0.4
120.05772	3.2
131.04939	1.6
135.08058	78.5
136.08403	1.4
147.04375	1.9
148.04716	1.2
159.04440	1.6
161.02306	0.5
165.06993	0.4
168.05722	0.4
173.02480	0.4
174.11020	0.4
175.02380	0.4
175.03908	7.7
176.04248	10.8
185.06015	0.4
187.03871	2.3
189.01880	2.0
201.01794	0.9
203.03465	1.1
213.05496	1.4
215.07014	1.0
219.02895	1.6
228.06636	0.6
229.08621	1.0
256.06140	0.9
256.10464	2.8
256.13376	11.5
256.26318	2.3
257.08087	3.7
257.13550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01876	2.9
55.05489	0.5
55.08215	0.5
56.96297	0.8
56.96564	12.9
57.03437	5.5
57.07072	0.8
58.96156	0.5
58.99850	1.1
59.04990	0.7
60.04530	0.5
61.02926	3.3
67.05502	0.6
69.03426	5.6
69.07049	0.6
69.62711	3.5
70.06583	1.7
71.01350	2.1
71.04995	0.7
71.95268	1.0
72.08128	0.9
73.02905	5.6
77.00906	0.7
80.05032	2.5
81.03407	1.5
82.01445	0.8
83.06101	0.5
84.08132	1.6
84.96030	0.9
85.02901	8.7
86.06097	0.5
87.04440	1.3
93.07082	0.6
95.04951	0.5
96.04474	0.6
96.08112	0.5
97.01405	1.4
97.02897	4.6
98.97585	24.3
99.04462	0.6
100.02474	4.1
101.00887	3.6
103.02408	0.5
105.00339	0.5
105.03380	2.8
109.02863	0.6
110.01291	0.6
110.07129	1.1
110.09669	1.6
110.97593	0.7
111.07475	0.5
113.00861	1.2
113.02370	1.2
114.05542	1.3
115.02434	15.8
115.03851	2.4
116.65100	0.5
116.98621	20.8
117.03975	1.9
117.32417	0.5
118.03532	2.3
119.01911	12.2
121.82486	0.5
123.05543	4.0
124.03951	100.0
125.04372	0.9
127.02406	1.3
127.03908	1.6
127.04922	0.8
128.10687	1.1
128.98611	2.1
130.08614	1.6
130.93295	0.5
131.00212	0.7
131.01897	3.3
133.03474	13.1
133.04956	3.9
134.99660	13.0
135.05000	1.3
137.02956	1.7
138.03983	1.1
140.00185	1.2
142.03494	7.9
142.96452	0.6
143.01897	4.4
144.10202	1.0
145.03442	4.2
146.99620	1.1
147.01385	1.2
149.02921	0.7
153.00685	2.1
154.03575	0.5
155.01941	0.6
155.08131	1.7
156.05046	1.0
157.03487	0.8
158.01256	1.1
158.99649	1.1
159.01392	1.2
160.04651	2.0
161.02972	6.8
161.05602	1.0
163.02936	0.5
163.04515	1.0
168.05080	0.8
169.03319	1.2
170.06137	0.7
171.01379	4.6
172.94402	0.9
173.03000	1.3
174.55231	1.2
175.04335	0.6
177.00854	1.0
177.02322	0.9
182.01430	0.5
182.03119	0.6
184.04646	1.3
185.03049	0.7
186.99203	0.9
187.00882	1.7
187.02649	0.8
187.04529	2.9
189.00714	0.9
189.02457	5.4
189.04004	0.7
189.06084	0.5
190.95447	1.5
190.98657	1.0
194.08189	0.6
196.99318	0.8
200.04054	2.0
205.01942	0.9
206.98253	0.5
207.03511	3.7
208.96432	0.6
212.04018	5.3
214.95401	0.6
215.00450	1.8
215.04050	1.0
219.01854	1.0
228.03499	0.5
230.05141	3.1
232.96466	3.1
233.01450	15.0
233.04988	0.6
237.02773	0.6
238.01796	1.1
238.09306	0.6
241.16084	0.5
247.46536	0.5
248.99179	0.8
251.02492	39.9
252.02689	1.9
256.03033	32.7
256.10025	1.1
256.12820	1.2
256.26315	2.4
256.96539	2.1
257.03180	1.3
267.00189	0.8
274.04059	22.4
274.97507	18.8
275.04221	1.4
279.04654	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46883	0.3
52.01062	0.4
52.65126	0.4
53.03954	0.5
55.01879	2.8
55.05508	1.2
56.96302	0.7
56.96567	9.4
57.03442	6.0
58.99860	0.8
61.02935	3.2
69.03433	6.7
69.07069	0.7
69.47890	2.7
70.06599	3.4
71.01346	1.3
71.04996	1.2
71.95260	0.6
72.08145	1.0
73.02927	5.1
73.43987	0.4
74.97603	0.8
77.00890	1.0
80.05006	1.2
81.03422	1.6
83.04971	0.6
83.06099	0.6
84.04507	0.8
84.08150	3.9
84.96046	1.4
85.02908	10.6
86.03202	0.5
87.04470	1.3
88.07632	0.8
91.03958	0.4
93.07045	0.4
95.04984	0.7
95.08590	0.6
96.04489	1.0
97.02893	4.2
98.20767	0.8
98.97581	8.8
99.04449	1.0
100.02454	2.1
101.00889	4.0
103.02425	0.6
103.03942	1.0
105.03367	2.0
109.02882	0.9
110.07182	3.1
110.09676	0.6
110.97580	1.3
111.07495	1.5
113.02394	0.8
114.05511	0.5
115.02445	6.2
115.03900	2.4
116.07077	0.5
116.98618	6.9
117.03996	1.2
118.03493	0.5
119.01917	11.2
119.04916	0.5
120.02014	0.6
123.05561	0.8
124.03957	100.0
125.04302	1.3
125.07016	0.5
127.02394	0.5
127.03918	2.7
128.02327	1.2
128.98618	1.8
130.08641	2.6
131.00220	0.9
131.01907	3.0
131.03435	0.5
133.03485	5.5
133.04938	3.7
134.06046	0.5
134.99654	5.2
135.05035	1.0
135.11993	0.4
137.02921	2.8
138.54106	0.5
142.03510	10.6
142.96506	0.5
143.00195	0.5
143.01906	5.6
144.98082	0.5
145.03435	3.1
145.05016	1.0
146.99675	1.3
149.01221	0.7
150.03691	0.5
152.07108	0.5
154.03557	0.6
155.01842	0.6
155.08176	1.0
156.05043	0.6
156.07666	0.8
157.03467	0.8
157.08067	0.5
157.10861	0.5
158.01231	0.8
158.99661	2.1
159.01237	0.5
160.04628	1.8
161.01445	0.9
161.02965	9.8
162.03439	0.6
162.99153	0.6
163.02766	0.5
163.04465	1.1
165.00768	0.5
165.05205	0.8
165.54742	0.7
166.08675	0.7
168.05084	0.9
168.06474	0.6
169.04434	1.6
170.99747	0.6
171.01450	1.6
173.02994	1.2
174.04482	0.5
174.55196	1.2
175.00871	0.7
175.04517	0.6
177.00745	2.5
177.02414	1.0
178.04936	0.5
180.55222	0.5
182.03072	1.6
184.04631	1.5
185.02930	0.8
186.04483	0.6
186.06033	0.4
187.00916	1.3
187.02792	1.0
187.04507	1.2
189.00693	1.6
189.02449	2.1
189.04208	0.9
190.98660	0.6
191.03998	0.6
193.03703	0.5
194.08156	1.9
200.04131	2.6
201.00705	0.7
203.02219	0.5
203.03983	0.5
204.05547	0.8
205.01971	1.1
207.03548	1.5
208.99734	0.6
210.06174	0.5
211.05058	0.5
212.04095	2.4
212.09201	1.0
215.00314	0.9
215.04076	1.0
219.01799	1.2
228.03477	0.7
228.05443	0.7
228.18173	0.9
230.05061	1.0
233.01416	5.8
233.05087	1.0
246.06577	0.6
248.99240	1.4
251.02501	13.9
252.02681	0.7
256.03021	11.6
256.05698	0.6
256.08163	0.9
256.12167	0.9
256.26364	3.3
257.02914	0.5
261.02838	0.5
267.00198	0.7
269.00583	0.4
274.04044	7.3
274.97470	2.2
279.04413	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0603
Annotation	Arolycoricidine
Peak:m/z	Relative Intensity
50.10934	0.4
55.05500	0.8
57.07072	1.0
62.24407	0.3
67.05504	0.5
69.07043	1.1
69.53504	2.5
70.06568	0.4
72.00877	0.4
74.76488	0.3
81.07066	0.7
83.04977	1.2
88.07639	0.4
91.05424	0.5
95.08569	0.5
98.98474	0.5
105.03366	0.5
130.06548	1.9
132.08012	0.5
142.06454	0.4
144.08063	0.9
147.04385	0.5
154.06480	0.5
157.05179	0.4
158.06029	1.9
172.07553	1.3
173.10779	0.5
174.11057	1.1
175.03885	1.1
176.04227	1.1
176.07080	0.8
182.05986	0.8
184.07489	0.5
185.04735	1.2
186.05457	0.9
200.07126	1.1
204.06577	1.7
210.05447	0.8
210.12654	0.5
212.07083	1.3
213.04117	0.9
214.05084	0.4
228.06549	100.0
229.06912	1.6
256.06052	53.9
256.14276	1.6
256.26334	4.9
257.06613	1.3
257.09192	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86808	0.3
53.03934	0.6
55.01872	3.2
55.05508	1.0
56.05016	0.4
56.96564	10.3
56.96848	0.6
57.03437	6.2
57.07080	0.5
58.99863	1.3
59.04990	0.8
60.04522	0.4
60.36453	0.2
61.02924	3.3
61.67126	0.3
67.05490	0.5
68.05032	0.4
68.35859	0.3
69.03429	5.5
69.07066	0.4
69.96753	0.5
69.97156	1.1
70.03746	0.3
70.06592	2.0
71.01344	1.1
71.04982	0.4
71.95266	0.9
72.08131	0.5
73.02913	4.6
74.06093	0.3
75.04485	0.3
77.00896	1.0
78.03427	0.3
80.05011	2.0
81.03415	1.0
81.07074	0.4
82.01408	0.6
83.04967	0.5
83.06099	0.6
83.08633	0.4
84.04481	0.3
84.08140	2.2
84.96033	0.8
85.02903	9.6
85.06564	0.3
87.04465	1.1
93.07034	0.5
94.06580	0.3
95.04950	0.4
96.04488	1.6
97.01413	1.3
97.02889	4.4
98.20839	0.4
98.97581	8.5
99.04443	0.7
100.02480	3.4
101.00874	2.8
103.02465	0.4
103.03902	0.3
105.00348	0.3
105.03375	1.9
109.02884	0.9
110.01317	0.5
110.07153	0.8
110.09665	0.5
110.97562	0.8
111.07510	0.5
112.99146	0.4
113.00888	0.8
113.02365	1.1
114.05495	1.0
115.02431	14.0
115.03873	2.1
116.98621	7.9
116.99446	0.3
117.03975	1.9
118.03497	2.1
119.01912	10.3
120.02016	0.5
121.01565	0.4
123.02901	0.3
123.05550	3.7
124.03950	100.0
127.02423	0.6
127.03963	1.3
127.04788	0.3
128.02296	1.0
128.10718	0.8
128.98616	1.1
129.03998	0.4
130.08643	2.3
130.93280	0.4
131.00166	0.8
131.01233	0.3
131.01903	3.2
132.00871	0.3
133.03464	11.8
133.04951	3.5
134.03571	0.5
134.99655	5.5
135.05020	1.6
137.02905	2.6
138.03987	1.0
140.00168	0.4
142.03488	7.3
143.00186	0.6
143.01901	4.3
144.10179	0.7
145.03464	4.3
145.04880	0.5
146.99626	1.2
147.01363	0.4
147.03200	0.3
149.01192	0.7
149.02908	0.5
152.02187	0.3
152.07063	0.5
153.00623	1.1
153.04086	0.3
154.03503	0.7
155.01941	0.4
155.08141	1.8
156.05031	1.5
157.03429	0.4
158.01262	0.6
158.99673	0.9
159.01353	1.6
160.04604	1.9
160.97551	0.4
161.01286	0.8
161.02945	6.8
161.05534	0.4
162.01714	0.5
163.04517	0.7
165.00685	0.3
165.05099	0.5
165.54637	0.5
166.08615	0.5
168.01622	0.3
168.05051	0.9
169.03442	0.9
169.05431	0.5
170.99815	0.4
171.01390	4.0
173.01213	0.4
173.02942	1.0
174.04497	0.3
174.55205	0.6
174.99182	0.3
175.00812	0.8
175.05376	0.4
177.00717	1.7
177.02438	1.6
177.12842	0.4
178.06242	0.4
178.98650	0.4
179.02086	0.4
182.02936	1.3
184.03036	0.5
184.04405	1.7
185.03012	0.8
186.04504	0.4
186.06081	0.3
187.00903	1.9
187.02826	0.6
187.04439	2.0
188.97017	0.3
189.00700	0.8
189.02417	4.6
189.04063	0.6
189.55806	0.3
190.95290	0.3
190.98650	1.2
191.02356	0.4
191.03973	0.4
192.02901	0.4
194.03055	0.8
194.08131	0.4
196.99388	0.3
198.04611	0.3
200.04044	1.9
201.00711	0.6
203.02237	0.4
203.04027	0.7
204.05470	0.5
205.00281	0.4
205.01936	1.4
205.03687	0.5
207.03497	2.8
210.02557	0.4
210.08754	0.4
212.04060	5.6
212.06015	0.4
212.09264	0.4
215.00259	1.7
219.01741	0.8
220.99536	0.3
221.04955	0.4
228.03537	0.7
230.05147	2.1
232.96544	0.6
233.01428	13.4
233.05121	0.5
234.01564	0.5
235.05321	0.5
237.02826	0.4
238.01962	0.9
238.09128	0.3
244.05197	0.6
245.05078	0.4
248.99187	1.2
251.02487	38.7
252.02679	0.8
256.03015	30.6
256.09549	0.9
256.12527	0.6
256.26324	1.5
257.03128	0.9
267.00223	0.5
269.00366	0.5
274.04071	21.1
274.97504	5.2
275.04196	0.5
279.04651	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	255.1379
Annotation	1,2-Dimethyl-6-hydroxy-7-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
53.03943	0.3
55.01877	0.5
55.05514	1.1
57.03442	0.4
57.07070	0.5
65.03949	0.2
67.05504	1.5
69.03421	0.3
69.07057	1.3
69.29396	1.3
69.29832	0.6
71.04996	0.3
77.03926	0.3
77.46349	0.2
79.05489	1.8
81.07056	1.8
83.04987	0.6
84.01216	0.2
85.06554	0.2
91.05477	3.2
93.07051	1.5
95.04966	0.7
95.08627	0.6
97.06522	0.3
97.10152	0.2
98.21581	0.4
98.98473	3.4
103.05454	0.4
105.03395	0.4
105.07033	1.3
105.10986	0.2
107.04924	0.5
107.08604	0.6
109.06532	0.5
109.10156	0.5
113.11591	0.2
115.05468	0.7
115.64365	0.2
117.07018	0.9
119.04923	1.5
119.08570	1.4
121.02813	0.3
121.06496	0.4
121.10172	0.4
124.47047	0.2
128.06190	1.9
129.07008	2.7
131.04895	0.4
131.08546	0.7
133.02879	1.0
133.06514	0.3
133.10202	0.4
135.04393	0.5
135.08035	0.4
135.11731	0.3
137.95216	0.2
141.06993	2.9
142.07764	5.9
143.08563	3.3
144.09340	0.5
145.06468	1.0
145.10144	0.5
147.04398	1.8
147.07953	0.2
152.06262	0.9
153.06973	0.6
154.07762	0.7
155.08546	2.2
156.05621	0.2
156.09314	1.2
157.06499	2.5
157.10118	6.2
158.07202	0.3
159.04417	0.4
159.08096	0.7
163.07556	0.3
165.07011	1.6
166.07771	1.0
167.08571	2.1
168.09332	0.3
169.06480	1.2
169.10121	1.4
170.07326	1.3
170.10881	0.4
171.08058	4.3
171.11618	0.5
172.08812	7.0
173.09627	0.9
175.03911	9.0
178.07819	0.6
179.08559	5.5
179.10136	0.3
180.09294	0.7
181.06479	0.4
181.10138	0.9
182.07271	0.4
183.08014	1.6
183.11664	0.5
184.05176	0.3
184.08771	2.0
185.06055	0.6
185.09612	16.1
185.13165	0.6
186.06688	0.3
186.10181	0.3
187.07556	0.6
189.09081	0.4
193.10130	0.8
194.07147	0.3
194.10902	2.4
195.08037	1.8
195.11694	0.6
197.05988	2.5
197.09607	3.7
197.13161	0.3
198.06773	3.3
198.10435	0.6
199.03891	0.2
199.07535	1.6
199.11194	1.3
199.14812	0.6
201.09064	1.1
207.08037	1.3
208.08914	0.3
209.09624	0.7
209.13297	0.8
210.06775	0.7
211.07539	2.7
211.10989	1.0
212.08305	8.5
212.11752	1.9
213.09103	10.3
213.12685	0.8
214.09612	0.3
219.11597	0.6
221.09709	1.0
221.11525	0.2
222.10393	9.0
223.11058	0.8
224.08224	0.3
225.06793	0.5
225.09099	16.0
226.09785	0.9
227.10733	1.8
227.14287	3.9
237.12732	28.1
238.13161	0.5
239.10609	1.9
240.11446	19.2
241.11838	0.2
253.12292	0.6
255.10233	3.2
255.13786	100.0
256.06107	0.3
256.14114	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1379
Annotation	1,2-Dimethyl-6-hydroxy-7-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
50.01627	0.2
53.03946	0.3
54.98451	0.2
55.01867	0.5
55.05513	0.9
57.03435	0.4
57.07068	0.9
61.43575	0.2
65.03941	0.6
67.05502	1.6
69.03420	0.4
69.07050	0.9
69.71016	1.0
71.04974	0.2
74.65234	0.2
77.14616	0.2
79.05489	1.3
81.03420	0.2
81.07046	1.3
82.88092	0.2
83.04983	0.2
83.08617	0.4
91.04911	0.2
91.05473	4.1
93.07052	1.4
95.04936	0.3
95.08598	0.4
95.51180	0.2
97.10147	0.2
98.97865	0.3
98.98460	3.5
99.04323	0.2
103.05475	0.3
105.07030	1.3
107.04932	0.4
107.08585	0.6
109.02880	0.3
109.06511	0.2
109.10139	0.4
111.08065	0.2
115.05470	0.8
116.99527	0.2
117.07026	1.0
119.04918	2.1
119.08559	1.3
121.02839	0.2
121.06483	0.3
121.10126	0.3
128.06186	1.7
129.06996	2.3
130.07738	0.3
131.05014	0.3
131.08600	0.4
135.04410	0.3
135.08032	0.3
135.11684	0.5
141.06979	2.1
142.07785	4.4
143.08557	2.6
145.06462	0.8
147.04401	5.2
147.08041	0.2
152.06203	0.6
153.05486	0.2
153.06955	0.5
154.07777	0.6
155.05960	0.2
155.08556	1.8
156.09309	1.0
157.06490	1.8
157.10120	5.2
158.07191	0.4
159.04456	0.6
159.08052	0.5
165.06979	1.4
166.07785	0.5
167.08549	2.0
169.06491	1.1
169.10110	1.1
170.07298	1.0
170.10892	0.6
171.04375	0.5
171.08029	3.3
171.11681	0.5
172.08826	6.1
173.06009	0.2
173.09583	0.9
175.03899	27.0
176.04208	0.4
178.07710	0.2
179.08549	4.1
180.09241	0.6
181.10101	0.8
182.07269	0.6
183.08055	1.2
183.11716	0.3
184.05191	0.3
184.08820	1.7
184.12411	0.4
185.06001	0.6
185.09607	13.8
186.06773	0.3
187.07489	0.2
189.09082	0.7
193.10086	0.4
194.07277	0.2
194.10904	2.2
195.08031	2.1
195.11674	0.5
196.08907	0.3
197.05981	1.6
197.09616	3.6
197.13329	0.2
198.06755	3.2
198.10365	0.4
199.03865	0.5
199.07523	1.0
199.11160	0.9
199.14760	0.6
201.09128	1.3
207.07985	1.1
208.08759	0.2
209.09718	0.4
209.11664	0.7
209.13287	0.7
210.06729	0.5
211.07590	1.9
211.11093	0.9
212.08318	7.3
212.11794	1.7
213.09126	12.5
213.12656	0.9
214.09528	0.3
216.06541	0.3
219.11690	0.7
219.46173	0.2
221.09567	0.7
222.10391	7.5
223.11021	0.7
224.08311	0.3
225.09087	12.9
226.09821	1.1
227.10780	1.8
227.14264	3.6
237.12732	21.8
238.13136	0.5
239.07089	0.2
239.10661	1.9
240.07559	0.4
240.11438	16.2
241.07179	0.3
241.11671	0.3
242.89944	0.2
253.21825	0.2
255.10193	11.0
255.13776	100.0
256.09732	3.5
256.14066	2.0
258.73441	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1378
Annotation	1,2-Dimethyl-6-hydroxy-7-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
55.01870	0.5
55.05500	0.8
57.03442	0.2
59.04985	0.2
61.02692	0.2
65.03945	0.3
67.05501	1.1
69.03426	0.3
69.07070	0.7
69.30769	1.2
69.31164	0.3
71.04993	0.2
75.27089	0.1
77.03921	0.8
79.05492	1.1
81.07047	1.1
83.04999	0.2
91.05482	2.2
93.03408	0.2
93.07038	0.9
95.04988	0.2
95.08612	0.5
98.98474	0.7
103.05463	0.2
105.03397	0.6
105.07011	1.2
107.04987	0.7
107.08605	0.5
109.06525	0.3
109.10152	0.4
115.05434	0.9
117.06991	1.1
119.04935	1.0
119.08573	1.3
121.06528	0.4
121.10174	0.3
128.06190	1.6
129.06996	2.1
130.07851	0.2
131.04926	0.3
131.08586	0.3
132.45126	0.2
133.02852	1.7
133.06493	0.5
135.04420	0.8
135.08092	0.4
141.06978	2.2
142.07768	5.0
143.08551	3.0
144.05721	0.2
144.09416	0.2
145.06436	0.8
145.10130	0.5
147.04399	1.0
147.08063	0.4
151.03925	0.3
152.06218	0.7
153.07034	0.7
154.07819	0.7
155.08527	1.6
156.09293	1.4
157.06497	2.0
157.10120	5.0
158.07242	0.5
159.04388	0.2
159.08061	0.9
161.06029	0.2
161.09685	0.3
163.07631	0.3
165.06981	1.5
166.07784	0.7
167.08560	2.2
168.09332	0.4
169.06464	1.6
169.10117	1.6
170.07265	1.1
170.10909	0.5
171.04398	0.3
171.08051	4.3
171.11670	0.6
172.08820	6.2
173.05875	0.2
173.09605	0.9
175.03897	2.0
175.07535	0.2
178.07736	0.3
179.08545	5.1
180.09392	0.7
181.06337	0.4
181.10124	0.7
182.07256	0.4
183.08044	1.6
183.11685	0.4
184.05193	0.4
184.08780	1.3
184.12477	0.4
185.06036	0.7
185.09605	16.7
186.06721	0.2
186.10141	0.2
187.07523	0.4
189.09125	0.4
193.10127	0.7
194.07294	0.3
194.10890	2.3
195.08023	1.6
195.11586	0.3
196.08801	0.2
197.05969	2.3
197.09596	3.8
198.06721	2.8
198.10378	0.8
199.07510	1.7
199.09274	0.2
199.11192	1.2
199.14832	0.5
201.09096	1.3
204.09355	0.2
207.08090	1.2
208.08794	0.4
209.09633	0.6
209.13203	0.8
210.06764	0.6
211.07567	2.3
211.11140	1.2
212.08313	9.1
212.11761	1.9
213.05719	0.4
213.09088	9.0
213.12392	1.3
214.09695	0.2
219.11687	0.8
221.09608	0.7
222.10396	9.0
223.11145	0.6
224.08260	0.2
225.09088	15.4
226.09796	1.2
227.10735	1.4
227.14270	4.0
237.12727	25.0
238.13127	0.6
239.10626	1.7
240.11432	17.5
241.11879	0.4
253.12233	0.3
255.13779	100.0
256.14212	1.2
273.14792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1379
Annotation	1,2-Dimethyl-6-hydroxy-7-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
51.02373	1.9
53.03938	1.9
55.01862	2.6
55.05513	6.6
57.03431	6.8
57.07063	1.6
65.03931	1.1
67.05506	16.9
69.03439	0.9
69.06730	0.9
69.07066	11.3
69.34798	5.8
70.01846	0.6
71.01341	1.0
71.04987	0.9
77.03927	18.5
79.05492	17.4
81.03392	2.4
81.07058	11.0
83.04980	3.8
83.08607	3.3
85.06518	1.4
91.05479	13.3
92.73273	0.6
93.06482	1.2
93.07041	17.1
95.04971	3.7
95.08595	6.3
97.06533	3.1
97.10149	2.4
98.21491	1.2
98.98470	6.7
99.02348	0.6
103.05455	2.5
105.03385	8.9
105.07028	4.4
107.04948	5.5
107.08601	12.4
109.06534	0.9
109.10158	6.5
111.08092	0.8
115.05444	2.1
117.07006	2.9
119.04925	1.0
119.08569	3.1
121.06452	2.4
121.10135	8.1
123.08042	0.9
128.06226	5.4
129.07002	2.8
131.04884	2.0
131.08539	2.0
133.02850	69.2
133.06499	4.9
133.10121	2.4
134.03563	1.5
135.04420	20.6
135.11685	14.6
141.06960	2.4
142.07846	1.4
143.04904	1.6
143.08556	4.1
144.05696	1.7
145.06508	5.7
145.10106	2.5
147.04414	13.4
147.05560	1.4
147.08040	4.0
149.05937	2.3
151.03900	11.3
152.06117	1.0
153.06952	0.8
155.06053	0.8
155.08490	1.0
157.06485	12.5
157.10110	1.7
158.07237	1.0
159.04372	1.7
159.08029	7.1
159.11713	0.9
161.06010	9.2
163.11147	2.0
165.07011	0.8
167.08556	1.6
169.06502	2.2
169.10133	1.0
170.07271	1.1
171.08044	25.7
171.11720	1.3
171.49542	0.7
172.08759	1.4
173.05934	2.2
173.09593	3.3
174.05592	1.0
175.03914	13.0
175.07535	7.9
176.04649	0.9
179.08488	2.4
181.06430	1.0
181.10139	1.0
181.12247	1.6
183.08020	2.1
183.11803	0.7
184.08920	1.2
185.05981	3.5
185.09608	13.2
185.13293	1.0
187.07503	4.4
194.10910	1.6
195.08023	2.5
195.11711	1.1
197.09618	2.6
198.10385	2.3
199.07521	13.8
199.11145	2.3
209.09627	1.2
209.13324	1.5
211.11165	1.6
212.11926	2.8
213.09209	7.1
213.12721	14.8
222.10368	1.1
225.09271	0.8
227.10741	1.2
227.14288	13.8
228.06445	0.9
237.12666	5.4
240.11314	1.1
255.13773	100.0
255.15884	6.2
256.14108	1.6
273.14771	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	255.1379
Annotation	1,2-Dimethyl-6-hydroxy-7-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
55.01852	0.4
55.05500	0.7
56.15214	0.1
57.03425	0.2
65.03954	0.2
67.05495	0.7
69.03416	0.3
69.07059	0.6
69.89202	0.1
70.02906	0.5
70.03333	0.3
70.06569	0.2
71.04975	0.3
79.05497	0.9
81.07053	0.9
83.05003	0.2
91.05472	1.3
93.07020	0.6
95.04938	0.3
95.08613	0.3
97.06541	0.2
98.98495	0.9
103.05487	0.2
105.03396	0.2
105.07029	1.2
107.08582	0.4
107.54494	0.2
109.06506	0.3
109.10168	0.2
115.05447	0.7
115.14297	0.1
117.07013	0.8
119.04941	0.9
119.08560	1.0
121.02898	0.3
121.06521	0.4
121.10110	0.2
123.05536	0.3
127.03897	0.2
128.06219	1.1
129.07010	2.1
131.04932	0.2
131.08549	0.5
133.02797	0.2
133.06482	0.3
133.10127	0.3
135.08081	0.2
141.06963	1.4
142.07788	3.9
143.08563	2.6
144.09366	0.3
145.06514	0.5
145.10117	0.4
147.04364	0.2
147.08037	0.3
152.06216	0.6
153.06993	0.6
154.07771	0.3
155.08566	1.5
156.09344	1.1
157.06482	1.2
157.10136	3.9
158.07193	0.3
159.04425	0.4
159.08064	0.4
159.11647	0.2
161.05948	0.2
165.06990	0.9
166.07788	0.6
167.08539	1.9
169.06522	1.2
169.10118	1.2
170.07231	0.8
170.10890	0.4
171.04376	0.3
171.08055	2.6
171.11690	0.2
172.08835	4.0
173.05963	0.2
173.09636	0.9
178.07594	0.2
179.08543	3.9
180.09276	0.2
181.10101	0.5
182.07330	0.2
183.08040	1.6
183.11644	0.3
184.05180	0.3
184.08798	1.4
184.12506	0.3
185.06079	0.7
185.09615	9.5
187.07549	0.3
189.09125	0.3
193.10136	0.6
194.10886	1.5
195.08095	1.8
195.11710	0.3
196.08760	0.3
197.06000	1.4
197.07967	0.2
197.09631	2.6
198.06778	2.0
198.10403	0.5
199.07503	0.9
199.11195	0.9
199.14822	0.2
201.09113	2.2
201.43773	0.2
207.08052	0.8
208.08752	0.3
209.09636	0.6
209.13303	0.4
210.06668	0.4
211.07550	1.6
211.11218	0.8
212.08331	5.1
212.11819	1.6
213.09099	9.4
213.12473	0.4
214.09593	0.2
219.11678	0.5
221.09595	0.5
222.10402	5.8
223.11247	0.7
225.09106	11.9
226.09810	1.0
227.10713	1.5
227.14255	2.3
237.12737	16.9
238.13182	0.2
239.10608	2.5
240.11443	16.1
241.11845	0.3
253.12352	0.2
255.10202	3.2
255.13792	100.0
256.14117	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	255.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55906	0.1
51.02380	0.2
53.42376	0.1
55.05503	0.3
57.07075	0.3
65.03926	0.7
67.05483	0.3
69.07063	0.7
70.98297	0.3
71.28674	0.1
79.05519	0.3
81.07063	1.9
83.04991	0.2
83.08622	0.2
91.05478	10.4
93.07040	0.8
95.04949	0.3
95.08609	0.3
97.06518	0.1
97.10162	0.3
98.98470	1.7
103.05468	0.5
107.08615	0.2
109.10168	0.2
115.05432	0.2
119.04932	5.5
121.02852	0.3
129.07019	0.3
131.04878	0.2
133.06421	0.2
133.10162	0.2
135.11664	0.2
141.07051	0.2
145.10193	0.2
147.04405	21.1
148.04745	0.3
155.08607	0.1
159.04579	0.1
159.45879	0.1
163.03908	0.3
171.04477	0.4
175.03900	100.0
176.04240	1.4
177.05450	0.2
183.11710	0.2
185.06027	0.2
185.13284	0.1
189.05417	0.8
192.06490	0.2
199.03915	1.2
209.11674	0.2
213.05508	0.6
216.06558	1.3
227.07071	0.2
227.71660	0.1
255.10159	13.6
255.17535	0.3
255.21016	0.3
256.10379	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32122	0.2
51.02380	0.2
53.03937	0.2
55.05502	0.5
56.57875	0.1
57.03418	0.3
57.07053	0.2
57.17756	0.2
60.81175	0.1
65.03933	0.3
67.05497	0.6
69.07059	0.7
71.44120	0.3
74.82573	0.1
74.89085	0.1
77.03925	0.2
79.05495	0.9
81.07062	2.2
83.04948	0.3
91.05483	9.7
93.07039	1.3
95.04994	0.2
95.08604	0.5
97.06527	0.3
97.10146	0.2
98.98472	2.3
103.05473	0.5
105.03373	0.4
105.07050	0.4
107.04997	0.2
107.08607	0.4
109.10143	0.3
110.67922	0.2
117.07042	0.2
119.04952	4.7
119.08575	0.3
121.10164	0.3
129.06966	0.3
131.04909	0.2
131.08578	0.2
133.02858	0.8
133.06482	0.2
133.10114	0.2
135.04381	0.5
135.11699	0.4
143.08569	0.3
145.06509	0.3
145.10098	0.3
147.04413	18.7
148.04768	0.4
151.03911	0.3
157.06590	0.2
157.10222	0.3
159.08054	0.2
163.03841	0.2
166.07841	0.2
167.03464	0.2
171.04460	0.3
171.08025	0.4
173.05960	0.2
175.03909	100.0
176.04233	1.6
181.58435	0.2
185.06053	0.2
185.09673	0.3
187.07526	0.2
189.05478	0.5
195.07997	0.2
199.03996	0.9
199.07506	0.3
209.13385	0.2
213.05528	0.5
213.12721	0.4
216.06512	0.8
228.06584	0.3
255.10188	15.3
255.13771	2.3
255.17432	0.4
255.20946	0.4
256.06015	1.1
256.10431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.1
53.54755	0.1
54.93047	0.1
55.05495	0.2
57.03434	0.2
65.03928	0.4
67.05491	0.2
68.63171	0.1
69.07061	0.3
70.36880	0.3
70.37278	0.2
71.01398	0.1
75.95796	0.1
77.03931	0.2
79.05481	0.5
81.07058	1.6
91.05482	9.8
92.05817	0.2
93.07043	1.0
95.04958	0.1
95.08601	0.2
97.06517	0.1
98.98457	0.2
103.05464	0.4
105.03384	0.2
105.07026	0.2
107.08563	0.3
113.88344	0.1
115.68378	0.1
117.06969	0.1
119.04942	5.1
121.02859	0.3
128.06204	0.2
131.04886	0.2
133.02861	0.7
133.06456	0.1
135.04376	0.2
135.11726	0.1
141.07028	0.1
145.06496	0.1
147.04411	18.9
148.04739	0.3
157.06454	0.2
159.04370	0.1
161.06003	0.2
163.03902	0.3
171.04388	0.2
171.08067	0.3
175.03908	100.0
176.04242	1.4
185.06001	0.2
185.09619	0.2
186.10309	0.1
189.05457	0.8
192.06618	0.1
197.05833	0.1
199.03941	1.0
199.07532	0.2
201.05363	0.1
213.05464	0.5
213.09183	0.1
216.06578	0.4
227.06938	0.1
237.12901	0.1
240.07678	0.2
255.10172	12.9
255.13728	1.1
256.10559	0.3
273.15005	0.1
278.69421	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	255.1015
Annotation	2,3-Dimethoxy-7-hydroxy-phenanthrere
Peak:m/z	Relative Intensity
53.03937	1.0
55.01859	0.3
55.05496	1.4
56.44302	0.3
57.03436	0.3
57.07064	0.9
65.03920	0.7
67.05487	1.1
69.03400	0.6
69.07051	1.4
70.17001	0.4
70.17336	1.4
71.04976	0.3
79.05494	2.9
81.06644	0.5
81.07056	4.6
83.05006	0.4
91.05478	11.7
93.07047	7.8
94.07823	1.0
95.04948	1.7
95.08589	0.6
97.06474	0.4
98.98456	4.3
103.05441	0.8
105.04522	0.3
105.07021	1.5
107.04926	0.9
107.08549	0.4
109.06573	0.4
111.04454	0.5
115.05407	2.1
117.07011	1.3
119.04942	4.9
119.08591	0.9
128.06203	1.9
129.07001	2.8
131.04913	1.5
131.08563	0.3
133.02841	0.6
133.06528	0.7
135.11671	0.5
141.06966	1.5
142.07797	4.6
143.04919	0.4
143.08540	2.3
145.06465	1.6
145.10133	0.5
147.04411	16.7
151.88638	0.3
152.06166	0.6
153.06960	0.5
154.07648	0.4
155.08571	1.6
156.09341	0.7
157.06531	2.4
157.10135	4.0
159.04393	2.3
163.03893	3.9
165.07034	1.5
166.07794	0.8
167.08560	2.1
169.06526	0.9
169.10133	1.2
170.07257	0.9
171.04404	7.0
171.08125	2.4
171.11664	0.9
172.08826	4.2
173.05975	0.6
173.09589	0.4
175.03908	78.2
176.04294	1.4
179.08536	3.5
180.09283	0.6
181.06575	0.5
181.10115	1.4
182.07275	0.4
183.08076	1.1
183.11652	0.3
184.08818	1.3
185.06021	3.1
185.09608	10.9
186.06776	0.5
187.03917	1.4
187.07570	0.3
189.05437	3.0
189.09065	0.5
193.10179	0.7
194.10873	1.8
195.08066	1.4
196.08882	0.4
197.06009	1.6
197.09637	2.1
198.06720	2.4
199.03906	40.9
199.07602	1.5
199.11176	0.9
199.14799	0.3
200.04434	1.3
201.05479	3.4
201.09088	1.1
207.07912	0.6
209.09615	0.6
209.11598	0.5
209.13332	0.8
211.07574	1.6
211.11197	0.9
212.08319	5.7
212.11922	1.2
213.05493	9.7
213.09114	9.2
213.12651	0.6
214.06178	0.8
217.05052	0.4
221.09702	0.5
222.10397	5.2
223.11194	0.5
225.05559	0.6
225.09108	9.0
226.09792	0.6
227.07031	1.5
227.10672	2.1
227.14238	2.0
237.12756	14.7
238.12981	0.5
239.07014	2.6
239.10690	1.0
240.08005	2.1
240.11441	12.2
253.08682	1.0
255.10182	100.0
255.13791	61.6
256.10159	3.8
256.14096	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91687	0.2
62.12840	0.2
62.20647	0.2
65.03938	0.6
67.05501	0.2
69.07070	0.2
70.79040	0.5
81.07056	1.5
91.05479	9.9
93.07034	0.8
95.27161	0.2
98.98459	0.6
102.81216	0.2
103.05460	0.4
105.07007	0.2
119.04951	4.6
129.06934	0.2
147.04407	17.5
148.04807	0.2
163.03889	0.3
171.04443	0.3
175.03903	100.0
176.04259	1.3
178.93187	0.2
189.05490	0.9
199.03912	0.7
213.05426	0.6
216.06522	0.6
234.63867	0.2
255.10164	13.9
256.10629	0.2
279.13751	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.1
54.42748	0.1
56.08883	0.1
62.91014	0.1
65.03918	0.7
69.07048	0.2
70.07092	0.6
77.00405	0.1
79.05483	0.2
81.07053	1.4
91.05482	11.8
93.07034	0.8
95.04951	0.1
98.21462	0.2
103.05463	0.4
107.04910	0.1
119.04945	5.3
121.02891	0.2
122.86563	0.2
128.73262	0.1
129.06958	0.2
131.04842	0.1
147.04411	21.4
148.04773	0.3
159.04352	0.2
163.03960	0.3
171.04434	0.3
175.03908	100.0
176.04243	1.7
185.06046	0.2
189.05467	0.9
199.03915	0.9
213.05481	0.5
216.06650	0.4
227.07030	0.2
255.10168	10.7
256.10611	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1015
Annotation	2,3-Dimethoxy-7-hydroxy-phenanthrere
Peak:m/z	Relative Intensity
51.02339	0.3
53.03939	0.8
55.01870	0.5
55.05513	1.3
55.82336	0.2
57.07061	0.4
57.25021	0.3
65.03930	0.6
67.05499	1.3
67.83219	0.2
68.84285	0.2
68.99814	0.3
69.03412	0.6
69.07066	2.0
71.52931	0.4
77.03910	0.2
79.05492	2.3
81.07053	4.4
83.04959	0.4
91.05482	9.9
93.07040	7.3
94.07802	0.9
94.75439	0.2
95.04975	1.7
95.08583	0.4
97.06532	0.3
98.98460	3.5
103.05485	0.5
105.04501	0.4
105.07034	1.4
107.04975	1.2
107.08610	0.5
109.06502	0.4
109.10138	0.4
111.04479	0.3
114.83907	0.3
115.05439	2.0
115.14963	0.3
117.06974	0.9
119.04945	4.4
119.08589	1.4
121.10154	0.3
121.34776	0.3
125.05956	0.3
128.06178	1.6
129.06989	2.7
131.04010	0.2
131.04915	1.1
131.08504	0.3
133.02818	0.6
133.06477	0.6
135.11652	0.4
141.06960	1.4
142.07776	3.4
143.04913	0.3
143.08560	2.2
145.06479	1.1
145.10136	0.3
147.04407	15.0
147.07990	0.4
148.04771	0.4
149.13211	0.2
152.06155	0.3
153.06963	0.7
154.07762	0.5
155.08568	1.6
156.09338	1.1
157.06493	2.3
157.10126	3.5
159.04410	1.7
159.08041	0.5
163.03906	4.1
165.06975	1.2
166.07697	0.8
167.08528	1.8
169.06487	1.2
169.10135	0.8
170.07271	0.9
170.10869	0.4
171.04395	6.1
171.08051	2.3
171.11688	0.4
172.05124	0.4
172.08833	3.4
173.02368	0.3
173.05974	0.9
173.09529	0.4
175.03900	72.4
176.04303	1.4
178.07765	0.5
179.08539	3.0
180.09355	0.6
181.06548	0.5
181.10081	0.9
182.07268	0.5
183.08018	1.2
183.11792	0.4
184.05222	0.3
184.08855	1.5
185.05997	2.5
185.09608	10.8
185.11282	0.6
186.06679	0.4
187.03908	1.2
189.05449	3.5
189.09122	0.4
193.10143	0.6
194.10985	1.4
195.07982	1.7
195.11642	0.6
197.06052	1.6
197.07919	0.4
197.09575	2.4
198.06801	2.0
198.10397	0.4
199.03900	37.0
199.07570	1.4
199.11110	1.0
200.04469	1.1
201.05484	2.9
201.09094	0.8
207.08119	0.6
209.09579	1.1
209.11452	0.4
209.13293	0.9
211.07538	1.9
211.11238	0.5
212.08333	5.8
212.11917	1.0
213.05513	8.9
213.09100	9.3
213.12549	0.5
214.06194	0.9
216.06622	0.6
217.04924	0.5
219.11636	0.6
221.09593	0.5
222.10393	4.1
223.11012	0.4
225.05568	0.6
225.09094	8.5
226.06346	0.3
226.09706	0.8
227.06995	0.9
227.10686	1.6
227.14308	2.6
237.09126	0.5
237.12741	13.3
239.07047	3.4
239.10590	1.4
240.07990	2.1
240.11438	11.3
253.08528	0.5
255.10147	100.0
255.13759	67.4
256.10156	3.7
256.14166	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	0.5
69.07049	0.3
69.81767	0.7
69.82175	0.3
81.07057	1.4
86.09295	0.2
91.05482	10.2
93.07045	0.7
93.86128	0.2
95.04990	0.2
98.20914	0.3
99.39613	0.2
103.05453	0.5
110.68150	0.2
116.63412	0.2
119.04944	5.0
121.02881	0.3
139.41423	0.2
147.04413	18.1
159.04341	0.2
171.04337	0.2
175.03908	100.0
176.04233	1.6
189.05481	0.7
199.03915	0.9
213.05508	0.5
216.06526	0.3
227.07001	0.3
255.10172	14.0
256.10437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95343	0.4
55.01875	3.1
56.96303	0.7
56.96568	12.1
57.03441	4.4
61.02922	1.2
65.84583	0.4
69.03431	4.8
70.06591	14.8
70.22589	0.5
71.01344	1.1
71.02948	0.4
71.51303	0.8
71.98936	0.4
73.02922	4.3
78.03439	0.7
80.05009	2.2
81.03390	0.7
84.08156	2.7
84.96030	1.1
85.02903	5.5
87.04440	0.7
96.04468	0.6
97.02895	3.0
98.97586	21.2
99.04457	0.8
100.99162	0.6
101.00908	0.5
103.03938	0.5
106.02921	5.8
109.02877	1.0
110.07174	3.8
110.97576	1.7
111.53646	1.0
112.07568	0.5
115.02466	0.5
115.03933	1.9
116.97828	1.0
116.98624	14.1
119.01904	1.8
123.05555	100.0
124.03950	9.6
124.05889	0.7
127.03912	0.8
128.98582	2.1
130.08615	4.4
131.01900	0.5
133.04984	3.2
134.99680	4.9
138.98993	0.6
140.00201	1.0
143.00124	0.7
144.10208	0.6
145.04964	0.7
146.99648	1.9
153.00763	0.5
153.54732	0.5
154.01773	2.1
156.07780	1.0
158.01228	1.0
158.99629	0.9
160.02827	0.6
161.01257	0.7
161.02946	0.7
162.01729	0.7
162.99182	0.7
165.00706	0.8
168.03450	0.9
170.99721	0.9
172.02835	1.9
173.01331	0.6
173.03018	0.7
174.04575	0.8
174.55200	2.0
177.00726	1.0
177.02226	0.5
183.55775	0.7
186.04370	3.7
188.02313	0.8
189.00635	0.9
190.03891	3.1
190.98718	1.0
196.42249	0.6
204.05435	1.6
206.03333	0.8
208.04930	2.0
208.99707	2.1
214.03883	20.3
215.04271	0.7
219.01776	0.8
227.00714	0.7
228.05458	1.1
232.04929	19.8
237.02922	0.8
246.06371	0.9
250.05965	1.1
255.06593	1.4
255.10379	0.6
255.13718	0.7
279.03830	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83796	0.5
53.03942	1.0
55.01872	3.1
55.05504	2.7
56.31222	0.6
56.96308	1.0
56.96567	18.7
57.03436	7.5
57.07061	1.8
59.04982	1.0
59.80465	0.6
60.95840	1.2
61.02918	2.6
65.03951	0.7
65.04282	0.6
67.05489	0.9
69.03437	6.5
69.07055	2.4
70.06597	3.4
70.33785	0.6
71.01337	0.9
71.04945	1.3
71.52026	0.8
72.08143	1.6
73.02921	5.0
74.97601	0.9
78.03448	1.2
79.05493	1.0
80.05014	1.9
81.03429	1.5
81.07052	2.0
83.04979	0.7
83.06107	1.6
83.08612	1.6
84.08139	4.5
84.96037	1.9
85.02903	8.9
87.04462	1.0
93.07035	1.0
93.32742	0.6
94.66008	0.6
95.08586	1.0
96.04476	1.5
97.02892	4.7
97.06509	1.0
97.10149	1.1
98.97585	8.9
98.98462	7.3
99.04492	0.9
100.02487	1.4
100.99094	0.7
101.00867	1.5
103.03995	0.6
103.57965	0.6
105.03374	2.5
106.02921	6.6
109.02863	0.9
109.10123	1.1
110.07166	14.5
110.97563	1.1
112.07590	0.9
113.02389	0.8
115.02425	4.0
115.03919	2.2
116.98628	6.3
118.03534	0.7
119.01894	5.9
121.10110	0.8
123.05553	100.0
124.02533	1.2
124.03953	23.4
124.05884	1.2
127.03906	2.2
128.98628	2.5
130.08652	4.1
131.00142	0.9
131.01907	1.7
133.03455	3.5
133.04961	2.9
134.99646	3.9
135.11743	0.8
137.02925	1.8
142.03534	4.8
143.00218	1.3
143.01886	2.7
143.41476	0.6
144.10176	1.3
144.99826	1.0
145.03461	2.0
146.99673	2.8
147.01350	0.7
149.03050	0.9
156.07700	3.3
156.97668	0.6
158.99750	0.8
160.04459	1.0
161.01282	1.3
161.02960	5.2
162.99176	1.1
164.98885	0.9
165.54698	1.6
168.03659	1.2
171.01399	1.0
173.01242	0.8
173.02927	0.8
174.04526	1.0
174.55122	1.6
175.00841	0.9
175.03978	2.8
176.99022	0.8
177.00714	1.8
177.02335	0.7
182.03207	0.9
183.55707	0.8
184.04601	1.2
185.02956	1.0
186.04356	1.8
188.97057	0.7
189.00732	1.5
189.02422	1.1
190.98628	1.8
191.02150	0.8
193.00223	0.7
194.03513	0.8
201.00656	0.9
204.05554	0.8
205.01903	0.9
208.99721	4.1
209.14047	1.6
212.04082	1.3
214.03911	3.0
219.01869	0.9
227.00716	0.9
228.05432	1.8
230.98141	0.8
231.10957	0.7
232.01314	1.1
232.04971	1.2
233.01451	3.7
237.13503	0.7
243.05443	0.7
244.05121	1.3
245.05051	1.2
246.06523	1.3
248.99207	1.9
249.99599	3.1
251.02458	9.2
255.06270	1.0
255.10449	1.0
255.14539	2.5
256.03018	10.0
267.00348	1.6
268.00607	2.8
273.09958	1.2
274.04028	6.5
279.04587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78866	0.6
54.74556	0.5
55.01867	2.8
56.80867	0.6
56.96563	19.2
57.03437	5.5
61.02912	2.0
66.35891	0.5
69.03432	5.6
69.69897	0.6
70.06592	25.0
71.01344	0.8
71.04965	1.1
71.51423	0.8
71.51836	0.6
71.95242	0.8
72.08147	1.4
72.96030	1.0
73.02916	4.6
78.03439	0.9
80.05006	2.8
81.03409	1.4
81.07053	0.6
84.08150	4.9
84.96029	2.1
85.02903	7.2
87.04478	0.8
95.06087	0.7
96.04465	0.8
97.02899	4.6
98.97582	35.3
100.99142	1.0
101.00886	0.7
106.02914	5.6
110.07176	7.8
110.97568	2.7
112.99122	0.8
115.03944	1.9
116.07079	1.1
116.98621	22.7
117.71098	0.6
119.00237	0.6
119.01900	2.1
123.05551	100.0
123.53687	0.9
124.00691	0.7
124.03938	6.1
127.03912	1.0
128.98624	2.5
130.01740	0.8
130.08630	5.0
133.04991	3.4
134.99649	9.9
140.00211	1.1
142.01746	1.1
143.00175	1.1
143.01929	1.2
144.10202	2.4
144.98148	1.1
145.03452	0.9
145.05046	0.6
146.99655	2.0
149.01270	0.8
153.00694	0.6
154.01750	2.4
156.07719	2.2
158.99742	1.1
161.01347	0.9
161.02925	1.1
162.99188	1.2
165.00809	1.2
165.20801	0.7
168.01881	0.7
168.03371	0.9
170.95761	1.8
170.99683	0.8
172.02817	4.2
173.01289	0.7
173.02803	0.8
174.04465	0.9
174.55211	3.3
174.97620	0.9
177.00737	1.8
182.03416	0.8
182.99774	0.8
183.55699	1.4
185.02925	0.8
186.04379	5.9
188.02370	1.5
190.03885	6.3
190.98628	2.1
201.00664	1.4
204.05440	2.8
206.03346	1.4
208.04979	3.5
208.99672	4.7
212.96939	0.7
214.03862	38.0
219.01855	1.4
225.03291	0.9
227.00806	0.9
228.05463	0.9
232.04941	33.6
237.02797	1.5
245.05229	1.0
246.06485	1.6
248.99254	0.9
249.99542	0.8
250.06004	1.5
255.03880	0.9
255.06622	2.6
255.14420	1.5
261.02859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.2
51.02378	0.6
53.03711	0.2
53.03947	3.3
55.01863	0.2
55.05513	0.3
55.34375	0.2
58.63144	0.1
67.05515	0.3
69.07066	0.3
69.71399	0.1
71.05002	0.2
71.51906	0.2
77.03906	0.9
79.05502	0.2
81.03418	0.5
81.07059	0.8
82.07367	0.2
90.38617	0.2
91.05487	1.6
93.07070	0.3
95.04369	0.4
95.04975	6.0
95.08591	0.2
98.98470	1.0
105.03396	100.0
106.03732	1.2
107.08578	0.2
108.08947	0.2
109.10168	0.2
119.04943	0.6
120.08167	0.3
121.10120	0.2
133.02869	0.8
133.06459	0.2
135.04414	0.5
139.45616	0.1
146.06038	0.2
147.04414	3.1
155.21632	0.2
157.06609	0.2
161.05957	0.2
171.08104	0.4
175.03918	16.2
182.07098	0.2
189.05582	0.2
210.80588	0.2
211.07315	0.2
211.11115	0.4
212.08044	0.2
213.09132	0.3
213.12784	0.2
226.09232	0.2
254.04947	0.2
254.08986	1.5
254.11908	6.6
254.17583	0.6
255.10158	2.0
255.13838	1.7
273.14963	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	0.1
50.59180	0.1
51.02365	0.6
52.22199	0.1
53.03946	3.5
54.37895	0.1
55.01865	0.2
67.05522	0.2
69.07096	0.1
69.51292	1.0
77.03922	1.0
81.03413	0.5
81.07082	0.2
91.05470	0.3
91.34689	0.1
94.81633	0.1
95.04966	5.8
95.08611	0.2
98.98468	0.6
105.03391	100.0
106.03712	0.8
118.06554	0.2
133.02840	0.4
134.03165	0.2
135.04439	0.4
139.77698	0.1
143.10402	0.1
146.06027	0.3
158.91068	0.1
171.08099	0.1
175.03833	0.1
183.11722	0.1
211.11186	0.4
254.11752	6.7
255.13779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	(-)-1,10-Epoxy-5-hydroperoxy-4(14)-lepidozene
Peak:m/z	Relative Intensity
53.03950	1.3
54.13054	0.6
55.01875	0.9
55.05500	4.8
56.96564	0.8
57.03439	1.5
57.07071	2.5
67.05505	7.5
69.03430	4.6
69.07066	6.6
71.04989	3.5
71.08646	0.9
71.53309	1.2
72.08120	0.7
79.05495	4.4
81.03431	0.9
81.07053	15.1
83.04990	1.5
83.08627	3.3
85.06556	1.9
91.05478	4.4
93.07047	9.4
95.04958	2.5
95.08612	10.2
97.06532	6.8
97.10177	1.5
98.98466	100.0
99.04453	2.1
100.98902	0.9
105.03410	4.4
105.07038	8.0
107.04903	1.0
107.08599	8.6
109.06546	3.6
109.10149	6.8
111.08067	4.2
112.05260	0.8
116.99454	3.4
117.06998	1.5
119.08582	6.3
121.06495	4.0
121.10166	4.3
122.10886	0.7
123.08088	3.7
123.11713	3.3
124.05214	0.8
125.06014	0.9
125.09618	2.5
125.27758	0.7
129.06996	1.4
131.04932	1.0
131.08580	2.4
133.02919	0.7
133.10129	5.5
135.08047	8.7
135.11697	4.2
137.09593	4.0
139.07524	3.0
139.11220	0.9
140.01067	1.5
141.07062	0.9
142.07777	1.0
143.08577	1.3
145.10089	2.7
147.11729	3.6
149.09613	2.7
149.13257	1.8
150.10408	5.5
151.07478	0.7
151.11186	17.1
153.07071	0.8
153.09163	0.8
154.07816	1.6
154.09885	2.2
157.10124	2.6
159.11601	4.7
161.09578	2.6
161.13242	1.9
163.11182	8.9
165.07039	1.4
165.12738	1.9
166.07799	2.0
166.13623	1.1
167.08456	0.9
167.10675	3.4
169.10115	1.7
174.99222	2.0
175.03860	1.3
175.11192	14.1
175.14771	1.9
176.98952	1.9
177.12729	2.7
178.13498	1.2
179.08556	2.3
179.14272	1.6
182.07220	1.4
183.08026	1.0
183.11716	0.7
189.12721	1.3
190.13522	4.1
191.08539	0.7
193.10510	0.9
193.12224	10.2
193.15863	3.6
194.07278	1.1
197.09589	2.0
197.11546	1.0
197.13290	1.2
199.03909	1.7
201.16399	1.9
203.14305	6.3
207.08101	0.9
207.11798	1.0
207.13747	1.4
208.14581	3.4
209.09630	1.2
210.06779	1.2
217.15825	1.2
217.19502	1.2
218.16653	7.3
219.17432	24.5
221.13458	0.9
221.15291	4.6
225.09053	1.2
225.14810	1.7
230.07855	0.8
232.00844	0.7
235.16930	2.5
236.17699	3.1
238.09995	0.9
253.04686	0.9
253.08603	23.2
253.12166	2.7
253.17964	42.7
254.08696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1799
Annotation	Rumphellolide A
Peak:m/z	Relative Intensity
53.00304	1.2
53.03934	2.7
55.01872	10.5
55.05508	8.3
57.03439	5.2
57.07080	4.1
59.04982	1.1
65.03931	1.3
67.05506	37.0
69.03434	8.3
69.06718	1.3
69.07069	11.8
70.06537	0.8
71.04998	4.4
71.08633	1.2
71.52473	1.0
71.52835	0.9
79.05495	23.1
81.03427	5.0
81.07059	42.5
83.04988	5.8
83.08614	3.3
85.06553	4.5
85.10168	0.9
91.05485	23.4
91.64726	0.9
93.07037	17.0
95.04976	4.7
95.08611	16.2
97.06517	6.0
97.10165	2.4
98.98468	100.0
99.04450	2.0
100.98830	1.1
105.07031	23.9
107.04955	1.2
107.08598	23.5
109.02843	1.3
109.06518	4.1
109.10159	36.5
111.08062	1.5
113.06006	2.1
113.09605	1.3
115.03908	1.8
115.07635	0.8
116.99484	3.5
117.06999	2.7
119.08569	5.6
121.00417	1.1
121.09483	0.9
121.10159	10.0
123.04427	1.8
123.08028	2.8
123.11072	0.7
123.11732	6.7
125.09592	1.4
127.03931	13.9
127.07572	1.4
128.06168	1.8
129.06975	1.2
131.08521	3.3
133.02866	1.0
133.06476	1.8
133.10133	34.7
134.84045	0.9
135.07964	0.9
135.11710	8.0
137.09602	1.5
137.13261	0.9
140.01051	1.9
141.05417	3.0
141.06972	1.4
143.08545	3.1
145.10085	3.9
145.11220	0.8
147.04393	0.9
147.11662	2.1
149.06065	1.0
149.13232	1.7
151.11195	17.4
153.05516	1.0
153.09084	1.1
155.08553	2.4
157.06454	1.9
157.10088	1.0
159.11665	3.1
161.09584	2.1
161.13272	1.7
163.11243	1.2
165.06961	2.0
166.07706	1.8
167.08586	1.1
169.08737	0.8
169.10115	2.1
169.12230	3.5
171.11664	2.4
173.13199	1.2
174.99229	2.4
175.03882	1.7
178.07759	1.8
179.08540	2.4
179.10600	1.5
181.06451	1.5
181.10097	1.2
183.08022	1.5
183.11708	2.0
185.05876	0.9
189.12720	1.3
191.08647	1.1
192.09264	1.8
193.10184	1.1
194.07137	1.3
195.08159	4.2
195.11760	1.1
196.08786	3.0
197.09613	3.0
197.11650	2.2
197.13310	1.4
201.16420	1.0
207.11644	3.8
209.09625	10.7
209.12938	1.2
210.10287	4.0
211.07483	1.3
211.11086	1.9
217.12248	0.9
220.08818	1.4
225.09103	1.2
225.12735	8.9
225.14723	1.3
225.22121	1.0
235.11160	3.8
235.13330	2.8
235.16879	1.1
235.20398	1.5
238.09842	1.3
253.08664	17.6
253.12109	8.5
253.14334	66.2
254.08560	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1222
Annotation	6-Hydroxy-7-methoxy-1,2-dimethylphenanthrene
Peak:m/z	Relative Intensity
53.99263	0.9
55.01882	4.0
55.05515	1.7
57.07062	1.1
57.60629	0.7
60.73222	1.1
61.34697	0.9
67.05496	3.8
69.03409	1.8
69.07046	1.0
69.75889	5.6
77.00842	0.8
79.05475	1.0
81.07035	3.5
91.05473	1.2
95.01326	1.0
95.04951	2.1
95.08645	1.9
98.98466	28.8
109.10143	1.6
121.10117	1.0
129.07002	1.6
131.08536	1.1
133.10118	1.5
141.06978	2.9
141.81558	0.8
143.08578	2.5
152.06133	2.2
153.07040	5.1
153.44621	0.8
154.07750	2.9
155.08554	9.2
157.06461	0.9
157.10143	1.4
158.07303	2.0
165.06969	11.9
166.07758	6.8
167.08572	9.6
168.05685	1.4
168.09328	5.4
169.06494	3.3
169.10138	7.6
171.08063	5.2
177.06960	1.6
178.07745	7.0
179.08565	15.4
180.09346	2.1
181.06496	16.6
181.10094	6.9
182.07256	4.7
182.10942	6.1
183.08044	13.4
183.11635	4.6
185.09705	1.2
189.07037	0.9
190.06122	0.9
190.07802	3.1
191.08521	7.8
192.09334	22.5
193.10143	10.7
194.07239	9.3
194.10880	3.0
195.08043	43.4
195.11725	4.3
196.08852	30.9
197.09599	12.6
197.13225	12.4
202.07822	2.5
203.08630	1.4
205.06482	7.0
207.08040	5.6
207.11691	33.3
208.08858	6.6
208.12123	1.4
209.09615	100.0
210.10384	40.0
211.07579	11.1
211.11140	15.0
217.10094	2.6
219.07983	4.7
220.08838	25.5
222.10320	1.3
223.07541	2.5
223.11145	4.1
224.08289	4.5
224.11842	1.8
225.09109	3.0
225.12738	75.3
226.13066	3.1
235.07690	6.8
235.11172	52.3
235.14760	2.0
236.11545	1.6
238.06253	0.9
238.09918	8.8
238.13519	0.9
253.08533	9.1
253.12239	91.0
253.15685	6.1
254.12512	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1434
Annotation	Frequentin
Peak:m/z	Relative Intensity
53.03942	2.2
55.01637	0.7
55.01873	9.5
55.05518	7.7
57.03439	4.3
57.07076	5.0
58.50147	0.7
59.05022	0.8
59.73681	0.9
63.41900	0.7
65.03932	1.5
67.05506	38.1
69.03429	3.8
69.07072	10.7
69.82198	1.8
69.82606	2.7
71.04994	5.6
71.08626	1.1
79.05067	1.5
79.05495	19.6
81.03413	4.8
81.07054	39.3
83.04976	6.2
83.08592	4.7
83.59418	0.7
85.02879	0.8
85.06548	5.8
90.70200	0.8
91.05487	27.7
93.07049	13.6
95.04511	0.6
95.04995	6.1
95.08608	16.4
97.02895	1.6
97.06529	4.3
97.10188	1.4
98.21429	0.9
98.98466	100.0
99.04467	2.7
99.08111	1.0
100.98847	1.3
103.05513	0.8
105.07028	23.1
106.07408	0.8
107.04958	1.7
107.08585	18.8
109.02866	1.9
109.06516	5.5
109.10158	38.7
111.04440	1.0
111.08096	1.9
113.06001	2.2
115.03913	1.1
116.99516	4.9
117.07024	2.1
119.08576	4.9
121.10153	6.4
123.08051	1.9
123.11707	7.3
124.35563	0.7
125.09620	1.8
127.03934	9.0
127.07574	1.5
128.06232	0.9
129.06999	0.8
131.08528	2.6
133.06534	1.1
133.10129	38.3
134.10477	1.0
135.11711	4.0
137.09575	1.7
137.13292	1.3
140.01079	3.0
141.05467	1.9
143.08530	1.3
145.10126	2.3
147.11678	1.9
149.13255	1.7
151.11186	22.1
155.08508	1.6
157.10129	1.5
159.11627	1.6
161.09593	2.1
165.07022	1.7
166.07770	1.2
167.08617	1.5
169.10144	1.3
169.12213	4.2
171.11707	0.9
174.99213	1.7
175.03928	0.9
176.98981	1.2
178.07785	1.0
179.08525	2.2
179.10658	2.0
181.06467	1.8
181.10133	1.1
182.10846	1.0
183.08052	2.1
183.11678	1.4
189.12811	0.9
191.08640	0.8
192.09355	1.0
193.10172	2.4
195.08012	4.9
195.11720	0.8
196.08838	2.4
197.09656	2.1
197.11682	2.5
197.13313	1.6
201.16429	1.0
207.11705	2.7
209.09622	8.9
210.06723	1.5
210.10350	2.8
211.07561	1.8
211.11180	1.5
215.12756	1.1
217.19482	0.9
220.08791	1.8
225.12766	9.2
235.11253	4.1
235.13144	1.3
235.17015	0.9
238.09904	0.9
253.08691	14.0
253.12167	7.8
253.14352	80.8
254.08633	0.9
254.14757	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1184
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
53.66336	0.4
55.05515	1.5
56.05036	0.7
56.96569	0.5
57.03435	0.5
57.07076	1.6
58.06594	1.1
58.73977	0.5
60.04524	62.2
67.05515	2.7
69.03419	1.5
69.07067	2.9
70.02953	1.3
70.06587	3.1
71.04996	0.9
71.08636	0.6
72.08145	2.0
79.05486	1.6
81.03420	0.9
81.04534	1.3
81.07049	3.6
82.20792	0.4
83.04991	0.7
83.08614	1.4
84.04507	1.0
84.08137	3.2
85.02901	0.7
85.06550	0.8
85.67764	0.4
86.09705	1.5
86.69246	0.5
87.05583	2.5
91.05486	1.4
93.07066	2.2
95.04960	2.0
95.08603	2.8
97.02879	0.6
97.06524	0.9
97.10158	0.7
98.98463	74.4
100.98911	0.6
103.05463	3.3
105.07021	1.1
107.04947	2.0
107.08578	0.8
109.02857	1.0
109.06525	0.9
109.10165	1.6
110.06017	0.7
110.07165	1.9
111.08112	0.5
116.07107	0.5
116.98720	0.7
116.99500	3.2
117.07021	0.5
119.04926	0.9
119.08574	1.1
120.08100	100.0
121.02895	0.6
121.08472	1.1
122.07171	1.4
123.04409	1.9
123.11722	0.9
123.98058	0.5
124.03891	0.5
124.08698	1.1
127.03902	0.6
129.10240	1.2
131.04938	2.9
132.04453	0.5
132.08093	0.8
133.06461	0.5
136.07555	1.3
137.05978	0.6
137.13324	0.5
140.00954	0.6
141.05437	1.3
144.08015	2.4
146.06007	0.9
147.11670	0.6
149.05977	3.1
151.03889	1.9
151.11093	0.6
162.09157	3.0
166.08636	64.2
167.09013	0.8
174.99185	1.5
176.98929	2.0
177.00496	0.5
179.10649	0.5
189.05524	0.6
190.03088	0.5
194.57056	0.5
197.11713	2.0
207.01619	0.6
207.06573	0.6
207.11273	14.8
225.17090	1.2
235.10788	4.1
235.17102	0.5
253.11829	10.8
253.16129	2.4
271.12094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	0.4
53.03949	2.1
53.04179	0.3
55.01836	0.6
55.02087	0.2
55.05485	0.3
56.35463	0.2
57.29504	0.2
61.01115	0.6
67.05487	0.4
69.03404	0.2
69.07025	0.4
69.32777	0.3
69.33190	1.4
72.04508	1.5
73.02917	0.2
77.03922	1.1
78.03759	0.5
79.05466	0.5
80.01025	0.1
81.03377	0.5
81.07032	0.7
83.08580	0.2
86.06061	0.3
91.05472	0.5
93.07016	0.2
95.04974	4.3
95.08587	0.6
97.10168	0.2
98.98471	4.9
102.03756	1.3
104.04961	0.2
105.03394	100.0
106.03730	1.4
107.08569	0.2
109.06525	0.2
109.10146	0.4
114.03754	3.1
115.02142	0.4
115.05449	0.2
119.08601	0.3
121.10172	0.2
122.06024	1.6
123.11671	0.3
132.04788	2.5
133.02866	0.6
133.10149	0.4
134.06015	7.5
136.40300	0.2
141.06976	0.3
147.04358	0.2
147.71570	0.2
148.07608	0.2
152.07140	0.2
153.07091	0.2
154.07837	0.4
155.08629	0.4
165.03725	1.7
165.07100	0.4
166.07851	0.2
167.29356	0.2
169.09976	0.2
175.03914	0.3
176.07077	33.3
177.07536	0.7
178.07845	0.3
179.08672	0.5
181.06612	0.2
182.06238	1.0
195.08064	0.2
196.08946	0.2
197.09668	0.3
210.06856	0.2
210.10588	0.3
211.07681	0.4
224.07571	0.2
225.09230	0.5
235.09222	0.3
235.17096	0.3
236.07576	0.3
253.10341	8.2
253.12531	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	252.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
53.28188	0.2
55.05517	0.7
56.54088	0.2
57.03447	0.3
60.60007	0.2
62.59244	0.2
65.65607	0.2
66.38772	0.2
70.06602	0.3
70.84141	0.6
72.08162	0.4
73.47073	0.2
74.02448	0.8
79.05486	2.3
81.07062	3.0
84.08147	0.5
88.03979	1.1
91.05488	3.2
93.07029	0.2
94.04063	1.0
98.98470	4.3
103.05450	0.4
104.03474	3.0
105.03387	0.7
106.06561	1.6
107.04960	5.6
116.03462	0.3
118.06575	0.2
119.03555	2.0
120.08107	1.3
131.04926	1.3
134.04471	1.4
136.06192	100.0
137.04578	1.6
137.06551	0.5
146.06009	0.3
149.06001	0.4
192.06531	1.4
195.30472	0.3
206.08115	0.8
234.13518	14.8
235.13783	0.2
252.14566	50.0
253.14757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0816
Annotation	5-Hydroxy-N-formylkynurenine
Peak:m/z	Relative Intensity
55.05498	2.4
56.05033	0.9
56.70943	0.7
57.07065	3.3
58.06592	1.2
60.04508	0.8
65.03928	1.3
67.05495	4.4
69.03413	2.1
69.07053	2.6
69.88379	0.6
70.06584	3.0
71.04996	2.1
71.08586	0.8
71.27760	1.8
72.08153	1.3
74.02439	5.2
75.66425	0.7
79.05485	3.0
80.04993	0.8
80.34253	0.7
81.03432	1.2
81.07058	5.7
83.05019	0.9
83.08594	1.4
84.08147	3.7
86.09678	1.7
88.03985	1.5
91.05482	2.2
92.05015	0.9
93.07048	1.0
94.06553	1.6
95.04960	2.9
95.08598	5.6
96.04488	1.5
97.02876	1.6
97.06522	1.1
97.10169	1.1
98.98463	100.0
99.08059	1.1
100.98857	1.1
105.03379	1.0
105.07008	1.9
106.06535	3.4
107.04967	1.1
107.08614	1.1
107.73592	0.7
108.04466	1.5
109.02931	1.4
109.06494	1.3
109.10148	2.4
110.06029	9.3
110.07142	1.5
116.04987	1.9
116.99496	3.8
118.06522	4.4
119.04933	1.2
120.04478	2.3
120.08128	2.1
121.02882	1.1
121.06493	0.8
121.10184	0.6
122.06028	1.0
123.04399	1.0
123.11619	0.9
124.07568	1.3
125.09653	0.7
126.05485	1.9
129.10251	1.1
129.32335	0.7
132.04489	1.0
133.05186	1.6
133.06558	0.7
133.07642	2.1
133.10143	1.0
134.06009	25.7
135.05490	0.8
135.06882	0.7
135.07980	0.7
136.03963	2.1
136.07594	1.4
137.06070	0.7
138.05557	1.0
140.01106	0.9
141.05469	1.6
144.04460	2.7
145.07642	1.2
146.06004	37.3
147.05478	0.9
147.06691	1.2
148.03947	1.7
149.04707	1.5
149.07199	0.8
150.05510	3.2
151.03891	2.9
152.07080	2.9
158.05997	1.0
158.96410	0.8
161.04716	1.5
161.07042	4.9
162.05496	56.1
163.06259	1.7
163.08656	1.1
164.03429	13.0
164.07030	0.8
166.04887	0.8
171.05548	1.7
172.03961	2.1
173.07111	4.3
174.05455	1.6
174.07944	0.9
174.99266	2.2
175.08649	1.8
176.98943	1.3
178.04990	0.8
179.05377	0.7
179.08246	2.0
180.06558	2.7
182.08176	0.8
189.05176	1.3
189.06760	5.4
190.04967	10.2
190.07413	0.9
191.08192	2.2
197.11777	2.3
203.05786	2.1
207.07695	23.5
208.06078	1.9
218.04503	1.6
219.07652	3.3
220.08427	6.7
225.08798	1.7
235.07164	4.5
235.20653	0.9
236.05600	2.7
236.07971	4.1
249.64680	0.7
253.08272	14.8
253.11095	1.0
253.16116	0.8
253.25319	1.1
271.12146	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83438	0.4
69.25350	2.3
69.25776	2.5
70.02967	0.4
87.00822	2.1
91.05497	0.9
93.07042	1.1
98.62041	0.4
98.98470	1.0
103.05463	5.6
106.83439	0.5
107.04974	1.0
118.06541	8.0
120.08104	100.0
121.08448	0.9
128.04938	1.1
136.06175	6.5
145.06427	0.6
146.06006	18.4
148.07545	1.7
149.05933	0.5
155.27205	0.5
166.08624	2.4
175.04054	0.4
188.07065	21.4
192.06532	1.7
206.08121	67.1
207.06512	1.3
207.08438	1.0
216.06357	0.8
229.04807	0.4
234.07594	1.2
234.13490	1.5
251.28090	0.5
252.14474	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	252.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88833	0.8
54.17357	0.8
58.52894	0.9
69.73981	4.4
69.74382	1.7
72.21700	0.8
74.90421	0.9
79.05491	13.7
81.10181	0.8
83.39542	0.8
87.00813	2.9
89.56516	0.9
91.05450	1.1
93.07049	1.4
98.98474	1.7
103.05463	11.2
103.26228	0.8
104.03463	30.4
106.06555	13.6
107.04955	50.5
114.85396	1.0
118.06537	8.9
120.08100	100.0
122.02981	1.0
128.04968	1.8
131.04927	16.0
132.04362	1.1
136.06181	19.6
146.06015	18.2
149.06013	5.6
153.60150	0.9
166.08630	2.1
188.07057	21.1
192.06557	18.2
206.08122	75.9
207.06363	1.8
216.06561	0.9
234.07536	2.4
234.13483	3.1
252.14565	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	252.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17763	0.6
58.28450	0.7
59.77428	0.6
70.18491	0.6
70.69337	1.3
72.81888	0.6
77.85852	0.7
78.45727	0.7
79.05492	10.8
81.07065	2.0
86.02405	0.6
87.00366	0.6
87.00829	4.0
93.07039	1.1
94.04061	1.0
97.82623	0.6
98.98455	2.8
102.43732	0.6
103.05460	9.9
104.03462	18.6
104.17591	0.7
106.06547	10.3
106.18481	0.6
107.04951	36.0
118.06537	11.1
119.03551	1.0
119.04905	1.0
120.08102	100.0
121.08457	1.0
128.04964	1.5
131.04916	11.7
132.04443	1.4
136.06180	64.4
137.04605	1.3
146.05998	18.5
149.05974	2.9
166.08588	2.2
170.31786	0.6
175.03877	1.3
188.07066	17.5
192.06531	10.1
206.08125	54.7
207.06447	1.7
234.07497	1.4
234.13486	9.7
252.08867	1.1
252.14561	28.9
265.63220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.114
Annotation	Aristeromycin M
Peak:m/z	Relative Intensity
56.96546	1.3
57.92897	0.6
60.07217	0.6
63.60864	0.6
69.83074	3.4
69.83418	1.1
70.06593	59.5
71.56179	0.7
72.08150	1.3
74.66782	0.7
81.04538	11.4
82.05313	0.6
93.04531	1.5
97.04007	1.7
97.07628	2.3
97.24061	0.6
98.20854	1.4
98.52178	0.7
98.97567	1.0
98.98499	0.8
108.05601	42.9
110.07153	2.6
114.05521	2.1
115.78756	0.6
116.98620	0.9
120.05587	10.8
125.07110	8.2
136.05058	43.8
137.07106	1.4
150.10248	2.8
154.06122	0.7
160.08708	8.4
160.92532	0.8
161.04622	0.9
164.04533	1.5
170.05148	1.1
177.11348	31.0
177.12917	1.5
178.11783	0.9
188.08218	0.8
189.11357	1.2
205.10855	42.2
215.09166	1.4
233.10333	100.0
234.10678	1.8
251.11401	29.7
271.09726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1754
Annotation	Camoensidine N-oxide
Peak:m/z	Relative Intensity
50.38219	0.2
51.02365	0.3
53.03942	0.6
55.05501	1.1
56.05041	0.3
57.03437	0.3
59.05004	0.2
59.81546	0.2
60.04504	0.3
67.05496	0.9
69.03432	0.4
69.07065	0.9
70.06583	2.8
71.04980	0.3
71.50967	0.3
71.51311	0.5
72.08152	4.4
73.06544	0.3
73.08495	0.6
74.77298	0.2
77.03938	0.8
79.05479	0.9
81.03423	0.4
81.07043	0.8
83.04953	0.3
84.04488	0.9
84.08144	2.6
85.02923	0.3
85.06541	0.3
86.09706	3.5
89.10790	0.5
91.05490	1.2
93.07034	1.0
95.04954	1.3
95.08607	0.7
97.02863	0.6
97.06504	0.7
98.98462	27.4
99.04443	0.4
99.05575	0.3
100.03277	0.2
105.03386	89.2
105.07033	0.8
106.03722	2.3
107.04957	0.7
107.08578	1.3
109.02893	0.4
109.06545	0.3
109.10154	0.4
110.07156	0.7
112.11240	0.3
115.46797	0.2
116.07156	0.5
116.99494	0.9
117.03368	0.3
117.07006	0.4
118.06567	0.3
119.08565	0.5
120.08096	0.9
121.06464	0.3
121.10150	0.6
122.05943	0.3
123.08141	0.4
125.09656	0.3
129.10246	1.4
130.12253	0.7
131.04953	0.3
131.08525	0.3
134.04990	0.5
134.06006	6.9
135.04396	0.9
135.08037	0.6
135.11716	0.4
136.06171	6.8
136.07275	0.4
136.07660	0.3
137.06635	4.2
137.09570	0.3
138.05508	0.3
145.02834	0.6
145.06535	0.7
145.10120	0.5
147.04366	1.0
147.05435	0.5
147.11694	0.3
149.05995	0.3
151.03900	0.8
152.07184	0.3
161.06027	0.3
162.09132	100.0
163.03896	3.4
163.09528	3.2
163.10873	0.5
165.09058	0.3
167.07106	0.3
169.09814	0.3
173.05989	0.3
174.99240	1.1
176.10707	0.7
177.05539	0.3
179.11734	0.3
180.12256	0.3
187.14487	0.4
194.42290	0.3
205.08519	0.4
206.08003	0.3
220.11974	0.4
233.16364	0.8
234.11244	0.3
234.14850	1.0
234.16798	0.9
251.13562	11.4
251.17522	54.0
252.14476	0.7
252.17731	1.3
265.97864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	0.5
59.19310	0.5
59.48228	0.5
69.71549	2.0
69.71960	1.3
70.06592	0.7
72.08152	99.9
73.08501	1.1
75.40329	0.6
77.03940	0.8
84.08158	1.1
98.98457	4.0
101.89220	0.6
105.03386	65.6
112.11214	1.4
134.06024	6.0
136.06165	1.4
162.09134	100.0
163.09511	1.6
176.10666	0.9
179.11778	12.5
202.62578	0.6
218.20987	0.5
233.16470	30.8
234.16844	0.9
250.19142	42.8
251.19273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37010	0.5
56.96466	3.1
56.96770	1.0
60.95781	0.9
61.02855	0.9
61.19534	0.5
65.64295	0.5
69.03347	1.4
70.06483	46.1
70.07117	1.8
70.18369	2.0
70.18744	0.8
72.08042	9.3
72.08484	1.4
73.02824	0.8
81.04427	9.1
81.04938	0.8
82.05274	0.8
84.08060	1.4
85.02782	1.9
85.07571	0.8
86.09630	0.7
93.04448	1.2
95.06009	0.9
97.02769	2.0
97.03902	1.0
97.07529	2.1
98.97468	6.4
98.98341	1.6
100.02376	1.1
108.05598	43.8
108.06295	2.2
109.03877	1.3
109.07533	1.3
110.07172	2.6
110.07738	0.7
110.97530	0.8
114.05410	2.0
116.98489	2.0
116.99245	0.5
119.01759	1.0
120.05589	9.1
121.02800	0.6
125.07121	7.6
125.07977	0.5
127.03778	0.7
128.98535	0.9
131.00064	0.9
133.01561	0.6
133.03362	0.6
133.07498	0.9
134.99568	0.9
136.05060	38.5
137.07057	1.1
138.52904	0.7
143.00021	0.5
146.99554	0.9
148.60512	0.6
150.10168	1.6
154.06024	1.1
158.99660	0.6
160.08710	7.9
161.01248	0.5
161.05557	1.2
164.04507	1.5
166.98325	0.9
167.54402	0.5
170.05089	2.1
172.99220	0.8
177.00626	0.9
177.11343	32.4
188.08163	0.9
189.11293	1.7
196.00871	2.1
198.11208	2.0
205.10846	44.2
206.09157	0.6
208.99588	0.8
209.03320	1.6
215.09319	0.8
215.13930	1.1
216.12254	1.5
219.01677	0.6
233.10335	100.0
234.10622	2.4
234.13315	0.7
237.02736	0.6
251.04411	1.3
251.11424	30.4
251.16035	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	250.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
55.05509	0.5
60.30941	0.3
68.92474	0.3
69.03427	0.7
69.07068	3.6
70.06577	0.6
70.76485	0.9
72.08154	9.1
73.06551	0.8
78.00296	0.3
79.05498	1.9
80.05051	0.3
81.03414	0.8
84.04497	1.0
84.08154	0.7
86.09708	0.5
88.62521	0.3
94.04016	0.8
95.04982	0.3
97.06521	2.7
98.98467	8.0
105.02726	0.6
105.03394	7.9
112.11218	0.5
119.03544	1.2
134.05969	0.7
135.04379	0.4
136.06183	98.8
137.04575	1.0
137.06615	0.6
144.05334	0.4
147.04404	0.5
148.07568	0.3
162.09135	9.0
163.09383	0.4
174.07785	1.1
176.10701	0.5
179.11778	1.8
192.36774	0.4
195.09518	0.5
204.07388	1.0
232.09677	0.5
233.16502	3.1
250.12994	100.0
250.18697	4.2
251.13280	2.0
264.25800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Pyriculol
Peak:m/z	Relative Intensity
53.03943	0.7
53.52503	0.4
55.01872	1.4
57.07060	0.6
66.11366	0.3
67.05504	1.5
69.72801	1.7
69.73212	0.9
71.04998	0.4
73.06540	0.8
79.05495	4.0
81.07011	0.4
85.06535	3.5
89.60236	0.3
91.05484	2.3
95.04968	0.9
103.05468	0.7
105.07014	1.1
107.04968	2.5
108.71126	0.4
119.04948	0.5
119.08567	0.6
119.46277	0.4
121.06510	0.6
121.11411	0.4
123.04423	10.0
128.06189	1.4
131.04950	0.5
133.06505	0.5
133.10112	0.7
135.04413	100.0
136.04761	0.9
137.05998	0.5
143.08577	1.0
147.04410	6.9
147.06943	0.6
147.08054	8.0
149.04791	0.7
149.05978	13.4
161.06009	0.4
161.09622	3.4
163.07523	1.2
165.05469	3.1
171.08017	3.0
175.03798	0.5
176.04242	0.9
177.05475	62.1
178.05858	0.7
187.93448	0.4
189.05562	2.3
189.09108	24.5
203.06938	0.9
207.10161	73.6
208.10463	1.0
221.11740	0.8
231.10210	2.4
249.11255	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	249.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02140	0.2
53.03944	0.6
55.01874	1.9
57.03439	0.3
57.07071	0.8
62.83951	0.2
65.03921	0.3
67.05511	2.1
67.46214	0.2
69.70135	1.5
71.04990	0.6
73.06544	0.6
77.03947	0.6
79.05496	3.9
81.03403	0.2
81.07067	0.6
85.06544	3.9
87.31789	0.2
90.11329	0.2
91.05477	2.0
95.04982	0.6
97.06480	0.2
103.05456	0.6
105.07027	1.4
107.04958	3.6
107.23835	0.2
109.02863	0.3
112.34780	0.2
117.07069	0.3
119.04952	0.9
119.08579	0.9
121.06499	0.8
123.04424	9.9
126.24991	0.2
128.06189	0.5
129.07063	0.2
133.06474	0.7
133.10068	0.4
135.04410	100.0
136.04747	1.6
137.05971	1.0
143.08585	1.2
145.06490	0.3
146.07280	0.4
147.04411	7.5
147.08043	9.6
147.35202	0.2
149.05978	12.4
153.05534	0.3
161.05913	0.5
161.09618	3.7
163.07524	1.2
165.05475	3.5
171.08025	3.0
174.06805	0.4
176.06953	0.3
177.05467	71.2
178.05809	0.7
189.05537	2.1
189.09102	26.9
190.09349	0.3
200.06235	0.3
203.06972	0.7
205.08580	0.6
207.10159	91.0
208.10461	1.3
221.11751	1.1
231.10155	3.4
249.11215	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1119
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03931	0.6
55.01864	1.9
55.05490	0.9
57.03429	1.3
59.04996	0.4
62.50340	0.3
65.03930	0.6
67.05509	1.6
69.03428	4.9
69.07063	0.8
69.50733	2.6
70.06587	0.6
71.04964	0.6
72.08144	0.8
73.02912	0.5
79.05068	0.3
79.05473	1.7
81.03423	5.2
81.05726	0.3
81.07041	2.0
83.04987	0.6
83.08598	0.5
84.08156	1.7
85.02905	5.1
85.06528	0.4
85.21056	0.3
86.09704	0.8
87.00813	1.3
91.05475	7.9
93.07040	1.6
95.04960	1.8
95.08609	1.9
97.02877	3.1
97.06521	0.6
98.21500	0.6
99.04462	1.6
103.05456	1.4
105.01863	0.8
105.03386	6.6
105.07039	3.9
107.04939	2.0
107.08579	1.3
109.02867	3.0
109.06541	0.6
109.10125	1.1
111.04455	0.4
115.04697	0.5
115.05453	4.9
116.06239	3.5
116.98592	0.4
117.07018	3.6
118.07730	0.3
119.04935	0.8
119.08566	1.6
120.08078	0.9
121.06471	1.0
121.10120	0.9
123.04401	0.7
123.08100	0.5
127.03912	2.7
127.05429	0.5
128.06230	8.7
129.07007	19.6
130.07768	1.1
131.04916	1.9
131.08568	16.2
132.05653	1.3
133.02846	0.5
133.06511	3.8
133.10139	3.0
133.23094	0.3
134.06010	0.4
135.04402	1.1
135.11671	0.5
137.02319	1.4
137.09599	0.5
141.06978	8.7
142.07780	4.2
143.04898	1.2
143.08560	3.5
144.05695	8.4
145.04958	0.4
145.05330	0.5
145.06496	5.9
145.10121	1.0
146.03584	0.4
146.07254	2.8
147.04362	1.7
147.08041	1.2
147.11652	0.9
149.02342	1.3
149.05974	1.4
151.03903	1.4
152.06197	1.2
153.05768	0.4
153.06952	2.4
155.04912	0.5
155.06058	1.4
156.05661	1.7
157.06479	9.9
157.10123	0.7
158.07253	2.5
159.04419	0.9
159.08057	25.5
159.11668	0.6
160.05153	1.4
160.08748	0.4
161.05980	4.4
161.09607	6.7
162.09109	0.6
167.03404	2.9
167.04810	0.5
167.07066	0.5
169.06418	1.0
169.07625	2.6
170.07269	7.9
171.04442	1.3
171.08055	6.5
172.05205	3.0
173.05986	4.1
173.09456	0.5
174.06758	2.9
175.03973	0.5
175.07544	2.8
175.11099	0.6
176.10670	0.6
177.05449	1.1
178.06230	0.9
184.05214	0.7
185.05992	0.8
185.09711	0.4
185.13232	0.5
186.06728	0.7
187.07542	17.0
188.08266	1.2
189.03889	0.5
189.05507	4.4
189.07181	0.6
189.09094	10.5
190.06281	1.0
191.07018	1.2
193.08574	1.3
198.06773	1.9
199.07513	2.7
200.08080	0.4
201.05432	2.1
203.05321	0.5
203.07051	6.3
203.10649	0.9
204.07829	13.0
205.08530	2.1
205.13326	1.8
206.09317	1.1
207.06465	0.5
207.10170	0.6
210.99159	0.9
213.16292	0.5
216.07825	2.9
217.05063	0.5
217.08617	1.1
218.09361	0.9
219.10181	1.9
221.08095	1.0
221.11627	2.1
221.52472	0.4
231.10185	8.6
231.13812	1.2
231.17477	0.6
232.10555	0.4
234.08836	0.9
249.11217	100.0
249.18115	1.7
250.11545	2.0
250.19170	0.6
256.62289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0758
Annotation	(-)-2,3-Dihydrocitromycin
Peak:m/z	Relative Intensity
50.01598	0.7
51.02382	1.1
53.03946	12.8
55.01871	0.6
55.05526	0.5
57.03434	0.7
65.46539	0.3
67.05492	0.6
69.03432	14.6
69.07059	0.3
69.23212	2.8
71.04998	2.1
77.03928	1.2
79.05498	5.2
81.03418	78.5
81.07049	0.6
82.03762	0.5
85.02905	2.3
85.03354	0.4
87.00829	0.8
91.05484	1.1
93.07018	0.4
95.04968	8.6
95.08583	0.5
97.02892	10.2
97.03529	0.7
99.04456	4.6
100.30731	0.3
102.47570	0.3
105.03392	100.0
105.07007	0.8
106.03714	0.9
107.08600	0.7
107.99294	0.3
109.02882	32.7
115.05460	0.4
117.07034	0.5
119.08572	0.9
121.10072	0.4
123.04429	5.7
127.03925	4.3
129.07037	0.9
131.08585	1.0
133.10112	0.6
135.04379	0.6
141.06993	0.4
143.08537	0.4
144.05717	0.4
145.06488	0.4
147.04399	0.5
147.08081	0.5
147.11664	0.4
149.02359	0.6
151.03943	0.4
157.06433	0.5
159.08040	1.5
161.05963	0.5
161.09665	0.7
163.08687	1.1
167.03412	0.9
170.07210	0.4
173.05939	0.4
175.07623	0.4
175.11099	0.3
177.05666	0.4
187.07526	0.9
189.05437	0.8
189.09094	1.2
203.07095	0.4
204.07892	0.4
207.06662	0.6
231.06512	0.4
231.10162	0.7
231.17374	0.4
249.07594	32.2
249.11229	4.6
249.14647	0.7
249.18471	0.5
249.20639	0.6
250.07881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	20.9
55.01872	15.8
55.05505	7.3
57.03438	14.0
61.02927	5.1
67.05517	8.2
68.99804	4.4
69.03430	95.2
69.07059	5.7
71.04997	13.6
71.52296	2.4
72.08146	4.5
73.02921	6.6
79.05484	13.6
79.37456	2.3
81.03421	100.0
81.07050	11.2
81.26358	2.0
82.03678	2.0
83.04990	3.0
83.08665	2.3
84.08152	4.2
85.02907	80.7
85.06541	3.3
87.00835	38.2
91.05479	13.5
93.03382	2.3
93.07045	13.9
95.04990	15.7
95.08607	11.6
95.09124	2.1
95.79154	1.9
97.02898	50.9
99.04459	26.1
101.02396	2.1
103.05477	3.0
105.01913	16.3
105.03391	88.1
105.07037	14.0
107.04979	4.0
107.08591	7.2
108.52732	1.9
109.02879	55.1
109.06539	3.8
109.10138	4.5
111.04468	2.7
111.08086	4.0
115.05455	9.3
116.06258	2.3
117.07033	8.6
117.91310	2.2
118.07875	1.8
119.08598	8.1
120.08161	2.6
121.02854	4.2
121.06493	2.9
121.10149	6.1
123.04438	6.8
123.08061	2.9
127.03916	50.8
128.06250	4.8
129.07033	11.6
129.34106	2.1
131.08549	12.7
133.02867	3.2
133.06512	4.3
133.10149	9.1
135.04419	7.1
135.08057	4.7
135.11665	3.5
137.09633	2.6
141.07018	6.5
142.07780	3.3
143.04939	2.8
143.08566	7.2
144.05702	4.8
145.04971	7.4
145.06483	7.8
145.10158	7.9
146.07275	2.1
147.04437	6.0
147.08058	3.5
147.11703	5.8
149.02374	6.4
149.06007	2.7
149.09644	4.0
151.03902	5.2
151.07523	4.0
151.11197	2.2
157.06514	6.5
157.10104	4.0
158.07236	2.7
159.08090	14.8
159.11707	6.6
161.06003	5.3
161.09612	8.2
161.13309	3.4
167.03430	8.6
170.07272	2.8
171.08061	5.4
171.11633	3.8
173.05917	3.2
175.03951	3.4
175.07559	6.1
175.11174	3.1
185.13278	6.1
187.07552	8.5
188.07076	5.1
189.05476	7.3
189.09148	14.0
189.16354	4.7
203.07106	7.2
203.14267	3.1
204.07838	5.7
205.13550	2.6
207.06584	3.3
213.12752	3.2
217.05025	2.4
231.04935	4.9
231.10269	12.1
231.13788	9.0
231.17378	3.7
249.07608	29.1
249.11253	59.1
249.14732	13.0
249.18454	9.3
249.20523	9.7
250.19336	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.4
51.02377	1.0
53.03946	10.1
55.01870	2.3
55.05508	0.6
56.96582	0.5
57.03432	1.7
61.02929	0.8
67.05511	1.0
69.03430	23.7
69.07063	0.7
70.06588	2.2
71.01360	0.3
71.04992	2.9
71.52602	0.6
72.08138	1.9
73.02916	0.9
77.03945	1.0
78.03474	0.4
79.05495	4.3
81.03416	73.4
81.07057	1.0
81.12193	0.3
81.53417	0.4
83.04993	0.4
84.08146	1.2
85.02372	0.6
85.02901	10.1
85.06520	0.4
86.09716	1.6
87.00836	3.9
91.05477	2.9
93.07051	0.9
95.04967	8.7
95.08617	0.9
97.02892	12.3
98.97557	2.1
99.04462	6.0
103.05493	0.5
105.01958	2.7
105.03388	100.0
105.07021	1.8
106.02925	1.6
106.03722	1.1
107.04955	2.1
107.08612	0.7
109.02878	29.2
109.06523	0.5
109.10119	0.6
110.07159	1.3
115.05450	1.1
115.08662	0.5
116.06264	0.5
116.07072	0.5
116.98633	1.0
117.06999	1.1
119.04928	0.5
119.08562	0.9
120.08101	1.0
121.10162	0.8
123.04414	4.4
124.03937	2.1
127.03920	10.4
128.06221	1.7
129.07014	3.2
129.10210	0.8
130.06593	0.4
131.04922	0.7
131.08568	3.0
133.05276	0.6
133.06490	1.0
133.10132	0.7
134.06035	0.7
135.04408	1.6
135.08083	0.5
136.06239	0.6
136.07588	0.7
139.07477	0.5
141.06976	1.3
142.07750	0.7
143.04955	0.5
143.08588	0.8
144.05710	1.6
145.04944	1.0
145.06458	1.2
145.10075	0.8
146.07278	0.6
147.04370	0.9
147.08038	0.9
147.11629	0.4
148.07573	5.6
149.02380	0.6
151.03969	0.9
153.06900	0.6
157.06482	1.3
157.10164	0.8
158.99666	0.6
159.02963	0.7
159.08035	3.7
160.12383	0.4
161.05997	0.6
161.09619	1.4
162.09029	0.6
166.08672	1.4
167.03398	1.1
169.07660	0.4
170.07259	0.5
171.08035	1.2
174.06763	0.5
175.07619	0.5
175.12360	2.1
176.10687	4.7
177.00720	0.8
177.05618	0.6
185.05940	0.5
185.13319	0.5
187.07556	2.6
188.06999	0.5
189.05457	1.6
189.09067	3.2
193.13385	1.0
203.07007	1.4
203.10649	0.6
204.07803	1.2
207.10091	0.5
212.66069	0.4
213.09016	0.4
218.12961	0.6
219.01817	0.6
229.05392	3.3
231.04860	0.5
231.10138	2.1
231.13869	1.3
232.83221	0.4
237.02771	0.5
238.06012	2.6
249.07573	28.0
249.11217	13.5
249.17067	4.2
250.07549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.8
53.03946	17.5
55.01860	7.9
55.05500	4.0
57.03426	7.6
58.54632	1.6
61.02920	3.9
65.03923	2.5
66.87807	1.7
67.05493	6.3
68.99777	2.7
69.03430	63.9
69.07066	3.8
69.39791	14.0
71.05001	9.2
72.08135	4.2
73.02898	4.8
77.03912	2.3
79.05486	10.8
81.03416	100.0
81.07054	8.7
84.08115	2.1
85.02905	56.7
86.09710	2.8
87.00827	27.6
91.05450	8.8
93.07026	7.8
95.04962	13.4
95.08599	6.0
97.02892	36.8
97.06570	3.0
98.20765	3.7
99.04446	21.6
105.01917	8.1
105.03391	88.3
105.07024	11.1
107.08593	6.8
109.02882	43.4
109.06523	1.7
109.10169	3.6
115.03948	1.8
115.05445	4.1
117.07004	3.7
119.08578	7.5
120.08082	4.1
121.06476	3.0
121.10136	3.6
123.04417	6.4
123.08067	2.5
127.03918	34.7
128.06174	3.0
129.07008	4.2
131.08546	6.7
133.02859	3.5
133.06438	3.1
133.10097	5.3
135.04428	7.1
135.11633	3.8
143.08545	5.2
144.05663	1.8
145.04955	4.9
145.06453	3.9
145.10092	4.6
147.04410	2.4
147.08055	3.5
147.11670	4.6
149.02362	4.6
149.05951	1.9
151.03909	4.3
157.06479	4.2
157.10120	4.3
159.08034	6.6
159.11708	2.4
161.06023	2.5
161.09610	4.8
167.03471	4.2
171.04350	1.9
171.08038	2.4
171.11649	2.2
173.06032	2.1
175.03915	2.4
175.07573	4.3
175.11145	2.9
175.14763	2.1
176.04379	2.2
179.45636	2.1
185.09740	1.9
185.13225	3.1
187.07559	4.0
189.05458	5.6
189.09169	8.0
189.16350	2.3
203.10669	2.3
203.14285	2.0
207.13715	3.1
213.12807	2.6
231.04915	3.7
231.10304	9.1
231.13823	7.9
231.17383	2.6
247.63208	1.9
249.07567	26.5
249.11183	28.0
249.14656	8.7
249.18401	3.8
249.20476	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	249.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.0
53.00306	0.5
53.03942	6.3
55.01600	0.4
55.01870	11.6
55.05516	2.2
57.03436	12.8
59.05000	1.4
61.02928	8.6
64.47368	0.5
67.01868	0.6
67.05495	3.1
68.99791	5.6
69.03429	75.4
69.07069	1.3
70.03758	0.7
70.06590	2.9
71.01353	1.9
71.04995	9.6
71.51667	0.4
71.52104	0.6
72.08173	1.2
73.02917	9.1
73.29613	0.4
79.05505	3.9
81.03419	52.3
81.07043	3.5
82.03770	0.6
83.01350	2.1
83.04988	1.7
83.08586	0.7
84.08144	0.5
85.02907	100.0
85.06542	1.1
86.03235	0.5
86.09724	0.8
87.00831	50.6
87.04472	2.5
89.27731	0.5
91.03951	1.5
91.05476	5.1
93.07035	3.5
95.04967	3.0
95.08597	2.9
97.02893	46.2
97.06564	0.8
98.03249	0.6
99.00832	0.5
99.04456	25.9
100.11269	2.0
101.02373	1.9
103.05473	1.1
105.01869	28.1
105.03384	12.0
105.07032	4.4
107.04980	1.5
107.08617	1.9
109.02879	32.0
109.06577	1.0
109.10165	1.4
110.07169	0.7
111.04441	0.8
111.08103	0.7
115.03967	2.7
115.05463	2.1
116.06298	0.6
117.01854	1.7
117.07033	2.1
119.04954	1.1
119.08568	3.7
120.08118	0.8
121.02850	0.6
121.06497	1.1
121.10168	2.0
123.04437	2.1
123.08079	1.2
125.02352	0.6
127.03921	51.8
128.04172	0.5
128.06227	2.8
129.01845	4.1
129.07010	4.9
131.01221	0.6
131.04884	0.7
131.08574	3.9
133.02911	0.5
133.06564	2.3
133.10127	3.2
134.10643	0.5
135.04416	5.6
135.08070	0.8
135.11690	1.3
136.05289	0.4
136.06184	2.5
137.05960	0.6
137.09618	0.7
139.03905	0.9
141.07004	1.6
142.07793	1.3
143.08574	1.9
144.05711	1.6
145.04979	11.0
145.06477	3.0
145.10126	2.0
146.07237	0.9
147.02924	1.5
147.04416	8.0
147.08095	2.4
147.09128	0.6
147.11723	0.9
148.07631	1.0
149.02359	1.7
149.06003	0.8
149.09633	0.9
151.03894	2.0
153.01706	0.6
155.07072	0.7
155.19095	0.4
157.06522	1.8
157.10161	1.3
159.02876	5.1
159.04187	0.7
159.08060	4.8
159.11739	0.7
160.05270	0.6
161.06003	2.1
161.09612	4.1
161.13287	0.5
162.09126	0.6
163.11179	0.5
165.08958	0.4
167.03410	2.1
170.07280	1.4
171.02884	0.7
171.04373	0.5
171.08067	2.0
171.11655	0.8
172.05295	0.4
173.06009	1.3
174.06744	1.2
174.11575	1.3
175.07567	1.7
175.11153	0.7
177.05501	2.0
185.05920	0.6
185.09637	0.6
185.13301	1.1
187.07558	3.1
189.03976	0.9
189.05502	5.6
189.09105	21.1
189.12738	1.0
190.06323	0.6
191.06963	0.8
193.08618	0.7
199.07516	0.5
203.07057	1.7
203.10626	1.3
203.15398	1.8
204.07863	2.0
205.17891	0.7
206.09337	0.6
207.06548	0.8
207.10211	1.9
207.13591	0.5
207.17162	0.5
213.04018	1.4
213.12733	0.6
216.07890	0.8
216.12621	0.6
219.10124	0.7
230.47200	0.5
231.05023	3.7
231.10184	6.9
231.14856	4.5
231.17375	0.9
249.07477	4.0
249.11217	20.8
249.15562	3.3
249.18605	3.9
250.10768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.9
55.71585	0.7
56.96568	12.9
69.85139	3.7
73.02927	0.8
75.24168	0.8
75.86021	0.7
82.99851	2.1
84.96027	1.7
85.01412	1.0
85.02898	0.9
86.99373	1.0
98.97582	28.7
100.99148	2.3
101.00879	33.2
103.02444	1.7
105.00365	0.7
108.65283	0.7
112.99100	1.0
113.00890	1.8
115.02433	1.1
116.98625	16.2
119.00160	2.3
119.01920	100.0
120.02002	1.8
124.99187	0.9
127.02487	1.1
131.00230	1.0
131.01900	10.2
133.03473	2.0
134.99670	6.5
137.02956	22.1
142.03497	2.9
143.00200	3.8
143.01900	15.3
145.03477	11.4
146.99635	2.1
147.01373	1.0
149.02969	1.7
153.00658	0.9
154.03464	0.8
157.03467	2.3
159.00111	1.2
159.01399	10.6
161.01256	6.1
161.02957	59.1
162.03253	0.7
162.99188	0.7
163.02762	0.9
163.04549	2.3
163.12526	0.8
165.00757	1.6
171.01360	4.8
173.01505	1.0
173.02971	4.9
175.04488	1.8
177.00754	2.8
177.02429	22.4
177.03995	1.5
179.02382	1.2
179.04018	1.9
183.01630	1.7
184.04561	3.4
189.00752	5.0
189.02431	41.2
191.04007	5.8
192.98715	0.8
201.02458	5.6
203.02171	0.8
203.04051	1.6
207.01758	10.0
207.03539	17.9
210.96687	2.1
212.04056	1.2
219.03502	8.0
219.97365	1.1
223.01204	1.0
225.02928	1.9
225.97298	0.9
231.03531	1.9
234.97961	1.1
235.00940	0.8
243.98225	1.1
247.01312	1.3
249.04590	21.4
249.07065	1.6
267.05750	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	13.6
53.82776	1.3
55.01869	11.6
55.05505	2.4
57.03436	11.4
59.04992	2.1
61.02922	6.5
64.87611	1.8
67.05500	7.3
68.99789	5.7
69.03429	80.9
69.07057	4.3
69.35761	12.4
70.06580	6.7
71.01363	2.7
71.04996	12.0
72.08158	8.3
73.02911	6.8
74.55344	1.4
78.03453	3.9
79.05476	6.3
80.05021	1.8
81.03418	74.2
81.07044	4.5
83.04971	3.8
84.04513	1.8
84.08117	3.1
85.02902	100.0
85.06525	1.7
86.09699	5.3
87.00830	39.0
87.04479	2.1
91.05468	10.2
93.07046	5.1
93.46343	1.6
95.04968	8.4
95.08592	4.9
96.04461	2.1
97.02886	47.8
97.06512	3.1
99.04454	29.5
101.02383	4.2
103.05466	2.0
105.01875	19.6
105.03389	41.7
105.07030	6.9
106.02945	13.9
107.04951	7.2
107.08576	3.4
109.02133	2.8
109.02880	44.3
109.06534	2.7
110.07188	3.8
111.08071	2.2
115.05456	4.3
116.07049	1.8
117.07029	4.3
118.06599	2.0
119.08579	6.8
120.08096	6.8
121.06507	3.6
121.10166	4.9
123.08026	2.1
124.03947	16.9
127.02971	3.1
127.03915	59.6
128.06213	4.1
129.01855	2.2
129.07010	7.2
131.04893	1.5
131.08575	7.0
133.05327	4.1
133.06430	3.8
133.10106	4.3
135.04417	6.4
136.06233	2.1
136.07533	3.0
141.06998	3.3
143.08566	5.5
144.05736	3.5
145.04982	7.2
145.06453	5.3
145.10120	3.8
146.05986	3.6
146.07146	1.5
146.09598	1.7
147.04407	4.4
147.08057	3.7
148.07567	17.2
149.02336	6.0
149.06020	1.8
151.03899	4.9
152.05688	3.5
157.06444	2.3
157.10091	2.3
159.02950	7.5
159.04143	1.8
159.08064	8.5
161.05956	4.5
161.09662	7.3
161.10745	2.0
161.13283	2.2
162.00064	1.8
162.09105	2.7
163.11205	2.1
166.08614	3.6
167.03389	14.3
170.07274	2.6
171.08054	4.4
171.11687	2.4
175.03864	2.4
175.07542	3.8
175.12418	3.3
176.10674	10.4
185.13208	2.6
187.07564	4.8
189.05472	8.4
189.09065	12.7
189.12666	1.7
190.12148	1.8
203.07010	5.6
203.10728	2.6
204.07935	3.4
207.09975	2.1
207.13902	1.7
213.04008	2.3
219.10332	2.0
231.05048	5.3
231.09949	12.5
231.13474	7.6
249.07458	7.8
249.11156	36.3
249.14896	4.4
249.16882	6.1
249.19350	1.9
250.07124	6.8
250.13014	2.4
250.19269	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	248.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.7
56.05030	2.7
56.72757	1.2
56.96567	45.3
56.98984	1.1
57.03411	1.8
60.05639	1.5
60.95836	2.0
69.03397	3.4
70.06590	8.8
70.16766	5.6
71.04981	2.5
71.95239	2.8
72.08137	5.8
72.96024	2.9
73.02925	1.2
74.06081	3.4
81.03429	1.7
84.08142	17.0
84.96015	2.8
85.02910	7.0
86.06047	1.2
86.09702	7.7
97.02890	1.4
98.97585	100.0
99.97945	1.5
101.00887	1.8
102.96907	1.6
110.07159	3.9
110.97554	2.2
116.00196	3.3
116.07111	3.1
116.98621	67.2
124.04951	1.3
126.02306	1.7
128.98566	2.5
129.10196	2.4
130.08676	1.5
131.00185	2.4
134.01218	2.9
134.99657	27.8
140.00208	2.3
140.03848	1.8
142.05438	2.1
143.00104	1.7
145.01698	1.8
146.99669	2.9
153.00740	3.9
153.06653	6.7
154.03856	5.6
158.01245	1.6
158.04913	4.3
158.99681	3.4
160.06441	5.2
161.01250	1.7
163.04424	2.1
165.00751	1.5
170.05087	2.5
171.03337	2.0
177.00694	3.8
178.07498	1.4
188.05981	3.5
189.00658	1.6
189.04341	10.3
206.07065	8.4
207.01788	2.2
207.05350	7.3
224.04413	1.8
224.08101	12.0
230.06996	32.0
231.05319	4.1
231.08734	3.5
248.08058	84.1
248.57118	1.7
249.06319	1.9
261.59409	1.4
266.09128	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	247.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88741	0.3
60.08162	3.6
67.81348	0.4
69.88549	1.8
83.65772	0.4
104.10740	100.0
105.11060	0.7
200.73781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
55.05507	0.6
55.93514	0.3
56.05023	0.4
56.96556	0.5
62.57648	0.3
67.05499	0.7
69.03423	0.9
69.07059	0.5
69.60684	1.9
70.06583	1.9
71.05001	0.3
72.08144	1.9
72.66890	0.3
75.59594	0.3
79.05499	0.6
81.03407	0.8
81.07054	0.6
84.04487	0.5
84.08130	2.2
85.02920	1.3
85.06532	0.3
86.09702	4.1
89.03917	1.4
91.05479	0.7
92.05860	0.3
93.07047	0.5
95.04993	0.4
96.05332	0.3
97.02902	0.5
98.06026	0.4
98.97595	0.3
103.05482	2.2
105.03385	0.5
105.07009	0.3
109.02859	0.6
110.07198	1.3
115.04220	0.7
119.08625	0.3
120.08119	2.5
121.02823	0.5
122.03235	0.7
127.03915	1.8
129.10231	1.0
130.02965	0.5
130.06519	1.1
130.08603	0.4
132.01123	0.4
133.05278	0.4
133.06506	0.3
136.06181	0.5
136.07491	0.3
143.03697	0.4
145.02910	0.7
147.04402	0.6
147.11349	0.4
149.09586	0.2
150.05501	0.3
150.07735	2.2
153.01816	0.4
154.02104	0.8
156.07762	0.6
158.06007	100.0
159.06366	1.7
161.05969	0.3
162.05461	0.3
169.09781	0.3
175.03903	1.0
176.04285	1.8
176.07051	8.6
177.05424	0.9
184.07591	0.6
186.03720	1.1
186.09256	0.3
187.04460	0.5
188.07126	1.0
199.08687	2.3
202.09053	0.5
204.04770	0.7
204.06537	6.5
212.07118	0.7
214.59061	0.3
220.09627	0.4
224.48672	0.3
230.04480	48.7
230.08208	2.0
231.04837	1.1
248.05536	17.0
248.09149	2.8
248.12819	0.8
248.15054	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	Loxoprofen
Peak:m/z	Relative Intensity
53.03941	3.6
55.01876	2.2
55.05503	5.1
57.07056	2.5
65.03928	4.7
67.05516	8.3
67.05818	1.6
68.99781	1.4
69.03434	14.4
69.07068	2.6
70.18081	5.8
73.26290	1.4
74.54803	1.2
77.03925	1.8
79.05510	9.9
81.03383	1.8
81.07056	14.6
81.28608	1.4
83.04983	16.3
85.06537	2.3
91.05486	26.9
93.03388	3.8
93.07045	14.6
95.04982	7.2
95.08600	5.4
97.02883	5.4
97.06542	2.9
103.05444	2.2
105.03425	2.3
105.07024	16.5
107.04945	3.9
107.08597	13.3
109.02876	10.4
109.06516	9.6
109.10139	5.3
111.04428	4.2
111.08048	1.2
115.05449	4.3
117.07018	9.3
119.04976	6.3
119.08595	17.5
121.02879	7.2
121.06509	13.3
121.10123	8.3
123.08047	1.4
123.11700	1.1
128.06200	3.7
129.06982	6.3
130.07788	2.1
131.04912	2.4
131.08580	19.0
131.11122	1.1
132.05693	2.3
133.02837	7.6
133.06516	2.5
133.10124	10.2
135.04396	1.2
135.08058	26.0
135.11678	2.8
137.05983	3.5
137.09622	3.8
139.03886	1.6
141.07024	2.0
142.07790	2.4
143.08565	7.8
144.05690	2.1
144.09334	5.1
145.06482	12.6
145.10132	15.1
147.04425	21.8
147.08052	5.7
147.11661	1.9
149.05945	1.4
149.09621	18.5
150.10414	1.4
151.03934	7.6
151.11148	3.3
153.01884	2.4
153.06992	2.2
153.09064	1.7
155.08537	5.7
156.09378	1.4
157.06467	1.9
157.10150	3.5
158.09755	1.9
158.10899	9.2
159.04419	3.8
159.08081	12.5
159.11707	21.1
160.08842	4.2
161.09608	6.5
163.03859	4.1
163.07547	16.2
163.11263	2.0
165.07030	1.8
165.09128	1.8
167.03365	2.1
168.09335	4.0
169.10126	1.9
170.10892	4.5
171.08009	4.9
171.11697	1.3
172.08871	11.6
173.05966	3.3
173.09636	24.0
173.13268	27.1
175.03915	100.0
175.07303	2.6
176.04453	2.0
183.08063	2.0
183.11642	6.9
185.13287	3.0
186.10413	19.7
187.03918	5.3
187.07675	7.3
187.11188	78.7
187.14767	3.5
188.11688	1.7
189.05421	2.1
189.09137	3.2
191.07039	27.7
196.08839	3.9
201.05449	4.9
201.09059	6.8
201.12755	41.7
205.12227	4.4
211.07576	3.3
211.11200	8.8
213.05548	1.4
214.06253	1.6
214.09938	2.5
217.08603	1.7
219.06239	1.5
219.13722	5.7
229.08649	24.9
229.12219	46.2
229.15804	2.1
229.19600	2.5
230.12616	1.5
247.06061	3.8
247.09660	35.0
247.13298	66.4
247.16937	7.4
247.20573	2.9
247.24228	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	247.0964
Annotation	7-Hydroxy-6-(2-(R)-hydroxy-3-methylbut-3-enyl)coumarin
Peak:m/z	Relative Intensity
50.38639	0.4
51.02378	0.9
53.03921	0.7
55.01880	1.3
55.05509	2.0
57.03430	0.9
61.01144	2.0
65.03946	1.4
67.05506	3.0
67.59283	0.5
69.03426	1.4
69.07065	1.4
69.16094	0.5
70.29251	2.0
74.02983	0.5
77.03922	5.6
79.05489	2.9
81.03417	1.2
81.07055	8.1
83.04958	0.8
83.08630	0.6
84.32376	0.5
85.06542	2.2
86.06054	3.1
91.05482	12.3
93.07071	3.8
95.04955	2.3
95.08599	2.1
97.02914	0.5
97.06528	4.4
102.03764	1.1
103.05482	1.2
105.03380	3.3
105.07024	3.4
107.04951	2.6
107.08595	2.3
109.02860	0.6
109.06548	0.7
109.10155	1.2
112.76450	0.5
115.05489	1.8
116.06177	0.6
117.07014	3.2
119.04929	4.7
119.08563	2.1
120.04805	0.6
121.02866	11.0
121.06493	1.0
121.09268	0.6
121.10140	1.8
123.08096	0.9
123.11662	0.7
128.06252	0.9
128.86684	0.5
129.07001	2.2
130.07779	1.1
131.04922	2.9
131.08548	3.3
133.02849	30.2
133.06477	1.7
133.10115	1.3
134.03661	0.7
135.04437	1.0
135.08131	1.2
135.11673	0.8
137.09608	1.3
141.06964	2.6
143.08633	0.7
144.05731	2.7
145.02866	0.6
145.06470	2.9
145.10112	5.3
147.04408	22.3
147.08083	0.8
147.11639	0.6
149.07433	2.0
149.09561	1.1
149.13208	1.1
151.03900	39.0
152.04301	0.6
153.01834	1.2
153.06984	3.2
154.07739	0.9
155.08545	5.9
157.06548	1.2
158.07285	4.0
159.04424	4.3
159.08264	3.6
159.11702	1.4
161.09645	0.7
163.03900	10.5
163.07475	0.9
165.05634	1.3
165.06987	6.6
167.03395	1.4
168.05721	1.6
173.05978	2.1
173.09616	2.3
174.05524	2.4
175.03905	100.0
175.11153	1.4
176.04417	2.4
177.05571	1.2
177.09027	0.8
182.07277	0.6
183.08017	4.6
183.09302	0.6
186.06758	1.1
187.03885	5.3
187.07526	3.8
187.11098	0.8
187.14801	1.0
189.05489	1.2
189.09085	0.6
191.07065	1.3
191.10614	0.6
193.06400	0.8
201.05537	3.6
201.09097	23.2
201.10985	1.2
201.12869	0.7
202.09450	0.8
203.07024	1.6
203.10667	0.6
205.04919	1.0
211.07568	6.9
211.14728	0.9
217.08485	0.8
219.10223	2.6
229.08597	47.7
229.15794	1.1
247.05774	2.1
247.09647	46.2
247.15086	0.9
247.16783	3.7
247.20680	0.6
247.24228	1.2
248.09486	1.2
265.10706	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	247.0965
Annotation	Decursinol
Peak:m/z	Relative Intensity
57.07078	0.3
58.43606	0.2
65.03938	0.6
67.05491	0.8
69.84278	1.2
70.49531	0.3
85.06562	0.6
91.04910	0.4
91.05481	7.5
103.05486	0.6
107.04995	0.3
119.04951	3.9
131.04935	1.5
143.04863	0.3
145.06488	0.5
147.04419	18.9
155.08522	0.3
159.04425	3.1
163.03905	2.7
173.05972	1.1
175.03909	100.0
176.04259	1.0
177.05486	0.3
186.06801	0.3
187.03888	4.4
187.07544	1.1
189.05452	0.8
201.05457	3.2
203.07004	1.3
205.04944	0.4
214.06296	0.3
216.06555	0.4
229.08600	17.1
230.09068	0.5
247.09668	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0964
Annotation	7-Hydroxy-6-(2-(R)-hydroxy-3-methylbut-3-enyl)coumarin
Peak:m/z	Relative Intensity
51.02378	1.4
51.42712	1.1
53.03902	1.2
55.01868	5.1
55.05496	1.6
65.03942	1.5
67.05492	3.5
69.03423	2.3
72.08160	1.2
77.03926	16.3
79.05488	5.3
80.84113	1.0
81.03432	1.7
81.07071	5.7
83.49879	1.2
91.05473	9.6
93.07037	3.3
95.04973	5.4
95.08568	1.2
97.02859	1.6
97.06519	14.0
98.97559	1.2
103.05445	2.2
105.03405	8.7
105.07032	5.3
107.04934	3.7
107.08569	1.5
111.04452	1.9
115.05439	5.2
117.07018	4.9
119.04934	4.1
119.08562	2.5
121.02865	23.4
121.03772	1.9
121.06484	1.3
123.04434	1.5
128.06224	3.2
129.06999	4.0
130.07748	3.1
131.04904	3.7
131.08577	5.7
133.02852	100.0
133.06491	4.0
134.03659	2.0
135.04370	1.2
137.09593	1.3
141.06984	5.2
143.08559	1.6
144.05753	6.6
145.06490	10.4
145.10153	10.1
147.04414	19.3
147.08081	1.6
149.05983	1.1
151.03903	99.0
153.01823	1.3
153.06982	9.0
154.07800	3.3
155.08546	19.2
157.06490	3.8
158.07263	13.6
159.04385	1.8
159.08069	5.8
159.11708	1.9
161.09605	1.3
163.03940	5.1
163.07530	4.4
165.06998	17.6
168.05705	4.7
173.09575	5.8
174.05424	1.6
175.03911	36.1
175.11183	4.1
176.04710	5.9
177.05450	3.4
183.08028	14.6
183.09464	1.3
185.09526	1.5
187.03952	1.4
187.07556	7.1
191.07077	2.5
193.06386	1.7
199.07773	1.2
201.05472	2.5
201.09099	64.7
202.09462	1.4
205.08536	5.9
211.07524	18.7
219.10181	5.5
221.88202	1.1
229.08600	91.0
229.12233	3.4
230.08794	1.9
247.09654	66.0
247.13606	3.4
247.16824	2.7
247.18958	1.7
248.10150	1.7
265.10684	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	247.0964
Annotation	Decursinol
Peak:m/z	Relative Intensity
56.60716	0.3
60.41212	0.3
60.88837	0.3
63.80454	0.3
65.03941	0.8
65.66875	0.3
67.05495	1.0
69.56420	2.3
85.06538	0.6
91.05473	10.1
103.05437	0.5
104.10708	1.0
107.04930	0.4
110.97167	0.3
117.07061	0.5
119.04938	5.3
121.02950	0.3
128.06160	0.4
131.04903	2.4
143.04915	0.5
145.10144	0.4
147.04407	24.0
159.04395	3.6
163.03902	1.7
173.05974	1.6
175.03902	100.0
176.04205	1.5
187.03900	4.3
187.07498	1.0
189.05443	0.6
201.05542	1.7
203.07031	1.0
211.07594	0.4
216.06548	1.1
229.08582	10.1
247.09645	9.7
247.16644	0.3
260.50571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0966
Annotation	Decursinol
Peak:m/z	Relative Intensity
51.02181	0.1
51.02393	0.2
57.07074	0.2
59.04989	0.2
65.03656	0.1
65.03954	0.5
67.05516	0.8
70.14301	0.2
70.14692	0.2
75.92236	0.1
77.84577	0.1
79.05504	0.2
80.40759	0.1
85.06545	1.0
91.05483	8.1
95.30097	0.1
103.05463	0.5
105.07057	0.1
107.04961	0.3
115.05475	0.2
117.07016	0.2
119.04951	4.4
121.02853	0.2
128.06204	0.3
129.06940	0.1
131.04929	1.8
133.06456	0.2
135.04422	0.2
143.04941	0.2
145.06442	0.2
147.04416	19.0
148.04767	0.1
155.08542	0.3
159.04424	3.2
163.03912	2.7
169.06369	0.1
170.53032	0.1
173.06013	0.9
173.09625	0.2
175.03914	100.0
176.04242	1.5
177.05449	0.5
186.06760	0.2
187.03923	4.5
187.07509	1.1
188.04201	0.1
189.05453	0.8
191.03481	0.2
201.05490	3.1
201.09129	0.5
203.07054	1.2
205.04942	0.5
207.88033	0.1
211.07574	0.3
214.06281	0.4
216.06531	0.3
217.08685	0.4
229.08607	17.2
230.08864	0.3
247.09674	13.2
248.10074	0.3
265.10886	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0964
Annotation	Decursinol
Peak:m/z	Relative Intensity
52.21285	0.3
57.07051	0.3
65.03944	0.6
67.05500	0.9
69.48775	1.8
85.06545	0.7
85.27135	0.3
91.05480	7.9
104.10727	0.8
111.44740	0.2
119.04940	4.7
121.02831	0.3
127.17482	0.2
131.04951	1.8
134.46645	0.3
145.06384	0.3
147.04407	19.3
155.08548	0.4
159.04401	3.3
163.03876	2.4
169.90063	0.3
173.05992	1.3
175.03903	100.0
176.04294	1.7
179.06584	0.3
187.03883	4.2
187.07516	1.0
189.05597	0.6
191.03363	0.4
201.05476	2.7
203.06987	1.0
205.04921	0.3
211.07477	0.3
216.06493	0.4
217.08727	0.4
229.08595	14.1
230.08894	0.4
247.09653	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	247.0963
Annotation	Decursinol
Peak:m/z	Relative Intensity
59.85111	0.3
65.03942	0.7
67.05504	1.1
70.04876	2.0
85.06525	0.9
91.05480	9.0
103.05472	0.5
104.08553	0.4
107.04920	0.4
119.04939	4.4
119.41517	0.4
129.39601	0.4
129.85905	0.4
131.04956	2.2
147.04408	20.1
159.04373	3.3
163.03929	2.3
170.74648	0.4
173.05908	1.0
175.03903	100.0
176.04230	1.8
183.08081	0.4
187.03899	4.6
187.07574	0.8
189.05362	0.5
201.05449	3.2
203.06984	1.3
217.62482	0.4
229.08589	14.8
236.72026	0.4
247.09660	13.0
248.09790	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0965
Annotation	Decursinol
Peak:m/z	Relative Intensity
51.02389	0.2
55.05533	0.2
57.07060	0.2
59.04990	0.2
60.08165	0.2
62.39201	0.1
65.03938	0.7
67.05492	0.7
68.74362	0.2
69.45780	0.6
69.46207	0.7
73.52045	0.1
77.17828	0.2
85.06523	0.6
91.05478	9.7
97.61175	0.2
103.05458	0.5
103.35053	0.1
103.80756	0.2
104.10735	5.5
107.04877	0.3
115.05419	0.3
119.01640	0.2
119.04935	5.1
121.02793	0.2
128.06230	0.3
131.04941	1.9
145.06479	0.3
147.04404	20.5
155.08537	0.3
159.04414	3.1
163.03894	2.8
173.06003	1.1
173.09647	0.2
175.03902	100.0
176.04268	1.6
177.05478	0.5
187.02261	0.3
187.03902	4.3
187.07455	1.1
189.05476	0.7
201.05466	2.8
201.09146	0.4
203.07069	1.1
205.04996	0.3
216.06505	0.9
229.08588	16.3
230.08972	0.3
247.09648	18.5
248.09734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0965
Annotation	Decursinol
Peak:m/z	Relative Intensity
57.07068	0.3
59.05005	0.1
65.03948	0.7
67.05504	0.9
70.78768	0.3
70.79101	0.2
85.06538	0.8
91.05482	9.9
103.05457	0.5
107.04985	0.2
115.05435	0.3
117.06998	0.3
119.04942	5.2
121.02880	0.3
128.06212	0.2
129.07021	0.2
131.04930	2.0
133.06435	0.2
145.06483	0.4
147.04410	20.6
148.49622	0.2
155.08508	0.2
159.04424	3.0
163.03893	2.4
171.04166	0.2
173.05984	1.0
173.09718	0.3
175.03908	100.0
176.04298	1.4
177.05516	0.3
183.08005	0.2
186.06728	0.3
187.03909	4.3
187.07469	1.0
189.05537	0.7
191.03331	0.2
201.05482	2.9
201.09047	0.2
203.07045	1.2
205.04953	0.4
211.07550	0.2
214.06255	0.4
216.06599	0.2
217.08459	0.2
229.08600	16.5
230.08893	0.4
247.09669	11.9
248.10059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0964
Annotation	Decursinol
Peak:m/z	Relative Intensity
51.02390	0.1
53.00316	0.1
55.01863	0.1
55.05511	0.2
57.07059	0.2
59.04999	0.1
65.03629	0.1
65.03910	0.6
67.05495	1.0
69.31081	0.8
77.03952	0.1
79.05504	0.1
81.07053	0.3
85.06548	0.8
86.06092	0.1
91.05477	9.6
92.05795	0.1
93.07074	0.1
95.08630	0.2
98.20679	0.2
103.05450	0.4
105.07035	0.4
107.04955	0.2
107.08557	0.1
115.05457	0.3
117.07014	0.4
119.04937	4.7
121.02866	0.3
128.06215	0.3
129.06981	0.2
130.07784	0.1
131.04915	2.3
131.08537	0.1
133.02798	0.1
133.06450	0.2
133.10141	0.1
136.73087	0.1
141.07013	0.2
142.07742	0.1
143.04895	0.1
143.08571	0.1
145.06461	0.4
145.10136	0.2
147.04402	20.1
148.04761	0.2
151.03967	0.1
155.08546	0.4
159.04410	3.3
159.08139	0.2
163.03905	2.7
165.06967	0.2
168.05756	0.1
168.48851	0.1
169.06491	0.1
171.04340	0.1
173.05969	1.3
173.09639	0.3
175.03897	100.0
176.04231	1.5
177.05428	0.5
183.08076	0.3
186.06824	0.2
187.03894	4.9
187.07477	1.3
188.04379	0.1
189.05469	0.8
191.03418	0.3
201.05455	3.1
201.09103	0.6
203.07028	1.2
205.04997	0.4
211.07558	0.3
214.06261	0.3
216.06554	0.3
217.08536	0.2
221.35185	0.1
229.08585	17.4
230.08990	0.4
247.09648	14.6
248.10065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0965
Annotation	Decursinol
Peak:m/z	Relative Intensity
55.05514	0.6
57.07087	0.5
58.57990	0.2
65.03931	0.4
67.05497	1.1
70.72625	0.8
76.66335	0.3
79.05499	0.7
81.07058	1.1
85.06544	0.6
91.05477	7.1
93.07041	1.6
95.08615	0.9
104.10764	1.7
107.08585	0.9
109.10190	0.4
119.04948	3.5
121.10132	0.9
131.04936	1.6
135.11728	0.9
147.04414	16.8
149.13264	0.8
155.08545	0.4
159.04410	2.6
163.03941	2.5
173.05963	1.0
175.03906	100.0
176.04214	1.7
177.16481	0.3
187.03900	4.0
187.07509	1.2
189.05473	0.8
191.03442	0.6
201.05482	2.4
203.06924	1.4
205.05016	0.3
211.07584	0.4
216.06561	0.8
229.08597	14.6
247.09651	20.0
247.24242	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	247.0964
Annotation	Decursinol
Peak:m/z	Relative Intensity
51.02193	0.1
51.02397	0.2
55.01869	2.5
56.50642	0.1
57.07061	0.2
59.04993	0.3
63.02365	0.1
65.03925	0.7
65.04189	0.1
67.05502	0.9
69.03397	0.2
69.80326	0.5
70.06583	0.1
73.06535	0.1
77.03934	0.2
79.05481	0.2
81.07053	0.2
83.04994	0.1
85.06544	0.7
91.05476	8.6
92.05804	0.1
93.07030	0.2
94.58898	0.1
95.04952	0.1
97.02882	0.1
97.06528	0.2
98.20809	0.1
103.05479	0.6
105.03379	0.2
105.07034	0.3
107.04984	0.5
107.08522	0.1
109.06490	0.1
115.05470	0.4
117.07003	0.4
119.04940	4.5
119.08533	0.2
121.02840	0.5
121.06506	0.1
128.06224	0.3
128.07857	0.1
129.07007	0.3
131.04921	2.0
131.08578	0.3
133.02852	0.8
133.06482	0.3
135.04375	0.5
135.08076	0.1
141.06950	0.1
142.07883	0.1
144.05626	0.2
145.06476	0.6
145.10132	0.4
147.04404	19.5
148.04733	0.2
149.05969	0.2
151.03900	0.8
153.01807	0.2
153.06992	0.3
155.08539	0.5
157.06523	0.2
158.07257	0.2
159.04405	3.0
159.08054	0.5
159.11670	0.2
161.05986	0.1
161.09659	0.1
163.03891	2.7
163.07510	1.4
165.06999	0.3
168.05750	0.1
168.56845	0.1
171.39380	0.1
172.04973	0.1
173.05986	1.2
173.09627	0.2
173.13292	0.2
175.03899	100.0
176.04243	1.6
177.05418	0.5
177.09178	0.1
183.08057	0.3
186.06677	0.2
187.03903	4.3
187.07518	3.1
187.11176	0.1
188.08385	0.7
189.05440	1.1
191.03374	0.2
192.06398	0.1
200.04736	0.1
201.05466	2.7
201.09035	0.8
201.12703	0.1
203.06978	1.2
205.04947	0.2
205.08586	2.2
211.07617	0.5
213.05296	0.1
214.06235	0.4
216.06540	0.2
217.08603	0.3
219.10313	0.1
229.08586	19.2
230.08865	0.4
247.09644	17.3
248.10112	0.4
262.60089	0.1
265.10629	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0964
Annotation	Decursinol
Peak:m/z	Relative Intensity
57.07042	0.3
58.49125	0.2
60.35040	0.2
65.03925	0.6
67.05481	0.7
70.78645	0.5
74.40410	0.2
75.68058	0.2
85.06532	0.7
91.05479	8.8
92.05822	0.2
103.05460	0.5
107.04918	0.3
117.07025	0.2
119.04934	4.3
128.06194	0.3
129.06934	0.3
131.04922	2.3
147.04407	19.2
148.04784	0.4
159.04396	2.9
163.03894	2.6
173.06018	1.1
175.03905	100.0
176.04231	1.1
187.03917	4.2
187.07455	1.1
189.05444	0.8
201.05470	2.6
201.09248	0.3
203.06993	1.0
205.04979	0.3
211.07542	0.3
214.06207	0.3
216.06569	0.6
229.08595	16.7
230.08847	0.2
247.09668	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0963
Annotation	Decursinol
Peak:m/z	Relative Intensity
59.04984	0.2
65.03926	1.1
66.44555	0.1
67.05505	0.9
68.91251	0.1
69.54217	1.1
85.06561	0.7
91.05477	10.4
94.72398	0.2
103.05475	0.6
105.07004	0.2
107.04951	0.3
115.05502	0.2
115.19593	0.2
117.06988	0.2
119.04946	4.8
128.06200	0.2
131.04929	1.9
145.06468	0.3
145.10194	0.2
147.04408	19.8
155.08553	0.2
159.04408	3.6
163.03912	2.2
173.06010	1.2
175.03903	100.0
176.04240	0.5
177.05476	0.2
183.08041	0.2
186.06783	0.3
187.03891	4.1
187.07503	1.2
189.05409	0.8
201.05470	2.7
201.09181	0.3
203.07024	1.1
205.05037	0.2
211.07639	0.4
214.06262	0.4
216.06595	0.5
229.08595	17.3
247.09666	10.9
252.08791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0964
Annotation	Decursinol
Peak:m/z	Relative Intensity
51.02414	0.2
57.07047	0.2
59.04984	0.3
65.03931	0.7
67.05486	0.6
85.06538	0.7
91.05484	9.0
92.87862	0.1
98.20728	0.3
98.49101	0.1
98.73602	0.1
103.05463	0.5
115.05456	0.3
117.07015	0.2
119.04115	0.3
119.04942	4.7
121.02850	0.2
128.06224	0.2
131.04919	1.6
133.06505	0.2
133.24135	0.2
145.06456	0.4
147.04407	19.6
155.08534	0.4
159.04417	2.9
163.03915	1.9
165.07019	0.2
173.05954	1.1
175.03908	100.0
176.04237	0.6
177.05463	0.3
187.03908	3.8
187.07472	1.3
189.05446	0.8
201.05446	2.4
201.09128	0.3
203.06998	1.1
205.04933	0.2
214.06343	0.4
216.06548	0.4
229.08600	14.7
229.17639	0.2
237.86823	0.2
247.09660	23.8
248.09972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0965
Annotation	Decursinol
Peak:m/z	Relative Intensity
57.07058	0.3
58.89832	0.3
59.04021	0.3
65.03942	0.6
67.05500	1.3
69.74819	0.7
69.75227	1.3
70.96084	0.3
72.25070	0.3
85.06544	0.6
91.05489	8.6
94.69683	0.3
98.20794	0.6
98.98489	0.9
103.05476	0.8
104.10765	0.5
105.30949	0.3
117.06988	0.5
119.04955	3.9
121.02814	0.4
131.04941	2.1
147.04422	19.6
159.04413	3.0
163.03888	2.3
164.39348	0.3
173.06013	1.0
175.03918	100.0
176.04268	1.0
187.03902	4.3
187.07532	1.3
189.05498	0.5
201.05458	2.7
203.07033	0.8
205.04945	0.4
211.07600	0.3
214.06456	0.3
216.06543	0.7
218.25830	0.3
229.08617	15.6
247.09673	15.5
247.22566	1.0
248.10088	0.3
265.03372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0965
Annotation	Decursinol
Peak:m/z	Relative Intensity
57.07072	0.2
63.19462	0.2
65.03930	0.5
67.05505	0.8
71.18301	0.7
75.50437	0.3
79.55728	0.2
85.06543	0.8
91.05478	8.6
92.36525	0.3
103.05453	0.6
119.04949	5.1
131.04910	1.9
147.04414	19.2
148.04669	0.5
159.04419	3.4
163.03931	2.5
173.06013	1.0
175.03908	100.0
176.04243	1.6
177.05530	0.5
187.03894	4.4
187.07550	1.2
189.05513	0.6
201.05493	3.0
201.09106	0.5
203.07066	1.4
205.04907	0.4
211.07556	0.4
214.06299	0.3
216.06529	0.6
229.08597	18.5
230.08893	0.6
247.09659	15.2
265.10806	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0602
Annotation	2,3',4,6-Tetrahydroxybenzophenone
Peak:m/z	Relative Intensity
50.09767	0.3
53.03947	0.6
55.01874	1.6
55.05503	1.7
56.05051	0.3
57.03433	1.1
57.07077	0.3
65.03934	2.2
67.01865	2.7
67.05503	1.3
68.99780	1.6
69.03426	5.6
69.07067	0.7
69.92702	0.2
70.06585	1.5
71.01353	0.6
71.04983	0.4
72.08154	10.5
73.02888	0.4
79.05487	1.2
81.03414	0.8
81.07049	0.9
83.01335	0.6
83.04975	1.6
84.04491	1.2
84.08152	1.8
85.02894	1.7
85.06538	0.6
86.09705	3.5
87.00822	1.2
87.10043	0.5
91.05479	2.7
93.03402	0.3
93.07043	1.8
95.04962	1.8
95.08617	0.5
97.02883	4.4
97.06508	0.4
98.06044	0.4
99.04465	0.6
103.05491	1.2
105.01852	0.7
105.03385	1.7
105.07029	2.7
107.04944	0.6
107.08598	1.2
109.02883	0.8
109.06516	0.9
109.57038	0.3
110.07178	1.0
111.00789	0.4
111.04430	3.0
111.08097	0.4
113.02369	0.3
115.03939	1.0
115.05450	0.4
117.07028	1.0
119.04969	0.8
119.08572	2.1
120.08100	13.1
121.02861	56.9
121.03913	2.6
121.06470	1.3
121.10148	0.9
122.03211	0.5
123.08049	1.5
125.02341	4.1
125.09742	0.3
125.10755	1.1
126.09138	1.5
127.03966	0.4
127.75056	0.3
128.06259	0.3
129.07021	1.1
129.10233	0.5
130.05005	0.4
130.06549	0.6
130.07684	0.3
131.04930	0.6
131.08556	1.5
133.02876	0.5
133.04921	0.4
133.06483	0.5
133.10126	0.9
135.08043	0.7
137.05956	0.4
141.06969	0.8
142.07796	0.5
143.08554	1.0
144.05733	0.6
144.09349	0.4
145.06505	1.0
145.10152	1.5
147.04419	3.3
147.08040	1.2
147.11534	0.3
149.06079	0.3
149.09631	0.4
151.03900	0.8
153.01823	100.0
154.02185	1.1
155.08519	0.8
156.07979	0.9
156.09291	0.5
157.10127	0.9
158.06081	0.6
158.07315	0.7
159.04430	0.6
159.08072	1.8
159.11717	1.4
161.04449	0.3
161.09624	0.8
163.03874	0.3
163.07538	0.5
165.09119	0.6
167.03407	0.5
169.10014	0.4
171.02882	1.8
171.07990	0.4
171.11719	0.6
172.08809	0.6
173.05956	0.7
173.09589	0.7
173.13295	0.8
175.03903	14.2
175.11159	0.6
183.11691	0.7
185.07997	0.6
186.10323	0.4
187.03926	0.6
187.07584	1.0
187.11110	1.5
189.09125	0.9
196.08891	0.6
199.11229	1.2
201.03836	0.4
201.05449	0.7
201.07280	0.3
201.09103	0.9
201.12717	1.5
203.07085	0.4
203.08911	0.6
203.10703	0.8
205.04964	0.4
205.08682	0.4
211.07663	0.4
211.11211	0.8
217.12140	0.6
219.06235	0.3
219.14932	0.9
229.06844	0.5
229.08679	3.8
229.12096	1.4
247.06010	37.0
247.09578	3.4
247.13396	4.1
247.17033	0.6
248.06039	0.6
248.09178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
55.05511	2.3
56.05039	0.3
57.05808	0.4
58.06586	0.3
60.24737	0.2
69.03424	0.9
69.07068	11.1
70.06596	0.4
71.22338	0.2
71.22675	0.6
72.51891	0.2
81.03432	0.5
82.69915	0.2
83.04985	2.7
84.08145	0.6
85.02900	0.7
86.09704	100.0
87.10036	0.7
92.09943	0.3
97.02898	0.7
101.06033	0.3
105.34716	0.2
107.08548	0.3
107.81572	0.2
109.02878	0.5
127.03883	0.6
132.10190	1.8
199.18109	0.9
200.07097	0.3
237.26038	0.2
245.18626	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	247.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
53.28278	0.5
55.01869	0.5
55.05513	1.1
55.14817	0.5
56.05030	1.1
56.10788	0.4
56.96563	100.0
57.03447	0.8
57.07077	0.6
58.06581	0.5
61.02930	0.6
67.05511	0.7
67.78353	0.6
69.03440	1.7
69.07070	0.8
70.06592	4.6
70.18507	1.6
70.18859	0.9
70.98116	14.3
71.04998	0.9
71.95264	1.1
72.08155	3.4
73.02916	0.8
73.08503	0.7
74.97599	4.9
74.97929	0.4
81.03417	1.2
81.07068	1.0
84.04487	1.0
84.08144	5.3
84.96030	6.2
85.02902	2.3
85.06551	0.5
85.08495	0.8
86.09712	4.0
86.97608	3.1
88.03995	1.1
88.99159	7.5
91.05489	1.6
92.98669	0.8
97.02912	1.4
97.99190	1.0
98.97583	8.5
99.04459	0.7
100.07619	1.5
100.99140	7.5
101.07949	0.7
102.26888	0.5
107.00182	2.3
110.07213	1.0
110.97567	5.4
112.95501	1.1
115.00690	0.6
116.07124	0.9
116.98622	7.1
117.10287	0.6
118.08611	0.7
119.00188	5.9
119.01907	0.8
120.08127	1.0
121.02834	0.5
125.01295	0.6
125.02348	0.5
126.03760	1.1
126.97063	1.1
127.03941	0.8
128.98601	9.0
129.10265	1.3
130.08672	0.8
130.96515	3.0
131.00238	1.0
131.08592	0.5
132.10178	0.8
133.01727	4.8
134.99663	3.2
136.07593	0.9
137.01266	0.9
143.00160	1.0
144.98082	26.2
145.01770	0.6
145.10211	0.6
146.06076	0.6
146.99651	7.2
147.04462	1.7
147.11351	0.7
147.19156	0.5
148.06123	0.8
148.97545	4.2
151.02820	1.7
153.00763	0.6
153.01981	0.6
154.59509	0.5
158.99716	1.6
160.02692	0.5
161.01207	3.7
162.99146	37.4
163.02800	1.0
165.00746	1.3
166.98708	1.9
170.99687	0.6
174.99178	0.9
175.02548	1.1
175.03909	7.5
177.00798	1.6
179.02316	1.0
181.00194	13.4
186.00838	1.1
186.99117	3.0
187.10992	0.5
189.00676	0.5
199.01285	1.0
201.00774	0.8
201.12477	0.8
204.01923	1.0
204.11354	0.5
205.00191	26.1
219.01816	1.2
223.01248	60.3
224.01686	0.8
228.01854	1.5
229.08690	1.5
237.02933	2.0
241.02310	9.6
246.02797	3.7
247.01234	2.4
247.10057	0.9
247.13335	0.8
247.16319	0.8
247.18542	1.5
247.20573	1.0
265.02472	0.5
265.06186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.186
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
53.03956	0.2
53.12792	0.2
55.01874	0.3
55.05510	2.3
56.05029	0.7
56.19427	0.2
56.96563	0.5
57.03447	0.3
57.05813	0.5
57.07077	0.2
58.06601	0.5
60.04529	0.4
67.05502	0.9
68.05031	0.2
68.99782	0.2
69.03424	1.2
69.07067	11.4
69.66566	1.4
70.06590	3.6
71.04984	0.5
71.06919	0.2
72.08157	2.9
73.02941	0.4
74.06091	0.2
79.05487	0.5
81.03422	0.9
81.07056	0.8
83.04982	3.5
83.34243	0.2
84.04495	0.4
84.08146	4.7
85.02901	1.3
85.08478	0.4
85.97391	0.2
86.06075	0.8
86.09705	100.0
87.04466	0.2
87.10025	1.2
88.03963	0.2
91.05482	1.1
91.87344	0.2
93.07043	0.6
95.04969	0.4
95.08611	0.7
96.08102	0.2
97.02895	0.6
97.06532	0.2
98.97594	0.9
99.04472	0.4
102.05544	0.2
103.05444	0.3
105.03393	6.3
105.07035	0.4
107.04975	0.4
107.08593	0.4
109.02888	0.4
110.07153	0.6
111.04488	0.4
112.08709	0.3
115.05457	0.6
116.98590	0.5
117.07023	0.4
118.90083	0.2
120.08128	0.6
121.02869	0.4
121.10139	0.3
124.07609	0.5
125.07134	0.2
127.03928	0.5
127.08710	0.3
128.06248	0.6
129.06992	0.6
129.10225	1.6
130.06560	1.3
130.07573	0.2
130.08609	0.5
130.10558	0.3
131.04953	0.2
132.10194	2.7
133.06476	0.2
133.10107	0.2
134.06004	0.5
134.99690	0.3
143.08626	0.3
144.08083	0.8
145.06468	0.3
147.04391	0.4
147.11522	0.3
151.03932	0.2
154.06482	0.3
156.07959	0.4
157.06488	0.5
158.05928	0.5
162.09142	5.7
167.03400	1.1
170.05829	0.2
171.07991	0.4
172.05031	0.3
172.07614	0.6
175.03960	0.4
175.07550	0.5
181.06352	0.3
181.07767	0.2
184.07607	2.3
185.05997	0.5
185.09610	0.2
188.07191	0.2
189.09207	0.3
199.11270	0.3
199.18127	1.5
200.04453	0.2
200.07182	0.4
202.06929	0.2
202.08617	1.0
213.05519	0.3
215.07234	0.2
217.08662	0.6
217.19629	0.2
218.05704	0.4
227.07126	0.5
228.06578	2.4
245.04472	0.5
245.07925	2.4
245.12808	0.9
245.16467	1.6
245.18686	3.4
245.22580	0.3
246.05116	0.4
246.07732	2.0
246.11258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45284	0.4
51.44083	0.4
53.03938	0.5
55.01861	0.4
55.05502	1.6
56.43902	0.3
56.96557	1.6
57.03426	0.4
59.05011	3.0
65.12694	0.5
67.05495	0.7
68.05035	0.4
69.03443	0.8
69.07062	1.1
70.06599	3.5
71.05003	2.4
71.52679	0.7
72.08144	0.9
79.05497	1.1
81.07037	1.4
81.27045	0.4
83.04976	4.2
84.04480	0.5
84.08143	1.0
86.06020	0.5
86.09711	5.0
91.05473	1.3
93.07072	0.5
95.04938	1.0
95.08594	0.6
96.04485	1.0
97.02933	0.8
97.06514	0.6
97.38628	0.5
105.03396	5.4
105.07034	1.0
107.04983	0.7
107.08626	0.8
109.02920	0.8
111.04452	0.6
115.05460	0.8
119.08575	0.7
120.08109	0.7
121.02816	0.6
123.04411	0.6
123.08270	0.4
123.09206	1.5
124.07600	3.9
128.04941	0.4
128.06223	1.6
129.06987	1.9
129.10262	0.5
130.06548	0.7
131.06834	0.4
131.08554	0.7
135.04449	0.4
135.08069	0.7
141.06941	0.7
142.03177	0.5
142.07686	0.5
143.07309	2.0
143.08472	1.0
144.08072	1.4
145.06512	0.6
145.10135	0.6
146.06065	0.5
147.08052	0.5
149.02348	0.8
153.07022	0.5
154.06520	1.1
155.07318	0.5
156.08093	100.0
157.06548	0.9
157.08910	5.4
157.10138	0.7
159.04407	0.5
159.09186	0.6
161.06010	1.0
162.09140	1.3
167.03520	0.8
168.08101	1.0
169.08871	0.8
171.08061	0.9
171.11668	0.6
172.07585	1.4
173.08015	1.2
175.03966	1.3
175.07602	0.5
182.53758	0.5
184.11154	0.6
185.06036	0.7
185.09607	0.6
185.13286	0.4
194.09679	1.3
199.11183	0.8
199.13594	2.7
203.07031	0.7
203.10678	0.8
209.12029	0.8
212.10674	1.3
217.08563	0.8
222.04355	1.0
226.13838	0.5
227.07014	1.4
227.13028	25.3
228.06549	1.9
228.13477	0.6
240.05484	1.1
245.04463	1.6
245.08109	5.3
245.11732	1.7
245.13986	10.7
245.18646	0.4
245.22643	0.7
246.07640	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	245.0808
Annotation	Seselinol
Peak:m/z	Relative Intensity
51.02378	0.5
53.96903	0.3
55.01861	1.3
55.05518	1.6
56.92010	0.3
59.04714	0.4
59.04997	5.2
62.39790	0.3
64.39448	0.4
65.03941	0.5
66.80802	0.3
67.05497	0.7
69.03423	2.4
69.07059	1.1
70.06567	0.5
71.53091	0.5
74.17334	0.3
77.03923	0.4
79.05484	1.0
81.03384	0.5
81.07046	1.6
83.04948	1.0
83.08645	0.4
91.05480	9.3
93.07030	0.8
95.08607	1.2
97.06538	1.7
97.10137	0.4
98.56714	0.3
98.97601	0.7
103.05472	0.7
105.03384	1.5
105.06995	2.3
107.04938	1.3
107.08583	1.1
109.10125	0.5
115.05433	2.0
117.07018	1.1
119.04946	5.2
119.08576	1.4
121.02844	0.4
121.10102	0.5
123.11632	0.4
124.07555	0.5
125.09641	0.7
128.06218	8.1
129.05499	0.4
129.06999	2.3
131.04926	2.7
131.08557	0.4
132.05630	0.4
133.02838	0.7
133.06480	1.0
133.10062	0.7
134.03584	1.2
135.04465	0.5
137.05954	0.6
141.06976	1.2
142.07860	0.5
143.04922	0.5
143.08556	4.1
145.06485	1.4
145.10124	1.0
147.04411	17.7
147.08044	1.2
152.06169	1.1
153.06956	1.9
155.06036	0.6
155.08534	1.1
156.05728	1.0
157.06459	1.5
157.10100	1.0
159.04427	1.8
159.08022	0.9
159.11655	0.6
161.05956	0.9
161.13252	0.4
163.03886	1.3
165.05493	0.5
165.06870	0.5
168.10185	0.7
169.06462	0.4
171.04402	1.3
171.08028	4.6
171.11644	0.6
173.05948	0.5
174.06757	0.4
175.03900	100.0
176.04321	1.4
181.06487	2.2
184.05211	2.7
185.06003	2.0
185.09654	0.4
185.13329	0.8
187.03909	4.4
187.07530	0.4
189.01849	1.4
189.05424	3.1
189.09096	0.5
189.11168	0.8
199.03848	1.5
199.07547	4.5
201.05482	0.8
201.09119	0.4
203.03337	3.1
203.07027	54.8
204.07349	0.6
210.33849	0.3
212.04686	0.9
213.05396	0.6
215.07024	1.1
216.06523	0.5
217.08588	13.8
217.10677	0.7
227.07021	12.3
227.10555	0.8
227.17844	0.5
228.07472	0.4
230.05598	0.6
245.08089	77.4
245.15189	1.8
245.19028	1.3
245.22681	1.4
246.08394	1.3
263.09421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2061
Annotation	Phencyclidine
Peak:m/z	Relative Intensity
55.05501	1.7
57.07064	1.6
57.35324	0.6
58.06587	1.2
59.05005	8.8
67.05486	2.5
69.07056	2.3
70.06557	1.1
70.86543	0.6
71.08620	0.7
71.52948	0.6
76.03989	1.4
79.05479	1.9
79.56911	0.5
81.07062	6.6
83.08601	1.3
84.08131	1.2
91.05475	3.5
93.07042	4.5
95.08600	6.0
96.08115	1.5
97.10155	0.7
99.42177	0.5
105.07031	6.4
107.07351	1.3
107.08583	4.2
108.08102	2.1
108.08905	0.6
109.10172	3.0
110.09689	1.0
114.31225	0.6
115.05462	0.6
117.07040	1.4
119.04951	0.6
119.08582	6.3
120.08125	1.0
120.09229	0.5
121.10129	2.3
122.09658	1.8
125.09638	0.7
125.98392	0.6
128.06247	0.9
129.06987	0.7
131.04945	1.5
131.08588	5.6
133.10179	3.1
135.11656	1.5
141.85071	0.6
142.07802	0.8
143.08546	3.4
145.10136	10.3
146.06775	0.7
146.09663	0.6
147.04399	2.2
147.11711	3.7
148.11208	3.4
148.86790	0.6
156.09296	1.9
157.10129	7.0
159.04434	0.7
159.11720	3.7
160.11176	0.7
163.03970	0.7
171.11700	17.8
171.13168	1.0
173.13206	1.0
175.03903	5.5
176.04250	1.2
185.13309	3.1
186.22130	0.6
187.03893	7.0
187.14841	12.6
188.04221	0.6
199.07504	1.1
199.14848	0.6
201.05391	0.7
202.05780	0.7
203.07043	2.4
203.17987	4.2
214.05745	0.8
227.07079	0.7
227.17944	14.0
229.08098	2.5
244.10522	19.1
244.20607	100.0
244.22668	6.5
245.08130	12.1
245.10443	0.4
245.20929	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	244.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.9
56.05028	1.5
56.25940	0.4
56.96563	67.7
57.03427	0.8
58.06590	1.5
59.04994	0.4
60.04528	1.4
60.05646	1.2
60.95849	0.6
61.02925	0.6
65.13538	0.4
67.05509	1.0
68.05028	1.3
69.03432	1.3
69.04526	0.4
69.07065	1.4
70.02959	0.7
70.06590	28.1
70.17338	1.5
70.98124	1.4
71.04993	1.4
71.06934	0.6
71.95262	2.8
72.08154	100.0
72.96043	1.1
73.02924	1.2
73.08485	0.5
74.06070	1.2
74.97613	0.7
80.66443	0.4
81.03431	1.2
81.04527	0.5
81.07087	0.8
81.83124	0.4
82.06573	1.0
83.06098	0.8
83.97617	0.8
84.04497	3.7
84.08141	25.8
84.96046	2.6
85.02896	2.5
85.08475	1.0
86.06078	3.4
86.09706	6.6
87.04471	0.6
87.05607	0.7
87.10055	0.9
88.04010	0.8
88.99168	0.6
91.05472	0.8
92.73223	0.5
95.02450	1.4
95.04955	0.8
95.06093	1.8
96.01405	0.4
97.02904	2.2
97.06557	0.6
97.07705	0.4
97.99179	1.5
98.06071	0.5
98.09710	0.5
98.21454	0.5
98.97580	19.3
99.04451	0.7
100.07614	0.9
100.11265	1.2
101.00871	1.0
101.10792	1.0
102.05539	4.3
102.96968	0.6
105.03409	1.6
107.04944	0.4
109.02886	0.7
110.07188	1.3
110.09676	8.3
110.97577	0.6
111.04439	0.8
112.05087	50.3
112.07605	1.0
112.08709	2.2
112.11246	0.8
113.03436	0.5
113.04736	0.5
113.05457	0.6
113.98689	0.9
114.05504	0.8
114.09198	1.1
115.00591	0.4
115.08699	1.2
116.00242	1.2
116.07087	2.8
116.98618	15.9
116.99454	0.8
117.98988	0.5
119.01957	2.1
120.98023	0.4
121.02871	0.7
121.06492	0.6
123.08035	0.6
124.07590	1.1
124.95496	0.5
124.99105	0.5
126.02383	0.4
127.03967	0.6
127.08656	0.7
128.03413	0.6
128.07089	0.6
128.35403	0.4
128.98621	1.8
129.10240	5.2
129.11105	0.4
130.01756	1.4
130.05025	2.6
130.06551	0.4
130.08635	2.2
130.09555	0.5
130.93286	1.1
131.00180	1.5
131.01959	0.9
131.96118	0.4
131.99683	1.3
132.06590	0.8
132.10260	0.4
133.01709	1.0
133.03445	0.5
134.01299	0.8
134.99657	10.3
137.02974	0.8
140.00192	0.9
140.07095	1.1
140.10719	0.6
140.98659	0.5
141.10265	0.5
142.01804	0.7
142.03435	0.4
142.05255	0.4
142.08682	0.6
142.96527	1.5
143.00137	2.2
143.01897	0.7
144.98100	0.5
145.01720	0.6
145.03468	0.8
146.99658	2.1
147.11276	2.3
148.02823	1.8
149.01193	3.1
150.00734	2.2
152.07077	1.0
153.00739	1.8
154.01790	0.8
155.01875	0.4
155.08197	1.2
155.11867	0.6
156.03395	2.2
156.06578	1.3
157.03491	0.9
158.01212	1.0
158.04947	1.1
158.08127	16.2
158.09398	0.9
158.99698	1.4
159.03322	0.5
160.02870	1.2
160.97623	1.6
161.01244	4.7
161.02974	2.2
164.02315	0.9
167.02284	0.7
170.95992	0.9
172.02826	1.7
173.01311	0.9
173.02953	1.2
173.09264	0.7
174.04408	5.0
174.99121	0.5
175.02744	0.5
175.04393	0.7
175.10709	2.7
175.12091	0.6
176.02309	0.6
176.05980	1.7
177.00708	2.7
177.27040	0.4
179.02264	2.1
184.02837	2.3
184.97714	0.5
185.02861	0.6
185.12921	0.6
188.02328	0.6
188.05934	1.1
188.97084	5.8
189.00630	0.9
190.03934	0.6
190.95299	0.6
191.02287	0.8
192.05527	1.0
193.00212	1.5
197.06473	1.2
198.04303	0.9
202.02010	0.8
202.03870	15.3
202.05679	0.9
202.98633	2.1
203.02278	2.8
203.04066	1.0
206.03488	0.6
206.07021	1.7
206.98094	4.9
207.01740	0.8
211.98697	0.6
213.04266	0.6
214.03778	0.5
215.14000	0.6
216.05467	1.2
219.01865	1.1
220.04922	40.1
220.99684	1.8
221.03349	1.1
221.05231	2.1
224.08000	1.3
225.05505	1.7
226.15471	1.4
227.11661	0.6
227.13844	8.8
237.02882	0.6
238.05983	7.7
239.02271	1.2
243.06531	1.8
244.04926	1.5
244.16582	23.2
244.19235	1.0
245.04904	2.0
245.11327	0.8
245.14862	0.6
245.17122	0.8
257.03375	1.5
262.03488	0.9
262.06046	2.8
262.09805	0.6
263.06180	0.5
263.09024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
63.07310	1.0
68.05033	0.9
69.27641	0.9
69.27943	9.5
70.06599	4.6
72.08157	10.8
74.02445	6.4
84.04517	1.8
84.08144	9.7
85.02937	1.0
85.08481	3.0
86.09713	3.8
91.05494	1.0
95.35619	0.9
98.06042	1.0
98.20726	1.9
98.97552	1.0
109.80136	0.8
117.05767	16.3
129.07019	6.3
129.10208	2.3
130.06526	35.8
131.07344	6.2
141.05733	1.3
142.06517	1.6
142.63377	1.0
143.07320	12.2
144.08087	14.3
153.61160	1.1
154.06500	15.9
155.06013	8.5
155.07175	1.3
156.06790	1.7
156.08087	23.6
157.07602	18.5
158.06000	10.6
158.08345	7.5
166.06570	1.5
167.07298	1.4
169.05257	5.1
169.07622	2.7
171.09187	28.9
181.07617	23.0
182.06039	4.5
182.08298	2.8
183.09196	14.3
183.99220	1.0
185.07112	63.6
192.87917	0.9
198.10268	24.6
199.08691	2.1
200.07031	2.0
208.09657	1.0
209.07101	14.8
227.08156	100.0
228.08525	1.8
244.10831	20.2
244.16905	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24392	0.3
55.05518	0.4
56.05038	0.6
56.96564	100.0
57.03431	0.7
58.06596	0.4
61.02921	0.6
68.05018	0.5
69.03419	1.2
69.07072	0.6
69.66222	1.7
70.06592	9.0
70.06959	0.6
70.98116	0.8
71.04990	0.3
71.95258	1.6
72.08155	50.3
72.96036	0.9
73.02915	1.0
74.06081	0.5
74.97619	0.9
78.72289	0.3
81.03397	0.3
82.06637	0.3
84.04488	0.4
84.08142	7.3
84.96051	1.5
85.02895	1.7
85.03326	0.3
85.08467	0.3
85.67467	0.3
86.06054	0.6
86.09711	2.0
95.02447	1.0
95.06075	0.3
97.02895	1.6
97.99169	1.0
98.21478	0.6
98.97582	13.5
99.04417	0.3
99.97919	0.4
102.05537	1.6
102.96933	0.3
109.02891	0.5
109.99180	0.4
110.09680	4.0
110.97581	1.2
112.05087	49.0
112.99130	0.9
113.03504	1.7
114.09158	0.6
115.00712	0.7
116.00208	1.5
116.07090	1.4
116.98623	7.5
118.02886	0.5
119.01860	0.9
121.95936	0.3
124.00782	0.4
124.07549	0.4
124.95496	0.8
126.02351	0.4
127.00683	0.4
127.03953	0.4
128.00137	0.3
128.07101	0.6
128.97388	0.4
128.98586	1.1
129.10226	0.8
130.01746	2.9
130.04984	1.2
130.08644	0.4
130.93318	0.5
131.00157	1.1
133.01741	0.6
133.04909	0.3
134.01242	0.7
134.99660	2.9
138.02275	0.9
138.39613	0.3
140.07054	0.9
140.08075	0.3
142.01735	1.1
142.96535	1.0
143.00145	0.8
143.01924	0.4
145.01701	0.8
146.99673	0.7
147.11255	0.6
148.02808	1.6
148.03842	0.4
148.54085	0.4
149.01216	0.8
150.03535	0.4
150.44415	0.3
152.05653	1.4
152.07022	0.6
154.01733	1.8
154.03865	0.7
156.03320	6.6
156.06473	0.6
158.01266	0.6
158.04884	1.3
158.08122	8.4
158.99646	0.7
160.02808	1.1
160.04375	0.3
160.97560	0.8
161.01227	0.7
161.02936	0.3
162.01588	0.3
163.02907	0.6
163.04385	3.0
163.54369	0.3
166.01820	0.3
167.06978	0.4
170.96054	0.6
172.02824	2.2
172.04169	0.3
173.01256	0.4
173.09206	0.8
174.04378	8.2
174.99150	0.5
175.10754	1.5
176.02342	0.7
176.05940	1.8
177.00685	0.5
178.04939	1.2
182.03383	0.4
184.02779	5.1
184.97458	0.5
185.03018	0.5
188.97089	4.1
189.00597	0.5
190.03889	0.8
191.02306	0.4
192.05424	1.3
193.00226	0.6
194.07117	0.3
198.04428	0.7
202.03867	43.5
202.98624	1.2
203.04187	0.6
206.98126	2.8
211.98628	0.4
216.05450	0.9
219.01714	0.4
220.04930	89.9
220.99622	0.9
221.05164	2.1
222.05232	0.3
223.05585	0.4
225.05482	2.3
226.15512	0.5
227.13889	4.7
230.98143	0.5
234.06514	0.5
237.02820	0.6
238.03560	0.6
238.05981	11.6
239.02374	0.4
243.06535	3.1
244.04880	3.6
244.07048	0.7
244.16554	12.2
257.03256	0.6
262.03333	0.7
262.05948	6.4
263.06204	0.4
263.08881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.8
56.05026	0.6
56.96566	100.0
57.03443	0.6
58.75721	0.4
59.95271	0.4
68.05048	0.5
69.03423	1.3
69.07062	0.6
70.06595	9.3
70.73526	0.4
70.98100	0.7
71.04996	0.5
71.51322	0.9
71.95270	1.7
72.08157	47.7
73.02901	1.2
74.97623	1.0
84.08146	8.4
84.96043	1.7
85.02914	1.4
86.06074	0.5
86.09685	2.6
93.45348	0.5
95.02448	1.4
95.06121	0.6
97.02901	1.7
97.96796	0.5
97.99193	1.3
98.97584	12.9
98.98201	0.8
102.05533	1.4
102.96872	0.6
109.02871	0.5
110.09684	4.8
110.97569	1.0
112.05090	48.4
112.99130	1.0
113.03484	1.1
115.00703	1.1
116.00224	1.7
116.07118	1.3
116.98621	7.4
119.01865	0.4
124.95465	0.7
124.99106	0.6
127.12345	0.5
128.97334	0.7
128.98627	1.0
129.10246	0.9
130.01785	2.9
130.05026	1.4
130.08612	0.8
131.00197	1.0
134.99651	2.6
138.02313	0.7
140.00174	0.5
140.02336	0.5
140.07089	0.9
141.01028	0.6
142.01781	1.7
142.96622	0.6
143.00191	0.8
143.26993	0.4
145.01707	0.5
147.11278	0.6
148.02898	1.0
148.03880	0.7
148.54045	0.6
149.01228	0.8
152.05678	1.2
154.01770	2.6
154.03806	0.6
156.03310	6.4
156.06519	0.5
158.01195	0.8
158.04889	1.3
158.08124	7.1
158.99664	0.8
160.02896	0.6
163.02797	1.0
163.04375	2.0
167.07079	0.6
170.96080	0.6
172.02756	2.4
173.09224	0.7
174.04391	7.7
174.55177	0.5
175.10826	1.2
176.02309	0.7
176.06021	2.6
177.00696	0.6
178.05029	0.9
184.02779	5.1
187.00185	0.6
187.01691	0.6
188.97076	3.0
192.05449	1.6
198.04279	0.7
200.05760	0.6
202.03871	45.8
202.98651	0.8
203.04112	0.6
206.98149	2.0
219.01642	0.6
220.04933	91.9
220.99738	0.7
221.05220	1.1
223.05511	1.0
224.24384	0.6
225.05553	2.3
226.99083	0.5
227.13846	3.7
235.06607	0.7
238.06004	11.5
239.02379	0.9
243.06570	2.0
244.04912	3.4
244.06967	0.6
244.16582	10.7
262.05969	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	243.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30498	0.3
53.03944	0.5
55.01871	0.5
55.05518	2.4
57.07087	1.4
64.59576	0.2
65.03938	0.4
67.05506	9.4
69.07069	3.4
71.08619	0.4
79.05496	6.0
81.07062	9.8
83.08633	1.3
83.80594	0.3
91.05487	11.4
93.07050	6.2
95.04978	0.8
95.08612	6.1
103.05447	0.5
104.06257	0.3
105.03396	2.2
105.07033	9.0
106.03735	1.5
107.08589	4.6
109.10167	4.7
115.05440	1.4
117.07033	6.5
119.04942	0.7
119.07719	0.4
119.08578	8.9
121.06520	1.3
121.10145	6.2
122.06876	1.3
123.11732	1.6
128.06227	1.6
129.07034	2.1
131.04935	6.4
131.08575	11.5
133.10136	7.2
135.11702	4.3
141.06998	1.6
142.07776	0.5
143.08554	1.2
144.05704	1.0
144.09373	0.4
145.06482	2.9
145.10124	11.7
147.04424	2.7
147.11693	8.2
149.13263	2.2
153.06969	0.6
154.07780	0.8
155.08533	1.4
156.05745	0.3
156.08012	0.2
156.09377	0.9
157.06500	1.1
157.10152	0.8
158.07327	0.5
158.10904	0.3
159.04462	2.2
159.08049	0.7
159.11697	8.2
161.13261	10.4
163.14801	0.7
165.07007	0.5
169.06441	0.6
169.10161	1.3
171.04454	0.7
171.08070	1.0
171.11713	1.3
172.05145	0.3
172.07480	0.3
172.08864	1.0
173.05971	2.6
173.13271	9.8
175.03920	8.0
175.14835	2.2
176.04358	0.3
177.16273	0.3
181.06476	0.3
181.10120	0.3
182.07262	1.0
183.08070	1.7
183.11688	0.5
184.08858	4.2
185.05983	1.7
185.13237	0.8
187.03893	1.1
187.07565	0.4
187.11288	1.2
187.14828	6.4
189.05511	0.9
197.09683	0.4
197.13274	0.4
199.03899	0.5
199.07524	3.0
199.11224	1.7
200.04723	0.7
200.08459	1.3
201.05501	3.6
201.09096	0.6
201.16364	3.0
211.07535	0.9
213.05489	3.5
214.06189	0.5
215.07028	1.1
215.10629	0.4
215.17990	1.6
227.07002	3.1
228.07838	20.1
229.08192	0.9
241.08708	0.5
242.09395	0.5
243.10181	100.0
243.21088	49.3
244.10527	5.1
244.21385	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17677	0.3
53.03947	0.6
55.05514	11.4
57.07076	0.3
59.43682	0.3
60.96412	0.3
67.05511	0.6
69.03436	0.9
69.07077	0.5
69.96091	1.6
71.23490	0.3
79.05482	0.5
81.07062	0.9
83.04981	100.0
84.05323	0.8
84.95126	0.3
85.02934	0.4
91.05484	0.8
93.07046	0.4
95.08607	0.6
97.44284	0.3
100.07621	0.6
100.11257	0.5
101.11618	0.4
105.07026	0.5
115.05462	1.0
117.07023	2.0
121.10105	0.6
131.04932	0.5
131.08578	0.4
132.08083	0.5
140.43384	0.3
142.07793	0.4
142.15900	1.5
143.07333	0.8
143.16243	1.2
144.08084	71.2
145.06580	0.4
145.08429	1.1
145.10155	0.7
147.04422	0.4
153.06990	0.4
154.07687	0.4
157.10109	0.7
159.11714	0.3
161.10754	8.6
169.08749	0.5
170.05994	0.7
171.01434	0.5
173.05942	0.5
173.09567	0.3
175.03922	0.9
183.08025	0.8
185.05969	0.5
187.11198	0.4
187.14809	0.6
187.22528	0.5
188.07153	0.4
197.05864	0.3
198.12822	1.5
201.05717	0.4
201.07452	1.0
201.09071	0.4
211.07654	0.7
213.05350	0.4
215.10689	0.4
225.09145	0.4
225.14799	0.4
226.12282	8.3
228.06078	1.9
228.07916	1.0
242.28398	0.3
243.08415	14.9
243.10294	4.8
243.14886	3.2
243.17453	1.3
243.21089	0.6
243.28758	5.1
259.94894	0.3
263.55804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01867	3.4
55.05515	10.1
56.05036	2.3
56.96571	2.4
57.03420	1.6
57.07060	1.7
58.06603	1.6
60.04504	1.4
60.05659	1.4
65.03935	4.6
67.05493	4.3
68.05033	2.0
69.03422	3.4
69.05807	3.6
69.07059	3.6
70.06593	34.1
70.70636	1.7
70.70962	2.4
71.04997	3.8
72.08157	76.6
73.06550	2.3
79.05480	3.2
80.04996	1.7
81.03429	9.3
81.07047	6.6
82.04198	2.4
83.04994	2.6
83.08622	1.9
84.04509	9.7
84.08151	12.1
84.77652	1.2
85.02907	2.8
86.06075	2.0
86.09701	12.8
89.10808	6.1
91.04955	1.3
91.05471	6.1
92.02602	2.5
93.03436	1.5
93.07037	4.4
94.04187	2.2
95.01336	12.9
95.04965	5.1
95.06097	1.4
95.08620	6.0
96.08118	1.8
97.02898	2.7
97.06526	2.0
98.06051	9.2
98.21438	1.2
98.97615	1.9
99.04460	2.0
105.03397	7.4
105.07033	3.5
107.04960	6.2
107.08604	2.7
108.04501	2.2
109.02889	10.0
109.06518	5.2
109.10181	2.0
110.03635	3.2
110.06055	2.5
111.04424	6.1
113.07116	2.0
115.05474	2.0
115.08714	3.2
116.07113	2.5
119.04953	7.8
119.08578	4.5
120.02056	1.6
121.02866	100.0
121.06490	2.4
121.10119	3.4
123.04435	4.3
123.08064	1.5
123.11694	5.3
129.05547	1.7
129.10251	2.3
130.06548	1.9
131.04932	1.7
131.08572	3.3
133.10184	2.1
136.07626	1.7
137.02341	8.5
137.04842	1.6
137.05966	5.9
138.05525	4.6
140.04651	3.1
141.06985	2.9
145.06483	6.4
145.10153	1.5
147.04430	5.1
147.11714	1.4
149.09612	1.6
150.05515	11.3
151.03857	1.6
151.06335	2.0
151.07529	1.8
152.07123	1.5
155.07042	3.9
155.11827	1.8
157.06540	1.3
159.08028	2.1
160.57503	3.1
161.13304	1.8
162.09146	2.0
164.07082	6.7
165.05484	4.1
165.06924	1.6
166.08669	2.1
169.06430	2.3
171.07973	2.0
173.05968	7.1
173.13254	1.6
175.03888	2.3
176.10716	5.7
178.08650	20.3
179.07066	6.9
179.09416	5.0
180.10197	4.9
181.04910	2.3
181.06476	2.1
183.06523	4.2
183.11322	4.6
184.05223	5.2
187.07550	2.8
187.14810	1.2
191.09470	2.2
192.10193	19.0
193.10802	1.3
193.13364	10.6
194.08173	1.9
197.05984	23.9
197.08043	6.1
197.12862	5.8
208.09700	2.9
208.12076	3.2
209.12935	2.1
211.08415	7.6
212.08853	1.8
215.07040	11.7
225.14694	1.4
226.10788	3.4
226.12964	1.7
243.04613	2.1
243.06541	10.5
243.10266	4.2
243.13434	25.4
243.17465	3.9
243.21089	6.3
244.11961	3.9
264.18259	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1015
Annotation	Pterophyllin 1
Peak:m/z	Relative Intensity
51.81818	0.2
55.01872	0.5
55.05492	0.6
57.07055	0.9
60.22205	0.2
67.05492	0.7
69.07056	1.0
69.28094	0.7
69.28521	1.2
76.73209	0.2
79.05489	1.3
81.07051	2.1
91.05476	2.4
93.07037	0.6
95.08592	0.9
98.20734	0.3
103.05443	0.4
105.07015	1.2
107.08576	0.8
109.10135	0.3
109.73489	0.2
115.05440	1.2
117.07008	2.5
119.04939	0.8
119.08581	1.1
121.10120	0.5
123.04882	0.2
128.06206	1.7
129.06987	1.4
131.04930	6.3
131.08527	1.2
133.06615	0.2
133.10130	0.5
135.11659	0.3
140.39943	0.2
141.06967	1.2
142.07755	0.5
143.08557	0.8
144.05632	0.4
145.06471	3.3
145.10144	1.5
147.04402	3.8
147.11646	0.4
149.13205	0.3
153.06993	0.5
154.07806	0.6
155.04913	0.6
155.06050	0.3
155.08534	0.9
156.05649	0.2
156.09293	0.4
157.06516	1.0
157.10133	0.6
158.07191	0.4
159.04401	3.6
159.08037	0.4
159.11700	1.0
161.13293	0.4
163.03903	0.6
165.07039	0.3
165.39760	0.2
167.08510	0.2
169.06467	0.6
169.10144	0.7
171.04396	0.6
171.07980	0.4
171.11707	0.5
172.05109	0.3
172.08849	0.7
173.05988	3.5
173.09688	0.4
173.13254	0.9
175.03905	16.2
176.04260	0.3
181.06512	0.4
182.07254	0.6
183.08029	1.2
184.08813	2.0
185.05945	1.6
185.13309	0.4
185.64909	0.2
186.06815	0.2
187.03885	3.0
187.07516	0.6
187.11179	0.9
187.14828	0.8
189.05432	1.8
190.28206	0.2
197.09595	0.4
197.13283	0.5
198.27658	0.2
199.03871	0.8
199.07555	2.5
199.11133	1.4
199.14893	0.2
200.04669	0.9
200.08305	0.7
201.05464	6.7
201.09177	0.6
202.05762	0.3
203.03424	0.3
211.07539	0.6
213.05450	3.6
213.08971	0.3
214.06233	0.9
215.07033	1.3
215.10648	0.5
216.06726	0.2
225.09073	0.3
225.12778	0.3
227.07002	2.8
227.17885	0.5
228.07811	13.7
229.08241	0.3
242.09537	0.3
243.10168	100.0
243.21082	3.2
243.28799	0.4
244.10526	3.7
244.20616	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	243.1016
Annotation	Coelonin
Peak:m/z	Relative Intensity
55.01865	0.7
55.05487	0.4
61.82441	0.1
67.05479	0.5
70.19022	0.5
77.03918	0.1
79.05489	0.3
81.03413	0.2
81.07061	0.3
83.85651	0.1
91.05473	1.7
93.07040	0.3
95.04980	0.1
100.73523	0.1
103.05438	0.3
105.03392	0.1
105.07032	2.4
107.01301	0.3
107.04952	0.2
115.05457	0.6
116.06238	0.3
117.07034	1.5
119.04950	0.4
119.08583	2.4
123.04489	0.2
128.06154	0.7
129.07013	1.7
130.07808	1.1
131.04922	1.8
131.08568	1.3
133.10135	1.7
135.04449	0.3
141.06990	0.5
142.07788	0.5
143.08568	0.6
144.05742	0.4
145.06485	1.7
145.10121	2.8
147.04398	0.5
147.08046	0.9
153.06955	0.8
154.07780	0.4
155.08553	5.3
156.08827	0.2
157.06525	0.8
158.07272	4.4
159.04416	0.9
159.08075	1.5
160.05154	0.4
161.05922	0.2
169.10141	0.2
171.08105	0.3
172.08873	0.8
173.05981	0.9
173.09628	4.1
175.03867	0.9
175.07561	0.2
183.08049	5.0
184.08804	0.3
185.05922	0.7
186.06763	35.4
187.03908	0.2
187.07149	1.1
187.11218	0.3
197.09691	0.4
199.07544	2.3
200.06866	0.1
200.08328	5.7
201.09102	100.0
202.09438	2.6
213.05440	0.3
213.09085	0.3
215.10686	5.3
215.13983	0.8
216.10896	0.2
225.09070	0.3
227.07031	0.3
228.07822	3.5
234.75005	0.1
243.10175	50.0
243.13676	2.4
243.28772	0.2
244.10522	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1015
Annotation	4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
51.03762	0.1
52.25407	0.1
52.92696	0.1
55.01910	0.2
55.05550	0.3
57.07114	0.2
69.07127	0.4
70.89971	0.1
70.90297	0.3
79.05558	0.4
81.07136	0.5
88.44822	0.1
91.05489	1.7
93.07111	0.3
95.05025	0.1
103.05548	0.4
105.07114	0.5
107.04942	0.1
115.05464	1.2
116.06322	0.1
117.07043	1.4
119.04950	0.8
128.06229	1.6
129.07007	1.8
130.07858	0.2
131.04932	5.7
131.08650	0.5
133.06548	0.4
141.06992	2.1
142.07831	0.3
143.08604	0.4
144.05733	0.8
144.09480	0.3
145.06488	2.9
145.07460	0.2
145.10216	0.3
147.04420	2.7
147.05499	0.2
153.07016	0.9
154.07784	0.8
155.05003	0.3
155.06102	0.3
155.08553	1.3
156.05707	0.3
156.09407	0.4
157.06468	1.7
158.07355	0.4
159.04419	1.8
159.08157	0.3
159.11740	0.2
160.05197	0.2
163.03941	0.3
165.07086	0.4
166.07852	0.3
167.08675	0.2
168.05725	0.2
169.06610	0.5
169.10141	1.0
170.07364	0.2
171.04498	0.5
171.08061	1.0
172.05234	0.4
172.08818	1.1
173.05984	2.5
173.07321	0.2
175.03915	8.4
178.07690	0.1
179.08522	0.3
181.06575	0.5
182.07300	0.8
183.08076	2.3
184.08836	6.2
185.05981	2.0
185.09389	0.2
186.06824	0.2
187.03918	0.7
187.07622	0.4
187.11208	0.9
189.05470	1.0
197.05995	0.2
197.09717	0.4
198.06798	0.3
199.03944	0.4
199.07547	3.3
199.11182	1.6
200.04704	0.4
200.08391	1.5
201.05478	3.5
210.06628	0.2
211.07561	0.9
213.05476	2.9
213.09096	0.2
214.06134	0.3
215.07007	0.8
215.10706	0.4
225.09061	0.3
227.07030	4.7
228.07825	27.5
229.08163	0.8
241.08626	0.5
242.09410	0.5
243.10170	100.0
244.10486	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1016
Annotation	4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
54.33608	0.1
55.05582	0.3
57.03475	0.1
57.07146	0.3
64.19328	0.2
69.07117	0.3
74.79329	0.1
79.05583	0.5
81.07146	0.7
83.82599	0.1
91.05486	1.2
95.05030	0.2
103.05510	0.4
105.07146	0.4
115.05444	1.0
117.07036	1.7
119.04970	0.8
128.06250	1.5
129.07005	1.6
131.04938	5.9
131.08664	0.5
133.06554	0.3
134.47569	0.2
141.07001	1.6
142.07869	0.3
143.05156	0.2
143.08661	0.3
144.05814	0.7
145.06485	2.8
147.04407	2.7
153.07072	0.6
154.07771	1.1
155.05000	0.4
155.08667	0.7
156.05780	0.3
156.09412	0.4
157.06480	1.2
158.07361	0.5
159.04430	2.3
159.08218	0.4
163.04008	0.2
165.07082	0.5
167.08603	0.3
168.05692	0.2
169.06587	0.7
169.10208	0.5
170.07376	0.2
171.04462	0.5
171.08148	0.6
172.05196	0.3
172.08936	0.9
173.06009	2.6
175.03922	9.1
181.06554	0.6
182.07327	0.7
183.08078	1.9
184.08852	4.6
184.10443	0.3
185.06001	1.8
186.06821	0.4
187.03908	1.3
187.07593	0.4
187.11243	0.8
189.05492	1.1
197.09666	0.3
199.03984	0.5
199.07581	2.6
199.11172	1.5
200.04739	0.5
200.08382	1.5
201.05495	3.4
201.07396	0.2
201.09248	0.2
211.07594	1.0
213.05470	3.1
213.08934	0.2
214.06213	0.5
215.07069	0.8
215.10719	0.5
225.08969	0.2
227.07047	3.4
228.07841	23.0
229.08131	0.4
241.08673	0.4
242.09355	0.4
243.10184	100.0
244.10500	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1014
Annotation	Pterophyllin 1
Peak:m/z	Relative Intensity
51.22039	0.4
53.03924	0.8
56.18367	0.4
56.55408	0.4
57.07073	0.4
63.78629	0.4
65.03930	1.2
67.05511	0.5
69.07059	0.9
69.55013	2.4
79.05077	0.7
79.05492	9.8
81.07056	17.6
89.03921	0.9
91.05480	10.0
95.04974	0.8
95.08580	0.5
98.21513	0.6
103.05457	0.4
105.07061	0.7
107.04942	12.8
115.05470	0.6
117.06978	1.1
119.04932	11.9
121.10155	0.6
128.06192	1.0
129.06958	1.0
131.04921	2.5
131.08553	0.8
135.04384	0.7
141.06970	0.5
143.08588	0.5
145.02875	0.5
145.06488	1.5
147.04399	3.6
155.08517	0.7
157.06413	0.6
159.04413	3.8
163.03897	89.4
164.04245	1.8
169.06499	0.5
169.10121	0.5
173.06001	1.9
173.13330	0.6
175.03909	12.6
183.08022	0.7
184.08870	1.2
185.05962	0.5
187.03882	1.8
187.11122	0.6
189.05548	0.5
199.07544	0.9
201.05449	4.0
201.09016	0.7
213.05389	1.1
215.07034	2.8
227.07036	1.1
228.07785	7.3
239.03792	0.4
243.10175	100.0
243.21115	1.8
243.28693	0.8
244.10477	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	243.1015
Annotation	Pterophyllin 1
Peak:m/z	Relative Intensity
51.21658	0.1
55.01918	0.3
55.05554	0.4
60.91436	0.1
61.72328	0.2
65.03986	0.2
65.54942	0.2
65.59684	0.2
67.05529	0.1
69.07125	0.6
71.17749	0.4
79.05555	0.5
81.07121	0.6
91.05479	1.3
95.05064	0.2
103.05521	0.4
105.07070	0.2
115.05437	0.8
117.07037	1.3
119.04979	0.5
121.02889	0.2
128.06218	1.3
129.07008	1.3
130.07825	0.2
131.04924	6.1
131.08650	0.6
133.06551	0.2
141.06972	1.2
142.07838	0.3
143.08574	0.4
144.05763	0.6
145.06479	2.8
147.04422	2.7
153.07048	0.5
154.07770	0.8
155.04933	0.3
155.08556	0.8
156.05724	0.4
156.09424	0.3
157.06471	1.2
158.07321	0.3
159.04407	1.9
159.08157	0.4
159.11746	0.2
163.03929	0.2
165.07018	0.4
166.07892	0.2
167.08612	0.2
169.06522	0.7
169.10193	0.7
170.07188	0.2
171.04431	0.3
171.08112	0.7
172.05255	0.2
172.08821	0.9
173.05939	2.3
175.03906	8.0
179.08653	0.2
181.06509	0.6
182.07309	0.6
183.08064	2.0
184.08823	4.8
185.05949	1.8
186.06734	0.2
187.03925	1.0
187.07545	0.3
187.11185	1.1
188.04543	0.2
189.05547	0.6
197.09631	0.3
199.03885	0.3
199.07527	2.6
199.11201	2.3
200.04655	0.3
200.08406	1.4
201.05449	3.1
210.06715	0.2
211.07574	0.9
213.05464	3.1
213.09143	0.3
214.06236	0.4
215.07008	0.8
215.10695	0.4
225.08968	0.2
227.07025	3.7
227.09106	0.3
228.07816	23.3
229.08139	0.6
235.32864	0.2
241.08618	0.6
242.09387	0.5
243.10159	100.0
244.10510	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1015
Annotation	4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
53.03985	0.1
55.01892	0.2
55.05542	0.2
57.07126	0.3
60.20774	0.1
65.03993	0.2
66.80841	0.1
67.05547	0.2
67.62071	0.1
69.07061	0.5
70.25468	0.3
71.09312	0.1
79.05490	0.6
81.07044	0.6
91.05479	1.2
93.07114	0.1
95.05009	0.1
95.08691	0.1
103.05492	0.4
105.03392	0.1
105.07044	0.4
115.05443	0.8
116.06314	0.1
117.07013	1.5
119.04956	0.5
119.08621	0.2
127.05501	0.1
128.06224	1.4
129.07016	1.7
130.07796	0.1
131.04927	6.0
131.08638	0.4
132.05325	0.1
133.02890	0.1
133.06538	0.4
141.06985	1.7
141.07967	0.1
142.07814	0.3
143.05028	0.1
143.08589	0.6
143.09583	0.1
144.05688	0.5
144.09395	0.2
145.06483	2.7
145.10213	0.2
147.04408	2.6
147.05495	0.1
152.06247	0.1
153.07011	0.6
154.07793	0.6
155.04958	0.3
155.05988	0.2
155.08553	1.3
156.05765	0.3
156.09401	0.4
157.06488	1.3
157.07565	0.1
158.07295	0.4
159.04424	2.2
159.08109	0.4
159.11766	0.2
160.05238	0.3
161.06027	0.2
163.03938	0.2
165.07036	0.4
166.07884	0.1
167.08592	0.3
168.05701	0.1
169.06491	0.8
169.10130	0.7
171.04469	0.3
171.08023	0.7
172.05255	0.3
172.08853	1.1
173.05981	2.2
173.09579	0.2
175.03905	8.1
176.04245	0.2
178.69281	0.1
179.08672	0.2
181.06432	0.6
182.07253	0.8
183.08064	2.0
184.08829	4.3
185.05983	1.8
186.06711	0.2
187.03876	0.8
187.07561	0.3
187.11215	1.0
188.04652	0.1
189.05479	1.1
190.06294	0.1
197.05974	0.2
197.09676	0.4
198.06761	0.1
198.10005	0.1
199.03897	0.5
199.07547	3.1
199.11174	1.7
200.04440	0.5
200.08394	1.2
201.05460	3.2
201.09030	0.5
202.06114	0.2
210.06650	0.2
211.07538	0.9
213.05473	3.0
213.08800	0.2
214.06236	0.3
215.07094	0.8
215.10648	0.5
225.09076	0.4
227.07027	3.2
228.07819	23.0
229.08112	0.6
241.08502	0.5
242.09380	0.3
243.10162	100.0
244.10507	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1016
Annotation	4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
52.86396	0.1
54.50670	0.1
55.01861	0.5
55.05498	0.3
57.03422	0.2
57.07057	0.3
63.31139	0.1
65.03937	0.2
67.05489	0.4
69.03408	0.1
69.07070	0.8
69.31016	1.1
70.06576	0.2
71.05048	0.1
73.44899	0.1
79.05489	0.7
79.05851	0.1
81.07051	1.0
85.06570	0.1
86.43518	0.1
91.05479	1.2
93.07030	0.3
95.01305	0.2
95.04949	0.3
95.08556	0.2
103.05438	0.3
105.03376	0.3
105.07040	0.6
106.33813	0.1
107.08609	0.2
109.06548	0.1
115.05447	0.9
117.07026	1.4
119.04938	0.6
119.08566	0.3
121.02834	0.1
121.06471	0.2
121.10149	0.2
128.06213	1.5
129.07005	1.7
131.04929	6.8
131.08548	0.4
133.06535	0.2
135.04398	0.5
141.05457	0.2
141.05884	0.1
141.06984	1.3
142.07735	0.3
143.08575	0.6
144.05688	0.7
144.09341	0.2
145.06493	2.8
145.10123	0.5
147.04405	2.5
147.11661	0.1
153.06972	0.6
154.07735	0.6
155.04883	0.3
155.05997	0.2
155.07291	0.2
155.08528	0.9
156.05707	0.4
156.09340	0.4
157.06461	1.2
157.10077	0.4
158.07248	0.3
159.04420	2.0
159.08028	0.3
159.11687	0.4
161.13280	0.1
163.03880	0.1
165.06984	0.3
169.04953	0.4
169.06490	0.6
169.10104	0.7
170.07257	0.2
171.04466	0.5
171.08031	0.7
172.05211	0.6
172.08839	0.6
173.05981	2.3
173.09569	0.3
173.13219	0.2
175.03912	7.3
176.04277	0.1
179.08536	0.1
181.06458	0.5
182.07317	0.7
183.08057	1.7
183.11650	0.1
184.08836	2.6
185.06006	1.8
186.06813	0.2
187.03935	0.8
187.07507	0.4
187.11215	1.1
187.14818	0.2
189.05479	0.8
197.06004	0.3
197.09552	0.3
199.03850	0.5
199.07558	2.5
199.11179	2.1
200.04654	0.4
200.08311	1.0
201.05486	2.6
201.09097	0.4
210.06625	0.2
211.07495	1.4
213.05463	3.2
213.08844	0.2
214.06186	0.2
214.42390	0.1
215.07071	0.6
215.10664	0.6
216.11006	0.1
225.09196	0.3
227.07037	3.0
228.07816	14.7
229.08133	0.3
241.08557	0.6
242.09473	0.3
243.10164	100.0
244.06488	0.2
244.10500	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	242.081
Annotation	1,3-Dihydroxy-N-methylacridone
Peak:m/z	Relative Intensity
56.22128	0.2
57.21148	0.3
62.18041	0.2
69.85629	1.3
74.56207	0.3
105.17977	0.3
123.51221	0.2
168.08087	0.8
172.07649	1.5
173.08377	1.4
174.09157	0.4
186.05403	0.3
196.07550	1.6
199.06314	0.6
200.07065	6.8
214.08470	0.3
224.07123	0.6
227.05765	11.6
228.06157	0.2
242.08110	100.0
243.08438	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1174
Annotation	(S)-N-Benzoyl-2-hydroxy-2-phenylethylamine
Peak:m/z	Relative Intensity
50.01601	0.2
51.02375	0.7
51.54135	0.2
53.03946	3.8
55.01884	0.4
59.10428	0.2
71.18918	0.4
71.48924	0.2
77.03918	0.9
79.05486	0.7
81.03408	0.5
84.08141	0.2
91.04897	0.4
91.05475	6.8
92.34781	0.2
93.07043	11.1
94.07377	0.2
95.04966	6.5
101.10169	0.2
103.05465	8.4
105.03388	100.0
105.04529	2.7
106.03696	1.2
121.06499	73.0
122.06019	1.5
122.06837	0.6
138.47574	0.2
148.07605	0.5
148.68077	0.2
172.07547	0.3
207.06453	0.4
225.01320	0.2
242.08060	0.6
242.11758	13.3
243.12132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.081
Annotation	1,3-Dihydroxy-N-methylacridone
Peak:m/z	Relative Intensity
70.21326	0.6
87.73298	0.2
87.97348	0.2
98.21535	0.2
108.95940	0.2
157.49338	0.2
168.08063	0.3
171.06793	1.8
178.13522	0.2
181.05162	0.3
182.05968	1.1
186.05624	0.3
196.07649	0.4
198.05461	0.7
199.06291	19.1
200.06808	0.3
209.04710	0.5
210.05452	0.7
214.08665	0.2
224.07080	0.2
227.05760	6.4
242.08116	100.0
243.08403	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	242.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.5
56.96563	11.3
57.03436	0.4
58.06598	30.5
59.06924	0.4
64.10169	0.4
69.03398	0.9
69.83474	1.8
69.83878	0.7
70.06569	1.7
71.95223	0.6
72.08158	3.2
72.96022	0.5
73.02900	0.6
81.03404	0.4
83.06083	1.5
84.08141	9.7
84.96029	1.0
85.02888	1.3
97.02868	1.2
98.09676	1.7
98.97581	38.8
100.11260	3.5
101.00830	0.4
109.99141	0.4
110.97539	1.4
112.99080	0.4
116.00182	0.4
116.07092	1.0
116.31250	0.4
116.98618	21.7
119.01905	1.0
126.09156	3.0
128.98592	1.5
129.10236	0.4
131.00165	0.7
134.99648	6.5
138.02254	0.4
140.00185	0.8
143.00166	0.6
146.99612	1.1
153.00691	1.0
154.05370	1.7
158.01288	0.6
158.99661	0.6
161.01242	0.8
161.05614	0.6
168.03403	0.7
172.06468	2.1
177.00763	0.6
184.06448	0.7
186.04370	1.1
187.02773	0.8
188.05939	1.2
190.07568	0.4
191.03923	0.7
198.04401	2.5
198.07964	0.5
199.01517	1.8
200.04430	0.5
200.05966	7.7
202.07516	0.5
204.05394	0.6
216.05429	2.4
216.09067	0.6
217.02596	1.6
218.06993	8.6
219.01767	1.2
234.06375	0.8
237.02785	1.6
242.06993	100.0
242.15584	1.7
243.07275	1.4
260.08060	81.5
261.08337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2162
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
55.05272	0.6
55.05513	8.1
57.03425	0.8
57.07074	3.1
57.16027	0.5
59.04997	0.5
67.05503	7.5
69.07070	11.8
69.57202	3.2
71.04995	5.0
71.08619	1.1
79.05490	3.0
81.07059	12.0
83.04987	0.8
83.08160	0.5
83.08622	6.9
85.06544	14.3
85.10172	1.1
89.59908	0.4
89.85596	0.4
91.05481	1.2
93.07042	9.7
95.04984	0.7
95.08609	15.7
97.06535	1.3
97.10168	4.3
99.08086	4.1
105.03384	0.7
105.07004	1.4
107.07875	0.9
107.08595	15.2
109.10162	14.2
111.08082	2.2
111.11731	1.1
111.87039	0.4
113.09641	0.9
119.08636	1.1
121.06485	0.5
121.10146	14.5
123.10819	1.0
123.11700	12.6
125.09612	1.0
127.11240	0.8
128.06255	0.6
129.07008	0.7
132.13774	0.6
135.11687	7.8
137.13264	4.4
139.11160	0.5
141.06987	0.8
142.07771	1.1
143.08421	0.5
149.13268	10.6
153.12801	1.1
157.10010	0.7
163.14819	4.0
165.07036	0.5
165.16391	1.1
167.14319	6.7
168.08092	1.4
169.06470	0.5
171.08064	0.8
172.07584	0.8
173.08456	1.1
174.09238	0.8
175.03891	0.7
177.16359	1.7
179.17889	1.3
181.15877	1.6
185.13281	0.6
195.08043	0.5
196.07591	2.0
197.06142	0.6
198.06813	2.2
199.04121	0.7
200.07072	7.1
205.19527	11.3
206.25996	0.5
213.08997	0.8
214.08618	1.1
223.20543	10.9
226.06200	4.8
227.05774	12.8
241.08672	7.0
241.12286	0.7
241.15874	1.1
241.19574	0.8
241.21631	9.2
242.08121	100.0
242.28473	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
55.05500	0.3
56.96555	1.4
57.03442	0.2
58.06597	15.0
61.02928	0.2
67.05510	0.2
68.05020	0.2
69.03420	0.6
69.07066	0.3
69.77810	1.1
70.06593	3.1
71.04988	0.4
72.08131	0.5
73.02901	0.2
74.06068	0.4
78.03928	0.2
81.03400	0.6
83.04965	0.2
84.08138	8.7
84.96008	0.3
85.02888	0.8
85.06548	0.3
85.08492	0.3
95.06061	0.4
97.02880	0.4
98.06085	0.3
98.09707	1.1
98.97580	2.0
100.11227	0.4
110.07166	0.4
112.08705	0.3
112.99107	0.3
114.05520	0.5
116.07074	0.6
116.98615	1.4
126.05510	0.2
127.03867	0.3
128.10718	3.0
128.98563	0.3
131.00139	0.5
134.06018	0.2
134.99608	0.3
144.10179	1.2
150.09134	0.2
152.10648	0.3
158.99643	0.4
163.12141	0.2
164.07063	1.7
168.10178	0.9
177.00714	0.4
196.09679	4.7
213.15849	0.4
223.11282	0.2
225.56685	0.4
237.02911	0.5
240.57312	1.6
241.15459	100.0
242.06953	0.3
242.15773	1.5
242.18501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57282	0.2
53.03931	0.3
54.33234	0.2
55.01855	0.3
55.05509	1.0
56.05027	0.4
56.96564	9.6
56.96849	0.5
57.03420	0.8
57.07063	0.3
58.06598	19.4
59.04991	0.4
60.04523	0.2
60.95850	0.2
61.02921	0.9
67.05499	0.4
68.05017	0.4
69.03429	1.4
69.07061	0.4
70.06591	5.7
70.12579	0.6
70.98118	0.2
71.04986	0.7
71.95243	0.6
72.08146	1.7
73.02549	0.2
73.02926	0.9
74.06078	0.3
80.05046	0.2
81.03394	0.8
81.04526	0.2
81.07037	0.7
82.06582	0.5
83.04964	0.8
83.06107	1.0
83.97659	0.2
84.04486	0.5
84.08139	12.3
84.96002	0.5
85.02910	2.3
85.06537	0.3
86.06059	0.3
86.09692	1.2
87.04462	0.2
89.00780	0.2
91.05486	0.3
93.03716	0.2
95.04971	0.4
95.06094	3.6
95.08652	0.2
97.02895	1.6
98.06071	0.5
98.09698	1.6
98.97582	18.0
99.04446	0.8
100.11234	0.7
101.00862	0.3
105.03394	0.3
107.04944	0.2
108.08086	0.3
109.02899	0.3
110.06021	0.3
110.07147	1.5
110.97575	0.6
112.08723	1.7
112.99110	0.4
114.05521	0.3
116.00188	0.4
116.07079	0.7
116.10738	0.3
116.98618	16.1
119.00243	0.2
119.01916	0.9
120.08105	0.3
121.01701	0.2
123.04398	0.2
124.03867	0.2
124.07582	0.3
125.07114	0.2
126.05489	0.7
126.09163	0.2
127.03907	0.8
128.02364	0.3
128.07127	0.3
128.10716	3.4
128.98602	1.1
129.10222	0.9
130.93251	0.2
131.00183	0.4
131.01866	0.4
133.01700	0.4
133.03542	0.2
134.01285	0.2
134.06021	1.2
134.99652	10.3
136.06154	0.4
136.07571	1.3
140.00131	0.6
143.00172	0.5
143.01823	0.4
144.10204	1.2
145.03323	0.3
145.05008	0.3
146.08083	0.4
146.99641	0.7
147.03122	0.4
147.05722	0.5
148.03867	0.8
149.01180	0.5
151.02776	0.2
152.07063	0.4
152.10689	0.3
153.00691	1.6
154.03848	0.3
154.08569	0.3
156.07695	0.2
157.04454	0.4
158.01295	0.9
158.08109	0.2
158.99626	0.7
161.01192	0.5
161.02945	0.7
161.04573	0.5
163.02647	0.3
163.04250	0.3
163.08662	0.6
163.12273	1.0
164.07062	18.9
165.00647	0.3
168.03532	0.2
168.10202	1.1
169.04422	0.3
170.05191	1.0
170.99667	0.5
173.01244	0.4
173.02959	0.2
174.04398	0.4
174.97650	0.4
175.02789	0.3
177.00722	0.9
177.04218	0.4
178.04936	0.5
179.02246	0.3
181.09705	1.0
182.08073	0.2
184.05037	0.3
188.05890	0.4
189.00743	0.4
189.04453	0.3
190.01358	0.2
190.95413	0.3
192.05251	0.2
192.98691	0.4
193.13261	0.3
195.07771	0.2
196.09691	5.0
197.01164	0.2
198.20551	0.2
199.03923	0.4
200.02222	0.3
201.00716	0.5
201.04337	0.2
210.15999	0.7
213.16066	0.5
216.98505	0.4
217.00232	0.5
218.03339	0.3
218.06975	0.4
219.01802	1.2
221.04968	0.2
223.10745	1.7
225.15941	0.3
226.50638	0.2
232.06020	0.5
232.96358	0.2
233.63805	0.2
237.02867	1.2
240.57330	0.3
241.15460	100.0
242.03413	0.4
242.07109	2.2
242.09305	0.4
242.15746	1.5
242.18631	3.1
251.04309	0.8
255.03870	0.3
258.99722	4.3
259.06473	0.2
260.00085	0.4
260.08063	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	241.0859
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
50.72683	0.2
53.88170	0.2
54.14657	0.2
55.05505	0.7
57.07065	0.4
65.05238	0.2
67.05507	1.2
67.33283	0.2
68.99792	0.3
69.07066	0.6
70.97324	0.2
70.97652	0.5
71.04979	0.3
79.05506	0.8
81.07051	1.0
83.08614	0.5
86.08599	0.2
89.49480	0.2
91.05483	0.8
91.79053	0.2
93.03705	0.5
93.07053	0.9
95.01338	0.9
95.08597	0.8
97.06512	0.3
98.40414	0.2
105.07032	0.5
106.08192	0.2
107.08541	0.4
109.10225	0.3
115.05429	0.3
116.97195	0.6
117.07040	1.3
118.30383	0.3
119.08581	0.5
121.10149	0.6
123.11605	0.2
128.06201	0.9
129.06990	1.9
131.04977	0.5
131.08585	1.2
133.10170	0.4
134.64793	0.2
135.11708	0.2
141.06976	1.7
141.63028	0.2
142.07776	3.1
143.08614	1.8
145.06450	0.3
145.10162	1.2
147.04408	0.5
147.11650	0.4
152.06212	0.8
153.06990	1.2
154.07776	0.6
155.04916	0.6
155.08551	1.0
157.10118	2.2
159.11702	1.2
165.07025	0.7
167.08578	0.7
169.06424	1.2
169.10027	0.3
170.07268	1.6
171.04356	0.4
171.07977	0.5
171.11726	1.9
173.05956	0.2
173.13228	1.2
175.03929	1.9
181.06401	1.4
182.07278	7.3
183.03012	0.3
183.04401	1.6
183.08025	0.5
184.05252	0.3
185.06015	0.9
185.09627	9.8
185.13170	2.0
187.03903	0.6
195.08063	1.3
197.05956	2.4
197.09737	0.3
198.06763	12.4
199.03938	1.5
199.07516	1.0
199.13220	0.2
199.14815	1.2
209.05980	0.3
210.06808	0.4
213.05434	0.6
213.09128	4.3
216.50389	0.2
223.07588	1.2
225.05426	0.8
226.06242	30.6
227.06538	0.9
241.08591	100.0
241.19485	7.6
242.08775	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	241.0857
Annotation	Malaphylidin
Peak:m/z	Relative Intensity
53.03936	1.2
55.01874	2.6
55.05498	1.5
60.22981	0.4
65.03938	0.7
65.66074	0.4
67.05494	1.5
68.96831	0.4
69.03426	1.1
69.07082	0.4
69.77637	2.4
71.51599	0.4
79.05486	1.4
81.03419	2.9
81.07041	0.6
83.01332	0.4
91.05483	1.6
95.01318	1.9
95.04959	1.8
98.20850	0.8
103.05454	1.5
107.04954	0.5
109.02853	0.8
115.05448	8.0
117.07037	1.0
117.35424	0.4
117.42056	0.4
119.04967	0.8
127.05455	0.6
128.06218	22.2
129.07037	4.9
131.04921	11.4
133.02844	0.5
138.51120	0.4
141.04887	0.4
141.06987	6.1
142.07787	8.2
143.04936	2.6
143.08556	23.2
144.05754	0.8
145.06490	6.5
147.04388	1.6
152.06192	6.3
153.06973	4.9
154.07762	0.6
155.04889	1.9
155.06058	1.3
155.08542	1.5
156.05698	3.9
157.06506	4.2
157.10095	3.5
159.04413	14.4
163.03932	1.2
165.06972	1.9
166.07756	0.6
167.08549	4.2
169.06490	5.3
169.10065	0.5
170.07320	3.8
171.04433	8.9
171.08044	60.9
172.08418	0.7
173.05989	0.7
175.03853	3.0
177.06915	0.5
181.06453	5.7
182.07237	1.4
183.04430	0.5
183.08066	0.9
184.05196	28.4
185.06001	2.8
185.09612	5.7
187.03922	1.6
195.08028	5.0
197.05948	3.7
198.06750	7.8
199.03900	13.0
199.07532	100.0
200.04666	0.9
200.07878	2.4
205.06406	0.6
207.50513	0.5
209.07108	0.9
211.07523	0.5
213.05652	2.8
213.09093	11.3
223.07515	2.8
225.05513	0.7
226.06219	13.2
241.08586	54.1
242.08192	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	240.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77261	0.6
52.03857	0.5
55.05518	0.6
56.05053	1.3
56.96572	1.4
57.03449	1.0
57.07084	0.6
58.99608	0.7
65.02651	0.5
65.03957	0.9
67.05508	1.0
68.05039	1.1
69.03445	1.1
69.07099	0.6
70.02969	0.5
70.06589	4.4
71.05005	1.0
71.51253	0.8
71.98292	0.5
72.08183	1.5
74.06081	8.6
76.97135	0.6
79.05502	3.4
81.07083	1.8
83.06139	1.0
84.04524	1.5
84.08151	3.7
85.02930	2.4
85.06532	0.8
86.09715	1.3
87.85722	0.6
91.05479	6.9
92.07124	0.8
93.03753	0.6
93.07044	1.1
95.04984	0.6
98.97630	2.2
103.05463	7.5
103.06058	0.6
105.07032	29.8
106.07424	0.6
107.04969	3.7
108.04576	0.5
110.06033	3.8
113.03509	2.8
114.03867	1.3
115.05460	1.9
116.98667	0.6
117.05772	3.0
117.07047	0.9
118.06576	1.2
119.04949	0.7
119.07339	2.4
120.08103	13.8
121.08473	0.7
123.02625	0.7
126.05553	0.9
126.06661	1.7
128.06256	1.0
129.07007	9.2
129.10266	1.6
130.06523	6.8
131.04921	2.2
131.07303	0.7
131.08586	2.1
132.08090	33.8
134.09653	10.3
134.99649	0.5
135.06813	1.0
136.07596	1.5
141.06999	0.7
143.07327	1.9
146.09636	7.3
148.07545	0.5
149.05945	0.7
150.09119	0.7
151.02150	6.2
152.02347	0.9
158.09683	2.7
161.01726	0.6
170.10400	0.7
175.54585	0.6
176.10704	9.7
177.00722	1.0
178.08633	1.7
192.10178	0.7
194.11766	100.0
195.12096	2.4
197.86363	0.7
204.06610	0.5
222.11205	3.1
240.06987	2.8
240.12274	54.3
241.06523	1.1
241.12523	2.3
241.15109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01614	0.2
51.02382	0.4
53.03712	0.2
53.03944	3.0
55.01864	0.2
55.73210	0.1
66.87814	0.1
69.07041	0.1
70.06597	0.2
70.17837	0.3
70.18235	0.2
72.08134	0.1
77.03917	0.7
79.74559	0.1
81.03426	0.4
81.07068	0.1
82.07476	0.2
86.09721	0.1
91.05486	0.2
95.04966	6.1
98.21459	0.2
105.03389	100.0
106.03745	1.0
119.04900	0.2
121.02897	0.1
146.05920	0.1
196.16968	0.2
197.09689	0.2
212.10815	0.2
225.99155	0.1
236.69220	0.1
240.10182	6.0
240.19492	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1018
Annotation	Muricatisine
Peak:m/z	Relative Intensity
50.01603	0.2
51.02385	0.4
53.03708	0.3
53.03946	3.3
55.01863	0.2
67.05494	0.2
70.06583	0.1
70.44823	0.5
72.08148	0.2
77.03912	0.9
81.03409	0.3
81.07070	0.2
93.07076	0.1
95.04967	5.6
95.08587	0.2
103.16856	0.2
105.03389	100.0
106.03696	1.0
121.02869	0.4
124.07606	0.2
145.62067	0.1
151.87863	0.2
173.53873	0.2
196.16957	2.7
197.09633	0.2
240.10175	5.7
240.15904	0.3
240.19572	1.8
244.77821	0.1
249.67302	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	239.2004
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05510	36.1
57.03440	4.2
57.07079	28.2
59.05004	28.3
67.05499	26.9
68.44039	4.5
69.03417	4.7
69.07067	48.6
69.36860	15.7
69.37292	21.2
71.05005	10.4
71.08602	5.2
78.83961	4.0
79.05475	13.6
81.07063	85.0
83.04961	4.6
83.08619	24.4
85.06539	12.6
86.09685	16.4
89.06021	4.7
91.05465	9.4
93.07036	22.1
95.04961	5.5
95.08607	100.0
97.06530	18.1
97.10157	19.0
97.80582	4.1
99.39056	3.8
105.03384	15.2
105.07027	17.9
107.08578	41.9
107.89229	4.4
109.06499	8.3
109.10156	57.0
111.08082	9.0
111.11720	11.1
119.08572	32.8
120.40225	3.9
121.10108	32.8
123.08070	9.3
123.11687	31.2
124.60102	4.4
125.09623	11.8
127.11201	6.2
133.10121	26.3
135.11638	29.9
137.09576	4.6
137.13251	70.0
139.11177	17.6
143.10721	6.7
147.11658	27.1
149.13281	14.3
151.11197	11.9
153.12779	5.8
155.08495	4.1
161.13274	12.4
163.14825	27.0
165.12767	5.4
169.10139	6.7
175.04007	4.5
175.14888	5.1
177.16359	7.8
183.80823	5.0
193.19609	6.3
203.17932	40.6
221.19037	47.4
239.14346	6.6
239.17972	7.5
239.20058	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	237.1848
Annotation	Godotol A
Peak:m/z	Relative Intensity
55.01844	2.4
55.05510	10.6
57.03428	3.8
57.07081	7.9
63.66506	1.5
64.27016	2.1
65.50692	1.7
67.05507	23.1
68.99761	1.7
69.07055	12.5
70.19593	8.4
71.04982	7.1
71.08604	1.7
73.06513	2.1
74.88702	1.7
75.04470	2.6
79.05499	15.8
81.07057	52.2
83.04977	7.7
83.08622	9.6
85.06554	3.0
91.05483	18.1
93.07047	40.9
95.04964	5.4
95.08604	69.5
97.06528	6.5
97.10181	5.2
99.08111	1.9
105.07037	45.7
107.08595	51.4
109.06517	5.6
109.10157	36.0
109.10844	3.3
111.04441	8.5
111.08085	7.6
115.07568	1.8
117.07014	5.5
118.06590	2.4
119.08581	40.5
121.06554	1.8
121.10152	24.2
123.08077	7.2
123.11717	4.2
125.05972	3.1
125.09652	12.4
127.82061	1.7
131.08580	14.8
133.10153	14.3
135.08061	2.9
135.11714	10.5
137.09633	10.3
144.09322	2.2
145.10124	42.8
147.11670	10.0
149.02293	2.5
149.09598	3.9
149.13295	8.1
153.05463	6.5
159.11708	33.2
159.12900	1.3
161.13271	31.3
163.11176	2.8
163.14825	7.0
173.13235	15.4
175.14848	6.3
177.12769	2.1
177.16380	4.2
179.14296	1.9
189.16403	7.8
191.10675	5.7
191.14354	3.4
191.17937	8.4
201.16376	81.5
202.16772	1.8
207.02852	5.3
209.11682	18.3
219.17448	100.0
237.05466	3.3
237.07460	12.0
237.11057	2.6
237.14778	4.4
237.18509	64.0
237.22218	5.3
238.18802	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1277
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
53.03934	18.5
55.01862	14.5
55.05508	29.9
57.03420	17.1
57.07064	15.5
58.06590	6.7
58.54677	6.7
59.04988	11.1
67.05243	6.1
67.05506	67.1
69.03432	34.7
69.07076	32.3
69.61820	14.6
69.62231	34.6
70.06593	52.8
71.04989	47.4
72.08130	19.4
79.05489	29.1
79.18475	5.4
79.28257	6.0
81.03416	53.1
81.07063	99.3
82.12105	6.0
83.04995	42.0
83.08629	11.7
84.08128	25.6
85.02903	18.9
85.06556	35.1
86.09695	11.2
89.06005	25.8
91.05477	30.3
93.07034	42.0
95.01299	7.5
95.04974	68.9
95.08609	100.0
97.06516	21.3
98.20667	7.3
99.04468	51.7
99.08073	43.7
100.85767	5.8
103.05489	7.2
105.07023	48.6
107.04926	19.5
107.08584	33.4
109.02885	17.1
109.06518	76.6
109.09452	5.3
109.10145	28.9
111.04428	19.6
111.08024	18.0
112.06808	5.8
113.06003	66.9
117.07007	9.4
119.08581	45.7
120.08108	8.9
121.02820	11.6
121.06502	25.3
121.10130	28.2
123.04372	12.2
123.08054	56.8
123.11671	10.7
125.06004	14.0
125.09589	8.7
127.03822	7.4
129.10284	11.7
131.08484	8.3
133.06497	11.5
133.08614	13.5
133.10126	63.1
135.08023	22.4
135.11688	22.5
137.02295	6.6
137.05977	35.6
137.09599	28.6
138.06677	9.3
138.10368	8.9
139.07552	15.8
139.11160	8.0
140.08293	13.0
141.09088	53.7
142.07761	11.6
145.10100	8.6
147.04359	6.9
147.11674	40.2
149.09604	14.3
149.13348	7.5
151.07494	15.3
151.11166	27.8
157.10120	12.3
160.08907	6.7
161.06006	13.0
161.09610	33.2
163.07619	10.3
165.05463	34.7
165.12698	8.7
167.07019	8.3
169.08595	16.7
169.09998	7.9
175.11194	67.8
177.12708	17.9
179.10646	26.8
181.08606	6.8
193.12216	47.7
197.08148	38.2
203.10661	38.1
206.02200	7.7
209.00917	12.5
221.08115	9.8
221.11693	55.6
239.05453	28.1
239.09050	31.4
239.12675	34.8
240.89864	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	237.1847
Annotation	Sirenin
Peak:m/z	Relative Intensity
52.00778	0.5
53.03933	0.9
55.01875	0.6
55.05513	5.2
57.07061	2.1
59.04989	2.2
67.05508	4.0
69.07067	4.3
71.04993	30.0
71.08632	0.5
71.53247	0.8
79.05499	2.9
81.03410	1.9
81.07050	9.8
83.04978	6.4
83.08627	2.3
84.72324	0.5
85.06541	5.6
91.05486	2.3
93.07037	5.5
95.04968	1.3
95.08615	6.1
97.06527	2.0
97.10164	1.2
99.04453	100.0
99.08047	0.9
100.04811	0.6
101.06011	6.6
105.07018	8.4
107.08599	5.9
109.06522	1.4
109.10154	3.7
111.04443	0.8
111.08086	1.7
117.06989	1.6
119.08578	10.1
121.10130	5.7
123.08050	0.9
123.11717	4.1
125.09635	0.9
127.07445	1.1
131.08539	2.5
133.10127	4.5
135.07964	0.6
135.11696	3.0
137.09576	0.5
137.13251	1.0
139.11118	0.7
143.08554	0.6
144.09349	0.9
145.10144	6.6
147.11668	1.3
149.09604	1.0
149.13264	1.5
151.11198	1.4
153.12723	0.5
159.11690	16.4
161.13254	17.0
163.11137	2.5
166.81902	0.6
167.14157	0.6
173.13284	2.2
175.14845	1.6
176.35631	0.5
177.12723	1.6
177.16432	1.2
179.14284	4.4
181.12204	3.8
191.10579	0.6
191.14302	0.9
191.17833	0.7
201.16360	11.0
207.02904	0.7
209.11725	1.2
219.17427	10.1
219.20958	0.8
237.05576	0.6
237.07555	3.4
237.12762	0.9
237.14716	1.2
237.18515	17.4
237.21967	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	237.1848
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03922	5.0
55.01859	5.9
55.05510	16.8
55.55252	1.9
57.03419	5.7
57.07068	5.0
59.04978	6.9
64.73656	2.1
65.03912	3.0
67.05508	23.3
69.03088	3.3
69.03426	34.2
69.07065	18.7
69.30660	13.8
69.31066	4.6
70.06583	3.0
71.04612	2.9
71.04992	55.0
71.12031	1.9
72.08131	6.1
76.84561	2.0
79.05494	27.1
81.03406	2.8
81.07055	94.8
83.04962	9.1
83.08595	8.5
84.08119	3.3
84.88239	1.8
85.02892	3.0
85.06515	5.1
86.09679	2.1
91.05469	24.1
93.06480	3.2
93.07038	40.8
95.04978	21.0
95.08611	35.0
97.06531	15.0
97.10148	7.7
98.97565	4.5
99.04422	2.6
99.08076	14.8
103.05445	2.8
105.03397	3.6
105.07031	38.5
107.04929	6.0
107.08590	49.3
109.02845	2.4
109.06509	28.4
109.10150	42.4
111.08071	8.9
113.09675	2.4
115.05425	3.4
116.06283	2.4
116.98645	2.3
117.06984	6.1
119.08578	26.6
120.08106	3.9
121.02891	2.7
121.06503	5.5
121.10149	24.2
123.08092	10.2
123.11702	15.7
125.08810	2.2
125.09604	13.6
127.07545	8.1
127.11192	53.2
127.12080	2.0
129.07005	3.3
130.07826	2.4
131.04915	5.5
131.08578	15.4
133.10121	50.2
135.08006	4.6
135.11693	19.4
137.06010	2.4
137.09599	6.8
139.11183	7.0
143.10732	9.6
144.05727	4.0
145.10117	36.4
146.05939	3.2
147.04396	6.6
147.08034	3.1
147.11693	10.6
149.02315	6.2
149.09599	6.7
149.13232	7.0
151.03746	2.1
151.07555	4.0
151.11172	100.0
152.11501	2.3
153.12703	5.2
155.10681	20.9
159.04462	2.3
159.08020	2.8
159.11674	16.8
161.09543	3.3
161.13216	13.2
163.11160	4.9
173.09641	4.9
173.13243	6.9
175.07535	2.6
175.14835	4.7
177.05437	4.8
177.09105	6.6
177.12770	3.3
177.16354	3.3
191.07028	2.8
191.08592	2.2
191.10614	3.5
191.14323	3.2
191.17847	3.3
192.10231	2.0
194.07179	4.4
201.09116	2.8
201.12749	3.4
201.16382	16.8
207.02798	2.7
218.11859	1.9
219.06352	3.4
219.08214	3.0
219.10066	3.6
219.13914	2.1
219.17415	16.6
222.04967	2.1
237.07310	12.3
237.11256	9.1
237.14877	7.9
237.18492	30.3
237.22157	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	237.1847
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.01882	2.4
55.05507	10.1
57.03433	4.4
57.07071	4.5
59.05010	1.5
67.05508	13.7
69.03429	35.5
69.07066	12.8
69.40955	5.0
69.41380	4.7
71.04993	66.4
71.08630	1.1
72.18767	1.3
73.06564	2.4
79.05499	15.0
81.07054	56.0
83.04964	3.4
83.08633	4.0
84.08118	1.2
85.06542	5.1
91.05481	11.2
93.06479	2.2
93.07044	27.1
95.04984	9.5
95.08611	16.3
97.06523	9.0
97.10172	3.5
98.20770	2.5
98.27743	1.1
99.04482	1.7
99.08103	14.4
105.06326	2.0
105.07027	31.8
105.07695	2.2
107.04942	1.2
107.08598	28.0
109.06522	28.6
109.10159	26.6
111.08086	3.8
113.06024	1.2
113.09624	2.0
117.07021	2.7
119.04932	1.7
119.08584	12.1
121.06554	2.3
121.10143	12.5
121.50830	1.1
123.08065	7.3
123.11716	18.5
124.07746	1.1
124.12325	1.2
125.09655	10.2
127.07553	5.4
127.11192	72.5
131.08562	6.3
133.10130	47.9
135.11685	5.0
137.09625	2.3
139.11201	7.2
143.08423	1.5
143.10683	15.0
145.10110	27.3
147.11681	6.6
149.13269	4.7
151.11180	100.0
152.11560	2.4
155.10666	27.8
159.11691	8.3
161.13275	3.2
163.07527	1.9
163.11140	2.2
172.46823	1.2
173.13275	2.2
175.14871	3.3
177.05528	2.6
177.12724	2.5
179.08521	1.7
187.07513	1.2
190.07906	1.3
191.17981	2.9
201.12735	1.8
201.16364	9.1
216.48091	1.7
219.13872	1.7
219.17429	8.5
222.10339	3.4
228.37585	1.2
237.07584	4.3
237.12788	4.6
237.14868	2.8
237.18533	22.4
237.22020	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1846
Annotation	Sirenin
Peak:m/z	Relative Intensity
54.57431	2.5
55.05501	15.5
57.03421	5.2
61.01995	2.9
67.05486	11.8
67.44382	2.6
69.03419	28.0
69.07044	11.9
69.23837	29.4
69.24220	6.1
71.04993	71.1
79.05470	12.1
81.07047	41.4
83.04959	6.8
83.08591	3.7
85.06535	6.6
91.05466	9.6
93.07044	21.0
95.04946	8.9
95.08599	11.7
97.06519	6.4
99.08101	18.6
99.82571	3.2
103.50583	2.8
105.07040	27.8
107.08600	22.6
109.06525	23.4
109.10156	25.7
119.08554	10.8
121.10144	17.7
123.08070	4.0
123.11691	12.6
125.09625	11.1
126.72834	2.9
127.07552	7.1
127.11189	71.5
131.08588	5.4
133.10130	45.1
135.11676	3.6
138.47453	2.8
139.11156	11.0
143.10646	12.6
145.10118	24.6
147.11653	7.7
149.13194	3.5
151.11174	100.0
155.10658	21.6
159.11649	9.5
177.16382	3.3
201.16321	6.7
207.44740	2.7
219.17439	11.4
237.03818	5.0
237.18481	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	(-)-Tremediol
Peak:m/z	Relative Intensity
53.03938	2.3
55.01867	1.6
55.05505	13.4
55.30809	1.5
57.02318	1.5
57.03426	2.6
57.07056	3.2
59.05001	3.6
67.05508	20.6
69.03425	6.6
69.07072	12.1
70.31776	4.7
71.04996	33.3
79.05131	1.5
79.05502	14.1
81.06589	2.5
81.07058	45.2
82.07372	1.4
83.04964	3.1
83.08613	6.5
85.06538	3.0
85.27608	1.3
86.61916	1.5
91.05482	31.0
93.07046	75.5
95.04968	9.7
95.08608	41.9
97.06519	4.7
97.10184	3.4
98.20866	1.9
99.08086	16.9
102.25497	1.3
105.07035	87.0
107.04935	3.4
107.08588	31.1
109.06516	10.0
109.10161	24.0
111.08055	5.1
113.09623	3.6
117.07024	9.1
119.08591	17.9
121.06554	1.6
121.10153	20.6
123.08077	5.1
123.11713	17.6
125.09646	7.6
127.07504	3.2
127.11205	11.6
131.08574	15.0
132.53088	1.6
133.10133	100.0
134.10541	1.6
135.08055	2.2
135.11697	14.0
137.09630	3.6
139.11168	6.6
143.10710	1.5
145.10121	19.0
147.11708	16.7
149.09641	3.1
149.13260	8.1
149.90015	1.8
151.11185	62.8
155.10681	3.5
159.11699	13.8
161.13283	8.0
163.11200	4.2
173.13251	18.9
175.14844	4.1
176.48119	1.4
177.05461	2.1
177.12791	1.8
177.16447	3.1
189.16577	1.6
191.14336	4.4
191.17964	5.6
193.15825	1.6
201.16368	25.4
219.06506	5.3
219.10202	2.7
219.17442	68.8
237.07610	4.6
237.18504	94.8
237.22264	4.0
247.65285	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Sirenin
Peak:m/z	Relative Intensity
52.89113	0.8
52.89361	1.2
53.01763	0.8
55.01872	12.5
55.05510	6.8
57.03428	1.4
57.07073	1.8
65.15046	1.0
67.05506	6.1
69.03426	6.5
69.07058	4.5
70.56444	2.7
71.04998	17.5
79.05493	5.1
81.07053	15.4
83.04966	3.8
83.08609	3.2
85.06529	3.2
88.47892	0.8
91.05486	9.2
93.07050	12.4
95.04965	4.9
95.08602	7.9
97.06525	3.7
97.10184	1.0
99.08092	4.6
103.05449	1.3
105.07040	10.8
107.04942	1.0
107.08585	10.9
109.06514	7.9
109.10167	9.7
109.22025	1.1
111.08101	1.4
117.07005	1.1
117.88577	0.9
119.04942	12.6
119.08597	6.0
120.08131	5.8
121.06469	2.8
121.10117	6.0
122.09683	1.2
123.08067	3.9
123.11741	5.4
125.09634	2.4
127.07541	1.2
127.11193	17.4
131.04851	1.4
131.08551	2.8
133.10121	14.8
135.11676	2.5
137.09651	1.4
139.11198	2.7
143.10699	2.7
145.10143	7.0
147.04370	4.7
147.08090	1.1
147.11702	3.4
149.06007	5.8
149.08423	1.2
149.13286	2.4
150.09114	1.4
151.11180	25.5
155.10660	6.0
159.11671	2.9
161.13231	1.9
163.07541	2.8
163.11151	1.5
164.10742	2.0
165.05457	1.5
166.08661	1.1
173.13342	1.1
177.05473	100.0
177.12672	1.6
178.05824	3.0
191.07054	5.4
192.10298	1.6
196.42543	0.9
201.16393	2.8
207.29419	0.9
219.06511	31.9
219.09865	1.4
219.13776	1.3
219.17349	5.6
237.07469	7.1
237.11211	1.3
237.18542	8.0
237.22269	1.4
238.08260	1.1
238.10747	2.3
241.37135	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	(-)-Tremediol
Peak:m/z	Relative Intensity
52.32396	1.6
53.03945	3.0
55.01883	2.4
55.05278	1.5
55.05505	11.6
57.07071	3.8
59.04987	7.2
65.03916	1.6
67.05508	24.0
69.03413	7.1
69.07072	10.4
69.29934	15.8
71.04993	37.1
74.32551	1.3
75.28443	1.5
79.05505	13.4
81.03399	1.7
81.07056	84.5
83.04964	5.5
83.08601	5.3
85.06521	4.8
87.08067	1.4
91.05486	27.8
93.07043	100.0
95.04971	9.5
95.08602	46.8
97.06518	5.3
97.10149	5.5
98.21551	2.9
98.97591	4.8
99.08097	17.6
105.07030	73.1
107.04962	4.3
107.08590	28.9
109.06526	13.2
109.09474	2.4
109.10153	28.9
111.08071	4.4
113.05993	5.5
113.09618	4.0
115.05434	2.0
116.98548	2.3
117.07016	4.3
119.08577	23.9
121.10150	19.9
123.08076	5.4
123.11704	42.7
125.09640	10.7
127.07533	5.2
127.11206	16.5
129.06979	2.2
131.08585	14.5
133.10127	94.2
134.10466	2.2
135.04425	3.1
135.08087	2.4
135.11713	14.7
137.09598	7.3
139.11185	6.4
143.10664	4.7
145.10141	18.5
147.11678	17.5
149.09642	2.6
149.13287	8.3
151.11182	82.7
153.05534	2.1
153.12779	1.7
155.10646	4.8
155.97321	1.6
159.11682	17.7
161.13242	11.4
163.11163	4.2
165.12733	2.3
173.13278	19.6
175.14874	3.9
177.00615	1.8
177.12750	4.8
177.16380	2.6
191.17886	8.0
194.07333	2.3
201.16388	22.8
219.10231	1.7
219.17435	76.5
237.18497	97.7
238.06998	1.9
259.96069	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
57.07086	0.6
58.06601	0.5
60.77235	0.4
67.05492	0.8
69.07062	0.7
70.06589	0.7
70.76318	0.7
71.08608	0.4
72.08143	0.9
74.02442	3.3
75.03226	0.5
79.05473	0.9
80.05016	0.5
81.07043	0.7
82.85223	0.4
83.08633	0.6
84.08128	0.5
89.35439	0.4
91.05485	1.6
92.04994	0.4
93.07043	0.8
94.06571	2.1
95.04964	0.4
95.08616	1.0
97.06528	0.4
99.00823	0.4
103.00993	0.5
103.05485	0.7
104.05028	0.5
107.04943	0.6
108.04487	0.4
110.06047	1.3
118.06544	6.7
120.04483	2.1
120.08105	9.4
121.06544	0.4
121.10159	0.5
122.06028	1.1
128.04958	5.0
130.06528	9.0
131.04938	0.6
131.07344	0.7
132.04477	1.4
133.05206	0.9
136.07600	4.3
145.07564	0.9
145.53067	0.4
146.06012	100.0
147.06380	1.8
148.03938	11.9
150.05511	0.9
156.04541	0.4
157.07610	9.3
158.06017	1.4
159.09163	1.7
162.05527	0.5
163.05829	0.4
163.08681	0.7
164.07104	2.0
166.08638	7.6
173.07100	3.1
174.05508	12.2
176.07037	0.5
178.05043	1.0
191.08159	17.2
191.11792	0.8
192.06587	1.9
192.08386	0.8
194.32262	0.4
202.05009	2.1
203.08141	8.1
204.08836	0.6
209.09296	0.6
219.07664	1.1
220.06070	4.7
220.08466	1.2
237.08723	10.7
237.12416	0.7
237.22154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0869
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
67.05494	0.4
69.07050	0.3
71.02995	0.9
72.08122	0.5
74.02435	3.1
75.03225	0.7
79.05511	0.4
80.04995	0.9
81.07055	0.3
84.08123	0.5
88.85246	0.3
91.05473	1.1
94.06577	2.0
99.00816	0.5
103.05453	0.6
108.04472	0.5
108.08146	0.3
109.05228	0.4
110.06040	1.3
117.05774	0.6
118.06546	7.0
120.04475	1.8
120.08121	5.4
121.02853	0.4
121.10172	0.4
122.06018	0.9
123.08059	0.4
125.09592	0.3
128.04955	5.3
130.06522	10.6
131.04988	0.5
131.07259	1.1
132.04453	1.9
133.05226	1.7
136.07581	4.0
139.80035	0.4
142.06538	0.5
145.07608	1.7
146.06006	100.0
147.06395	1.7
148.03923	12.6
150.05524	1.1
156.04413	0.7
156.66084	0.3
157.07608	8.4
158.06009	1.0
158.08342	0.3
159.09123	1.6
163.05763	0.6
163.08644	0.5
164.07066	1.8
166.08626	3.6
173.07123	3.9
174.05510	11.3
174.07715	0.5
175.06070	0.4
175.08670	0.4
176.07106	0.5
178.05023	1.2
191.08154	13.9
191.11801	0.4
192.06607	1.8
202.05048	1.8
203.08145	7.2
204.08798	0.6
219.07683	0.9
220.06075	2.7
220.08237	0.8
237.08762	7.1
237.22157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0757
Annotation	6,7,8-Trimethoxy-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03955	0.3
55.01877	0.3
55.05510	0.5
57.07074	0.3
62.01596	0.1
62.81060	0.2
65.03952	0.2
66.04739	0.2
67.05503	1.2
68.99793	0.3
69.03420	0.2
69.07059	0.6
69.51257	0.1
69.56178	1.0
71.04961	0.2
71.08619	0.2
78.04698	0.2
79.05502	0.8
81.03420	0.3
81.07060	1.7
81.34643	0.2
83.05004	0.3
83.08633	0.4
85.06525	0.3
91.05486	2.0
92.06268	0.9
93.03399	0.4
93.07035	1.1
95.04954	0.8
95.08608	1.6
97.06554	0.3
97.10154	0.2
101.32746	0.2
102.94110	0.2
103.05466	0.5
104.06242	0.6
105.03391	0.3
105.07027	0.6
107.04935	0.9
107.08609	0.9
109.06530	0.6
109.10157	1.1
111.04467	0.2
111.08115	0.2
117.07040	0.2
119.04942	1.0
119.08607	0.3
120.05727	1.6
121.02772	0.2
121.06493	0.4
121.10109	0.7
123.04421	1.9
123.08054	0.4
123.11693	0.3
125.09615	0.3
130.04124	0.3
131.04930	1.8
132.05756	0.4
133.02863	1.0
133.10097	0.5
134.03650	0.8
135.04431	0.7
135.08014	0.2
135.11688	0.5
136.05168	0.4
137.05975	0.5
145.10117	0.3
146.03586	0.2
147.04408	8.2
148.05186	9.6
149.02303	0.2
149.06038	0.9
149.13304	0.2
151.03906	2.1
151.07556	0.2
151.11136	0.3
153.12706	0.1
159.04434	0.3
161.02347	0.9
161.13231	0.2
162.03131	0.4
163.03897	2.9
163.11171	0.2
165.06895	0.2
166.06262	1.5
174.03073	0.2
175.03931	2.0
176.04688	10.1
177.01802	0.8
177.05484	1.0
178.02635	0.3
178.06248	3.6
178.07794	0.2
179.03394	3.4
180.04184	0.2
181.08641	0.7
181.10028	0.1
191.03394	26.6
192.03880	0.6
193.04958	4.6
193.08614	0.3
195.11713	0.2
201.16458	0.2
202.93848	0.1
203.03383	1.3
204.04182	8.6
205.01334	4.1
205.04890	0.6
205.08546	0.2
207.02885	40.2
208.03191	0.6
209.08109	0.7
219.02881	0.5
219.06480	0.3
219.17419	0.5
221.04448	7.5
222.05220	7.4
223.02390	0.6
237.07565	100.0
237.21989	0.8
238.07861	1.5
246.65125	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	237.0756
Annotation	6,7,8-Trimethoxy-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03932	0.2
55.01869	0.4
55.05513	1.1
57.03418	0.3
57.07056	0.7
65.03955	0.3
67.05502	1.6
68.99765	0.2
69.03413	0.7
69.07062	2.3
69.32783	2.0
71.04969	0.7
75.13351	0.2
78.04713	0.4
79.05494	1.4
81.03409	0.3
81.07047	2.5
83.04973	0.8
83.08620	0.7
85.06538	0.6
91.05482	3.2
92.06262	0.5
93.07047	2.0
94.04179	0.3
95.04969	1.3
95.08614	2.3
97.06519	0.7
97.10121	0.3
99.08106	0.3
103.05476	0.8
104.06258	0.3
105.03368	0.6
105.07009	1.1
107.04925	1.1
107.08589	1.9
109.02877	0.5
109.06512	1.1
109.10159	2.0
111.08100	0.4
117.07007	0.3
118.04160	0.4
119.04967	1.1
119.08591	1.1
120.05727	1.9
121.02881	0.3
121.06480	0.8
121.10160	1.9
123.04427	2.2
123.08059	0.4
123.11696	1.1
125.09613	0.6
127.07524	0.2
130.04150	0.2
131.04945	2.3
131.08553	0.6
132.05737	0.2
133.02840	1.9
133.10133	1.1
134.03609	0.6
135.04411	1.9
135.08067	0.3
135.11688	1.0
136.05225	0.5
137.02339	0.5
137.05995	1.0
137.09616	0.4
137.13208	0.4
139.07585	0.4
139.11160	0.3
145.10072	0.9
146.03671	0.5
147.04416	6.8
147.11708	0.3
148.05193	6.7
149.02299	0.2
149.05966	0.6
149.13277	0.4
151.03894	3.7
151.07512	0.6
151.11156	0.7
159.08151	0.2
159.11729	1.0
161.02333	2.4
161.09717	0.3
161.13248	0.7
162.03087	0.3
163.03908	5.3
163.11180	0.9
163.14957	0.2
164.04623	0.4
165.05518	2.5
165.06921	0.4
165.12662	0.3
166.06297	2.1
173.13298	0.4
174.03108	0.3
175.03888	3.8
175.14725	0.3
176.04692	10.2
177.01863	0.5
177.05519	1.5
177.12711	0.4
178.02666	0.3
178.06255	6.6
179.03418	3.6
179.07034	0.2
179.08578	0.7
181.08630	1.5
189.01836	0.3
191.03394	15.7
191.14337	0.3
191.17758	0.4
192.04065	1.0
193.04967	12.3
193.10060	0.3
194.05751	2.3
197.79424	0.3
201.16418	1.1
203.03358	2.7
204.04178	5.6
205.01369	1.1
206.02061	0.3
207.02895	18.5
208.03394	0.4
209.07997	1.1
209.13406	0.3
219.13725	0.3
219.17398	1.6
221.04456	3.3
221.09485	0.3
222.05237	15.1
222.10231	1.3
237.07571	100.0
237.18469	2.1
237.22121	0.9
238.07904	1.6
239.07152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2055
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
50.16093	1.5
53.67763	1.8
55.01848	1.5
55.05509	9.5
57.03431	1.8
57.07077	44.9
59.05003	2.4
64.84009	1.7
65.03914	2.3
67.05509	19.7
69.07070	14.9
70.06587	5.4
71.05000	3.4
71.06959	2.7
77.60523	1.8
79.05495	9.1
81.07060	39.9
82.05318	2.1
83.04970	2.4
83.08616	4.5
85.06544	6.9
91.05487	11.1
93.07053	21.5
95.04962	5.3
95.08611	45.6
97.06531	4.0
97.10148	3.7
99.08063	3.0
105.07026	16.9
107.08601	21.0
107.17106	1.5
109.06525	3.0
109.10164	32.2
110.07159	10.5
111.08073	3.9
111.11729	2.4
119.08592	18.8
121.10134	18.9
123.04418	4.8
123.08099	3.1
123.11718	20.1
125.09665	2.0
131.08537	2.6
133.10147	11.6
135.08043	2.2
135.11708	16.1
137.09579	3.7
137.13235	10.0
145.10127	2.3
145.44179	1.9
147.07977	1.9
147.11682	12.5
149.13295	7.9
151.11197	1.6
155.26097	1.5
161.13260	13.3
162.10265	3.1
163.14856	2.1
165.12798	2.3
175.11241	2.4
175.14891	8.1
177.12773	1.7
177.16354	3.9
179.10677	31.5
179.14137	2.8
189.16443	3.9
191.17946	4.8
199.14632	1.9
217.15985	3.8
217.19518	20.7
231.58386	2.1
235.11823	19.8
235.16928	100.0
235.20572	79.5
236.17207	3.5
236.20847	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	235.1692
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
55.01883	4.0
55.05508	11.3
57.07074	18.5
65.03942	3.5
67.05513	19.6
69.03430	50.5
69.07069	16.6
69.93682	5.0
69.94097	11.0
71.04984	5.6
79.05485	13.8
81.07058	39.7
83.04998	7.9
85.06522	7.7
91.05470	17.1
93.07050	27.8
95.04972	7.3
95.08603	36.6
97.06519	33.2
97.10124	3.8
98.21484	5.9
105.07028	38.2
107.08596	48.1
109.06511	13.6
109.10139	14.0
110.07207	5.0
111.04403	3.8
111.08083	5.0
117.07043	3.4
119.08560	30.2
121.06518	8.5
121.10167	23.0
123.08066	13.6
123.11711	8.5
125.09633	9.3
128.06180	3.5
131.08582	9.8
133.10130	34.1
135.08081	8.7
135.11751	3.6
137.05988	3.9
137.09604	6.2
141.09105	5.7
143.08566	10.3
144.09297	3.4
145.10139	8.8
147.11691	22.5
149.09624	8.5
149.13298	5.1
151.11156	12.7
157.10133	10.3
159.11722	12.6
161.09561	5.5
161.13281	5.2
171.11673	3.7
173.13300	7.0
175.11217	4.4
175.14865	11.5
177.12733	8.2
179.10628	15.9
189.12866	4.1
189.16411	10.8
191.14301	5.0
193.15884	4.0
199.14812	10.0
217.15854	26.9
228.20221	3.2
235.16936	100.0
235.20509	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	235.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04249	0.4
56.04992	0.3
59.00316	0.3
70.06593	23.4
70.74741	0.7
74.64131	0.2
81.04537	1.9
82.05323	11.8
83.06102	4.2
93.04536	2.4
95.06082	1.3
98.06053	1.3
110.07165	67.9
111.07494	0.7
116.98615	0.4
120.12230	0.3
121.04007	1.9
121.07620	0.5
122.07146	0.7
123.05569	0.8
125.07077	0.5
137.07126	0.9
138.06598	2.0
139.70378	0.3
148.05060	0.7
149.07079	1.1
154.07368	1.1
162.10262	7.9
166.06100	4.4
190.09724	0.8
207.12431	3.2
217.10846	2.4
218.09195	0.8
235.11891	100.0
236.12177	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	235.119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37555	0.3
56.96561	1.7
69.03429	0.4
70.06593	26.9
71.06924	0.3
71.07645	0.5
73.02899	0.3
80.13525	0.2
81.04544	2.1
82.05321	12.1
83.06099	4.7
84.08120	0.6
85.02909	0.8
90.63482	0.3
93.04518	2.7
95.06097	1.5
97.02894	0.4
98.06046	0.6
98.97585	0.9
101.00867	0.4
110.07164	75.8
111.07540	0.8
112.99088	0.3
113.07138	0.3
116.98610	0.7
119.01889	0.5
121.03984	1.9
121.07626	0.7
122.07121	0.3
123.05544	1.1
125.07099	0.5
126.05461	0.3
137.07101	1.0
138.06633	2.8
148.05095	0.3
149.07103	1.4
153.06685	0.3
154.07379	1.2
162.10266	10.6
163.10588	0.3
166.06117	5.6
174.10289	0.4
175.04282	0.3
183.05069	0.3
187.04601	0.5
190.09781	1.1
191.12952	0.4
194.95586	0.3
207.12430	5.1
217.10820	3.4
218.09239	0.8
235.11891	100.0
236.12189	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	234.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.05502	0.6
56.05039	7.2
56.19299	0.3
57.07078	5.2
58.06605	3.4
60.04527	1.6
67.05508	0.5
68.05042	0.4
68.05860	0.4
69.03468	0.4
69.06727	0.6
69.07072	7.6
69.22272	3.6
69.22625	0.6
70.06574	0.4
71.08636	3.3
71.48403	0.3
72.08152	0.4
74.06081	7.5
75.25654	0.3
79.05485	1.3
80.13619	0.3
81.07050	0.9
82.07381	0.5
82.55459	0.3
84.08183	0.4
86.06068	1.1
88.07634	18.6
91.05526	0.8
93.07049	1.3
95.04971	1.2
95.08601	0.7
98.20778	0.7
104.07095	0.6
105.07018	1.2
106.07336	0.5
107.04953	15.5
107.08571	0.9
109.10149	0.4
110.07140	0.3
115.05400	0.5
118.08657	4.2
119.08588	1.0
120.08117	3.1
120.08882	0.6
121.06476	0.5
122.06046	1.5
122.08142	4.3
130.06508	0.8
131.04932	0.5
133.05235	21.6
133.10115	0.4
135.04440	0.9
136.06255	0.5
143.08594	0.5
145.06369	0.8
145.10074	0.5
146.05952	0.7
146.10516	0.8
147.04393	0.5
147.11665	0.4
148.07571	100.0
149.07924	1.1
151.03926	0.9
152.04288	0.6
159.11661	0.4
161.06013	0.4
163.03926	0.8
163.09573	0.4
164.04221	2.7
166.08644	27.7
173.05946	0.3
173.09561	0.6
174.05374	0.4
174.09944	1.0
174.13448	0.4
175.11136	0.3
179.10803	0.4
186.18532	35.5
189.05533	0.4
192.03780	0.8
216.06570	0.8
216.10866	0.4
216.19644	1.3
234.04791	2.6
234.08112	0.5
234.11998	1.8
234.15166	1.7
234.20648	68.8
235.09666	0.6
235.16925	1.9
235.20857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.05516	0.8
57.03439	1.7
69.72529	1.3
71.99348	0.2
79.05489	1.7
80.73782	0.2
81.07061	4.6
85.08961	0.2
93.07044	0.2
94.04065	1.2
103.05462	1.2
106.06561	4.1
106.47923	0.2
118.06527	0.7
119.03541	2.3
120.08113	4.2
131.04944	3.5
132.04460	0.2
136.06189	100.0
137.04604	1.6
137.06573	0.5
144.08078	0.3
146.05995	0.7
148.07518	0.3
188.07123	1.2
188.44972	0.3
190.10857	1.1
192.06522	1.9
206.08170	0.8
234.13504	65.7
235.13783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.05516	1.0
57.03437	1.6
60.04523	0.5
67.05511	0.3
69.03438	0.3
69.51798	1.2
69.52222	0.5
70.06580	0.6
76.59715	0.2
79.05479	1.5
81.07054	4.4
84.08135	0.6
86.09707	0.4
91.05470	0.5
91.10165	0.2
93.07046	0.7
94.04050	1.5
95.04948	0.6
95.08614	0.4
98.20757	0.4
103.05479	1.6
105.03385	0.4
105.07049	0.5
106.06528	0.5
107.04968	0.4
109.05067	0.3
112.05095	0.3
117.07037	0.3
118.06525	1.6
119.03544	2.4
119.08627	0.3
120.08107	14.5
128.04985	0.3
128.06224	0.3
130.06520	0.5
131.04921	1.0
133.10133	0.4
135.04451	0.4
136.06183	100.0
137.04581	2.1
137.06573	0.6
143.08585	0.3
144.08080	0.6
146.06001	2.3
148.07568	0.4
152.04230	0.3
166.08597	0.6
172.16902	0.4
173.08345	0.5
175.07516	0.7
177.34872	0.3
188.07051	2.0
188.08531	0.2
190.10869	1.2
192.06638	0.3
201.07854	0.3
206.08101	2.8
216.06485	0.3
216.10269	1.4
216.12119	0.4
217.15727	0.3
234.13484	58.6
235.13730	1.3
235.16965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1644
Annotation	Albine
Peak:m/z	Relative Intensity
50.03672	0.2
51.02386	0.2
53.03944	0.4
58.06602	0.3
63.20216	0.2
70.06573	0.3
71.28439	0.3
72.08159	1.5
77.03551	0.2
77.03883	1.0
80.70974	0.1
84.08136	2.5
91.05453	0.2
95.04969	0.6
105.03387	79.0
106.03740	0.8
110.09727	0.2
112.11233	2.7
120.28854	0.2
122.06059	0.2
130.00070	0.2
134.06006	6.4
145.10164	0.2
162.09132	100.0
163.09514	1.3
172.03673	0.2
176.10684	1.2
207.99522	0.2
225.26352	0.2
233.16478	58.6
234.16844	1.0
241.51717	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1496
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05523	0.5
56.05037	17.3
56.96570	0.7
57.03442	3.2
58.06602	3.4
66.50277	0.4
69.03439	0.5
69.94900	0.5
70.06590	1.7
70.70593	1.0
70.70918	0.5
72.08160	2.9
73.47919	0.4
74.06081	100.0
75.04475	0.5
75.15333	0.4
76.02237	0.8
77.57663	0.4
79.05499	0.6
81.04562	0.4
84.04504	5.0
84.08163	0.6
84.19251	0.4
85.02915	0.9
86.09708	23.9
88.81053	0.4
97.02916	0.4
101.07140	2.4
104.10739	0.6
104.59171	0.4
105.03387	5.8
112.63648	0.5
116.07112	0.6
126.12859	0.5
131.08521	0.4
132.10205	16.9
132.11174	0.8
134.06035	0.8
134.08145	1.6
142.12357	0.4
143.11807	0.5
162.07817	0.8
162.09145	7.0
169.13388	1.3
171.12088	0.6
176.82150	0.4
187.14415	9.3
187.15948	0.7
215.13866	3.1
233.14716	7.8
233.16953	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
51.02366	1.2
53.03940	2.5
55.01860	2.8
55.05506	5.0
57.03434	1.0
57.07063	2.5
59.05540	0.8
65.03924	1.3
67.05508	5.1
69.03414	3.1
69.06726	0.9
69.07069	10.5
69.54062	5.1
70.06589	1.0
71.04971	1.3
77.03927	14.8
79.05148	0.8
79.05501	9.0
81.03429	1.7
81.07059	6.7
82.17825	0.7
83.04979	1.6
83.08610	3.2
85.06529	1.1
91.05485	13.0
93.07049	6.5
95.04977	6.4
95.08598	6.8
97.06521	2.1
103.05476	5.3
105.03389	12.9
105.04507	1.1
105.06404	0.8
105.07032	8.9
107.04952	9.2
107.08587	4.6
109.02894	0.8
109.06510	2.5
109.10174	1.4
111.08082	1.1
115.05438	3.3
116.06259	1.1
117.07011	7.2
119.04940	2.2
119.08569	6.5
121.02892	1.6
121.06507	4.0
121.10158	3.8
123.04439	1.4
123.08031	0.8
128.06236	0.9
129.07005	2.7
130.07785	1.2
131.04933	9.0
131.08562	10.6
133.02853	65.5
133.06488	9.6
133.10129	4.7
134.03523	0.9
134.05946	0.9
135.04413	21.7
135.08046	1.8
135.11690	3.0
137.05951	0.9
141.07011	2.4
143.08557	2.0
144.05721	3.9
144.09297	0.7
145.06488	17.7
145.10127	10.0
146.03580	0.8
147.04408	16.1
147.05540	1.4
147.06931	1.4
147.08049	16.9
147.11696	2.1
149.05989	3.9
149.09656	3.7
149.13264	1.3
151.03903	99.4
152.04283	1.0
155.06012	1.8
155.08589	2.0
157.06499	1.0
157.10077	1.7
158.06143	0.8
158.07216	3.9
159.04469	3.7
159.08072	6.8
159.11681	8.0
161.05986	3.1
161.09656	2.6
161.13249	1.7
162.03055	1.0
162.09132	8.4
163.03903	52.4
163.07504	1.4
163.11203	1.2
163.14853	0.9
164.04257	2.2
165.05501	3.3
172.05179	1.2
172.08804	1.5
173.05994	8.3
173.09624	16.1
173.13261	4.5
174.05400	0.7
175.07468	1.1
175.11188	1.9
175.14862	0.8
176.04694	1.6
177.05487	3.7
177.09093	2.1
177.12787	0.8
179.07114	1.0
179.08665	0.8
187.07587	2.9
187.11171	5.4
187.14871	3.5
189.05441	2.4
189.12755	1.0
190.06255	1.8
191.03410	15.9
191.07068	1.4
191.10674	1.1
191.14362	1.5
197.09660	2.4
201.05408	1.0
202.04408	0.7
203.10643	1.8
205.04906	1.0
205.08592	2.2
215.05141	1.6
215.07263	1.4
215.10680	21.5
215.14064	3.6
215.17911	3.7
218.02095	6.5
233.04460	45.2
233.08281	7.7
233.11725	100.0
233.15475	10.1
233.19020	7.8
233.20924	2.1
234.04893	2.2
234.12061	2.3
251.12769	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.117
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
50.01594	0.3
51.02379	1.0
53.03942	1.2
55.01863	0.8
55.05511	2.4
57.03440	0.4
57.07078	0.7
65.03931	0.8
66.41574	0.3
67.05499	3.0
68.99755	0.3
69.03415	1.4
69.07065	9.7
70.03745	0.3
70.06589	0.7
71.01348	0.3
71.04980	0.8
72.07885	0.3
72.08162	3.0
73.08478	0.3
77.03926	18.0
79.05492	4.9
81.03410	1.3
81.07049	3.5
83.04978	0.8
83.08610	2.7
83.10129	0.3
85.02905	0.4
85.06538	0.7
86.09702	0.6
91.05482	9.2
92.05789	0.3
92.40678	0.3
93.07040	3.6
95.04964	4.0
95.08607	2.6
97.02895	0.3
97.06507	0.6
103.05451	2.8
105.03387	12.4
105.07027	6.3
107.04950	8.7
107.05634	0.6
107.08584	2.0
109.02855	0.5
109.06513	0.5
109.10143	0.4
111.08080	0.5
115.05442	2.2
116.06246	0.8
117.07013	6.2
119.04918	1.1
119.08569	3.3
120.08082	0.5
121.02861	0.6
121.06519	2.3
121.10127	1.3
123.04446	2.3
123.08042	0.6
123.11688	0.4
127.03877	0.4
128.06187	0.7
129.06995	1.7
130.07796	0.9
131.04901	2.8
131.08566	6.0
132.05690	0.7
133.02849	81.4
133.06476	9.5
133.10146	1.6
134.03526	0.9
134.05934	0.5
134.06891	0.3
135.04408	18.6
135.08032	0.7
135.11671	0.4
136.04749	0.4
137.06004	0.8
141.06979	1.9
143.08566	1.4
144.05702	4.6
144.09323	0.9
145.02852	0.7
145.06482	19.0
145.10126	5.2
146.07208	1.0
147.04413	16.5
147.05504	1.0
147.08044	16.8
147.11674	1.1
148.04788	0.3
149.05992	2.0
149.09596	0.6
151.03896	100.0
152.04269	1.8
153.06946	0.4
154.07770	1.0
155.06065	1.8
155.08627	0.7
156.09296	0.3
157.06519	0.7
157.10118	0.5
158.07253	5.7
159.04401	3.0
159.05551	0.4
159.08041	6.0
159.11703	3.6
161.06003	3.4
161.09601	2.9
161.10796	1.0
162.09142	4.3
162.11116	3.1
163.03912	1.0
163.07523	0.9
163.11247	0.6
165.05515	4.3
169.06374	0.4
169.07634	0.7
169.10094	1.0
171.04469	0.4
171.08061	0.9
171.11711	0.7
172.05199	0.5
172.08829	1.6
173.05995	6.8
173.09610	13.2
173.13168	1.6
174.05426	0.6
174.06830	0.5
175.07530	0.7
175.11253	0.8
175.14871	0.4
176.04652	1.6
177.05455	2.3
177.09087	0.4
179.07033	0.6
179.08542	0.7
182.07269	0.5
187.07507	2.0
187.11177	4.4
187.14818	1.4
189.12721	0.4
190.06227	1.6
191.06995	2.3
191.10646	0.5
197.09578	2.2
197.13303	0.4
203.10677	2.0
204.07826	0.4
205.08659	0.8
215.07288	0.5
215.10661	21.6
215.14227	1.3
216.06659	0.8
216.11057	0.9
233.11719	91.4
233.15497	3.6
233.18680	1.8
234.07608	0.5
234.11971	2.8
251.12752	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	233.1172
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
51.02388	0.7
53.03937	1.9
55.01869	1.0
55.05506	3.2
57.03432	0.5
57.07078	2.0
59.04994	0.7
65.03952	1.2
67.05507	4.9
69.03426	3.7
69.07068	8.7
69.84174	3.0
70.06599	0.9
71.04999	1.1
77.03928	15.9
79.05491	7.7
81.03439	0.9
81.07062	6.2
83.04973	1.5
83.08604	2.9
85.06564	1.3
88.07610	1.0
90.34528	0.5
91.05481	10.5
93.07044	5.0
95.04964	6.4
95.08609	5.1
97.06544	0.8
103.05453	3.2
104.98478	0.6
105.03393	11.1
105.07039	9.1
107.04959	8.5
107.08573	5.1
109.06506	1.5
109.10146	1.7
111.08031	0.7
115.05464	3.1
116.06231	1.6
117.07018	6.9
119.04915	1.2
119.07799	1.1
119.08575	10.8
121.06496	3.0
121.10171	2.8
123.04420	1.9
123.08073	0.8
123.11717	0.7
128.06253	1.0
129.07019	2.7
131.04918	4.4
131.08553	8.3
133.02853	79.1
133.06479	9.4
133.10133	3.1
134.03181	1.0
135.04413	15.6
135.08052	1.2
135.11690	1.4
137.05942	1.7
137.09618	1.0
141.06998	1.8
142.07776	1.1
143.08600	1.7
144.05702	4.6
145.06477	19.8
145.10126	9.8
146.07281	0.6
147.03235	0.8
147.04420	14.1
147.05516	1.2
147.08046	20.1
147.11665	2.1
149.05977	1.8
149.09642	1.6
149.13228	0.7
151.03903	93.8
152.04227	1.9
154.07771	0.8
155.06059	1.7
155.08511	1.7
157.06458	0.8
157.10110	2.1
158.07326	4.8
159.04413	2.6
159.08023	7.1
159.11697	5.4
161.06017	4.7
161.09615	3.5
161.13289	1.0
162.09175	2.4
163.03935	1.5
163.07518	0.9
163.11205	1.0
165.05524	4.0
169.06425	0.7
169.07697	1.0
169.10135	0.8
171.08032	1.3
171.11661	0.8
172.05182	3.1
172.08844	1.7
173.05992	7.2
173.09610	12.8
173.13248	3.1
174.10118	0.8
175.03928	0.9
175.11243	2.3
176.04660	1.5
177.05473	2.9
177.09122	1.4
179.06998	1.0
183.04311	0.9
187.07567	5.1
187.11168	5.1
187.14816	3.0
189.05505	1.2
189.12756	2.3
190.06250	1.8
191.07019	2.6
191.14282	2.3
197.09612	2.1
197.13290	1.1
203.10680	2.1
205.08612	1.7
205.12263	1.0
205.15755	0.6
215.07214	1.1
215.08661	1.3
215.10674	22.7
215.14072	4.0
215.17854	0.8
216.11073	0.7
218.02237	2.6
218.05693	0.8
233.04362	2.2
233.08353	8.4
233.11726	100.0
233.15100	12.1
233.19075	1.8
233.23038	10.8
234.12129	3.2
251.12770	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
51.02387	1.6
53.03941	1.2
55.01866	1.7
55.05502	2.9
56.96555	1.8
65.03930	1.9
67.05506	4.8
69.03430	1.1
69.07069	12.0
69.31951	0.7
69.58507	2.9
69.58926	1.7
71.01346	0.9
71.04988	1.2
74.06081	1.2
77.03922	14.6
77.57668	0.6
79.05490	6.5
81.03422	1.0
81.07057	3.7
83.08603	2.7
85.06537	0.9
86.09703	1.7
91.05478	11.5
93.07044	4.5
95.04961	5.8
95.08599	3.5
98.97569	2.4
103.05467	3.6
105.03391	12.7
105.07024	7.7
107.04964	8.0
107.08593	3.0
109.06532	1.0
109.10146	1.2
111.04440	1.4
111.08112	0.7
115.05441	3.4
116.98627	1.2
117.07000	6.5
119.04990	1.5
119.08583	5.1
120.08091	3.0
121.02864	20.1
121.06523	3.5
121.10112	1.2
123.04449	1.3
123.08107	0.8
123.69038	0.6
128.06218	1.1
129.07011	2.6
130.07706	0.8
131.04926	4.0
131.08545	7.0
133.02850	80.7
133.06490	11.0
133.10132	2.2
134.03604	1.1
135.04410	16.3
135.08034	1.2
136.06160	1.6
137.05873	0.9
141.06989	1.8
143.00162	2.1
143.08592	1.5
144.05658	4.2
145.02861	1.1
145.06483	21.2
145.10153	6.5
146.06000	1.1
146.07152	0.8
147.04416	14.9
147.05511	1.2
147.08044	19.9
147.11667	1.4
148.04659	0.7
149.05975	2.0
149.09602	1.1
151.03899	100.0
152.04219	2.1
154.07849	1.2
155.06026	1.7
155.08508	0.8
157.10104	0.8
158.07288	5.3
158.99565	0.9
159.04425	2.2
159.05579	1.6
159.08058	6.6
159.11720	3.6
160.07518	1.2
161.01280	3.9
161.05974	3.6
161.09683	3.4
162.09105	5.5
163.03882	0.7
165.05498	4.0
169.06389	0.7
171.04462	0.8
171.08177	0.8
172.05302	0.7
172.08885	1.2
173.05949	7.0
173.09613	14.2
173.13246	2.0
174.05370	0.9
175.07518	0.7
175.09126	0.7
175.11130	1.9
176.04688	1.9
177.05513	2.6
177.09131	1.1
179.02271	1.5
179.07027	1.1
185.01234	1.3
187.07568	2.7
187.11174	3.8
187.14746	1.9
189.12769	1.9
190.06261	1.1
191.07047	3.2
197.09604	2.4
197.13251	0.9
203.02254	4.5
203.10707	2.7
215.07298	1.2
215.10678	23.0
215.12677	1.2
215.14264	1.7
215.17964	1.6
216.10838	1.0
218.02084	0.7
221.03325	0.8
233.07977	2.4
233.11720	90.4
233.15459	6.1
233.18977	1.3
234.12033	1.9
234.14935	0.9
246.63358	0.7
251.12813	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	233.1172
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
51.02180	0.2
51.02386	0.9
51.23009	0.2
51.88307	0.2
53.03941	0.7
55.01871	1.0
55.05513	2.5
57.03421	0.3
57.07079	0.6
57.62450	0.3
65.03942	0.3
67.05498	2.1
69.03437	0.5
69.07070	10.1
69.62442	1.8
71.04974	0.4
75.27357	0.3
77.03928	16.5
78.04250	0.3
78.04685	0.4
79.05492	4.8
81.03414	1.0
81.07049	2.6
83.08615	2.8
85.06535	0.4
91.05481	8.3
93.07038	1.5
95.04967	3.8
95.08604	2.7
98.21509	0.3
102.51318	0.3
103.05481	2.2
105.03391	10.1
105.04488	0.6
105.07034	5.2
106.04240	0.4
107.04958	7.6
107.08593	1.4
109.02849	0.3
109.06504	0.5
109.10136	0.6
111.08092	0.4
115.05437	2.3
116.06245	0.4
117.07023	5.8
119.04936	1.3
119.08572	3.0
121.02902	0.5
121.06524	2.3
121.10136	1.0
123.04435	1.4
123.08083	0.5
128.06229	0.8
129.06999	1.8
130.07791	0.6
131.04932	3.9
131.08562	5.0
132.05701	1.0
133.02852	82.1
133.06480	8.7
133.10136	0.7
134.03760	1.3
135.04413	15.0
135.08061	0.8
135.11682	0.3
137.05956	0.7
141.06982	2.0
143.08553	0.8
144.05708	4.2
144.06770	0.4
144.09335	0.4
145.02809	0.6
145.06482	20.0
145.10141	4.3
146.07240	0.6
147.04420	15.5
147.05521	1.0
147.08046	15.6
147.11707	0.6
149.05991	1.6
151.03900	100.0
152.04245	1.6
153.06958	0.3
154.07755	0.8
155.06073	1.6
155.08536	1.0
157.06520	0.6
158.07271	5.1
159.04411	2.9
159.05573	0.8
159.08060	5.0
159.11688	3.2
160.05170	0.3
161.05969	3.1
161.09624	2.5
162.03157	0.4
162.09137	1.1
163.03928	0.7
163.07487	0.7
163.11194	0.4
165.05499	4.1
169.06447	0.6
169.07721	0.6
169.10133	0.9
171.04535	0.4
171.08067	0.9
172.05156	0.8
172.08839	1.2
173.05983	6.3
173.07310	0.6
173.09627	12.3
173.13252	0.7
174.05533	0.7
175.11089	0.3
176.04674	1.2
177.05490	2.4
177.08980	0.6
179.07147	0.5
179.08578	0.7
182.07341	0.4
182.09221	0.4
187.07507	2.4
187.11168	3.7
187.14963	0.5
189.12701	0.7
190.06244	1.2
191.07002	2.2
197.09579	2.4
203.10695	2.3
204.07834	0.5
205.08621	0.6
205.12256	0.5
215.10669	21.3
215.14259	1.1
215.17915	0.7
216.10895	0.5
218.02130	1.3
233.04398	2.0
233.11723	94.8
233.15480	3.0
234.12100	2.7
251.12721	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	233.1173
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
50.01605	0.4
51.02385	1.1
53.03950	1.4
55.01868	0.7
55.05514	2.4
57.07062	0.7
65.03973	0.8
66.91299	0.4
67.05509	3.3
69.03433	0.6
69.07076	10.3
69.09396	0.4
70.02256	1.6
77.03931	16.3
79.05503	4.7
81.03432	0.9
81.07060	3.3
83.08616	2.8
85.06541	0.7
91.04968	0.9
91.05489	9.1
91.78057	0.4
93.07051	2.3
95.04971	4.6
95.08626	2.7
97.06565	0.8
103.05481	2.9
105.02725	0.8
105.03399	11.1
105.04520	0.7
105.07030	5.4
106.04200	0.5
107.04961	7.9
107.08607	1.5
109.10151	0.5
111.08080	0.6
115.05454	2.0
116.06255	0.7
117.07034	5.3
119.04948	1.9
119.08582	3.7
121.06538	2.7
121.10156	1.6
123.04436	1.5
123.08132	0.7
127.07395	0.5
128.06253	0.7
129.07004	1.7
130.07813	0.7
131.04961	3.6
131.08569	3.8
132.05727	1.0
133.02858	82.0
133.06488	11.1
133.10155	1.3
134.03188	0.9
135.04422	16.3
135.11836	0.5
137.09669	0.5
141.07011	1.9
143.08560	0.8
144.05719	4.2
145.02859	0.6
145.06499	18.6
145.10123	5.3
146.05995	1.6
146.07124	0.6
147.04427	15.2
147.05524	1.0
147.08054	18.5
147.11697	1.3
149.05972	1.7
151.03909	100.0
152.04285	1.9
154.07802	0.8
155.06073	1.4
155.08615	0.8
157.06549	1.0
158.07295	5.0
159.04424	3.1
159.05537	0.8
159.08078	6.2
159.11685	3.0
161.05988	3.8
161.09644	2.6
162.09137	1.3
163.03937	1.0
163.11234	0.6
165.05490	5.1
169.06403	0.6
169.07713	0.6
169.10115	0.9
171.08066	0.5
171.11667	0.5
172.08858	1.2
173.05983	6.7
173.07295	0.7
173.09639	13.1
173.13297	1.4
174.06758	0.6
175.07523	0.7
176.04715	0.9
177.05537	2.6
177.09161	0.5
179.06993	0.6
187.07465	2.4
187.11191	3.2
187.14871	1.1
188.02104	0.5
189.12767	1.1
190.06259	1.7
191.07004	3.1
191.10605	1.0
197.09605	2.9
203.10744	2.4
204.07896	0.6
205.08623	0.8
215.10681	21.2
215.14182	1.0
216.10899	0.7
233.11731	90.8
233.15501	2.8
233.18988	1.2
234.12039	2.7
251.12778	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.2
55.05498	0.3
67.05474	0.5
68.02595	0.2
69.07041	0.5
70.72096	0.5
78.04707	1.4
79.05455	0.9
81.03396	0.2
81.07063	1.0
82.00528	0.2
91.05441	0.8
93.07036	1.1
95.01337	0.3
95.04908	0.4
95.08549	0.6
101.58727	0.2
103.05513	0.3
105.03352	0.8
105.06985	0.8
106.04178	2.6
106.19621	0.2
107.04973	0.3
107.08562	0.6
109.02894	0.2
109.10091	0.4
115.05468	0.2
116.02576	0.5
119.08540	0.3
120.02100	0.3
121.02832	0.2
121.06479	0.7
121.10111	1.1
131.04906	0.7
131.08521	0.5
133.02800	0.3
133.06415	0.3
134.03629	8.3
135.11655	1.0
139.00244	0.3
144.02045	0.4
145.10086	0.5
147.04405	1.7
148.01501	0.5
149.02347	0.2
149.05946	0.4
149.09567	0.2
151.03896	0.4
152.00523	0.2
157.01294	0.3
159.04407	0.7
159.11691	0.5
161.02365	1.3
161.05977	0.3
162.03127	11.9
162.09106	0.5
163.03677	0.2
172.01561	1.4
173.02339	4.5
175.03841	0.4
176.56073	0.2
177.05563	1.5
178.06125	0.2
187.03839	0.4
187.14771	0.3
189.01752	0.4
189.05357	0.3
190.02640	5.3
200.00984	0.4
204.00548	0.6
205.05087	0.2
215.03549	0.3
215.14288	0.4
218.02103	100.0
219.02469	2.7
227.77794	0.2
233.04449	88.0
233.15103	1.4
233.18973	0.7
233.22643	1.0
234.04756	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	233.0442
Annotation	5-Hydroxyxanthotoxin
Peak:m/z	Relative Intensity
55.01837	0.3
55.05481	0.2
57.89340	0.2
67.05451	0.5
68.02605	0.3
71.53985	0.2
78.04704	1.5
79.05445	0.6
81.06997	0.5
83.08590	0.2
89.03871	0.3
89.87080	0.1
91.05421	0.6
93.06984	0.5
95.01294	0.4
95.08559	0.5
103.05412	0.5
105.03370	0.7
105.06978	0.7
106.04173	2.7
107.04907	0.3
107.08593	0.3
109.02868	0.2
109.10126	0.3
115.05466	0.2
116.02589	0.3
117.07021	0.3
119.04879	0.2
119.08543	0.4
120.02029	0.4
120.77424	0.2
121.06459	0.5
121.10052	0.3
131.04881	0.6
131.08513	0.5
133.02777	0.4
133.06511	0.3
133.10042	0.3
134.03627	7.8
135.11618	0.2
139.00226	0.4
144.02068	0.4
145.02808	0.2
145.10104	0.4
147.04376	1.6
147.11522	0.2
148.01523	0.2
149.02246	0.2
157.01332	0.2
159.04401	0.5
159.11665	0.4
161.02365	1.0
162.03122	11.8
162.09145	0.5
163.03702	0.6
172.01558	1.3
173.02335	4.6
173.09567	0.2
173.13292	0.3
174.02904	0.2
175.03864	0.5
177.04218	0.5
177.05629	1.3
178.06079	0.2
187.03845	0.6
187.14664	0.2
189.01787	0.7
189.05440	0.4
190.02625	5.2
191.03224	0.2
197.13214	0.2
200.01030	0.5
204.00549	0.5
205.03870	0.4
215.03436	0.3
215.14345	0.3
218.02095	100.0
219.02443	2.6
226.62617	0.2
233.04443	95.1
233.15018	1.5
233.18866	1.0
234.04755	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0443
Annotation	5-Hydroxyxanthotoxin
Peak:m/z	Relative Intensity
55.01884	0.5
61.02930	0.4
69.72025	1.8
75.66799	0.4
78.04701	1.8
78.25160	0.5
81.07027	0.6
91.05447	0.5
91.56293	0.4
93.07032	0.5
95.04908	0.5
95.08574	0.7
105.03349	0.5
105.06999	0.8
106.04179	2.1
115.32586	0.4
119.08521	0.7
121.06480	0.6
131.04887	0.7
133.02818	0.5
133.10052	0.5
134.03624	9.1
135.08051	0.5
147.04372	0.8
161.02333	1.6
162.03116	11.5
172.01561	1.7
173.02348	4.4
173.13202	0.6
177.05511	2.1
187.11122	0.4
190.02594	6.2
204.00580	0.8
218.02095	100.0
219.02495	2.0
233.04439	82.8
233.18916	0.7
234.04747	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0443
Annotation	5-Hydroxyxanthotoxin
Peak:m/z	Relative Intensity
56.33540	0.3
57.99559	0.3
67.05473	0.4
69.07056	0.4
70.22740	1.0
71.48910	0.3
73.59204	0.3
78.04712	1.8
79.05477	1.0
81.07046	0.7
82.95509	0.3
83.28453	0.3
89.03938	0.4
91.05460	0.7
93.07037	0.8
95.04960	0.4
95.08607	0.6
103.05508	0.6
105.03384	0.9
105.07011	0.9
106.04167	2.4
107.04982	0.4
107.08552	0.5
108.56378	0.3
116.02619	0.5
119.08549	0.8
121.06524	0.6
131.04926	0.9
131.08589	0.4
133.02861	0.6
133.06508	0.5
133.10132	0.6
134.03629	7.5
139.00208	0.4
144.02022	0.4
145.02852	1.2
145.10071	0.6
147.04430	1.5
149.05984	0.4
157.01225	0.4
159.04448	0.8
159.11757	0.6
161.02330	1.4
161.05920	0.6
162.03130	12.1
163.03777	0.7
172.01593	1.2
173.02330	5.5
173.13289	0.6
174.02907	0.4
177.05551	1.5
178.06142	0.4
187.03909	0.5
189.01750	0.5
190.02591	5.0
191.03082	0.3
200.01083	0.6
201.01787	2.0
204.00539	0.7
205.05080	0.4
215.10710	0.3
215.14365	0.4
218.02098	100.0
219.02432	2.7
233.04440	93.2
233.15071	1.4
233.19081	0.8
234.04785	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	233.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
61.83128	0.5
67.05490	1.3
69.07033	0.7
70.83302	1.2
78.04688	1.5
79.05469	1.2
81.07006	1.9
91.05467	1.3
93.07016	1.4
95.04893	0.5
95.08589	1.4
105.03388	1.3
105.07002	1.9
106.04153	2.3
107.08578	1.3
109.10162	0.7
119.08528	0.9
121.10113	1.0
131.04933	1.0
131.08562	0.7
133.02831	0.9
134.03633	7.5
135.11629	0.6
139.00206	0.7
145.10159	0.7
147.04359	1.1
147.11684	0.5
148.01564	0.6
149.09540	0.5
149.94687	0.5
159.07936	0.8
159.11652	1.4
161.02295	0.9
161.05937	0.6
162.03131	12.5
162.09161	0.6
172.01517	1.5
173.02344	4.7
175.03876	0.7
177.05501	1.6
187.14738	0.7
190.02568	5.4
191.14436	0.6
200.01080	0.6
204.00528	0.9
215.10568	0.7
215.17938	0.7
218.02098	100.0
219.02515	2.7
233.04442	94.7
233.15372	2.1
233.19031	1.5
233.22455	0.7
234.04794	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	233.0443
Annotation	5-Hydroxyxanthotoxin
Peak:m/z	Relative Intensity
51.06122	0.4
52.18525	0.5
55.55215	0.4
64.01073	0.5
71.18195	1.1
74.56982	0.4
78.04720	1.4
95.01350	0.5
95.08509	0.5
106.04186	2.0
131.04877	0.5
134.03633	8.3
147.04430	1.1
161.02312	0.9
162.03116	11.8
163.03856	0.5
172.01585	1.7
173.02386	4.6
177.05513	1.2
189.01881	0.6
190.02626	5.4
200.00876	0.7
218.02106	100.0
219.02420	2.6
233.04443	90.1
234.04774	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	233.0443
Annotation	5-Hydroxyxanthotoxin
Peak:m/z	Relative Intensity
53.03942	1.1
55.01875	0.7
57.01876	0.2
61.92402	0.2
67.05488	1.0
69.03419	0.4
69.07063	0.6
69.88904	1.4
77.03935	1.1
77.38254	0.2
79.05074	0.4
79.05495	6.4
81.07047	1.0
83.08625	0.3
91.05489	2.2
93.07034	1.1
95.04967	2.2
95.08605	0.7
103.05473	3.4
105.03394	1.0
105.04463	0.4
105.07004	1.7
107.04958	3.9
107.08573	0.6
109.06518	0.3
109.10235	0.3
115.05450	1.0
117.07018	0.8
118.04144	0.7
119.04957	0.6
119.08562	0.9
121.02835	0.3
121.06476	0.6
121.10107	0.7
131.04929	8.7
131.08562	1.0
133.02838	3.0
133.10114	0.9
135.04411	13.9
135.08040	0.4
135.11687	0.3
139.68094	0.3
140.93907	0.3
141.06911	0.3
143.08504	0.5
144.05724	0.4
145.06505	1.2
145.10138	1.3
146.03625	0.9
147.04425	1.4
147.05417	0.3
147.08051	0.8
147.11699	0.7
149.05981	2.6
149.09680	0.3
151.03902	4.3
155.06006	0.3
158.07225	0.4
159.04443	3.2
159.08035	0.6
159.11700	1.1
162.09148	1.0
163.03896	100.0
164.04233	2.2
165.15251	0.3
173.05945	0.6
173.09618	1.4
173.13271	0.5
175.11342	0.3
177.05469	4.9
177.09109	0.4
183.73106	0.3
187.03860	0.5
187.07590	0.4
187.11159	0.6
187.14825	0.3
188.07155	0.3
191.03392	27.3
192.03683	0.7
205.04965	1.1
205.08495	0.5
215.07016	0.3
215.10750	1.3
215.14310	0.7
215.17967	0.4
233.04440	67.0
233.11720	4.8
233.15396	1.4
233.18980	0.8
234.04774	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	233.0443
Annotation	5-Hydroxyxanthotoxin
Peak:m/z	Relative Intensity
50.35885	0.1
55.01826	0.2
64.03120	0.1
68.02599	0.1
70.46630	0.3
71.87770	0.1
78.04703	1.5
79.05431	0.1
81.03391	0.1
82.00501	0.2
89.03862	0.3
91.05479	0.5
93.03329	0.1
95.01294	0.4
103.05378	0.3
105.03376	0.6
105.06956	0.3
106.04170	2.5
115.05473	0.1
116.02579	0.5
118.04134	0.1
119.01169	0.1
120.02014	0.2
121.02837	0.2
121.06416	0.3
123.00756	0.1
125.47856	0.1
131.04922	0.6
133.02843	0.2
133.06461	0.2
134.03625	8.0
135.03935	0.1
139.00278	0.5
144.02090	0.5
145.02762	0.3
147.03378	0.2
147.04395	1.2
148.01512	0.2
149.02214	0.1
157.01244	0.2
159.04434	0.6
160.01544	0.1
161.02362	1.4
161.05910	0.3
162.03122	11.4
163.00323	0.1
163.03688	0.5
172.01550	1.3
173.02321	4.2
174.03027	0.2
175.03880	0.9
176.01160	0.1
176.04167	0.3
177.04326	0.8
177.05452	1.1
187.03810	0.5
188.01099	0.1
189.01768	0.6
189.05397	0.3
190.02646	5.1
191.03160	0.3
194.02127	0.1
200.01039	0.4
203.03426	0.1
204.00606	0.7
205.03642	0.5
215.03401	0.3
215.06975	0.2
217.01208	0.2
218.02092	100.0
219.02432	2.3
233.04442	86.3
234.04788	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	232.9971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98617	0.3
56.96566	100.0
57.03426	0.7
57.97048	0.4
57.97337	0.3
70.06594	0.5
71.13650	0.9
71.95271	1.5
72.08166	1.2
72.96060	1.3
74.97601	2.3
84.08165	0.6
84.96031	7.6
86.97631	1.1
97.99197	1.2
98.97585	13.8
100.99147	23.1
101.00893	3.7
102.97062	0.8
110.97570	12.3
112.95528	0.6
115.02488	0.7
116.98627	9.9
119.00187	12.2
119.01924	9.8
124.99143	0.5
125.45402	0.4
126.97041	4.1
127.02431	0.8
128.98604	20.1
130.93306	0.6
130.96542	0.6
131.01886	0.5
133.03496	2.3
134.96260	0.5
134.99666	5.2
137.01282	1.2
137.02942	2.0
140.00322	0.7
142.01801	0.4
143.00191	1.0
143.01939	1.5
144.98087	12.7
144.99202	0.7
145.03467	10.6
146.99655	19.3
147.97020	0.8
148.96016	0.5
148.97603	0.9
150.13194	0.4
150.99187	0.4
153.00761	0.8
156.00198	0.5
156.97629	1.5
157.03517	2.4
157.50560	0.5
158.92793	0.4
161.01303	1.2
161.03018	5.6
161.96700	0.8
162.99162	15.5
163.00510	0.8
163.04549	3.7
165.00726	16.6
165.02069	0.9
167.99857	0.4
169.96559	1.1
170.01318	1.0
170.97186	0.8
172.97554	4.5
173.02968	2.5
175.04535	4.2
176.93925	0.5
178.97096	0.8
179.98645	0.5
181.00182	2.3
182.99147	0.5
183.01816	6.6
183.96278	1.4
186.00859	0.6
186.96851	1.6
187.04594	0.9
188.95531	1.4
190.98627	20.6
191.04005	7.3
192.97021	0.5
195.96259	0.5
195.99106	0.6
197.00609	0.5
197.95993	5.9
197.98808	0.4
198.46207	0.6
198.97702	0.8
200.93912	1.2
204.96568	0.5
204.98183	0.6
205.00343	0.6
206.96509	8.4
207.46693	0.5
208.99687	39.7
209.46942	0.9
210.00029	0.9
214.00337	0.7
215.97229	1.1
218.47299	0.5
218.94836	0.8
218.96611	3.0
218.99078	0.5
219.98283	0.8
221.01524	0.7
227.00729	5.6
227.02553	0.5
227.97044	6.7
227.99225	0.5
228.47289	0.9
232.01349	1.8
232.99692	0.6
233.04887	3.0
239.47878	0.8
250.93221	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23201	0.7
55.95757	0.7
56.96565	100.0
69.03418	1.2
69.90359	4.2
72.08141	3.3
72.96043	2.0
74.25310	0.7
74.97612	3.1
84.96033	9.3
86.97592	0.9
89.13434	0.7
93.16701	0.8
95.87418	0.7
97.99204	1.3
98.97584	17.8
100.99147	27.2
101.00867	5.1
102.97027	1.1
108.80347	0.7
110.97560	11.8
115.02413	1.2
115.71311	0.7
116.98608	11.5
118.99326	0.9
119.00183	17.3
119.01929	11.6
126.97064	4.8
127.02389	1.3
128.98607	19.1
128.99574	1.0
133.03496	4.6
134.99658	7.9
137.01233	1.6
137.02948	2.5
142.01834	0.9
143.00223	1.4
143.01913	2.5
144.98080	18.0
145.03459	16.8
145.98729	1.2
146.99644	21.8
147.97044	1.2
151.00803	1.0
154.96509	1.2
156.97401	1.2
157.03497	5.9
158.99664	0.9
159.83792	0.8
161.01628	1.2
161.02956	10.6
162.99153	20.6
163.04550	7.6
164.83003	0.8
165.00723	21.1
169.96529	1.0
170.01353	0.9
170.97131	0.9
172.97551	8.2
173.02939	5.3
175.04510	10.8
177.00703	0.8
181.00215	2.7
183.00386	1.1
183.01797	10.8
183.96236	1.2
186.01109	1.4
186.96796	1.9
187.04529	2.0
188.02359	1.6
188.98953	0.8
190.98615	32.0
191.04015	16.4
191.98755	1.3
192.98793	1.1
197.95990	6.2
198.11134	1.0
198.97604	1.8
200.00990	0.9
204.96664	1.0
206.96492	8.5
208.99686	64.6
209.95702	1.1
209.99789	1.3
214.00229	1.8
215.97050	1.0
218.96533	2.7
219.00027	0.8
219.98154	1.0
221.01457	1.8
223.97858	0.9
227.00740	9.9
227.97047	9.2
227.99438	1.3
228.47221	1.2
232.01282	2.6
232.99669	1.6
233.04839	3.5
233.06366	9.2
250.93127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.2059
Annotation	Muscopyridine
Peak:m/z	Relative Intensity
53.03935	0.3
53.25340	0.2
53.38443	0.2
55.01853	0.5
55.05499	0.4
59.04981	0.3
65.03926	0.3
67.04225	0.3
67.05501	1.1
69.03423	0.4
69.07053	0.6
70.03726	0.2
70.06590	3.8
71.04978	0.7
71.52564	0.4
72.00893	0.5
74.09143	0.2
75.98817	0.2
76.07679	0.2
79.05494	1.4
81.03401	0.4
81.07060	1.8
82.07368	0.3
83.07342	0.7
84.08115	0.3
85.02882	0.2
91.05472	1.6
92.05810	0.3
93.07038	1.5
94.06535	0.5
95.04948	0.5
95.07348	0.7
95.08586	0.7
96.08093	0.4
103.05435	0.4
104.04945	0.2
105.03383	0.6
105.07030	2.3
106.07283	0.3
107.04977	0.3
107.07358	0.3
107.08573	1.0
108.08121	1.3
110.09682	0.2
115.05416	0.6
116.06240	0.3
117.06994	0.7
118.06522	0.3
119.04930	0.3
119.08614	1.3
120.04299	0.2
120.08104	4.4
120.08936	0.4
121.02826	0.4
121.06480	0.3
121.08894	1.5
121.10120	0.3
122.09634	1.2
127.03898	0.2
128.06201	0.6
129.06953	0.7
131.04901	0.3
131.08533	1.0
132.04466	0.5
133.02850	0.3
133.06491	0.3
133.08885	0.5
133.10049	0.4
134.09642	1.5
134.10533	0.3
134.25601	0.3
141.06958	0.3
143.08534	0.3
144.05650	0.4
144.08934	0.3
145.06468	1.3
145.10182	1.1
146.06030	0.6
146.09544	1.3
147.04355	0.3
147.08051	0.4
147.10428	0.4
147.11639	0.2
148.04784	0.2
148.11205	2.3
149.11993	0.3
150.11646	0.4
150.12776	5.3
151.03925	1.1
152.04300	0.2
158.09575	0.4
159.04543	0.3
159.08040	1.1
159.11662	0.3
160.11147	1.3
161.09624	0.5
161.12033	0.5
162.05484	0.6
162.09071	0.5
162.12772	0.5
172.05225	0.4
173.05954	0.3
173.09615	0.6
173.13184	0.4
174.12770	4.3
174.14268	0.2
175.03983	0.2
175.11119	0.2
175.13426	0.4
176.04286	0.7
176.14311	0.5
177.05431	0.2
177.09032	0.3
186.09135	1.1
186.13608	0.7
187.03915	0.3
187.07532	2.0
187.11172	0.6
187.14806	0.2
188.14354	3.3
189.05417	0.3
189.12784	0.2
190.05974	0.7
190.09422	0.5
190.15894	3.3
191.10698	0.3
200.04768	0.6
202.15901	1.7
203.16678	7.0
204.10258	0.2
204.17238	0.5
205.08562	0.7
214.08722	0.6
214.10738	0.5
214.12798	0.3
215.07040	3.5
215.10506	0.4
218.02084	0.8
230.18956	0.2
231.22047	0.2
232.09988	0.8
232.11729	1.7
232.20589	100.0
233.04602	1.2
233.08107	3.0
233.11722	1.1
233.15134	1.0
233.18832	0.3
233.20930	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	232.1543
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
55.05494	0.4
57.03434	0.8
58.06597	0.6
59.07368	0.3
60.08166	8.9
69.03429	0.7
70.03781	0.4
70.06593	3.6
70.70629	0.5
70.70975	0.3
71.04991	2.3
72.08159	2.7
73.08489	1.3
73.91776	0.2
74.06104	0.3
81.03435	0.4
81.07076	0.3
84.08155	1.0
85.02905	100.0
86.03242	1.0
86.09724	1.7
87.00820	0.3
87.10047	0.9
97.02885	0.3
98.97565	0.3
110.07212	0.3
112.07649	0.3
116.07111	0.3
124.11248	0.9
129.07904	0.4
130.59877	0.2
144.10167	1.6
170.11760	7.3
173.08101	10.6
186.13632	0.4
192.86287	0.2
214.08490	0.2
214.10704	0.9
232.06032	0.4
232.12076	3.3
232.15443	25.8
233.15773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70668	0.5
54.38890	0.6
55.01868	0.7
55.05495	2.5
57.07066	1.4
58.06601	0.5
65.03928	0.7
67.05180	0.7
67.05505	7.9
69.03422	1.6
69.07066	0.8
69.76532	0.5
70.06596	3.9
71.04976	1.5
71.08607	0.7
71.53235	0.7
72.00867	0.8
79.05495	0.8
81.07025	0.9
85.02938	0.6
85.06535	1.6
87.12762	0.6
88.07621	2.9
91.05457	2.2
92.05001	1.1
92.05794	1.2
93.07044	0.8
95.04967	7.8
103.05508	1.0
105.07012	1.6
106.06538	0.8
106.07363	1.0
106.08659	1.6
113.06014	3.1
115.05385	1.2
117.06985	1.6
118.06543	1.0
120.04469	4.9
121.02821	0.8
121.06503	0.9
128.06209	0.7
129.07030	0.8
130.06494	1.5
131.04967	0.7
131.08527	1.0
132.04439	1.4
132.05293	1.2
133.02782	1.2
133.06429	0.7
135.04384	0.8
143.07281	2.6
143.08429	1.4
143.82426	0.6
144.08037	6.3
144.08937	0.8
145.02896	0.6
145.06490	1.6
146.02370	7.2
146.05952	1.5
147.04391	1.4
148.04715	2.2
151.03883	2.2
154.06491	1.1
158.06000	4.7
158.09616	7.9
159.08022	1.2
159.11803	0.7
161.05949	0.8
162.05373	3.3
162.09174	0.7
163.03873	1.2
167.07300	3.1
168.08083	8.4
169.06442	0.9
172.07527	6.0
174.05511	2.4
175.03856	2.5
176.04231	5.6
177.05466	1.9
178.05807	3.5
184.07498	1.6
186.09126	25.4
186.13583	1.3
187.07538	1.7
188.07007	0.8
189.05356	0.8
190.05865	4.4
190.09409	1.7
191.10588	0.7
196.07579	24.9
199.06313	1.7
204.03731	1.2
204.10187	1.2
205.08589	1.3
214.08623	100.0
214.21548	1.3
215.08966	1.6
218.02127	2.7
232.03180	2.6
232.06186	1.9
232.09668	14.0
232.14172	1.3
232.16722	1.2
232.22723	12.2
233.04527	2.8
233.08018	1.3
233.11841	0.9
233.15199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0968
Annotation	Bruceolline I
Peak:m/z	Relative Intensity
55.05589	0.4
57.06911	0.3
57.07173	0.8
65.04053	0.9
67.05226	0.8
67.05610	5.5
68.75207	0.2
69.03532	1.3
69.06831	0.2
69.07159	0.6
69.92670	1.3
70.03839	0.4
70.06699	1.6
71.05099	1.0
72.00965	0.6
79.05583	0.4
81.02224	0.3
81.07205	0.2
83.05069	0.4
85.02995	0.3
85.06664	1.5
88.07747	1.4
91.05592	0.7
92.05151	0.9
93.78831	0.3
95.04435	0.4
95.05086	7.1
103.04071	0.3
105.03496	0.4
105.07109	0.3
106.06699	0.7
106.07535	0.3
106.08791	0.8
107.05053	0.4
109.03002	0.3
113.05991	2.8
115.05581	0.7
116.05058	0.3
117.05843	0.4
117.07097	0.6
118.06677	1.0
120.04467	5.4
121.03003	0.3
128.06313	0.5
129.07101	0.3
129.69754	0.3
130.06517	1.7
131.04993	0.3
131.08653	0.4
132.04472	1.5
134.10536	0.3
141.07085	0.6
143.07388	2.7
143.08427	0.6
144.05731	0.3
144.08063	5.3
145.06525	0.7
145.10201	0.4
146.02367	8.0
146.06081	1.1
146.10579	0.4
147.31110	0.3
151.04015	0.9
154.06599	0.4
158.06018	4.3
158.09628	9.0
159.08109	0.6
161.09654	0.5
162.05511	3.5
167.07321	3.6
168.08084	8.6
170.06029	0.5
170.09628	0.4
171.06773	0.7
172.04001	0.3
172.07539	5.5
173.09662	0.3
174.05504	2.1
175.03993	1.0
175.06244	0.3
176.04280	1.0
177.05481	0.4
178.06667	0.4
184.07629	1.2
186.09132	27.0
186.13641	0.8
187.07632	0.8
187.09439	0.3
188.07133	0.4
189.05554	0.3
190.05899	0.3
190.09505	1.5
196.07568	25.6
197.07932	0.6
199.06245	1.8
204.10207	0.9
214.08623	100.0
214.21620	0.6
215.08876	2.1
218.02077	0.5
232.03177	0.5
232.06282	0.6
232.09674	11.4
232.11777	1.5
232.14014	1.0
232.16901	0.8
232.22716	8.2
233.04483	0.9
233.08037	1.0
233.11674	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	100.0
57.03431	5.7
60.04510	2.2
60.95853	5.1
61.02929	3.5
69.03429	5.6
70.06205	3.7
70.06593	75.3
71.03718	4.5
71.95322	2.2
72.08145	10.8
72.96059	4.5
73.02919	8.0
74.97610	3.8
81.03420	3.8
84.08146	37.8
84.96030	6.6
85.02895	13.6
97.02905	6.6
97.99198	2.8
98.97585	98.9
99.97842	1.8
100.97198	1.9
100.99158	17.0
101.00895	4.5
102.00990	4.0
102.96897	3.3
103.02415	2.5
104.02552	5.2
104.10760	2.4
110.97578	13.4
112.99125	2.9
116.07112	5.7
116.98627	62.5
119.00236	9.1
119.01204	2.3
119.01907	16.0
120.02016	16.0
120.97887	3.4
121.01630	2.9
126.97085	2.5
127.03957	4.2
128.98599	21.8
129.10222	2.5
130.08635	7.6
131.00134	4.7
131.01897	2.5
133.03464	2.4
133.06075	4.5
134.99670	20.7
136.05190	2.0
137.02942	2.5
138.03131	2.7
140.00166	2.7
140.02296	3.8
142.08681	2.8
142.79964	1.9
143.00128	2.3
144.98090	10.2
145.03459	5.5
145.05074	1.8
146.02502	3.2
146.03630	11.7
146.99658	15.7
148.01523	7.5
149.01228	8.3
153.00662	2.5
154.01796	9.4
154.55063	2.3
155.02888	2.8
158.01187	2.1
158.99690	5.6
160.02879	4.3
161.01366	3.6
161.02959	8.1
162.03145	5.4
162.99152	12.6
164.03447	1.9
164.04684	7.4
165.00729	13.4
167.02258	3.3
170.99724	2.3
172.01558	3.0
172.02748	11.0
172.97612	6.6
173.02994	2.4
177.00705	2.6
177.04185	2.9
178.03693	3.0
180.98303	2.1
182.03412	6.3
183.01866	3.6
186.04414	8.9
188.02353	4.7
189.00798	4.2
189.02463	4.5
189.05853	2.2
190.02402	24.3
190.04160	12.8
190.98647	15.9
191.02290	7.5
191.03979	7.8
200.04482	8.4
204.05391	2.4
206.03395	5.5
207.01801	2.6
208.03358	4.0
208.05241	10.1
208.99693	35.6
209.03099	2.6
209.04990	7.8
214.00609	4.0
214.03862	75.5
214.10793	2.4
219.01733	3.4
227.00787	6.1
232.01251	4.4
232.04977	84.3
232.11836	8.1
233.06447	1.8
237.02635	2.4
250.05940	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	232.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07032	2.2
50.17513	1.8
52.37214	2.2
52.37453	2.0
55.01865	3.2
55.05491	2.5
56.96563	97.3
57.03432	8.9
60.95846	2.9
61.02908	4.4
67.05474	2.1
69.03428	7.4
70.06203	3.7
70.06590	75.4
71.04970	2.3
71.95253	3.3
72.08154	12.9
72.96049	4.3
73.02923	10.9
74.97582	2.1
78.31761	1.9
81.03435	5.0
84.08139	33.2
84.96047	8.4
85.02901	13.1
85.08517	2.1
87.05582	2.2
88.46904	2.1
97.02901	7.8
97.99193	2.5
98.97581	100.0
100.99149	19.5
101.00891	4.1
102.00975	2.6
104.01340	2.1
104.02550	3.5
105.36993	1.8
109.02882	3.3
110.97579	16.7
112.99155	2.2
115.08738	2.0
116.07092	4.0
116.98613	66.6
119.00172	12.9
119.01885	13.1
120.02024	10.7
120.97933	1.9
121.01650	2.7
122.03713	2.4
126.97060	2.7
127.03937	3.6
128.98596	24.2
129.10216	2.2
130.08630	5.5
131.00165	4.7
131.01898	3.4
133.06084	3.7
134.99644	24.3
136.05087	3.3
137.02962	2.5
138.03090	5.1
140.02293	3.2
142.01749	2.2
143.00145	4.2
144.10301	2.6
144.98090	13.1
145.03493	3.3
146.02403	3.7
146.03622	8.5
146.99640	17.4
147.01390	3.0
147.35721	1.9
148.01523	5.2
149.01199	11.6
149.02911	2.6
152.02284	2.0
152.07109	3.9
153.00732	2.1
154.01758	9.4
155.02826	5.4
158.01309	3.2
158.99660	5.6
160.02707	3.9
161.01303	3.9
161.02940	8.5
162.03142	3.5
162.99135	13.0
164.04695	6.8
165.00679	12.2
166.02615	3.1
167.02451	2.7
168.03339	2.0
170.99673	6.1
172.01578	3.5
172.02878	11.9
172.97667	6.4
173.01201	1.9
173.02942	3.3
177.00755	6.5
182.03363	10.2
183.01790	5.4
186.04419	10.8
188.02313	4.2
189.00746	8.5
189.02342	3.2
190.02391	20.6
190.04140	11.5
190.98669	19.3
191.02330	7.8
191.03969	10.7
200.02573	2.8
200.04448	7.8
201.00795	4.3
204.05545	5.2
206.03407	3.8
208.05185	11.3
208.99673	46.0
209.03114	3.7
209.04971	8.2
211.55286	2.4
214.03865	87.8
214.10803	3.1
218.07149	2.4
219.01840	5.8
227.00868	5.8
232.01300	4.9
232.04991	87.0
232.11839	12.9
233.06502	2.5
233.10315	2.5
237.02937	4.0
250.05968	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	231.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
53.03950	4.4
55.01851	1.2
55.02133	0.3
55.05273	0.4
55.05514	6.5
56.05008	0.6
56.96545	0.5
57.03418	1.3
57.05803	0.4
59.04983	0.5
60.04496	0.4
61.02917	0.5
67.05487	0.7
68.99800	0.8
69.03431	33.2
69.07057	1.0
69.29070	0.5
69.29478	2.7
70.03763	0.7
70.06599	3.7
70.10054	0.3
71.05002	4.2
72.08157	61.0
73.08488	0.6
74.06076	0.6
77.03914	0.7
78.79644	0.3
79.05495	1.4
81.03421	15.1
81.07059	2.5
83.01344	0.5
84.04504	0.6
84.07635	0.5
84.08144	8.5
85.02908	12.9
86.09709	5.7
87.00838	6.2
87.04468	0.3
89.18500	0.3
91.05489	1.6
93.07052	0.8
95.04968	1.3
95.08625	0.9
97.02896	8.4
97.06537	2.3
98.20753	0.4
98.97599	0.7
99.04459	9.2
103.05489	0.3
105.01963	1.8
105.03393	79.3
105.07023	2.4
106.02920	0.4
106.03748	1.0
107.04964	0.5
107.08630	0.7
109.02881	5.4
110.07198	0.5
111.00795	0.4
111.04455	0.5
112.07579	0.4
115.05480	0.5
116.07151	0.3
117.07035	1.0
119.04974	0.4
119.08605	1.2
120.08128	0.7
121.02942	0.4
121.10143	0.6
127.03918	8.5
127.04800	0.5
128.06239	1.3
129.07036	1.1
129.10281	1.2
130.06606	0.4
130.07761	0.5
131.08606	1.8
132.10196	1.7
133.02885	0.4
133.06558	0.3
133.10190	0.7
134.06007	5.8
135.04456	0.5
136.06201	2.2
141.07062	0.4
142.07819	0.8
143.08574	2.6
145.04990	0.9
145.10144	1.9
147.04477	0.7
147.08058	0.4
151.07716	0.4
157.06560	1.1
157.10144	1.8
159.06416	0.6
159.08124	0.4
159.11769	0.6
160.05289	0.4
161.06058	0.5
161.09697	0.7
162.09142	100.0
163.09521	2.0
171.04491	1.3
171.08105	0.8
171.11783	0.6
173.09709	0.7
175.04034	1.0
175.07622	1.1
185.06041	0.6
185.09657	0.6
185.13258	4.1
186.05592	0.4
189.05557	0.6
189.09195	0.6
193.85393	0.3
195.11839	0.4
196.13417	0.4
203.07100	0.4
203.10814	0.5
203.14378	0.7
213.03995	0.7
213.12865	1.0
231.05078	1.3
231.06770	1.2
231.10179	1.8
231.15173	12.1
231.17212	1.5
232.06071	0.7
232.11911	4.4
232.15459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1017
Annotation	Demethylsuberosin
Peak:m/z	Relative Intensity
53.03927	0.3
55.05510	2.0
57.07051	0.3
62.66394	0.2
65.03921	0.6
67.05501	1.5
68.99745	0.3
69.03400	0.4
69.07052	0.6
70.04326	1.1
72.76076	0.3
79.05485	1.7
81.07066	1.8
83.01316	0.6
83.08558	0.3
88.80645	0.3
89.03902	0.4
91.05482	11.6
93.07034	1.5
94.85339	0.3
95.04951	0.5
95.08603	1.5
98.21457	0.3
100.14973	0.2
103.05463	1.9
105.03403	0.6
105.06396	0.3
105.07027	3.4
107.08566	1.0
109.02876	0.7
109.10160	0.5
115.05409	0.9
117.07024	1.5
117.62978	0.3
119.04935	6.2
119.08575	2.1
121.06490	0.7
121.10123	0.6
128.06203	0.8
129.07001	1.7
131.04916	2.0
131.08568	1.8
133.06471	1.0
133.10101	1.3
135.11732	0.7
136.57231	0.3
142.07774	0.9
143.08562	3.0
145.02838	0.4
145.06439	0.3
145.10086	2.1
147.04410	18.6
147.08038	0.4
147.11642	0.9
149.05992	0.4
149.13231	0.6
151.07556	0.4
157.06496	0.5
157.10117	1.7
159.04549	0.3
159.08032	0.4
159.11716	1.5
160.01544	0.6
161.06017	1.4
161.09627	0.7
161.13248	0.6
162.09135	0.4
170.10863	0.5
171.08043	0.9
171.11694	1.1
173.09564	0.6
175.03908	100.0
175.11061	0.6
175.14749	0.4
176.04257	1.1
177.04102	0.4
177.05492	4.7
185.13246	4.5
187.03873	1.0
187.14792	0.4
188.01096	1.6
189.05486	6.2
189.09123	0.9
189.12723	0.5
195.11748	0.5
202.07898	0.6
203.03343	2.0
203.06993	1.1
203.08739	0.5
203.10648	1.0
203.14378	0.5
213.05530	0.3
213.12805	1.2
213.16391	0.5
216.06641	1.1
231.02919	5.1
231.06517	2.5
231.10182	17.8
231.13634	4.1
231.17464	1.2
231.21059	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	231.1014
Annotation	Demethylsuberosin
Peak:m/z	Relative Intensity
55.05478	1.4
65.03925	0.7
67.05480	1.0
71.53035	0.5
71.53455	0.5
75.17706	0.5
77.70895	0.4
79.05447	1.7
81.07018	1.8
83.08551	0.6
91.05482	10.7
93.06998	1.7
95.08585	2.0
103.05420	1.5
105.03364	0.7
105.07028	2.7
107.08570	2.0
109.10139	1.4
115.05409	0.5
117.06972	1.0
119.04935	5.8
119.08549	1.3
121.06458	0.7
121.10177	0.7
123.11694	0.5
128.06187	0.8
129.06960	1.0
131.04910	1.6
131.08542	2.0
133.06458	0.5
133.10092	0.8
135.11658	1.4
142.07777	0.8
143.08580	2.3
145.10107	1.9
147.04405	18.0
147.08049	0.6
147.11639	0.7
157.10117	2.2
159.11667	1.4
160.54553	0.5
161.05959	0.8
161.13249	1.4
161.46977	0.6
162.09177	1.0
171.08051	0.5
171.11693	0.6
175.03906	100.0
175.14763	0.9
176.04207	0.9
177.05510	3.1
185.13243	3.7
187.14781	0.7
188.00955	0.7
189.05492	4.7
203.03549	1.0
203.07088	0.9
203.10657	0.7
213.12726	1.2
213.16357	0.6
216.06502	1.2
231.02838	2.5
231.06560	1.2
231.10182	16.4
231.13649	4.3
231.17470	2.0
231.21103	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	231.1015
Annotation	7-Isopentenyloxycoumarin
Peak:m/z	Relative Intensity
54.55699	0.3
55.05515	0.3
55.93515	0.5
65.03922	0.5
67.05484	0.3
69.07069	5.0
71.44025	0.4
79.05487	0.3
81.07040	0.7
91.05482	9.4
93.07055	0.3
95.08622	0.3
104.28802	0.2
105.03404	0.4
105.07047	0.7
107.04956	12.1
109.02826	0.5
117.07027	0.3
119.04945	11.7
119.08612	0.3
131.04961	0.5
131.08551	0.3
134.03638	3.2
135.04373	0.8
137.01813	0.5
143.08556	0.7
147.04410	3.1
157.10110	0.5
158.24184	0.2
160.01575	0.4
162.03058	0.4
163.03903	100.0
164.04286	1.6
175.03911	20.7
176.04292	0.5
177.05482	0.6
178.12624	0.3
184.31645	0.3
185.13284	1.4
187.03761	0.3
188.01073	0.6
189.05492	0.7
199.00415	0.9
203.03371	1.4
208.00935	4.8
208.51053	0.8
216.93782	0.2
219.51697	1.1
228.97997	0.4
231.02945	2.3
231.06462	0.8
231.10164	31.7
231.13887	0.9
231.59691	0.3
232.10536	0.6
237.00792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1016
Annotation	Demethylsuberosin
Peak:m/z	Relative Intensity
54.89578	0.6
55.01875	44.8
55.05499	2.6
58.06587	1.1
65.03932	1.0
68.99775	1.4
69.03439	1.1
69.07059	0.9
69.44397	5.3
76.97001	0.6
79.05477	1.5
81.07051	1.9
89.03923	3.7
91.05476	13.1
93.07044	1.1
95.05008	0.8
103.05470	3.4
105.07036	7.0
107.04973	2.0
109.02876	2.1
115.05479	1.1
117.07005	1.9
119.04950	9.7
119.08614	2.2
121.06546	0.7
128.06213	2.5
128.45523	0.8
129.07013	2.1
131.04929	5.8
131.08598	1.5
133.06516	4.7
133.10129	2.1
135.04388	3.8
142.07846	0.9
143.08585	5.4
143.75932	0.8
145.02878	1.6
145.06491	1.2
145.10120	1.3
146.42696	0.7
147.04417	50.7
147.08037	10.4
148.04784	0.8
157.06479	1.1
157.10150	2.1
159.04433	8.9
159.11632	0.9
160.01572	4.0
161.06029	5.8
161.09622	16.2
171.04254	0.7
171.08078	4.6
174.06822	4.5
175.03914	56.2
175.07555	1.5
175.11176	1.6
176.04477	2.0
177.05519	5.5
177.09079	1.0
177.45882	0.7
185.09630	1.3
185.13252	3.8
187.03975	1.0
188.01088	7.8
188.08231	0.8
189.05489	80.5
189.09106	75.9
190.05937	1.0
190.09430	2.0
203.03416	10.7
203.07056	5.3
203.10588	4.0
203.14348	0.9
207.06412	0.8
213.05510	1.7
213.09103	1.5
213.12497	0.8
230.08168	1.5
230.27370	1.2
231.02919	25.0
231.06914	6.3
231.10185	100.0
231.13913	4.6
231.25125	3.8
232.03319	0.8
232.10493	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	231.1015
Annotation	Demethylsuberosin
Peak:m/z	Relative Intensity
50.47741	0.1
61.30226	0.1
65.03926	0.4
68.00586	0.2
69.86488	0.8
72.96014	0.1
77.03919	0.1
91.05482	9.5
98.21420	0.3
103.05460	0.5
105.07027	0.2
119.04946	5.2
121.02927	0.2
123.50558	0.1
131.04918	0.4
133.06476	0.2
147.04411	18.1
164.07413	0.2
164.28746	0.2
175.03906	100.0
176.04208	1.1
189.05475	2.0
216.06531	0.6
219.54796	0.1
231.10175	7.7
250.67130	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	231.1015
Annotation	Demethylsuberosin
Peak:m/z	Relative Intensity
53.03939	1.5
55.01860	0.6
55.05515	15.1
57.07057	0.4
65.03929	0.8
68.99802	1.0
69.07071	0.6
69.85501	1.8
79.05484	2.0
83.01345	4.7
91.05489	12.8
95.04963	1.3
103.05475	8.1
105.07034	4.8
107.04923	0.7
109.06514	0.7
115.05439	1.0
117.06998	0.9
119.04945	6.9
119.08577	0.8
121.02881	0.4
121.06510	4.7
128.06236	0.4
129.06976	1.1
131.04932	13.4
131.08545	0.4
132.05727	0.4
133.06497	4.8
133.10199	0.5
142.07770	0.9
143.08583	0.6
145.06480	1.1
147.04411	22.3
147.08043	0.8
147.11714	0.9
148.04919	0.4
149.06001	1.0
151.03914	0.8
157.06357	0.4
157.10176	0.9
159.04536	0.5
160.08849	0.6
161.05992	8.9
161.09512	0.4
174.06770	0.7
175.03914	100.0
175.11224	2.6
176.04240	1.4
177.05478	42.9
178.05786	0.6
179.56006	0.7
185.09689	0.7
185.13336	0.5
187.07695	0.4
187.11215	1.1
188.08330	1.5
189.05475	40.6
190.05867	0.7
190.30527	0.4
201.05478	1.1
203.03419	0.4
203.07033	3.6
203.08656	0.4
203.09036	0.5
203.10693	4.6
213.09099	0.9
215.07065	0.6
216.07903	0.8
231.10178	78.7
232.10483	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1015
Annotation	Demethylsuberosin
Peak:m/z	Relative Intensity
55.01875	3.5
55.05497	0.4
65.25496	0.4
68.99795	4.6
69.07069	1.1
69.68961	2.5
79.05495	1.5
91.05479	6.3
95.04968	0.8
103.05469	8.1
105.07021	1.2
107.04955	2.6
115.05457	0.4
119.04951	7.2
131.04953	2.2
133.06487	1.6
145.06502	0.6
147.04408	11.2
147.08051	1.1
148.05196	1.7
159.04427	0.6
161.05992	1.5
161.09593	1.5
173.09569	0.5
174.06773	0.5
175.03908	99.3
176.04651	7.0
177.05484	0.9
185.09399	0.5
187.03893	1.9
189.05478	18.8
189.09085	6.7
190.05910	0.5
203.07010	1.2
203.10779	0.5
210.67757	0.4
231.10164	100.0
231.25058	0.6
232.10468	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	231.1015
Annotation	Demethylsuberosin
Peak:m/z	Relative Intensity
65.03941	0.5
69.00230	0.2
69.86967	0.4
69.87381	0.8
91.05483	9.3
97.60918	0.2
103.05475	0.7
119.04942	5.8
121.02985	0.3
133.02867	0.4
138.50549	0.2
147.04410	18.3
175.03906	100.0
176.04248	1.3
189.05502	1.8
216.06558	0.4
231.10164	8.8
250.58365	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1016
Annotation	Hibiscoquinone C
Peak:m/z	Relative Intensity
53.03934	4.5
55.01873	26.3
55.05275	1.6
55.05514	18.1
59.77497	1.1
59.98513	1.0
60.91753	0.9
67.05488	3.4
69.03072	1.6
69.03432	18.9
69.03784	2.2
69.07045	2.8
69.34268	8.9
71.04980	2.9
77.03917	2.3
79.05493	10.8
81.03417	9.9
81.07056	7.4
83.01328	1.4
83.04988	7.6
85.02906	7.6
87.00818	2.2
89.03906	1.0
91.05486	17.6
91.06039	2.0
93.07053	5.6
95.04956	4.4
95.08607	4.8
97.02877	3.6
99.04450	4.0
102.04671	1.3
103.05476	9.4
105.03400	10.0
105.04553	1.2
105.07032	45.1
107.04949	5.8
107.08587	3.2
109.02885	5.1
109.06504	1.6
109.10134	2.1
111.04440	1.2
115.05447	10.9
116.06255	1.3
117.07040	8.9
118.04099	0.9
119.04909	4.6
119.08592	6.9
120.05657	1.2
121.02792	1.2
121.06502	4.5
121.10148	1.7
127.03944	4.7
128.06221	9.0
129.07019	13.8
131.04929	19.0
131.08554	8.3
132.05679	2.0
133.02852	5.9
133.06493	52.3
133.10139	5.3
135.04414	3.6
135.08060	1.6
141.06999	9.2
142.07765	13.1
143.04936	5.0
143.08565	15.5
144.05707	4.9
145.06496	14.1
145.10110	8.3
147.04428	15.6
147.08046	6.0
147.11665	3.1
148.05208	8.8
149.05980	4.2
151.03911	8.1
151.07550	1.8
152.06198	9.9
153.01843	17.4
153.07001	2.3
154.07678	1.1
155.04933	1.7
155.06078	2.1
155.08531	2.4
156.09264	1.9
157.06488	13.9
157.10132	18.0
158.07196	1.5
159.08046	6.4
159.11700	3.4
160.05283	2.0
161.05988	89.5
161.09598	5.8
161.13251	1.3
162.09140	3.3
165.06990	10.0
166.07785	2.5
167.07314	0.7
167.08566	18.4
169.06474	9.2
170.07266	20.9
170.10947	2.0
171.04391	1.8
171.08038	16.7
171.11650	6.0
173.06012	6.1
173.09618	3.0
173.13258	1.3
175.03911	41.9
175.07475	5.3
175.11154	8.0
177.05478	14.0
177.06895	2.1
181.06468	3.6
182.07236	2.6
183.08032	5.4
185.06067	2.9
185.09619	47.5
185.13206	13.5
187.07649	4.9
188.00993	2.3
189.05479	21.3
189.09120	13.2
189.12724	2.0
195.08057	80.4
196.08463	1.1
197.05977	2.9
198.06738	6.8
199.03833	1.2
200.08374	1.5
201.05443	1.4
203.03427	2.7
203.07091	2.8
203.10690	11.4
203.14293	3.1
213.05754	1.3
213.09105	29.0
213.12492	5.3
213.16296	1.8
231.03003	6.1
231.06650	14.5
231.10164	100.0
231.13585	17.0
231.17270	7.6
231.19176	1.5
231.21178	2.1
232.10304	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1014
Annotation	Demethylsuberosin
Peak:m/z	Relative Intensity
50.01581	0.7
51.02372	1.0
53.03947	4.5
55.01865	3.0
55.05510	11.8
57.03423	0.9
57.07069	1.0
62.69587	0.4
65.03935	1.0
67.05484	2.1
68.99776	2.1
69.03428	24.3
69.07056	1.5
69.38693	1.7
69.39116	1.9
70.06581	0.7
70.61465	0.4
71.01343	0.4
71.05000	2.8
72.08155	2.9
77.03522	0.7
77.03926	7.4
78.46349	0.4
79.05497	5.4
81.03419	11.7
81.07056	3.7
83.01344	4.2
85.02434	0.8
85.02907	10.0
85.06547	3.5
86.09699	0.6
87.00838	4.8
91.05476	14.8
92.05820	0.4
93.07056	4.0
95.04973	4.5
95.08579	1.5
97.02883	3.6
97.06522	1.0
97.50587	0.5
99.04454	7.1
103.05462	8.7
105.03384	8.3
105.04480	0.9
105.06320	0.5
105.07027	9.3
107.04949	4.6
107.08602	1.6
109.02870	4.4
109.06505	1.4
109.10135	0.7
115.05453	4.4
116.06248	0.8
117.06993	4.3
118.04144	0.5
119.04943	4.2
119.08582	3.6
121.02853	1.0
121.06493	4.9
121.10110	0.6
123.04391	0.8
123.07990	0.4
127.03900	6.5
128.06201	4.3
129.07004	5.8
130.07774	0.5
131.04922	15.5
131.08566	6.2
132.05684	1.6
133.02849	39.1
133.06490	7.3
133.10097	2.3
135.04430	7.4
135.11707	0.4
141.07004	2.9
142.07782	8.2
143.04904	1.3
143.08560	5.0
144.05727	4.0
144.09258	0.5
145.04900	0.6
145.05318	0.6
145.06487	7.4
145.10112	5.2
147.04405	17.2
147.08057	3.8
147.11694	1.2
148.04950	0.6
149.02361	0.6
149.05983	1.6
149.09612	0.5
151.03896	29.5
152.06213	2.0
153.01791	2.4
153.06996	1.3
155.06036	1.1
155.08549	2.0
156.09360	1.1
157.06490	5.6
157.10136	5.6
158.07297	3.9
159.04440	1.3
159.08022	4.5
159.11668	2.2
160.05179	1.5
161.02362	0.8
161.04829	0.9
161.05992	9.4
161.09608	2.3
162.09076	2.3
163.03958	0.8
165.07002	1.4
167.08607	2.2
169.06476	1.6
170.07217	3.3
170.10849	0.8
171.04376	1.8
171.08035	6.0
171.11642	1.8
172.08833	0.9
173.06006	1.3
173.09581	2.5
173.13322	0.7
174.06793	1.0
175.03906	40.9
175.07503	3.2
175.11201	3.2
175.22940	0.5
176.04654	3.3
177.05475	36.9
178.05829	0.5
183.08035	2.4
185.05917	2.3
185.09607	4.6
185.13208	4.7
186.03195	0.5
187.07539	2.0
187.11180	1.8
187.14885	0.7
188.04417	0.9
188.08368	0.8
189.05486	38.8
189.09091	11.9
189.12619	0.7
190.05975	0.6
195.08023	2.0
195.11644	0.7
198.06749	0.8
201.05476	2.0
201.09096	19.2
202.06267	1.1
203.07071	5.9
203.10666	7.5
203.14378	0.5
213.03778	0.9
213.05701	1.1
213.09091	18.3
213.12674	1.8
213.16490	1.1
231.06477	4.4
231.10161	100.0
231.13864	7.0
231.17197	2.3
232.10309	2.1
249.11174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
55.01873	26.3
55.05275	1.6
55.05514	18.1
59.77497	1.1
59.98513	1.0
60.91753	0.9
67.05488	3.4
69.03072	1.6
69.03432	18.9
69.03784	2.2
69.07045	2.8
69.34268	8.9
71.04980	2.9
77.03917	2.3
79.05493	10.8
81.03417	9.9
81.07056	7.4
83.01328	1.4
83.04988	7.6
85.02906	7.6
87.00818	2.2
89.03906	1.0
91.05486	17.6
91.06039	2.0
93.07053	5.6
95.04956	4.4
95.08607	4.8
97.02877	3.6
99.04450	4.0
102.04671	1.3
103.05476	9.4
105.03400	10.0
105.04553	1.2
105.07032	45.1
107.04949	5.8
107.08587	3.2
109.02885	5.1
109.06504	1.6
109.10134	2.1
111.04440	1.2
115.05447	10.9
116.06255	1.3
117.07040	8.9
118.04099	0.9
119.04909	4.6
119.08592	6.9
120.05657	1.2
121.02792	1.2
121.06502	4.5
121.10148	1.7
127.03944	4.7
128.06221	9.0
129.07019	13.8
131.04929	19.0
131.08554	8.3
132.05679	2.0
133.02852	5.9
133.06493	52.3
133.10139	5.3
135.04414	3.6
135.08060	1.6
141.06999	9.2
142.07765	13.1
143.04936	5.0
143.08565	15.5
144.05707	4.9
145.06496	14.1
145.10110	8.3
147.04428	15.6
147.08046	6.0
147.11665	3.1
148.05208	8.8
149.05980	4.2
151.03911	8.1
151.07550	1.8
152.06198	9.9
153.01843	17.4
153.07001	2.3
154.07678	1.1
155.04933	1.7
155.06078	2.1
155.08531	2.4
156.09264	1.9
157.06488	13.9
157.10132	18.0
158.07196	1.5
159.08046	6.4
159.11700	3.4
160.05283	2.0
161.05988	89.5
161.09598	5.8
161.13251	1.3
162.09140	3.3
165.06990	10.0
166.07785	2.5
167.07314	0.7
167.08566	18.4
169.06474	9.2
170.07266	20.9
170.10947	2.0
171.04391	1.8
171.08038	16.7
171.11650	6.0
173.06012	6.1
173.09618	3.0
173.13258	1.3
175.03911	41.9
175.07475	5.3
175.11154	8.0
177.05478	14.0
177.06895	2.1
181.06468	3.6
182.07236	2.6
183.08032	5.4
185.06067	2.9
185.09619	47.5
185.13206	13.5
187.07649	4.9
188.00993	2.3
189.05479	21.3
189.09120	13.2
189.12724	2.0
195.08057	80.4
196.08463	1.1
197.05977	2.9
198.06738	6.8
199.03833	1.2
200.08374	1.5
201.05443	1.4
203.03427	2.7
203.07091	2.8
203.10690	11.4
203.14293	3.1
213.05754	1.3
213.09105	29.0
213.12492	5.3
213.16296	1.8
231.03003	6.1
231.06650	14.5
231.10164	100.0
231.13585	17.0
231.17270	7.6
231.19176	1.5
231.21178	2.1
232.10304	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.7
51.02372	1.0
53.03947	4.5
55.01865	3.0
55.05510	11.8
57.03423	0.9
57.07069	1.0
62.69587	0.4
65.03935	1.0
67.05484	2.1
68.99776	2.1
69.03428	24.3
69.07056	1.5
69.38693	1.7
69.39116	1.9
70.06581	0.7
70.61465	0.4
71.01343	0.4
71.05000	2.8
72.08155	2.9
77.03522	0.7
77.03926	7.4
78.46349	0.4
79.05497	5.4
81.03419	11.7
81.07056	3.7
83.01344	4.2
85.02434	0.8
85.02907	10.0
85.06547	3.5
86.09699	0.6
87.00838	4.8
91.05476	14.8
92.05820	0.4
93.07056	4.0
95.04973	4.5
95.08579	1.5
97.02883	3.6
97.06522	1.0
97.50587	0.5
99.04454	7.1
103.05462	8.7
105.03384	8.3
105.04480	0.9
105.06320	0.5
105.07027	9.3
107.04949	4.6
107.08602	1.6
109.02870	4.4
109.06505	1.4
109.10135	0.7
115.05453	4.4
116.06248	0.8
117.06993	4.3
118.04144	0.5
119.04943	4.2
119.08582	3.6
121.02853	1.0
121.06493	4.9
121.10110	0.6
123.04391	0.8
123.07990	0.4
127.03900	6.5
128.06201	4.3
129.07004	5.8
130.07774	0.5
131.04922	15.5
131.08566	6.2
132.05684	1.6
133.02849	39.1
133.06490	7.3
133.10097	2.3
135.04430	7.4
135.11707	0.4
141.07004	2.9
142.07782	8.2
143.04904	1.3
143.08560	5.0
144.05727	4.0
144.09258	0.5
145.04900	0.6
145.05318	0.6
145.06487	7.4
145.10112	5.2
147.04405	17.2
147.08057	3.8
147.11694	1.2
148.04950	0.6
149.02361	0.6
149.05983	1.6
149.09612	0.5
151.03896	29.5
152.06213	2.0
153.01791	2.4
153.06996	1.3
155.06036	1.1
155.08549	2.0
156.09360	1.1
157.06490	5.6
157.10136	5.6
158.07297	3.9
159.04440	1.3
159.08022	4.5
159.11668	2.2
160.05179	1.5
161.02362	0.8
161.04829	0.9
161.05992	9.4
161.09608	2.3
162.09076	2.3
163.03958	0.8
165.07002	1.4
167.08607	2.2
169.06476	1.6
170.07217	3.3
170.10849	0.8
171.04376	1.8
171.08035	6.0
171.11642	1.8
172.08833	0.9
173.06006	1.3
173.09581	2.5
173.13322	0.7
174.06793	1.0
175.03906	40.9
175.07503	3.2
175.11201	3.2
175.22940	0.5
176.04654	3.3
177.05475	36.9
178.05829	0.5
183.08035	2.4
185.05917	2.3
185.09607	4.6
185.13208	4.7
186.03195	0.5
187.07539	2.0
187.11180	1.8
187.14885	0.7
188.04417	0.9
188.08368	0.8
189.05486	38.8
189.09091	11.9
189.12619	0.7
190.05975	0.6
195.08023	2.0
195.11644	0.7
198.06749	0.8
201.05476	2.0
201.09096	19.2
202.06267	1.1
203.07071	5.9
203.10666	7.5
203.14378	0.5
213.03778	0.9
213.05701	1.1
213.09091	18.3
213.12674	1.8
213.16490	1.1
231.06477	4.4
231.10161	100.0
231.13864	7.0
231.17197	2.3
232.10309	2.1
249.11174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	13.9
55.01865	2.0
55.05516	6.0
57.03438	5.0
57.37642	0.6
61.02924	1.7
68.99799	2.9
69.03431	100.0
70.06606	1.6
70.70837	1.2
70.71173	1.4
71.01366	0.6
71.04994	12.8
72.08159	55.9
73.02925	0.8
79.05499	1.4
81.03419	44.2
81.07077	1.9
83.01340	0.9
84.08157	1.5
85.02908	44.5
86.09688	3.4
87.00829	19.2
91.05497	1.9
93.07045	1.0
97.02895	27.5
99.04456	31.4
105.01864	3.6
105.03426	0.7
105.07033	1.8
109.02882	18.2
111.00848	1.4
114.81205	0.6
115.05470	0.9
117.06996	1.4
119.08632	0.9
120.08125	0.9
121.10174	0.8
127.03919	28.9
127.26981	0.6
129.07027	1.9
131.08586	1.6
131.99570	0.7
132.10225	2.1
143.08575	3.3
145.04997	3.0
145.10179	1.9
147.08070	0.8
151.07640	0.6
151.30794	0.6
157.10197	2.4
159.11734	1.8
162.09192	0.6
170.88165	0.9
171.04410	0.9
171.08118	0.7
175.03938	1.0
175.07579	0.9
175.14873	0.7
183.48776	0.7
185.13280	3.9
189.09111	1.2
189.12708	0.7
203.10773	0.9
213.03920	6.0
213.12794	1.5
231.04932	6.3
231.11623	1.2
231.13904	6.1
231.17148	2.1
231.21225	0.9
232.06548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88136	0.8
53.03946	12.1
55.01862	2.9
55.05492	2.7
56.05032	0.8
57.03436	4.6
61.02915	1.4
63.82658	1.0
68.99781	3.6
69.03428	100.0
69.07066	1.2
70.06578	3.4
70.87794	2.0
70.88132	1.2
70.96531	0.8
71.04996	8.0
72.08160	9.1
79.05487	1.0
81.03415	39.8
81.07058	2.4
82.91058	1.0
83.01333	1.2
83.04982	1.0
84.08118	1.2
85.02902	43.3
86.09688	3.2
87.00316	1.4
87.00825	19.6
91.05479	2.8
93.07040	2.2
97.02291	1.8
97.02889	20.0
98.97591	1.7
99.04455	21.6
105.01849	3.9
105.03373	11.2
105.07017	3.6
109.02878	19.0
115.05421	1.4
117.06982	1.6
119.08596	2.0
120.08093	1.4
127.03910	28.0
128.06242	1.3
129.06969	2.5
131.08556	2.1
133.02789	2.1
133.06465	1.7
133.10104	1.2
135.04366	1.2
142.07805	1.5
143.08543	3.6
145.04945	4.1
145.10121	2.5
147.08037	1.7
151.03905	1.8
157.06506	1.2
157.10132	2.4
159.08023	1.1
159.11642	1.9
162.09103	8.4
171.04410	1.3
171.08026	2.6
171.11789	1.2
173.09636	1.6
175.03879	2.6
175.07556	1.8
185.13289	5.1
187.52617	1.1
189.09094	4.0
189.12843	1.4
203.06969	1.1
213.03867	2.9
213.09149	1.5
231.04947	3.7
231.06801	1.7
231.10083	9.5
231.13443	5.6
231.17264	1.0
231.84819	0.9
232.05910	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	16.1
55.01867	1.9
55.05521	1.3
57.03438	3.9
57.03669	0.7
61.02924	2.2
61.73642	0.6
68.99789	2.3
69.03428	100.0
69.77700	1.6
69.78102	3.2
70.06593	1.4
71.04996	11.3
72.08154	3.2
79.05538	0.8
81.03419	44.6
81.07061	1.1
83.01342	1.3
84.08120	1.4
85.02903	48.2
86.09690	3.3
87.00830	20.6
87.01363	1.3
91.05486	2.1
93.07048	2.2
95.08619	0.8
97.02889	28.9
98.21496	1.1
99.04452	31.9
105.01826	4.3
105.03411	0.7
105.07035	2.0
109.02878	22.0
109.03603	1.3
116.07080	0.8
117.06973	1.2
120.08119	1.3
127.02975	1.5
127.03915	29.1
128.06233	1.4
129.07004	1.6
129.10329	1.0
131.08594	1.8
133.10165	1.1
143.08585	2.6
145.05005	2.9
145.10146	2.5
146.68423	0.7
151.07573	0.9
157.06500	0.8
157.10130	2.3
159.11749	1.3
161.09544	0.9
170.11047	1.0
171.11729	1.0
173.09543	1.0
175.03998	2.4
175.07608	0.8
185.10829	0.9
185.13188	4.1
187.07471	0.9
189.09134	1.3
202.96049	0.8
203.07018	0.9
203.14304	0.8
213.03874	4.2
213.12682	0.9
231.04739	5.3
231.11285	4.5
231.13910	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	231.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.00292	0.4
53.03938	0.6
55.01858	0.7
55.05499	0.3
63.02360	0.6
63.43876	0.2
65.03934	2.3
67.01871	0.3
67.05489	0.3
68.41811	0.2
68.99771	0.4
69.03155	0.2
69.03431	1.9
69.07059	0.5
69.34566	1.2
69.34986	0.6
71.05001	0.3
75.02367	0.3
76.03127	1.1
77.03906	0.4
79.05453	0.7
81.03413	1.4
81.07047	0.8
85.02898	0.7
87.00838	0.4
89.03914	11.0
91.05479	16.4
93.07031	0.8
95.01313	0.8
95.04947	0.3
95.08595	0.6
97.02892	0.4
99.04440	0.6
103.01835	0.8
103.05437	0.4
104.02602	0.9
105.03398	1.4
105.07016	0.7
107.04887	0.3
109.02876	4.4
109.10138	0.3
114.97446	0.2
115.05431	0.4
117.03373	3.0
117.07035	0.4
118.67249	0.2
119.04935	7.4
119.08568	0.6
121.02806	0.5
121.06518	0.3
127.03905	0.6
128.06189	0.6
129.03352	0.3
129.06984	0.7
131.04918	0.4
131.08537	0.6
132.02060	3.5
133.02858	1.3
133.06497	0.4
133.10156	0.4
135.00731	0.2
135.04376	0.5
142.07773	0.7
143.01280	3.9
143.04918	0.3
143.08562	1.2
145.02840	10.2
145.03987	0.6
145.06535	0.4
145.10098	0.7
146.03128	0.3
147.00766	0.8
147.04405	6.6
147.08037	0.8
149.02274	0.4
151.03893	1.4
155.08438	0.2
157.02847	0.3
157.06447	0.4
157.10091	0.9
159.08052	0.3
159.11688	0.4
160.01550	16.3
161.02234	0.3
161.09569	0.3
162.09145	0.5
164.01025	0.8
165.01785	0.9
167.03398	0.4
171.04445	0.2
171.08089	0.5
171.11658	0.4
173.02330	0.4
173.09610	0.3
175.03900	76.9
176.04250	1.7
177.05382	0.4
185.09671	1.1
185.13232	0.9
188.01039	32.8
189.01445	0.7
189.05450	0.8
189.09088	1.2
195.07962	0.4
198.06743	0.4
203.03387	43.4
204.00488	0.2
204.03702	0.9
213.09171	1.7
213.12782	0.4
216.00456	1.5
231.02875	100.0
231.10135	3.9
231.13594	1.4
231.17351	0.7
231.21098	0.3
232.03221	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.5
53.03938	1.1
55.01869	0.7
55.05513	4.8
58.12475	0.3
63.02374	0.6
65.03939	2.8
67.05498	1.0
68.99773	0.4
69.03432	2.6
69.51958	0.7
69.52365	1.5
76.03164	0.8
77.03931	0.4
79.05491	1.2
80.69614	0.3
81.03399	1.2
81.07050	0.9
82.88130	0.2
83.01354	1.5
85.02885	1.0
87.00840	0.5
87.02376	0.4
89.03920	12.0
91.05484	19.1
93.07034	0.8
95.01340	0.7
95.04960	1.3
95.08568	0.5
97.02884	0.5
98.20649	0.3
99.04429	0.7
101.39141	0.3
103.01839	0.7
103.05470	2.4
104.02591	0.8
105.03391	1.2
105.07044	2.2
107.04955	0.9
107.08571	0.4
109.02882	3.9
109.06506	0.4
109.10156	0.4
115.05437	0.7
117.03383	2.5
117.07017	0.8
119.04945	8.0
119.08559	1.4
121.02802	0.5
121.06519	1.4
121.10184	0.7
123.00881	0.3
127.03925	0.8
128.06232	0.6
129.06999	1.2
131.04918	4.3
131.08557	0.7
132.02075	3.2
133.02820	0.9
133.06480	1.8
133.10107	0.5
135.04437	0.5
142.07777	0.8
143.01268	3.4
143.08557	1.1
145.01772	0.6
145.02856	8.9
145.03981	0.5
145.06450	0.6
145.10110	0.9
147.00755	0.8
147.03232	0.6
147.04405	11.0
147.08047	0.4
147.11664	0.5
148.01604	0.4
149.06003	0.4
150.03114	0.4
151.03893	1.0
151.07642	0.4
157.02881	0.4
157.06454	0.6
157.10117	1.1
159.11684	0.5
160.01555	16.3
161.02335	0.4
161.06012	3.3
161.09554	0.4
162.09109	0.4
164.01027	0.7
165.01846	1.0
173.02257	0.9
173.13292	0.3
174.06624	0.3
175.03909	86.9
175.11143	1.1
176.04301	1.5
177.05482	13.0
185.09683	0.5
185.13240	1.3
188.01045	29.9
188.08449	0.3
189.01573	0.4
189.05504	11.8
189.09045	1.1
189.12842	0.4
203.03397	41.3
203.07069	2.3
203.10718	1.8
204.03755	0.8
210.01479	0.3
213.05450	0.7
213.09116	0.8
213.12717	0.8
213.16396	0.5
216.00519	1.2
231.02887	100.0
231.10179	20.6
231.13486	1.8
231.17412	1.3
231.19362	0.6
232.03181	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.3
53.03941	0.4
55.05505	2.3
57.07056	0.3
63.02364	0.6
65.03944	2.5
68.99789	0.4
71.53251	0.4
76.03152	0.8
78.12762	0.3
79.05479	1.1
81.03416	0.4
81.07043	0.8
82.70218	0.3
83.01338	0.7
89.03917	9.9
91.05482	15.4
93.07041	0.7
95.01311	0.8
95.04945	0.4
95.08595	0.5
103.01838	0.5
103.05466	1.1
104.02615	0.6
105.03362	0.8
105.07053	1.6
107.04935	0.6
108.19116	0.3
109.02887	3.2
115.05452	0.6
117.03371	2.1
117.06948	0.5
119.04946	7.1
119.08598	1.0
121.02846	0.6
121.06486	0.5
128.06195	0.4
129.06989	0.8
131.04918	2.7
131.08571	0.3
132.02061	3.3
133.02846	0.6
133.06496	0.9
133.10124	0.6
135.04433	0.4
142.07776	0.6
143.01259	3.2
143.08578	1.0
145.02844	8.4
145.06552	0.3
145.10136	1.1
147.00786	0.6
147.04410	8.3
147.08046	0.5
147.11649	0.4
148.01492	0.3
157.06477	0.3
157.10115	1.0
159.04494	0.4
159.08116	0.3
160.01559	15.6
161.02280	0.3
161.06021	1.2
161.09595	0.4
162.09088	0.5
164.01018	0.7
165.01816	1.1
170.10815	0.3
171.11694	0.6
173.02388	0.4
175.03905	81.4
176.04225	1.3
177.04073	0.5
177.05472	5.9
185.13277	1.2
187.03870	1.1
187.14890	0.3
188.01045	27.5
189.01518	0.6
189.05518	5.9
189.09064	0.4
203.03395	40.2
203.07094	1.5
203.10689	0.7
204.03754	0.9
213.05531	0.8
213.12759	0.5
216.00565	1.4
230.24802	0.8
231.02882	100.0
231.10190	10.6
231.13472	1.9
231.17508	0.9
231.21109	0.7
232.03262	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	231.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86460	0.4
63.02394	0.7
65.03935	2.2
70.39392	0.5
71.07421	1.2
76.03168	1.4
89.03410	0.9
89.03922	12.2
91.05480	15.4
95.01324	1.0
95.04971	0.5
104.02596	0.6
109.02888	4.7
117.03357	3.4
117.72533	0.6
119.04957	8.4
132.02043	3.5
143.01291	3.7
145.01779	0.7
145.02859	9.6
145.03987	0.6
147.00786	0.8
147.04427	7.3
160.01552	17.8
164.01042	0.7
165.01871	1.0
175.03915	81.1
176.04254	1.0
188.01053	33.5
203.03403	44.9
204.03711	0.6
216.00531	1.3
231.02892	100.0
232.03281	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	230.1904
Annotation	ROLICYCLIDINE
Peak:m/z	Relative Intensity
51.92426	0.1
52.45750	0.2
53.03942	0.2
55.05490	0.5
58.02864	0.2
67.05486	0.4
68.05830	0.3
69.03434	0.8
69.07056	0.2
70.06601	0.3
79.05486	0.3
81.03415	0.5
81.07040	0.4
83.01322	0.2
85.02921	0.3
86.06077	0.2
91.05482	0.8
97.02866	0.2
98.06017	0.3
103.05470	0.2
105.03434	0.2
105.07000	0.4
115.05474	0.3
117.07070	0.2
118.07442	0.2
119.08548	0.2
121.06509	0.2
127.67965	0.2
128.06186	0.2
130.06522	1.1
131.04913	0.6
131.07312	0.4
131.08528	0.2
132.05309	0.9
132.08012	0.2
133.02873	0.4
133.06499	0.2
142.07765	0.2
143.08574	0.3
144.08061	0.2
145.06509	0.3
145.08911	0.2
145.10112	0.2
147.04390	0.7
147.08058	0.2
148.04721	0.3
148.11226	0.3
151.03917	0.3
158.09650	1.3
158.68097	0.2
159.04405	0.4
159.11697	0.2
160.04787	0.8
164.04202	0.2
165.06982	0.2
172.04732	0.2
172.11230	1.4
173.12024	3.2
174.06364	0.2
174.12802	0.2
175.03940	2.0
175.11214	0.2
176.04247	1.3
177.05487	0.9
185.05890	0.2
185.13297	0.4
186.12727	1.1
187.03928	0.7
187.13562	9.7
188.04251	2.3
188.07872	0.6
188.14323	1.0
189.05476	1.1
189.09129	0.3
198.09058	0.2
200.14331	1.6
201.15065	0.4
202.05736	0.4
202.09340	0.3
202.15892	0.2
205.10854	0.2
213.05574	0.2
214.15923	10.0
215.06668	0.4
215.16689	2.2
219.12642	0.2
230.08957	4.2
230.19041	100.0
231.02928	0.4
231.06511	0.5
231.10172	1.9
231.13771	0.4
231.17345	0.3
231.19365	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	230.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.0
57.07077	1.3
59.04969	0.9
65.03923	1.5
67.05508	10.8
68.05822	1.8
69.03423	6.0
69.07058	1.0
70.06588	2.1
70.63058	0.9
71.04976	3.0
71.40252	1.1
71.52549	1.6
72.08122	1.2
79.05511	2.0
81.03413	3.2
81.07043	2.3
83.04974	1.6
83.33396	0.9
84.08144	1.4
85.02889	3.2
85.06548	7.9
86.06065	2.5
91.05472	2.6
93.07047	1.6
97.02892	1.6
98.06055	1.3
99.04472	1.4
103.05438	2.2
105.03380	1.2
105.07005	2.5
107.04935	1.1
109.02903	1.5
109.10146	1.3
110.06008	1.2
110.10478	2.9
111.27462	0.8
115.05463	2.0
117.05740	1.4
117.07022	1.8
118.06548	5.6
119.08600	2.0
121.10152	1.0
127.03932	1.8
129.07011	1.8
130.06529	82.8
131.04906	2.2
131.06949	0.9
131.08560	1.7
132.05313	0.9
132.08086	4.9
132.08922	1.0
141.06934	0.9
143.08510	2.0
144.08041	1.4
145.10106	1.2
146.06004	3.6
147.04440	1.3
148.11983	0.9
154.06528	4.0
155.07277	5.2
156.08078	1.6
156.09242	1.1
157.10104	3.4
158.06017	94.2
159.04471	1.2
159.06696	3.5
159.07935	0.9
160.04793	1.2
160.07529	6.6
160.11134	1.4
161.06000	1.8
161.09569	1.1
166.07321	1.0
168.08047	4.5
169.08887	13.5
171.08040	1.7
173.12001	2.3
174.05460	1.7
174.18526	3.8
175.03906	4.0
176.04257	2.5
176.07021	1.4
182.09535	1.6
184.11211	16.7
185.13271	1.8
186.09088	2.8
187.03848	1.2
187.13509	5.8
188.04204	3.0
189.09096	2.1
194.08150	1.2
197.08423	2.3
198.09009	1.1
200.14377	1.7
202.05698	1.2
202.09372	1.0
202.12263	11.5
202.21478	1.0
212.10707	10.9
214.15926	5.9
215.16637	1.5
215.54271	1.1
230.08969	11.5
230.11766	100.0
230.19041	69.2
230.24747	5.8
231.02997	1.1
231.06529	2.4
231.10175	3.9
231.12030	1.4
231.13919	2.1
246.31725	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14135	0.3
56.96564	34.4
58.06601	0.4
61.25895	0.3
63.77893	0.3
69.07066	0.5
70.06587	2.9
70.25786	0.7
70.26154	0.6
71.06918	0.4
71.95259	2.9
72.08148	0.8
72.96045	1.2
74.97609	0.6
78.79716	0.3
83.97619	1.5
84.08146	3.5
84.67680	0.3
84.96030	1.7
85.02913	0.4
86.09705	4.8
97.99186	0.6
98.97582	100.0
99.97890	0.6
100.07623	0.6
110.97565	0.7
112.99142	0.4
114.06657	0.8
116.00202	1.4
116.98619	73.4
117.98942	0.5
118.99073	0.4
119.01934	0.6
120.01997	0.4
124.00654	0.5
126.02261	0.8
128.07047	0.4
128.49332	0.3
128.98576	0.6
129.10240	0.5
131.00195	0.4
134.01270	2.3
134.72408	0.3
134.99654	33.6
140.00183	2.3
140.03845	1.3
140.10695	3.4
142.01799	0.4
142.05386	1.7
142.08626	0.4
142.12172	0.4
143.08968	0.5
144.03300	0.7
146.99611	0.5
147.03336	0.4
149.01222	0.5
152.02272	0.4
153.00713	4.7
153.01964	0.5
154.32729	0.3
158.01311	1.9
158.04906	3.1
160.06451	4.6
161.04749	0.3
170.04880	1.2
171.03218	0.8
174.91240	0.4
176.02354	0.3
176.05913	1.1
178.07529	1.1
186.11285	2.3
188.05957	3.1
189.00626	0.4
189.02632	0.3
189.04337	7.7
202.07553	0.9
206.06993	6.6
207.01570	0.4
207.05392	5.4
212.05907	0.7
224.08052	9.0
230.06975	9.9
230.11366	0.7
230.13684	0.5
230.15819	2.9
231.05365	1.6
247.09680	0.4
248.08061	21.3
248.99239	0.7
249.06371	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
50.11718	0.3
52.05681	0.3
55.01843	0.4
56.96563	10.6
57.03436	0.4
58.06601	5.7
59.07378	1.4
60.07887	0.5
60.08165	5.9
60.88924	0.3
68.05024	1.0
69.03413	0.8
70.06590	31.4
70.53957	0.6
70.54326	0.6
71.95267	0.4
72.08151	1.4
72.96038	0.6
75.83860	0.4
79.05482	0.5
83.97637	0.4
84.04502	0.5
84.08138	2.2
84.96007	0.4
85.08455	0.7
86.09695	1.3
91.96098	0.3
95.06094	0.7
96.06434	0.6
96.08139	1.0
98.06030	0.5
98.97584	17.2
100.07639	0.3
102.59805	0.3
110.97519	0.4
112.08721	0.5
114.05518	4.0
114.06671	0.3
114.09151	1.8
114.43847	0.3
116.00247	0.4
116.07080	1.4
116.98614	12.9
119.01914	0.9
124.07574	3.1
126.02258	0.4
126.09136	0.3
129.10251	0.4
134.01257	0.5
134.99648	5.5
140.00188	0.4
142.08629	26.0
144.03348	0.4
150.00630	0.3
153.00714	0.9
158.01265	0.4
158.04898	0.9
160.06419	1.7
161.01183	0.4
170.04872	0.5
170.08125	1.0
178.07413	0.4
180.99730	0.3
183.11334	0.4
183.14928	2.5
187.04555	1.0
188.05916	1.5
189.04327	2.3
205.05644	0.3
206.06995	3.4
207.05473	1.7
212.05833	0.3
224.08052	4.3
229.15465	100.0
230.06929	2.0
230.15817	1.6
248.08083	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50197	0.2
52.58493	0.2
55.01875	0.7
55.05508	0.4
55.68000	0.2
56.96564	3.0
57.03432	0.6
58.06313	0.3
58.06599	6.2
59.07378	1.4
60.08165	7.0
61.02936	0.3
68.05023	1.0
68.95316	0.2
69.03422	0.7
70.06592	36.7
70.99837	0.3
71.08013	0.3
72.08145	1.9
73.02908	0.7
81.03408	0.3
81.04544	0.5
82.06570	0.3
84.04495	1.1
84.08144	3.1
84.96031	0.4
85.02898	0.9
85.08484	2.2
86.09712	0.9
89.29091	0.2
95.06086	0.8
95.99572	0.2
96.08123	1.2
97.02891	0.7
98.06067	0.5
98.97587	3.2
99.04446	0.3
100.07607	0.9
101.00878	1.5
105.54070	0.2
108.57560	0.2
110.97537	0.3
114.05536	3.7
114.06657	0.6
114.09163	1.9
116.07088	1.2
116.98621	2.3
118.08642	0.4
119.01915	4.0
121.02921	0.3
124.07592	3.7
126.09158	0.6
127.05114	0.2
128.02306	0.5
128.98602	0.5
131.01903	0.5
133.01671	0.4
133.03424	0.5
134.99677	0.6
137.02974	0.8
139.01515	0.4
140.10718	0.7
142.08635	28.9
143.09018	0.4
144.10252	0.2
144.99796	0.5
145.03468	0.5
146.99612	0.3
147.68149	0.2
148.03885	0.8
149.03027	0.2
157.04427	0.4
158.99670	0.3
159.04907	0.2
161.01256	0.3
168.99835	0.3
170.08131	1.3
175.02893	0.4
177.00705	0.4
183.11302	1.0
183.14922	1.3
185.06621	0.2
187.00880	1.0
187.04533	2.2
198.06090	0.3
205.01901	0.4
205.05658	0.3
208.04805	0.3
215.00398	0.6
220.06042	0.3
229.15472	100.0
230.15796	1.8
237.02834	0.4
247.06776	0.4
247.10423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
55.01866	2.9
55.05505	5.6
57.03436	3.7
57.03669	0.8
57.07064	1.1
59.05010	1.2
61.62189	0.9
65.03958	1.4
67.05508	25.7
69.03417	1.8
69.07066	5.7
69.14355	0.8
70.06591	4.1
71.04977	1.8
71.52570	0.7
72.08157	1.1
77.03938	0.9
79.05488	5.3
81.03426	1.6
81.07056	20.8
83.04967	2.7
83.08601	2.5
84.08153	1.8
84.35678	0.8
85.06538	1.3
86.09725	0.9
87.04462	0.9
91.05482	14.2
93.07045	4.3
95.04949	2.8
95.08613	5.8
97.06511	2.9
99.08078	0.9
103.05450	1.4
105.07028	12.1
107.04946	1.8
107.08589	4.9
109.06522	3.1
109.10153	15.5
110.72369	0.8
111.08022	1.0
113.05999	1.3
115.05470	3.5
117.07030	4.2
119.04934	2.0
119.08594	11.0
121.02885	1.5
121.06507	1.0
121.10131	7.7
123.11730	5.9
125.06024	0.8
127.37402	0.8
128.06224	4.2
129.06996	5.9
130.07802	0.9
131.04935	24.5
131.08575	5.3
133.02850	2.7
133.06476	0.7
133.10118	3.4
135.11700	0.9
137.09607	1.6
141.07001	2.4
142.07761	1.9
143.04939	1.7
143.08560	2.8
144.05653	1.1
145.06462	5.1
145.10139	5.2
147.04417	6.6
147.08099	1.0
147.11690	27.5
148.12045	0.9
149.02333	1.8
152.06161	1.2
153.07027	1.7
155.08601	6.1
157.06517	1.5
157.10153	7.5
158.07306	2.6
158.09596	0.9
159.04416	25.3
159.08038	3.2
159.11682	3.4
163.03984	1.0
165.07011	1.3
165.12743	10.3
167.03378	4.2
167.07068	0.7
167.08589	1.5
168.05849	0.9
169.06512	2.6
169.10095	1.2
171.04347	1.4
172.05144	1.1
173.05978	7.7
173.09624	4.7
173.11757	4.4
173.13309	3.5
175.03928	31.6
175.11215	6.4
176.04271	1.0
183.08072	3.0
183.11711	2.3
185.06007	1.3
185.09636	3.1
185.13271	0.9
186.06752	1.8
187.03908	39.5
187.07545	13.0
187.11163	1.4
187.13536	3.1
189.05476	1.7
193.12259	2.6
193.14026	0.9
201.05511	9.6
201.09097	4.5
201.12697	0.8
211.07481	3.9
211.11310	1.8
211.13075	1.2
211.14862	2.2
213.05510	4.3
213.14661	3.2
214.06181	6.4
214.15811	3.8
229.04935	4.8
229.08611	100.0
229.12257	6.1
229.14124	26.1
229.16292	1.2
229.17636	12.2
229.19592	2.8
230.08855	5.2
230.11887	1.3
230.19041	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45644	0.7
51.96178	0.6
53.03971	0.8
55.05513	8.8
57.03154	0.9
57.03438	18.0
57.07072	1.3
59.05001	5.0
65.03942	1.9
67.05505	100.0
68.05827	0.9
69.07058	2.1
69.60020	4.4
70.06592	2.8
71.04994	5.0
79.05493	3.3
81.07052	13.2
83.08615	6.5
85.06550	2.2
91.05474	9.4
93.07047	4.0
95.04962	1.1
95.08602	5.6
103.05449	0.7
105.07018	1.6
107.08598	2.3
109.10157	86.6
110.10437	1.6
111.08073	3.7
115.05473	1.9
117.07011	1.7
119.04975	1.6
119.08584	6.9
128.06201	1.3
129.06969	1.6
131.04927	12.8
131.08617	1.4
134.35970	0.7
137.09578	4.3
142.08630	1.9
143.04926	0.7
143.08536	0.9
145.06514	2.2
145.10165	1.8
147.04404	4.9
147.11678	0.7
149.67621	0.7
155.08569	2.7
155.10622	4.1
159.04424	14.0
159.11665	1.0
169.06375	1.0
171.11656	0.7
173.06044	3.7
173.09532	1.5
173.11746	26.1
175.03914	26.5
176.04291	1.1
183.07939	0.8
185.09604	1.3
185.13220	1.1
186.06827	1.0
187.03909	18.9
187.05600	1.4
187.07475	5.5
187.14893	0.8
188.04218	0.7
189.05484	1.7
201.05476	5.8
201.09122	1.9
211.07445	1.4
213.05418	1.8
214.06282	4.9
229.08604	61.9
229.14143	23.5
229.19536	2.9
230.08952	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	229.0858
Annotation	Seselin
Peak:m/z	Relative Intensity
51.02388	0.4
53.03938	0.4
54.05115	0.3
55.05510	0.4
65.03956	0.9
65.36497	0.3
67.05493	1.5
69.77254	1.6
79.05459	0.4
87.34011	0.3
91.05482	5.4
95.04933	0.4
95.32472	0.3
102.04765	0.4
103.05462	1.7
105.07048	0.8
107.04967	0.6
111.18567	0.3
115.05457	3.7
117.07019	3.0
119.04933	2.1
121.02949	0.4
128.06190	2.3
129.07002	1.3
131.04927	42.8
132.05263	0.4
133.06483	0.6
141.06969	0.7
142.07755	1.4
143.04953	2.3
144.05655	0.4
145.06483	3.7
145.10150	1.1
147.04417	9.0
152.06181	0.4
153.06958	1.0
154.07741	0.4
155.04919	0.4
155.06119	0.4
155.08563	3.1
157.06474	0.6
158.07301	0.7
159.04419	34.0
160.04836	0.7
163.03931	1.0
165.06990	0.8
168.05788	0.6
169.06476	1.1
170.07222	0.7
171.04488	0.9
172.05183	0.7
173.05984	7.0
173.09657	2.2
175.03908	39.9
176.04256	0.8
177.05469	0.5
177.96886	0.3
183.08035	1.6
185.05945	0.7
185.09541	2.1
186.06755	1.4
187.03908	72.2
187.07486	7.8
188.04233	1.5
189.05492	3.0
199.03809	0.5
200.04616	0.7
200.07013	0.4
201.05476	8.6
201.09093	3.1
211.07489	2.0
213.05461	5.0
214.06253	8.7
216.06274	0.4
218.07201	0.3
229.08595	100.0
230.08952	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	229.0858
Annotation	Seselin
Peak:m/z	Relative Intensity
50.59351	0.3
51.02397	0.4
53.03954	0.4
53.37162	0.4
55.05511	0.5
59.63909	0.3
65.03949	0.9
67.05502	1.9
68.27304	0.4
69.78097	1.9
79.05491	0.5
79.84760	0.3
91.05476	5.6
103.05457	1.8
105.07045	0.8
115.05454	4.4
116.70578	0.4
117.07031	3.2
119.04948	2.8
128.06233	2.9
129.06969	1.7
130.07809	0.6
131.04929	40.7
132.05283	0.7
133.06485	0.8
141.06993	0.8
142.07771	0.9
143.04915	2.6
144.05684	0.5
145.06474	4.6
145.10114	0.6
147.04413	10.1
152.06216	0.7
153.07005	0.8
155.06027	0.7
155.08569	3.7
157.06548	0.6
158.07265	1.4
159.04417	37.9
160.04802	1.0
163.03893	1.5
165.06996	1.3
167.08632	0.4
168.05681	0.9
169.06502	1.3
170.07262	0.9
171.04359	0.5
172.05202	0.7
173.05978	7.9
173.09628	2.3
175.03908	42.8
176.04214	0.8
177.05371	0.4
183.08073	1.7
185.05988	0.7
185.09630	1.4
186.06763	1.6
187.03908	80.0
187.07492	11.6
188.04251	2.1
189.05490	3.4
196.05313	0.4
199.03854	0.4
200.04691	0.9
201.05479	11.1
201.09059	4.2
211.07561	1.9
213.05461	4.2
214.06258	7.0
216.46597	0.4
229.08594	100.0
229.86273	0.4
230.08920	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	229.0858
Annotation	Seselin
Peak:m/z	Relative Intensity
51.02378	0.3
55.01854	0.2
55.05503	0.7
57.03439	0.3
65.03934	0.9
67.05502	2.5
69.03429	0.3
69.19534	0.2
77.03925	0.5
78.65161	0.2
79.05489	0.4
81.03423	0.3
82.13666	0.2
91.05476	5.5
93.03397	0.3
95.04950	0.4
103.05452	1.3
105.07021	0.8
107.04932	0.5
109.10172	0.5
110.74864	0.2
115.05449	4.8
116.06273	0.2
117.07017	3.0
119.04946	2.3
121.02831	0.4
128.06229	2.4
129.07008	2.1
130.07739	0.5
131.04922	38.2
132.05243	0.5
133.02840	0.5
133.06474	0.6
140.06401	0.2
141.06999	1.2
142.07777	1.5
143.04919	2.6
143.08556	0.3
144.05676	0.5
145.06488	3.5
145.10138	1.5
147.04407	9.3
152.06239	0.6
153.06990	1.1
155.04926	0.4
155.06012	0.6
155.08557	3.9
157.06453	0.5
157.10141	0.3
158.07274	1.6
159.04410	38.2
159.08017	0.7
160.04733	0.8
163.03870	1.1
165.06999	1.1
167.08531	0.6
168.05638	0.7
169.06520	1.1
170.07251	0.7
171.04337	1.1
172.05142	0.9
173.05980	8.0
173.09596	2.1
173.11758	0.2
173.13161	0.3
173.55386	0.2
174.06339	0.3
175.03902	44.4
176.04312	1.1
177.05463	0.7
183.08067	1.6
185.05978	0.5
185.09625	1.4
185.10997	0.2
186.06781	1.6
187.03900	81.0
187.07471	11.8
188.04224	2.2
188.07892	0.4
189.05453	3.2
199.03983	0.4
200.04684	0.8
201.05467	9.9
201.09065	4.2
211.07581	2.4
213.05461	3.5
213.14644	0.7
214.06245	7.3
215.06480	0.2
229.08586	100.0
229.17593	2.0
230.08936	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	229.0857
Annotation	2,4,7-Trihydroxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
51.63056	0.3
53.03943	0.5
55.01862	0.6
55.05501	1.1
57.03418	0.5
63.79855	0.2
65.03940	1.0
67.05503	4.6
69.03434	0.8
70.06603	1.4
71.53912	0.4
76.81635	0.3
77.03909	1.4
79.05488	1.0
81.03403	0.3
81.07055	0.8
83.04971	0.4
91.05479	8.6
93.07059	0.7
95.04975	0.8
95.08611	0.5
103.05472	1.0
105.03407	0.6
105.07033	1.8
107.04956	0.7
107.08612	0.6
109.02869	0.3
109.10138	2.2
115.05461	3.1
116.06269	2.2
117.07030	1.9
119.04982	0.5
119.08572	1.0
120.91576	0.3
121.02860	0.5
121.10108	0.4
123.11701	0.3
125.09609	0.4
127.07826	0.3
128.06215	1.6
129.06996	3.2
130.07762	1.0
131.04930	9.0
131.08568	10.9
133.02849	6.4
133.06491	0.7
133.10139	0.6
135.04370	0.7
137.09575	0.3
139.16125	0.3
141.07004	4.0
142.07764	0.8
143.08549	1.0
144.05704	2.2
145.06488	4.0
145.10123	1.7
147.04382	1.9
149.02342	0.8
150.03114	0.6
153.06992	1.8
154.07834	0.5
155.08568	4.3
157.06483	0.9
157.10088	0.3
158.07272	2.0
159.04422	15.1
159.08055	18.0
159.11633	0.4
160.04921	0.5
160.08351	0.3
161.02399	0.4
162.03088	0.3
163.03894	4.6
165.07013	1.4
167.08522	0.4
168.05725	1.4
169.06482	5.3
169.07822	0.5
169.10068	0.4
171.04402	2.0
171.08025	0.3
172.05174	1.1
172.08864	0.4
173.06012	3.5
173.09616	2.8
173.11765	0.5
174.03123	1.7
175.03937	1.1
183.06511	0.5
183.08031	3.4
185.05933	1.8
186.06781	1.7
187.04019	7.4
187.07536	100.0
188.07864	2.0
196.05257	0.3
197.06081	0.3
199.07613	0.3
200.04686	0.4
201.05431	1.4
201.09106	7.3
201.12817	0.3
211.07521	2.1
213.05431	0.9
214.06213	1.9
229.08591	48.4
229.16069	1.4
229.19479	0.5
230.08960	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0859
Annotation	3,7-Dihydroxy-1,9-dimethyldibenzofuran
Peak:m/z	Relative Intensity
53.03948	0.8
54.14939	0.4
55.01862	1.3
55.05513	3.1
56.05022	0.6
57.03434	2.6
57.07077	0.7
57.34159	0.4
59.53271	0.4
61.02921	0.4
65.03941	0.7
67.05181	0.7
67.05509	11.3
68.99790	4.2
69.03417	1.3
69.07049	1.0
70.06596	2.8
70.88210	0.5
71.01350	0.4
71.05003	0.7
72.08155	0.5
77.03930	1.2
79.05485	2.5
81.03408	0.6
81.07039	3.5
83.04996	1.1
83.08581	0.7
85.02885	0.5
87.16024	0.4
91.05482	5.3
93.07027	2.0
95.01334	0.9
95.04946	1.1
95.08592	1.5
97.02895	0.5
98.06016	0.5
99.00852	0.6
99.08107	0.5
103.05475	1.9
105.03403	0.9
105.07027	4.6
107.04961	2.3
107.08604	1.7
109.02882	0.7
109.06527	0.4
109.10150	9.1
110.09679	1.8
115.05444	4.1
116.06255	0.6
117.07007	3.2
119.01935	0.6
119.04934	1.3
119.08594	2.5
121.02881	0.9
121.06490	1.2
121.10139	0.8
122.81739	0.4
128.06207	2.3
129.06982	3.5
130.07762	1.0
131.04926	12.1
131.05849	0.9
131.08571	4.2
133.02875	3.0
133.06506	2.8
133.10155	2.2
135.04353	0.6
135.11673	0.5
137.09650	0.7
141.06967	2.9
142.07742	2.1
143.04893	1.3
143.08539	2.0
144.05681	0.8
144.09338	0.5
145.06479	4.7
145.10107	4.7
146.07274	0.9
147.04419	7.5
147.07974	0.7
147.11644	0.6
149.02312	0.5
149.05952	1.1
151.03908	0.7
152.06192	0.5
153.07024	2.0
154.07750	0.9
155.06046	0.6
155.08534	5.6
155.10571	0.6
156.09209	0.5
157.06544	1.0
157.10155	1.8
158.07251	2.3
159.04420	16.2
159.08035	4.1
159.11728	2.9
161.05925	0.6
161.09621	10.2
163.03886	1.5
165.06987	3.6
167.03412	0.7
167.08568	0.6
168.05695	1.1
168.09441	0.7
169.06464	1.9
169.10124	1.3
170.07262	1.2
171.04375	1.2
171.08009	1.0
171.11711	1.1
172.05217	1.3
172.08754	0.7
173.05992	3.9
173.09618	5.4
173.11732	1.7
173.13263	3.0
175.03909	22.4
176.04379	0.5
177.05531	1.2
183.06538	0.9
183.08006	4.3
183.11687	1.8
185.05968	1.5
185.09608	1.2
185.13231	0.5
186.06735	2.8
186.10541	0.5
187.03908	23.0
187.07523	8.8
187.11169	2.2
187.14780	1.0
189.05498	1.0
196.08820	1.2
197.06007	1.0
199.03886	1.1
200.04649	1.7
201.05463	6.4
201.09108	7.1
201.12729	1.6
211.07602	5.0
211.11201	1.0
211.14810	0.5
213.05508	4.4
214.04352	0.7
214.06261	7.0
215.06503	0.4
229.08600	100.0
229.12254	4.7
229.16008	3.7
229.19490	3.3
230.08928	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	228.1746
Annotation	erythrinan
Peak:m/z	Relative Intensity
51.90086	0.2
52.49470	0.1
55.05513	1.4
57.03424	0.2
57.07061	0.2
67.05505	1.3
69.03402	0.2
69.07056	0.7
70.06605	0.3
73.97739	0.2
79.05480	0.3
81.07058	1.7
83.04944	0.3
83.08609	0.6
84.48644	0.2
85.06532	0.2
91.05488	1.0
93.07040	0.5
95.04996	0.2
95.08614	2.0
97.06516	0.2
101.18854	0.2
103.05457	0.2
105.07018	0.7
107.08598	0.2
109.02892	0.2
109.10155	0.5
113.40707	0.2
115.05464	0.3
117.06986	0.6
118.06529	0.5
119.08568	0.4
120.18081	0.2
128.06209	0.3
129.06979	0.5
130.06505	1.2
131.04938	2.2
131.08530	0.2
133.10155	0.3
137.13208	0.2
143.07336	0.2
143.08522	0.3
145.06453	0.3
145.10004	0.2
147.04420	0.7
153.07030	0.3
155.08534	0.6
156.04366	0.2
156.08095	1.1
157.08823	0.2
158.06013	5.3
159.04436	2.5
161.13248	1.0
165.06989	0.2
167.07227	0.4
167.08623	0.2
168.07405	0.7
170.09674	1.1
171.10399	1.7
171.11723	0.2
172.11249	0.8
173.06026	0.5
173.09631	0.3
174.05484	0.4
175.03917	3.5
178.05722	0.2
179.14224	0.3
182.09669	0.6
183.06538	0.2
183.08055	0.4
184.11177	1.3
185.11913	0.8
186.05505	0.6
187.03929	3.5
187.07590	0.8
189.05479	0.3
195.95934	0.2
196.36755	0.2
198.12776	2.2
198.14432	0.3
199.13545	0.2
200.10725	1.0
200.14365	0.2
201.05513	1.4
201.09180	0.4
210.09096	0.3
211.07600	0.4
212.14343	30.8
213.05507	0.3
213.15077	4.1
214.06340	0.4
226.15810	0.3
228.06635	0.6
228.10289	1.3
228.17476	100.0
229.05025	0.4
229.08617	7.0
229.17804	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	228.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01866	1.7
55.05506	4.9
56.05028	1.2
56.05836	0.7
56.96562	100.0
57.03429	2.4
57.10454	0.6
58.06597	2.0
60.04524	0.8
60.05635	0.7
60.08167	1.0
60.95836	0.7
61.02922	1.7
65.03947	0.7
67.05501	1.5
68.05030	4.0
69.03422	4.5
69.07060	2.0
69.67841	2.9
69.68250	1.4
70.06591	22.7
70.98115	7.0
71.04990	2.9
71.06912	1.1
71.08632	0.8
71.95264	1.3
72.08154	11.1
73.02892	3.4
73.06539	1.3
74.97598	5.3
79.05495	2.3
80.05012	1.3
81.03389	2.0
81.07051	9.0
82.06567	3.2
83.04989	1.4
83.06099	10.7
84.04499	3.3
84.08140	53.8
84.96040	4.9
85.02900	4.4
85.06538	1.0
85.08467	1.4
86.06072	0.9
86.09705	10.1
86.97574	1.5
88.03980	0.7
88.99152	5.8
91.05464	1.6
92.98627	0.8
93.07050	0.9
94.06583	1.0
95.06087	73.4
96.04469	0.8
96.08116	1.3
97.02896	4.1
97.07661	1.0
97.99183	1.3
98.06026	1.4
98.21491	1.2
98.97573	16.7
99.04452	1.1
100.07620	1.8
100.99133	4.4
101.00871	0.7
102.05565	1.2
102.96996	1.1
105.03390	1.5
106.06563	0.8
107.00186	2.7
107.04948	1.7
108.08109	0.8
109.02885	1.8
109.06516	0.9
110.06052	3.1
110.07164	5.5
110.97556	3.0
111.05604	0.8
112.04021	0.7
112.07543	2.3
112.08728	27.7
112.11287	0.8
114.05536	1.8
114.06667	0.7
115.08662	0.7
116.00222	1.3
116.07081	2.6
116.98605	13.5
117.10262	0.7
119.00194	7.0
119.01855	2.3
119.04957	1.1
120.08103	1.0
121.02858	1.2
122.06003	0.8
123.04450	0.9
124.03938	0.8
124.07587	1.8
125.07111	0.8
125.10710	1.4
126.05486	1.1
126.97091	0.7
127.03901	2.9
128.07138	1.5
128.98607	7.7
129.10225	6.7
130.96559	1.8
131.00133	0.8
131.01863	0.8
131.04869	1.2
133.01765	3.4
134.01233	1.3
134.99640	10.8
136.07550	1.5
137.01210	1.2
137.05974	2.4
138.05475	1.3
138.09151	1.6
139.03912	2.3
139.08733	0.7
140.07057	2.6
140.10739	1.1
141.10217	1.5
142.01715	1.0
142.08627	3.9
143.00198	1.5
144.98083	13.4
145.01712	1.7
146.99651	9.2
148.97545	3.0
149.01178	1.1
150.05457	1.0
151.02757	1.5
151.03914	0.7
151.12323	1.6
152.07034	1.4
153.00720	1.9
153.05450	1.2
154.04999	1.9
154.08591	0.8
155.04587	3.7
155.11841	1.4
155.54819	0.8
156.03320	25.0
156.07718	1.6
156.98050	0.8
157.10771	0.8
158.01273	0.9
158.99590	3.5
159.04535	0.6
161.01224	4.2
161.02940	0.8
162.99144	28.5
163.00519	1.6
163.02747	1.7
163.12297	6.0
164.06995	1.2
165.00703	2.1
165.05505	0.9
165.10335	0.8
166.08685	1.1
166.98642	1.6
167.07071	1.3
168.03297	5.4
168.07458	1.8
169.09760	1.3
170.01265	0.9
170.99571	1.0
174.04376	47.5
174.99153	1.8
177.00713	4.5
177.04225	0.7
177.05721	1.0
179.02287	1.6
181.00186	16.6
181.13358	1.1
182.02759	3.3
182.07957	1.1
182.09406	1.0
183.11278	1.9
183.14893	6.4
184.02959	0.8
184.09633	1.7
186.00777	2.8
186.04378	40.1
186.99094	1.7
187.04512	1.0
192.05264	9.9
192.06876	1.0
192.08034	0.8
193.00146	0.9
193.13379	4.2
197.06033	1.8
199.01309	1.6
199.14394	1.2
201.00748	0.9
204.05431	56.2
205.00180	12.6
205.03802	1.8
205.05556	1.0
205.98759	1.5
208.04910	1.0
209.05954	2.9
210.07666	3.6
210.09387	0.8
210.16013	15.2
211.12131	1.5
211.14372	15.9
218.07230	0.7
219.01752	1.5
222.06479	4.0
223.01247	33.7
223.04749	1.4
227.07019	2.6
228.01723	1.2
228.05377	17.0
228.08649	12.2
228.12314	1.8
228.17072	84.0
228.23103	5.9
229.05191	0.8
229.08698	4.4
229.11975	1.0
229.15468	23.0
229.17435	1.5
237.02771	1.4
241.02292	5.5
246.02818	2.3
246.06479	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0655
Annotation	Clausine O
Peak:m/z	Relative Intensity
70.00115	0.5
94.07327	0.1
95.08567	0.2
96.08932	0.2
100.25415	0.1
103.05418	0.2
123.16911	0.2
130.06494	0.9
131.04889	0.2
142.06500	0.2
154.06502	2.2
156.08080	0.5
158.06021	3.8
158.09647	0.2
164.11502	0.3
167.07025	0.2
168.07364	0.2
170.09639	0.5
171.10381	0.7
172.07582	1.4
176.07057	2.7
178.05766	0.2
182.06009	3.4
184.11249	0.5
185.09596	0.2
185.12007	0.4
186.05498	7.0
187.03902	0.2
188.08302	0.2
198.12793	1.1
200.07065	1.7
200.14496	0.1
204.06567	2.5
210.05516	1.2
212.14340	11.9
213.15125	1.8
228.06548	100.0
228.17464	41.3
229.06778	1.7
229.08688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43396	0.3
54.41238	0.3
56.05027	0.5
56.96564	23.5
57.03448	0.6
58.06596	1.9
61.02921	0.4
69.03416	0.9
70.06583	2.0
70.27236	1.0
70.98118	2.3
71.95263	0.6
72.08157	1.3
72.96042	0.5
73.02933	0.6
74.97626	1.1
81.03396	0.6
82.06567	1.4
83.06113	0.6
84.08142	100.0
84.91188	0.5
84.96033	2.3
85.02907	1.5
85.08485	0.6
85.58165	0.3
86.09728	0.4
86.97614	0.4
87.04502	0.3
87.08308	0.3
88.99154	1.0
93.59240	0.3
97.02902	1.0
97.99190	0.4
98.09657	0.4
98.97581	15.1
99.04449	0.5
100.02498	0.3
100.11273	0.7
100.99155	1.4
101.00879	0.5
109.02869	0.3
110.06058	0.6
110.97576	1.3
112.07617	0.6
114.05540	0.3
115.00721	0.4
116.98618	9.8
119.00217	1.0
119.01899	1.7
120.98063	0.3
126.97031	0.5
127.03899	0.7
128.07047	0.6
128.98625	1.7
130.96521	0.4
131.00194	0.6
131.01891	0.4
133.01706	0.9
134.02290	0.6
134.99648	4.1
137.02933	0.4
138.02234	0.5
140.00090	0.3
143.00203	0.7
144.10233	0.4
144.98068	3.6
144.99831	0.6
146.99638	1.5
147.03090	0.6
148.97575	0.7
149.01266	0.6
153.00735	0.4
156.03326	10.9
158.01201	0.6
158.99657	0.6
161.01218	1.3
161.02893	0.4
162.99150	6.5
163.04486	0.7
165.00729	0.3
166.52374	0.3
168.03271	2.2
172.02878	0.3
173.02837	0.4
174.04385	12.6
174.99231	0.3
177.00737	1.1
177.02185	0.3
178.03845	0.3
179.02332	0.4
181.00217	2.5
186.04388	14.9
186.07906	0.9
186.99110	0.4
187.00851	0.3
187.04488	0.4
189.00606	0.4
190.03865	0.6
191.00319	0.3
191.02116	0.3
192.05348	1.8
196.05017	0.4
197.06012	0.4
200.05951	0.7
201.00734	0.4
204.05438	16.7
204.08913	3.7
205.00211	3.5
205.05571	0.3
207.05397	0.3
208.04956	0.3
209.05930	0.7
216.38948	0.4
219.01759	0.5
222.06560	1.7
223.01242	6.4
227.07079	0.6
228.05429	21.5
228.08797	6.7
229.15451	0.7
241.02379	0.8
246.06493	18.3
246.10141	8.7
247.06844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Annuionone E
Peak:m/z	Relative Intensity
51.89341	0.4
53.00309	0.7
53.03938	1.4
54.54870	0.4
55.01865	1.8
55.05512	6.6
56.02650	1.0
56.57102	0.5
57.03437	1.1
57.07069	1.3
65.03938	1.0
67.05505	22.0
69.03422	0.8
69.07066	5.8
71.04992	100.0
71.08640	0.6
71.52660	0.8
72.05328	1.1
79.05490	10.6
81.07055	30.5
83.04979	1.7
83.08615	5.1
85.06536	2.7
91.05480	6.1
92.31892	0.6
93.07042	15.0
95.04984	2.5
95.08605	16.8
97.06527	3.7
97.10167	4.4
99.04459	0.7
99.08067	0.9
100.11252	2.0
101.38770	0.5
103.05478	0.7
105.07035	3.1
106.07319	0.6
107.04944	1.4
107.08588	6.8
109.06518	1.6
109.10170	3.7
111.04485	0.5
111.08128	2.3
113.00533	0.5
115.05453	0.9
117.07030	4.3
119.08597	1.9
121.06523	1.7
121.10148	2.5
121.11582	0.5
123.04430	1.0
123.08103	1.3
123.11679	0.5
125.09626	3.3
127.07549	0.5
128.06242	2.2
129.07025	1.3
131.04935	0.7
131.08557	4.4
131.97458	0.6
133.10135	5.1
135.08046	0.7
135.11687	10.0
137.05937	0.6
139.07722	0.5
142.07738	0.5
143.08577	2.8
147.11774	0.6
149.05997	1.0
149.13248	5.1
151.11131	0.6
153.07031	0.9
155.07037	0.7
155.08508	0.6
156.08072	0.5
156.09332	0.6
157.06479	0.7
157.10103	1.9
158.06017	0.8
159.11703	6.3
163.11246	0.5
167.07045	8.3
167.08453	1.0
169.06532	0.6
171.04453	1.4
171.08038	4.1
171.11763	1.3
175.14861	1.3
177.05461	2.1
177.12762	3.0
181.04944	1.3
181.06435	0.6
183.08029	0.6
184.05182	2.3
185.05962	0.8
185.09647	0.8
189.11162	1.5
193.15904	0.6
195.13818	1.2
199.03975	1.5
199.07544	2.9
199.11214	0.6
209.07988	1.1
209.15355	1.4
212.04608	2.7
227.07040	19.2
227.10648	1.7
227.12433	4.9
227.14409	1.8
227.18095	2.9
228.06882	0.8
228.10237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	Chloriolide
Peak:m/z	Relative Intensity
53.03918	4.1
53.50974	1.6
55.01847	4.9
55.05513	20.1
57.07050	4.0
59.04980	2.3
67.05508	16.8
69.03378	1.9
69.07073	13.6
69.41847	15.4
70.53595	1.9
71.04980	3.6
73.02893	4.2
77.03909	2.1
78.04687	4.3
79.05502	28.0
81.03380	4.0
81.07056	24.1
83.04955	5.4
83.08618	13.3
85.52743	1.9
86.09660	2.3
91.05489	16.9
93.07042	37.7
95.04990	8.8
95.08607	36.2
97.02843	3.5
97.06475	4.2
97.10121	4.1
97.80511	1.8
98.20792	4.5
99.04421	6.6
100.11201	8.4
103.05396	5.5
103.78418	1.9
105.03268	2.2
105.06977	7.5
107.04957	11.9
107.08586	24.8
107.36729	2.1
108.01987	1.7
109.06472	5.2
109.10087	5.0
111.04420	2.4
111.07993	2.1
117.06963	8.0
119.08602	10.4
121.06504	13.9
121.10164	10.3
123.04350	7.9
124.05106	2.5
125.05923	3.6
125.09620	2.7
128.06128	6.0
129.06879	2.5
131.04857	4.5
133.10107	4.7
135.04362	3.7
135.08046	4.0
135.11691	44.2
137.05931	4.7
140.04573	5.0
143.08501	6.7
145.10112	23.6
148.05232	2.4
149.05974	13.5
154.06461	2.2
155.06947	5.9
157.06386	2.3
157.10046	5.3
158.05966	3.5
159.04343	4.3
163.11186	60.0
164.80292	1.9
167.07053	73.3
171.07935	6.8
171.11613	4.2
177.05502	19.4
181.04851	5.4
181.08510	2.5
181.12199	12.0
182.05809	2.7
183.07954	2.0
185.09521	4.2
186.05406	8.3
199.07474	3.0
204.06473	3.1
209.07913	6.7
209.11398	1.8
212.14307	10.2
227.06844	7.7
227.10579	7.2
227.12628	68.7
227.14243	4.7
227.17763	8.3
228.06548	100.0
228.15450	2.6
228.17488	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.14236	0.7
53.03930	2.2
54.07846	0.7
55.01873	7.0
55.05510	5.0
65.03941	6.6
67.05504	6.4
67.55021	0.7
69.03426	5.0
69.07065	1.4
69.79865	3.1
69.80283	1.7
70.06570	1.2
71.04975	1.2
72.00853	0.8
72.08159	1.1
72.33849	0.7
73.02917	40.8
79.05468	2.4
81.03408	6.4
81.07048	1.4
82.04189	2.3
83.04964	3.2
85.02921	5.3
86.09682	1.5
87.20108	0.7
91.05454	2.8
93.03391	2.1
93.07029	2.5
94.97421	0.7
95.04962	8.1
95.08591	1.2
97.02882	2.1
97.06524	3.0
98.20741	0.9
100.11248	7.3
103.05443	1.2
103.45578	0.7
107.04935	1.3
107.08614	1.0
108.02086	1.2
109.02848	2.1
109.06515	1.2
110.03663	3.5
111.04442	1.7
121.06505	1.9
121.10115	1.2
121.94409	0.8
123.00845	0.8
123.04430	10.0
123.11721	0.9
125.02343	3.1
125.05976	1.5
127.03903	1.0
128.26183	0.7
131.04901	0.8
133.10135	1.0
135.08057	0.9
137.05983	1.1
138.03085	2.4
138.06352	1.2
140.04678	50.3
141.05051	1.0
141.87244	0.8
142.02612	3.2
149.06013	1.1
153.05440	4.3
155.07025	60.1
156.07364	1.1
159.98904	0.7
164.04219	2.0
165.30489	0.8
167.07051	7.5
171.06511	5.9
173.08096	4.6
177.05452	1.8
179.06993	2.9
181.04953	100.0
181.08301	3.6
182.05273	2.1
209.06354	1.7
209.08095	20.1
209.16566	1.6
210.11313	0.8
227.09123	17.0
227.17632	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0814
Annotation	Harman-3-carboxylic acid
Peak:m/z	Relative Intensity
53.03890	0.6
54.71174	0.5
55.01801	1.4
55.05431	3.7
55.05721	1.2
56.96517	1.0
57.03390	0.7
57.07016	1.1
67.05440	1.6
69.03384	0.9
69.06985	5.2
69.34068	5.6
70.06511	2.4
70.06863	0.8
71.04928	0.8
71.08553	0.9
72.08079	0.9
79.05456	1.4
79.05911	0.7
81.03382	0.6
81.06982	2.2
83.04895	1.2
83.06046	0.6
83.08527	2.8
84.08068	1.6
85.06471	0.9
86.09698	5.0
91.05419	1.7
93.06978	1.4
95.04865	2.1
95.08537	1.9
97.06448	1.0
97.10149	1.3
98.21529	1.4
99.08024	0.8
100.11178	1.2
103.05393	0.8
105.06975	0.8
107.04884	0.9
107.08531	1.0
109.06412	1.1
109.07632	0.6
109.10081	0.9
111.04390	0.5
115.05407	1.2
116.98535	0.6
117.05756	35.8
121.06469	0.9
121.10081	1.5
124.07512	0.6
124.08609	0.7
127.03880	0.8
128.06116	1.7
129.07011	5.3
130.06520	44.9
135.11609	0.7
139.11221	0.8
140.04654	1.0
141.05656	2.1
142.06412	1.0
143.07304	23.0
143.08398	1.3
144.74304	0.6
145.10147	0.7
148.07520	1.1
149.05989	0.9
149.13254	0.9
154.06514	11.2
156.06793	1.2
156.08083	19.1
157.06367	1.1
157.07610	21.2
158.06018	9.5
159.06863	0.9
163.02678	0.6
167.03400	0.9
167.07118	4.7
169.05220	5.5
172.07578	0.8
177.05467	1.0
181.04970	1.3
181.07588	9.5
182.06006	5.2
182.08299	4.0
183.05547	0.7
183.09169	11.1
185.07095	100.0
186.07475	1.0
187.06299	2.5
200.07083	2.8
209.07021	7.0
209.08818	0.7
227.08195	29.6
227.19989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01853	1.5
55.05495	2.0
56.05011	1.4
56.96565	31.4
57.03427	2.7
57.07035	0.5
58.06578	0.8
59.04985	0.7
60.04501	0.8
60.05637	0.6
61.02906	1.5
67.05486	2.0
67.93547	0.4
68.05022	2.7
69.03429	4.7
69.06741	0.6
69.07070	8.8
70.06599	25.8
70.53645	0.4
70.98102	0.4
71.04969	1.9
71.06898	0.6
71.95261	2.9
72.04486	0.6
72.08161	4.0
73.02915	3.2
73.06535	1.3
74.06081	0.4
74.98579	0.5
79.05487	2.5
80.05021	0.6
81.03397	1.8
81.04536	0.6
81.07034	0.9
82.02921	0.4
82.06580	2.2
83.04966	0.9
83.05648	0.4
83.06104	5.3
83.97629	0.9
84.04488	2.0
84.08141	19.1
84.96039	2.9
85.02906	6.0
85.06552	0.5
86.06057	0.9
86.09692	2.8
87.04442	1.1
88.03941	0.4
91.05438	1.3
93.07039	0.8
95.01322	0.6
95.04918	1.5
95.06090	52.9
97.02354	0.7
97.02892	6.3
97.06535	6.0
97.07621	1.5
97.96789	0.6
97.99173	1.3
98.06026	1.5
98.87207	0.4
98.97586	24.0
99.04441	1.7
99.09190	0.5
101.00821	0.9
103.05441	0.9
104.01261	0.6
105.03391	6.6
106.03691	0.9
107.04936	1.3
107.06050	1.4
109.02848	1.2
109.07603	0.8
110.01259	0.8
110.06009	0.9
110.07168	2.7
110.09660	0.6
110.97562	2.6
112.07565	1.8
112.08734	15.3
112.99078	0.5
113.02359	0.7
113.07129	0.5
114.05526	1.1
114.09151	1.0
115.00690	0.6
115.03895	1.1
115.08633	0.7
116.00194	0.8
116.07080	1.4
116.98621	18.8
117.02003	0.5
117.98961	0.9
119.01875	3.8
119.04960	0.9
120.05543	0.7
120.08117	6.1
121.06477	0.9
121.07598	1.2
122.07033	0.5
123.04416	1.4
123.09113	0.5
124.99084	0.4
125.07113	23.7
127.03890	1.8
128.02296	1.0
128.98595	3.8
129.10204	1.8
130.04950	0.7
130.08630	1.6
130.93260	1.2
131.00172	2.4
131.01868	1.9
131.04987	0.8
132.10138	0.6
133.01695	0.8
133.07587	2.3
134.01274	0.5
134.98639	0.9
134.99660	12.6
135.09192	0.7
136.07536	0.9
137.02921	0.6
137.05949	0.5
138.02258	1.7
138.09123	1.1
139.08653	0.5
140.00172	0.8
140.98566	0.8
141.02193	0.6
142.01762	1.0
142.03650	0.6
142.96434	0.5
143.00142	1.8
143.01910	0.6
145.01642	0.7
145.03389	1.2
145.04895	0.9
146.99672	3.7
147.03265	0.8
148.03873	0.9
148.07539	0.6
149.01181	1.2
149.05931	0.9
149.10696	0.7
152.07089	0.4
153.00694	2.0
153.06572	2.0
154.03841	1.9
154.07367	4.4
154.93285	0.6
155.04639	0.9
156.03268	2.1
157.01744	0.6
157.03429	1.0
158.01253	1.6
158.08086	1.0
158.92647	0.5
158.99704	2.8
159.03247	0.8
160.02805	0.6
160.04735	0.5
160.97542	1.0
161.01173	3.5
161.02545	0.9
161.04652	1.0
162.05428	0.7
163.02760	0.8
163.04341	1.0
165.05424	0.6
165.10219	2.0
166.04951	0.6
167.07014	6.8
167.08220	0.7
167.11772	0.6
169.04489	0.8
170.05212	2.4
170.99608	0.9
172.02805	0.9
172.94350	0.7
173.01265	0.6
173.02928	1.3
174.04385	0.6
174.99167	0.5
175.02789	0.8
175.04390	1.1
176.02176	0.6
177.00706	3.1
177.04237	1.1
177.05591	1.1
178.04878	0.9
179.02203	0.5
179.11790	12.4
180.10182	1.2
181.06053	1.0
181.09796	0.7
181.13367	3.8
183.14853	0.6
185.01218	1.1
185.02939	1.6
187.02718	0.7
188.97050	3.4
189.00728	1.0
189.04265	0.8
190.95421	0.8
191.03958	1.1
191.11800	1.4
193.03851	0.7
197.01125	0.7
197.12852	3.5
201.00671	1.7
202.01059	0.6
202.03865	1.6
202.05469	0.6
202.09192	0.9
202.98631	0.6
203.02217	1.7
203.03990	2.3
205.03745	0.7
205.05446	1.6
206.98129	2.8
208.14384	0.8
209.12849	74.6
210.13138	1.4
214.05917	1.5
215.02251	0.8
216.98720	1.0
217.05521	0.6
219.01770	2.1
220.04893	2.4
220.99681	0.6
221.03261	1.0
221.05122	2.8
226.03923	2.2
226.05745	0.9
226.09364	1.5
226.15498	100.0
227.13887	1.0
227.15825	1.2
234.99699	1.2
237.02885	2.1
244.04810	2.5
244.10291	1.9
248.95876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76017	0.4
56.96566	2.0
58.06602	19.4
70.06595	5.0
72.08160	3.9
74.06794	0.3
84.08141	8.0
98.09689	4.5
98.97566	0.4
100.11258	4.7
101.00893	0.9
116.07093	2.4
119.01919	1.8
126.09133	0.4
128.98581	0.5
131.00162	0.5
155.08685	0.6
156.45700	0.4
157.05875	1.5
164.09201	3.4
173.09714	0.7
175.06822	0.4
184.08191	9.5
189.64204	0.3
199.06839	0.6
200.11295	1.3
202.09248	52.3
203.09462	1.1
217.07947	5.2
220.10326	2.4
225.10799	1.2
226.09247	65.1
226.63397	8.3
227.09424	1.4
244.10310	100.0
245.10555	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	226.0711
Annotation	4-Amino-4-deoxychorismate
Peak:m/z	Relative Intensity
53.00302	0.4
53.03942	0.5
55.05503	0.8
56.96556	0.8
57.07073	0.9
65.03926	1.8
67.05482	0.9
68.05044	0.5
68.05815	0.5
69.03420	0.6
69.07059	1.2
69.87602	0.4
70.06592	3.2
70.89217	0.4
71.01358	9.7
71.51447	0.7
72.08157	2.0
79.05491	2.3
80.05027	2.3
81.03407	0.5
81.07043	1.5
81.64345	0.4
82.06560	0.7
82.18507	0.4
83.04958	1.0
83.06115	0.7
83.08599	0.7
83.26774	0.4
84.04498	0.8
84.05339	0.5
84.08134	1.0
85.02899	0.5
85.06580	0.4
86.06061	0.4
86.09711	0.7
89.01842	0.6
89.02394	9.4
91.05486	1.3
92.05013	4.3
92.05592	0.5
92.05820	0.5
93.03391	1.0
93.07079	0.6
95.04969	1.8
95.06084	2.9
95.08602	0.7
96.05282	1.0
96.08884	0.5
97.06510	0.5
98.97584	0.8
99.00815	1.5
100.07603	0.9
107.04953	3.0
108.04477	7.8
108.05183	0.8
109.10184	0.5
110.06043	100.0
111.04446	2.1
111.06383	1.4
112.08747	1.2
116.98572	0.5
119.04896	0.5
120.04527	0.5
120.05540	2.8
120.08112	1.2
121.02882	0.6
121.06537	0.6
122.06036	0.5
123.04422	0.5
124.04751	0.5
125.05985	1.0
125.07151	0.5
126.06339	0.6
128.07080	1.1
129.10226	0.5
130.08716	0.4
130.62306	0.4
134.99643	0.5
136.03941	11.8
136.07565	0.7
137.05960	0.7
138.05481	1.4
148.04745	0.9
152.08044	0.6
155.07111	0.8
162.05531	2.0
162.13644	0.4
163.11200	0.5
164.11519	2.3
167.07048	1.4
176.04242	1.1
179.11765	0.6
180.06544	9.9
180.10211	0.6
181.04922	0.5
182.12573	0.4
183.06845	0.6
184.06857	0.8
208.04359	0.5
208.06717	1.2
208.14252	0.6
209.12871	1.9
225.56648	0.5
226.05197	0.6
226.07159	1.4
226.09813	4.6
226.15567	5.6
227.06908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.1
55.01870	0.3
56.96565	3.3
57.07058	0.1
63.02119	0.1
63.02394	0.1
65.03935	0.1
67.01868	0.2
67.05492	0.1
69.48642	0.5
71.04989	0.2
71.95263	0.1
75.02354	0.1
77.03944	0.1
79.05508	0.1
82.06599	0.1
91.05498	0.2
93.07034	0.1
94.05396	0.1
95.04953	0.1
102.04703	0.1
103.05440	0.1
105.03380	0.1
107.04959	0.1
115.05442	1.9
116.06263	0.1
119.04990	0.1
123.03785	0.1
127.05393	0.5
128.03163	0.1
128.06221	1.9
129.02278	0.4
129.06984	0.3
129.52490	0.1
131.04913	1.0
135.01994	0.1
139.05478	0.2
140.04912	0.1
141.06984	30.5
142.02834	0.3
142.04089	0.1
142.07805	5.4
143.04968	0.2
143.08571	1.1
144.02612	0.3
144.05701	0.5
145.01700	0.2
145.06451	0.5
147.03276	0.9
147.04420	0.2
149.05394	0.1
151.03375	0.1
152.06192	0.7
153.02013	0.2
153.06973	1.2
154.07745	0.1
155.04909	13.3
155.05852	0.6
155.08458	0.3
156.05580	0.4
157.06508	0.1
158.03618	0.2
159.04460	0.6
159.08002	0.1
160.02847	0.2
160.04611	0.1
161.03613	0.4
162.02603	0.3
162.04311	0.1
165.04355	0.2
165.06973	0.1
167.03574	0.2
167.08179	0.1
168.04367	0.7
168.05757	0.3
169.06483	20.9
169.53755	0.1
170.04190	0.5
170.07263	5.0
170.10382	0.3
171.04381	1.2
171.08046	1.1
172.54459	0.1
173.06024	0.2
174.04359	0.1
175.03918	0.5
175.06932	0.1
176.04068	0.4
176.54289	0.1
177.04929	0.7
179.55150	0.3
180.05881	0.2
180.08698	0.1
181.06487	1.8
182.04202	0.1
182.07047	0.2
183.04410	5.1
183.07831	0.3
184.05214	0.7
185.05905	0.4
187.03856	0.4
188.55780	0.1
189.05347	0.4
189.06932	0.1
194.05914	1.2
194.56163	0.2
195.07944	0.1
197.05978	15.1
198.06752	51.6
199.03914	2.1
199.07430	2.8
201.05415	0.3
203.06471	4.2
203.56561	0.7
205.56810	0.5
209.06010	0.1
211.03873	0.2
211.07454	0.6
212.04732	0.7
212.06992	3.7
212.57176	0.5
213.09131	0.2
214.57275	1.0
215.07376	0.2
221.07634	0.4
223.57887	0.7
225.05527	1.0
226.06232	100.0
227.06947	10.0
227.10689	0.3
241.08485	0.5
243.10071	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	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.03316	0.9
51.22002	0.9
53.03955	1.1
55.05490	3.6
55.40918	1.1
57.07080	2.3
60.45446	0.9
65.03948	1.7
67.05508	7.5
69.03435	3.3
69.07063	4.9
69.69910	5.5
69.70341	1.6
70.15149	1.0
71.04974	4.0
79.05496	5.0
81.07045	23.2
83.04977	2.4
83.08614	2.1
85.02901	100.0
85.06535	1.4
91.05474	17.8
93.07048	7.7
95.04984	3.4
95.08582	13.6
95.53037	1.0
97.06523	2.9
99.04444	7.8
103.05438	1.4
105.07016	10.4
107.08591	13.2
109.06527	4.5
109.10138	16.0
111.04372	1.3
111.08070	8.3
111.32802	0.9
117.06961	1.3
118.04139	1.1
119.04925	13.7
119.08572	10.5
121.02849	2.9
121.06498	2.9
121.10130	16.0
123.04447	1.6
123.08064	4.7
123.11694	76.3
124.12002	1.3
125.05988	6.4
125.09633	2.0
131.04865	0.9
131.08592	5.4
133.10121	2.4
133.86296	1.2
135.08067	1.3
135.11696	1.6
137.05948	1.7
137.09596	5.1
137.13286	1.4
139.11195	1.0
143.08614	1.1
145.10081	2.8
147.04425	11.2
147.08057	3.5
147.11667	7.4
149.02393	2.4
149.09610	18.5
149.13113	1.1
151.07533	3.9
151.11180	1.5
157.03986	1.0
157.31154	1.2
159.11603	1.2
161.13258	6.9
163.11168	2.6
164.04674	1.1
165.09094	1.8
165.12761	4.1
167.10678	2.6
171.11682	2.5
175.03889	18.7
177.12730	2.2
179.06960	1.5
179.14279	4.2
183.06534	1.7
188.90567	1.0
189.12752	9.2
192.04134	6.8
195.13805	2.1
196.81522	1.0
207.06514	21.1
207.13792	22.3
210.52968	0.9
225.14803	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03948	3.8
53.43039	1.7
55.01863	3.1
55.05509	9.8
56.96561	2.7
57.03423	4.8
57.07063	4.0
59.04985	5.5
65.03931	5.1
67.05505	14.4
67.71402	1.7
69.03435	15.3
69.07070	15.5
69.78878	4.0
69.79294	6.6
70.06596	4.4
71.04998	13.4
72.08141	1.8
77.03935	2.4
79.05486	14.5
81.03405	2.9
81.07053	19.3
83.04971	10.8
83.08605	5.3
84.08121	2.3
85.02892	3.9
85.06536	6.8
87.04455	2.4
91.05480	70.0
93.07042	25.5
95.04966	16.2
95.08605	18.8
97.02879	2.4
97.06524	13.3
98.21472	2.3
99.04460	23.0
99.08078	4.0
101.05983	3.2
103.05463	3.3
105.03392	3.3
105.07030	28.5
107.04923	4.9
107.07872	3.6
107.08587	53.2
108.05631	1.7
109.06524	21.6
109.10137	16.9
111.08072	10.2
115.07642	1.9
117.07005	2.7
118.04148	6.4
119.04937	65.8
119.08581	32.2
120.08113	2.0
121.02898	3.2
121.06499	11.3
121.09320	3.2
121.10142	38.0
122.07235	3.4
123.04405	5.9
123.08061	17.7
123.11704	6.6
125.05960	4.7
125.09612	7.5
127.07537	2.4
128.04082	2.8
128.62444	1.5
129.07022	2.1
131.08566	8.1
132.02052	5.4
133.06500	3.3
133.10117	9.1
135.04391	2.8
135.08041	7.0
135.11693	6.0
137.05983	3.3
137.09618	44.7
137.13234	3.6
139.11162	2.1
141.09094	3.3
142.08646	1.9
143.08554	3.3
145.10121	7.9
146.03653	2.8
147.03242	3.1
147.04407	50.2
147.05536	3.9
147.08049	5.7
147.11691	23.9
149.02324	8.2
149.09621	31.3
149.13281	3.9
151.07538	7.1
151.11186	37.9
155.07060	2.1
156.09296	4.7
157.03935	5.4
159.03336	2.0
159.08119	1.7
159.11674	5.6
161.09619	3.6
161.13261	23.6
163.11180	13.1
164.04651	5.0
165.09100	4.6
165.12759	8.8
167.10663	29.7
171.11678	11.7
174.10429	2.0
175.03908	83.9
177.01813	3.2
177.04308	4.9
177.12721	16.7
179.07033	7.0
179.14307	4.1
180.04135	2.3
182.05266	2.5
183.06520	4.8
183.13739	1.8
189.12747	31.1
191.05771	4.7
192.04164	30.6
193.04895	2.2
195.13779	3.0
199.16106	1.6
202.16055	1.6
202.18103	1.7
207.06528	100.0
207.13782	51.6
208.06937	4.0
225.05537	2.7
225.07507	3.4
225.14856	35.6
225.16937	3.0
226.10509	1.9
226.15247	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03944	6.1
55.01866	5.0
55.05516	17.6
56.69036	2.7
57.03423	4.7
57.07071	13.8
59.04994	12.3
65.03938	4.3
67.05505	22.3
69.03429	32.5
69.07069	39.6
70.06579	9.8
70.54945	6.7
71.04991	22.2
72.08142	6.5
79.05486	24.9
81.03415	7.7
81.07062	60.1
83.04984	30.7
83.08626	13.9
84.08129	4.3
85.02892	6.7
85.06538	6.7
87.04456	8.6
91.05482	59.6
93.07036	60.2
95.04970	34.7
95.08603	40.9
97.06513	25.3
97.10188	4.5
99.04453	28.6
103.05460	3.4
105.03368	7.2
105.07024	56.5
107.04950	6.9
107.08588	49.2
108.05814	3.6
109.06513	31.2
109.10161	20.9
111.04408	3.7
111.08086	14.3
113.06053	4.6
115.07584	3.5
117.07044	8.4
118.04124	5.2
119.04939	35.8
119.08595	55.5
120.08150	3.4
121.06509	7.1
121.10147	36.8
123.04430	17.4
123.08075	27.8
123.11704	13.2
125.05991	28.4
125.09644	8.3
131.08569	7.8
133.06499	5.6
133.10109	31.1
135.08044	6.4
135.11699	12.6
137.05971	10.4
137.09615	20.9
139.11200	4.9
141.09108	3.3
143.08514	4.1
145.10138	10.5
147.04398	23.0
147.08046	11.8
147.11673	40.5
149.02289	6.8
149.09607	21.5
151.07544	21.6
151.11171	42.9
155.07082	5.4
156.09355	7.7
157.03961	3.5
159.07932	3.2
159.11681	8.3
161.09662	8.3
161.13254	33.9
163.11189	60.0
164.04716	3.9
165.05478	4.5
165.09099	7.6
165.12755	10.3
167.10695	9.4
169.08647	3.6
171.11731	15.1
174.10429	4.9
175.03918	42.8
177.12741	11.2
179.06993	5.1
179.14307	9.8
180.04210	4.5
181.12210	6.2
183.06540	13.3
183.13803	8.5
189.12740	41.8
192.04131	16.5
193.04984	4.3
207.06549	57.0
207.13797	100.0
207.15749	4.9
225.07500	7.2
225.12891	4.0
225.14870	43.9
248.42134	3.3
248.88872	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0868
Annotation	3-Hydroxy-L-kynurenine
Peak:m/z	Relative Intensity
50.67917	0.3
51.52287	0.2
53.03936	0.4
55.01873	0.3
55.05523	0.2
56.96563	0.5
57.03420	0.4
60.18507	0.2
65.03929	1.7
67.05508	0.5
69.03407	0.5
69.07068	0.7
70.02944	1.2
70.06583	1.0
71.04992	0.4
71.12109	0.2
71.51432	0.4
72.08144	0.4
74.02436	28.6
76.65635	0.2
79.05486	0.4
81.03390	0.4
81.07049	0.8
82.06567	0.4
83.04974	0.3
84.04494	0.9
84.08134	0.5
85.02892	0.5
86.09691	0.9
88.03983	5.4
89.92502	0.3
91.05479	2.1
92.05000	5.0
93.03386	0.9
93.07023	0.5
95.04958	3.5
95.08610	0.6
98.97591	0.6
99.04405	0.5
103.05489	0.4
105.03364	0.4
105.06995	0.2
106.06533	0.2
107.04939	0.4
107.08589	0.6
108.04472	1.0
109.05313	0.2
109.06544	0.4
109.10164	0.4
110.06034	100.0
111.04424	1.0
111.06383	1.1
114.25918	0.3
116.03465	0.7
116.98563	0.4
119.04947	1.2
119.08583	0.4
120.08111	0.6
121.06516	0.7
123.04424	4.0
133.10123	0.3
134.06013	5.6
136.03923	2.0
140.04683	0.8
147.04395	0.9
149.02399	0.3
149.05988	0.4
152.07085	0.5
155.07021	2.6
161.07086	7.6
162.05516	0.8
165.05466	0.4
172.03929	0.5
175.03902	1.2
179.06630	0.5
179.08153	8.9
180.04193	0.2
183.06514	4.1
183.08040	0.3
190.04974	2.2
192.04185	0.5
207.07840	5.6
207.13741	0.6
225.08846	3.7
225.12273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0755
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
65.03947	4.3
69.03397	1.0
69.41438	9.0
69.41843	2.5
71.05001	2.3
71.29948	1.1
77.03932	1.6
89.03912	3.1
90.78256	1.1
91.05482	53.2
95.04977	1.9
99.04449	5.2
103.05485	1.3
107.04957	2.6
107.08583	2.4
109.06507	2.0
118.04154	6.3
119.04941	54.1
121.02855	1.8
121.10150	2.1
123.04432	1.4
123.74375	1.1
125.05946	1.1
132.02057	4.9
133.02873	1.2
135.04390	2.1
136.05199	1.7
146.03635	1.8
147.03232	2.6
147.04404	46.2
148.04837	1.0
149.02356	9.2
149.09622	1.3
153.05502	1.2
157.03966	3.8
163.03954	1.7
163.11014	1.2
164.04657	6.1
174.03162	1.8
175.03912	81.5
176.04279	2.2
177.01813	2.0
179.07045	4.1
183.06549	1.4
192.04167	25.1
207.06529	100.0
208.06865	2.1
225.14684	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.9
53.03929	2.4
55.01866	2.0
55.05503	4.2
57.03430	1.8
57.07059	1.1
59.04986	1.3
59.35671	0.6
65.03933	4.6
66.07644	0.7
67.05508	4.4
69.03434	3.6
69.07051	2.7
69.58583	1.4
69.59003	3.4
70.06580	1.3
71.04986	7.6
72.08165	0.8
77.03911	1.4
77.32721	0.7
79.05488	4.2
80.12466	0.8
81.03412	1.0
81.07056	6.6
83.04974	3.8
83.08610	3.1
85.02908	4.2
85.06552	1.0
89.03903	1.9
90.04699	0.7
91.05481	57.9
93.03386	1.1
93.07040	5.2
95.04974	9.9
95.08606	9.0
97.02878	1.1
97.06544	4.6
98.21426	0.9
99.04462	17.2
99.08057	1.1
103.05431	2.0
105.03388	3.4
105.07024	5.4
107.04958	3.5
107.08598	10.2
108.05736	1.5
109.06515	7.9
109.10144	3.4
110.91293	0.7
111.04411	1.1
111.08048	2.2
111.99273	0.7
113.09619	1.0
117.07030	1.0
118.04179	8.2
119.04942	57.9
119.08580	5.9
120.08093	0.6
121.02851	1.8
121.06498	2.4
121.10140	7.7
123.04433	10.0
123.08073	5.7
123.11706	4.3
125.05989	4.3
125.09623	2.5
127.05134	0.7
129.03366	1.2
131.08543	1.5
132.02098	4.3
133.02835	1.6
133.06451	0.7
133.10120	3.2
135.04402	3.1
135.08076	1.3
135.11688	1.4
136.05161	2.9
137.05969	3.0
137.09599	3.3
139.11203	1.1
140.04636	2.9
145.02858	0.8
145.10118	1.3
145.31430	0.7
146.03577	1.8
147.04411	48.2
147.08069	1.1
147.11699	3.9
149.02342	9.5
149.05986	1.1
149.09602	9.3
150.03026	1.2
151.03926	1.2
151.07565	5.5
151.11189	2.6
153.05460	1.7
155.07037	4.7
156.09358	0.8
157.03984	4.1
159.11708	0.9
161.06047	1.0
161.09674	1.0
161.13245	4.0
162.03062	1.4
163.03876	1.9
163.11214	5.4
164.04698	6.1
165.05446	2.1
165.07832	0.7
165.09035	4.5
165.12747	3.3
167.07050	1.8
167.10666	5.1
169.08565	0.8
171.11731	1.2
174.03128	1.9
175.03909	82.1
176.04437	1.0
177.01770	3.7
177.12778	1.8
179.07047	6.6
179.08472	1.3
179.14363	1.9
180.04240	1.3
181.08607	1.4
181.12312	0.7
183.04890	1.1
183.06514	13.6
183.08063	1.2
183.11662	0.7
183.13715	3.8
189.12729	4.3
192.04166	26.1
193.04877	1.6
193.08549	4.6
195.13789	1.1
207.06523	100.0
207.13783	10.0
208.06894	2.0
225.07492	2.4
225.12852	1.0
225.14815	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.01870	1.2
55.05488	3.5
56.96556	2.8
57.07048	1.7
65.03936	4.2
67.05488	3.9
69.03436	1.6
69.07060	3.7
69.52415	7.9
71.04980	4.0
77.03899	1.6
79.05486	3.8
81.07045	8.3
83.04973	3.2
83.08604	2.4
85.02903	1.2
85.06534	2.3
89.03909	2.2
91.05479	60.8
93.07046	5.2
95.04983	8.1
95.08616	9.0
97.06525	2.8
99.04468	5.3
99.08076	1.4
103.05450	1.9
105.03381	3.8
105.07037	8.0
107.04960	4.9
107.08588	8.3
109.06505	6.0
109.10165	6.6
111.04446	1.3
111.08073	2.7
117.06977	1.5
118.04175	7.8
119.04940	62.6
119.08567	4.4
121.02865	2.1
121.06482	2.5
121.10120	6.0
122.03632	1.4
123.04418	6.0
123.08066	4.5
123.11703	3.1
125.06030	2.3
129.03362	1.1
129.06992	0.9
131.04895	1.3
132.02090	6.0
133.02837	1.7
133.06435	1.2
133.10092	2.8
135.04419	2.5
135.11664	2.2
136.05185	1.6
137.05968	3.1
137.09621	5.2
137.13255	1.8
139.11235	1.6
145.02881	1.1
146.03610	1.9
147.04411	50.4
147.08020	1.5
147.11711	3.4
149.02327	9.6
149.09660	6.1
150.06387	1.0
151.03967	1.2
151.07515	3.5
151.11150	1.6
155.07047	2.8
157.03970	5.4
161.13226	4.3
163.03885	2.2
163.11235	2.5
164.04671	10.5
165.01826	1.6
165.05437	2.0
165.09219	4.7
165.10396	1.1
165.12733	2.4
167.06999	1.6
167.10666	3.1
169.10042	1.1
174.03130	2.2
174.10391	1.2
175.03909	87.4
176.04320	1.5
177.01805	3.8
179.07037	5.8
179.14220	1.4
180.04158	3.8
183.06551	5.7
183.07993	1.4
183.11700	1.5
183.13754	1.4
189.12733	3.0
192.04172	29.3
193.04956	2.2
193.08672	2.7
207.06525	100.0
207.13768	6.9
208.06918	2.1
225.07274	1.9
225.09218	2.4
225.12753	3.2
225.14859	8.3
242.59058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0757
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03946	2.9
55.01869	3.1
55.05503	5.0
57.03432	2.2
57.07061	1.7
57.11903	1.3
65.03936	3.7
67.05497	6.2
69.03429	3.9
69.07068	3.4
70.58992	3.8
71.04997	9.8
72.08144	2.3
72.70306	1.4
77.03935	2.4
79.05489	5.7
81.03400	1.3
81.07049	9.5
83.04994	6.4
83.08613	3.0
84.08151	1.7
85.02916	3.5
85.06538	2.4
89.03940	1.4
91.05482	54.8
93.07044	8.6
95.04958	15.8
95.08613	10.0
97.02895	3.0
97.06515	4.9
99.04468	15.7
101.45542	1.5
103.05453	2.4
105.03397	2.3
105.07030	11.5
107.04955	3.2
107.08597	12.6
108.05771	2.0
109.06514	10.2
109.10127	6.3
111.08094	2.3
117.06999	1.8
118.04156	5.5
119.04941	49.9
119.05796	2.4
119.08582	7.4
121.02871	2.0
121.06480	4.7
121.10132	11.4
122.03593	1.7
123.04436	13.0
123.08065	10.1
123.11727	4.0
125.05988	7.0
125.09613	4.5
125.56042	1.6
127.07561	2.1
127.33670	1.3
131.08591	2.1
132.02069	4.2
132.91287	1.4
133.06480	1.7
133.10101	3.4
135.04466	1.6
135.11696	2.9
136.05205	2.3
137.05992	3.5
137.09598	4.5
138.90739	1.8
139.07574	3.8
139.11137	1.3
140.04651	3.7
145.10110	2.4
147.04404	39.9
147.07991	1.6
147.11684	6.0
149.02388	6.8
149.05896	1.9
149.09618	12.9
151.03935	1.8
151.07526	11.2
151.11183	4.5
153.09074	2.0
153.84761	1.5
155.07071	8.3
157.03978	5.6
159.11620	1.8
161.13283	4.0
162.03082	1.9
162.06749	2.7
163.03957	1.4
163.11203	7.7
164.04704	4.7
165.09111	6.7
165.12781	4.4
167.07069	6.7
167.10690	7.4
168.07794	3.3
171.11737	2.8
172.84134	1.5
175.03905	71.3
177.01889	2.5
177.12753	2.2
179.07065	5.9
179.10600	1.7
179.14297	3.3
181.12227	4.7
181.84917	1.7
182.09161	1.3
183.06552	22.9
183.13820	2.6
189.12784	7.8
189.65146	1.3
192.04164	20.6
193.04897	2.5
193.08659	3.5
207.06528	100.0
207.13773	14.4
225.07460	7.0
225.11171	3.9
225.14777	19.3
225.16589	1.7
236.90001	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.1
56.96297	1.0
56.96559	9.3
57.07058	1.8
67.05517	1.2
69.07040	1.1
70.91726	1.4
72.78211	0.9
77.00899	1.1
79.05483	1.5
81.07029	2.4
84.08147	1.6
84.96027	4.4
85.06583	0.9
91.05466	1.3
93.07041	1.4
95.08611	1.6
98.97581	7.9
100.02460	1.0
101.00877	9.6
102.97060	0.9
105.03387	2.0
107.08563	0.9
108.90031	0.7
109.06486	1.2
116.98621	8.6
118.03510	1.1
119.01913	69.5
119.08562	1.0
120.02029	3.5
120.98058	0.7
121.01701	0.9
123.08072	1.1
124.92047	0.7
134.99672	8.6
136.04579	1.3
137.02948	30.3
138.03065	1.0
140.98839	0.9
141.05215	0.8
142.03487	10.9
146.96121	0.8
147.11598	0.8
149.09625	1.0
153.00885	4.0
158.01305	1.3
158.99869	5.3
160.04536	5.6
161.02972	3.4
171.05139	0.8
171.98010	1.1
174.00810	1.0
175.02914	0.8
177.00943	100.0
178.01039	11.5
178.03667	1.0
178.94260	0.9
179.00743	3.5
179.03993	5.6
182.99725	3.5
183.04634	0.8
183.06245	1.7
184.04507	3.0
190.95316	1.2
193.04080	1.6
195.02029	2.5
200.02554	3.3
201.00801	9.7
201.02469	1.3
201.07292	1.1
201.09503	0.9
202.00949	1.4
202.02545	1.0
202.05573	2.0
207.06589	1.3
212.07199	0.9
217.04086	10.6
218.03856	1.1
219.01984	91.5
220.02086	17.7
221.01796	2.2
225.00627	3.8
225.04245	1.7
225.09479	1.1
237.95518	1.1
242.03603	3.4
243.01828	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	225.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92883	1.0
56.96566	5.7
69.39101	7.1
84.96037	4.9
91.05457	1.3
95.08634	1.7
98.97580	6.1
101.00877	14.4
107.08627	1.0
116.98613	5.4
119.01917	67.6
120.02015	2.8
123.08115	1.3
123.17796	0.9
134.99756	6.6
137.02950	25.8
138.03079	1.0
140.98857	1.5
142.03467	10.7
143.03586	1.0
153.00845	2.9
158.99825	5.2
160.04510	3.8
161.02937	2.8
171.45082	0.9
177.00949	100.0
178.01059	7.4
179.00798	2.4
179.04033	3.6
182.99786	3.3
183.06203	1.4
184.04475	1.4
195.02031	2.9
199.50075	1.6
200.02615	3.2
201.00775	10.5
201.02483	1.7
202.05586	1.7
217.04036	10.3
219.01999	92.1
220.02078	13.6
221.01956	1.5
225.00940	3.9
242.03622	3.2
243.01949	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	223.2056
Annotation	(E,Z)-farnesol
Peak:m/z	Relative Intensity
53.03933	2.5
55.01871	1.8
55.05517	45.2
55.15580	1.3
56.18246	1.3
56.96548	1.9
57.03419	3.8
57.06835	1.7
57.07080	22.2
67.05506	36.6
69.03420	6.3
69.07072	89.2
69.59599	5.9
69.60027	4.8
71.04995	17.1
71.08645	8.2
73.76263	1.5
76.95755	1.4
79.05499	22.1
79.85262	1.8
81.03380	1.6
81.07059	65.1
83.04972	6.0
83.08620	78.0
85.06029	1.6
85.06551	39.2
85.10165	4.7
91.05470	10.2
93.07047	59.1
95.04980	9.9
95.08611	77.5
97.06526	6.8
97.10176	21.8
98.20852	3.1
99.08074	12.8
105.07037	12.4
107.04950	3.9
107.08597	82.5
109.06528	3.8
109.10162	71.1
111.04401	3.1
111.08085	22.1
111.11719	6.2
113.09687	4.0
117.07016	2.2
119.08572	6.2
121.06503	3.0
121.10142	68.6
123.08093	3.6
123.11716	68.0
125.09623	7.9
125.13284	2.4
126.01031	2.3
131.08578	3.1
133.06433	1.7
133.10095	3.4
135.04379	2.0
135.08072	3.1
135.11699	39.5
137.06036	2.1
137.13274	27.2
139.11166	4.6
139.14848	10.7
145.06374	1.3
149.02342	11.6
149.13264	51.0
151.14786	4.7
153.12715	5.1
159.11700	3.5
162.03065	4.4
163.03969	2.6
163.11183	4.6
163.14857	16.9
165.16354	4.8
167.08533	2.5
167.14333	14.0
177.12698	1.8
177.16374	12.0
178.08693	2.2
179.03554	1.4
179.18015	12.7
180.09302	1.6
181.10097	2.7
181.15909	2.6
190.02545	3.9
193.10191	2.1
195.06461	1.8
195.08063	2.5
205.04840	1.9
205.12175	3.3
205.19536	34.0
208.08859	3.0
223.05939	17.2
223.07704	2.9
223.11302	2.7
223.12982	8.8
223.16965	6.4
223.20576	100.0
224.20787	2.0
225.04300	6.2
227.02138	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	223.1329
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
50.23176	1.8
53.03946	7.4
55.01867	4.0
55.05515	10.9
56.96554	2.8
57.03419	6.7
59.04984	4.8
65.03930	2.5
67.05503	23.3
69.03433	10.9
69.07066	19.9
70.06591	3.7
70.65497	7.3
71.01360	11.1
71.04978	10.8
72.08145	8.0
73.02893	2.7
79.05489	36.4
81.03430	4.7
81.06586	4.0
81.07054	66.5
83.04990	15.9
83.08595	7.2
84.08117	3.2
85.02907	64.6
85.06526	5.8
86.09696	3.9
91.05481	38.3
93.07038	69.9
95.01324	14.2
95.04980	37.0
95.08599	24.2
97.02872	7.0
97.06528	22.7
98.97578	9.0
99.04466	15.1
99.08096	3.2
103.05457	7.7
105.04523	2.3
105.07032	49.6
107.04953	17.9
107.08591	30.8
109.06525	21.9
109.10154	20.7
111.04428	5.1
111.08077	4.4
113.02362	45.2
113.05997	8.2
115.05413	2.8
116.02275	2.1
117.07021	11.1
119.04923	5.2
119.08582	41.2
121.02851	6.1
121.06504	62.2
121.10143	21.2
123.04427	27.0
123.08061	8.8
123.11688	5.9
125.06007	4.4
125.09598	3.1
129.05534	7.3
129.07005	2.9
130.06502	2.3
130.07758	4.0
131.06895	5.5
131.08549	11.3
133.06496	11.5
133.10115	8.3
135.04408	4.7
135.08047	11.6
135.11697	9.9
137.05969	14.6
137.09627	7.2
139.07538	10.3
143.08557	3.7
144.09331	6.6
145.06476	9.2
145.10129	27.8
147.08049	8.1
147.11717	2.4
149.02446	4.0
149.05978	100.0
149.09624	11.9
149.13254	6.0
151.03859	3.6
151.07509	6.8
158.07292	2.3
158.99641	2.1
159.08070	2.6
159.11696	39.3
161.09583	4.5
162.03128	3.8
163.03847	4.9
163.07535	10.0
163.11174	27.1
165.08995	4.5
167.07040	79.5
169.34592	2.0
172.08862	4.1
177.07359	5.5
177.12720	20.5
181.08658	2.6
187.11189	17.0
190.02583	3.8
195.13774	3.1
205.12224	37.3
208.03809	2.6
223.06013	15.7
223.09399	4.9
223.13258	51.1
225.04283	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	223.1327
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03938	0.8
55.01862	1.1
55.05513	6.3
56.05822	0.2
56.96543	0.3
57.03419	0.3
57.07077	0.6
60.70443	0.2
65.03947	0.3
66.25866	0.3
67.05180	0.5
67.05505	5.4
69.03418	0.5
69.07068	5.2
69.89021	1.5
71.04980	0.9
76.19540	0.3
79.05490	3.3
79.23765	0.3
81.03419	10.1
81.07051	4.7
83.04975	1.4
83.08625	2.3
85.02893	0.5
85.06531	0.7
87.08112	0.4
91.05475	3.0
93.07039	2.9
94.04176	3.5
95.04967	15.1
95.08621	2.5
97.02869	0.6
97.06513	0.7
98.20770	0.5
105.03418	0.3
105.07044	1.6
107.04953	5.2
107.08591	1.5
109.06523	1.3
109.10136	0.8
111.08070	0.5
117.07021	1.8
119.08588	1.3
121.06482	1.0
121.10134	1.3
123.04487	0.4
123.08041	0.8
125.05957	0.3
125.09561	0.3
126.01096	0.4
131.08560	0.9
133.10121	0.7
135.08054	0.5
135.11597	0.6
145.06471	0.6
145.10112	1.1
149.02335	1.5
149.05940	0.4
149.09520	0.3
159.11708	0.9
161.09618	0.3
163.11176	1.2
165.06955	0.4
167.08603	0.4
177.12819	0.4
190.02588	0.6
195.08043	0.8
205.10330	0.3
205.12276	1.4
223.05997	2.1
223.13281	100.0
224.09387	0.3
224.13600	3.0
225.04333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.0
55.01866	2.4
55.05513	7.3
55.97244	1.3
56.05033	5.7
56.96569	10.6
57.03430	3.5
57.07064	4.1
57.57901	1.4
58.06610	1.9
59.04988	1.7
59.06113	1.3
60.04517	4.3
60.05643	8.2
65.03948	2.2
67.05515	10.3
68.05038	1.8
68.99795	1.5
69.03420	6.2
69.07079	7.4
70.02950	2.0
70.06203	2.2
70.06592	43.4
71.04982	5.5
71.06930	1.9
71.52235	2.5
72.08154	16.3
73.02901	3.6
74.02450	15.6
74.06052	3.0
79.05496	9.8
80.05030	2.3
81.03417	3.2
81.07060	15.9
82.06547	1.4
83.04958	7.0
83.08624	1.5
84.04511	7.3
84.08146	28.6
84.96049	1.8
85.02913	15.3
85.06540	1.9
85.08434	1.4
86.09709	17.8
88.03988	6.4
91.05473	24.5
93.07042	14.0
94.06561	3.0
95.01311	3.3
95.04974	11.6
95.06087	1.7
95.08602	8.9
97.02871	5.2
97.06530	9.4
98.06062	2.8
98.97598	8.8
99.04448	4.3
103.05458	4.5
105.07033	18.8
106.06547	5.4
107.04959	11.4
107.08620	8.0
108.08110	4.3
109.02861	3.0
109.06506	7.5
109.10160	4.7
110.06039	2.4
110.07155	4.7
110.97607	1.9
111.04359	1.4
111.08050	3.4
112.08714	4.1
113.02383	8.4
115.05467	10.2
116.07058	3.0
116.98618	5.9
117.05803	6.6
117.07015	4.3
118.06545	95.1
119.04960	8.6
119.07349	14.7
119.08578	11.1
120.08124	13.0
121.06505	12.8
121.10140	8.9
122.06037	5.5
123.04451	9.9
123.08055	4.5
123.11701	1.9
124.07549	1.6
125.05959	1.8
128.98611	3.3
129.06998	1.8
129.10252	12.8
130.06520	5.3
130.08682	2.2
131.04939	1.8
131.08559	3.4
132.08089	62.1
133.06480	4.1
133.07480	1.6
133.10124	3.5
134.05989	12.0
134.99669	2.8
135.04436	6.4
135.05550	7.4
135.08107	2.6
135.09181	5.6
135.11693	5.4
136.07578	11.2
136.08499	2.4
137.06023	6.6
137.09621	2.3
139.07520	2.6
142.06567	6.7
145.06494	3.5
145.10109	4.0
146.06017	5.9
146.99654	4.3
147.08003	2.9
148.07448	1.8
149.02328	12.8
149.05969	20.0
149.08351	9.0
149.09607	2.7
149.13235	2.1
150.05441	2.4
150.09143	4.3
151.03934	2.2
153.00745	1.5
153.05505	2.3
159.09186	74.1
159.11626	10.4
160.03967	2.5
160.06256	2.7
160.07581	52.0
161.01332	1.7
161.05994	1.7
161.10736	1.9
162.03166	3.2
162.05513	1.7
162.09122	3.8
163.03925	5.0
163.07545	3.2
163.08673	9.3
163.11122	7.4
164.07018	8.8
165.05402	2.1
165.09100	2.5
167.03302	1.6
167.05659	2.3
167.07018	17.7
170.06062	1.4
171.04416	1.7
173.01361	1.5
175.11899	5.7
177.00725	3.1
177.05356	3.0
177.06738	5.5
177.10248	100.0
177.12729	3.7
178.05023	2.0
178.08647	23.9
180.04172	1.6
180.06522	1.6
181.06142	2.6
181.12190	1.5
182.05646	1.6
187.11168	2.8
188.07065	3.8
190.02641	4.5
192.06677	1.7
192.41617	1.4
195.04832	2.9
199.04327	2.2
200.53905	3.6
205.09764	8.6
205.12202	8.2
206.08144	20.4
206.36620	1.5
208.03687	3.1
209.01126	1.6
209.54257	2.8
214.14182	1.7
217.05498	3.4
219.01660	1.6
222.65530	3.3
223.04172	1.9
223.05737	13.7
223.07237	4.2
223.10786	41.9
223.13293	11.8
223.16891	7.0
223.20567	3.0
224.09186	4.1
225.02046	1.9
225.04285	38.8
227.02214	15.3
237.02826	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.06
Annotation	K 251-1
Peak:m/z	Relative Intensity
53.03950	0.6
55.05489	0.8
56.05050	0.9
62.76614	0.4
64.02739	0.6
67.05481	1.1
69.03410	0.7
69.07049	1.3
69.46801	3.2
71.17024	0.5
73.03587	0.5
74.02393	0.5
78.04713	6.2
79.05476	2.1
79.05906	0.5
81.03416	0.7
81.07049	1.6
82.35951	0.4
83.04990	0.9
85.06548	0.8
91.05472	1.3
93.07027	1.8
93.67913	0.4
95.04945	1.2
95.08590	2.1
97.06520	0.8
105.07017	1.4
106.04167	6.0
107.04930	1.0
107.08585	2.0
109.06482	0.8
109.10170	0.9
110.03683	0.7
117.07006	0.7
119.08571	0.6
121.02857	1.6
121.06484	0.8
121.10114	1.9
123.08029	0.7
126.01140	2.5
133.02861	0.6
134.03618	6.1
135.04408	4.3
135.11684	0.7
137.05913	0.5
145.10115	1.0
147.97003	0.5
149.02330	1.1
159.11742	0.9
161.02350	0.6
162.03120	44.6
163.03918	4.5
163.07719	0.5
163.11186	1.1
164.53561	0.5
165.01833	1.4
167.07062	1.2
177.12825	0.6
179.03389	4.0
180.04156	1.5
187.14803	0.7
190.02605	42.9
191.03188	1.0
193.01297	0.9
193.10052	0.5
195.06467	0.6
195.08084	0.5
205.12215	1.0
205.15651	0.5
207.02879	2.3
208.03670	24.7
223.06000	100.0
223.13281	1.5
223.18777	1.0
224.06380	2.8
225.04236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67593	0.4
63.02380	0.4
66.08765	0.4
69.99632	0.4
71.16914	0.7
72.04518	31.9
73.92324	0.4
79.05506	0.6
82.13530	0.4
89.03919	7.3
89.04422	0.7
91.05486	0.9
105.03321	0.6
109.55754	0.4
117.03381	25.8
120.08886	0.4
121.02858	1.4
134.03650	2.7
135.04425	1.5
137.06003	1.4
145.02844	63.5
149.05981	8.3
162.03142	0.9
163.03932	2.6
176.07153	0.5
177.05470	100.0
178.05832	1.5
186.05531	0.6
207.05246	8.1
222.07755	9.9
222.11232	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.15559	1.4
55.05509	13.2
57.03422	1.9
57.07075	8.8
59.05000	3.6
63.93126	1.3
67.05502	26.0
69.07072	26.0
71.04990	5.3
71.32130	3.1
79.05492	12.4
81.07054	58.6
83.04980	5.9
83.08612	6.7
85.06534	3.9
91.05478	11.8
92.89396	1.6
93.07046	29.7
95.04987	2.5
95.08607	70.8
96.69638	1.5
97.06513	8.3
97.10154	6.1
99.08094	2.4
105.07034	55.6
107.07875	3.3
107.08591	54.3
109.06507	4.5
109.10161	60.7
111.08099	14.3
111.11682	3.8
119.08585	46.1
121.09340	2.3
121.10150	32.3
123.08140	7.8
123.11699	27.6
125.09643	6.7
133.10133	39.9
135.11684	15.4
137.09636	3.6
137.13261	5.1
139.11253	2.1
145.10106	2.5
147.11687	53.5
149.13284	10.4
151.11192	6.5
152.16690	1.7
152.18863	1.7
153.12682	1.9
159.11742	2.0
161.13258	33.6
163.14833	18.7
165.12781	10.4
175.14795	11.5
177.16400	3.9
203.17964	85.4
204.18289	2.8
221.19009	100.0
222.19341	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	221.19
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
51.00146	0.8
53.03942	1.6
53.11412	0.7
55.05510	11.3
57.07061	3.2
59.04977	1.5
65.03934	1.3
67.05502	10.9
69.03411	0.7
69.07068	10.2
69.33089	6.0
69.33508	1.5
71.04990	24.9
78.04667	0.7
79.05072	1.3
79.05492	15.8
79.05955	0.5
81.07055	67.4
83.04958	2.9
83.08635	6.3
85.06545	1.5
91.05480	10.9
93.07039	40.2
95.04941	2.1
95.08604	27.8
97.06519	2.2
97.10171	2.5
99.08092	4.4
103.05463	1.2
105.04484	0.8
105.07034	26.5
107.08593	61.9
109.06506	2.4
109.10152	22.8
111.08086	2.4
111.11725	1.6
111.20161	0.7
111.85485	0.7
113.09628	1.8
117.07003	1.5
119.08578	43.5
121.10139	9.3
123.08096	1.8
123.11703	17.9
125.09631	1.3
127.11178	6.6
131.04974	0.9
131.08565	1.5
133.06512	1.0
133.10129	24.8
135.11688	100.0
136.12042	2.6
137.05933	1.0
137.09605	2.6
137.13228	3.2
139.11244	1.2
145.10110	2.3
147.04372	3.7
147.10501	1.3
147.11676	21.5
147.12817	1.5
148.04793	0.8
149.02269	0.9
149.13240	9.0
151.11208	3.6
159.11752	1.7
161.05962	1.4
161.13252	9.2
163.03868	1.0
163.14842	3.9
165.12761	2.6
175.14844	3.2
177.05330	0.9
177.16364	1.7
179.14369	1.2
190.06232	1.0
193.08717	1.2
203.03168	1.0
203.17963	35.8
221.08034	4.3
221.15425	2.3
221.19008	51.0
222.19289	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03936	2.2
55.01872	2.2
55.05511	12.5
57.07064	4.4
67.05502	13.6
69.07059	10.9
70.01334	6.9
71.04990	17.8
76.72218	1.4
79.05495	16.3
81.07056	56.3
83.04969	3.9
83.08623	6.9
85.06538	2.1
91.05465	13.3
93.07043	37.1
95.04963	5.0
95.08064	2.5
95.08611	31.8
95.82694	1.3
97.06519	3.8
97.10185	2.8
99.08112	2.8
105.03387	2.1
105.06393	2.6
105.07033	29.6
107.08591	55.5
109.06515	3.5
109.10159	23.1
111.08053	4.4
115.05439	2.7
117.07032	2.4
119.08582	38.3
121.02885	1.4
121.10151	12.9
123.08074	2.5
123.11710	19.6
125.09605	2.3
127.05364	1.5
127.11169	3.8
129.06940	1.7
130.06532	1.4
131.08600	2.0
132.05710	1.4
133.06476	4.9
133.10132	25.7
135.11693	100.0
137.09598	5.3
137.13245	3.3
145.10147	2.5
147.04384	4.0
147.11690	22.7
149.02328	4.0
149.13254	8.1
151.07520	1.8
151.11168	3.4
158.06148	1.6
161.05919	7.3
161.09662	1.8
161.13245	12.9
162.06755	2.8
163.03844	3.3
163.14827	5.5
165.12750	1.8
175.03885	1.6
175.07433	2.6
175.08755	3.1
175.11176	2.4
175.14941	2.3
177.05467	3.2
177.16389	2.2
178.06242	2.6
189.05470	1.8
190.06276	4.1
191.03358	2.6
193.08609	3.3
203.07013	1.8
203.10786	2.0
203.17957	35.7
206.05742	2.6
221.04456	2.4
221.08076	12.7
221.11732	4.6
221.15372	4.6
221.19046	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.14581	1.0
53.03942	3.2
55.01865	4.3
55.05508	17.4
56.96564	1.6
57.07067	5.7
59.05004	1.5
65.03927	2.5
66.91590	1.0
67.05507	19.3
69.03432	2.1
69.07070	19.6
69.32905	5.5
69.33332	3.5
70.06596	1.0
71.04999	18.5
72.08140	0.9
74.63398	0.8
77.03867	1.2
79.05495	36.1
81.03405	1.0
81.07052	41.4
83.04972	4.7
83.08623	7.6
84.08125	1.3
85.02875	2.4
85.06537	2.8
87.04473	1.8
91.05479	60.2
93.07044	58.0
93.07916	1.1
95.01389	1.1
95.04953	6.6
95.08611	31.9
97.06530	4.0
97.10146	2.1
99.08092	2.9
103.05456	2.3
105.03387	1.3
105.07032	95.7
106.07365	1.4
107.04951	1.7
107.08592	61.8
109.06515	7.3
109.10161	16.3
111.08081	3.3
113.05999	1.2
117.07029	11.6
119.08578	100.0
120.08890	1.2
121.06490	4.1
121.10145	15.7
123.04442	1.0
123.08063	8.2
123.11707	11.9
125.09579	1.7
127.11193	1.5
128.06219	3.5
129.07019	11.2
129.13762	1.1
131.08572	8.6
133.06480	4.7
133.10121	43.6
135.08058	6.4
135.11691	64.7
137.05983	2.3
137.09608	5.0
137.13243	3.0
139.07544	1.0
141.07018	1.2
142.07771	2.1
143.08563	9.1
145.10120	4.4
147.04398	1.3
147.08043	25.8
147.11693	22.0
149.09616	1.9
149.13268	3.3
151.07515	2.2
151.11195	4.4
153.09195	1.2
157.10114	6.3
159.11682	13.1
161.05975	1.6
161.09622	19.2
161.13254	93.1
162.13640	2.3
163.14827	4.8
165.09122	8.0
165.12772	1.4
175.03966	1.3
175.11172	13.3
175.14822	11.4
177.06215	1.1
179.10680	6.5
185.13272	16.3
193.08542	1.1
197.04878	1.0
203.10693	1.2
203.14316	29.9
203.17952	19.6
206.10847	1.3
206.16241	4.9
221.04442	2.2
221.08070	3.2
221.11801	7.3
221.15390	36.9
221.18962	23.2
222.15762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1534
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.78469	1.2
53.03939	2.9
55.01870	5.7
55.05505	17.6
57.07065	5.8
59.04995	1.3
65.03942	1.9
67.05500	16.8
69.03402	2.5
69.07068	16.9
70.59526	3.7
71.04990	13.5
79.05491	37.7
81.03408	1.2
81.06592	2.2
81.07053	37.1
83.04987	5.9
83.08625	8.0
85.02867	2.5
85.06522	4.6
87.04439	2.0
91.05473	61.0
92.05798	1.5
93.07043	46.3
93.42316	1.3
95.04948	5.6
95.08604	30.9
97.06527	3.0
97.10185	1.6
99.08101	2.7
99.32801	1.2
103.05484	2.0
104.32050	1.2
105.03383	2.8
105.07025	95.5
106.07317	2.6
107.08589	48.1
108.08148	1.2
109.06493	9.1
109.09604	1.1
109.10165	15.3
111.08067	4.1
113.09558	1.5
115.05461	1.8
117.06994	11.3
119.04972	1.4
119.08575	95.9
121.06512	6.7
121.10123	17.4
123.08052	7.5
123.11699	6.5
125.09629	1.7
128.06197	3.0
129.07011	9.2
130.06422	1.6
131.04848	2.1
131.08582	6.8
133.06432	7.0
133.10124	42.4
135.08087	6.7
135.10709	2.3
135.11694	43.9
137.05977	2.8
137.09592	4.5
142.07806	1.7
143.08565	10.7
145.10085	5.1
147.04398	1.9
147.08038	26.0
147.11671	21.5
148.08376	1.4
149.13252	4.1
151.07506	3.4
151.11139	3.4
153.09106	1.8
157.10107	5.9
158.05911	1.3
159.11670	14.7
161.05960	2.8
161.09612	20.9
161.13249	100.0
162.13565	3.3
163.14832	2.9
165.05490	1.8
165.09084	11.7
165.12703	1.8
175.11171	13.3
175.14790	12.9
179.10664	4.6
185.13258	22.0
193.12192	1.8
203.10829	2.6
203.14301	36.4
203.17932	17.2
205.14854	1.3
206.16229	7.0
220.50531	1.3
221.04382	2.8
221.08022	6.1
221.11620	6.4
221.15353	41.3
221.18947	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38154	0.3
52.49913	0.3
53.03945	0.7
55.01875	1.1
55.05511	1.5
56.05038	1.1
56.96561	2.7
57.03441	0.5
57.07079	1.0
58.06602	100.0
59.04985	0.5
59.06950	0.4
60.04530	1.4
65.03951	0.7
67.05178	0.4
67.05498	2.4
68.05016	0.4
69.03435	2.7
69.07082	1.5
70.06595	3.3
71.51263	0.3
72.08160	2.7
73.02920	1.0
74.06094	0.5
74.97626	0.3
75.01631	0.3
79.05483	1.9
81.03443	1.1
81.07065	2.9
82.02965	0.5
82.35015	0.3
83.04981	3.6
83.08641	1.1
84.04530	0.8
84.08148	2.9
85.02925	1.2
85.06561	0.5
86.09736	1.1
88.07660	1.6
90.05601	1.2
91.05455	3.6
93.07052	3.1
94.06589	0.9
95.01347	1.9
95.04987	1.9
95.08636	1.4
97.02915	1.2
98.97568	1.9
101.02484	0.4
103.05480	0.4
105.07032	4.5
107.04971	3.1
107.08612	2.3
109.02891	0.7
109.06563	1.4
109.10209	1.4
110.07228	1.4
111.04449	0.9
111.08081	1.7
113.06036	0.6
115.03994	0.4
115.05460	0.5
116.07101	0.5
116.98682	1.3
117.07085	1.1
119.04932	1.6
119.08586	3.7
120.08118	0.6
121.02930	0.5
121.06490	2.8
121.10201	0.6
123.04493	0.8
123.08070	3.9
123.08824	0.4
123.11756	0.6
125.06013	0.4
125.07989	0.4
128.98671	0.4
129.07037	0.8
129.10297	0.5
130.06534	12.9
130.08679	0.4
131.04999	0.4
131.08618	0.7
132.04454	6.7
132.05383	0.4
133.06528	2.4
133.10127	6.5
134.99690	0.4
135.08119	1.1
136.07648	2.2
136.08896	0.7
137.05971	2.1
137.09691	1.3
138.10468	1.1
142.07863	1.1
143.08646	0.4
145.06607	0.5
146.02470	0.4
146.06084	1.9
146.07237	0.5
146.99701	0.8
147.04503	1.1
147.06398	1.0
147.08109	0.8
147.11693	2.5
148.03929	3.7
148.07640	1.0
149.09631	0.5
151.07619	0.5
153.09172	0.8
155.04738	0.4
156.07834	0.3
157.07607	5.1
157.10249	1.4
158.06007	12.3
159.11760	0.7
160.08926	1.2
161.06084	1.4
161.09613	6.1
162.05548	0.4
165.05583	0.8
165.06902	0.4
165.09198	0.4
175.08704	17.1
175.11107	6.6
175.14870	0.7
176.07092	1.8
177.12859	0.4
179.10831	1.0
185.09978	0.8
186.05721	0.4
188.08411	0.6
191.04065	0.4
193.09790	0.5
193.16049	0.7
197.01335	0.4
203.08424	2.4
203.10690	4.4
205.15105	0.4
206.16425	1.4
215.02390	0.4
221.09412	4.5
221.13016	28.7
221.18591	0.8
222.04121	0.5
222.13321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03937	4.6
55.01863	5.4
55.05509	11.7
58.06590	5.1
59.04993	3.2
65.03905	2.6
67.05492	13.8
69.03425	24.9
69.07054	7.1
69.74010	7.7
69.74421	5.2
71.75017	2.7
72.04518	2.7
79.05484	16.1
81.07056	18.1
83.04978	56.5
85.02884	4.1
85.06532	3.6
86.95298	2.2
91.05484	33.3
92.72725	2.3
93.07038	36.7
95.01326	27.9
95.04970	21.7
95.08630	4.7
96.08164	2.0
97.02885	3.0
97.06533	3.9
103.05372	3.9
105.03382	8.3
105.07031	52.0
107.04950	9.0
107.08596	22.0
109.02901	2.4
109.06549	18.7
109.10146	7.8
111.04456	10.2
111.08087	3.4
113.05990	9.6
115.05437	3.6
117.07023	10.3
119.04945	12.4
119.08586	35.4
121.06490	17.7
121.10152	6.1
122.07253	2.6
123.04420	2.8
123.08065	45.5
128.06180	4.0
129.06973	5.4
131.08580	13.1
133.06508	18.7
133.09116	4.4
133.10123	78.8
135.08028	9.4
135.11699	3.5
136.08868	10.6
137.05960	25.8
137.09550	10.7
138.10370	14.0
142.07790	14.5
142.22455	2.3
143.08545	5.9
144.09259	3.3
145.02838	3.9
145.06454	6.3
145.10132	3.5
146.07292	5.0
147.04431	16.7
147.08015	8.2
147.11690	35.0
151.07536	2.8
151.11159	2.0
153.09073	2.5
157.10127	24.5
159.08034	3.6
159.11697	10.2
160.08849	15.2
161.05992	15.9
161.09615	84.5
161.10954	4.4
162.09975	3.1
163.07584	3.2
164.87250	2.1
165.05508	13.2
166.70419	2.1
174.06702	2.2
175.07652	4.4
175.11180	97.8
177.05482	9.3
177.12727	4.0
179.06960	3.7
179.10626	11.2
185.09543	3.8
188.08315	9.6
188.68961	2.2
193.12253	4.7
203.10666	55.3
221.11707	100.0
221.16382	4.8
222.11296	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.9
56.96565	6.7
57.03434	0.7
58.06602	1.5
60.04519	0.6
65.81720	0.7
67.05499	0.9
69.03432	1.6
70.06595	2.2
70.70927	1.4
70.71288	0.9
72.08150	1.9
73.02905	0.6
73.60179	0.5
74.02441	1.5
75.27704	0.5
79.05458	0.6
82.02932	2.5
84.08152	2.8
84.87208	0.5
85.02908	1.5
86.09704	0.7
93.07076	0.6
94.06565	4.4
97.02882	0.9
98.97584	5.7
104.04988	0.9
109.10188	0.6
110.07178	1.2
115.05478	1.0
116.98611	2.7
119.01879	0.5
120.08144	1.9
121.06477	0.7
123.08093	0.6
130.06526	75.2
131.06889	1.7
132.04449	47.6
133.10144	0.7
134.06004	0.7
134.99626	1.3
140.04805	0.6
147.09161	0.9
147.11665	0.7
148.07571	3.1
156.06761	0.6
157.07611	29.6
158.06010	90.4
159.06366	1.7
161.05920	0.6
162.05550	0.8
175.08669	100.0
176.07068	2.7
176.09035	1.3
179.02202	0.6
185.07048	0.6
186.05524	2.7
203.08147	4.2
204.06543	4.2
217.00183	0.6
221.09218	19.5
221.11426	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
51.36140	0.4
54.79943	0.4
56.96554	0.6
58.06601	8.0
59.55101	0.4
67.05505	0.5
70.06583	0.7
70.92159	1.2
72.08141	0.6
72.25716	0.5
74.02448	1.1
76.60876	0.4
77.99364	0.4
77.99821	0.4
82.02949	1.9
83.05000	0.7
84.08148	0.6
91.05467	0.8
93.07074	0.5
94.06573	3.8
98.71936	0.4
104.05009	0.7
105.07058	0.5
107.04942	0.6
115.05463	1.1
119.08546	0.5
120.08103	1.3
120.12463	0.4
130.06531	65.8
131.06871	0.8
132.04454	41.2
133.10077	0.8
147.09151	0.8
147.11674	0.5
148.07564	3.1
148.39426	0.4
156.06726	0.5
157.07617	33.4
158.06017	79.6
159.06378	1.3
161.09595	0.6
175.08675	100.0
176.07050	2.3
176.08998	1.8
185.07135	1.0
186.05467	2.6
203.08156	13.1
204.06549	3.8
221.09235	18.9
221.12802	1.9
221.14856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
58.06570	1.5
61.58902	0.4
67.05493	0.7
67.50908	0.4
69.03387	0.8
69.07057	0.4
70.06586	0.4
70.65501	0.9
70.65877	0.9
77.63058	0.4
79.05495	0.4
79.78478	0.4
81.07014	0.6
82.02917	1.3
83.04961	1.8
83.08635	0.4
91.05464	1.0
93.07018	0.6
94.06562	3.2
95.04953	0.6
104.04984	0.6
105.07003	1.7
106.06567	0.8
107.08592	0.5
115.05424	1.0
119.04934	0.5
119.08562	1.0
120.08088	1.3
123.08058	1.9
130.06520	43.6
131.06822	1.0
132.04446	28.5
132.08102	1.1
133.04784	0.4
133.06458	0.6
133.10095	2.0
134.06029	4.7
137.06000	0.8
144.05504	0.5
146.06017	1.2
147.06378	2.3
147.09166	0.9
147.11725	1.1
148.07594	3.5
157.07613	17.8
157.08908	1.0
158.06009	66.4
159.06421	1.4
160.07607	3.4
160.62387	0.4
161.05928	1.1
161.09590	2.5
162.05504	11.0
175.08667	100.0
175.11180	2.6
176.07088	2.6
176.08977	1.5
186.05498	5.0
203.08176	1.0
203.10692	1.4
204.06560	18.8
221.09236	22.8
221.11711	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	221.092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.5
55.05504	0.8
57.07060	0.4
58.06599	3.2
67.05495	1.0
69.03422	1.1
69.07052	0.9
70.40691	1.6
72.04511	0.8
79.05474	1.1
81.07036	1.7
82.02942	1.0
83.04965	2.9
85.25362	0.4
90.05564	5.0
91.05387	1.0
91.05947	2.6
93.07043	1.6
94.06575	3.0
95.01318	1.5
95.04948	1.3
98.02397	0.5
103.05457	0.8
105.07028	3.4
106.06522	0.8
107.04916	0.5
107.08591	1.4
109.06480	1.3
109.10133	0.8
110.07149	0.4
111.04446	0.8
111.08076	0.8
113.05955	1.1
115.05442	1.4
116.03448	0.7
116.07088	0.5
118.06525	0.4
119.04940	0.8
119.08590	2.6
120.08113	0.9
121.06496	1.0
121.10149	0.6
123.08086	3.4
125.07912	1.2
130.06525	42.8
131.06841	1.1
131.08519	0.9
132.04454	28.0
132.08131	0.7
133.05138	0.5
133.06454	1.4
133.10123	4.4
134.06009	4.7
135.08069	0.8
136.08835	0.5
137.05971	1.4
137.09581	0.6
138.10458	0.6
142.07719	0.5
145.06511	0.6
146.06003	1.5
147.04419	1.1
147.06355	2.3
147.08081	0.5
147.09128	1.0
147.11627	2.1
148.07588	3.6
157.06364	1.0
157.07625	16.9
157.10100	1.3
158.06010	61.6
159.06502	1.5
160.07559	2.3
160.08792	0.9
161.06001	0.5
161.09610	5.0
162.05510	12.4
165.05534	0.7
175.08672	100.0
175.11174	5.8
176.07033	2.3
176.09088	2.1
179.10678	1.0
184.14014	0.5
185.09975	1.3
186.05508	5.6
188.08324	0.7
193.12138	0.4
193.15860	0.5
201.32312	0.5
203.08318	1.1
203.10875	4.6
204.06552	16.8
205.06691	0.5
221.09225	22.8
221.11829	7.2
221.15279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0807
Annotation	Polygonolide
Peak:m/z	Relative Intensity
53.03929	0.8
55.05505	1.5
57.15856	0.7
63.42143	0.7
66.04716	0.9
67.05497	1.9
69.03412	0.9
69.07048	2.6
70.65192	1.8
78.04700	3.1
79.05499	5.0
79.31372	0.6
81.07065	7.2
83.04942	0.8
83.08615	1.1
85.06539	1.0
91.05470	8.8
93.07054	4.5
95.04944	1.2
95.08596	5.7
95.57991	0.7
97.06521	0.9
102.04684	5.3
103.05475	4.5
104.06249	5.4
105.03390	1.5
105.07036	6.6
107.04955	5.8
107.08593	6.1
109.06506	1.9
109.10136	3.0
111.08109	0.9
111.11713	0.9
115.05478	1.7
116.06250	1.0
117.03378	1.1
118.04163	2.3
119.04935	9.0
119.08562	5.1
121.02834	0.8
121.06507	1.7
121.10138	2.6
122.07297	1.1
123.08056	1.3
123.11648	1.1
130.04143	6.7
131.04935	11.8
132.02055	1.3
132.04745	1.1
132.05704	14.6
133.02850	2.5
133.06520	4.0
133.10114	3.5
133.59274	0.7
134.03592	1.4
135.04417	12.0
135.08020	0.9
135.11702	4.5
143.04907	0.8
145.02811	2.6
146.03638	1.6
147.04411	21.3
147.11655	2.6
148.05174	4.1
149.05994	4.4
149.13258	1.0
150.06717	2.3
151.11179	0.8
157.10077	0.9
158.03613	1.3
159.04395	2.9
160.05199	13.6
161.02350	1.5
161.05984	6.6
161.13272	2.4
162.06766	15.0
163.03902	30.8
163.07498	2.8
165.09081	1.2
173.02353	1.9
174.03151	2.0
175.03917	10.8
176.04681	3.6
177.05467	9.0
177.16243	0.9
178.04778	1.4
178.06253	17.3
187.03856	2.5
188.04689	16.0
189.05460	3.7
190.06244	46.4
191.03395	19.3
191.06918	3.6
193.08598	28.9
203.10651	1.2
203.18016	3.4
205.04968	1.3
206.05746	43.5
207.05988	1.7
221.08086	100.0
221.15337	1.8
221.19026	4.7
222.08405	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	220.1694
Annotation	Fabianine
Peak:m/z	Relative Intensity
57.07076	0.2
59.40977	0.2
69.46136	0.8
69.46559	0.6
69.90490	0.2
80.05820	0.3
81.51528	0.2
91.05443	0.3
93.07033	0.3
95.04971	0.2
96.28048	0.2
105.07034	0.4
107.08569	0.2
113.15681	0.2
118.06535	10.6
119.07363	0.2
119.08561	0.2
120.08144	0.3
120.08899	0.2
121.10165	0.2
127.39960	0.2
131.37169	0.2
132.08078	2.6
133.08878	1.0
133.95284	0.2
134.09618	0.8
144.08047	0.2
145.10103	0.2
146.09622	3.0
146.10638	0.4
147.10437	0.2
147.11710	0.2
147.83063	0.2
160.11073	0.4
162.09125	5.8
164.04227	0.2
172.11311	0.2
176.10742	3.5
176.14334	27.3
177.11475	1.2
177.14731	0.5
190.06212	0.3
190.12236	3.2
192.03624	0.2
193.08638	0.2
202.15953	0.7
205.15881	0.5
220.16946	100.0
221.08083	0.6
221.17264	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	220.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12135	0.6
55.01869	1.2
55.05503	1.0
57.07075	6.7
58.06606	0.8
59.05003	4.4
67.05509	5.7
69.07071	5.0
70.02961	8.1
70.40488	2.0
72.04517	16.5
73.02919	3.7
74.02431	0.9
79.05509	1.0
81.07062	0.7
83.04981	1.8
84.08131	0.7
85.06544	11.3
86.09698	1.7
87.08131	1.7
90.05557	100.0
94.06564	1.4
95.04969	7.7
96.08143	3.0
98.02420	14.7
100.03960	2.9
103.07584	8.0
105.07027	0.7
113.06005	3.4
116.03451	14.6
118.06585	0.9
119.08558	0.9
120.08113	0.7
123.08033	0.7
124.07593	19.1
128.04947	0.7
130.06520	11.2
131.06087	0.8
131.07059	1.4
132.04449	8.1
133.10135	1.0
134.06038	1.3
138.09026	0.6
142.08643	7.8
146.06013	27.8
147.06369	1.9
147.09148	0.7
156.10234	1.0
157.07614	5.0
158.06023	15.5
160.07597	1.2
160.09666	2.3
161.09598	0.8
162.05508	2.7
166.08641	2.5
174.07513	2.1
174.11276	1.8
175.08684	22.6
175.11040	1.1
176.06981	0.9
184.09694	20.3
186.05408	1.0
202.04858	0.8
202.10756	27.2
204.06601	4.6
204.14697	1.2
205.15857	2.9
220.06160	0.8
220.08162	1.5
220.11797	28.6
220.17757	4.1
221.09189	5.3
221.11530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
52.08675	0.5
54.51157	0.6
55.01873	1.3
55.05513	0.9
57.07074	6.3
58.06584	0.9
59.05002	4.0
67.05503	5.2
69.03417	0.8
69.07060	4.9
70.02949	6.2
70.92293	1.6
72.04517	15.0
72.08155	0.5
73.02921	3.4
74.02437	1.4
81.07053	0.7
82.83659	0.6
83.04983	1.6
84.08134	1.2
85.06541	10.6
86.09690	1.5
87.08099	2.2
88.15094	0.5
90.05556	100.0
93.06997	0.6
95.04964	6.3
96.08131	1.9
98.02412	13.4
100.03964	2.4
103.07586	7.8
105.07009	1.2
113.06004	3.8
115.14174	0.5
116.03453	14.6
119.08613	0.8
124.07588	16.8
131.07054	1.2
133.10124	0.8
142.08632	7.0
145.10175	0.5
146.02390	0.8
152.29025	0.5
156.10181	1.2
158.11766	2.6
160.09692	2.1
161.06029	0.8
161.09601	1.4
166.08662	2.5
174.11301	2.7
175.11168	1.4
184.09695	19.3
192.02968	3.4
202.10742	27.9
203.10985	0.6
204.14627	1.2
205.15857	3.0
220.02316	3.3
220.09903	1.2
220.11783	30.9
220.17844	4.5
221.11885	1.1
244.34575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0968
Annotation	Trolline
Peak:m/z	Relative Intensity
52.70031	0.2
55.05486	0.5
57.03405	0.4
57.07042	0.4
67.05486	0.5
69.03393	0.6
69.07054	0.2
70.06567	0.4
70.92272	0.4
72.08125	0.5
78.43815	0.2
79.05445	0.8
81.07050	1.7
83.04970	1.5
84.08112	0.3
86.00620	0.3
87.02650	0.3
87.16474	0.2
90.05538	0.5
91.05465	1.4
93.06998	0.9
95.01306	0.6
95.04939	0.7
97.02835	0.3
101.63725	0.2
102.50085	0.2
103.05394	0.3
105.07023	1.5
107.04944	0.5
107.08557	0.3
109.06488	0.3
111.04411	0.3
115.05419	0.3
117.07001	0.4
118.06524	0.3
118.07300	0.3
119.04884	0.7
119.08601	1.1
119.47048	0.2
120.04427	0.3
120.08076	0.3
120.75654	0.2
121.06481	0.5
121.10156	0.3
123.08039	1.0
129.06963	0.4
131.04863	0.2
132.01158	0.3
132.04401	0.3
132.05272	0.3
133.05193	0.5
133.06490	0.5
133.10109	1.9
134.05994	0.4
135.08031	0.4
135.11662	0.3
136.06172	1.9
136.07573	0.3
136.08760	0.3
137.05963	0.7
137.09615	0.4
138.10336	0.4
142.07761	0.6
145.06436	0.5
145.10100	0.5
146.05943	1.9
146.06850	0.4
146.09628	1.1
147.04388	0.7
147.11728	1.1
157.10100	0.9
158.06050	0.3
159.06770	1.1
160.07556	1.1
160.08713	0.3
161.04701	0.6
161.05925	0.6
161.09583	1.8
162.05492	0.5
165.05411	0.4
174.05440	6.3
174.09094	1.4
175.06267	1.5
175.11168	2.3
176.07115	1.3
177.12704	0.3
178.04953	2.4
184.07591	0.4
186.05534	0.4
200.07045	0.5
201.07764	0.4
202.08621	100.0
203.08960	3.0
203.10686	1.2
204.14674	0.7
205.15877	2.0
220.09683	63.6
220.17838	3.5
221.10011	1.6
221.11778	1.8
230.59708	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0969
Annotation	Aniracetam
Peak:m/z	Relative Intensity
51.38036	0.4
53.03950	0.4
54.50990	0.5
55.05508	1.2
59.04996	1.4
67.05508	1.0
69.07070	1.2
69.76581	2.5
72.00882	35.9
72.93793	0.6
77.03925	0.8
79.05492	1.9
81.07067	0.8
90.01911	2.0
90.05515	0.5
91.05482	4.6
93.07039	0.7
94.06538	0.4
95.04975	1.3
96.09007	0.5
98.20839	0.7
103.05467	0.6
104.84481	0.4
105.07048	3.9
106.06583	2.1
106.07201	0.5
107.04958	17.9
107.08553	0.5
113.96399	0.9
115.05431	0.7
117.07026	1.2
118.01504	0.4
118.06537	0.8
119.04922	0.4
119.08594	2.6
121.02887	0.7
121.06513	1.5
121.10171	0.5
122.76007	0.4
123.11706	1.0
129.06999	0.7
131.04955	1.1
133.02863	6.7
133.06506	8.5
133.10136	0.4
134.03697	0.5
134.06001	4.7
135.04434	4.4
140.74831	0.5
144.05649	0.7
145.05235	0.8
145.06448	0.9
147.04387	0.7
147.08037	2.1
148.03966	0.6
149.09624	16.2
151.03897	4.6
154.89452	0.4
157.06546	0.5
159.06831	0.8
159.08099	1.5
160.03955	0.5
160.07613	1.4
161.04739	1.4
162.05507	8.3
162.13733	0.6
164.03430	0.5
165.09125	0.4
170.06052	1.4
174.09175	1.0
175.07550	100.0
176.07858	2.4
177.12712	0.7
178.05019	7.0
178.31075	0.5
179.05324	0.5
184.07584	5.0
185.08318	2.6
188.06992	2.1
192.06599	0.8
192.10216	1.9
202.08641	9.3
202.10457	0.4
202.16878	0.5
203.09386	5.8
204.14691	2.1
205.15872	4.9
220.09695	57.5
220.17810	7.3
221.10103	2.0
241.05182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
52.49976	0.9
53.05022	0.9
55.05502	3.8
57.07071	0.9
67.05498	8.1
69.03435	4.9
69.07053	4.7
70.14075	5.0
71.04984	1.9
79.05489	6.6
81.07061	20.1
83.05035	1.3
85.06548	1.0
91.05474	4.9
93.07041	14.9
95.08607	17.1
97.06530	5.6
97.10157	1.7
98.21501	1.0
105.07037	17.7
107.08599	16.8
109.06506	3.3
109.10154	14.7
111.08065	4.0
117.07018	3.5
119.08576	16.7
121.06479	2.1
121.10143	9.2
123.08066	4.7
123.11673	1.5
125.09679	2.3
131.08575	10.1
133.10130	9.4
135.08046	2.7
135.11684	14.9
137.09637	1.7
143.08510	1.0
144.09302	1.3
145.10121	33.5
147.08112	1.3
147.11691	6.6
149.09581	2.3
149.13251	3.2
150.10405	1.4
151.11224	1.0
159.11697	16.1
161.13252	12.5
163.11218	2.6
173.13312	7.0
175.14836	4.2
177.12735	1.0
191.17941	3.1
201.16382	38.4
202.16640	1.3
203.14319	7.7
205.82805	1.0
219.06575	1.8
219.17444	100.0
220.17807	3.2
222.31126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03935	2.1
53.31763	0.9
55.05512	9.3
57.07062	1.7
57.73225	0.9
64.57487	0.8
65.03883	0.9
67.05508	13.7
69.03423	2.9
69.07074	10.9
69.37862	1.9
69.38276	6.6
71.04983	6.6
72.08186	0.9
79.05067	1.1
79.05495	11.8
81.07059	42.9
83.04984	4.2
83.08611	3.2
85.06537	2.8
91.05484	12.6
93.06490	1.6
93.07047	22.5
93.33914	0.8
95.04973	5.5
95.08609	30.6
97.06541	8.0
97.10147	2.5
98.21514	2.0
103.05486	1.5
105.07036	28.2
106.07360	1.0
107.04917	0.8
107.08598	23.8
108.69384	0.8
109.06532	7.1
109.10155	20.1
111.08103	5.6
115.05415	2.5
117.07040	6.5
119.08592	26.4
121.02896	1.0
121.06506	3.0
121.10146	21.8
123.08076	8.1
123.11722	5.5
125.09605	4.2
128.06223	1.3
129.07001	4.5
130.07773	2.0
131.04832	1.1
131.08571	15.7
133.10130	14.6
135.08080	4.3
135.11710	9.8
137.09605	3.9
141.07014	2.6
143.08568	2.5
144.05676	0.9
144.09372	2.0
145.06482	2.9
145.10130	28.7
146.10883	1.1
147.04353	1.5
147.08075	1.0
147.11700	8.5
149.09599	3.8
149.13234	6.1
151.03880	1.1
151.11154	2.6
155.08412	1.1
157.06465	1.4
157.10104	1.2
158.07259	1.4
159.08037	3.4
159.11699	23.5
161.09621	2.1
161.12001	1.4
161.13269	20.1
162.13513	1.2
163.07568	1.2
163.11195	10.9
163.14821	1.1
173.05888	2.0
173.13292	7.5
174.06839	5.3
175.14830	7.7
176.14307	1.4
177.05455	1.7
177.12766	2.4
177.16371	2.2
186.06819	2.0
189.09119	6.5
191.07085	1.2
191.14178	1.3
191.17967	2.4
201.05487	2.1
201.09111	3.2
201.16380	34.4
203.14307	12.3
204.95932	0.8
208.25693	1.0
219.06525	4.4
219.10092	5.8
219.13858	3.7
219.17444	100.0
220.16978	5.5
227.08162	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
55.05512	5.9
55.48590	1.0
57.07060	2.0
63.22894	0.9
65.03941	1.0
67.05513	7.6
67.66936	1.0
69.03421	1.3
69.07076	5.0
70.31565	2.8
70.31925	2.0
71.04993	20.1
79.05500	7.5
81.07053	15.1
83.04978	2.4
83.08591	1.5
85.06531	1.8
86.18968	1.0
91.05482	26.3
93.06483	1.9
93.07042	27.0
95.04978	1.3
95.08611	17.7
97.06513	3.4
99.08086	2.6
105.07031	88.4
106.07372	1.5
107.08592	14.6
107.30028	1.1
109.06509	2.7
109.10149	10.0
111.08109	1.4
113.09634	1.8
115.05418	1.7
117.07015	9.3
119.08580	22.7
121.06524	2.0
121.10131	10.7
123.08053	3.5
123.11633	1.5
125.09652	9.7
127.11160	1.2
129.07036	2.5
130.07716	1.1
131.08569	19.1
133.10130	100.0
134.10493	2.3
135.11696	7.3
137.09630	2.8
139.11217	1.2
141.06963	1.5
144.09351	1.1
145.10127	16.3
147.11662	8.0
149.09596	1.5
149.13239	3.1
156.53586	1.1
159.11697	14.4
161.13268	8.5
163.11240	2.6
173.13269	13.3
174.06779	2.8
175.14838	3.1
177.09024	1.2
177.12665	1.6
177.16388	1.7
189.09099	3.2
191.14359	3.0
191.17995	1.8
201.09036	1.2
201.16399	21.4
203.14293	4.5
219.10188	4.5
219.17444	63.6
220.17700	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	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03938	1.4
55.01864	0.8
55.05509	6.4
57.07062	2.6
59.05006	1.3
65.03941	0.9
67.05504	14.6
69.03417	3.0
69.07072	8.2
70.03645	1.1
70.03928	3.9
71.04663	0.9
71.05003	11.8
79.05077	1.2
79.05496	9.7
81.06593	1.7
81.07055	29.8
83.04964	1.3
83.08604	3.4
85.06528	2.0
89.77769	0.9
91.05481	13.9
93.07044	21.6
95.04962	3.9
95.08606	24.2
97.06526	5.7
97.10146	1.5
98.20875	1.3
103.05454	1.5
105.03395	1.4
105.07032	31.6
107.08591	22.5
109.06520	7.3
109.10152	13.4
111.08072	3.6
113.09658	1.0
115.05451	2.5
116.06210	1.5
117.07003	7.3
119.08583	30.8
121.06485	3.0
121.10141	18.2
123.08070	7.3
123.11692	4.3
125.09621	4.1
127.11318	0.9
128.06230	1.8
129.06340	0.7
129.07033	7.6
130.07771	1.8
131.04927	1.5
131.08577	18.4
133.06430	1.1
133.10129	31.5
135.08070	4.7
135.11717	9.4
137.09598	4.0
141.06999	5.2
142.52594	0.8
143.08556	3.1
144.05647	1.9
144.09309	1.1
145.06479	2.4
145.10117	22.7
147.08041	1.0
147.11694	9.5
149.09613	3.1
149.13293	3.9
151.11194	2.1
157.06514	4.0
157.10103	1.7
158.07243	3.1
159.04408	1.3
159.08064	5.9
159.11693	20.8
161.09564	2.2
161.13246	16.0
163.07558	1.6
163.11197	7.0
163.14828	1.3
168.05739	0.8
169.06436	1.6
173.06013	1.6
173.09628	1.8
173.13266	8.6
174.06784	10.2
175.07510	1.5
175.14830	5.9
176.04730	1.4
177.05508	2.5
177.12709	2.7
177.16393	1.5
186.06815	1.7
187.07523	1.9
189.09114	11.1
191.14238	1.9
191.17960	2.5
201.05524	1.9
201.09096	5.8
201.12747	1.0
201.16393	23.7
201.18269	1.5
202.16649	0.8
203.14311	13.0
204.04259	1.0
205.15788	1.0
215.23000	0.8
219.02812	2.0
219.06642	9.5
219.10126	16.0
219.13860	4.5
219.17441	100.0
220.17799	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	219.134
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.05509	1.6
56.96566	1.3
60.04526	100.0
67.05509	1.1
69.03436	0.6
69.07068	1.9
70.02977	0.6
70.06594	2.0
71.01369	0.7
71.26685	1.2
72.04564	0.5
72.08147	1.5
73.96642	0.4
75.79879	0.5
79.05505	1.3
81.07053	2.0
81.96609	0.4
83.04988	0.5
84.04513	0.6
84.08153	1.3
85.02910	1.1
86.09707	69.0
87.05593	3.4
87.10051	1.0
90.05550	1.9
91.05505	1.4
93.07062	1.2
95.04993	0.5
95.08571	0.6
98.97591	1.7
105.07026	1.4
107.08611	1.3
116.98649	1.2
119.04973	0.9
119.08574	2.4
120.08093	1.2
121.06465	0.8
121.10159	3.2
128.10713	2.8
128.98764	0.5
131.05019	0.5
131.06050	0.5
132.10204	51.3
133.10091	2.6
134.05971	0.6
135.11688	0.7
145.06490	1.4
145.10158	1.0
146.06013	2.5
147.11604	0.8
149.09669	0.7
158.11807	1.1
159.02965	0.6
159.11726	0.8
160.07518	0.8
161.09619	0.5
161.13257	1.5
170.10928	0.7
172.09729	0.7
173.05956	0.7
173.12860	28.0
175.14896	0.7
184.09731	0.7
187.11098	0.7
201.12349	4.9
202.10713	0.7
203.14330	11.6
219.07904	0.7
219.13464	9.4
219.17439	39.5
220.13582	0.7
220.17853	0.6
237.02943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Bitalin A
Peak:m/z	Relative Intensity
53.03920	1.8
55.01859	4.0
55.05501	3.0
57.03406	1.6
57.07054	1.0
63.02362	1.2
67.05504	4.9
69.07051	4.1
69.07397	1.2
70.18483	3.2
71.04971	3.1
72.08135	1.3
76.29967	1.1
79.05500	6.3
81.07063	12.4
83.04984	1.2
85.02888	1.6
85.06532	1.2
91.04984	1.3
91.05485	19.0
93.07043	11.1
95.04960	1.8
95.08604	9.4
97.06493	2.6
98.21472	1.2
103.05447	3.5
105.06400	1.6
105.07035	18.9
107.04972	1.3
107.08588	8.6
107.52779	0.9
109.06502	3.1
109.10159	5.9
111.08087	1.3
115.05456	14.2
116.06194	4.1
117.06995	6.9
117.07989	0.9
119.04962	6.0
119.08559	13.6
120.08087	2.1
121.02869	1.1
121.06458	3.1
121.10136	11.2
123.08050	2.0
123.11685	3.6
125.09642	1.3
128.06239	10.0
129.07008	35.3
130.07747	4.2
131.04924	9.5
131.08569	45.1
132.05734	1.5
133.06480	3.1
133.10135	15.2
135.08017	2.5
135.11726	4.9
137.05946	4.2
137.70898	1.1
141.06990	29.1
143.04904	2.8
143.08530	3.9
144.05693	6.1
144.09334	1.3
145.05339	1.5
145.06483	11.2
145.10126	13.0
146.06046	2.0
146.07243	5.6
147.04379	4.3
147.07973	2.1
147.11636	4.9
148.05237	1.9
149.05945	2.7
149.09628	1.8
151.03873	2.9
153.06967	1.1
155.05995	1.6
155.08603	1.1
157.06483	20.4
158.07278	19.8
159.04385	3.1
159.08054	25.9
159.11717	11.4
160.05234	6.1
160.08699	1.1
161.05966	1.8
161.09581	5.4
161.13275	10.8
163.07526	2.6
163.11218	1.7
165.05516	2.3
168.05739	1.8
169.06491	15.9
170.07274	6.5
171.07967	1.6
173.05974	8.8
173.09596	4.4
173.13290	3.1
174.06770	71.9
175.07526	13.3
175.11139	1.2
175.14804	2.8
177.05481	33.8
179.83955	1.2
183.08064	1.2
186.06761	16.7
187.07452	2.8
188.08315	3.3
189.09102	92.9
190.09605	2.4
191.06999	3.2
191.10654	8.6
191.14322	1.6
191.17941	1.1
201.05490	4.9
201.09096	39.6
201.12810	2.5
201.16406	11.9
203.14284	18.1
204.07785	1.5
219.06741	20.9
219.10149	100.0
219.13765	6.4
219.17430	72.0
219.19667	1.7
219.20631	1.4
220.10463	1.8
224.96140	1.1
235.71918	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	6.7
58.06591	0.4
68.42621	0.3
70.06592	11.8
71.08631	4.2
71.18285	0.4
74.99739	0.3
84.91829	0.4
88.07632	18.4
88.36808	0.3
101.95251	0.4
102.09169	4.7
106.08668	8.8
138.57047	0.3
170.10715	0.3
174.18523	1.0
179.15465	0.3
196.65231	0.3
200.18376	0.6
200.20099	6.5
200.21967	0.3
218.21152	100.0
219.21545	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	218.1176
Annotation	Glutethimide
Peak:m/z	Relative Intensity
53.03949	0.8
54.50111	0.6
55.01865	1.0
55.05502	2.8
56.05041	0.7
56.05828	1.1
59.04981	0.7
65.03935	0.8
67.05515	3.3
69.03421	1.0
69.07074	7.3
70.06590	0.9
70.97740	1.1
74.06092	1.3
79.05477	2.4
81.07082	1.4
83.04974	3.3
84.05301	2.2
84.08180	0.8
86.06059	2.4
88.07599	1.0
91.05472	4.2
93.07038	1.5
95.04952	1.7
95.08599	1.5
96.08951	1.1
101.05997	0.8
102.06369	0.8
103.05451	1.7
105.07042	6.9
106.07352	1.3
106.72558	0.6
107.04958	3.8
107.08582	2.0
109.06493	1.0
109.10140	0.8
111.04442	2.2
112.04774	2.0
115.05459	5.1
117.05773	1.3
117.07039	7.2
118.06577	0.7
118.07345	0.7
119.04961	1.5
119.08579	3.5
120.05695	0.7
120.08916	2.3
121.06519	1.7
121.10144	1.5
128.06216	2.8
129.07031	4.4
130.06619	3.3
130.07747	1.9
131.04951	7.1
131.07503	0.9
131.08569	5.8
132.04468	2.5
132.05742	1.3
132.08067	2.4
132.08939	1.0
133.05225	2.3
133.06476	4.0
133.10117	2.0
134.06877	0.8
134.10460	1.3
135.08015	0.9
141.06999	4.8
142.07780	5.6
143.08553	3.5
144.05693	8.6
145.06490	100.0
145.10141	4.3
146.05968	10.6
146.06914	1.2
146.10519	0.7
147.08008	1.1
147.11693	1.1
149.04724	2.6
150.05507	3.9
152.06252	0.8
153.07001	1.8
155.06015	2.2
155.07233	1.1
155.08540	4.6
156.07362	5.5
157.06491	9.7
157.10123	3.3
158.06020	3.4
158.07283	7.8
158.10687	1.2
159.06786	7.7
159.08072	21.1
159.11719	1.6
160.07579	9.7
160.08850	23.2
160.12079	1.5
161.09549	2.3
161.13264	0.8
161.27029	0.8
162.05519	13.3
165.07025	1.7
167.08609	2.7
168.05734	0.8
168.08017	1.2
169.06482	7.1
169.07690	1.0
170.05974	1.2
170.07248	5.5
171.06715	1.3
171.08069	10.5
172.07550	1.5
172.08823	2.4
172.11139	1.2
173.08258	1.1
173.09619	10.6
174.06920	0.8
174.08478	2.9
174.10349	1.6
174.13509	0.7
175.11217	0.8
176.07097	4.2
182.09657	0.6
183.08105	2.0
184.07605	2.4
184.08888	2.0
184.11229	1.5
185.08325	1.2
185.09666	13.6
186.09134	36.0
187.09509	0.8
189.09146	1.7
190.09462	2.2
198.09128	1.0
200.07242	0.8
200.10757	7.4
200.15189	1.4
201.11501	13.6
201.16415	1.3
203.14348	3.0
218.02148	2.6
218.04593	0.6
218.08830	1.4
218.11775	29.5
218.16237	6.6
218.21199	4.8
219.06519	1.6
219.10210	1.7
219.13930	0.9
219.17447	12.0
227.90248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1176
Annotation	Securinine
Peak:m/z	Relative Intensity
55.01883	0.6
55.05529	1.3
56.05052	0.4
56.05849	0.4
60.04535	0.4
62.06089	0.6
67.05524	0.5
69.07081	0.6
69.67077	0.6
69.67487	1.4
70.06609	1.2
72.08169	1.3
79.05503	1.3
80.78708	0.3
81.07066	0.8
83.04990	1.9
83.89604	0.3
84.05329	1.3
84.08173	0.4
85.02898	0.4
86.09729	0.4
88.85753	0.3
91.05509	1.1
98.21539	0.3
101.06030	0.8
102.06342	0.4
103.05493	0.7
105.07042	1.0
106.07404	0.6
107.05002	1.2
107.08614	0.4
108.05257	0.5
111.04474	1.1
112.04780	2.1
115.05431	0.4
117.07046	0.4
118.06567	0.8
119.08613	1.0
120.08122	1.0
121.06508	0.3
121.10205	0.3
129.07008	0.7
130.05756	0.5
130.06586	0.6
131.04950	0.6
131.07326	2.5
131.08553	0.6
132.04489	0.4
132.05713	0.6
132.08104	2.5
133.10147	0.3
144.08066	0.7
145.06500	1.2
146.06010	0.8
146.09607	2.5
147.04393	0.3
155.07002	0.7
156.07314	2.7
158.06026	0.9
158.07275	0.4
158.10489	0.6
159.04492	1.0
159.06796	13.3
159.07953	0.6
159.11717	0.4
160.07384	0.5
161.06096	0.4
162.06346	0.4
172.07561	0.8
172.11206	1.0
173.06070	0.7
173.08353	11.4
174.09160	46.8
175.09467	1.5
176.08130	0.4
176.09825	0.5
177.05418	0.5
180.03755	0.8
181.05000	0.8
184.07538	0.5
190.05756	0.5
200.10709	10.2
200.12630	0.5
200.15062	0.4
201.05481	0.4
201.09088	0.4
203.14352	0.7
218.11763	100.0
219.06598	0.7
219.10139	1.6
219.12099	2.2
219.17438	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	218.0812
Annotation	COTARNINE
Peak:m/z	Relative Intensity
55.05502	0.5
56.96549	0.1
65.35790	0.1
69.07105	0.1
69.84343	0.3
69.84756	0.6
70.06588	0.3
72.08155	0.2
83.04984	0.3
84.05325	0.4
86.09708	0.3
91.05467	0.2
111.04446	0.5
112.04775	0.5
112.08842	0.1
115.05428	0.2
118.06516	0.2
118.09203	0.1
128.12123	0.1
129.05496	0.2
130.05719	0.2
130.06572	0.3
131.04936	0.3
131.07335	1.1
132.05757	1.1
132.08087	0.7
144.08086	2.0
145.06491	0.5
145.08820	0.1
146.06000	0.1
146.09650	1.0
155.07054	0.3
156.07292	0.9
158.06020	0.9
159.06801	4.9
162.05479	0.2
166.04913	0.1
172.07561	1.7
172.09712	0.2
173.05948	0.5
173.08362	20.3
174.09219	3.0
176.06950	0.2
185.04698	0.4
200.07072	8.2
201.07494	0.1
205.07388	0.2
218.08121	100.0
219.08463	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.3
52.03160	0.3
53.00299	0.2
53.03950	0.4
55.05509	0.3
62.56730	0.2
68.02634	0.6
68.99748	0.3
74.01801	0.2
78.04713	11.8
79.01843	0.5
81.03382	0.3
81.07024	0.3
82.00565	0.6
84.05301	0.3
87.65523	0.3
88.03136	1.0
89.03903	0.6
92.02644	0.4
95.01324	1.3
95.08614	0.3
98.21525	0.5
105.03384	2.9
106.04176	7.6
106.07354	0.5
108.02116	0.3
112.04803	0.5
116.02598	4.2
118.04167	0.4
119.01258	0.2
120.02069	0.5
133.02831	0.7
134.03633	22.1
137.02312	0.4
139.00247	1.4
144.02075	2.3
145.02849	1.0
148.01543	0.6
149.02307	0.6
156.07355	1.0
157.01338	0.8
157.63455	0.3
160.12088	0.3
161.02336	3.3
162.03131	18.7
162.88905	0.2
172.01558	4.2
173.02344	11.4
174.08554	0.4
175.00488	0.3
176.04318	0.4
189.01877	1.3
190.02606	7.4
200.01076	0.7
204.00526	1.7
217.01335	0.5
218.02104	100.0
218.16286	0.6
218.21127	0.8
219.02435	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	217.1951
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
52.97224	0.9
53.03934	1.5
55.05511	15.2
59.05007	1.0
60.05640	1.2
60.85550	0.9
67.05504	15.4
68.05032	1.3
69.07069	19.6
70.01019	2.4
70.01437	3.2
75.46053	1.0
79.05494	6.7
80.09698	1.1
81.04536	2.9
81.07056	23.3
82.05331	1.2
83.04985	17.2
83.06062	1.1
83.08623	5.4
85.05154	1.3
85.06524	1.4
87.04464	1.6
89.02400	2.3
89.06009	2.4
91.05494	8.7
93.04524	1.2
93.07046	15.0
95.04861	1.2
95.06084	3.2
95.08610	58.5
97.07613	1.2
97.10155	1.2
99.04454	1.2
99.56266	1.0
101.06009	6.4
105.07034	30.4
107.06043	1.1
107.08593	25.6
108.05608	2.6
109.07660	1.4
109.10153	39.6
110.07156	4.4
111.04438	19.0
111.07971	2.0
113.06000	3.0
119.06098	1.5
119.08589	29.0
121.10142	26.0
122.07153	1.6
123.06647	1.2
123.11709	15.2
124.08739	1.6
127.07545	3.2
129.05507	7.2
129.06992	1.6
131.08615	1.7
133.05052	1.3
133.07596	3.0
133.10138	15.5
134.07127	6.1
135.06633	3.2
135.11685	7.1
136.07414	1.4
136.08687	2.1
137.08226	2.5
137.13220	1.1
145.10109	1.5
147.06631	1.3
147.11685	30.4
148.08716	2.1
149.08244	3.5
149.13242	3.0
151.09778	1.1
155.07034	24.7
158.07043	1.1
159.06639	1.7
159.11670	1.9
160.08662	1.1
161.08238	1.7
161.13263	44.3
162.13724	1.3
173.08109	15.8
175.03905	1.7
175.09766	7.7
175.14838	7.7
176.09335	6.6
176.10562	1.4
177.10066	3.6
189.16420	4.9
190.10933	1.7
199.09615	1.8
200.09265	2.1
201.11494	1.4
211.89058	1.1
217.10593	15.3
217.12158	10.7
217.16006	2.9
217.19514	100.0
218.10283	1.1
218.14095	3.7
218.19743	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	217.1587
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03930	2.3
55.05274	2.8
55.05516	38.5
56.96553	3.0
57.07066	2.1
59.04992	3.4
65.03931	1.8
67.05515	13.9
69.03094	2.1
69.03435	29.4
69.07064	9.9
69.37001	14.7
71.04983	6.3
71.34599	1.8
71.46910	1.4
72.89426	1.4
73.02897	2.0
73.51579	1.5
77.25105	1.4
78.06741	1.4
79.05484	9.7
81.07054	18.1
83.04497	2.7
83.04988	52.9
83.08609	5.9
85.06538	5.6
87.04467	4.6
89.02370	5.1
89.06039	10.5
91.05483	31.0
93.07049	23.7
95.04977	5.5
95.08603	20.0
97.06525	3.4
97.50208	1.7
99.04448	2.9
101.06015	21.0
101.59644	1.6
105.07034	61.3
107.04955	2.4
107.08588	28.7
109.06519	9.2
109.10181	8.3
111.04443	59.9
111.08080	3.2
113.05997	8.1
117.07027	10.2
119.04930	6.5
119.08593	37.3
121.06528	7.7
121.10128	13.5
123.08089	12.5
125.09583	1.9
126.09109	2.2
127.07565	8.3
127.09488	3.9
128.06213	7.9
129.05496	17.6
129.06964	11.5
130.07779	2.0
131.08575	21.9
133.06445	5.0
133.10135	39.6
135.08029	6.6
135.11722	2.4
137.09579	3.9
141.06935	2.6
142.07785	10.7
143.08565	23.6
144.09315	5.9
145.10149	20.2
146.07277	1.7
147.04391	6.8
147.06464	1.9
147.08022	6.6
147.11699	20.3
152.03003	1.7
155.07037	85.3
156.07280	1.7
156.09369	3.5
157.10141	30.6
159.08101	1.8
159.11707	47.9
160.08751	1.7
161.09636	16.5
161.13228	7.7
169.03560	3.4
169.10106	2.3
170.10919	2.0
171.11679	10.0
173.08104	48.2
173.13223	11.3
174.13896	1.5
175.03896	25.6
175.11209	13.2
175.14781	8.8
183.45752	1.6
184.12427	2.4
185.10109	2.7
187.14769	6.1
189.05443	3.3
189.12703	2.6
189.16359	14.3
190.07579	1.7
199.09700	5.4
199.11572	5.2
199.14841	37.0
217.05035	7.7
217.08594	16.6
217.10696	44.7
217.12524	5.8
217.15881	100.0
217.19418	5.0
218.16310	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	217.1549
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
53.03957	0.4
55.01879	0.4
55.05515	14.2
56.05031	0.6
56.05870	0.2
56.96569	3.5
57.03440	0.4
57.05828	0.7
57.93945	0.2
59.05005	0.8
60.04532	0.7
60.05661	0.3
65.03944	0.2
66.49515	0.2
67.05505	0.7
67.92654	0.2
69.03438	1.0
69.07084	0.5
70.06596	2.3
70.75710	0.2
70.76050	0.5
70.98126	1.4
71.04999	0.3
71.95246	0.2
72.08159	100.0
73.02922	0.9
73.06586	0.2
73.08501	0.5
74.06078	0.3
74.97633	0.2
75.54218	0.2
76.03991	0.2
78.12949	0.2
78.14582	0.2
81.03393	0.2
81.07082	0.3
82.06589	0.3
83.04984	8.0
83.06091	0.3
83.08640	0.4
84.04527	0.5
84.05336	0.2
84.08149	2.6
84.96025	0.3
85.02919	0.9
85.06542	0.7
86.09707	0.9
87.04463	0.9
88.03963	0.2
88.99172	0.9
89.02398	0.7
89.06035	1.4
91.05496	0.3
95.04987	0.5
97.02907	0.9
97.06551	0.4
98.97595	2.9
99.04453	0.7
101.06019	2.8
105.07002	0.2
107.00195	0.6
110.06020	0.2
110.97575	0.3
111.04447	9.9
112.04816	0.2
113.06003	1.0
116.07121	0.7
116.98627	2.6
118.08654	2.9
119.01916	0.4
121.02892	0.2
126.09232	0.2
127.07556	1.5
128.98659	0.3
129.05482	2.6
129.06987	0.2
129.10258	1.0
130.08649	0.7
131.00154	0.2
134.99672	1.0
137.05971	0.5
143.00160	0.3
144.08095	0.3
145.03424	0.2
145.07545	0.2
146.99654	0.3
155.07034	13.0
156.07430	0.2
158.99677	0.5
161.01154	0.3
168.03485	0.2
171.05553	0.2
171.14917	1.0
173.02884	0.2
173.08110	7.6
174.05544	0.4
174.08490	0.2
174.99130	0.2
175.04039	0.2
177.00719	0.8
181.06844	0.2
189.00728	0.3
193.00208	1.0
199.08018	0.3
199.09688	1.0
199.11400	0.4
200.07268	0.4
203.02321	0.2
205.05368	0.2
211.01308	0.4
217.06383	0.3
217.10706	6.3
217.12462	0.4
217.15440	2.8
218.08321	0.3
219.01726	0.2
235.01114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0857
Annotation	10,11-Dihydroanhydrobarakol
Peak:m/z	Relative Intensity
51.02436	0.1
53.03949	0.2
54.41030	0.1
55.01868	0.6
55.05513	2.1
63.05057	0.1
65.03938	0.4
67.88466	0.1
68.99771	0.4
71.52184	0.1
71.52575	0.2
77.03939	0.2
79.05513	0.8
83.04975	0.9
89.06043	0.3
89.24482	0.1
91.05479	9.7
92.05822	0.3
95.01298	0.3
95.04963	0.3
101.06010	0.3
103.05472	1.5
105.03385	0.3
105.07027	5.8
107.04965	0.2
111.04443	1.0
113.05973	0.2
115.05448	4.3
117.07019	1.7
119.04941	4.2
119.08587	0.2
121.02842	0.5
121.06526	0.5
128.06221	0.5
129.05475	0.4
129.06998	0.3
131.04916	3.3
133.02809	0.2
133.06488	6.1
133.10094	0.2
134.03632	0.2
143.04898	0.8
143.08537	0.3
144.05685	0.3
145.06485	2.1
146.07242	0.3
147.04404	18.9
148.04799	0.4
155.04977	0.1
155.05991	0.3
155.07043	1.6
159.04411	1.0
160.72673	0.1
161.02383	0.2
161.06007	2.3
161.09694	0.7
163.03882	0.7
171.04385	1.1
171.08029	0.2
173.05988	0.6
173.08133	0.9
173.09544	0.3
174.06740	0.2
175.03903	100.0
176.02792	0.1
176.04240	2.4
187.03893	1.4
189.05466	19.2
189.09029	0.4
190.05806	0.4
195.07561	0.2
199.03868	0.5
201.05505	0.2
202.06209	0.2
216.06512	0.5
217.05243	11.5
217.08592	62.6
218.05325	0.2
218.08934	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14523	0.5
55.05507	2.2
56.96561	15.8
58.99863	1.1
59.96627	0.6
70.74570	0.6
71.50939	0.8
71.95253	1.5
72.08150	0.5
74.97581	0.7
82.73972	0.6
82.99857	2.0
83.05003	3.3
84.08128	0.6
84.57198	0.6
84.96037	1.9
85.01400	1.9
86.97585	0.7
87.04497	0.6
97.96815	0.8
98.97581	18.4
99.97906	0.7
101.00877	18.7
101.06015	1.8
103.02450	14.6
104.03811	0.6
104.98605	0.9
110.97536	1.5
111.04445	3.6
113.00884	1.0
113.05985	1.0
115.97829	0.7
116.98615	12.1
119.01917	100.0
120.02013	2.2
121.03478	10.3
123.99396	0.8
124.99157	1.7
125.01028	0.7
125.99155	1.1
126.99926	1.0
127.00784	1.2
127.02367	3.4
127.07607	0.9
128.98634	2.3
129.05505	0.7
131.00218	0.7
131.01024	0.5
131.01903	10.5
132.00031	1.1
132.02032	0.7
132.98055	1.6
132.99879	1.5
134.99658	8.3
137.02953	34.8
137.99039	0.6
138.03058	1.0
139.00797	1.5
139.02652	0.7
139.98882	0.6
140.99638	0.9
141.98575	2.0
142.00363	0.7
142.03484	2.9
143.00142	3.3
144.98067	1.1
145.03456	83.8
145.98915	1.8
146.01558	0.9
146.03601	1.6
146.08101	1.6
146.99670	5.1
147.01376	6.3
149.02972	5.5
150.99107	1.7
152.01534	1.9
153.00632	1.1
153.98621	1.1
154.99307	1.2
155.06171	0.6
155.07050	5.7
156.00128	2.3
158.01367	0.7
158.99664	1.6
160.99365	0.8
161.01205	1.9
161.02986	1.2
162.99249	4.1
163.04520	50.7
164.04619	1.4
165.00700	3.7
165.02353	1.0
166.01228	1.4
168.05034	3.7
169.00903	1.0
171.01360	4.3
173.03062	3.9
173.08089	2.5
174.01199	1.6
174.97612	1.3
174.99069	1.7
175.01920	7.4
175.51984	1.6
176.99123	1.4
177.00711	1.9
177.02196	0.8
178.01321	1.7
181.01759	1.5
181.98145	1.9
182.02533	1.9
182.98241	0.9
183.04005	0.9
183.99701	1.3
184.02417	0.7
186.06143	1.3
187.02020	2.1
188.98880	1.2
189.02440	33.8
190.02420	1.3
190.98711	4.4
191.00433	4.0
191.02881	1.7
191.04005	3.6
191.48857	1.6
191.53333	0.7
191.98647	2.4
192.02069	0.8
192.98703	1.3
193.00180	5.7
193.01938	2.4
193.50426	0.7
194.00728	1.2
196.02385	1.3
197.03757	0.7
198.97588	0.8
199.00781	1.9
199.99338	1.4
200.00978	6.2
202.00708	5.3
202.51117	1.3
202.53954	0.9
203.03102	0.9
203.53120	0.7
205.00233	1.3
206.01854	1.7
206.04271	0.6
207.03503	20.2
209.01563	0.9
210.96474	0.6
211.51785	1.5
211.99274	5.5
212.01297	1.0
212.03853	3.2
212.49301	1.7
212.99144	0.9
214.00739	4.5
214.50932	0.7
216.98679	1.7
217.01917	8.9
217.05162	0.8
217.10648	1.6
217.15477	2.2
220.99779	1.2
223.01259	6.5
223.51489	1.0
225.51599	0.8
226.03346	1.8
234.99652	1.3
235.02942	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	217.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.5
51.02393	1.2
53.03938	1.4
55.01875	0.4
55.05509	9.2
57.07059	0.5
59.04988	0.7
63.21180	0.3
65.03938	1.2
67.01853	1.7
67.05515	1.9
68.99808	0.3
69.03424	0.8
69.07071	1.3
70.98397	0.9
71.04980	0.3
73.02906	0.7
77.03923	9.4
79.05480	0.9
81.07058	1.3
83.04975	12.6
83.08619	0.4
85.06543	1.1
87.04460	1.5
89.02390	1.1
89.03926	0.9
89.06031	2.3
91.05480	11.0
93.03412	0.8
93.07053	1.8
95.01327	11.3
95.04961	1.7
95.08587	1.2
99.04465	0.9
101.06017	4.2
103.05462	0.5
105.03390	32.0
105.07018	3.3
107.08566	0.5
109.10143	0.7
111.04439	14.8
113.05994	2.2
115.05467	1.2
117.07027	1.0
119.04939	4.9
119.08583	2.3
121.02876	0.6
121.10201	0.6
123.00793	0.5
123.08147	0.4
126.09089	0.3
127.07576	2.5
127.91648	0.3
128.06219	1.1
129.05486	4.9
129.07018	1.3
131.08582	1.3
133.02847	20.4
133.06468	2.3
133.10133	1.8
135.11731	0.3
137.05986	0.6
142.07771	1.8
143.01279	2.2
143.08569	1.8
144.09332	0.4
145.02829	0.7
145.06453	0.5
145.10129	0.8
147.04404	21.0
147.08035	0.9
147.11662	0.9
148.36794	0.4
155.07033	19.4
156.09384	0.6
157.10130	4.4
159.11682	2.3
161.02338	52.7
161.05940	0.8
161.09608	1.4
161.13248	0.5
162.02670	0.8
163.00310	1.1
171.00818	1.0
171.08142	0.4
171.11713	1.1
173.06581	0.7
173.08095	12.6
173.13232	0.6
175.03903	100.0
175.11217	1.4
175.14819	0.7
176.04263	0.5
187.00230	0.5
187.11220	0.4
189.01828	54.0
189.05420	6.2
189.16470	0.5
190.02176	1.0
199.09596	1.2
199.11487	1.1
199.14856	2.6
202.02568	1.5
202.07938	0.3
205.01292	1.0
216.06535	0.8
217.01318	69.9
217.04935	2.9
217.08600	24.7
217.10690	9.4
217.12570	1.9
217.15842	10.2
217.19475	1.1
218.01736	1.9
235.02463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.7
51.02361	1.8
53.03945	1.1
55.01874	0.7
55.05516	5.4
55.22608	0.3
59.04990	0.6
63.02368	0.3
65.03948	0.5
67.01865	2.9
67.05508	1.8
68.91351	0.3
68.99805	0.4
69.03432	0.6
69.07073	0.7
69.32465	2.0
69.32897	0.9
70.06603	0.4
71.04980	0.5
73.02899	0.4
77.03931	17.9
79.05499	1.8
81.07053	0.8
83.04985	7.4
83.08611	0.4
85.06552	0.6
87.02367	0.3
87.04464	0.8
89.02399	1.0
89.03928	1.2
89.06047	1.9
89.16702	0.3
91.05487	2.4
93.03388	0.6
93.07050	1.3
95.01334	9.2
95.04977	2.8
95.08607	1.1
99.04447	0.6
101.06020	3.2
105.03394	56.9
105.07021	2.8
106.03732	0.7
107.04954	1.2
107.08598	1.4
107.92274	0.3
109.06567	0.6
109.10159	0.8
111.04449	11.5
111.05222	0.6
111.08058	0.3
113.06000	1.5
115.05485	0.3
117.07008	0.9
118.16356	0.3
119.01291	0.5
119.08572	1.9
121.02876	0.5
121.06503	0.6
121.10151	0.8
123.08088	0.4
123.11728	0.3
126.09151	0.5
127.07574	1.6
128.06235	0.9
129.05508	3.1
129.06984	1.0
131.08568	1.8
133.02853	32.3
133.10141	1.6
134.03183	0.5
135.11681	0.6
142.07825	0.5
143.01324	2.3
143.08566	1.3
144.05661	0.4
145.02841	1.2
145.06505	1.2
145.10143	0.9
147.00775	0.7
147.04398	0.6
147.08009	0.5
147.11688	1.0
149.02379	0.3
151.03929	2.5
155.05777	0.7
155.07034	14.4
156.05675	1.2
157.10136	1.8
158.07245	0.3
159.00935	0.3
159.11728	1.9
161.02342	100.0
161.09610	1.3
161.13271	0.7
162.02687	1.8
163.00264	0.4
165.01799	0.4
171.00745	0.6
171.08121	0.3
171.11697	0.6
173.08107	7.7
173.09491	0.6
173.13234	0.4
175.03893	2.2
175.07530	0.3
175.11180	0.9
175.14771	0.6
179.03383	0.3
184.05075	0.3
187.00282	0.7
189.01830	84.2
190.02180	1.3
199.07549	0.9
199.09663	0.8
199.11539	0.8
199.14854	1.0
202.06197	0.4
205.01299	0.7
217.01323	74.3
217.08585	6.5
217.10698	7.5
217.12468	1.4
217.15869	4.2
217.19476	1.1
218.01645	1.6
225.59935	0.3
235.02385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.8
51.02190	0.4
51.02365	2.2
53.03937	1.2
53.20797	0.4
53.36745	0.4
55.01856	0.7
55.05509	7.3
56.96569	0.9
59.05001	0.7
63.02356	0.4
65.03922	0.7
67.01858	2.6
67.05500	1.3
68.99789	0.7
69.03409	0.5
69.07064	0.5
75.27951	0.3
77.00288	0.4
77.03928	13.8
78.04697	4.2
79.05495	0.9
81.03420	0.5
81.07066	0.8
83.04977	10.4
83.08585	0.5
85.06535	0.9
87.04507	0.8
89.02390	1.0
89.03921	1.7
89.06018	2.4
91.05467	1.9
93.03388	0.7
93.07047	0.5
95.01324	15.3
95.04954	2.1
95.08602	1.2
99.04450	1.3
101.06011	3.5
103.05427	0.6
105.03388	41.5
105.07037	3.0
106.04211	2.5
107.08606	0.8
109.10143	0.9
111.04433	14.4
113.06001	1.7
115.05467	1.0
116.02592	1.3
117.03375	0.6
117.07004	0.6
118.04165	0.7
119.01276	0.4
119.05040	0.6
119.08573	1.7
121.02856	0.8
121.10110	0.7
123.00800	0.9
127.07578	1.9
127.09500	0.5
129.05489	3.7
129.07010	0.6
131.04933	2.1
131.08546	1.1
133.02849	25.3
133.06470	0.5
133.10072	1.1
134.03630	7.3
135.00757	0.8
139.00258	0.5
143.01286	2.2
143.08585	0.7
144.01991	0.7
145.02827	1.9
145.06425	0.4
145.10123	0.7
147.03285	0.8
147.04399	1.5
147.06465	0.7
147.08058	0.5
147.11601	1.0
151.03871	0.7
155.07027	20.2
157.10126	1.3
159.11699	1.7
161.02336	65.5
161.09579	0.6
161.13264	0.6
162.03128	7.0
163.00290	1.6
171.00748	1.6
171.11775	0.4
172.01552	1.4
173.02347	5.2
173.05923	0.7
173.06462	0.5
173.08089	10.4
173.09521	0.7
173.13188	0.5
174.02992	4.0
175.03909	8.3
175.11269	0.5
176.04276	0.5
179.03296	0.5
181.01302	0.6
183.04904	2.8
187.00279	1.2
189.01822	82.5
189.05295	2.8
190.02480	3.0
194.55710	1.0
199.09599	1.7
199.11424	0.5
199.14861	0.8
201.05493	2.5
202.02583	14.2
204.00531	0.7
205.01271	0.5
217.01318	100.0
217.04683	18.7
217.08545	4.5
217.10699	10.3
217.12378	1.0
217.15796	2.5
217.19495	1.4
218.02084	31.9
235.02406	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	217.002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
54.60873	0.6
55.01881	1.3
55.05510	18.6
56.05035	2.1
56.96564	100.0
57.03437	3.8
58.06602	1.0
59.05007	1.9
60.04525	1.2
60.05658	1.6
60.95853	2.5
61.02929	2.5
67.05506	2.5
68.05052	0.7
69.03428	6.9
69.07085	1.8
69.61674	4.6
70.06593	26.8
70.98122	54.7
71.04993	1.7
71.06935	1.0
71.95270	2.7
72.08155	83.8
73.02915	5.2
74.06081	2.7
74.09721	2.6
74.97600	9.6
74.97987	0.8
79.05499	0.8
81.03412	1.5
81.07051	1.1
83.04981	15.6
83.05470	1.1
83.08627	0.9
84.04515	1.6
84.08141	5.7
84.96039	1.3
85.01398	0.6
85.02895	5.6
85.06553	1.5
85.62504	0.6
86.06071	5.2
86.09711	1.4
87.04481	2.9
88.07623	1.1
88.99157	41.2
89.02377	1.5
89.06052	2.8
92.98664	3.0
93.03419	1.0
93.07048	0.8
95.04977	1.3
96.04495	4.2
97.02900	3.2
97.99210	3.0
98.97585	62.4
99.04462	1.7
99.97938	0.8
101.00871	6.2
101.06021	5.5
102.96892	1.6
103.02457	3.8
105.03413	2.5
105.07069	1.1
107.00195	18.5
107.00895	1.0
109.02891	1.6
110.01311	0.9
110.97606	3.2
110.99712	0.7
111.04443	23.3
112.00799	1.1
112.07618	1.8
112.08773	1.4
113.02407	1.2
113.06027	2.4
113.07135	1.0
114.09190	1.2
115.02454	0.6
115.08713	1.1
116.00245	1.1
116.07093	11.0
116.07826	0.8
116.98618	54.9
118.08691	2.2
119.01913	33.9
120.97962	2.2
121.01651	1.5
121.02796	1.2
121.03520	2.1
124.95497	1.2
125.01263	1.9
127.03936	0.8
127.07597	2.7
128.02322	1.6
128.07111	0.9
128.98643	3.4
129.05457	5.4
129.10318	1.1
130.01811	1.7
131.00235	2.0
131.01888	5.2
133.01762	0.8
133.03482	0.9
134.99654	37.8
136.74776	0.6
137.02946	13.4
137.03891	1.0
137.06032	1.0
137.10776	2.9
138.09111	4.0
138.98965	1.2
139.03978	0.6
140.00211	3.1
142.03552	1.4
142.96547	1.8
143.00154	1.1
143.01942	0.7
144.10272	1.3
144.98141	1.8
145.01747	1.4
145.03467	23.6
146.08159	0.9
146.99644	3.9
147.01460	2.9
149.01219	3.2
149.03001	2.6
153.00711	6.1
155.07031	27.1
155.11792	1.5
156.98094	0.9
157.03528	1.0
157.09766	1.1
158.01312	3.0
158.08185	4.8
158.09248	1.2
158.99693	2.7
159.03261	0.9
160.97624	2.2
161.01268	2.0
161.03043	1.5
162.03706	0.7
162.05492	1.4
162.99164	1.3
163.04514	12.9
163.55127	0.7
165.00685	1.1
167.02278	1.2
168.05110	1.1
170.99754	0.9
171.01443	2.5
171.06535	1.2
171.14954	0.8
172.02855	1.0
173.03004	4.0
173.08105	16.8
173.09497	1.3
174.99150	9.6
175.00694	0.7
175.02626	0.9
175.04491	1.4
175.11996	1.6
176.02197	0.7
177.00845	2.6
178.98631	1.0
181.00130	0.7
185.01347	0.8
187.02930	0.7
187.04501	0.9
189.00781	2.1
189.02530	6.7
191.02287	1.4
191.03926	1.4
193.00211	43.0
193.05128	0.9
194.03116	1.7
198.00755	0.9
199.06374	1.3
199.09697	1.4
200.10545	1.1
200.13022	0.7
201.00728	1.3
203.04095	0.9
203.05869	0.9
206.05922	1.3
207.01843	1.1
207.03470	3.7
210.99272	0.8
211.01225	15.9
212.04245	1.2
216.01917	2.5
217.02016	2.3
217.07294	3.9
217.10808	14.7
217.12981	5.6
217.15599	4.5
234.02863	1.0
236.04419	1.0
237.02866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1018
Annotation	Bruceolline J
Peak:m/z	Relative Intensity
55.01875	1.2
55.05513	4.8
59.04981	0.8
69.03431	2.2
69.07060	0.8
70.06574	2.2
70.71962	2.4
71.05001	0.9
81.03401	0.9
83.04495	1.0
83.04988	12.0
83.46187	0.9
91.05502	0.9
92.04964	1.5
95.04970	0.8
104.04957	1.0
106.06557	1.3
111.04457	1.8
118.06551	2.8
120.04456	5.3
126.09175	4.4
128.06233	0.9
129.06940	1.1
130.06525	3.3
131.04958	1.1
131.07253	1.3
132.04449	35.5
132.08072	2.5
133.05212	0.9
135.27945	0.7
144.08095	2.6
146.06009	34.5
146.09645	5.8
147.04449	1.5
147.06293	0.8
155.07135	2.3
156.07990	1.3
158.06010	13.1
159.06799	0.8
160.03917	4.6
160.11247	1.1
161.04845	0.8
162.05492	5.4
170.06024	0.8
170.09657	6.1
172.07558	13.3
173.08348	26.0
174.05521	22.3
174.09151	39.2
175.03886	4.0
180.08122	3.5
183.06795	14.9
184.07399	1.0
186.05571	1.8
188.07121	3.0
188.10703	5.7
196.07541	1.3
198.09158	56.7
198.11211	5.7
199.09596	1.2
216.10223	100.0
216.12286	11.2
217.10590	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	215.0701
Annotation	4,4'-Dimethylangelicin
Peak:m/z	Relative Intensity
51.02390	0.2
52.44952	0.3
53.03938	0.6
55.01875	0.4
68.99796	2.2
69.72388	0.2
70.48022	0.6
73.65644	0.2
77.03922	0.3
81.03440	0.3
89.03918	0.4
91.05486	6.1
91.49966	0.2
92.18672	0.2
93.07020	0.3
95.01341	0.4
95.08623	0.3
103.05458	1.1
105.06998	0.3
107.04913	0.4
107.08618	0.2
108.74306	0.2
115.05432	2.1
116.06283	1.3
117.07051	1.6
119.04945	0.3
119.08581	0.8
126.09142	0.4
127.05409	0.3
128.06230	4.3
129.06985	1.0
131.04927	24.3
131.08566	4.9
134.03625	0.4
141.07008	3.6
143.08548	0.9
144.05698	2.2
145.06487	1.4
145.10143	0.3
147.04405	3.5
147.08038	3.0
152.06194	0.3
153.07033	0.2
155.06171	0.4
158.03589	0.4
159.04417	100.0
159.07985	5.6
160.04730	2.0
163.03900	1.3
169.06483	1.1
171.04462	0.3
172.05157	0.5
173.02335	0.4
173.05977	4.7
173.09720	0.3
175.03918	7.6
185.05989	0.3
187.04063	1.2
187.07542	21.4
188.07875	0.4
192.03424	1.6
192.53444	0.3
197.05974	1.9
198.11223	0.4
200.04721	0.8
200.07056	1.2
201.04001	0.3
203.54190	0.8
215.07028	81.1
215.22072	1.1
216.07408	2.0
216.12308	0.6
223.11136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90912	0.2
55.05502	0.3
59.04998	0.4
62.32841	0.2
67.05509	0.5
67.88822	0.2
69.03415	0.2
69.07042	0.3
70.06588	0.5
70.18554	0.8
71.04993	0.3
72.08160	0.3
72.93810	0.5
82.06586	0.6
84.07691	0.2
88.07608	0.7
90.94823	0.4
91.05479	0.4
95.04955	0.3
95.08597	0.3
98.20791	0.2
103.38412	0.2
112.07599	0.4
115.05456	2.7
116.06259	0.3
116.10724	0.3
128.06209	0.3
128.45491	0.2
129.06975	0.3
130.06529	1.3
131.04909	0.3
131.08621	0.4
132.95822	0.6
141.06958	0.3
142.06523	44.0
143.07323	13.8
143.08385	0.5
144.08072	2.1
145.06433	0.4
145.10110	0.4
149.96095	0.5
150.96880	1.7
154.06517	0.4
155.04892	0.3
156.08089	0.8
157.10103	0.4
158.05991	1.0
159.04410	0.4
159.07976	0.3
160.07587	26.5
161.07925	0.6
167.07320	3.2
167.97090	0.5
168.08069	0.8
170.09644	2.6
172.07527	2.8
173.09521	0.3
174.05507	0.3
180.08087	3.9
181.08864	70.4
182.09323	2.5
183.09180	1.5
184.11220	0.7
186.09111	0.6
191.97203	0.4
194.09662	0.3
195.10385	0.6
196.11223	19.8
197.11540	0.7
203.54820	0.3
209.98158	0.3
214.12279	100.0
215.07036	0.6
215.10774	0.5
215.12630	3.6
215.14366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05503	0.9
56.05056	0.7
56.96566	63.1
57.03433	0.6
58.06586	0.6
60.05616	0.9
60.95859	0.6
67.05499	0.6
69.03423	1.9
69.07063	2.6
70.06593	99.9
70.16979	2.4
70.17349	1.0
71.04993	0.8
71.06921	2.6
71.95257	2.3
72.08170	3.5
72.96040	4.3
73.02914	0.9
74.06056	0.6
74.97613	0.8
76.34822	0.5
83.06100	0.9
84.08144	8.6
84.96027	4.6
85.02900	1.4
85.07677	0.6
86.09708	37.4
90.20206	0.6
91.05493	0.7
95.04955	0.6
95.06095	1.4
97.02889	1.4
97.06532	4.2
97.99194	1.5
98.06031	1.6
98.97582	100.0
99.97931	0.9
100.99149	5.2
101.00860	4.8
110.07159	1.1
110.97562	4.2
112.08747	0.9
115.08691	0.9
116.00196	0.9
116.07098	1.1
116.98621	75.4
118.03514	2.5
119.00177	2.5
119.01920	31.0
124.00704	4.0
127.03860	0.6
128.98611	6.9
129.10225	0.6
130.03499	1.5
130.93257	1.2
131.00140	1.3
131.01898	2.4
131.99736	0.8
134.99657	42.8
136.00719	1.1
137.01985	0.9
137.02957	11.8
140.00201	2.6
142.01740	1.9
142.03479	0.8
143.00221	0.6
144.05040	1.3
144.98082	2.3
146.99640	6.2
149.01175	1.2
150.96852	1.1
153.00681	5.6
154.01770	7.2
154.03027	0.8
154.03477	0.6
155.05641	0.7
155.08078	1.5
158.01245	3.1
158.99628	1.0
160.02905	0.9
162.09764	0.7
162.99173	3.9
165.00708	4.7
168.03290	1.3
168.08681	1.2
170.01218	0.7
170.99631	0.6
172.02823	11.6
172.04295	1.0
172.94330	2.0
172.97594	1.3
173.06573	1.4
177.00749	1.1
181.00081	0.7
183.01730	2.2
186.04388	10.7
186.09761	21.0
188.02309	3.1
188.05930	0.6
190.03877	14.5
190.95555	2.6
190.98579	5.0
191.04088	1.3
191.07619	0.7
196.02765	2.0
197.06517	1.8
197.10313	1.9
204.05421	4.8
204.10822	11.3
206.03375	2.9
208.04942	13.3
208.96489	1.0
208.99672	8.0
209.11356	0.7
212.06926	0.9
213.05476	0.9
214.03860	49.0
214.09158	9.0
214.12636	1.2
214.15474	1.7
215.07646	2.3
227.00742	1.3
232.04935	40.6
232.10294	28.2
232.96404	1.9
233.05171	0.9
233.08560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	38.2
57.03433	0.8
63.55680	0.5
69.03403	0.5
70.06590	84.2
70.44881	1.9
71.06929	0.8
71.95265	1.5
72.96037	3.1
73.02912	0.7
84.08135	1.8
84.96037	3.4
85.02909	0.9
89.59663	0.6
97.92247	0.6
98.20875	0.7
98.97581	100.0
100.99148	3.2
110.97588	1.9
116.98616	64.0
119.00192	1.6
119.01889	1.0
124.00723	3.1
126.97050	0.7
128.98599	3.7
134.99652	25.8
136.00674	1.4
140.00163	2.2
142.01724	1.4
144.98074	1.7
146.99619	2.9
153.00760	3.0
154.01752	8.3
158.01276	1.5
162.99130	2.5
165.00679	2.3
168.03300	1.7
168.99956	0.5
172.02818	11.9
183.01753	0.8
186.04390	11.3
188.02269	2.6
190.03862	15.4
190.98575	2.9
196.02805	1.7
204.05418	3.7
206.03296	3.2
208.04916	12.2
208.99664	5.1
209.05891	0.9
213.05269	0.7
214.03868	43.0
227.00694	0.7
232.04919	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	214.0024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.8
56.96567	100.0
57.03440	1.7
60.95848	0.8
61.02920	1.6
67.05501	0.7
69.03437	2.5
69.07072	1.0
69.52738	1.2
69.53161	2.4
70.06594	36.8
70.98112	0.5
71.06934	0.7
71.95265	2.0
72.08157	1.4
72.67300	0.5
72.96055	3.2
73.02923	2.0
74.97614	2.1
81.07082	0.7
82.06592	0.8
84.04495	0.6
84.08139	2.8
84.96041	7.0
85.02916	2.4
86.09705	0.7
86.97588	0.8
92.05837	0.7
92.98674	0.9
94.06554	0.5
94.58376	0.5
95.06051	0.5
96.01550	0.5
97.02878	1.3
97.99184	1.0
98.01294	0.5
98.97588	39.7
99.97927	0.8
100.02240	0.6
100.99146	17.0
101.00877	0.6
102.97028	1.4
108.92095	0.5
110.01300	0.9
110.06030	0.8
110.97565	8.9
111.05548	0.6
112.07622	0.7
112.99091	0.7
113.02403	0.7
115.73785	0.6
116.00253	0.7
116.98624	32.6
119.00191	12.4
119.01893	2.6
121.01612	0.5
121.06496	0.8
122.06885	0.7
124.00729	1.8
126.97037	3.2
128.02287	1.5
128.98610	14.2
131.00191	1.3
131.01849	1.0
132.97917	0.5
134.99660	17.8
136.00613	0.5
137.01186	1.8
137.02893	0.6
140.00180	1.5
140.02328	0.6
142.01802	1.3
143.00197	0.9
144.98085	10.6
145.03467	0.8
146.02296	0.6
146.99663	18.2
149.01199	1.6
150.96928	1.1
153.00706	1.9
154.01764	4.3
158.01265	1.1
158.99727	0.9
161.01204	0.5
161.02965	0.9
162.99147	15.1
165.00719	13.8
168.03413	0.6
168.04930	0.5
168.06410	0.5
172.02858	5.3
172.97594	3.7
173.01190	0.5
177.00711	1.7
181.00179	2.6
183.01787	8.2
186.00749	0.7
186.04405	4.4
188.02260	2.3
188.97011	0.5
189.00656	0.6
190.03838	6.9
190.98628	18.5
191.02249	1.3
191.04044	0.8
193.03740	0.5
196.02928	0.6
196.09659	0.6
201.00699	0.8
204.05469	1.7
206.03369	1.3
208.04933	5.7
208.99704	29.8
214.00417	0.9
214.03876	21.8
214.10730	1.7
219.01764	1.0
227.00786	4.7
232.01186	1.4
232.04938	17.7
232.08459	0.7
233.37512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.1
53.39546	0.1
55.01870	0.2
62.03789	0.1
63.02376	0.1
77.03941	0.1
79.05511	0.6
91.05471	0.4
95.94015	0.1
102.04734	0.1
103.05455	0.7
105.07038	0.1
110.88467	0.1
115.05442	2.0
117.07011	0.2
119.04916	0.2
127.05433	0.4
128.06221	11.4
129.07004	16.3
130.07368	0.2
131.04901	0.8
131.08539	0.1
134.03603	0.1
135.04442	0.1
139.05426	0.3
141.06992	3.5
142.07780	3.2
143.04898	0.4
143.08577	0.5
144.05713	0.1
145.06470	1.7
147.04395	0.2
152.06203	0.6
153.07016	0.2
154.07797	0.3
155.04883	0.3
155.06038	1.3
155.08540	0.2
156.05676	0.4
157.06493	12.8
157.10120	1.9
158.06860	0.2
159.04405	1.3
159.08002	0.2
165.06969	0.3
167.08546	0.8
168.05708	0.3
169.06439	0.9
169.10185	0.2
170.07269	1.1
171.04451	0.6
171.08072	0.5
173.06001	0.2
183.07986	0.2
184.05176	1.1
185.05975	47.8
186.06346	0.6
195.05457	0.2
195.08069	0.7
197.05954	0.6
198.06741	2.8
211.07460	0.1
212.23738	0.2
213.05467	100.0
213.08812	16.9
214.05840	1.6
214.09464	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	213.0544
Annotation	2-HYDROXYXANTHONE
Peak:m/z	Relative Intensity
50.84917	0.1
51.02388	0.1
55.01876	0.2
67.53122	0.1
71.51869	0.1
79.05498	0.5
81.07063	0.1
91.05472	0.2
95.04975	0.2
103.05458	0.7
105.07029	0.1
108.78275	0.1
115.05448	2.3
117.07004	0.2
119.04987	0.2
127.05469	0.3
128.06223	12.0
129.07007	16.2
130.07382	0.2
131.04918	0.8
133.02820	0.1
134.03595	0.1
139.05437	0.2
141.06984	3.2
142.07787	2.9
143.04866	0.5
143.08562	0.5
144.05759	0.2
145.06477	1.7
147.04424	0.2
152.06223	0.4
153.07001	0.2
154.07753	0.4
155.04887	0.2
155.06035	1.6
155.08568	0.3
156.05681	0.5
157.06493	13.5
157.10126	1.6
158.06880	0.2
159.04401	1.1
165.07068	0.2
167.08586	0.8
168.05717	0.2
169.06499	0.8
169.10080	0.2
170.07254	1.0
171.04431	0.6
171.08058	0.4
173.06024	0.4
183.81346	0.1
184.05161	1.3
185.05978	47.8
186.06401	0.7
195.05568	0.2
195.08018	0.7
197.04285	0.1
197.05978	0.4
198.06750	2.5
202.04491	0.1
210.58676	0.1
213.05467	100.0
213.08751	13.9
214.05841	1.6
214.09373	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	213.0542
Annotation	4-Hydroxyxanthone
Peak:m/z	Relative Intensity
55.05489	0.4
56.09030	0.3
65.03928	0.4
65.70975	0.3
67.05494	0.5
69.07069	0.7
69.66711	0.5
69.67113	1.5
70.06584	0.3
79.05498	0.4
81.07047	0.4
83.08596	0.4
88.07628	0.6
91.05467	1.0
93.07027	0.5
93.45592	0.3
95.08557	0.4
98.21438	0.4
103.05463	1.2
105.07043	0.5
107.08615	0.5
111.04449	0.4
115.05454	5.0
119.04970	0.4
119.08587	0.8
125.05985	0.3
127.05449	0.6
128.06223	18.5
129.07007	29.2
131.04897	1.2
139.05467	0.6
141.06990	8.0
142.07771	7.3
143.04924	0.6
143.08569	2.1
145.06491	3.4
152.06236	1.0
153.06949	0.6
154.07750	1.4
155.04941	0.6
155.06013	2.5
155.08501	0.7
156.05655	0.7
156.09303	0.7
157.06491	26.5
157.10121	6.3
158.06874	0.5
159.04410	1.6
165.07021	0.8
167.07315	0.4
167.08549	1.9
169.06480	2.5
169.10100	0.9
170.07281	4.0
171.04378	1.0
171.08073	1.2
171.11699	1.3
173.05968	1.5
184.05171	0.9
185.05977	35.7
185.09558	5.8
185.13269	0.5
186.06633	1.3
195.08000	1.8
195.11638	0.5
197.05995	1.2
198.06752	8.0
213.05476	100.0
213.09004	34.1
213.12639	2.1
213.16153	1.6
214.06010	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	212.0706
Annotation	(4-Chlorophenyl)biguanide
Peak:m/z	Relative Intensity
55.01846	0.5
57.03439	0.5
67.05510	0.5
69.03444	0.3
69.07036	0.4
69.44237	1.7
69.44643	0.7
70.06575	0.7
79.05477	0.3
81.07043	0.6
83.08604	0.6
85.02940	0.3
88.29555	0.3
91.05479	0.7
93.07040	0.5
95.08632	0.5
98.06055	0.4
99.76778	0.4
105.07070	0.4
110.10574	0.4
115.05404	0.4
128.06186	0.6
129.06999	1.4
130.06526	0.4
148.12042	0.5
152.07042	0.5
156.08046	1.6
166.06554	1.0
167.07219	0.7
169.05225	0.6
179.07016	0.3
183.06766	1.0
184.07567	3.3
184.11232	0.7
190.03297	0.8
194.08058	0.4
194.12813	0.3
197.04700	3.3
197.08327	0.5
212.07072	100.0
212.16516	0.8
213.05505	0.6
213.07408	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03942	1.7
55.01866	2.6
55.05510	19.6
56.37996	0.7
56.80140	0.7
57.03154	1.7
57.03436	31.4
57.07077	5.7
59.04996	2.2
65.03918	1.4
67.05502	36.5
69.03429	4.8
69.06731	1.2
69.07068	18.3
71.04988	6.8
71.08628	1.5
79.05074	1.3
79.05492	14.2
81.03413	7.7
81.07053	36.6
81.07531	1.9
83.04980	15.1
83.08616	14.2
85.02924	0.8
85.06160	0.7
85.06542	7.3
91.05476	14.5
93.07043	30.2
95.04968	12.7
95.08604	60.3
97.06527	14.6
97.10143	5.2
99.04453	1.5
99.08095	4.1
103.05466	1.4
105.07022	18.1
107.04967	1.5
107.08590	31.1
109.06517	16.7
109.10152	100.0
110.07310	1.0
110.10519	0.9
111.08073	44.8
113.05991	3.4
113.09647	1.6
113.74070	0.9
117.06979	1.7
119.05113	0.9
119.08578	45.5
120.08891	1.1
121.06496	2.8
121.10137	27.9
122.07230	2.6
123.04437	1.7
123.08061	49.4
123.11703	17.8
125.09620	15.2
127.11182	3.2
129.07007	2.3
129.38164	0.8
131.08554	2.9
133.10126	42.1
134.10561	0.9
135.08084	1.0
135.11687	45.1
137.05986	1.9
137.09610	93.3
137.13225	5.6
138.10429	7.6
139.11174	14.3
141.06972	1.1
142.07733	0.8
145.10092	1.2
147.11673	12.5
149.05974	2.0
149.09613	7.5
149.13252	12.4
151.07555	1.3
151.11182	7.2
151.14819	9.3
153.06984	1.4
153.12643	1.1
155.08528	2.7
157.10107	2.7
163.11154	3.2
164.11925	1.0
165.07037	1.7
165.12758	10.8
165.16444	3.8
167.07037	9.2
167.10674	15.1
168.05746	0.8
169.10141	1.5
175.11247	4.4
175.14813	50.8
176.15141	1.0
178.13531	2.2
179.07091	1.1
181.06450	1.4
181.08516	1.0
183.08070	1.0
193.08563	0.8
193.10281	1.3
193.12204	7.1
193.15883	27.4
194.16318	0.9
196.12384	1.1
211.05977	0.8
211.07623	6.3
211.11137	2.4
211.13304	3.6
211.14906	1.8
211.16896	20.8
212.10611	0.8
212.16611	1.2
224.67702	0.8
229.53169	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03932	4.8
55.01846	7.1
55.02076	1.8
55.05508	22.5
57.03435	50.6
57.07043	4.1
65.03929	2.5
66.31015	1.5
67.05507	32.5
69.03426	14.3
69.07063	21.5
70.06577	2.9
71.04659	1.7
71.04989	18.6
71.08611	1.9
71.52380	2.6
72.08121	4.1
77.73558	1.5
79.05072	1.7
79.05491	22.7
81.03412	20.5
81.07055	48.1
83.04979	16.4
83.08617	13.5
84.08100	2.3
85.02863	1.7
85.06531	8.9
91.05478	29.0
93.06493	2.6
93.07037	41.0
95.04967	30.1
95.08604	62.6
96.08926	1.7
97.02843	1.8
97.06517	14.8
97.10151	3.8
99.04418	3.2
99.08089	12.6
103.05443	4.1
105.06406	2.4
105.07030	26.9
107.04919	3.7
107.07898	2.7
107.08586	40.8
108.08882	2.4
109.02850	2.1
109.06512	12.7
109.10150	49.6
111.04446	1.5
111.08072	17.7
113.09636	8.4
115.05392	4.9
117.06983	3.8
119.04858	2.7
119.08578	74.0
120.08025	1.8
121.06532	8.7
121.09344	2.1
121.10144	21.4
123.04455	7.4
123.07227	1.7
123.08061	25.1
123.11703	14.9
124.05132	2.3
124.07487	1.6
125.05951	2.5
125.09615	25.0
127.07533	1.7
127.11134	1.7
128.00783	2.2
128.06161	1.7
129.06995	4.5
131.08525	6.8
133.02815	2.3
133.06496	2.1
133.10126	100.0
134.10442	2.5
135.08035	1.9
135.10739	3.5
135.11685	46.8
137.05971	8.1
137.09596	16.7
137.13171	5.7
139.11166	15.8
141.09009	1.9
145.10059	2.8
147.04350	1.7
147.07899	2.0
147.11694	20.4
149.05922	6.0
149.09644	11.4
149.13181	4.0
151.03909	3.2
151.05263	1.6
151.07515	3.3
151.11090	4.2
151.14784	3.3
152.07101	12.2
153.06967	8.8
153.12695	2.6
154.07742	4.1
155.08524	15.0
155.10564	2.6
157.10037	4.9
161.02216	2.1
163.14824	13.7
165.05524	1.7
165.06963	8.1
165.12770	7.7
165.16342	3.5
166.06213	1.8
166.08612	3.4
167.07059	31.8
167.10674	27.7
167.14438	1.8
168.05640	5.9
168.07225	2.0
168.09332	1.7
169.04898	1.7
169.06322	3.9
169.10097	7.4
169.12219	2.4
175.11215	11.8
175.14819	64.6
176.15096	2.5
179.03383	3.8
181.06396	3.5
181.08545	5.7
181.10062	2.0
183.08035	7.8
183.11560	3.1
193.04898	4.6
193.06567	1.5
193.08501	2.2
193.10220	3.1
193.12234	13.0
193.13786	2.2
193.14063	1.8
193.15880	18.1
194.08131	7.6
196.08794	5.0
196.12395	3.6
210.50177	1.6
211.07471	62.3
211.11082	8.1
211.13165	6.0
211.14792	8.2
211.16847	19.1
212.07748	2.2
226.25842	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	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03936	2.9
55.01862	2.2
55.05512	31.0
57.03437	10.4
57.07073	5.3
59.04991	3.1
61.21180	0.9
65.03921	1.9
67.05505	47.6
69.03429	30.5
69.07071	45.5
70.84431	3.0
71.04995	18.8
71.08632	1.1
72.08156	1.6
79.05054	1.7
79.05486	13.6
81.03408	10.3
81.07058	58.2
83.04980	34.5
83.08614	20.1
85.02887	1.3
85.06551	8.6
91.05485	12.9
93.07049	29.2
95.04977	10.9
95.08608	76.7
96.08941	1.2
97.06525	13.4
97.10169	10.7
99.04515	1.2
99.08089	21.7
105.07031	15.8
107.04941	1.2
107.07884	1.7
107.08595	28.3
109.06547	12.8
109.10159	100.0
110.10526	1.9
111.04355	1.5
111.08081	54.0
112.08395	1.6
113.06015	1.7
113.09643	14.7
115.11205	1.1
117.06985	1.4
119.08581	26.8
121.06482	1.8
121.10139	16.1
123.04504	1.4
123.08071	15.9
123.11700	13.9
125.09631	11.3
127.07538	1.4
127.11193	3.5
128.00766	7.4
129.06970	1.0
131.08594	2.2
133.06464	1.1
133.10121	24.5
135.11688	35.8
137.05988	2.4
137.09610	21.5
137.13231	2.6
139.11183	4.2
141.06935	1.2
141.09123	4.4
143.43741	1.0
145.10139	1.2
147.11690	7.1
147.87366	1.0
149.05948	2.9
149.09628	2.8
149.13258	9.6
151.07600	1.3
151.11198	10.2
151.14836	7.9
152.07097	6.0
153.06920	1.1
153.12750	5.0
155.08585	1.9
155.10677	3.8
157.10150	2.3
165.06970	2.0
165.12730	2.7
165.16409	3.3
166.08633	1.8
167.07069	11.9
167.10718	2.2
168.09373	1.2
169.10104	1.8
175.11205	3.6
175.14824	24.9
179.83861	1.3
181.08559	1.7
183.11613	1.7
189.38725	1.1
193.12289	5.2
193.15895	18.2
194.08215	4.9
196.08772	1.4
211.07549	4.4
211.11198	3.5
211.13344	5.2
211.15260	1.5
211.16945	42.0
212.97688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03943	1.8
53.12965	0.7
55.01865	1.9
55.05512	7.0
56.54253	0.8
57.03436	25.7
57.07080	2.1
59.05002	1.8
67.05508	9.7
68.07761	0.7
69.03426	2.2
69.07072	13.5
71.04992	51.6
78.04708	0.8
79.05493	7.2
81.03422	4.9
81.07054	17.9
82.47079	0.7
83.04976	3.4
83.08624	3.3
84.22198	0.7
85.06546	4.8
91.05475	7.1
93.07042	22.3
95.04958	6.8
95.08605	27.0
97.06528	13.0
97.10175	2.4
98.21624	1.4
99.04453	100.0
99.08096	2.2
103.05458	1.4
105.07029	9.1
107.08595	19.5
109.02856	0.9
109.06498	3.9
109.10155	20.0
111.08080	4.4
113.05993	0.7
113.09640	13.3
115.07565	6.5
117.07014	1.1
119.08583	16.6
121.06502	1.5
121.10151	9.4
123.04429	1.2
123.08082	11.2
123.11700	7.6
125.09637	11.7
130.27013	0.9
131.08575	1.8
133.10144	9.5
135.08012	1.4
135.11693	37.1
136.11998	0.8
137.05963	2.0
137.09625	6.3
137.13275	1.0
139.11169	9.8
141.06999	0.9
141.09070	1.0
141.12717	4.9
147.11687	5.5
149.08678	0.6
149.09630	6.0
149.13248	2.9
151.03854	1.1
151.11188	2.3
151.14839	5.9
153.12724	2.6
155.08571	2.5
165.06897	1.0
165.12761	3.1
165.16415	1.1
167.07040	9.1
167.08438	1.1
167.10690	11.7
169.10057	2.3
169.12286	1.7
169.15915	1.9
175.11208	2.8
175.14818	11.6
179.07054	0.8
180.82455	0.7
181.06291	0.9
181.08549	2.1
183.07959	0.9
193.10246	0.9
193.12180	4.3
193.15907	7.1
211.05884	1.0
211.07603	7.2
211.11127	3.1
211.13203	2.6
211.14899	2.8
211.16891	23.4
221.87387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58453	1.6
53.03935	5.1
53.94505	1.7
55.01878	3.2
55.05512	38.9
55.49810	1.5
57.03439	9.2
57.07068	8.9
59.04991	3.1
60.96551	1.8
61.95418	1.6
65.03928	2.6
66.55058	1.6
67.05506	62.3
69.03087	2.7
69.03429	42.3
69.07069	53.9
69.27631	11.5
69.28046	4.7
70.06575	2.0
71.04991	30.9
71.08601	2.3
72.08147	5.7
79.05489	18.1
79.44321	1.6
81.03437	10.0
81.07056	69.5
83.04982	38.2
83.08618	26.4
85.02856	3.0
85.06545	15.2
87.04422	2.7
88.86214	1.5
91.05494	18.9
93.07042	33.8
93.07626	1.8
95.04953	14.6
95.08606	87.0
97.06538	17.3
97.10160	15.2
98.20700	3.0
99.04419	2.8
99.08096	34.0
103.05483	2.2
105.07028	20.5
106.04189	1.6
107.08597	35.8
109.06527	13.7
109.10155	100.0
111.08079	73.4
113.05997	2.1
113.09636	22.1
119.06073	2.1
119.08585	34.5
121.06510	3.2
121.10165	12.6
123.04430	5.7
123.08052	15.4
123.11707	14.0
125.09661	15.1
126.76341	1.9
127.07570	4.5
127.11158	3.8
131.08504	3.0
133.02827	5.1
133.06503	1.8
133.10130	41.0
135.11690	31.0
137.05974	3.8
137.09616	23.7
139.11203	3.9
141.06975	2.4
141.08173	1.6
141.09081	8.1
147.11697	10.4
149.06039	3.3
149.13258	9.7
151.03934	4.3
151.07553	2.2
151.11220	8.8
151.14760	8.1
153.06967	3.3
153.12766	3.9
155.08540	5.5
155.10661	7.8
157.10071	1.9
161.02370	2.6
165.05421	2.9
165.07025	2.6
165.12749	2.1
166.12268	2.0
167.07022	18.6
167.10684	2.7
168.09412	2.6
175.11203	1.9
175.14838	29.1
179.07005	3.0
181.08589	5.6
183.08049	1.9
183.11650	3.0
193.05014	3.9
193.10443	1.9
193.12250	6.3
193.15869	23.3
211.07564	15.2
211.11201	9.3
211.13252	4.9
211.15016	2.6
211.16931	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03946	7.3
55.01884	5.7
55.05512	47.7
56.96563	2.6
57.03430	10.6
57.07065	2.2
58.08863	1.0
66.17637	1.3
67.05505	31.0
67.57844	1.2
69.03419	9.5
69.07073	14.7
69.76534	4.2
69.76961	3.2
71.04988	7.0
79.05493	34.4
81.03419	100.0
81.06595	2.3
81.07059	39.6
82.03735	1.5
83.04497	2.5
83.04984	49.1
83.08153	2.3
83.08617	33.0
84.05283	1.2
85.02897	2.4
85.06531	3.2
87.04447	1.5
91.05482	37.9
93.07041	19.2
93.21663	1.2
95.04971	36.7
95.08604	17.3
97.02881	4.0
97.06535	8.6
97.10177	7.7
98.21556	1.3
99.08077	2.4
102.43442	1.2
105.03392	1.4
105.07034	27.4
107.04978	7.8
107.08600	9.8
109.06502	8.1
109.10147	4.5
111.08082	12.4
113.06002	1.2
115.05454	2.6
117.06996	1.4
119.04922	1.7
119.08585	20.4
121.06491	2.2
121.10149	8.5
123.04388	1.4
123.08060	4.8
123.11691	2.1
123.17690	1.2
125.09593	3.6
127.07635	1.5
129.06998	12.6
131.08571	13.9
133.06451	4.1
133.10124	9.2
135.07979	1.2
135.11697	2.4
137.05945	1.3
137.09625	2.6
142.07768	3.5
145.10085	2.0
147.08043	4.3
147.11696	15.5
149.09612	9.5
151.11099	1.5
153.06976	2.4
154.07761	1.4
155.07397	2.3
155.08556	27.6
157.10149	15.8
165.06982	1.2
165.12743	3.8
167.07004	1.2
167.10507	1.5
169.10133	5.8
175.11185	15.7
181.10095	3.6
183.06537	1.3
185.31429	1.2
193.10428	2.3
193.12244	38.0
193.15991	1.6
205.98819	1.8
211.07571	3.1
211.11182	2.8
211.13263	12.8
211.14839	13.0
211.16832	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03935	5.1
55.01877	5.2
55.05512	43.1
56.96555	1.3
57.03440	8.2
57.07080	1.7
59.04981	2.9
65.03935	1.7
67.05506	31.4
69.03427	9.3
69.06715	1.2
69.07066	10.1
69.30996	7.4
70.06585	1.1
71.05010	5.3
74.97574	0.7
79.05492	31.4
80.79318	0.7
81.03419	100.0
81.07057	39.6
83.04981	49.6
83.08621	32.5
83.09122	1.3
85.02914	1.5
85.06532	3.4
91.05483	33.2
93.06489	1.2
93.07052	18.6
95.04971	33.1
95.05574	1.9
95.08607	14.6
97.02872	4.0
97.06531	5.8
97.10177	9.3
99.08073	1.6
105.07037	25.2
107.04960	7.3
107.08586	8.9
109.06500	6.4
109.10171	4.4
111.04432	2.0
111.08082	13.7
115.05397	1.8
117.07008	1.2
119.08586	20.4
121.06455	2.8
121.10146	9.0
123.08059	3.9
123.11687	1.8
125.09637	3.2
129.07004	11.2
131.08575	12.5
133.06477	3.3
133.10139	11.2
135.11700	1.6
137.05988	1.6
137.09610	3.6
141.07018	1.3
142.07756	3.7
145.10114	1.7
147.04382	0.9
147.08067	5.0
147.11700	13.1
149.09648	6.2
151.11208	1.0
153.07027	1.1
155.08571	5.9
157.10139	17.1
165.07149	0.8
165.12720	4.0
167.07115	0.9
167.10614	1.4
169.10118	2.1
175.11182	15.2
175.12560	1.2
183.08063	2.1
183.11707	0.9
193.12250	33.8
211.07561	5.1
211.11174	2.4
211.13173	15.0
211.14835	1.6
211.16745	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03954	4.0
55.01877	7.7
55.05512	46.5
55.93524	2.6
56.96567	5.4
57.03157	2.9
57.03437	48.3
57.07071	3.0
59.04976	2.5
65.03932	3.1
67.05506	41.1
67.15444	1.5
68.13237	1.6
69.03439	13.7
69.07072	22.4
69.33643	1.6
70.06574	1.5
70.95849	1.5
70.97372	1.5
71.01334	1.9
71.04998	10.0
71.10408	3.5
79.05493	47.2
81.03419	100.0
81.07055	71.6
83.04980	48.5
83.08151	3.4
83.08615	36.6
85.02901	3.2
85.06553	3.8
88.89101	1.7
91.05484	44.5
93.07048	38.1
95.04968	44.9
95.08610	37.2
97.02885	3.2
97.06526	19.4
97.10181	10.1
99.04453	3.1
99.08088	3.4
103.05438	2.1
105.03360	2.2
105.07027	35.5
107.04961	10.6
107.08584	21.2
109.06504	16.8
109.10159	15.0
111.04466	4.1
111.08076	17.2
113.05963	2.4
115.05460	3.9
116.00253	1.8
117.07028	2.2
119.04949	2.1
119.08579	38.9
121.06500	4.2
121.10144	25.7
123.04411	3.2
123.08057	17.0
123.11691	7.0
125.05975	3.6
125.09627	12.2
127.07503	2.3
129.07010	14.4
131.04962	1.7
131.08591	15.7
133.06451	4.7
133.10115	14.0
135.08067	2.6
135.11705	5.0
137.05963	10.6
137.09616	7.3
137.13254	5.4
139.11217	11.2
142.07829	3.3
145.10147	2.0
147.04405	1.8
147.08067	5.3
147.11688	25.0
149.05916	2.8
149.09618	20.4
149.13264	3.1
151.07564	4.7
151.11220	2.8
153.06987	3.8
155.08560	12.9
155.10686	2.8
157.10126	17.2
163.97935	1.6
165.06992	4.4
165.09111	1.9
165.12755	9.6
167.07077	11.3
167.08394	3.4
167.10660	19.3
168.05647	2.2
169.10144	3.7
171.04439	3.6
173.02359	4.3
175.11186	26.2
175.14766	4.2
179.07098	1.9
181.10158	2.1
183.08031	3.7
183.11606	2.9
189.02092	3.2
193.12236	49.1
193.15837	2.5
196.05281	1.9
196.08801	2.5
201.01704	2.6
202.02673	2.3
211.05791	3.1
211.07571	15.9
211.09322	2.6
211.11121	8.1
211.13257	25.5
211.14905	7.3
212.07178	3.9
212.10789	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	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03945	4.6
55.01858	6.1
55.05265	2.1
55.05511	21.7
55.84350	1.4
57.03438	100.0
57.07076	3.5
59.04999	2.1
65.03934	3.4
67.05505	41.1
69.03429	13.9
69.06683	2.0
69.07063	25.5
70.06583	1.9
71.01338	2.1
71.04993	28.0
71.08621	1.7
71.53126	2.1
72.08144	4.7
75.04454	1.6
78.04728	1.9
79.05492	25.1
81.03427	15.4
81.07057	45.6
83.04978	16.0
83.08623	13.0
84.08138	3.0
85.02863	1.6
85.06537	7.2
91.05484	33.6
93.07045	61.4
93.07639	3.1
95.04973	37.4
95.08607	47.6
97.02871	2.9
97.06530	28.6
97.10190	4.2
97.10814	1.6
99.04459	29.2
99.08082	7.4
103.05463	4.7
105.07041	29.1
106.04159	1.9
107.04964	4.7
107.08594	33.3
108.08107	2.0
109.06508	18.4
109.10157	44.6
111.04401	2.6
111.08088	14.1
112.23930	1.6
113.06052	2.6
113.09637	4.8
115.05441	3.5
115.07578	2.7
115.88217	1.5
117.07018	5.2
117.11975	1.4
119.04946	1.8
119.08588	49.4
121.02872	1.7
121.06509	10.9
121.10147	30.2
123.04436	5.9
123.08068	46.8
123.11688	11.2
124.05208	2.3
125.05985	3.1
125.09634	57.8
128.00716	1.5
128.06215	1.6
129.06992	7.7
131.08553	8.3
133.02846	1.7
133.06491	3.5
133.10143	14.4
135.08060	2.6
135.11691	26.9
137.05952	8.6
137.09622	16.0
137.13269	3.5
139.07619	1.6
139.11185	39.2
141.05498	1.5
141.07005	2.7
141.09061	2.7
142.07771	2.0
146.07266	2.0
147.08098	3.9
147.11696	25.4
149.05989	7.1
149.09627	27.9
149.13252	3.1
151.03911	2.2
151.07530	5.0
151.11214	6.0
151.14778	2.5
152.04648	2.4
153.06976	6.4
153.12752	1.5
155.08521	13.3
155.10643	2.8
157.10097	6.1
163.14833	7.3
165.05644	2.8
165.07034	6.3
165.09094	2.3
165.12740	13.5
167.07047	56.0
167.10675	59.0
168.05745	2.1
168.07431	1.5
168.09354	1.8
169.10100	8.1
169.12215	4.7
175.11214	17.3
175.14848	10.6
179.07031	3.7
181.06534	2.6
181.08646	6.3
181.10080	2.0
183.08105	6.8
183.11690	4.2
193.04955	4.1
193.06779	3.2
193.08545	2.8
193.10150	4.5
193.12234	20.4
193.15921	7.7
196.05119	3.2
196.08826	4.3
196.12543	3.3
204.32062	1.6
211.07504	28.5
211.09464	2.5
211.11211	12.8
211.13274	12.1
211.14882	11.1
211.16946	14.2
212.07449	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	210.0761
Annotation	3-Carbamoyl-2-phenylpropionic acid
Peak:m/z	Relative Intensity
53.03961	0.5
55.01879	1.1
55.05509	0.8
57.61000	0.3
65.03945	1.3
67.05173	0.7
67.05508	7.3
69.07078	0.5
70.06594	1.9
70.38992	0.4
70.76212	0.4
70.76557	0.8
72.00879	35.0
72.08154	1.5
77.03912	0.5
79.05470	0.5
80.05016	0.3
81.03409	0.3
81.07110	0.7
81.66075	0.3
83.05001	0.6
90.01921	1.1
91.05480	10.5
91.06021	0.7
93.07042	5.0
94.07366	0.6
95.04971	15.1
95.06090	0.7
95.08608	0.7
96.08960	0.4
97.06513	0.7
99.26585	0.4
103.05470	5.0
105.03391	0.7
105.07034	0.8
107.04935	0.6
107.08582	0.6
108.08191	0.5
108.08936	0.5
108.22343	0.3
109.02883	0.7
109.06556	0.9
116.07050	0.8
117.05782	0.4
118.06537	1.9
119.04951	5.6
120.04488	0.6
120.05703	0.9
121.02866	1.0
121.06506	35.0
122.06838	0.4
122.10487	0.5
123.04425	0.5
128.05009	0.5
130.04126	0.5
131.04910	2.2
132.04451	0.4
133.02795	0.4
134.06097	0.4
134.10495	0.4
137.05960	1.3
138.56914	0.4
140.07014	0.5
146.06021	7.3
147.04413	56.9
147.05424	2.3
147.06844	1.8
148.05206	1.8
149.05968	1.3
150.02736	0.5
151.03989	0.5
151.11177	0.7
151.88986	0.3
152.04674	1.1
152.11591	0.5
156.04552	0.5
157.05267	1.1
159.04376	1.7
160.05208	0.4
161.05984	0.9
162.05505	0.6
164.07059	1.2
164.10710	0.6
165.05487	15.5
165.06874	0.9
166.05754	0.5
167.07050	1.2
168.14851	0.3
174.05510	7.5
175.06305	9.4
177.05444	0.4
184.43065	0.4
192.06557	100.0
193.05098	0.5
193.06947	1.3
193.13387	0.4
195.02390	0.9
210.04782	3.3
210.07626	8.8
210.11200	9.6
210.15617	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0761
Annotation	3-Carbamoyl-2-phenylpropionic acid
Peak:m/z	Relative Intensity
53.03927	0.9
53.55206	0.5
55.05490	0.6
56.28008	0.5
65.03928	0.8
67.05484	0.6
69.07076	0.9
69.83176	2.6
70.06586	2.7
72.00875	31.9
81.07063	0.5
84.08125	1.4
86.09686	0.9
90.01878	0.6
91.05477	10.1
93.07039	3.8
95.04961	2.5
95.06095	0.6
98.21469	1.2
98.88892	0.4
103.05459	4.7
105.03402	2.5
116.07054	0.6
118.06509	1.7
119.04931	5.6
120.05703	1.2
120.08134	0.9
121.02832	1.1
121.06499	32.6
130.04195	0.5
131.04910	2.1
136.07550	0.5
137.06006	1.3
146.06012	6.1
147.04405	53.6
147.06805	1.7
148.05142	2.4
149.05998	1.1
152.04660	0.6
153.14894	0.5
157.05244	0.7
159.04399	1.5
161.05977	1.1
162.05498	0.6
163.99861	0.5
164.07076	1.5
165.05473	15.4
166.12183	0.5
174.05510	7.6
175.06281	9.2
192.06546	100.0
193.07043	0.7
210.07578	9.7
210.11168	1.2
210.14937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03941	1.3
55.01874	5.8
55.05512	23.7
56.52547	0.3
57.03435	1.1
57.07085	2.8
59.04993	0.7
63.51319	0.3
65.03929	0.6
67.05506	12.6
69.03432	1.3
69.07066	3.6
70.27332	1.2
71.04982	1.4
71.08627	0.4
72.39185	0.3
79.05492	12.3
81.07058	18.5
82.07395	0.4
83.04983	100.0
83.08624	4.0
84.05298	0.6
85.06536	2.0
91.05486	5.9
93.07044	20.5
95.04977	2.4
95.08607	16.3
97.06538	1.8
97.10181	1.2
99.08083	1.0
100.17875	0.3
103.05452	0.9
105.07029	2.4
107.05009	0.8
107.08595	16.2
109.06516	2.4
109.10161	4.6
111.04433	0.7
111.08086	6.9
117.07037	1.6
119.08618	1.3
121.06510	2.2
121.10148	9.8
123.08063	0.8
123.11686	0.8
125.05994	0.9
125.09608	1.8
129.07018	0.4
131.08568	3.7
133.10132	1.7
135.08067	3.7
135.11679	1.7
137.09642	1.3
139.07555	1.1
145.10155	1.1
147.11699	1.5
149.05994	0.9
149.09641	2.7
149.13264	10.0
151.11206	0.8
153.05472	0.6
153.06981	0.4
153.09157	1.8
163.14825	7.2
163.61139	0.3
165.12833	0.4
166.07782	0.4
167.07037	0.7
167.08478	0.4
167.10696	0.8
167.14236	0.3
170.68088	0.3
173.13271	3.5
177.05490	1.3
179.08604	0.4
181.10104	0.7
181.15884	1.1
191.07027	0.6
191.14304	4.2
194.02055	0.4
209.04414	0.9
209.06255	0.4
209.08052	1.0
209.09825	0.7
209.11687	0.9
209.15367	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03941	3.3
55.01860	7.6
55.05511	67.0
57.03418	6.2
57.07067	5.6
59.04985	5.5
65.03936	2.8
67.05502	14.0
68.10040	1.7
69.03415	8.5
69.07069	16.0
70.06577	7.4
70.13072	2.2
71.05000	13.2
71.18565	2.0
71.18896	3.5
73.02895	1.8
79.05495	16.1
81.07059	38.1
83.04493	3.8
83.04982	73.8
83.08617	36.8
84.08147	2.1
85.02906	2.2
85.06532	7.3
91.05476	18.1
93.07050	33.5
95.04968	100.0
95.08604	22.0
97.06530	22.9
97.10166	5.6
99.04460	20.3
99.08070	3.2
103.05444	5.2
105.07024	16.4
106.04157	3.0
107.04954	6.9
107.08601	41.8
109.06519	95.3
109.09460	2.8
109.10154	31.2
111.08096	12.9
113.09670	4.1
117.07001	2.8
119.04956	3.6
119.08565	8.4
121.02833	2.1
121.06538	11.5
121.09334	3.4
121.10141	48.6
123.08060	12.4
123.11739	10.1
125.05989	3.7
125.07123	2.1
125.09634	13.7
129.10182	1.7
131.04976	3.2
131.08582	11.9
132.69182	1.8
133.10130	36.1
135.04410	3.9
135.08061	20.1
135.11652	7.3
137.09625	2.6
138.06700	2.0
139.07500	7.1
141.26024	1.8
145.10101	5.2
147.11699	5.7
148.05240	3.3
149.02368	4.3
149.04935	2.3
149.05998	13.0
149.09610	8.2
149.13252	16.5
151.11176	36.8
153.05412	4.6
153.09113	37.3
158.10858	3.4
163.03882	2.6
163.07506	2.6
163.11139	3.2
163.14867	15.3
167.07066	30.7
167.14311	53.0
173.09566	1.7
173.13268	17.0
177.05550	9.4
191.10675	4.0
191.14302	31.0
194.02052	10.8
209.04445	16.0
209.08070	18.3
209.11539	3.4
209.13490	3.7
209.15346	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.096
Annotation	1-Methoxyphenanthrene
Peak:m/z	Relative Intensity
55.01873	0.9
55.05519	0.2
56.46830	0.2
57.07080	0.4
62.53738	0.2
67.05504	0.5
69.07079	0.3
69.60899	1.4
72.61890	0.2
75.31190	0.2
79.05501	0.3
81.07059	0.6
83.04996	0.6
91.05498	0.6
93.07059	0.7
95.04966	0.6
95.08611	0.6
97.06527	0.2
103.05471	0.3
106.04226	0.3
107.08614	0.6
109.06521	0.5
109.10181	0.2
111.04519	0.4
117.03386	0.3
121.06512	0.6
121.10126	0.4
121.24076	0.2
123.11749	0.3
125.05982	0.2
126.01068	0.2
135.08054	0.3
135.11636	0.3
141.07022	1.5
145.02808	0.2
145.10100	0.2
147.04366	0.3
149.06006	0.6
149.09647	0.3
149.13206	0.3
151.11229	0.3
152.06223	0.7
153.06992	3.2
153.09016	0.3
165.06996	19.0
166.07784	27.2
167.08549	4.9
177.05492	0.4
178.07748	0.3
179.08539	5.3
180.09340	2.0
181.06625	0.5
181.10110	18.8
182.10495	0.6
188.09204	0.2
189.05409	0.2
189.07022	0.7
190.07770	0.9
191.07059	0.3
191.08557	1.7
191.10248	0.4
193.10172	0.3
194.07268	8.2
194.10916	2.7
195.07965	0.6
195.11584	0.4
208.08777	0.6
209.09612	100.0
209.13220	8.2
209.15280	2.0
210.09959	4.3
210.13655	0.3
229.61060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.092
Annotation	Kynurenine
Peak:m/z	Relative Intensity
53.03937	1.9
55.01874	5.0
55.05496	3.2
56.96552	4.0
57.03425	1.2
57.07058	0.9
61.02935	1.0
65.03932	1.6
67.05504	4.4
68.99755	0.8
69.03415	3.9
69.07059	2.3
70.06593	11.1
70.34163	3.0
71.01334	1.4
71.04987	2.1
72.08136	2.8
74.02039	1.7
74.02435	23.8
79.05482	4.1
81.03402	3.0
81.07040	4.2
83.04961	2.8
83.08617	1.3
84.04476	3.1
84.08139	9.2
85.02895	2.3
85.06534	1.1
86.09697	3.5
88.03972	3.3
89.03874	1.5
91.05466	14.0
92.04983	2.5
93.07039	6.5
94.06566	100.0
95.04961	5.5
95.06010	1.0
95.08586	3.2
97.02897	1.5
97.06523	2.1
98.21414	1.0
98.97572	2.6
99.00806	13.3
103.05472	7.4
104.04974	8.1
105.07032	2.0
106.04123	1.4
107.04922	2.4
107.08595	4.7
109.06500	2.6
109.10123	1.3
110.07181	2.5
111.08051	1.0
116.03474	1.1
116.98601	1.8
117.03352	1.9
118.06538	38.4
119.04926	2.9
120.04466	36.2
120.05335	0.9
120.05724	1.2
120.08096	1.7
121.02859	3.3
121.06509	11.7
121.10166	3.7
122.06014	1.2
123.04404	1.9
123.89943	1.0
123.97423	1.1
125.05971	1.3
125.09592	1.5
127.03906	0.9
128.02280	1.2
129.10188	0.9
131.04910	6.9
132.04437	15.6
133.06442	1.1
133.10167	1.3
134.03603	3.8
135.04378	3.2
135.08067	2.0
136.07576	34.7
139.07430	0.9
139.11168	1.1
145.02861	1.8
145.10126	1.8
146.06003	82.5
147.04407	2.9
147.06361	1.0
148.05174	3.5
148.08757	0.9
149.02322	2.0
149.05974	15.1
149.09578	2.6
149.13237	1.4
150.05513	19.4
150.06650	1.7
151.11143	1.6
153.09166	1.4
159.04401	3.2
163.03923	3.9
163.07527	1.6
163.08669	8.4
164.07013	5.0
165.05530	1.0
166.06265	1.1
167.07022	1.8
170.84322	1.0
173.13216	0.9
174.05501	30.3
175.11880	1.8
176.04666	1.4
177.05470	24.9
179.05219	1.1
181.09793	1.4
189.05943	3.3
191.07008	3.1
191.10710	1.0
191.14319	2.6
192.06551	39.2
192.10129	1.5
197.38770	0.9
198.06517	1.7
209.02730	1.8
209.04517	3.3
209.07800	9.9
209.13416	1.5
209.15320	12.0
228.59042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03940	1.8
54.03459	2.0
55.01881	2.1
55.05509	8.1
56.05013	2.6
57.03434	5.5
57.07067	4.1
59.06135	1.7
65.03924	1.6
67.05505	13.7
67.09824	1.4
68.05016	3.2
69.04558	1.8
69.07068	11.7
70.06602	3.4
70.95312	2.1
70.95662	2.2
71.04997	2.2
72.08140	2.1
75.67439	1.5
79.05492	13.8
81.01247	1.2
81.04537	2.7
81.07053	21.4
82.06570	2.3
83.04984	4.6
83.06115	3.3
83.08608	4.1
85.06544	4.4
85.07658	1.5
91.05476	19.3
93.07047	33.9
95.04940	3.7
95.06091	2.9
95.08607	28.5
97.06528	2.0
97.07643	4.9
98.07161	2.6
105.03382	4.0
105.07030	27.2
106.06549	1.5
107.06095	2.0
107.08596	70.6
108.05643	1.7
109.06522	5.1
109.07613	6.7
109.10159	14.2
110.07162	5.1
111.08060	3.8
111.09173	3.1
112.08726	3.2
115.96414	3.8
117.07115	1.9
119.04939	3.1
119.08582	42.1
121.06406	1.5
121.10139	12.0
122.07172	3.8
123.06670	2.4
123.08067	10.1
123.09214	3.5
123.11701	7.0
124.08736	3.6
125.07066	1.6
127.07548	4.1
131.08582	4.2
133.10130	42.1
133.97466	4.6
135.04428	1.4
135.11693	100.0
137.08165	1.8
137.09644	12.3
138.10252	2.3
145.10172	3.0
146.03609	3.0
146.10985	1.9
147.04402	4.2
147.11687	26.3
148.08662	4.3
149.06023	1.9
149.08261	2.4
149.09717	3.0
149.13251	11.4
150.10213	2.7
151.07613	1.7
151.11172	14.4
161.13286	7.6
161.14461	1.6
163.14824	12.3
164.11890	2.8
165.07697	2.2
165.09035	2.0
165.11357	5.2
165.12645	2.6
166.10893	2.4
169.73567	1.4
169.75142	1.6
174.03156	1.6
179.06854	1.4
189.12738	4.2
189.16386	79.0
192.04141	3.7
207.06590	13.0
207.10274	2.8
207.12341	5.1
207.13875	5.2
207.15631	3.2
207.17468	57.4
208.15584	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
52.94775	1.4
53.03938	2.9
55.05510	9.6
57.03423	5.8
57.07058	6.6
64.17809	1.6
65.03932	2.1
67.05516	13.1
69.07063	13.5
69.46231	11.8
71.04982	3.3
73.02887	1.7
79.05494	12.0
81.07065	25.2
83.04966	6.5
83.08607	3.9
84.15084	1.3
85.02877	2.5
85.06530	6.2
90.18353	1.5
91.05485	32.9
93.06480	2.4
93.07043	35.8
95.04978	3.7
95.08612	34.6
97.06547	2.6
98.05328	1.4
98.21520	1.7
99.07999	2.4
103.05446	1.7
105.03381	4.7
105.07036	33.4
107.08597	71.9
109.06522	6.3
109.10168	19.5
111.08070	4.3
115.96419	2.5
117.07000	2.6
118.04132	2.8
119.04943	18.5
119.07727	2.5
119.08584	49.0
120.08029	2.3
121.02815	1.7
121.06474	2.1
121.10152	15.3
123.08073	11.7
123.11709	12.6
125.57871	1.5
127.07504	2.7
131.08559	4.2
133.10138	50.5
133.97542	1.8
135.04387	2.0
135.11697	100.0
137.09615	10.4
145.10121	4.7
146.03462	1.5
147.04416	13.5
147.08067	2.7
147.11693	42.3
149.02283	3.3
149.09662	1.9
149.13261	12.8
151.07550	3.3
151.11163	20.2
156.09302	2.2
161.09641	2.7
161.13213	10.0
163.03879	2.4
163.14812	14.3
164.04587	2.1
165.12729	3.8
174.02995	1.4
175.03905	15.7
179.07051	2.6
189.12776	5.3
189.16389	88.3
191.03395	1.5
192.04147	9.0
192.09477	1.7
207.06548	18.2
207.09926	2.2
207.12009	2.6
207.14015	10.0
207.17445	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02370	1.4
53.03950	7.0
55.01848	2.4
55.05274	0.9
55.05511	9.7
57.03407	1.2
57.07052	2.6
65.03939	4.0
67.05506	31.6
69.03394	0.8
69.07063	16.1
69.34850	7.1
69.42056	0.9
70.05961	0.8
70.66133	0.8
71.04977	3.3
71.08582	0.8
73.06544	1.4
77.03905	1.5
78.63384	0.8
79.05491	48.0
80.05827	1.3
81.03389	2.3
81.07055	31.7
83.04967	5.0
83.08627	6.9
85.02893	1.8
85.06536	2.7
91.05480	66.5
92.05805	1.1
93.07041	100.0
94.07385	1.2
95.04970	18.4
95.08612	19.6
95.79498	0.7
97.06535	6.5
97.10166	4.5
101.05959	0.8
103.05441	1.5
105.03375	2.7
105.04498	3.0
105.07033	27.7
107.04950	2.3
107.08599	15.9
109.06507	5.9
109.10155	14.0
111.04433	2.0
111.08085	1.3
115.96423	3.3
116.97201	1.5
117.06989	5.3
118.04115	1.5
119.04937	15.7
119.08574	22.8
121.06490	3.7
121.10131	5.7
123.04465	1.7
123.08050	7.1
123.11694	12.2
125.05974	1.3
125.09600	1.7
127.07576	1.4
128.06209	1.3
129.07005	9.7
131.08551	2.8
133.10143	15.7
133.97459	2.9
135.04390	2.1
135.08037	1.7
135.11638	1.5
136.05180	1.5
137.05975	1.7
137.09624	1.9
141.06947	0.9
143.08543	6.4
145.10118	9.0
146.03600	2.5
147.04416	12.2
147.08049	3.9
147.11684	58.6
149.02342	2.8
149.09547	2.3
149.13248	2.0
151.07558	3.6
151.11142	1.4
156.09337	1.1
156.98982	0.9
161.06635	1.0
161.09605	4.7
161.13252	12.7
163.03882	2.6
163.11156	1.8
164.04684	2.7
165.09056	1.2
165.12747	0.9
171.10289	1.6
171.11693	22.8
174.03119	1.0
175.03894	12.2
178.07701	1.0
179.07426	2.9
179.14265	0.9
179.17896	1.5
184.00183	1.2
184.08180	2.6
189.09120	1.2
189.12741	14.3
189.16409	8.9
191.03481	1.1
192.04240	5.0
192.09331	1.8
202.09265	3.3
207.02811	1.0
207.04588	1.5
207.06512	20.3
207.08406	1.0
207.09914	2.5
207.11742	2.8
207.13780	28.2
207.17430	30.4
208.17722	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.31464	0.6
51.02372	1.2
53.03950	7.7
55.01864	1.1
55.05510	7.2
62.30941	0.7
65.03937	2.1
66.81295	0.7
67.05509	22.7
69.07066	5.5
71.04986	1.8
72.54343	0.6
77.03944	1.7
79.05495	46.4
81.03429	1.3
81.07062	20.5
83.04985	3.0
83.08620	2.0
85.06542	2.4
91.04641	0.9
91.05484	52.6
93.07046	100.0
94.07397	0.9
95.04974	14.3
95.08605	8.5
97.06566	1.3
97.10192	1.5
99.08134	0.7
103.05510	1.1
105.03420	1.3
105.04530	3.3
105.07037	26.4
106.58336	0.7
107.04953	1.1
107.08594	8.5
109.06529	3.6
112.19218	0.7
117.07017	5.8
118.04179	0.9
119.04959	5.8
119.08575	15.1
121.06503	1.7
121.10160	2.6
123.08080	3.0
128.06244	1.8
129.07005	9.0
130.07587	0.8
131.08598	1.3
133.06558	1.1
133.10146	6.0
135.04420	0.8
135.11723	0.7
141.08977	0.8
143.08578	5.7
145.10132	6.8
147.04430	4.7
147.08015	2.1
147.11690	50.7
148.11966	1.4
149.02399	1.6
151.07535	0.9
156.09325	0.8
160.22408	0.8
161.09610	3.4
161.13268	7.3
163.03932	1.4
164.04720	1.8
171.11691	20.1
174.03154	1.0
175.03940	3.5
179.07076	1.7
189.12740	9.4
192.04222	2.3
207.06595	5.4
207.13817	18.8
228.56276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	4-(3-Methoxy-4-hydroxy)phenyl-3-methyl-3-buten-2-one
Peak:m/z	Relative Intensity
51.02372	0.4
52.18208	0.3
53.03944	1.6
55.01875	1.7
55.05498	0.3
56.96565	0.7
57.03440	0.4
57.07077	0.9
58.11253	0.2
59.04998	0.3
65.03944	1.2
67.05503	2.6
69.03448	0.2
69.07066	0.4
70.65900	0.7
71.04993	1.3
73.06556	1.5
76.15791	0.3
77.03939	0.9
79.05495	11.7
81.03413	0.5
81.07053	0.9
85.06548	3.4
89.03936	0.5
91.05485	7.2
93.03381	0.3
93.07048	0.6
95.04962	2.9
95.08647	0.4
103.05486	0.9
105.03403	1.7
105.04467	0.5
105.07034	2.6
107.04958	5.9
107.08637	0.5
109.02858	0.3
109.10168	0.3
117.03423	0.3
117.07029	0.6
118.04219	0.3
119.04943	3.5
119.08587	1.8
121.06484	0.3
123.04427	18.2
128.06253	1.9
129.07030	0.5
131.08588	0.3
133.06500	0.8
133.10121	1.5
135.04414	100.0
136.04787	1.1
137.05986	1.1
143.08551	1.7
145.06477	0.4
146.03656	0.4
146.07300	0.5
147.03249	0.5
147.04413	9.6
147.08046	13.4
149.02403	0.4
149.05994	0.5
151.03949	0.2
153.05472	0.6
157.05185	0.5
161.09613	4.8
164.04646	0.2
165.05507	0.5
168.37219	0.2
171.08043	3.5
174.06779	1.0
175.03925	1.4
176.07030	0.4
179.07133	0.3
183.06721	0.6
189.09109	18.6
192.04150	0.8
207.06538	2.3
207.10167	34.2
208.10518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	4-(3-Methoxy-4-hydroxy)phenyl-3-methyl-3-buten-2-one
Peak:m/z	Relative Intensity
53.03942	1.8
55.01881	1.5
55.05510	0.6
56.96570	0.6
57.07079	1.0
59.04985	0.7
64.81329	0.3
65.03934	0.9
66.93333	0.3
67.05508	3.2
69.03410	0.6
69.07044	0.4
70.14999	0.3
71.04991	1.4
71.37514	0.3
71.51573	0.5
73.06558	1.1
77.03915	0.7
79.05495	11.9
81.03439	0.4
81.07054	0.6
85.06545	2.9
89.03915	0.8
91.05483	9.6
91.12902	0.3
93.07052	0.7
95.04959	3.6
95.08605	0.7
97.06551	0.3
103.05469	0.7
105.03365	0.9
105.07020	3.5
106.07297	0.3
107.04962	6.3
107.05638	0.6
107.08603	0.5
109.02839	0.6
109.06531	0.9
109.10144	0.4
115.96468	0.3
117.03371	0.4
117.07005	0.7
119.04944	5.1
119.08580	2.5
120.78669	0.3
121.10203	0.5
123.04433	18.1
123.08051	0.5
123.11712	0.3
125.05993	0.3
128.06264	1.8
129.06970	0.4
131.04909	0.5
131.08553	0.4
133.06500	0.6
133.10133	1.3
135.04416	100.0
136.04774	0.9
137.05972	1.0
143.08534	1.8
145.06535	0.4
146.03651	0.8
146.07257	0.5
147.04417	10.5
147.08044	10.8
147.11717	0.9
149.05995	0.6
149.09634	0.5
151.07542	1.2
153.05403	0.7
161.09616	4.1
163.03909	0.6
163.07547	0.5
164.04732	0.9
165.05414	0.9
165.12816	0.4
171.08052	4.0
174.03130	0.5
174.06773	0.9
175.03877	3.0
179.07146	0.5
188.62260	0.4
189.09113	16.7
189.12727	0.7
189.16405	0.5
190.09407	0.3
192.04156	1.7
207.06717	5.2
207.10170	34.5
207.13695	1.3
207.17429	0.8
208.10533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02394	1.1
52.42810	0.5
53.03922	0.9
55.05501	1.1
60.87875	0.7
65.03935	8.2
66.05903	0.6
66.55830	0.5
67.05511	1.7
69.03418	2.7
69.07061	1.0
72.46319	0.6
73.06178	0.6
75.02380	1.1
76.03165	1.1
77.03929	2.7
79.05487	2.9
80.06248	0.9
81.07011	1.3
83.04972	1.2
89.03915	5.3
90.04688	1.6
91.05481	100.0
92.05814	1.1
93.03402	0.7
93.07037	1.4
95.04961	2.0
95.08595	1.1
102.04545	0.6
103.05469	2.0
104.02606	1.6
104.05804	0.8
105.03391	2.5
105.07030	5.0
107.04945	2.5
107.08592	2.3
108.05760	1.2
109.06501	2.0
111.08064	0.8
117.03373	1.5
117.07006	1.1
118.04160	7.9
119.04942	86.4
119.08572	2.6
120.05259	1.6
120.08109	2.0
121.02872	2.4
121.06459	0.8
121.08457	4.1
121.10153	2.0
122.03646	1.1
123.04447	1.1
123.08066	1.5
128.30734	0.6
129.03346	1.8
129.04427	1.2
131.04907	0.7
131.08554	0.7
132.02065	9.7
133.02792	0.8
133.06487	2.2
133.10083	0.9
134.03661	1.0
135.04388	3.2
136.05220	3.3
137.09615	0.7
145.02821	2.7
146.03613	5.3
147.04408	72.4
147.11673	3.4
148.04774	1.2
149.02354	11.7
149.09583	0.7
151.07544	1.0
156.09326	0.6
157.03967	6.6
161.13257	1.7
162.03146	1.6
163.03879	1.8
164.04723	4.5
171.11661	1.0
174.03172	3.8
175.03908	86.3
176.04311	1.4
177.01828	1.8
177.12746	0.6
179.07025	7.2
189.05455	6.1
189.12689	1.2
192.04161	15.2
207.06525	39.0
207.13834	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	207.0651
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
51.02380	1.5
52.79973	0.5
53.03954	1.4
55.01884	0.6
55.05500	0.7
60.35425	0.6
63.02359	0.9
65.03934	9.0
66.04719	0.7
67.05499	1.1
68.99742	0.6
69.59296	2.3
69.59724	2.1
72.30199	0.6
76.03139	1.2
76.31129	0.6
77.03931	2.3
79.05501	2.5
80.06268	1.0
81.07082	1.5
84.08103	0.6
85.02924	1.8
89.03916	4.8
90.04702	2.0
91.05484	100.0
92.05817	1.8
93.07037	1.0
95.04976	2.9
95.08617	1.0
103.05482	3.7
104.02618	1.6
104.05791	3.4
105.03400	7.6
105.04499	0.9
105.07012	3.3
106.03710	2.0
107.04957	2.3
107.08618	1.7
108.05740	1.5
109.06512	1.1
109.10107	0.7
112.11212	1.2
117.03393	1.0
118.04160	7.7
118.06577	1.3
119.04944	92.3
119.06707	3.1
119.08576	2.4
120.05251	0.6
120.08105	8.3
121.02880	2.8
121.06535	0.7
121.08451	17.7
121.10158	1.5
122.03682	1.1
123.08050	1.7
123.11735	1.0
129.03369	2.0
129.04404	0.7
129.13887	1.2
131.04903	0.9
131.08606	0.7
132.02068	8.6
133.02858	1.7
133.10155	0.9
134.03659	0.9
135.04449	4.8
136.05215	3.1
137.06068	0.7
145.02856	3.7
146.03636	8.2
146.06058	0.8
147.04411	76.9
147.06339	4.0
147.11687	2.6
148.04755	1.9
149.02350	11.9
149.09630	2.8
150.03134	1.4
152.72816	0.7
157.03964	6.9
158.03374	0.7
160.01523	1.1
161.13268	1.3
162.03159	1.7
162.09128	1.5
163.03929	1.6
163.11169	0.8
164.04688	5.4
174.03137	6.6
175.03911	99.1
176.04297	2.1
177.01801	1.6
177.05534	0.6
178.79156	0.7
179.07001	8.5
183.94673	0.6
189.07393	2.1
189.12732	2.1
192.04178	17.0
207.06538	46.6
207.13791	5.2
212.56584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02383	1.2
53.00305	0.5
53.03937	0.7
55.01866	1.1
55.05517	0.6
63.02384	0.6
65.03936	8.9
67.05511	0.9
68.07058	0.5
69.03418	0.7
69.07059	1.3
71.05002	0.5
76.03168	0.6
77.03939	2.7
79.01851	0.5
79.05489	2.4
80.06265	1.7
81.07072	1.4
85.02888	1.3
89.03912	4.6
90.04693	2.1
91.05480	100.0
92.05801	1.2
93.03388	1.2
93.07063	1.2
95.04969	2.3
95.08585	1.3
98.20695	0.8
103.05467	1.7
104.02599	1.7
105.03395	4.1
105.07030	2.1
106.03651	0.5
106.04262	0.6
107.04960	1.8
107.08590	2.2
108.05740	1.4
109.06514	1.7
117.03403	1.0
118.04160	7.7
119.04939	90.5
119.08573	2.8
120.05295	1.4
121.02885	2.7
121.06527	1.1
121.10136	1.5
122.03677	0.9
123.08086	1.2
123.11712	0.5
127.46045	0.5
128.06245	0.6
129.03352	1.8
129.04454	1.2
131.04887	0.8
131.08553	0.9
132.02063	9.0
133.02855	2.1
133.10162	0.8
134.03665	0.7
135.04364	3.9
135.08031	0.6
136.05180	2.8
137.05969	0.9
145.02899	2.5
146.03624	6.1
147.04408	66.0
147.11671	1.4
148.04802	1.7
149.02328	11.4
149.09596	3.5
150.03122	1.5
151.03993	0.7
151.07568	0.6
157.03984	6.8
160.01523	1.1
161.13249	1.1
161.63858	0.5
162.03148	1.3
163.03900	0.7
163.11163	1.2
164.04723	5.7
165.12749	2.2
166.14861	0.6
171.11745	0.7
174.03146	6.0
175.03905	75.9
176.04312	2.0
177.01857	1.4
178.02576	0.7
179.07037	7.8
189.12744	1.4
192.04163	17.8
207.06535	36.7
207.13791	5.3
208.06999	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
51.02380	1.0
53.00301	0.8
53.03946	1.1
53.75935	0.6
55.01851	0.8
65.03938	8.1
67.05472	0.6
69.07068	0.7
76.03127	0.8
77.03919	2.3
78.04725	0.7
79.05487	2.3
80.06287	1.1
81.03358	0.7
81.07060	0.7
89.03914	5.0
90.04711	0.9
91.05482	96.6
92.05832	1.5
93.03424	0.7
93.07040	1.2
95.04956	2.4
95.08587	0.8
101.03957	0.9
103.05460	3.0
104.02633	1.4
105.03394	2.6
105.07034	2.0
107.04958	2.6
107.08562	0.8
108.05735	1.8
109.06519	1.6
117.03377	1.5
118.04160	7.8
119.04942	100.0
119.08582	2.0
120.05276	1.4
121.02895	3.1
121.06513	1.1
122.03692	1.0
123.08035	0.9
129.03358	2.2
129.04430	1.0
131.04886	0.7
131.08546	0.6
132.02072	8.1
133.02834	1.2
133.10173	0.9
134.03627	1.5
134.55420	0.6
135.04419	4.0
136.05237	3.0
145.02893	3.0
146.03645	6.5
147.04410	81.6
147.11688	1.5
148.04773	1.4
149.02353	11.4
149.09584	1.2
150.03070	1.6
151.07494	1.3
157.03979	7.2
160.01662	0.7
161.13269	2.9
162.03056	1.1
163.03908	2.4
164.04697	7.0
165.12796	1.1
171.11714	0.8
174.03178	5.3
175.03911	96.3
176.04308	2.8
177.01755	1.6
177.05389	0.7
178.02531	0.9
179.07030	10.0
189.12703	1.7
192.04170	17.2
207.06525	45.6
207.13773	5.1
208.06847	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
53.03941	0.7
55.01874	0.2
58.06588	0.4
59.38491	0.2
65.03938	0.8
68.99789	0.4
69.36692	1.5
70.02955	1.1
72.08148	0.8
77.03919	0.8
79.05476	0.3
84.08147	1.4
85.02883	0.5
87.00820	2.5
89.03920	0.4
91.05473	9.1
93.07037	2.2
95.04955	1.9
95.31470	0.2
102.85683	0.2
103.05460	13.9
104.05836	0.2
105.03389	17.7
105.04531	0.8
105.07025	0.4
106.03748	1.0
112.11235	2.9
117.06994	0.2
118.04193	0.4
118.06538	16.7
119.04930	7.2
119.06872	0.4
119.08624	0.3
120.08097	100.0
121.02859	0.2
121.08434	1.4
123.11725	0.2
128.04967	1.7
129.13887	2.3
131.08551	0.3
132.02077	0.7
132.03123	0.2
134.05952	0.3
135.04385	0.2
145.06468	0.3
146.05998	15.6
147.04407	5.5
149.02347	0.8
149.09583	0.3
157.03914	0.5
159.07826	0.2
160.08401	0.6
162.09114	4.6
163.09436	0.4
164.04608	0.4
173.09160	0.4
174.03094	0.4
174.05486	0.3
175.03909	6.8
178.05038	0.3
179.06978	0.7
188.07059	11.3
188.11499	1.8
189.07370	0.3
191.05763	1.0
192.04178	1.2
206.08115	7.0
206.15373	0.3
206.56551	0.2
207.06528	3.2
207.13783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
51.42339	0.2
51.42586	0.3
53.03932	1.1
58.06599	0.6
65.03922	1.0
68.99783	0.5
69.71777	1.2
69.72209	0.5
70.02935	0.7
72.08144	0.5
76.03128	0.2
77.03893	0.4
78.04703	0.3
78.96131	0.3
84.06735	0.2
84.08128	0.9
87.00823	2.0
91.05475	9.4
93.07043	2.6
95.04967	1.7
103.05461	15.4
105.03388	12.2
105.04118	0.4
105.04469	0.5
106.03716	0.4
109.06589	0.3
112.11241	2.5
118.04198	0.4
118.06537	17.7
119.04933	6.5
119.06824	0.4
120.08095	100.0
121.08433	1.4
128.04950	1.7
129.13887	1.6
132.02052	0.8
135.04417	0.2
145.06451	0.4
146.03665	0.5
146.05997	16.6
147.04398	6.0
147.06226	0.4
149.02335	1.0
150.03041	0.4
157.03914	0.3
160.07573	0.4
162.09116	3.2
163.09479	0.3
164.04633	0.6
168.28087	0.3
173.09085	0.2
174.03139	0.4
174.05504	0.4
175.02342	0.4
175.03893	8.0
179.06996	0.7
188.07059	10.6
188.11511	0.6
189.07532	0.3
191.05725	0.6
192.04193	1.3
201.19432	0.3
206.08107	5.9
206.09868	0.5
207.06512	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	206.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	1.8
56.96566	48.5
57.07079	2.1
58.99857	2.3
69.07055	2.2
71.50786	2.1
71.95258	4.2
71.97613	2.6
74.97606	2.7
77.00898	3.3
79.05492	2.2
92.32324	1.7
97.07660	3.3
97.10174	2.0
98.97591	29.3
100.02467	4.7
101.00903	11.4
101.02493	1.8
102.02259	1.9
104.90802	2.2
113.98597	1.9
116.98628	29.6
118.03497	4.4
119.01923	94.9
120.02045	8.3
121.01656	13.4
121.03522	2.5
121.10107	2.0
124.02437	3.7
133.03441	1.8
134.99678	34.5
137.02962	60.3
138.03026	5.6
139.02643	8.1
141.05080	8.3
142.03502	100.0
143.03671	8.1
144.03229	9.7
146.91856	3.7
149.01205	3.4
149.02324	2.6
150.00787	1.9
150.02695	4.1
153.00764	9.3
156.00302	1.9
158.01210	3.5
159.05002	2.3
159.06149	10.6
160.04552	55.9
161.03094	2.7
161.04677	3.2
162.04308	5.6
164.92854	3.4
165.05112	11.2
169.78375	2.0
173.01208	2.9
174.00919	1.8
177.00957	8.1
178.01082	3.5
178.03804	6.1
178.06218	2.2
179.00711	8.3
181.99695	2.4
182.93925	2.5
182.99629	6.5
183.01311	3.3
183.03325	1.5
183.04945	4.1
183.06212	44.8
183.08594	2.0
184.04527	1.9
184.06177	1.8
188.99139	7.6
189.11221	2.1
191.14276	4.7
191.49525	2.9
191.99585	3.4
192.49541	2.4
192.98653	4.2
193.98770	1.9
194.98563	3.0
200.49985	18.4
200.98779	2.4
201.00653	35.3
201.02466	11.9
201.04236	3.8
201.07405	17.2
201.09558	10.3
201.49765	2.8
206.07994	2.2
206.14120	2.2
214.95663	2.6
219.01762	13.7
219.03543	5.2
219.05321	1.9
219.10786	4.4
224.02155	3.4
224.04079	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	206.0448
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
58.06602	3.6
59.06934	0.9
59.78518	0.2
64.31281	0.2
66.45848	0.2
66.96474	0.2
67.05486	0.3
70.86113	0.5
81.07059	0.3
84.04565	0.2
91.05490	0.5
94.23197	0.2
101.01620	0.2
104.04990	0.8
119.04950	0.3
120.08102	0.3
120.08891	0.2
132.04451	26.2
132.08127	0.7
133.04774	0.9
133.08420	1.3
143.06868	0.6
146.10486	0.2
147.04431	0.4
150.02698	0.3
150.06406	0.3
160.03900	0.8
160.07556	1.8
160.12001	0.6
161.07921	7.0
175.03821	0.3
178.04990	100.0
179.05305	0.9
206.04483	56.4
206.13773	4.7
207.04749	1.0
207.06549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0447
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
50.16864	0.2
68.99767	0.2
70.71786	0.4
74.59509	0.2
91.05495	0.3
94.32664	0.2
95.89891	0.2
104.04990	0.7
105.03377	0.2
132.04442	26.5
136.03931	0.2
150.02721	0.2
160.03970	0.6
160.12141	0.2
165.98547	0.2
178.04977	100.0
179.05371	1.0
188.09161	0.2
206.04472	51.5
207.04791	1.0
218.25534	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03931	2.4
54.03459	3.6
55.05511	36.5
56.05025	9.8
57.07071	22.5
58.06599	4.0
59.06118	3.5
65.03934	4.9
67.02984	2.5
67.05502	26.4
68.05018	9.0
69.04561	3.0
69.06735	3.8
69.07075	50.1
70.06584	7.1
70.58517	6.0
70.58864	4.3
72.93783	10.7
78.21897	2.6
79.05486	12.2
80.05015	3.8
81.04538	9.2
81.07054	25.3
82.06572	3.6
83.06102	8.2
83.08605	26.0
85.02917	5.3
86.35092	2.3
90.94846	3.1
91.05460	12.1
93.07049	48.3
94.04117	2.6
94.06580	4.1
95.04937	4.3
95.06120	13.3
95.08604	54.0
96.05601	3.2
96.08191	3.3
97.02880	3.5
97.07648	7.4
97.10144	15.6
98.07169	7.6
103.05466	4.0
105.07014	15.2
107.08596	73.1
108.08134	3.8
109.02868	2.6
109.07628	10.3
109.10155	100.0
110.07153	9.7
110.10542	3.4
111.07973	4.2
111.09212	4.5
111.11708	11.5
112.08697	3.5
113.96401	18.7
117.06999	3.4
119.08585	8.9
121.02877	9.8
121.06517	4.5
121.07607	5.9
121.10141	67.6
122.07146	12.2
123.06689	3.8
123.07964	4.7
123.09187	11.1
123.11705	24.6
124.08711	5.8
131.08623	2.9
131.97440	17.1
133.07591	3.2
134.07176	4.6
135.06610	4.4
135.11693	86.7
136.08717	8.3
137.08211	4.7
138.10248	4.0
145.10124	6.5
146.07147	5.6
147.06671	3.6
147.09146	4.5
148.08681	4.9
149.02336	82.0
149.08188	3.1
149.13257	53.3
150.02693	4.3
150.10252	4.8
151.09747	3.4
154.99013	8.7
159.11749	7.5
161.08107	3.7
162.07764	4.0
162.10287	3.3
163.03851	3.4
163.07443	2.8
163.09792	16.8
163.11075	6.1
163.14839	13.2
164.08173	3.2
164.09309	13.6
164.11891	7.7
165.07698	3.6
165.11172	3.5
165.12607	4.3
177.12793	3.1
178.10916	4.5
187.09753	3.0
187.11215	3.0
189.11365	6.1
205.04887	8.2
205.08398	3.2
205.12119	26.8
205.14389	18.9
205.16154	3.8
205.19542	69.0
206.10191	5.7
206.12042	4.7
206.14001	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	205.1952
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03929	3.1
55.05513	38.4
57.07069	11.1
65.03937	3.3
67.05512	36.7
69.03427	4.4
69.07069	42.1
69.45699	20.4
72.93793	2.9
75.01884	2.2
77.63379	2.6
79.05499	27.5
81.03429	4.3
81.07061	71.8
83.08632	20.0
85.02920	5.3
91.05475	15.2
93.07044	72.0
95.05004	3.4
95.08610	100.0
97.02868	3.1
97.10171	24.0
103.05482	3.5
105.07034	12.6
107.08598	77.2
109.10160	89.6
110.10473	3.2
111.11721	9.8
113.96398	6.1
117.07037	4.1
119.08544	5.9
121.02879	9.0
121.03939	3.1
121.06535	4.5
121.10148	70.7
123.11711	35.8
131.08575	4.9
131.97440	6.5
133.10089	3.3
135.08028	2.6
135.11691	66.1
137.13242	3.9
145.10117	7.2
149.02342	60.3
149.06015	2.9
149.13258	82.7
150.02684	2.8
159.11703	8.2
163.14841	10.9
177.12720	2.7
177.16347	2.8
187.11218	4.7
187.14818	4.6
205.04887	3.5
205.08658	5.7
205.12164	12.4
205.14108	4.6
205.15880	7.7
205.19542	83.2
206.19969	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03951	1.9
55.05507	19.8
57.07078	12.0
65.03935	1.9
67.05182	2.1
67.05509	29.6
69.03416	2.4
69.06731	2.7
69.07069	36.5
70.73308	5.3
71.08648	1.6
72.93768	2.1
76.54585	1.5
79.05494	17.7
79.93552	1.6
81.07056	68.3
83.08623	13.7
85.02895	2.3
91.05442	8.7
93.07043	52.5
95.04976	2.3
95.08607	64.8
96.08927	2.6
97.10190	14.2
99.08086	2.9
105.07046	8.4
107.08588	58.5
109.10157	100.0
111.11708	5.5
113.96341	2.9
117.07047	1.8
119.08582	6.8
121.02887	4.1
121.06482	2.0
121.10143	96.7
122.10445	2.9
123.11709	23.1
123.24151	1.7
131.08539	2.4
131.97429	4.2
133.10149	3.8
135.08072	2.0
135.11696	41.7
137.13268	3.5
145.10123	7.4
147.11679	3.6
149.02335	40.1
149.13264	70.7
150.13620	2.1
151.13081	1.8
159.11665	3.4
161.13234	1.9
163.03999	2.2
163.14796	12.7
176.09581	1.9
177.12738	1.5
177.16385	3.9
187.14830	4.4
196.30086	1.5
205.04924	3.5
205.12337	3.7
205.15909	14.6
205.19516	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	205.1951
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
52.30416	0.7
55.05510	9.1
57.07079	4.1
61.14476	0.9
67.05505	6.8
68.62466	0.7
69.07064	16.3
69.85177	2.5
69.85571	1.7
70.02134	0.8
71.08633	1.4
73.48093	0.8
77.83677	0.9
79.05484	10.4
81.07056	55.4
83.08618	5.6
91.05463	5.8
93.07043	50.1
94.07429	1.1
95.05016	1.4
95.08606	24.4
97.10175	5.0
98.20763	1.6
105.07019	4.5
106.97353	0.8
107.08591	27.6
109.06527	0.8
109.10155	20.5
111.11716	2.1
119.08535	1.5
121.10142	100.0
122.10485	2.4
123.11705	8.5
135.11681	15.7
137.13185	0.9
149.02327	8.1
149.13260	38.5
150.13667	1.0
163.14842	2.9
164.91940	0.9
182.03098	0.9
205.04987	1.3
205.19502	20.1
219.42238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.05511	15.0
57.07076	5.1
59.14045	0.7
65.03946	1.2
67.05505	12.2
69.07068	25.5
69.27056	7.4
69.86325	0.7
71.08633	2.1
77.03910	0.7
79.05489	14.3
81.07057	51.8
82.07388	0.9
83.08620	9.7
88.63784	0.6
90.23293	0.7
91.05470	7.0
93.07043	56.5
95.04971	1.7
95.08608	39.3
96.64024	0.7
97.10171	9.4
98.46806	0.7
105.07031	5.5
107.08593	44.5
109.06548	1.0
109.10159	35.3
111.11738	3.6
119.08593	1.2
121.10145	100.0
121.50721	0.8
122.10477	1.8
123.11698	15.0
130.78293	0.8
135.11693	34.9
137.13290	1.6
149.02353	1.8
149.13254	60.4
163.14822	6.4
205.19519	41.8
205.21484	1.5
206.19781	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.05511	9.5
57.07077	3.9
62.29499	0.5
65.03934	0.9
67.05505	8.9
69.07067	18.9
69.36592	1.2
69.36992	4.5
71.08617	1.0
79.05496	13.1
81.07056	52.1
82.07388	0.8
83.08614	7.8
91.05483	5.6
93.07043	50.3
95.04966	0.8
95.08605	27.0
97.10176	4.7
105.07031	4.2
106.52112	0.6
107.08593	30.2
109.06502	0.9
109.10155	22.4
109.76939	0.5
111.11710	2.3
119.08575	0.8
121.10143	100.0
122.10497	2.0
123.11704	9.7
135.11684	18.9
137.13287	0.9
149.02365	4.8
149.13260	45.2
150.13608	1.2
163.14822	3.9
189.27594	0.5
201.17783	0.5
205.19511	22.4
218.82561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
52.00831	1.3
55.05513	10.7
57.07068	4.5
59.61914	1.2
67.05518	10.8
67.53694	1.2
69.07069	26.2
69.85996	7.3
71.08636	1.8
79.05497	14.6
79.99612	1.1
81.07059	55.7
83.08611	8.6
91.05453	7.0
93.07045	49.6
93.07638	2.3
94.02386	1.2
95.08611	33.8
97.10184	7.7
103.04895	1.4
105.07021	3.7
105.44890	1.1
107.08600	41.6
109.10158	31.8
111.11707	3.4
119.08505	1.1
121.10149	100.0
122.10540	1.8
123.11710	14.6
135.11702	28.7
137.13240	2.8
149.02386	4.0
149.13266	54.1
163.14865	5.9
177.51721	1.3
186.93501	1.2
205.19557	36.7
206.19774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
55.05273	1.4
55.05516	18.6
57.07068	7.2
67.05510	11.7
69.07068	27.2
69.29288	10.5
71.08620	1.6
79.05488	13.2
81.07057	56.0
82.07384	1.1
83.08618	18.9
84.02718	0.9
91.05473	9.3
93.07047	69.3
95.04967	2.3
95.08608	33.7
97.10183	6.9
100.06807	1.2
105.07024	7.7
107.08597	57.1
108.08907	1.8
109.10158	33.1
111.11755	2.0
111.27918	1.0
119.08577	2.0
121.10147	100.0
122.10421	2.5
123.11710	19.4
135.11697	29.3
136.12041	1.3
137.13261	1.5
143.28299	1.0
149.02345	2.1
149.13264	79.0
150.13499	1.4
163.14868	5.8
205.19519	32.6
206.19962	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1336
Annotation	Psilocin
Peak:m/z	Relative Intensity
53.03951	0.4
55.01881	0.4
57.07071	0.9
58.06599	49.7
59.06944	0.6
59.09950	0.3
60.04513	0.4
60.29006	0.4
65.03948	0.5
66.73977	0.3
67.05505	1.3
69.03431	0.8
69.07066	1.3
71.51462	0.7
72.08150	1.8
79.05499	1.1
81.03414	0.4
81.07040	1.2
83.04971	0.5
85.02905	0.7
91.05470	2.3
93.07031	2.1
95.01345	1.2
95.04977	1.6
95.08600	0.6
97.02871	0.8
105.07011	2.6
107.04939	0.7
107.08605	0.6
109.06525	0.7
115.05431	2.5
117.05761	0.9
117.07040	1.6
118.06533	4.9
119.08587	3.6
121.02882	0.9
121.06507	2.1
121.10139	1.5
123.04447	1.5
127.03997	0.5
129.06995	0.6
130.07735	0.5
130.64040	0.4
131.04942	0.4
131.08563	2.3
132.04442	22.3
132.08087	17.3
133.10110	0.9
134.06010	1.6
135.08052	0.6
135.11708	0.4
137.05988	0.9
142.06519	5.2
144.08212	0.4
144.09334	1.6
145.06482	1.1
145.10117	2.2
147.08069	0.6
149.02333	6.2
149.05978	3.2
158.07368	0.5
159.08060	0.8
159.11682	6.4
160.07571	100.0
161.07928	2.6
161.09558	0.6
162.05531	0.6
163.07582	1.0
163.11243	0.6
177.04189	0.5
177.12801	1.0
178.04988	55.9
187.11183	1.4
205.05023	0.8
205.13383	56.8
206.04475	28.7
206.13657	1.7
214.87666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02391	0.8
53.03937	3.5
53.66115	0.8
53.93351	0.8
55.01867	3.6
55.05512	6.0
57.03433	1.7
57.07061	2.9
63.72380	0.9
64.04790	0.8
65.03922	3.1
65.13355	0.8
67.05182	1.6
67.05506	20.3
67.36752	1.0
69.03423	5.7
69.07063	10.3
70.67157	1.7
71.04992	2.7
72.08142	1.7
79.05493	12.1
81.03407	2.4
81.07057	11.6
83.04993	7.8
85.02905	2.7
91.05478	26.2
93.07044	26.0
93.07633	1.2
95.00771	1.5
95.01329	17.5
95.01891	1.9
95.04965	31.0
95.08595	5.7
97.02872	1.8
97.06541	1.8
99.04453	1.7
103.05475	6.0
103.29917	0.9
105.07031	38.7
107.04949	8.7
107.08588	11.8
109.06502	4.0
109.10138	4.0
111.04438	2.8
115.05447	4.4
116.06228	1.2
117.07019	21.6
118.97705	0.8
119.04934	2.2
119.08578	46.9
120.09356	3.8
121.02859	2.8
121.06503	19.4
121.10143	10.8
123.04427	18.8
123.08090	2.2
124.05186	1.7
125.25384	1.0
128.06189	2.5
129.07001	9.6
130.07794	6.1
131.04922	2.7
131.08565	30.2
132.05652	1.3
133.06482	2.7
133.10143	7.6
135.04385	2.6
135.08057	6.0
135.11728	2.3
137.05989	9.3
137.09622	2.3
141.06993	1.6
142.07744	1.7
142.49231	0.9
143.08551	4.3
144.05684	2.8
144.08316	1.7
144.09343	18.9
145.06482	13.7
145.10121	27.7
146.06036	2.2
146.07182	1.5
147.08032	6.5
149.02341	13.3
149.05983	45.5
149.09544	1.6
149.13243	2.6
154.07726	1.2
157.06496	1.0
157.10112	3.4
158.07266	3.7
159.08101	10.0
159.11691	100.0
160.12039	1.2
161.09615	3.1
161.13261	2.7
162.03329	1.1
163.07521	9.6
163.11179	3.3
168.44464	0.9
169.10129	3.4
172.08841	7.0
177.09052	1.9
177.12756	8.7
187.07523	1.7
187.09557	1.9
187.11171	22.0
188.07082	2.3
205.04933	2.6
205.08575	2.7
205.12245	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	205.0971
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
55.50278	0.5
70.69135	1.8
74.02435	1.8
85.40036	0.6
91.05476	2.7
103.35030	0.6
107.20042	0.6
115.05464	4.0
117.05759	1.9
117.07024	3.5
118.06544	52.7
130.06534	4.5
132.08093	12.1
142.06516	3.7
143.07297	7.8
144.04417	1.0
144.08084	22.1
146.06009	100.0
147.06337	1.4
159.09187	9.2
160.07559	1.7
170.06024	7.8
188.07069	58.9
189.07413	1.0
205.09909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0972
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
53.03967	0.6
55.01874	0.5
55.05514	0.5
56.05051	0.5
56.96570	1.5
57.03445	0.6
57.07075	1.2
58.06606	0.6
60.04525	2.3
60.05654	0.3
65.03944	0.8
67.05508	1.4
68.05054	0.5
69.03423	2.1
69.05371	0.4
69.07071	0.9
70.06603	1.8
71.52316	0.5
72.08155	2.5
74.02435	0.7
78.95275	0.5
79.04532	0.3
79.05505	1.4
81.03423	1.3
81.07056	1.0
83.05005	0.7
84.04472	0.6
84.08137	3.0
85.01125	0.9
85.02899	1.5
86.09718	0.4
88.03979	1.8
91.05478	4.3
93.07036	2.2
95.01324	0.9
95.04963	2.0
95.08626	0.7
96.04494	0.4
97.02904	1.7
97.04832	0.6
98.97595	1.1
99.04487	0.4
102.03840	0.7
103.05471	1.2
104.05000	0.4
105.07036	6.4
107.04963	0.5
107.08605	1.5
109.02822	1.0
109.06522	0.6
109.10172	0.7
110.07188	0.4
110.97574	0.5
111.04437	0.5
115.05444	8.9
115.06164	0.5
116.98621	0.9
117.03719	0.5
117.05775	4.3
117.06981	2.2
118.06546	2.4
119.04997	0.7
119.07330	14.8
119.08585	3.5
119.97872	0.7
120.08115	2.8
121.02862	1.6
121.06508	1.5
121.10155	1.6
122.94165	0.4
123.04453	1.0
123.08109	0.4
127.03915	0.6
127.05853	0.4
129.07004	0.6
129.10243	0.6
130.06526	1.2
130.07755	0.4
130.08655	0.9
131.04941	0.6
131.08565	1.6
132.04457	11.9
132.08095	31.5
133.02815	0.7
133.06451	0.6
133.08449	0.4
134.05939	0.6
134.99687	0.4
135.04424	0.3
135.11655	0.7
136.07481	0.5
137.05969	0.9
139.04002	0.3
141.06998	0.4
142.06525	6.9
144.08273	0.4
144.09346	1.5
145.06491	0.7
145.10126	2.7
146.06027	1.0
146.99588	0.5
147.07983	0.5
147.11469	0.4
149.02345	8.1
149.05983	3.2
149.13272	0.7
157.10156	0.4
158.96338	0.5
159.09181	100.0
159.11702	6.4
160.07579	1.5
160.09537	1.6
162.05522	4.5
163.06017	0.4
163.07593	0.6
163.11185	0.5
173.05923	0.4
177.04187	1.0
177.12730	0.6
178.04997	48.8
181.97867	0.5
187.11183	1.5
205.03577	0.5
205.05183	0.6
205.09770	7.1
205.11948	2.6
205.13881	0.6
205.15858	0.5
206.04492	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.1
53.03937	0.7
55.01874	2.9
63.02390	0.1
63.10537	0.2
67.05515	0.2
68.99757	0.2
69.65526	0.9
75.77938	0.1
77.03939	0.5
79.05489	3.2
81.03407	0.2
91.05476	0.7
93.07036	0.3
94.03321	0.1
95.04976	1.1
97.19522	0.1
98.20765	0.3
103.05459	2.1
105.03353	0.2
105.04527	0.2
105.07011	0.9
106.51778	0.2
107.04951	2.5
107.08611	0.2
109.02889	0.1
119.08579	0.3
121.02838	0.3
121.10152	0.3
131.04927	5.2
131.08600	0.2
133.02910	0.2
135.04413	7.5
145.10095	0.4
147.66988	0.1
149.02316	0.6
149.05981	1.3
159.04433	2.4
159.11687	0.3
163.03900	100.0
164.04292	1.2
177.05476	6.8
187.03908	0.5
205.04964	35.7
205.12219	0.6
206.05276	0.6
223.06012	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0495
Annotation	Paniculal
Peak:m/z	Relative Intensity
50.01598	0.1
53.03937	0.7
55.01874	2.9
63.02390	0.1
63.10537	0.2
67.05515	0.2
68.99757	0.2
69.65526	0.9
75.77938	0.1
77.03939	0.5
79.05489	3.2
81.03407	0.2
91.05476	0.7
93.07036	0.3
94.03321	0.1
95.04976	1.1
97.19522	0.1
98.20765	0.3
103.05459	2.1
105.03353	0.2
105.04527	0.2
105.07011	0.9
106.51778	0.2
107.04951	2.5
107.08611	0.2
109.02889	0.1
119.08579	0.3
121.02838	0.3
121.10152	0.3
131.04927	5.2
131.08600	0.2
133.02910	0.2
135.04413	7.5
145.10095	0.4
147.66988	0.1
149.02316	0.6
149.05981	1.3
159.04433	2.4
159.11687	0.3
163.03900	100.0
164.04292	1.2
177.05476	6.8
187.03908	0.5
205.04964	35.7
205.12219	0.6
206.05276	0.6
223.06012	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0495
Annotation	1,2-Dihydroxy-8-carboxynaphthalene
Peak:m/z	Relative Intensity
51.02382	0.3
53.03946	0.9
55.01872	1.2
56.26899	0.3
57.07081	0.9
60.30654	0.4
65.03930	0.6
67.02640	0.3
69.03425	0.8
69.07063	0.7
69.22700	1.5
69.23129	1.9
77.03924	0.6
79.05486	1.7
81.03412	0.9
81.07054	0.9
83.01343	1.3
85.02906	1.5
91.05491	2.3
93.03436	0.6
93.07040	2.6
95.04979	1.8
95.08622	0.7
97.02901	0.8
98.20776	0.7
102.04637	0.5
103.05466	6.0
105.04541	0.5
105.07027	4.2
107.05002	0.7
107.08600	1.0
109.10159	0.4
114.44728	0.4
115.05430	2.5
117.07014	0.9
119.04941	0.5
119.08570	0.7
121.02861	1.6
121.06490	2.7
121.10144	1.3
127.03938	0.5
127.57567	0.3
131.04927	60.7
131.79691	0.4
132.05269	0.6
133.02856	0.7
133.06509	2.6
134.03641	0.4
135.04390	0.6
135.08049	0.4
135.11664	0.8
143.04945	0.8
143.46031	0.3
145.06474	1.0
145.10092	0.8
147.04433	0.8
149.02354	6.8
149.05988	2.5
149.13268	0.7
159.04417	62.0
159.11739	0.7
160.04715	0.8
162.03145	0.4
163.03860	3.7
163.11047	0.4
163.14923	0.4
173.06073	0.3
175.03908	0.9
176.04697	4.2
177.05492	1.5
187.03891	15.3
187.05550	0.8
187.14925	0.5
205.04962	100.0
205.14061	0.7
205.15904	1.2
205.19498	0.7
206.05342	0.9
223.06039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0495
Annotation	1,2-Dihydroxy-8-carboxynaphthalene
Peak:m/z	Relative Intensity
53.03948	0.9
55.01877	1.5
55.05516	0.5
55.93526	0.5
56.24815	0.4
56.96564	5.1
57.03437	0.3
57.07074	2.3
60.04529	0.7
65.03945	1.5
65.88878	0.3
67.05508	0.7
69.03422	2.0
69.07077	1.0
70.95862	0.4
71.05015	0.4
77.03944	0.8
79.05489	3.5
81.03421	1.8
81.07053	0.7
83.01340	1.1
83.04968	0.4
85.02900	2.5
91.05481	5.2
92.05807	0.5
93.03434	0.5
93.07046	2.9
95.04959	2.0
95.08599	1.1
97.02903	2.1
97.04829	0.4
99.04437	0.6
99.13708	0.4
102.04688	0.4
103.05460	6.5
105.04506	0.4
105.07038	5.0
107.04938	1.2
107.08598	1.5
109.02890	0.7
109.10133	0.7
111.04451	0.6
113.96323	0.5
115.05434	3.4
116.38200	0.4
117.07023	1.0
119.04926	1.3
119.08588	1.4
121.02891	3.0
121.06467	2.7
121.10124	1.6
126.01531	0.4
127.00668	0.4
127.03920	1.0
127.05896	0.6
129.02237	1.4
129.06941	0.5
131.04924	69.0
132.05278	1.0
133.02895	0.4
133.06494	2.7
133.10123	0.7
134.03661	0.9
135.02002	1.3
135.04413	1.1
135.08064	0.4
135.11699	0.7
137.05977	0.4
143.02554	1.0
143.04939	0.8
144.02545	5.9
144.52748	0.8
145.01738	0.6
145.06465	0.7
145.10129	2.2
146.52893	0.4
147.03282	5.7
147.04417	3.5
147.08083	0.4
147.11664	0.4
148.03682	0.4
148.05133	1.0
149.02344	14.4
149.04944	0.8
149.05992	3.3
149.09616	0.4
149.13287	0.9
152.03075	1.1
153.03056	1.0
155.53365	0.8
159.04411	59.4
159.11739	1.1
160.04791	0.9
161.03592	12.9
161.53786	2.0
162.03145	0.6
163.02576	0.6
163.03909	10.0
163.07480	0.4
163.11221	1.0
163.53847	0.6
165.04382	1.7
170.04115	25.9
170.54271	2.9
171.04395	1.2
172.54375	4.8
172.55685	0.6
173.04568	1.5
175.03903	13.6
176.04605	4.4
177.04445	2.2
177.05563	1.4
177.12863	0.5
178.04968	0.4
179.04639	2.4
181.54918	8.3
182.05112	1.4
184.05217	1.4
184.55380	0.5
187.03906	18.4
187.11182	0.8
187.14841	0.5
193.05725	1.5
200.07056	1.3
204.12196	0.4
205.04959	100.0
205.12292	2.7
205.14101	0.8
205.15811	2.0
205.19499	0.4
206.05315	1.8
223.06018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01877	1.5
55.05516	0.5
55.93526	0.5
56.24815	0.4
56.96564	5.1
57.03437	0.3
57.07074	2.3
60.04529	0.7
65.03945	1.5
65.88878	0.3
67.05508	0.7
69.03422	2.0
69.07077	1.0
70.95862	0.4
71.05015	0.4
77.03944	0.8
79.05489	3.5
81.03421	1.8
81.07053	0.7
83.01340	1.1
83.04968	0.4
85.02900	2.5
91.05481	5.2
92.05807	0.5
93.03434	0.5
93.07046	2.9
95.04959	2.0
95.08599	1.1
97.02903	2.1
97.04829	0.4
99.04437	0.6
99.13708	0.4
102.04688	0.4
103.05460	6.5
105.04506	0.4
105.07038	5.0
107.04938	1.2
107.08598	1.5
109.02890	0.7
109.10133	0.7
111.04451	0.6
113.96323	0.5
115.05434	3.4
116.38200	0.4
117.07023	1.0
119.04926	1.3
119.08588	1.4
121.02891	3.0
121.06467	2.7
121.10124	1.6
126.01531	0.4
127.00668	0.4
127.03920	1.0
127.05896	0.6
129.02237	1.4
129.06941	0.5
131.04924	69.0
132.05278	1.0
133.02895	0.4
133.06494	2.7
133.10123	0.7
134.03661	0.9
135.02002	1.3
135.04413	1.1
135.08064	0.4
135.11699	0.7
137.05977	0.4
143.02554	1.0
143.04939	0.8
144.02545	5.9
144.52748	0.8
145.01738	0.6
145.06465	0.7
145.10129	2.2
146.52893	0.4
147.03282	5.7
147.04417	3.5
147.08083	0.4
147.11664	0.4
148.03682	0.4
148.05133	1.0
149.02344	14.4
149.04944	0.8
149.05992	3.3
149.09616	0.4
149.13287	0.9
152.03075	1.1
153.03056	1.0
155.53365	0.8
159.04411	59.4
159.11739	1.1
160.04791	0.9
161.03592	12.9
161.53786	2.0
162.03145	0.6
163.02576	0.6
163.03909	10.0
163.07480	0.4
163.11221	1.0
163.53847	0.6
165.04382	1.7
170.04115	25.9
170.54271	2.9
171.04395	1.2
172.54375	4.8
172.55685	0.6
173.04568	1.5
175.03903	13.6
176.04605	4.4
177.04445	2.2
177.05563	1.4
177.12863	0.5
178.04968	0.4
179.04639	2.4
181.54918	8.3
182.05112	1.4
184.05217	1.4
184.55380	0.5
187.03906	18.4
187.11182	0.8
187.14841	0.5
193.05725	1.5
200.07056	1.3
204.12196	0.4
205.04959	100.0
205.12292	2.7
205.14101	0.8
205.15811	2.0
205.19499	0.4
206.05315	1.8
223.06018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0495
Annotation	1,2-Dihydroxy-8-carboxynaphthalene
Peak:m/z	Relative Intensity
53.03938	1.5
55.01884	1.1
57.07071	1.1
64.00272	0.4
65.03941	0.4
69.03436	1.1
69.07073	0.9
70.92010	0.6
70.92344	0.7
77.03957	0.4
79.05486	2.8
81.03425	0.9
81.07063	0.7
83.01349	1.3
85.02922	1.2
90.85329	0.4
91.05474	2.4
93.07040	2.7
95.04977	1.4
95.08602	1.1
97.02885	0.5
99.04509	0.5
102.04721	0.4
103.05466	5.0
105.04549	0.5
105.07016	4.4
107.05003	0.9
107.08597	1.3
109.02902	0.7
109.10155	0.6
115.05455	2.4
117.07047	0.9
119.08606	0.5
119.90291	0.4
121.02839	1.8
121.06505	3.3
121.10155	1.2
121.32346	0.3
123.11755	0.5
128.16948	0.4
130.35851	0.4
131.04930	62.7
132.05272	0.9
133.06490	3.4
133.10072	0.6
135.04402	0.9
135.08037	0.6
135.11702	1.0
143.04936	0.9
145.06560	0.6
145.10101	1.1
147.04489	1.0
148.05188	0.8
149.02354	7.8
149.05992	3.6
149.13261	0.9
156.52512	0.4
159.04416	59.9
159.11758	0.7
160.04752	0.7
161.06171	0.5
163.03896	7.5
163.07465	0.4
163.11264	0.7
163.14940	0.4
175.03894	0.7
176.04692	3.5
177.05441	1.4
187.03903	15.1
187.11177	0.6
190.02568	0.4
200.06998	0.7
203.06364	0.4
205.04962	100.0
205.12221	1.2
205.15891	1.7
205.19547	0.6
206.05345	1.1
223.06029	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05020	0.9
53.03944	2.2
55.01869	6.5
55.05510	29.8
56.05040	3.0
56.05855	1.3
56.96569	6.8
57.07080	6.2
58.70000	1.1
58.99588	69.7
60.04531	16.7
61.01144	6.0
61.02911	1.7
62.00658	1.5
65.03942	1.3
65.66771	0.9
67.05503	1.7
68.05030	6.0
69.03429	3.6
69.07069	3.2
70.06590	2.5
71.52037	1.7
72.04550	1.1
72.08157	2.2
73.01141	15.8
73.02927	2.2
74.00660	4.8
76.02231	20.8
79.05499	12.1
81.03414	1.9
81.07056	62.8
83.04990	1.8
83.08627	13.6
84.04495	9.5
85.01133	2.9
85.02896	4.2
86.99059	38.8
87.02693	2.8
88.02213	2.6
88.03986	5.6
89.03925	1.4
91.05498	3.0
93.07027	2.8
95.04984	1.3
95.08615	3.0
96.04498	11.2
97.02891	10.4
97.10181	1.2
98.06080	1.3
98.09705	1.3
99.02692	3.3
99.04498	1.2
100.11259	100.0
101.11588	1.6
102.03737	1.0
103.05476	1.0
105.00094	17.4
105.07031	4.0
107.04974	1.5
107.07320	1.0
107.08602	4.6
110.06075	2.9
112.11240	2.4
113.04216	2.0
114.05520	10.1
114.10365	1.0
115.05799	17.0
116.05353	9.9
119.08601	2.2
120.01158	1.4
121.06501	2.9
121.10141	18.1
122.10504	1.1
123.08099	2.3
124.11249	2.2
126.05520	14.1
127.03894	1.3
131.04968	1.6
131.08572	1.6
133.10138	1.1
135.04395	2.0
137.09601	3.0
138.05522	3.7
141.07359	8.0
144.04459	4.7
144.06593	1.8
145.06459	2.1
145.10146	2.0
149.02348	5.6
149.05887	1.5
158.05959	8.1
158.09988	35.3
159.08095	1.2
159.11693	3.7
160.00441	1.1
163.03931	11.4
163.07535	2.0
163.11192	2.1
168.06569	2.5
172.03946	11.3
172.08780	1.4
173.05949	1.3
176.04410	1.1
177.05431	1.5
187.07878	73.7
188.08206	1.8
188.10724	2.3
189.11572	1.5
204.06615	12.4
204.08659	9.9
204.10561	34.1
204.13731	14.4
204.18135	2.7
204.19838	1.6
205.04976	4.4
205.08586	2.5
205.12277	7.5
205.13940	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.102
Annotation	Indolebutyric acid
Peak:m/z	Relative Intensity
55.01870	0.3
55.05511	0.3
56.05029	0.3
59.05003	0.4
60.04526	5.2
61.02930	0.4
65.03926	0.3
67.05502	0.3
68.05030	1.8
68.76279	0.2
69.03429	0.8
69.03769	0.2
69.39935	0.2
70.06599	0.3
71.01371	0.2
71.04978	0.4
71.52024	0.2
71.52457	0.2
72.08156	1.9
73.02896	0.2
74.06055	0.2
79.05427	0.2
80.17500	0.2
81.03405	0.4
81.07049	0.2
84.04504	2.5
84.08136	0.3
85.02906	1.3
86.09711	0.3
87.04495	0.2
89.03915	0.3
91.05482	0.8
93.07049	0.4
95.01333	0.4
95.04969	0.2
96.04497	2.6
97.02890	3.2
98.06056	0.6
99.04419	0.2
100.03952	0.3
103.05489	0.3
104.05025	0.2
105.07026	0.6
106.07309	0.4
107.04969	0.2
108.04480	0.2
109.02863	0.3
110.06041	0.5
114.05518	2.6
115.05466	0.2
116.05009	0.4
117.05750	0.7
118.06535	0.4
118.08676	0.4
119.04959	0.2
119.08598	0.4
120.04428	0.3
120.08084	0.5
120.08904	0.5
121.02831	0.4
121.06499	0.7
122.06041	0.2
126.05518	3.9
127.03928	0.4
130.06520	2.0
131.04951	0.3
131.08603	0.3
132.04462	0.3
132.08060	0.2
133.06535	0.3
134.10480	0.4
138.05473	0.7
141.06802	0.2
143.07202	0.9
143.08249	0.2
144.04404	0.2
144.06552	0.5
144.08041	0.5
145.05130	0.4
145.06345	0.3
146.05991	0.6
148.07541	0.3
148.12025	0.2
149.02362	1.2
156.06541	0.3
158.06015	3.7
158.08200	0.2
158.09631	0.6
158.11690	0.3
159.06783	1.2
159.07927	0.3
160.07573	1.9
161.05765	0.3
162.05472	3.2
162.06578	0.3
162.10014	0.3
163.03854	0.2
168.06557	0.7
168.07999	0.4
173.05956	0.2
176.07063	0.7
176.11539	0.6
184.07579	0.6
185.08372	0.3
186.09138	100.0
187.09482	2.4
188.07101	0.3
188.10744	0.4
189.08817	0.3
189.11467	0.5
204.10202	52.6
204.13844	2.7
205.04941	0.3
205.08739	0.4
205.10544	1.2
205.12189	0.3
206.31873	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03938	1.9
55.05512	8.9
57.07058	3.4
67.05505	22.8
69.07068	16.2
70.14892	5.7
73.07841	1.4
79.05476	10.1
81.06595	1.9
81.07054	34.7
82.24892	1.2
83.08604	4.0
88.86932	1.3
89.39520	1.2
91.05484	25.8
93.07040	21.0
95.08605	58.4
95.28936	1.4
97.42825	1.1
103.05414	1.6
105.07030	69.0
106.07327	1.6
107.08597	28.6
109.10157	47.3
111.21098	1.4
117.07061	1.9
119.08583	49.5
121.10136	26.0
123.11702	15.2
131.04890	2.9
131.08514	2.9
131.34715	1.3
133.10121	37.2
135.11681	5.5
142.21358	1.2
145.10124	5.7
147.04416	15.5
147.11684	82.9
148.12157	1.4
159.04384	1.3
159.11664	3.1
161.13245	20.8
175.03946	5.8
175.14848	7.0
203.03407	24.7
203.17949	100.0
204.13889	1.8
204.18292	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	203.1795
Annotation	(+)-alpha-Curcumene
Peak:m/z	Relative Intensity
51.84906	1.3
55.05491	5.5
56.05029	1.4
57.07064	5.0
64.49874	1.3
65.03871	1.6
67.02992	1.8
67.05495	7.0
68.05016	3.4
68.62415	1.3
68.91193	1.4
69.07059	12.5
70.06587	1.4
70.59838	2.6
71.45026	1.2
75.68949	1.4
79.05470	3.9
81.04527	3.4
81.07058	10.5
83.06078	1.7
83.08621	4.7
90.29879	1.3
91.05482	11.7
93.04526	1.8
93.07059	9.0
95.06087	3.6
95.08606	29.7
96.04491	2.7
96.05587	1.3
97.02879	4.2
105.07032	34.9
107.06062	2.6
107.08595	13.3
108.05594	1.5
109.07631	3.3
109.10143	19.3
110.07161	1.6
114.05485	2.2
117.06978	1.6
119.08587	38.7
120.05578	4.1
121.05116	1.5
121.07619	3.9
121.10144	14.4
122.07157	5.1
124.08699	1.7
126.05501	3.6
131.08591	4.2
133.10124	36.9
134.07143	4.2
135.06618	3.4
135.11678	2.4
136.08687	2.4
137.08211	2.6
143.84428	1.7
144.08121	2.0
145.05022	2.3
145.10136	11.7
146.07185	2.5
147.04503	2.3
147.11691	57.0
157.10243	1.8
159.11687	4.2
160.08678	3.1
160.12457	10.3
161.08220	6.5
161.09473	2.1
161.13246	21.2
162.08655	5.0
162.10249	3.5
163.08517	2.1
163.09760	3.9
163.11072	3.2
164.10521	2.0
175.03873	3.4
175.11159	2.3
175.14789	3.2
176.09253	1.7
176.11673	1.7
177.11392	1.5
188.15594	3.1
203.03363	8.1
203.06894	2.3
203.10506	10.2
203.12901	6.2
203.17952	100.0
204.08694	3.7
204.10503	2.4
204.12390	8.2
204.13947	4.4
204.18311	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.92005	0.8
55.05515	7.2
57.07085	5.7
59.11287	0.9
61.95045	0.8
66.18935	0.9
67.05504	17.3
69.07074	14.1
69.85833	4.2
79.05493	10.2
81.06592	1.6
81.07056	29.8
83.08621	4.3
87.03999	1.0
91.05482	18.9
93.06487	1.0
93.07046	14.3
95.08607	40.8
97.10142	1.1
105.07030	100.0
107.08589	20.3
109.10158	30.8
117.07054	2.0
119.08583	48.2
120.08927	1.1
121.10137	18.6
123.11709	8.2
131.08539	4.0
132.09380	1.0
133.09125	1.9
133.10132	38.1
135.11670	3.3
145.10101	5.0
147.04390	1.6
147.11690	65.0
148.12090	0.9
159.11700	2.7
160.12459	2.0
161.11995	1.5
161.13266	21.3
175.14832	9.2
178.00041	1.0
181.07478	0.8
191.00755	0.9
194.13144	0.9
197.46918	0.8
197.68480	0.9
203.03336	1.9
203.17952	66.6
204.18317	2.6
215.92937	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03936	1.9
55.05511	10.2
57.07054	3.1
67.05505	17.4
68.22338	1.2
69.07072	14.2
79.05494	8.7
81.06598	2.5
81.07056	40.2
83.08602	5.2
90.78434	1.3
91.04971	2.0
91.05482	18.8
93.07047	17.8
95.08607	51.0
97.10127	1.6
98.21526	3.6
103.05477	1.1
105.07032	83.5
107.08593	26.8
108.08910	1.4
109.10155	32.8
117.07022	2.1
119.08582	53.3
121.09322	1.6
121.10139	17.5
123.11700	9.1
127.30106	1.2
131.08585	6.3
133.10133	41.3
135.11676	5.0
145.10110	7.9
147.04424	2.3
147.11688	98.9
148.12138	1.5
159.11713	2.5
160.12454	4.5
161.13260	23.9
174.14105	1.5
175.14819	7.9
203.03340	4.1
203.10623	2.0
203.17952	100.0
204.13776	3.2
204.18327	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	203.1793
Annotation	(+)-alpha-Curcumene
Peak:m/z	Relative Intensity
53.03938	2.5
55.05510	10.4
57.07078	4.8
60.04515	4.0
65.03925	2.2
65.27776	0.9
67.05501	15.6
68.04972	1.1
69.03403	0.9
69.06735	1.2
69.07067	16.1
70.14618	4.0
71.04982	0.9
72.00862	1.0
74.23886	0.8
77.03900	1.0
79.05492	10.9
81.06596	1.6
81.07055	27.6
83.01344	4.9
83.04974	0.9
83.08613	5.3
84.04484	4.0
91.05479	47.3
92.05793	1.1
93.07047	15.6
95.04957	2.2
95.08604	60.3
96.04484	2.6
97.02882	3.0
97.10153	1.3
103.05441	2.2
105.07027	100.0
106.07350	1.4
107.04960	1.2
107.08582	21.5
109.02880	2.2
109.10155	31.7
114.05555	1.8
115.05458	1.4
117.07008	3.4
118.03471	1.0
119.04959	10.7
119.08578	62.0
121.10140	22.0
123.11699	5.8
126.05489	4.6
128.06235	1.6
129.06992	2.8
131.04900	4.2
131.07700	0.9
131.08525	5.3
133.10126	61.8
134.10472	1.4
135.11636	4.6
142.07768	3.3
143.08493	1.0
144.05533	0.9
145.06488	1.5
145.10118	8.2
147.04408	40.3
147.08041	3.5
147.11684	64.4
148.12074	1.2
157.10127	3.6
159.04420	1.3
159.11700	2.4
160.05177	1.0
160.08806	1.7
160.12466	3.6
161.05965	2.3
161.09647	1.4
161.13266	22.3
162.06769	1.4
163.03900	1.2
174.06746	2.7
174.14101	1.0
175.03908	71.6
175.07530	3.9
175.11172	3.1
175.14819	10.3
176.04231	3.3
178.02567	1.2
185.13310	1.2
188.08345	2.8
203.03389	31.6
203.07076	18.4
203.09215	1.6
203.10710	17.0
203.14204	3.9
203.17952	92.0
204.07086	1.2
204.08795	2.0
204.13838	3.4
204.18356	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
54.57975	1.2
55.05509	8.9
57.07062	3.7
63.14789	1.3
63.31440	1.1
65.03945	1.5
67.05504	25.4
69.07069	14.5
69.74362	1.3
70.15102	5.0
79.05489	7.6
79.67651	1.5
81.06593	2.7
81.07056	46.7
83.08609	3.8
91.05470	18.7
92.46665	1.1
93.07037	17.6
95.08607	71.7
98.21554	1.5
103.05479	1.4
105.07031	88.1
107.08594	34.7
109.10155	46.7
117.07027	1.9
119.08582	56.0
121.10158	20.6
123.11692	10.7
129.03389	1.3
131.04906	3.8
131.08559	4.0
133.10133	44.8
134.10538	2.0
135.11679	6.2
145.10081	4.3
147.04434	17.3
147.11685	74.9
148.12007	1.8
159.11647	1.9
160.12459	3.6
161.13254	27.5
175.03865	5.5
175.14854	12.9
203.03391	39.1
203.17957	100.0
204.03705	2.2
204.18214	2.0
205.31569	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
54.95849	1.0
55.05511	5.4
67.05505	11.0
69.07067	11.5
69.41477	2.1
69.41879	7.4
73.33707	1.0
79.05486	7.8
80.95664	0.9
81.07056	29.0
83.08597	3.2
90.31184	0.8
91.05484	11.5
93.06507	1.0
93.07049	14.0
95.08607	40.2
97.10147	1.5
105.07031	47.0
107.08588	20.5
109.10154	26.7
119.08578	37.0
121.10148	13.3
123.11702	5.9
131.08556	3.6
133.10132	32.3
134.10535	1.1
135.11674	3.5
135.76283	1.0
145.10097	5.9
147.04402	1.1
147.11688	61.8
155.77739	0.8
159.11757	2.0
160.12485	3.4
161.13263	16.2
175.14801	5.5
183.99394	1.0
203.03372	2.9
203.17958	100.0
204.18320	2.2
222.97878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.83146	0.7
53.03936	0.9
55.01864	0.9
55.05272	0.8
55.05512	10.0
55.77297	0.8
57.07083	3.8
60.04515	3.2
65.03944	1.5
67.05504	15.7
69.07069	13.4
71.16695	1.7
73.78533	0.8
75.16071	0.7
79.05489	7.8
81.06586	1.6
81.07058	29.6
83.08618	4.2
84.04485	2.1
90.27869	0.8
91.05481	17.7
93.07044	18.6
95.04950	2.1
95.08609	62.3
96.04456	1.2
96.08893	1.0
97.10180	1.0
103.05482	1.4
105.07034	74.4
107.08604	19.8
109.10156	30.7
114.05486	1.3
117.07012	2.8
119.04929	1.3
119.08580	66.5
121.10146	30.6
123.08038	0.9
123.11694	6.9
126.05542	2.0
127.03877	0.8
129.03305	1.2
131.04951	4.8
131.08554	6.3
133.10129	54.8
135.11740	3.8
141.85721	0.9
142.07808	0.9
143.08569	1.1
145.06549	0.9
145.10130	7.3
146.10922	1.5
147.04410	30.8
147.11687	90.2
148.04793	1.2
148.12093	2.0
157.06482	0.9
157.10132	1.4
159.04420	2.6
159.11726	4.6
160.12445	4.7
161.09625	0.8
161.13264	25.8
173.13272	1.7
174.14009	2.2
175.03902	15.5
175.07581	0.9
175.14828	12.8
201.29564	0.9
203.03398	52.2
203.06921	4.3
203.10716	1.4
203.14296	4.1
203.17961	100.0
204.03694	1.8
204.08704	1.5
204.13823	4.4
204.18292	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.69331	1.0
53.03927	1.3
55.05500	7.5
56.31368	0.9
56.96545	1.1
57.07085	4.7
60.04519	1.2
67.05506	12.8
69.07070	15.1
70.76664	1.8
70.77013	1.1
79.05490	6.5
81.06588	1.6
81.07049	22.6
81.57127	0.8
83.08616	3.6
91.05485	16.5
91.56754	1.0
93.07042	10.5
95.08603	28.8
97.10154	1.6
98.20858	1.2
103.05474	1.9
105.07030	100.0
106.07371	1.8
107.07963	1.6
107.08589	14.9
109.10156	25.0
117.07019	4.0
119.04976	2.0
119.08580	54.8
120.08872	1.2
121.10135	13.3
122.01974	0.8
123.11731	7.7
131.04878	1.4
131.08553	4.7
133.10127	39.9
135.11697	4.2
145.10132	5.7
147.04411	11.6
147.11687	60.7
148.12024	1.9
159.11716	3.1
160.12437	3.7
161.13268	20.9
174.13979	1.3
175.03920	10.8
175.14844	5.4
176.04117	1.0
203.03395	20.7
203.07013	3.2
203.10834	1.0
203.17955	67.9
204.18295	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	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03942	1.2
55.05512	9.8
57.07075	3.3
59.01694	0.7
60.04499	1.0
67.05505	16.7
68.51867	0.6
69.07066	12.9
69.95030	3.3
79.05499	6.2
81.07059	15.7
83.08624	8.3
91.05479	13.4
93.07045	8.6
95.04951	0.8
95.08606	64.4
96.04486	1.1
96.08919	1.0
97.02856	1.0
97.10152	1.5
103.05461	1.4
105.07030	37.1
107.07880	1.0
107.08594	18.4
109.10154	27.3
114.05515	0.7
114.15356	0.6
117.07007	2.6
119.08581	48.4
121.10142	23.9
123.11740	4.7
126.05527	1.0
131.04924	1.1
131.08549	3.1
133.10132	56.5
134.10945	0.5
135.11668	6.0
143.08521	0.8
145.10135	5.8
147.04420	7.8
147.11688	59.6
148.12096	2.0
157.10165	1.2
157.94577	0.6
159.04459	0.8
159.11729	4.5
160.12424	2.9
161.09625	1.3
161.13261	23.3
162.13663	0.7
173.13261	2.7
174.14082	1.1
175.03935	4.6
175.14832	6.0
188.15610	0.8
203.03409	11.1
203.07037	2.2
203.14189	2.3
203.17957	100.0
204.08611	0.7
204.13805	1.1
204.18304	2.8
211.73598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03951	1.2
55.05510	10.5
57.07071	3.4
60.04523	1.3
63.70655	0.5
64.33109	0.5
65.03942	1.1
66.17420	0.5
67.05502	11.8
69.07065	18.8
69.40871	4.1
69.41518	0.6
71.08615	0.7
72.44199	0.5
73.05403	0.6
74.62059	0.5
79.05490	9.2
81.07054	71.4
83.08614	7.1
84.04512	0.8
88.17684	0.6
91.05484	15.5
93.07040	15.0
95.04950	1.0
95.08605	38.2
96.04523	0.9
96.08926	0.7
97.10154	1.0
103.05458	1.2
105.07028	67.8
107.08592	18.9
109.10155	27.4
114.05528	0.7
115.05459	0.7
117.06984	3.5
118.07788	0.8
119.08576	51.1
120.08898	0.8
120.47478	0.5
121.10139	16.5
123.11700	7.7
129.07007	1.0
131.04904	1.0
131.08562	6.8
131.34787	0.6
132.09341	0.6
133.10129	53.9
135.11691	4.1
143.08559	0.8
145.10127	13.7
146.10869	0.8
147.04396	5.6
147.11682	100.0
148.12090	1.3
157.10170	0.8
159.11688	4.4
160.12468	10.6
161.13251	26.1
174.14059	1.3
175.03920	3.0
175.07582	1.0
175.14847	3.8
203.03378	11.1
203.07027	2.5
203.10640	1.5
203.17955	87.5
203.22018	2.4
204.13867	1.5
204.18237	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	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03926	1.8
55.01866	2.2
55.05511	11.4
56.05016	1.0
56.96559	3.0
57.07067	2.7
58.06593	1.0
60.04521	7.8
64.29054	1.0
65.03932	1.8
67.05183	1.7
67.05506	22.8
67.26080	1.0
68.05019	3.0
68.99780	1.6
69.03416	1.9
69.07070	15.9
70.06579	1.6
70.13702	0.9
71.01320	1.1
71.04992	1.2
71.53074	1.1
71.53434	1.2
72.07210	1.1
72.08150	5.6
76.40623	1.0
77.03934	1.2
79.05495	11.1
81.03377	1.1
81.07059	37.0
83.04959	1.6
83.08637	7.3
84.04488	4.0
85.02865	1.8
91.05479	28.6
93.07041	20.2
95.04940	2.1
95.08605	60.4
96.04504	4.7
96.80659	0.9
97.02903	5.0
97.10143	2.7
99.04488	1.0
103.05508	1.2
105.07031	56.3
107.04954	4.8
107.07872	2.2
107.08595	39.2
107.63878	0.9
109.06503	3.0
109.10157	50.8
113.87852	1.1
114.05495	3.0
115.05431	2.2
117.07018	5.7
118.07856	1.0
119.04928	2.5
119.08580	71.5
120.08947	1.0
121.02859	1.4
121.06493	2.3
121.10141	24.2
123.08044	1.3
123.11714	10.1
126.05499	4.0
128.06213	4.9
129.07031	7.3
130.06516	2.0
131.04922	2.7
131.08569	10.1
132.05722	2.0
133.02878	1.9
133.06505	8.9
133.10126	57.1
135.08086	1.6
135.11682	7.9
138.05499	1.9
141.06961	1.9
142.07816	6.0
143.08585	5.4
144.04509	1.2
144.05637	1.4
145.05226	0.9
145.06480	3.7
145.10104	10.6
146.07263	1.6
147.04425	10.0
147.08031	5.6
147.11688	61.3
148.12122	1.3
149.06017	2.1
157.06467	4.5
157.07645	1.5
157.10117	12.9
158.05934	2.6
159.08018	2.2
159.11723	8.3
160.05174	4.4
160.08846	2.6
160.12413	3.5
161.05984	9.1
161.09625	7.9
161.11989	1.7
161.13263	27.1
170.07198	1.7
170.10861	1.5
171.07916	1.2
172.03896	1.5
172.85420	1.0
174.06790	5.1
174.14021	1.4
175.03893	12.5
175.07536	11.8
175.11194	12.0
175.14842	11.5
185.05936	3.3
185.09648	7.6
185.13210	2.9
186.09143	1.0
188.04683	2.8
188.08316	4.4
189.11488	1.6
203.03368	9.0
203.07022	22.4
203.09146	0.8
203.10658	30.0
203.14290	11.0
203.17957	100.0
204.06810	1.3
204.08655	2.6
204.10411	1.4
204.13844	5.2
204.18179	3.1
204.19786	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	(+)-alpha-Curcumene
Peak:m/z	Relative Intensity
55.05515	7.6
57.07076	3.7
60.04510	1.9
63.59822	0.6
65.03913	2.9
67.05186	0.8
67.05506	12.4
69.06741	0.8
69.07069	12.9
69.37930	3.9
69.38339	1.9
79.05481	5.3
81.07060	24.0
83.08630	4.2
84.04498	2.3
85.02854	0.7
91.05481	44.0
92.05833	0.9
93.07047	11.8
95.04956	1.3
95.08607	34.2
96.04485	1.0
97.02890	1.2
97.10163	1.4
103.05463	6.5
105.07030	77.5
106.07357	1.0
107.04923	1.0
107.08592	15.0
109.06506	0.8
109.10155	24.4
114.05521	1.8
117.07006	3.4
119.04951	13.0
119.08575	44.2
121.02903	1.1
121.10146	13.6
123.11711	7.2
126.05482	2.0
128.06184	1.3
129.07027	1.9
131.04939	3.4
131.08560	5.4
133.10130	46.0
135.11664	2.7
144.05713	0.8
145.06445	0.7
145.10126	6.1
147.04407	35.8
147.08096	1.7
147.11684	55.0
148.04713	1.6
149.66962	0.8
157.10156	1.3
159.04442	1.3
159.11714	3.6
160.01538	1.5
160.12459	3.2
161.09630	1.4
161.11998	1.2
161.13264	20.5
173.13313	1.4
175.03909	100.0
175.11217	1.1
175.14803	9.0
176.04251	4.1
178.02594	2.9
185.13222	0.8
188.01015	1.2
193.04996	0.7
203.03407	36.6
203.07040	22.5
203.08481	0.6
203.10590	3.6
203.14217	2.8
203.17952	73.6
204.03737	1.7
204.08682	1.0
204.13765	3.4
204.18329	2.1
221.04437	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.1
55.05497	0.4
56.05020	0.2
57.07066	0.2
58.06588	0.5
60.04527	1.0
60.08161	6.3
61.01146	0.1
67.05487	0.2
68.05009	0.4
69.03407	0.4
69.07062	0.2
70.06578	0.5
71.04311	0.3
72.08144	0.4
73.03986	0.1
79.05491	0.4
81.03410	0.2
81.07043	0.3
83.04966	0.3
83.08614	0.2
84.04489	0.4
84.08150	0.8
85.02903	0.3
86.09690	0.5
91.05480	0.9
93.07011	0.2
95.01318	0.3
95.08604	0.3
96.04470	0.4
97.02892	0.8
98.97581	0.2
103.05447	0.4
104.05329	0.2
105.07026	1.2
107.04943	0.2
107.08586	0.3
109.02827	0.2
109.10166	0.2
112.11213	0.2
112.78344	0.2
114.05494	0.4
115.05412	0.7
117.05747	0.2
117.07018	3.2
119.08591	0.9
126.05509	0.6
128.06212	0.3
129.06995	0.6
130.06537	0.4
131.08525	0.3
133.06479	0.5
133.10143	0.7
138.05496	0.2
142.07796	0.8
143.07306	1.8
143.08432	0.3
144.08078	100.0
145.06551	0.8
145.08420	2.4
145.10139	0.5
147.08018	0.5
147.11653	0.6
151.07521	0.1
155.06056	0.6
157.06458	0.4
157.07628	0.2
157.10092	0.9
158.06042	0.3
158.09973	0.3
159.08051	0.2
159.11717	0.2
160.08891	0.3
161.05972	0.2
161.09621	0.4
161.13297	0.2
168.06592	0.1
170.07278	0.4
175.07510	0.3
175.11124	1.1
185.05952	0.2
185.09631	1.3
185.13199	0.2
188.08189	0.3
203.03441	0.3
203.06804	0.8
203.10681	2.7
203.15535	4.5
203.17749	0.2
203.18042	0.3
204.08694	0.3
204.13841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.139
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
53.03926	0.8
55.01879	1.4
55.05507	1.5
55.65038	0.5
56.05025	0.7
56.96565	2.1
57.03422	0.5
57.68272	0.5
60.04520	4.5
61.01153	0.7
61.84656	0.5
67.05502	1.0
68.05022	1.4
69.03450	1.3
69.07060	1.7
69.85806	1.8
69.86221	1.3
70.06592	2.6
71.04968	0.7
72.08140	1.8
73.02889	0.9
74.06095	0.7
78.94801	0.5
79.05469	0.5
81.03413	0.7
81.07046	1.9
83.04980	1.3
83.08579	0.8
84.04498	3.1
84.04951	0.6
84.08148	2.7
85.02891	2.1
85.13571	0.5
86.09703	100.0
87.10025	0.7
89.05567	0.5
90.08134	0.6
91.05479	2.4
93.07050	1.6
95.01332	2.7
95.08589	1.0
96.04488	2.5
97.02885	4.4
98.97601	2.2
101.26628	0.6
105.07024	3.6
107.04974	0.6
107.08580	0.9
109.02893	0.6
110.06010	1.3
110.07143	1.2
114.05540	1.5
115.04013	0.6
115.05431	0.7
116.07113	0.8
116.98605	1.6
117.07022	1.0
119.08569	3.7
120.08111	2.1
121.06474	0.7
121.10120	0.7
126.05502	1.7
127.03890	0.5
129.06993	1.1
129.10266	1.2
130.06528	3.4
132.10202	74.3
133.06436	1.1
133.10124	2.3
134.99667	0.8
138.05515	0.7
141.06955	0.7
142.07779	1.5
145.06516	0.6
147.04445	2.7
147.08057	0.7
147.11699	2.6
151.73918	0.5
157.07602	4.1
157.10123	2.8
157.13354	8.4
159.11714	0.6
160.08774	1.1
161.06035	1.3
161.09602	3.1
168.06548	1.2
175.07498	1.1
175.11148	4.2
177.00693	1.0
185.09593	1.0
185.13152	0.7
186.07729	0.6
188.08328	1.9
203.03442	1.3
203.05296	1.0
203.06679	0.8
203.08180	2.1
203.10667	6.0
203.13875	5.4
203.17943	1.2
204.08653	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	203.0702
Annotation	Setarin
Peak:m/z	Relative Intensity
53.92614	0.3
55.05503	0.3
65.03932	0.6
67.05522	0.4
68.99795	0.3
69.07082	0.3
69.36842	1.3
69.37270	1.0
79.05495	0.6
81.07051	0.9
91.05479	14.2
93.07047	0.5
95.08613	1.6
103.05477	0.4
105.07032	2.4
105.44696	0.3
107.04958	16.6
107.08610	1.0
109.10163	0.9
115.05465	0.3
115.72590	0.3
116.06269	0.4
118.03294	0.4
118.04160	9.3
119.04947	23.9
119.08595	1.6
121.10129	0.4
123.11695	0.4
124.02431	0.3
129.06964	0.5
131.04910	0.7
131.08530	0.5
133.02820	0.8
133.10066	1.4
134.15985	0.3
135.04373	1.6
145.10223	0.3
146.03670	0.6
147.04411	1.0
147.08061	1.3
147.11671	2.6
159.08063	4.1
161.13249	0.6
163.03911	37.2
164.04135	0.4
174.06804	0.3
175.03923	1.0
178.02589	0.9
203.07034	100.0
203.17928	2.9
204.07362	2.0
223.06744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.07
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02409	0.2
53.00309	0.1
53.03946	0.2
54.84367	0.1
55.01872	0.2
55.05497	0.1
63.02382	0.1
65.03929	2.0
65.04278	0.1
67.01856	0.1
67.05502	0.2
68.99778	0.2
69.03419	0.1
69.07066	0.2
71.52594	0.1
77.03905	0.1
79.01855	0.1
79.05501	0.5
81.03423	0.1
81.07066	0.4
83.01328	0.3
83.04978	0.1
87.22181	0.1
89.03897	0.5
91.05476	32.4
92.05807	0.4
93.03404	0.2
93.07034	0.2
95.04956	0.3
95.08607	0.7
102.04713	0.1
103.05460	4.5
105.03397	0.2
105.07035	1.1
107.04952	0.8
107.08558	0.3
109.02869	0.1
109.10157	0.5
111.04424	0.1
115.05434	0.4
116.06300	0.4
117.03312	0.1
117.07022	0.4
118.04169	0.1
118.07324	0.1
119.04935	10.9
119.08569	1.5
120.05255	0.1
121.02855	0.6
121.10162	0.2
123.11716	0.1
128.06200	0.6
129.03378	0.1
129.06998	0.7
130.06920	0.1
131.04919	1.5
131.08572	0.2
132.02069	0.6
132.05696	0.3
133.02850	0.1
133.06491	0.2
133.10110	0.6
134.03592	0.5
135.04401	0.1
137.05969	0.2
141.07005	0.2
141.78522	0.1
142.07782	0.2
143.08557	0.1
144.05675	0.5
145.02876	0.1
145.03978	0.4
145.06447	0.3
145.07532	0.1
145.10146	0.2
146.06895	0.1
147.04399	31.9
147.08015	1.2
147.11673	1.0
148.04742	0.4
155.06053	0.1
157.02859	0.1
157.06480	0.2
157.10191	0.1
159.04375	0.4
159.08083	0.2
159.11761	0.1
160.01505	0.4
160.05193	0.2
160.12352	0.1
161.04756	0.1
161.06035	0.2
161.09631	0.1
161.13280	0.3
162.06749	0.1
163.03880	0.3
173.02386	0.2
173.06036	0.1
174.06743	0.2
175.03894	100.0
176.02701	0.1
176.04247	1.7
178.02603	3.1
179.02919	0.1
185.02399	0.1
185.09718	0.1
187.03825	0.1
188.01013	0.1
188.08321	0.2
192.06520	0.1
193.04941	1.0
203.03391	21.6
203.07010	20.0
203.10690	1.1
203.14209	0.3
203.17889	1.3
204.03693	0.4
204.05400	0.1
204.07343	0.2
206.02014	0.5
216.06502	0.7
221.04425	0.9
221.06448	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	203.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.2
53.03944	0.5
55.01869	0.4
55.05513	0.4
57.07093	0.2
60.04521	0.2
60.80232	0.2
63.02361	0.8
65.03938	2.5
66.01073	0.2
67.05485	0.7
68.99813	0.2
69.07069	2.9
70.07392	1.3
70.15553	0.6
75.02345	0.3
76.03139	2.0
78.01118	0.2
79.05492	0.7
80.29477	0.2
81.03422	0.5
81.07072	1.5
83.08582	0.2
83.32616	0.2
87.02352	0.6
89.03918	9.5
91.05482	15.8
93.07046	0.8
93.68954	0.2
95.01315	1.0
95.04939	0.3
95.08607	2.0
103.01842	0.9
103.05485	0.4
104.02601	1.5
105.03388	0.5
105.07027	3.2
107.04945	0.4
107.08578	0.9
109.02876	4.8
109.10172	1.2
109.87196	0.2
110.95399	0.2
114.05514	0.3
115.05417	0.4
117.03398	1.5
117.07019	0.4
119.04950	6.7
119.08578	2.9
121.02886	0.5
121.10143	1.0
123.11630	0.4
128.06210	0.4
129.06993	0.4
131.04913	0.8
131.08571	0.3
132.02080	5.4
132.04460	0.6
133.02841	0.4
133.04735	1.1
133.10115	1.9
134.03671	0.4
143.01277	6.0
145.02852	5.0
145.06485	0.3
145.10078	0.4
146.06017	2.0
147.04417	11.5
147.06296	5.9
147.08080	0.6
147.11685	2.9
157.02866	0.5
159.04477	0.3
160.01553	19.8
161.01982	0.5
161.13246	1.0
164.01060	1.1
173.02354	0.4
175.03908	35.4
175.13097	1.6
175.14639	0.5
176.04271	0.6
185.13295	0.4
188.01042	50.7
189.01422	0.9
203.03389	100.0
203.06956	10.1
203.12560	2.3
203.14308	0.8
203.17938	3.9
204.03743	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	203.0336
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
50.01603	0.1
51.02402	0.2
51.76981	0.0
53.00311	0.1
53.03943	0.1
53.57127	0.0
55.01869	0.1
55.05509	0.1
57.42707	0.0
62.85153	0.0
63.02380	0.1
65.03931	1.9
66.04261	0.0
66.68904	0.0
67.01846	0.0
67.05512	0.1
68.99786	0.2
69.07085	0.0
69.13452	0.0
71.52668	0.1
74.06054	0.0
76.03143	0.0
77.03928	0.1
79.01857	0.2
79.05502	0.4
81.03432	0.1
81.07058	0.2
83.01340	0.2
83.04971	0.0
89.03903	0.4
89.48647	0.0
91.05477	31.5
92.02591	0.1
92.05816	0.5
93.03407	0.2
93.07039	0.1
95.04975	0.2
95.08617	0.2
102.04707	0.1
103.05463	4.8
105.03411	0.1
105.04546	0.1
105.07036	0.6
105.33715	0.1
107.04957	0.8
107.08592	0.2
109.02840	0.1
109.10134	0.2
115.05446	0.6
116.06245	0.4
117.03368	0.1
117.06255	0.1
117.07005	0.4
119.04939	11.0
119.08566	1.2
120.05273	0.2
121.02859	0.5
121.10124	0.1
122.93221	0.1
128.06212	0.7
129.03389	0.1
129.06987	0.7
130.06912	0.1
131.04918	1.3
131.08575	0.1
132.02098	0.4
132.05724	0.3
133.02843	0.1
133.06441	0.1
133.10110	0.2
134.03616	0.6
135.04370	0.1
137.05878	0.2
141.07025	0.2
142.07780	0.1
144.05695	0.6
145.02873	0.1
145.03983	0.3
145.06465	0.3
146.07156	0.1
147.04404	32.1
147.08012	1.4
147.11685	0.3
148.04718	0.5
155.06068	0.1
157.02890	0.1
157.06548	0.2
157.10161	0.1
159.04378	0.4
159.08026	0.2
160.01498	0.5
160.05054	0.1
161.06108	0.2
161.09593	0.1
161.13304	0.1
162.06740	0.1
163.03969	0.3
173.02335	0.1
173.06096	0.1
174.06752	0.2
175.03897	100.0
176.04242	1.8
178.02611	2.9
178.04207	0.1
185.05972	0.1
187.03719	0.1
188.00983	0.1
188.08409	0.3
192.06482	0.1
193.04936	0.8
203.03397	21.3
203.07016	20.7
203.10684	1.2
203.17848	0.5
204.03677	0.5
204.07317	0.3
206.02045	0.6
216.06532	0.6
221.04410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.3
53.03939	0.4
55.05503	1.7
57.07072	0.7
60.04529	0.5
64.26939	0.2
65.03941	0.7
67.05502	3.1
69.07066	3.1
70.57308	0.8
72.68018	0.2
77.03926	0.4
79.05487	1.4
81.07049	6.1
83.08618	0.5
91.05476	7.9
92.05813	0.3
93.07039	3.6
93.07569	0.4
94.85046	0.2
95.04965	1.0
95.08604	11.3
96.04433	0.3
97.10183	0.4
103.05464	2.0
105.03418	0.5
105.04490	0.3
105.07026	13.6
107.08587	5.3
109.06561	0.3
109.10150	8.0
117.07031	0.8
119.04959	1.5
119.08579	11.6
121.10143	4.6
123.11697	1.7
129.03362	2.7
129.07008	0.6
131.04924	12.1
131.08537	1.5
132.05264	0.5
132.09346	0.3
133.02794	0.4
133.06505	0.3
133.10127	9.5
135.11681	1.1
142.07773	0.4
143.08600	0.3
144.09322	0.3
145.10133	1.9
147.04402	60.0
147.11679	17.4
148.04761	1.4
151.03934	0.3
154.84163	0.2
157.02852	0.9
157.07611	0.4
157.10106	0.4
159.04408	4.0
159.11707	0.8
160.12457	0.9
161.09618	0.4
161.13255	4.7
174.14049	0.4
175.03906	16.6
175.11253	0.3
175.14801	1.7
176.04253	0.5
181.17766	0.3
185.02322	0.7
185.09679	0.3
185.13232	0.7
193.04814	0.3
203.03384	100.0
203.10643	1.3
203.14384	1.9
203.17953	20.5
204.03712	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	203.0338
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
53.03940	0.5
53.78310	0.3
55.05515	0.9
57.07065	0.2
60.87464	0.3
65.03944	0.8
67.05505	1.1
68.19747	0.3
69.07065	1.2
69.90517	1.5
72.21186	0.3
77.03896	0.3
79.05498	0.8
81.07053	3.1
91.05479	11.4
93.07040	1.5
95.04950	0.8
95.08602	3.1
98.20851	0.5
103.05479	2.8
105.07040	5.6
107.08586	1.5
109.10154	2.6
117.07050	0.4
119.04952	4.2
119.08582	4.0
121.10133	1.3
123.11672	0.7
126.05539	0.3
127.45799	0.3
129.06976	0.4
131.04929	13.0
131.08545	0.4
133.10132	3.4
143.08574	0.5
145.10114	0.5
146.38657	0.2
147.04408	38.4
147.11678	6.1
148.04755	0.8
157.10170	0.6
159.04410	10.8
160.06635	0.3
160.12585	0.3
161.13251	1.7
169.82890	0.3
175.03894	6.6
175.14758	0.5
185.05989	0.4
201.00398	0.3
203.03391	100.0
203.14285	1.0
203.17946	7.0
204.03731	2.1
204.08746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0339
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
53.03963	0.4
71.26477	0.8
77.03900	0.5
81.07054	0.4
86.73512	0.4
91.05484	4.6
95.08615	1.0
103.05469	1.5
105.07050	1.9
107.08614	0.6
108.63390	0.5
109.10164	0.5
119.04943	1.0
119.08573	1.1
129.03375	3.2
131.04933	11.4
132.15233	0.4
133.02876	0.5
133.10172	1.2
147.04413	64.9
147.11679	1.4
148.04724	1.2
157.02853	1.3
159.04408	4.0
175.03922	16.0
176.04332	0.5
185.02362	1.1
190.34207	0.4
203.03397	100.0
203.17923	1.7
204.03716	2.2
215.04153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0338
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
53.03930	0.2
65.03947	0.3
70.07736	1.3
81.07023	0.5
91.05482	4.2
95.04973	0.4
95.08611	0.7
95.88602	0.3
98.21412	0.4
102.04660	0.3
103.05473	1.7
105.03389	0.4
105.07022	1.0
109.10144	0.3
119.04942	0.9
119.08592	0.8
121.22187	0.2
129.03381	2.6
131.04930	10.9
133.02910	0.3
133.10179	0.6
142.94389	0.2
145.99783	0.2
146.90898	0.3
147.04410	57.0
147.11684	0.9
148.04709	0.7
148.74995	0.2
157.02843	0.9
159.04410	4.1
175.03911	14.7
178.88210	0.3
185.02313	1.0
199.13812	0.3
203.03397	100.0
203.17940	0.8
204.03758	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	203.0337
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
51.02391	0.2
53.03942	0.4
55.05509	0.4
65.03945	0.4
66.33141	0.1
67.05486	0.4
69.07063	0.3
72.08140	0.1
77.03926	0.2
79.05500	0.2
79.61198	0.1
81.07059	1.0
83.04993	0.2
84.80732	0.1
89.35702	0.2
91.05483	4.9
93.07038	0.7
95.04979	0.5
95.08601	1.3
97.29417	0.1
103.05461	1.8
105.03401	0.7
105.07033	1.6
107.04986	0.2
107.08609	0.7
109.10159	0.9
115.05472	0.2
117.07029	0.3
119.04961	1.3
119.08570	1.5
121.10154	0.5
128.06215	0.2
129.03365	2.4
129.07005	0.2
131.04922	10.7
131.08585	0.3
132.05426	0.2
133.02812	0.8
133.06485	0.2
133.10168	1.3
143.08615	0.4
145.06439	0.3
145.10132	0.6
147.04405	55.6
147.11687	1.4
148.04713	1.1
157.02850	0.9
157.10135	0.4
159.04404	4.9
159.11696	0.3
160.05154	0.2
161.09575	0.3
161.13272	0.6
175.03908	15.3
175.07462	0.4
175.11162	0.2
176.04279	0.4
185.02347	1.1
185.09648	0.2
185.13234	0.3
203.03389	100.0
203.14256	1.0
203.17957	2.0
204.03729	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
53.13602	0.7
53.49928	0.7
55.05512	8.8
55.97306	0.7
56.05038	16.4
57.98809	1.0
58.99587	30.5
68.05023	1.2
69.07079	1.6
69.70236	4.2
69.70640	1.4
70.06563	1.1
72.29549	0.6
73.02929	0.8
74.00657	1.5
76.02232	7.1
79.05492	30.3
80.05025	1.0
81.07059	21.1
82.06577	9.8
83.88725	0.7
84.08134	0.8
85.01128	100.0
86.00653	14.4
86.98547	1.2
86.99055	16.4
87.02706	0.8
88.02229	2.5
88.03992	2.7
91.05479	1.3
95.04968	1.7
95.08599	0.8
96.08135	2.3
97.08916	8.9
98.09695	29.2
100.02180	0.9
105.00087	8.6
105.07058	1.0
110.09678	1.6
113.04232	44.6
120.01164	2.5
122.09701	2.9
131.01654	1.3
132.01164	14.9
132.08913	0.9
139.05750	1.0
143.07224	0.8
146.06824	0.8
146.10428	1.0
156.08438	6.8
159.04832	0.9
160.07559	5.0
160.12119	1.1
181.13283	0.6
185.06303	4.3
202.05110	1.2
202.08946	16.5
202.16695	1.2
216.26686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	4.8
56.96562	13.4
57.93551	2.4
59.06120	2.1
63.13285	1.6
63.83841	1.8
65.37109	1.6
70.06598	2.6
71.33924	1.8
71.34251	2.0
80.00353	1.5
83.06110	1.8
90.60203	1.5
91.05466	1.6
97.99169	2.6
98.97566	6.7
100.02452	4.4
100.97196	1.8
101.00874	13.8
101.95026	7.4
114.95634	3.9
116.00217	5.0
116.98628	8.1
118.03501	6.9
118.07241	1.6
119.01919	100.0
119.96046	4.4
120.02012	4.1
120.03233	2.0
121.01664	2.6
132.03267	1.9
132.96713	4.1
134.01254	4.9
134.02933	2.0
134.99670	9.0
136.02733	3.1
136.04544	5.5
137.02971	52.2
137.03993	2.8
138.03081	3.8
139.02663	2.0
142.03479	32.0
143.03584	1.9
152.02248	1.9
156.96295	1.9
160.02728	2.7
160.04558	29.8
161.02922	13.9
161.04170	7.5
162.04405	2.3
176.05933	1.8
178.00090	2.2
178.03818	6.7
178.05605	15.1
178.98347	2.6
179.03981	37.7
179.05383	3.7
181.22595	1.8
184.04585	4.1
197.01086	2.2
197.06209	1.8
202.05554	6.8
202.07217	2.3
203.07161	1.7
220.02083	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03941	0.8
55.05512	3.4
57.07080	8.7
57.93567	0.5
61.62650	0.4
63.64436	0.4
65.03954	0.5
67.05507	7.1
69.07071	12.3
69.79305	2.3
71.08633	1.5
77.61422	0.4
79.05492	6.5
81.07061	10.2
83.08621	1.9
85.94580	0.5
91.05486	13.2
91.63655	0.4
93.07047	11.8
95.04964	1.1
95.08612	13.8
96.71262	0.4
98.21410	0.6
103.05492	0.7
105.07035	20.3
106.73566	0.5
107.08597	16.9
109.06527	0.7
109.10159	3.1
114.95628	0.6
115.05444	1.7
116.06236	1.0
117.07027	17.7
117.07870	0.8
118.96765	2.5
119.08585	19.2
121.10139	5.3
128.06195	2.5
129.07008	6.3
130.07794	7.3
131.04814	0.5
131.06961	0.9
131.08574	31.2
132.09375	0.7
133.10133	10.6
141.07031	0.5
142.07767	1.9
143.08569	8.7
144.09361	6.9
145.06471	2.4
145.10127	81.4
146.10938	3.7
147.11667	1.0
154.96513	0.6
156.09331	0.7
157.10127	7.8
158.07224	0.4
158.10934	4.5
159.04433	1.0
159.06366	1.0
159.11697	50.3
160.12250	1.6
164.76936	0.5
171.11678	11.2
172.12497	2.4
173.06024	2.2
173.11769	0.9
173.13268	15.5
174.13586	0.5
177.45081	0.5
177.98051	2.0
183.10065	0.5
183.11722	0.5
185.13237	0.7
186.14058	6.8
199.14833	1.2
200.99690	0.5
201.05435	5.0
201.09210	1.0
201.11076	2.0
201.16386	100.0
201.49290	0.5
201.89691	0.4
202.16751	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
52.47681	1.0
53.03923	1.3
55.05511	5.5
55.05722	1.0
57.07069	3.2
57.93553	1.6
59.93092	2.1
63.02378	3.0
65.03939	1.3
67.05511	8.1
69.07056	6.8
71.08626	1.2
71.52487	1.4
77.94129	1.3
79.05499	7.3
81.07059	12.2
83.08616	2.1
89.03415	2.0
89.03924	30.0
90.04250	2.5
91.05478	19.4
93.07037	11.1
95.04971	2.2
95.08621	8.6
103.05464	4.3
105.07033	28.4
107.08601	16.0
109.10172	6.5
114.95683	2.6
115.05455	23.0
116.06269	2.6
117.03362	4.0
117.07018	65.8
118.07372	1.5
118.96756	14.0
119.08595	12.9
121.10155	7.8
127.05408	1.8
128.05272	1.9
128.06218	34.7
129.07037	17.3
130.06482	1.2
130.07828	7.0
131.04927	15.7
131.06961	2.2
131.08572	34.8
132.96704	3.2
133.06500	1.3
133.10138	6.4
133.99081	2.5
136.95380	1.1
142.07805	1.4
143.08562	9.7
144.08089	5.2
144.09338	4.7
145.02861	32.2
145.03999	2.3
145.06490	46.3
145.10121	62.4
146.06836	2.5
146.10863	1.9
150.95720	2.0
151.03978	1.4
154.96460	3.6
155.04941	1.9
155.06027	6.2
155.08600	1.9
157.06496	6.6
157.08960	1.3
157.10104	7.5
158.06021	2.4
158.07204	2.1
158.10930	5.7
159.04424	35.6
159.06371	6.1
159.07999	1.3
159.11699	52.1
160.12033	1.6
171.11549	2.6
173.01192	1.1
173.02362	39.7
173.05989	65.9
173.09442	2.0
173.13266	18.8
174.02652	2.2
174.06337	3.3
177.98093	8.0
178.96046	2.0
183.10078	2.7
183.11696	1.5
186.10397	1.2
186.14064	3.0
200.99988	2.0
201.01823	12.1
201.05481	100.0
201.09273	9.4
201.10976	8.4
201.12747	7.8
201.16385	88.7
201.24098	1.6
202.05768	6.7
202.16733	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	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03940	1.3
55.05508	4.6
57.07061	1.9
67.05247	0.6
67.05508	7.7
69.07059	6.2
70.69102	1.4
70.69476	1.4
71.08607	1.0
73.02834	0.7
78.40012	0.6
79.05493	7.5
81.06595	1.0
81.07052	18.9
83.08600	1.6
89.03902	2.7
91.05478	12.1
93.07038	17.3
93.07626	0.9
95.04935	1.2
95.08604	19.7
103.05473	2.0
105.07027	27.9
107.08588	23.4
109.10146	7.8
115.05455	2.3
116.06228	0.7
117.07011	13.4
119.08574	21.3
120.08989	0.7
121.10126	10.9
123.22715	0.7
128.06161	1.6
129.07018	4.0
130.07780	6.7
131.08562	31.6
133.10129	9.6
142.07813	1.8
143.08568	6.5
144.05672	0.7
144.09338	6.1
145.02811	2.2
145.06456	1.8
145.10118	75.2
146.10812	3.4
147.11693	0.9
155.08562	1.0
156.95131	0.8
157.10107	5.1
158.03662	1.6
158.07178	0.8
158.10930	3.8
159.11685	57.0
160.12056	3.3
171.11667	2.7
172.12483	1.7
173.02324	3.3
173.05971	2.9
173.13248	17.2
183.08026	0.8
186.14027	2.4
199.14693	1.1
201.01813	1.2
201.05464	4.0
201.09123	2.9
201.12590	2.4
201.16377	100.0
202.16718	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	201.1638
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
51.02384	1.2
55.05502	3.2
57.07066	3.4
59.04414	0.9
60.40918	0.9
65.03960	0.9
67.05496	6.4
68.97524	0.9
69.07069	5.9
70.18430	2.7
70.18838	1.7
79.05495	6.6
81.07063	13.6
83.08617	2.1
91.05482	12.7
93.07049	13.8
95.04958	0.9
95.08612	15.3
96.53097	0.9
96.84704	0.9
103.05489	1.5
105.07032	26.5
107.08598	16.9
109.10163	3.7
114.95592	1.2
115.05463	8.2
116.06297	1.0
117.07020	56.2
118.96728	3.4
119.08584	15.4
121.10138	8.6
128.06216	8.6
129.07011	7.3
130.07813	8.2
131.04871	2.0
131.08568	33.9
133.10133	9.3
133.99049	1.5
142.07797	2.2
143.08553	7.4
144.09340	5.4
145.06487	15.7
145.10129	83.2
146.10579	2.0
147.11624	1.6
154.96373	1.1
155.06030	2.1
157.06523	2.8
157.10115	5.3
158.10881	4.3
159.04385	4.6
159.06308	1.0
159.11694	76.0
160.12111	1.8
171.11691	2.7
172.12440	1.5
173.02280	1.4
173.06000	17.9
173.09605	1.1
173.13269	13.4
177.98019	2.2
183.09962	1.3
186.14008	3.3
201.05482	37.6
201.09158	1.7
201.12698	3.5
201.16383	100.0
202.05675	1.4
202.16724	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	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
50.30717	0.9
53.03944	1.8
55.05508	5.4
57.07077	5.8
59.93102	1.8
60.40250	1.0
60.41939	1.0
67.05505	8.5
69.03437	1.1
69.07082	8.2
69.26775	10.1
69.93862	1.0
70.06605	1.7
71.08614	1.5
75.02397	1.2
77.94148	1.2
79.05492	7.9
81.03368	1.4
81.07059	13.5
83.08641	1.9
84.83282	1.0
84.93240	1.2
89.03928	5.4
91.05483	16.0
93.07043	13.1
95.04951	1.2
95.08602	15.5
98.21616	1.1
103.05441	2.2
105.07030	22.5
107.08604	16.6
109.10107	5.3
114.95657	1.1
115.05421	6.3
116.06248	1.2
117.03385	1.4
117.07008	17.8
117.07769	1.8
118.96779	10.0
119.06983	1.0
119.08581	17.5
121.10119	7.6
128.06224	5.3
129.07027	10.0
130.06544	5.0
130.07797	6.2
131.04872	2.5
131.06963	6.9
131.08563	32.8
132.04457	3.4
132.96652	2.5
133.04822	3.0
133.10130	8.4
133.99094	2.2
141.06976	1.4
143.08598	7.8
144.08150	2.4
144.09323	7.3
145.02847	4.5
145.06473	5.9
145.10126	74.0
146.05972	1.5
146.10762	3.3
147.06340	2.5
153.06924	1.3
154.96448	3.5
155.06046	1.8
155.08586	3.6
157.06479	11.3
157.10112	7.5
158.05997	7.0
158.07285	3.9
158.09242	1.7
158.10866	4.9
159.04362	2.1
159.06381	21.5
159.07814	1.7
159.11696	51.8
160.12047	1.9
168.07643	3.5
171.06410	1.2
171.11687	5.5
172.12433	2.3
173.02301	5.3
173.06007	6.4
173.08096	1.2
173.09595	3.5
173.11594	3.5
173.13231	15.9
174.18546	3.6
177.98073	8.4
183.08426	1.6
183.10013	6.3
183.11603	1.3
186.06773	2.0
186.14050	3.6
201.05516	13.7
201.07298	2.2
201.09091	15.0
201.11034	26.5
201.12756	7.0
201.16380	100.0
202.16647	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	201.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
53.03949	0.4
55.01865	0.6
55.05499	0.3
57.07082	0.7
58.37733	0.3
65.03945	0.4
67.05491	0.4
69.07070	0.5
71.53688	0.4
78.36197	0.3
79.05484	0.7
81.07047	1.0
88.25677	0.3
89.03944	0.4
91.05479	7.8
93.07037	1.0
95.08605	0.9
103.05472	3.8
103.64831	0.3
105.07029	2.0
107.08582	1.4
115.05450	16.6
116.06270	0.7
117.07014	42.6
118.07376	0.7
118.96780	1.0
119.08575	1.2
121.10171	0.7
127.05452	1.7
128.06221	41.7
129.07014	16.2
130.07756	0.7
131.04027	0.6
131.04921	6.8
131.06891	0.7
131.08559	2.7
133.10127	0.6
143.08543	0.8
144.05542	0.3
144.09280	0.8
145.06482	34.5
145.10112	5.9
146.06783	0.7
147.04445	0.5
155.04913	1.1
155.06033	7.4
155.08594	0.6
157.06506	2.5
157.10129	0.7
158.03593	0.3
158.06053	0.6
158.07254	0.8
159.04411	14.8
159.06343	2.0
159.08047	0.5
159.11685	5.7
160.04813	0.4
171.11766	0.6
173.05978	100.0
173.13220	1.1
174.06323	2.0
177.98013	0.5
183.08116	0.5
183.10019	1.0
186.14008	0.4
201.05463	63.6
201.09100	6.3
201.11023	3.0
201.12666	0.7
201.16342	6.6
201.20378	3.2
202.05876	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0545
Annotation	5-Methylangelicin
Peak:m/z	Relative Intensity
51.02379	0.4
55.01875	0.4
55.05492	0.4
57.24969	0.3
61.54058	0.3
70.28087	0.7
70.28452	0.8
81.07011	0.5
86.37511	0.4
86.60132	0.3
91.05476	6.5
93.07053	0.5
95.04942	0.5
95.08597	0.6
95.28203	0.3
102.47586	0.3
103.05482	3.8
105.07019	1.2
107.08575	0.9
115.05447	18.9
116.06306	0.8
117.07011	42.9
118.07338	0.7
119.08572	0.8
122.80862	0.3
127.05428	1.4
128.06216	41.0
129.07010	14.3
131.04916	6.4
131.06924	0.5
131.08548	1.4
143.08562	0.5
145.06479	40.5
145.10106	3.5
146.06853	0.7
155.04886	1.5
155.06024	8.3
155.08549	0.6
157.06471	4.1
158.06036	0.4
158.07243	0.5
159.04408	13.1
159.06395	1.2
159.11688	2.2
168.07622	0.4
171.11720	0.4
173.05975	100.0
174.06314	2.2
177.98163	0.5
183.08113	0.4
183.09941	0.6
186.06789	0.4
200.07024	0.3
201.05457	84.8
201.09122	4.6
201.10970	1.9
201.16348	3.6
202.05844	2.1
221.08231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0546
Annotation	5-Methylangelicin
Peak:m/z	Relative Intensity
51.02384	0.4
55.01872	0.8
55.05507	1.2
57.07069	1.1
58.36790	0.3
60.10362	0.3
60.57056	0.3
64.07542	0.3
65.03931	0.4
67.04282	0.3
67.05492	1.8
69.07064	2.8
73.18890	0.3
79.05489	1.4
81.07047	2.7
83.08624	0.4
89.03908	3.5
91.05479	7.6
93.07034	1.1
95.08617	2.0
102.04685	0.6
103.05465	3.6
105.03368	0.4
105.07019	2.8
107.08578	1.5
109.10147	1.2
115.05452	18.4
116.06239	0.9
117.07018	43.3
118.07346	0.6
118.96770	0.9
119.08604	1.7
121.04739	0.3
121.10156	1.0
127.05396	1.5
128.06221	45.4
129.07013	17.2
130.06508	0.5
130.07736	0.9
131.04924	6.2
131.06868	1.5
131.08540	3.6
132.04417	1.3
133.04782	0.5
133.10103	0.9
134.05986	0.3
142.07779	0.4
143.08533	0.8
144.09312	0.9
145.02849	8.3
145.06483	34.5
145.10118	8.2
146.05952	3.8
147.04442	0.5
147.06219	0.5
154.96434	0.4
155.04895	1.3
155.06032	8.5
155.08395	0.3
157.06487	2.9
157.10133	0.9
158.03644	0.9
158.05984	1.2
158.07251	0.9
158.10992	0.5
159.04417	10.7
159.06332	3.7
159.08017	0.4
159.11685	6.8
168.07661	0.6
170.00371	0.3
171.11685	0.9
173.02502	4.8
173.05980	100.0
173.13213	1.8
174.03085	0.7
174.06320	2.2
174.12767	1.2
177.98047	1.0
183.08145	0.4
183.10008	1.5
185.07922	0.3
186.03107	6.7
186.06845	0.6
186.14061	0.5
201.01860	3.9
201.05466	78.7
201.09093	6.4
201.11008	5.0
201.12840	1.0
201.16364	9.0
202.02560	1.0
202.05820	1.8
202.12236	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.05510	7.7
66.22901	0.3
67.05498	1.0
69.03424	1.5
69.97385	1.6
79.05505	0.7
81.07051	2.0
81.87126	0.3
83.04972	1.9
91.05483	0.6
91.63721	0.3
92.05018	1.0
93.05782	1.7
103.05453	1.0
104.04980	1.0
105.03393	1.6
106.06520	0.4
115.05446	1.2
116.04949	0.4
117.05765	2.6
117.06974	0.4
118.06548	5.1
120.04471	4.9
128.04962	0.7
129.06984	1.0
130.06523	42.9
131.04974	0.3
131.07297	0.7
131.08510	0.3
132.04446	19.6
142.06622	0.4
142.07780	0.8
143.07300	3.3
144.04422	0.5
144.08089	5.3
145.05229	0.4
145.10094	0.4
146.06003	13.3
154.06467	0.6
155.08553	0.9
156.08112	2.3
157.08875	7.3
157.10080	0.6
158.06007	100.0
158.09587	5.8
159.06706	4.2
160.07544	1.3
164.95921	0.3
167.07306	14.2
168.08023	0.7
170.06004	5.4
171.06764	1.0
172.06177	0.6
172.07573	7.8
172.11200	10.5
173.08081	0.4
181.08891	0.8
182.09650	31.9
183.08179	0.6
183.09944	0.8
184.07571	4.3
185.08287	2.0
198.09196	0.6
200.10698	96.7
201.11028	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	200.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99788	0.3
53.03954	0.7
55.05516	7.0
60.28770	0.3
65.03958	0.4
67.05511	0.9
69.03439	1.6
69.77225	2.2
70.27308	0.3
77.05375	0.3
79.05492	0.9
80.15282	0.3
81.07070	2.1
81.50984	0.4
83.04981	1.9
91.05513	0.4
92.04996	1.0
93.05785	1.9
94.06574	0.4
103.05494	0.6
104.05002	0.9
105.03384	1.7
115.05463	1.1
117.05768	2.1
117.07062	0.4
118.06557	4.7
120.04476	5.1
128.04927	0.9
129.07002	1.3
130.06535	42.5
131.06837	0.4
131.08527	0.6
132.04462	20.3
133.05246	0.4
134.06023	0.4
142.07759	0.6
143.07297	2.6
144.08095	6.0
145.05325	0.3
145.10040	0.7
146.06017	13.7
154.06509	0.9
155.08563	0.7
156.08150	1.7
157.07648	0.6
157.08897	7.6
157.10146	0.9
158.06021	100.0
158.09593	5.7
159.06769	4.1
160.07565	1.2
167.07321	13.1
168.07851	0.5
170.06035	5.4
170.09680	0.6
171.06783	0.7
172.07588	8.2
172.11205	10.9
181.08839	0.4
182.09665	32.3
183.08093	0.5
183.10069	0.6
184.07550	3.7
185.08340	1.8
198.09142	0.8
200.10715	98.8
201.11093	2.7
201.16318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.01871	0.4
55.05511	7.0
57.92137	0.2
58.70895	0.3
67.05516	1.1
69.03417	1.4
69.07063	0.3
77.03933	0.3
79.05498	0.8
81.03468	0.3
81.07072	2.0
83.04987	1.1
84.33772	0.3
85.73049	0.3
88.03188	0.3
89.03920	0.8
91.05476	0.6
92.04990	1.0
92.11006	0.3
93.05769	1.7
95.04973	0.6
98.21552	0.5
101.61545	0.3
103.05476	1.6
104.04997	1.2
105.03416	1.8
105.04482	0.3
105.07019	0.5
115.05473	3.0
117.05756	2.4
117.07013	4.4
118.06537	4.6
119.08670	0.3
120.04459	5.7
128.04961	0.7
128.06216	3.8
129.07002	2.4
130.06526	43.4
131.04935	0.8
131.06821	0.5
132.04453	19.0
132.08119	0.5
142.06644	0.4
142.07791	1.0
143.07298	3.7
144.04488	0.5
144.08058	5.5
145.02838	1.3
145.05284	0.8
145.06459	3.7
145.10123	0.8
146.06013	12.6
148.00705	0.3
154.06529	0.8
154.08640	0.4
155.06055	0.8
155.08572	0.8
156.08093	2.7
157.08884	6.8
157.10089	0.6
158.06012	99.3
158.09579	6.2
159.04408	0.9
159.06744	4.1
159.11693	0.5
160.07579	1.0
167.07310	13.6
168.07916	0.7
170.06001	5.2
171.06699	0.6
172.07576	7.8
172.11198	11.1
173.02344	1.0
173.05981	8.7
173.07668	0.4
173.08139	0.3
173.09686	0.6
176.07121	0.3
180.08098	0.7
181.08870	0.5
182.09657	30.3
183.10103	1.3
184.07564	3.2
185.08313	2.5
186.03110	1.1
198.09084	0.7
200.10703	100.0
201.01788	0.8
201.05469	7.4
201.09126	0.8
201.11055	3.3
201.16393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06923	0.8
53.03948	0.9
55.05517	7.2
63.91974	0.7
65.07237	0.8
67.05496	0.9
69.03425	1.7
69.94247	1.7
69.94636	2.6
70.86885	1.0
76.33216	0.8
81.07047	2.0
83.04968	2.3
93.05761	1.9
98.20776	1.0
103.05444	1.9
105.03376	2.2
115.05461	1.3
117.05761	2.6
118.06573	5.9
120.04483	4.8
124.52158	0.8
129.07001	1.4
130.06528	43.0
132.04462	19.8
143.07324	3.6
144.08073	6.6
146.06009	11.9
155.08476	0.8
156.08066	2.2
157.08881	7.7
158.06017	96.9
158.09576	5.9
159.06671	4.0
167.07310	13.5
168.07619	0.9
170.06029	6.2
172.07552	9.1
172.11198	10.5
182.09657	31.8
184.07561	3.3
185.08308	1.8
200.10704	100.0
201.11031	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	200.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98622	1.4
55.04180	1.3
56.96563	21.8
59.68031	1.2
69.67409	5.8
69.67815	3.1
71.95256	2.5
98.97587	100.0
101.00857	2.7
116.98618	76.3
119.01916	7.0
121.01634	1.6
128.98653	1.4
134.98647	2.6
134.99666	46.4
140.00215	2.4
143.00180	3.7
146.19893	1.8
153.00700	6.5
158.01266	5.3
158.99706	2.3
161.01215	2.4
162.99135	1.8
174.99084	1.8
176.02322	1.9
177.00833	7.5
195.01825	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	200.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	14.1
69.89120	10.5
71.95269	2.3
78.97005	1.8
98.97586	100.0
116.98624	77.9
134.99660	36.3
140.92960	1.8
153.00729	5.9
158.01237	5.0
177.00902	2.8
203.97054	5.6
212.92316	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	200.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05510	7.8
62.50792	0.5
66.84129	0.6
67.05513	0.7
69.03437	1.2
70.78972	1.4
79.05473	0.8
81.07070	2.3
81.52030	0.5
83.04993	1.2
92.05001	0.8
93.05794	1.6
103.05464	1.3
103.17503	0.5
104.04995	1.0
105.03401	1.7
105.06985	0.5
115.05458	0.9
117.05768	2.0
118.06542	4.5
120.04459	4.9
128.04945	0.6
129.06978	1.0
130.06529	41.2
131.06976	0.6
132.04463	20.7
132.08022	0.6
143.07323	4.1
144.04411	0.7
144.08081	6.8
145.10110	0.8
146.06023	10.6
154.06531	1.8
156.08107	1.6
157.08862	6.6
157.10043	0.8
158.06020	94.9
158.09587	4.4
159.06810	4.0
160.07555	1.8
167.07310	13.7
168.07721	0.7
170.06024	6.2
171.06836	0.8
172.07584	9.1
172.11214	11.9
181.08835	0.7
182.06221	1.0
182.09660	31.6
183.09917	1.2
184.07539	2.5
185.08302	2.4
198.09189	0.9
200.07088	12.7
200.10709	100.0
201.11057	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	200.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00409	1.5
50.16031	1.0
50.58156	1.2
56.96566	21.4
57.01970	1.6
57.03413	1.5
60.05626	1.6
61.02903	1.4
62.09737	1.2
67.60263	1.2
69.03425	2.9
69.07056	1.9
69.60669	8.5
70.06599	12.5
71.95248	1.7
72.08154	3.0
73.02910	2.6
74.52949	1.1
79.05541	1.5
84.04492	4.1
84.08153	8.9
85.02911	4.1
86.06089	2.0
86.09699	4.4
87.04448	2.1
96.08141	8.7
97.02895	2.5
97.06533	1.9
98.21544	2.4
98.97585	100.0
99.97885	1.4
100.07599	3.2
110.01234	1.9
110.07195	1.6
110.97575	1.6
112.08735	1.2
113.99963	1.2
116.00291	1.2
116.98618	83.8
117.98937	1.6
119.01850	3.1
126.19744	1.2
127.03924	1.4
128.02283	1.7
128.07077	7.6
128.98553	2.6
129.10220	5.1
131.01855	1.7
134.99661	51.5
137.05962	2.0
140.00185	2.6
140.07056	1.6
146.02299	1.3
152.02274	2.7
153.00694	7.8
155.02806	2.6
158.01254	5.8
158.99651	3.9
161.01187	1.5
161.02924	1.7
175.11882	1.5
176.02299	2.2
177.00661	5.0
177.02060	1.5
182.08131	1.6
183.11183	1.6
189.00708	1.8
191.03925	1.4
195.01721	3.5
200.02454	1.3
200.04256	2.0
200.12784	1.7
218.03418	2.1
219.01762	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	199.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01865	12.8
55.05510	52.0
57.03438	6.2
57.07064	3.8
59.04993	6.1
61.02914	8.3
65.03941	2.6
67.05502	31.1
69.03428	21.6
69.07067	33.0
69.46156	3.3
69.46570	7.3
70.06583	5.4
71.04995	14.4
72.04517	2.0
72.08145	3.8
73.06532	1.5
74.09708	8.8
77.08385	1.3
78.28759	1.4
79.05491	16.2
81.03384	1.3
81.06584	2.6
81.07045	34.7
82.07368	1.3
83.04977	17.5
83.08601	4.7
84.08129	2.0
85.02894	1.7
85.06548	24.4
86.09703	36.2
86.86686	1.2
91.05490	11.5
93.07041	44.4
95.03584	1.3
95.04973	7.0
95.08610	13.6
97.06523	25.2
97.10145	2.4
98.21547	1.5
99.04427	4.2
99.08091	3.5
100.02613	1.3
100.07590	1.7
101.05388	2.5
101.06013	37.7
105.07031	12.7
107.04937	1.7
107.08588	29.9
109.06509	16.8
109.10156	16.6
111.04441	6.7
111.08074	37.0
111.11665	2.1
113.05991	3.6
115.05428	1.9
115.07557	3.1
116.97227	6.4
117.07021	4.0
119.08583	12.9
121.06514	2.2
121.10141	67.3
122.10426	1.8
123.08071	7.7
123.11735	9.2
125.05972	3.3
125.09595	1.9
127.07550	69.4
128.06232	5.8
128.08112	1.8
129.05460	8.5
129.07001	6.1
130.07733	2.3
131.44397	1.5
131.99529	2.0
135.08139	2.3
135.11673	23.1
137.09630	2.5
139.03857	4.3
139.07576	9.3
139.11176	100.0
140.04660	8.9
142.07776	5.6
143.08545	11.9
145.10110	26.5
152.96935	2.4
153.11507	2.7
153.12738	37.7
155.07040	2.4
155.08498	1.5
156.09323	3.6
157.06499	2.4
157.10123	12.9
158.94203	1.3
163.11177	49.2
169.10133	1.7
171.04408	2.1
171.07979	1.8
171.11678	5.0
172.11188	2.4
175.98514	4.6
181.07581	2.0
181.10614	2.5
181.12231	51.9
182.08112	2.0
184.08849	1.4
184.12485	1.6
199.07524	5.0
199.11253	6.3
199.13255	20.3
199.14848	17.6
199.18895	42.9
200.26901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0382
Annotation	Avicequinone B
Peak:m/z	Relative Intensity
51.02161	0.1
51.02380	0.1
55.01869	0.2
55.05527	0.3
57.07071	0.2
63.02404	0.3
65.03943	0.3
67.05519	0.1
69.07056	0.2
70.07427	0.1
71.52901	0.1
72.04522	0.1
74.09718	0.5
75.02382	0.1
79.01840	0.1
83.08611	0.3
84.08950	0.1
89.03903	0.8
89.04411	0.1
91.05461	0.1
95.04986	0.1
97.10194	0.1
100.07614	0.1
103.05446	0.2
105.03443	0.1
106.24371	0.1
111.04443	0.1
115.05453	28.3
116.05781	0.3
117.07072	0.1
122.31685	0.1
127.05395	0.1
128.06223	5.2
129.03349	0.1
129.07018	0.6
131.04935	0.3
141.07002	0.3
142.04103	0.1
142.07550	0.4
143.04922	8.1
143.08562	2.4
145.02838	0.3
145.03894	0.1
145.06500	0.4
152.06215	0.5
153.06990	0.9
154.07759	0.3
155.04933	0.1
155.06027	0.3
155.08569	0.5
156.05669	0.4
156.08096	0.1
156.09323	0.2
157.06499	0.3
157.10080	0.2
159.04408	0.4
169.06470	0.3
170.06909	0.3
171.04408	82.0
171.08017	1.9
172.04781	0.9
181.06435	0.3
184.05200	0.6
184.06770	0.1
184.07413	0.1
184.08849	0.1
197.06050	0.1
198.06413	0.3
198.18550	2.3
199.03906	100.0
199.07492	13.0
199.18857	2.2
200.04266	1.3
200.07878	0.1
217.04944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21686	0.1
51.02384	0.2
55.01863	0.3
55.05499	0.5
63.02372	0.3
65.03942	0.3
65.98534	0.2
66.61388	0.1
67.67660	0.2
69.07063	0.3
69.69661	0.8
69.70071	0.3
74.09713	0.6
81.07071	0.2
83.04964	0.2
89.03911	0.6
91.05479	0.3
91.59421	0.1
92.63537	0.1
100.07602	0.2
103.05423	0.2
114.60551	0.1
115.05452	28.7
116.05787	0.4
118.06518	0.2
127.05403	0.2
128.06224	6.6
129.07072	0.9
130.06535	1.4
131.04892	0.5
132.04440	0.7
141.06998	0.5
142.04132	0.2
142.07741	0.2
143.04918	7.7
143.07390	0.2
143.08560	4.1
144.08049	0.3
145.02821	0.4
145.06502	0.6
146.05994	0.3
152.06204	0.6
153.06993	1.0
154.07733	0.2
155.06049	0.5
155.08559	0.9
156.05666	0.6
157.06459	0.2
157.08875	0.3
157.10071	0.3
158.06012	3.1
159.04433	1.6
159.06787	0.3
167.07278	0.3
169.06445	0.2
170.05798	0.2
171.04407	77.0
171.07870	2.8
172.04782	2.8
172.07535	0.2
172.11183	0.5
181.06461	0.3
182.09647	1.2
184.05283	1.2
184.07510	1.2
198.06340	0.2
198.09200	0.2
199.03905	100.0
199.07529	18.6
199.18852	3.2
200.04260	3.7
200.07733	0.3
200.10698	3.1
210.34882	0.2
217.04919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66151	0.2
50.67199	0.3
55.01877	0.3
55.05508	2.1
57.07076	1.5
57.93520	0.2
65.76790	0.3
67.05486	0.4
69.07067	2.6
69.26911	1.5
69.27328	0.8
70.06586	0.3
71.08647	0.4
72.04511	0.3
74.23215	0.2
75.33469	0.2
78.66687	0.3
79.05487	0.4
81.07053	0.6
83.08622	2.2
93.07047	0.3
95.08601	0.5
97.10176	0.9
107.08557	0.4
114.09123	0.3
115.05447	2.9
116.97221	0.8
129.07021	0.3
141.05646	0.2
142.06519	86.5
143.06831	1.9
152.96901	0.4
154.06555	0.3
155.07295	0.4
156.08083	4.6
160.07579	32.3
161.07957	0.6
168.08090	0.5
170.09666	0.4
171.04445	0.8
175.98589	0.5
182.09688	0.3
183.06813	0.7
183.09142	1.6
183.10490	0.5
198.09143	2.4
198.12776	100.0
198.18524	37.6
199.03893	1.0
199.13086	3.4
199.18887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0761
Annotation	3,4-Dihydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03932	0.9
55.01868	0.6
55.05506	6.6
55.23119	0.5
56.05029	1.4
56.96547	1.4
57.07062	4.2
58.06568	0.7
58.28685	0.5
65.03943	0.8
65.34452	0.4
67.05492	2.6
68.05016	1.1
69.03402	1.0
69.07069	5.9
69.21520	5.5
70.06590	4.9
70.95833	0.5
71.08614	1.0
72.04498	0.8
72.08141	2.3
72.93777	0.7
74.02429	3.0
74.06066	1.1
79.05064	0.8
79.05490	6.3
80.05013	2.1
81.03423	1.2
81.07050	2.7
82.06560	1.0
83.04961	1.4
83.08619	5.0
84.04491	1.5
84.08147	5.0
85.02895	1.1
85.08471	0.8
86.06055	1.8
86.09702	0.6
88.52380	0.5
91.05470	2.4
92.05803	0.6
93.03372	0.7
93.07037	1.2
94.06561	1.5
95.04955	1.9
95.08606	1.0
96.04470	0.6
96.08129	0.8
97.06535	1.1
97.10155	2.0
98.21471	1.1
98.97566	1.4
99.80649	0.5
100.07613	1.3
103.05410	0.7
105.03377	3.8
106.06554	9.0
107.04956	23.7
107.08581	1.0
108.05775	1.1
109.02878	1.5
109.06503	0.6
110.06063	0.9
111.04431	3.2
114.09176	0.6
116.97195	2.1
116.98631	1.3
118.06543	2.2
119.04932	0.7
120.08099	3.6
121.08432	0.9
121.10209	0.6
123.04378	0.9
124.07589	1.2
125.05978	1.6
125.07117	2.1
129.10254	1.1
134.03152	1.0
134.06010	11.6
134.99657	0.9
135.04414	23.6
136.07602	1.3
137.05936	0.6
138.05435	0.7
138.06386	0.9
139.03915	5.4
150.96872	0.9
151.97061	0.7
152.07062	44.3
152.96887	0.7
153.05487	0.8
153.07404	0.8
158.99763	0.6
163.03893	2.1
170.07979	0.5
174.98808	0.8
175.98531	0.8
180.06520	6.8
181.04993	4.0
181.09772	3.2
198.07585	7.0
198.11368	3.3
198.18530	100.0
199.10690	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	1.0
58.99581	0.2
60.77748	0.2
68.05030	0.3
70.06594	100.0
71.01338	0.5
71.06927	0.8
73.02925	0.3
95.06094	0.4
98.06060	0.9
98.97583	0.5
101.00906	0.8
110.07182	0.4
116.98595	0.4
119.01926	2.1
128.05569	0.6
130.32158	0.2
132.03445	0.2
134.99693	0.3
137.02943	0.6
146.06630	0.9
151.04520	0.2
152.05621	0.5
156.05101	0.5
170.06631	14.5
171.06758	0.4
180.05017	1.0
188.07678	5.6
190.05672	0.3
193.08228	0.4
198.06126	10.4
198.18459	1.8
216.07184	22.5
217.07365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1536
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
50.11036	1.0
51.02361	1.1
53.03941	2.8
55.01866	1.6
55.05511	17.3
55.18959	1.0
57.03421	2.1
57.07072	8.8
58.63572	1.2
59.04998	1.3
65.03952	1.2
67.05503	33.8
69.03428	20.7
69.07066	38.0
70.95869	7.4
71.04998	6.9
71.08633	2.0
72.93781	3.8
73.02888	1.3
79.05488	8.0
81.07055	34.4
83.04979	16.8
83.08617	18.4
85.06540	37.5
91.05492	9.8
93.07037	13.8
95.04981	9.9
95.08606	100.0
96.08926	1.8
97.06542	11.4
97.10188	1.9
99.04443	1.8
99.07490	1.8
99.08086	19.7
105.03383	2.2
105.07036	10.5
107.08593	16.0
109.00581	1.1
109.06509	12.8
109.10155	18.9
111.04382	1.4
111.08058	9.0
111.21156	1.0
111.98459	4.1
113.05992	3.1
113.08252	2.3
113.09635	17.7
119.08569	14.3
121.10147	10.3
121.29958	1.2
123.04465	2.0
123.08057	14.9
123.11699	3.5
125.09626	1.2
127.07544	5.6
129.99512	3.5
132.95833	6.4
133.02820	1.9
133.10133	16.1
135.11690	13.3
137.05977	7.3
137.08276	1.3
137.09621	8.9
137.13280	5.9
139.11203	2.4
141.06992	1.9
141.09111	6.3
150.96886	18.9
151.03886	3.4
151.07527	2.2
151.11218	5.3
151.14813	2.8
153.07014	1.6
154.07779	2.0
155.08458	2.7
155.10591	1.8
155.97459	7.2
161.09616	4.9
161.13219	8.3
167.08572	2.5
169.10051	3.5
173.98474	13.4
178.51225	1.1
179.08499	2.4
179.10623	9.4
179.14307	10.0
182.05760	1.4
182.07253	1.7
182.10913	3.1
195.87888	0.9
197.00043	1.7
197.04428	1.7
197.05991	3.5
197.08115	3.8
197.09665	6.9
197.11684	6.9
197.13332	9.0
197.15373	31.1
197.17162	1.1
198.09210	2.6
198.18524	25.8
209.55478	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1536
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
53.03942	1.8
55.01866	4.2
55.05512	28.9
57.03430	3.2
57.07070	4.3
65.03928	2.7
67.05505	38.2
69.07069	25.2
69.85297	5.8
69.85704	2.4
70.95858	4.6
71.04993	15.5
72.93777	4.2
79.05496	20.7
80.18629	1.2
81.07055	83.3
83.04980	7.6
83.08617	23.9
85.06547	16.4
87.04474	1.4
88.96877	1.7
91.05481	23.1
93.07043	25.1
95.04970	3.9
95.08608	100.0
97.02924	1.3
97.06530	33.2
97.10180	9.5
98.21513	1.5
99.08073	5.3
105.03386	1.4
105.07027	26.6
107.08594	13.4
108.25237	1.4
109.06509	6.8
109.10147	9.4
111.08111	6.3
111.98476	4.7
117.07038	1.9
119.08586	38.1
121.10139	12.3
123.08075	7.9
125.09644	1.6
127.07587	1.5
129.99509	2.5
132.95833	8.2
133.10138	28.3
135.11696	24.6
137.09555	3.1
137.13258	24.4
141.06964	2.6
141.09114	1.4
142.62599	1.4
150.96866	15.4
151.11203	1.9
155.97450	4.8
161.13251	68.3
167.08539	1.8
169.10085	1.7
173.98482	10.9
179.10759	4.8
179.14310	34.7
180.14563	1.5
182.07243	2.1
185.49165	1.3
197.06125	2.2
197.07945	12.2
197.09676	8.1
197.11697	2.8
197.13338	3.7
197.15388	13.4
198.09236	1.9
198.18532	20.5
218.10837	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03949	1.1
55.01865	1.2
55.05517	2.4
59.04995	1.1
61.02933	1.7
62.55581	0.6
65.03939	0.8
67.05512	4.0
69.03429	1.6
69.07084	0.9
70.95867	2.4
71.05006	1.2
72.93786	1.4
73.02919	1.1
75.39940	0.6
79.05492	8.4
81.07059	8.0
87.04462	0.9
91.05485	15.3
91.27505	0.6
93.07042	19.1
95.04964	3.0
95.08614	6.4
97.02950	0.7
97.06514	1.9
99.04494	1.0
105.03362	0.8
105.07028	26.0
107.04977	0.8
107.08595	100.0
108.08907	1.2
109.06516	4.2
109.10135	3.9
111.98466	2.5
113.08247	0.8
115.05479	1.2
117.07023	1.2
119.04924	1.6
119.06116	0.8
119.07706	0.7
119.08577	15.2
121.06495	2.3
121.10142	17.9
123.04408	1.1
123.08051	1.5
123.11689	3.0
125.05969	0.9
125.09640	2.2
128.06194	1.3
129.99544	1.9
131.08537	2.7
132.84052	0.7
132.95833	2.9
133.02812	0.7
133.10130	59.8
135.11725	3.4
137.05951	4.9
137.08360	0.6
137.09592	2.8
138.06567	0.8
139.07535	3.6
143.08563	1.6
149.09616	9.9
150.96875	7.0
151.03845	1.1
151.07558	3.5
151.11188	17.1
152.04695	0.9
155.97447	3.0
161.09622	18.5
161.78053	0.7
167.10680	26.2
169.10048	0.7
173.98514	3.5
179.10672	39.0
182.05731	2.7
197.11723	52.1
198.12029	0.8
198.18578	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
52.98186	0.7
53.03927	1.3
55.01862	1.7
55.05498	3.6
57.07068	1.3
59.04984	2.7
65.03928	1.0
67.05509	5.2
69.03424	1.4
69.07052	2.3
69.94785	3.5
70.95850	3.1
71.04975	1.4
72.93784	1.3
74.17053	1.0
79.05480	7.1
80.18890	0.8
81.07050	7.8
83.04948	1.8
85.06541	0.9
87.04449	1.7
91.05477	16.4
93.07038	23.8
95.04966	8.1
95.08598	4.1
97.06507	1.4
99.04443	2.2
99.08126	0.9
105.03413	0.8
105.07027	27.9
107.08588	61.0
108.08931	1.0
109.06514	6.6
109.10155	5.9
111.98452	2.0
117.07022	2.1
119.04914	2.4
119.08567	9.1
120.73594	1.0
121.06492	5.1
123.04415	3.4
123.08080	2.1
123.11695	3.6
125.05977	4.7
127.03878	2.5
128.06239	1.2
129.99510	1.4
131.08521	1.8
132.95831	4.9
133.06558	1.1
133.10124	67.8
135.08044	1.8
135.11684	58.4
137.05986	11.4
137.09610	4.6
140.04694	1.7
141.06963	1.3
143.08563	1.5
146.07288	2.5
150.96878	6.2
151.03880	1.1
151.11159	6.4
153.08908	1.0
154.07796	1.0
155.07005	2.7
155.08273	0.9
155.97401	2.5
161.09604	34.3
166.37079	0.9
169.10190	1.1
173.98471	4.7
179.03496	1.0
179.10663	100.0
196.52232	0.8
197.11717	72.4
198.11842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	(+)-Loliolide
Peak:m/z	Relative Intensity
51.80660	0.7
53.03939	1.7
55.01864	6.3
55.05511	21.5
57.03436	1.0
60.04509	0.8
62.61553	0.6
67.05494	3.3
69.03433	3.9
69.07052	2.4
70.06594	0.9
70.95859	5.3
70.96761	1.4
70.97093	0.9
71.04979	1.3
72.93802	3.8
79.05479	5.8
81.03425	1.0
81.06591	1.3
81.07055	19.9
83.04965	1.8
84.04498	1.7
84.08186	1.1
85.06532	1.1
86.09734	0.7
88.96894	1.2
91.05476	4.8
93.07046	3.8
95.04950	2.6
95.08582	1.9
97.06541	8.3
99.04459	12.5
105.03363	2.0
105.07041	7.6
107.04992	0.9
107.08591	7.7
109.06516	10.3
109.10152	2.6
111.04425	1.4
111.98471	3.7
113.08227	2.9
115.05476	0.9
117.07019	1.2
119.04913	0.8
119.08578	2.5
123.08103	1.2
125.05992	94.6
125.93182	0.8
126.06337	1.0
127.02967	1.6
127.03915	32.8
127.07523	1.0
128.06239	1.4
129.99522	2.9
132.95828	7.9
133.10139	11.4
135.11696	3.7
137.05977	100.0
137.09567	4.4
138.06381	1.3
143.08557	5.4
145.04988	1.2
146.07312	0.9
147.04413	1.2
147.83281	0.8
150.96886	12.2
151.03889	3.5
151.11215	3.7
155.09315	1.4
155.97433	5.4
161.09630	13.0
161.13249	1.4
165.05588	0.7
167.08757	0.8
169.10094	0.8
173.98466	9.9
179.07072	1.9
179.09128	1.3
179.10667	17.9
197.00096	0.7
197.05959	1.4
197.11713	14.2
197.13246	1.8
197.15408	0.8
198.18524	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	196.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
56.96554	0.3
67.05496	0.7
68.05814	0.3
69.07066	0.4
70.06590	0.2
70.95866	0.4
71.51913	0.3
71.84004	0.1
72.93785	0.5
79.05495	0.5
79.28916	0.2
80.05840	0.2
81.03436	0.2
81.07052	0.6
82.07401	0.3
83.05017	0.2
91.05479	0.2
92.05813	0.3
93.07042	0.3
94.07388	0.2
95.08619	0.2
96.08939	0.2
97.06532	0.2
103.22736	0.2
105.07036	0.2
107.08569	0.4
111.98483	0.5
113.96451	0.2
114.44072	0.1
119.05048	0.1
125.39314	0.2
129.99487	0.3
131.96129	0.3
132.95847	0.5
133.10136	0.2
134.10484	0.2
135.08047	0.2
136.12062	0.3
137.05957	0.2
142.06509	0.3
149.97180	0.5
150.96906	1.3
155.97415	0.6
159.35754	0.2
166.08722	0.2
167.07310	0.4
168.07993	0.2
169.21046	0.2
170.09679	0.2
173.98518	1.1
180.08086	12.0
181.08864	49.6
182.09235	0.6
191.05156	0.2
194.09674	0.4
195.10413	0.3
196.11220	100.0
197.11569	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	196.112
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	0.2
70.95863	0.4
71.42589	0.2
71.42935	0.2
72.93768	0.1
81.07048	0.1
84.52605	0.1
91.05463	0.2
111.98445	0.2
115.05463	0.3
131.96176	0.2
132.95827	0.3
141.07069	0.1
142.06526	1.5
149.97185	0.3
150.96892	0.9
154.06519	0.6
155.97379	0.3
156.08020	0.2
160.07582	0.4
166.06494	0.2
167.07304	3.2
167.08656	0.3
168.08025	0.6
173.98509	0.6
180.08084	13.6
181.08858	100.0
182.09206	2.2
194.09648	0.4
195.10342	0.5
196.07487	0.6
196.11217	22.6
196.16995	0.4
197.11560	0.5
200.17499	0.1
207.44655	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	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03928	3.2
55.01869	7.4
55.05512	35.4
55.38304	1.0
57.03441	13.3
57.07071	10.6
58.40097	0.9
59.04983	2.9
65.03921	2.7
67.05504	16.2
68.99769	2.6
69.03427	16.8
69.07067	100.0
71.04993	5.3
71.08608	2.4
71.53382	1.0
73.06540	4.6
77.03921	1.3
79.05490	17.3
81.03387	3.4
81.07053	37.7
83.04981	13.0
83.08619	26.6
85.02912	6.2
85.06538	4.3
85.10167	1.5
89.03914	4.5
89.06026	3.3
91.05485	9.3
93.03380	1.7
93.06488	1.8
93.07046	28.1
95.04961	4.4
95.08604	40.1
97.02892	1.3
97.06525	12.7
97.09591	0.7
97.10177	16.8
99.08079	6.5
103.05455	1.8
105.07043	7.3
107.04948	29.4
107.05632	1.9
107.08587	38.4
109.02893	1.5
109.06507	1.9
109.10155	15.6
111.04433	4.5
111.08078	25.2
111.11705	3.7
117.03372	7.4
119.08576	2.3
121.06520	2.8
121.10140	52.9
123.08078	1.4
123.11702	10.0
125.02321	1.5
125.05961	3.2
125.09629	37.3
131.08562	1.9
132.23900	1.1
133.02878	1.2
133.10095	1.4
134.03616	1.8
135.04413	11.5
135.08054	2.5
135.11693	28.4
137.09608	2.1
137.13246	18.2
138.06607	2.4
139.07590	2.1
139.11171	26.5
145.02831	14.1
145.03882	2.4
149.05971	5.7
149.09613	2.3
149.13251	7.7
151.03975	1.3
151.14798	3.1
152.04774	1.4
152.06146	2.1
153.05478	10.1
153.09177	1.1
153.12746	2.6
159.11700	1.8
163.03902	12.3
164.04141	1.2
165.06975	2.6
167.03438	1.3
167.07028	5.2
167.08441	1.7
169.21011	1.2
171.03015	1.1
177.05463	16.6
177.09171	2.0
177.12828	1.8
177.16383	27.2
180.09375	2.3
181.08936	1.4
195.02881	10.2
195.06628	8.3
195.08264	5.3
195.10159	5.6
195.11684	4.3
195.13724	3.3
195.15643	1.8
195.17447	35.2
196.11311	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03932	6.7
55.01877	10.5
55.05511	35.1
57.03424	3.9
57.07084	11.5
62.27757	2.4
63.80976	1.8
65.03915	4.3
67.05242	1.9
67.05509	25.3
69.03435	18.5
69.07069	68.9
70.06580	2.1
71.05006	14.4
79.05491	25.6
81.03410	4.6
81.07057	62.3
83.04975	6.9
83.08617	31.8
85.02901	7.4
85.06533	11.1
89.03886	15.8
89.05997	2.8
91.05466	12.8
93.06484	3.6
93.07043	47.2
95.04966	6.1
95.08612	82.2
97.02884	2.2
97.06516	7.9
97.10178	16.1
99.08094	99.7
105.07028	10.5
107.04961	26.2
107.08592	55.6
109.06571	3.4
109.10148	20.5
111.04429	5.9
111.08073	36.2
111.11739	5.8
113.09639	4.3
117.03372	23.9
117.07016	2.6
119.08586	3.6
121.06493	5.8
121.10148	85.6
123.08056	4.1
123.11743	11.5
124.05251	2.3
125.06001	5.2
125.09628	58.0
131.08562	2.4
133.10141	3.2
134.03633	4.4
135.04416	11.9
135.08046	4.6
135.11674	30.5
137.13274	31.1
138.06560	2.4
139.11165	9.9
144.69171	2.2
145.02844	54.8
149.05995	19.1
149.09610	5.4
149.13217	9.9
153.05470	18.6
159.11655	5.0
163.03906	17.5
165.06995	6.2
167.07074	2.5
167.08478	3.7
177.05476	72.2
177.09079	3.4
177.12816	6.1
177.16396	100.0
178.05740	3.0
178.16660	3.3
195.02852	3.5
195.06485	10.8
195.08194	6.1
195.10162	4.8
195.11739	4.8
195.13832	5.9
195.17455	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.13190	0.8
52.23503	0.7
53.03944	4.5
54.47184	0.7
55.01876	3.6
55.05511	19.9
55.46209	0.7
56.78017	0.7
56.96584	4.8
57.03443	6.3
57.07078	1.9
59.05008	0.9
65.03943	3.1
67.05506	58.9
68.99794	0.8
69.03432	3.0
69.07067	17.9
69.07423	1.5
69.80888	3.8
70.06595	1.2
71.01344	2.4
71.04990	5.3
73.02904	0.8
74.26112	0.7
79.05495	44.5
80.05837	1.3
81.03423	14.7
81.07058	100.0
82.07389	1.3
83.04984	11.7
83.08620	10.0
84.08138	2.4
85.02905	4.0
85.06534	3.9
87.04479	1.2
88.73140	0.7
89.03907	2.4
89.06033	3.9
91.05482	38.1
93.03416	0.7
93.07045	62.4
94.07368	1.7
95.04977	10.8
95.08609	37.0
96.08946	0.9
97.02895	1.7
97.06525	10.9
97.10159	1.1
98.21464	1.3
99.04474	1.6
99.08108	2.6
101.06007	1.4
103.05480	1.3
105.03383	1.4
105.04510	1.1
105.07033	14.5
106.04194	1.0
107.04959	29.9
107.07877	1.7
107.08596	29.8
109.06491	4.7
109.10139	5.9
110.21809	0.7
111.04431	2.1
111.08092	6.0
113.06019	1.6
115.05444	1.2
117.03371	3.7
117.07018	11.1
118.28717	0.7
119.04951	0.8
119.08582	4.2
121.02898	0.9
121.06508	8.0
121.10134	12.1
123.08058	1.5
123.11732	3.2
124.05178	0.9
125.06001	1.8
125.09579	1.5
127.07526	1.0
129.06987	1.2
131.08588	12.0
133.02847	1.5
133.06531	1.0
133.10132	23.9
135.04413	11.2
135.08070	5.8
135.11696	37.3
137.05966	1.9
137.09644	1.0
138.06648	1.4
139.03836	1.0
139.07568	2.1
145.02835	7.7
145.03984	2.0
147.11626	1.1
148.97383	2.4
149.06017	4.6
149.09602	2.8
149.13264	16.5
149.97116	1.3
151.11201	3.7
152.04774	0.7
152.06184	1.0
153.05493	3.7
153.09128	1.3
159.11688	16.8
163.03922	17.9
163.07690	0.8
165.07004	2.3
167.03473	1.1
167.07068	3.9
167.08505	1.1
168.03777	0.8
171.98880	1.3
177.04018	1.3
177.05475	11.0
177.09113	1.8
177.12752	13.3
177.16357	2.0
179.08577	1.2
180.08035	11.0
180.09265	0.9
181.08858	48.1
195.02914	4.3
195.06757	5.0
195.08408	3.1
195.10391	3.5
195.11746	2.9
195.13806	18.2
195.15601	1.0
195.17427	1.5
196.11220	96.5
201.58438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.50018	1.3
52.87371	1.3
53.03939	4.5
55.01863	4.8
55.05512	21.1
57.03442	7.3
57.07063	4.0
59.04993	1.7
60.98132	1.4
64.52811	1.5
65.03933	3.4
67.05507	75.5
68.30122	1.3
68.96320	3.6
69.03432	3.9
69.07072	17.5
69.83398	8.4
70.06585	2.5
71.01344	2.5
71.04997	7.7
79.05496	77.2
80.05803	1.7
81.03416	14.4
81.07059	100.0
83.04989	29.8
83.08620	9.5
84.08143	1.8
85.02896	3.0
85.06543	4.4
89.03909	2.1
89.06027	11.6
91.04925	1.8
91.05483	34.7
92.05769	1.9
93.07050	76.5
95.04971	17.3
95.08607	50.3
97.06538	21.5
97.10207	2.1
98.21495	2.4
99.08082	2.4
99.98800	1.5
103.05459	2.7
105.07037	16.4
107.04962	13.6
107.07893	2.0
107.08599	35.2
107.37212	1.4
109.06515	7.1
109.10144	5.7
109.98959	2.5
111.04456	5.6
111.08081	7.7
113.09633	2.0
113.96350	2.2
117.03374	3.7
117.07027	18.1
119.08573	7.6
121.06517	8.2
121.10159	13.5
123.08054	4.1
123.11700	2.4
125.06009	7.1
130.96294	2.6
131.08559	18.4
131.96155	4.7
133.06496	1.6
133.08618	3.0
133.10149	20.3
135.04454	3.7
135.08067	10.0
135.11690	35.9
135.36369	1.4
138.06641	4.6
139.07549	2.9
145.02834	5.7
148.97331	7.3
149.05997	3.6
149.09604	5.7
149.13260	28.0
149.97165	10.8
151.11188	2.1
152.06128	2.0
153.05492	2.3
153.09163	1.6
153.97896	2.8
154.97769	1.7
159.11687	24.4
163.03937	6.9
165.07002	11.0
167.07082	2.0
167.08548	3.4
167.98184	1.7
171.98938	5.3
172.98805	6.6
177.05450	11.2
177.09172	1.5
177.12772	19.6
177.16388	2.8
180.09311	8.9
195.02916	3.6
195.06494	2.8
195.08160	7.8
195.10085	2.3
195.11694	16.6
195.13797	33.4
195.15581	2.9
196.07585	4.1
196.09657	3.2
196.17012	3.1
214.02780	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	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03931	4.6
55.01883	7.4
55.05511	16.1
56.96553	2.9
57.03431	4.8
57.07059	3.6
65.03931	3.9
66.04269	1.8
67.05504	51.2
68.96342	2.2
69.03410	2.0
69.07068	14.9
69.48937	10.3
70.06586	2.6
70.94225	1.6
71.01340	4.0
71.04990	7.5
77.03918	2.0
79.05490	38.5
81.03419	9.5
81.07053	100.0
82.07380	2.1
83.04985	16.4
83.08611	9.4
84.08132	4.5
85.02888	2.1
85.06532	5.3
89.03895	4.0
89.06036	8.5
91.05487	22.5
92.50192	1.3
93.07040	58.9
95.04953	10.9
95.08601	40.0
97.06527	12.0
97.10171	1.9
99.08112	3.1
103.05485	1.6
105.04537	1.4
105.07015	11.6
106.07431	1.8
107.04959	20.6
107.07017	1.3
107.08593	26.6
109.06504	4.0
109.10159	4.2
109.98972	2.1
111.04448	1.9
111.08089	7.8
113.09637	1.9
117.03364	4.5
117.07014	9.3
119.08572	3.0
121.06493	6.3
121.10134	13.7
123.08066	2.9
125.05989	2.9
125.09612	2.7
129.06990	2.1
130.96370	2.4
131.08559	12.3
133.10120	13.1
135.04436	10.8
135.08064	7.8
135.10696	2.7
135.11682	35.5
137.09618	2.5
138.06589	2.9
139.60367	1.3
145.02867	8.3
145.03900	2.1
148.97348	6.4
149.05962	4.4
149.09679	3.5
149.13246	21.8
149.97183	6.0
150.02702	1.6
151.11143	2.5
152.14325	2.0
153.05464	3.9
153.97864	2.8
159.11690	18.7
163.03920	12.4
163.07484	2.2
165.06990	5.1
167.07140	3.0
167.08511	2.9
168.03696	2.7
171.98889	3.3
172.98830	2.4
177.05467	13.1
177.09108	2.4
177.12737	17.4
179.08536	1.6
180.09323	3.6
181.08841	2.9
192.10268	1.5
195.02859	3.7
195.04953	1.4
195.06458	5.9
195.08235	9.7
195.10158	2.3
195.11722	9.5
195.13795	17.1
195.15594	2.6
196.07526	3.3
196.16948	1.6
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
53.03940	3.8
54.79786	0.8
55.01867	3.8
55.05513	14.2
56.96553	2.3
57.03446	4.4
57.07069	2.3
65.03943	4.8
66.04269	1.4
67.05508	52.0
68.99778	1.0
69.03438	2.3
69.07070	13.5
70.06599	1.5
70.94257	1.0
71.01355	2.3
71.04986	6.9
71.52599	1.5
72.93770	1.3
79.05495	38.3
81.03430	9.4
81.07058	100.0
82.07401	2.1
83.04976	11.0
83.08621	9.8
84.08147	1.4
85.02907	2.1
85.06556	4.4
89.03897	1.3
89.06046	7.1
91.05483	24.7
93.07045	64.4
94.03749	1.5
94.07396	1.1
95.04968	6.4
95.08608	46.1
96.08926	1.2
97.02899	1.1
97.06532	11.5
97.10184	1.1
99.04477	1.3
99.08111	3.0
103.05450	2.3
105.07039	12.1
107.04958	18.0
107.07069	1.2
107.08595	25.9
109.06531	4.6
109.10152	4.2
109.98917	1.4
111.08074	6.2
113.05988	1.1
113.96385	1.1
117.03407	3.6
117.07001	9.5
119.06075	0.8
119.08588	4.5
121.02861	1.4
121.06504	7.2
121.10146	11.0
122.03201	3.4
123.04428	1.1
123.08104	1.6
125.05998	1.8
125.09701	1.0
129.07016	1.2
130.96350	1.4
131.08574	11.2
131.96138	1.9
133.10130	15.3
135.04413	4.5
135.08047	7.2
135.11696	38.8
137.06026	1.0
137.09610	1.5
138.06665	3.0
139.07536	2.0
139.11046	0.9
145.02867	4.5
148.97346	4.7
149.02306	1.2
149.05995	2.7
149.09639	3.6
149.13254	19.2
149.97234	4.8
150.02663	2.3
151.11182	2.0
153.05452	1.9
153.09140	1.2
153.97940	1.5
159.11691	17.3
163.03937	8.8
163.07655	1.6
165.05243	0.8
165.06998	4.5
167.03467	1.5
167.07059	2.3
167.08452	1.6
167.98250	1.0
168.03720	4.8
171.98979	3.1
172.98824	1.6
177.05505	9.3
177.09117	2.0
177.12755	14.0
177.16409	2.1
180.09412	2.3
181.08858	1.5
195.02895	4.1
195.04773	1.0
195.06499	2.7
195.08574	3.9
195.10204	2.6
195.11732	6.3
195.13818	17.4
195.15552	1.6
196.07570	1.1
196.11185	1.4
196.16937	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03931	9.1
55.01863	3.3
55.05512	18.4
56.96565	5.2
57.03442	37.1
57.07069	5.5
57.20662	1.9
65.03936	4.5
67.05505	44.9
68.96328	3.5
68.99781	3.8
69.03424	6.2
69.07061	17.0
70.06593	5.5
71.04982	7.3
71.52037	3.9
73.06546	2.9
74.39251	2.1
77.03927	3.2
79.05490	48.0
81.03397	6.3
81.06653	3.5
81.07065	38.0
83.04984	7.4
83.08633	5.5
84.08109	2.7
85.02905	6.7
85.06544	38.1
89.03945	5.2
89.06035	25.8
91.05481	18.6
93.03428	2.6
93.07042	71.7
95.04979	21.4
95.08610	53.2
97.06540	11.2
97.10173	2.7
98.06049	2.3
103.05464	3.5
105.07030	32.0
106.04170	2.7
107.04955	93.2
107.08595	46.5
109.06511	8.3
109.10175	5.9
109.98936	2.7
111.04449	6.7
111.08096	16.8
114.52911	2.2
115.05440	2.7
117.03363	8.4
117.06995	6.4
119.08576	9.0
121.02804	2.7
121.06480	10.5
121.10156	23.6
123.04448	2.6
123.08070	100.0
123.11677	3.1
124.05192	4.8
125.05969	11.1
125.09588	2.4
127.07545	2.9
130.96327	3.5
131.08586	11.9
133.02844	4.5
133.06470	5.5
133.08624	4.7
133.10136	27.6
134.03571	4.3
135.04427	30.8
135.08058	18.6
135.11691	83.2
135.12730	4.9
137.09601	5.6
138.06642	13.0
139.07524	5.6
139.11230	3.9
145.02846	18.5
145.03914	4.2
148.62492	2.6
148.97337	8.4
149.05980	14.5
149.09630	9.2
149.13274	17.9
149.97180	4.0
151.11145	3.7
152.06091	6.4
153.01849	2.6
153.05458	9.5
153.09087	4.5
159.11749	18.3
161.06448	3.7
163.03894	46.7
163.07567	4.4
165.05640	3.7
165.07014	9.8
167.03485	5.1
167.07018	11.5
167.08455	4.8
171.98953	7.4
177.05487	33.6
177.06931	4.6
177.09045	3.7
177.12740	74.5
177.16328	7.3
178.13145	2.8
180.04134	3.2
180.09297	3.5
186.05588	2.2
195.01163	2.6
195.02887	11.9
195.06465	15.4
195.08414	20.0
195.10214	4.1
195.11711	15.9
195.13795	58.7
195.15688	5.3
195.17508	6.5
196.07593	8.9
196.09581	5.6
196.11185	5.6
196.16943	4.9
207.87109	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	F 11334A3
Peak:m/z	Relative Intensity
53.03925	8.4
55.01874	26.4
55.05508	24.1
57.03446	18.7
57.07072	14.6
58.53325	2.7
65.03925	14.6
67.01852	5.1
67.05506	50.7
67.29251	3.4
68.99787	8.5
69.03426	29.6
69.07068	30.2
70.06590	4.8
71.01361	8.0
71.04974	15.8
72.08134	4.5
79.05492	79.8
79.67397	3.0
81.03419	22.3
81.06592	6.1
81.07053	83.7
83.04970	14.3
83.08595	6.5
84.08138	3.5
85.02434	4.6
85.02907	57.1
85.06542	48.2
87.04466	3.0
89.03924	19.4
89.06010	11.3
91.05480	86.8
91.67486	3.1
93.03386	10.3
93.07049	87.3
95.04967	35.4
95.08598	51.2
97.02892	67.4
97.06527	24.3
97.10152	5.3
98.20755	6.8
99.04427	5.6
99.08081	21.1
103.05457	15.1
105.03354	4.0
105.04500	4.1
105.07037	56.6
107.04956	94.4
107.08588	88.5
109.02861	11.1
109.06493	28.2
109.10166	17.1
111.04431	30.1
111.08084	19.0
113.02354	6.0
113.09626	3.6
115.05446	13.4
116.06221	12.8
117.03387	29.5
117.06986	17.4
119.04972	8.1
119.08559	20.8
121.02851	9.9
121.06527	25.0
121.10139	52.8
123.04444	32.9
123.08071	18.8
123.11688	7.0
125.02345	7.4
125.06014	20.2
125.09608	18.6
127.03833	3.4
129.06981	7.2
131.08563	44.4
133.06505	8.1
133.10091	8.8
134.03647	5.2
134.07248	5.9
135.04407	49.5
135.08054	63.1
135.11687	36.1
136.05179	4.0
137.05971	12.5
137.09607	33.3
137.13257	8.2
138.03128	6.3
138.06659	5.0
139.07526	8.6
139.11150	3.0
141.05367	4.1
141.06995	3.5
144.05730	4.8
144.09328	4.7
145.02855	44.8
147.08014	5.9
148.97327	4.8
149.02362	7.2
149.05998	30.1
149.09607	36.8
149.13235	9.0
151.07541	41.0
153.05467	100.0
153.09076	7.3
154.06070	5.2
157.73900	3.1
159.08022	14.1
159.11655	13.1
161.06027	3.8
162.06761	8.2
163.03877	19.2
163.07480	19.4
164.76064	2.8
165.06964	5.1
165.09143	7.5
167.03340	5.4
167.07045	34.1
171.02902	5.4
171.99007	4.0
177.01930	3.6
177.05487	65.1
177.06912	5.9
177.09094	59.8
177.12738	20.2
177.16408	26.5
180.07820	5.6
180.09282	3.6
195.02902	46.9
195.06506	50.8
195.08199	6.9
195.10147	74.5
195.11636	6.1
195.13800	16.4
195.17490	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	194.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70263	0.2
55.01870	0.8
55.05508	2.6
56.05037	2.9
56.96563	7.5
57.03437	1.6
57.07074	0.6
60.04523	100.0
61.02929	0.4
65.03938	0.4
67.05505	4.6
68.05033	0.3
69.03421	1.2
69.07066	4.7
70.06231	0.4
70.06588	2.7
70.22021	0.6
70.22427	0.3
71.01376	0.3
71.04993	6.5
71.95269	1.2
72.04512	0.9
72.08147	1.0
72.96036	0.6
73.02928	0.6
74.06079	1.8
77.48862	0.2
79.05489	2.7
80.05015	1.7
81.03413	1.7
81.07058	5.6
82.06587	0.9
83.04984	0.6
83.08620	0.8
84.04500	0.9
84.08140	5.3
84.33047	0.2
84.96040	0.4
85.02901	1.1
85.06540	5.6
86.06069	0.4
86.09708	2.2
87.04462	0.7
88.07639	0.5
90.05548	0.9
91.05489	1.1
93.07040	3.4
94.06567	1.1
95.04973	2.2
95.08601	5.2
96.07561	0.3
96.08135	1.0
97.02888	0.7
97.06534	5.3
98.06078	0.5
98.09653	0.3
98.97589	1.9
99.04456	0.3
99.07426	0.3
99.08086	6.0
105.07026	1.2
108.05513	0.2
109.02872	0.2
110.09678	1.7
110.97586	0.9
111.08062	3.5
112.07546	0.4
112.11240	0.3
114.09168	0.6
115.02459	0.2
115.07583	0.4
116.07082	0.4
116.98638	0.5
119.01883	0.4
122.09661	2.7
123.08070	3.6
124.95493	0.2
128.10707	6.5
128.98610	0.6
129.09198	0.3
129.10219	0.8
130.08670	0.6
131.00180	0.3
134.99663	0.6
140.10706	4.3
141.09108	2.8
142.12282	0.5
142.96484	0.5
143.00191	0.5
145.01689	0.3
146.99599	0.3
147.11301	0.4
148.07512	0.5
158.11758	7.1
158.13048	0.5
158.99670	0.4
159.10146	0.6
160.97644	0.3
161.01237	0.3
161.02902	0.3
170.99686	0.5
171.01384	0.9
171.02631	0.3
172.02786	0.3
175.11879	0.6
176.05736	0.3
176.12817	7.3
188.97067	1.2
189.00665	0.8
189.02249	0.5
189.03859	0.9
194.06670	0.3
194.13876	18.6
206.98161	1.2
207.05418	0.9
212.05186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56196	0.3
53.03966	0.5
55.01869	1.3
55.05510	2.2
56.05041	3.0
56.96563	5.0
57.03435	1.4
57.07072	0.7
60.04525	100.0
60.08184	0.3
61.02936	0.4
63.09428	0.3
67.05508	4.3
68.05028	0.5
69.03429	1.2
69.07066	4.8
69.76707	2.4
70.06595	1.0
70.11140	0.4
71.01360	0.6
71.04992	6.4
72.04520	1.7
73.02916	0.6
74.06091	1.5
79.05492	2.9
80.05012	2.0
81.03413	1.6
81.07052	6.3
82.06582	0.6
83.04986	0.4
83.08626	0.6
84.08141	0.7
85.02909	0.5
85.06538	4.8
86.06068	0.7
87.04459	0.5
88.07621	0.8
90.05534	0.9
91.05492	1.1
93.07049	4.4
94.06565	1.3
95.04970	1.6
95.08612	5.5
96.08119	1.0
97.02914	0.6
97.06525	5.5
98.97559	0.7
99.08087	6.2
105.07027	1.2
105.92979	0.4
110.09686	1.3
110.97591	0.5
111.08066	3.6
112.11245	0.5
114.09225	0.5
116.98655	0.4
119.01824	0.6
122.09673	2.3
123.08057	3.4
128.02318	0.6
128.10715	6.2
140.10722	4.2
141.09077	2.9
158.11765	7.3
158.99651	0.5
162.03572	1.3
170.99678	0.4
171.04172	0.8
176.12801	7.6
188.97113	0.5
189.00684	1.5
194.13884	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	194.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56196	0.3
53.03966	0.5
55.01869	1.3
55.05510	2.2
56.05041	3.0
56.96563	5.0
57.03435	1.4
57.07072	0.7
60.04525	100.0
60.08184	0.3
61.02936	0.4
63.09428	0.3
67.05508	4.3
68.05028	0.5
69.03429	1.2
69.07066	4.8
69.76707	2.4
70.06595	1.0
70.11140	0.4
71.01360	0.6
71.04992	6.4
72.04520	1.7
73.02916	0.6
74.06091	1.5
79.05492	2.9
80.05012	2.0
81.03413	1.6
81.07052	6.3
82.06582	0.6
83.04986	0.4
83.08626	0.6
84.08141	0.7
85.02909	0.5
85.06538	4.8
86.06068	0.7
87.04459	0.5
88.07621	0.8
90.05534	0.9
91.05492	1.1
93.07049	4.4
94.06565	1.3
95.04970	1.6
95.08612	5.5
96.08119	1.0
97.02914	0.6
97.06525	5.5
98.97559	0.7
99.08087	6.2
105.07027	1.2
105.92979	0.4
110.09686	1.3
110.97591	0.5
111.08066	3.6
112.11245	0.5
114.09225	0.5
116.98655	0.4
119.01824	0.6
122.09673	2.3
123.08057	3.4
128.02318	0.6
128.10715	6.2
140.10722	4.2
141.09077	2.9
158.11765	7.3
158.99651	0.5
162.03572	1.3
170.99678	0.4
171.04172	0.8
176.12801	7.6
188.97113	0.5
189.00684	1.5
194.13884	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	194.1176
Annotation	CHEBI:77433
Peak:m/z	Relative Intensity
50.01606	0.2
53.03949	2.5
55.01868	0.3
55.05504	1.1
57.07064	0.2
60.04519	0.5
65.03943	0.4
67.05502	0.3
69.76254	0.4
69.76662	0.9
70.06596	0.4
72.08156	15.0
73.06540	0.3
73.08520	0.3
77.03922	0.8
79.05492	0.9
81.03433	0.4
81.07065	0.5
82.72987	0.2
84.15103	0.3
86.48852	0.2
89.03895	0.3
91.05479	0.7
93.07059	0.4
95.04969	3.9
96.38996	0.2
98.97577	0.4
105.03391	100.0
105.07023	0.8
106.03708	1.1
106.07347	0.6
107.04950	0.5
107.06813	0.3
107.08586	0.4
117.03378	0.7
122.06018	1.4
122.62745	0.2
125.05948	0.2
132.63538	0.2
133.02849	0.3
134.03221	0.5
134.06010	1.1
134.06912	0.4
135.08080	0.3
135.11650	0.4
137.09619	0.3
143.23692	0.2
145.02852	1.0
149.05945	0.6
151.03719	0.3
153.05470	1.9
162.06366	0.4
163.03929	0.4
166.64061	0.2
173.44344	0.2
176.03397	0.5
176.07072	0.5
176.10674	5.1
176.12114	0.4
177.05450	1.6
177.65671	0.2
179.02954	0.9
181.12923	0.2
194.05367	2.1
194.08051	0.3
194.11760	4.7
194.15446	1.0
195.06502	1.0
195.10173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24202	0.5
53.03937	0.9
53.81201	0.5
53.94096	0.6
55.01863	0.9
57.03441	3.2
61.13547	0.5
65.03934	0.9
66.04716	0.8
67.05495	2.3
67.16225	0.5
69.80359	1.5
69.80767	1.7
78.04665	0.6
79.05481	4.3
80.06261	0.9
81.03423	0.7
81.07053	1.0
84.28564	0.6
85.02900	0.9
91.04903	1.2
91.05483	24.5
93.03383	0.8
93.07045	2.5
94.11905	0.6
95.04977	2.1
102.04691	2.3
103.04803	0.9
103.05473	13.0
104.06252	1.1
105.03394	1.5
105.07031	16.3
106.07315	0.7
107.04965	2.2
108.05737	2.3
109.06544	0.7
115.05470	3.2
116.06248	7.9
117.07048	0.9
118.04173	0.7
119.04944	35.2
121.06493	2.5
123.04426	3.3
123.08067	5.1
130.04135	2.3
131.04932	27.9
131.05663	0.5
131.05959	0.7
132.05724	3.8
133.02861	5.3
133.06497	17.8
134.07309	7.6
136.05197	2.4
137.05933	1.6
138.06400	0.6
144.05688	1.7
145.06490	1.1
147.03242	1.0
147.04414	19.5
149.05980	1.9
151.03496	0.8
151.07544	32.1
161.05992	6.6
162.06743	4.3
163.07553	16.1
165.05475	3.4
167.03418	0.8
167.07034	1.7
176.07056	0.6
177.05574	0.7
177.09143	4.6
179.02940	3.3
179.07039	45.6
180.07368	1.3
193.08633	1.3
194.05536	6.2
194.09396	100.0
194.15312	3.6
195.09785	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	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02374	1.2
53.03929	3.2
55.01870	4.3
55.05513	9.5
57.03431	9.3
57.07057	2.5
59.04967	1.4
65.03922	3.1
67.05502	17.7
69.03433	4.1
69.07066	13.8
71.04996	8.2
71.53552	1.6
72.08141	1.3
77.03899	1.3
79.05493	21.1
81.03416	30.8
81.06590	1.6
81.07053	23.8
83.04975	5.2
83.08622	6.1
85.06538	4.7
89.03925	1.4
91.04893	1.5
91.05475	23.3
93.07041	26.2
94.04179	1.1
95.04964	21.9
95.08601	32.5
97.06512	4.4
97.10123	1.4
99.08096	4.5
103.05457	11.8
104.06268	1.6
105.03396	7.8
105.04520	2.1
105.07027	100.0
106.06600	0.9
106.07356	2.1
107.04958	5.9
107.08590	32.9
109.06522	11.2
109.10148	22.5
111.04408	1.0
111.08064	3.6
113.09627	1.0
115.04690	0.6
115.05441	16.7
115.06191	1.6
117.07023	2.1
118.04137	9.1
119.04943	1.1
119.08575	49.7
120.08811	1.0
121.06480	2.8
121.10134	12.1
122.03635	2.8
123.04425	1.8
123.08057	10.3
123.11715	8.6
125.05982	1.0
125.09596	1.3
127.07507	1.0
128.37317	0.8
129.06976	3.3
130.97491	0.8
131.04900	3.5
131.08536	3.5
132.05678	1.9
133.02859	23.9
133.06487	66.1
133.10121	72.1
134.06831	2.4
134.10452	1.2
135.04530	0.9
135.08035	3.4
135.11685	56.2
137.05984	7.2
137.09605	15.0
142.07759	1.9
143.04977	1.5
143.06001	4.6
145.10135	2.0
147.04379	3.4
147.08047	3.9
147.11681	13.1
149.02310	2.6
149.05984	1.9
149.09612	4.1
149.13246	3.3
150.03108	5.1
151.03911	2.7
151.07500	1.8
151.11176	3.9
151.14746	1.1
152.07033	1.2
157.10120	2.7
161.02379	5.5
161.05974	63.6
162.06357	1.9
165.05504	3.9
165.09125	1.4
165.12726	2.3
166.04689	1.2
167.03406	1.8
175.03873	1.1
175.07576	1.8
175.11214	7.4
175.14818	51.4
176.10616	1.9
176.15236	2.1
178.02605	15.7
178.04323	1.5
178.06206	0.9
193.04955	49.9
193.08614	22.3
193.10201	0.9
193.10498	0.8
193.12207	12.9
193.15866	42.1
194.05316	2.0
194.16299	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12636	0.3
53.03942	1.4
65.72625	0.3
67.05071	0.3
71.05907	0.5
72.08157	20.3
77.03928	0.8
79.05491	0.7
82.47073	0.3
91.05457	0.3
95.04977	2.6
105.03391	100.0
105.85738	0.3
106.03727	1.3
122.06043	2.4
134.06004	5.8
141.17212	0.3
176.10709	43.6
177.10991	0.4
179.87471	0.3
191.76662	0.3
193.04884	0.5
193.13373	8.8
201.13545	0.3
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	Pseudoionone
Peak:m/z	Relative Intensity
53.03939	2.5
55.01863	4.5
55.05511	21.6
57.03435	10.3
57.07059	4.9
59.04999	1.4
65.03923	2.4
66.49236	1.0
67.05505	20.2
69.03434	8.8
69.07068	19.6
69.29967	11.3
69.43462	1.1
71.05000	5.6
72.04501	1.8
77.03916	1.1
79.05495	19.3
81.03432	7.3
81.06595	1.7
81.07057	27.1
83.04985	13.2
83.08621	12.2
85.06541	5.4
90.04726	1.2
91.05473	20.6
93.07045	23.3
95.04961	10.8
95.08604	37.3
97.06522	6.4
97.10148	2.2
99.08094	6.7
103.05468	12.5
104.06261	2.2
105.03368	4.6
105.07034	100.0
106.07322	1.8
107.04975	4.2
107.08594	36.7
109.06522	19.6
109.10158	52.0
110.10463	1.7
111.08102	6.5
115.05449	17.3
117.07021	1.4
118.04170	8.8
118.25289	1.1
119.08578	37.3
121.02878	1.6
121.06522	2.0
121.10146	23.7
122.03649	2.0
123.04461	2.1
123.08061	31.6
123.11698	12.2
125.09614	1.9
128.75862	1.2
129.07010	1.3
131.04890	3.1
131.08536	3.3
132.05736	2.4
133.02872	13.9
133.06491	64.3
133.10123	47.3
135.08084	2.3
135.11694	55.1
136.11998	1.7
137.05954	5.3
137.09621	28.5
137.13266	1.3
138.10391	2.4
139.11176	1.3
139.92906	1.1
143.04958	2.2
143.06010	4.7
145.10144	1.6
147.04395	1.6
147.08029	3.6
147.11703	13.0
149.02271	2.4
149.06058	1.7
149.09634	2.2
149.13260	8.2
150.03127	3.1
151.03922	2.1
151.07584	1.5
151.11208	9.4
151.14790	5.8
153.00266	1.7
157.10139	2.1
159.11652	1.4
161.02380	2.1
161.05983	65.2
162.00871	1.4
162.06316	2.3
164.04625	1.1
165.05470	2.3
165.09123	1.2
165.12787	2.2
165.16397	2.5
167.03421	1.7
175.11266	5.7
175.14819	44.6
178.02571	12.5
178.07823	1.4
192.38536	1.0
193.04959	34.5
193.08623	23.2
193.10176	1.8
193.12187	15.2
193.15878	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1226
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03928	4.5
54.59039	1.0
55.01877	7.2
55.05516	8.0
56.96553	1.4
57.03160	1.6
57.03439	29.6
57.07067	2.3
58.07433	1.0
59.05007	2.8
63.03840	1.2
65.03926	2.5
67.05505	14.7
69.03418	3.2
69.07063	5.5
70.04513	2.6
70.04911	2.1
71.04990	1.5
79.05494	25.2
81.02985	1.7
81.03425	18.3
81.03875	2.2
81.07062	13.6
83.04996	5.5
83.08609	3.4
85.02869	1.3
85.06530	3.1
89.03926	1.8
91.05482	37.2
93.07043	27.5
95.04971	20.1
95.08606	10.8
97.02898	1.3
97.06528	3.9
99.08099	1.6
103.05456	14.4
105.03385	10.1
105.04493	1.9
105.07035	100.0
106.03696	1.2
106.07368	1.5
107.04931	6.0
107.08598	10.5
109.06524	9.2
109.10156	10.6
111.04460	1.1
111.08065	2.2
112.35091	1.1
115.05457	14.6
117.07030	5.2
118.04162	9.9
119.04932	4.1
119.08584	50.3
120.05282	3.3
120.08885	1.3
121.06502	19.7
121.10120	3.7
122.03638	3.9
123.04426	3.9
123.08041	5.5
123.11682	2.9
129.07004	5.3
131.04941	4.0
131.08566	5.7
132.05699	1.6
133.02855	18.2
133.06499	71.2
133.10130	32.5
134.06982	1.3
135.08098	7.5
135.11699	5.3
137.05980	9.9
137.09618	15.9
142.07758	3.8
143.06059	3.3
145.10170	2.2
146.07330	1.3
146.97423	5.2
147.04420	2.5
147.08075	10.6
147.11700	23.7
148.07498	1.3
149.02307	2.4
149.05962	3.6
149.09619	4.0
149.13234	1.5
150.03128	3.1
150.06747	1.8
151.03929	2.6
151.07561	3.6
151.11172	2.9
157.10170	6.2
160.08797	4.0
161.05988	65.6
165.05469	3.3
165.09126	2.9
165.12672	2.2
169.99036	2.9
175.03906	3.6
175.07507	1.4
175.11198	25.2
175.12692	0.9
175.14781	6.1
176.10699	3.8
178.02620	21.0
178.04376	2.2
178.06175	1.5
178.07794	1.4
180.37973	1.2
193.04979	60.7
193.06670	3.0
193.08595	28.9
193.10292	4.4
193.12209	21.2
193.14082	2.0
193.15793	9.5
193.17572	1.6
193.97209	1.1
194.05270	1.3
194.08113	2.8
194.15398	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
52.06385	0.3
52.24963	0.3
53.03944	1.3
55.01876	1.3
55.05512	4.2
56.12748	0.3
57.03436	0.6
65.03956	0.6
67.05502	7.4
69.03450	0.5
69.07056	1.6
69.35338	3.0
70.06594	0.3
71.05000	2.1
72.08152	3.4
75.14727	0.3
77.03928	0.5
79.05493	9.6
79.59456	0.3
80.05825	0.5
81.03423	1.1
81.07061	4.5
83.04984	1.5
83.08610	0.5
85.06548	1.8
91.05481	34.3
92.05808	0.6
93.07048	9.1
95.04971	3.4
95.08613	3.7
96.14698	0.3
97.06524	0.4
98.21503	0.6
99.04490	0.6
99.08111	2.5
103.05474	1.3
104.02675	0.3
105.03393	23.3
105.07032	33.1
105.64432	0.3
106.06554	1.3
106.07263	0.4
107.04943	0.5
107.06892	2.4
107.08577	1.5
109.06506	1.7
109.10158	4.6
111.04433	0.4
111.08086	0.5
115.05472	2.4
118.04121	0.8
118.07793	0.4
119.04933	0.5
119.08578	12.3
121.06503	1.0
121.10141	1.1
122.03645	0.6
123.08070	0.7
123.11700	0.5
127.07545	0.4
129.07018	4.3
131.04955	0.4
131.08568	17.2
132.02057	0.6
132.08867	0.4
133.02852	3.2
133.06508	7.9
133.10129	100.0
134.06033	0.4
134.07040	0.4
134.10431	1.9
135.08061	0.6
135.11664	1.6
137.05956	1.1
137.09612	5.1
142.07774	1.5
143.06041	0.6
145.10117	0.4
147.04346	0.9
147.06342	1.0
147.08008	2.4
147.11688	16.9
149.06018	0.8
149.09631	0.6
149.13266	0.5
150.03104	1.0
151.07507	0.7
151.11160	0.6
157.10126	8.5
161.02341	0.9
161.05988	6.5
161.23694	0.4
165.05499	0.6
175.11188	19.3
175.14764	1.6
176.10596	1.7
178.02600	3.0
178.04535	1.6
193.04953	7.2
193.06865	1.7
193.08476	2.5
193.12234	16.2
193.15875	5.8
194.11722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02380	0.6
53.03951	3.3
55.01874	6.0
55.05510	4.2
57.03429	1.8
57.07074	1.0
59.05004	0.8
59.22126	0.4
59.89593	0.5
62.04836	0.4
65.03934	1.3
66.04716	1.3
67.05504	9.7
69.03413	2.4
69.07055	2.3
70.06587	1.2
70.56326	1.3
71.04993	1.5
72.08157	4.4
72.08519	0.8
77.03929	1.3
79.05017	0.8
79.05489	18.4
81.03417	23.3
81.07054	8.2
83.01331	3.0
83.04980	2.2
83.08607	2.8
85.02883	0.6
85.06544	2.1
89.03924	0.8
90.04676	0.9
91.05480	16.2
92.05813	0.5
93.07047	6.1
94.04214	0.7
95.04968	14.0
95.08606	5.4
97.06519	1.3
97.10171	0.5
99.04523	0.6
99.08092	2.8
103.05466	16.6
104.06277	1.2
105.03393	24.3
105.04540	1.3
105.07029	100.0
106.03778	0.7
106.06647	0.5
106.07358	2.2
107.04977	3.1
107.08605	6.4
109.06541	4.1
109.10155	5.9
111.04447	1.0
111.08077	1.5
115.05450	21.2
115.35272	0.4
116.05714	0.7
117.07018	1.5
118.04164	11.2
119.04992	2.6
119.08587	12.4
121.02855	0.7
121.06487	1.5
121.10144	3.1
122.03652	1.3
123.04442	3.2
123.08073	2.8
123.11684	1.2
125.06023	0.7
127.07533	0.8
129.06979	3.4
131.04909	3.6
131.08557	3.4
132.05687	1.4
133.02867	13.8
133.06491	82.1
133.10120	14.0
134.06779	2.3
135.08054	1.6
135.11684	5.0
137.05971	4.0
137.09631	3.6
142.07784	1.2
143.04909	1.5
143.06041	5.8
147.04416	2.2
147.08034	2.5
147.11682	5.7
149.02348	2.0
149.05998	1.8
149.09602	1.9
149.13258	0.7
150.03131	4.4
151.03902	2.9
151.07549	1.2
151.11171	1.2
156.75604	0.6
157.10095	2.4
161.02399	4.3
161.05978	84.7
162.06378	1.9
165.01646	0.6
165.05502	2.6
165.09077	1.5
165.12730	0.8
175.03845	1.1
175.07542	0.9
175.11157	5.0
175.14838	5.0
176.10645	3.0
178.02611	10.2
178.04370	0.8
178.06209	0.9
193.04967	24.9
193.06868	1.3
193.08600	19.8
193.10519	0.9
193.12196	7.3
193.15887	7.6
194.05434	0.8
194.11697	0.6
194.15399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.02382	0.4
53.03947	0.7
55.01883	1.1
55.05507	0.6
55.40095	0.2
57.03428	0.3
57.07055	0.3
64.26614	0.2
65.03935	0.3
66.04727	0.4
67.05497	0.9
67.23524	0.2
69.03425	0.6
69.07053	0.4
69.89175	0.7
69.89587	0.5
70.06582	0.6
71.05002	0.3
72.08156	0.9
77.03931	0.9
79.05058	0.4
79.05492	3.4
79.56143	0.2
81.03420	0.8
81.07069	1.5
83.04983	0.5
83.08656	0.4
89.03905	1.3
90.04686	0.3
91.05483	3.8
93.07065	1.4
94.04206	1.2
95.00582	0.2
95.04967	2.2
95.08609	1.3
97.06522	0.5
103.05453	3.1
105.03393	8.0
105.07032	22.1
107.04935	0.7
107.08600	1.4
108.05587	0.3
109.02887	0.3
109.06505	1.5
109.10172	1.0
111.08048	0.2
115.05450	4.1
117.03364	0.6
117.07045	0.4
118.04165	2.5
119.04955	1.0
119.08571	2.6
121.02872	0.6
121.06510	0.6
121.10159	0.6
122.03646	6.4
122.05966	0.2
123.04475	0.3
123.08035	0.7
123.11770	0.3
131.04927	0.9
131.08571	0.5
132.05693	0.3
133.02852	43.1
133.06485	17.5
133.10135	3.5
134.03111	0.4
134.03355	0.5
134.07053	0.3
135.04480	0.3
135.08057	0.6
135.11673	0.6
137.05978	11.5
137.09592	0.5
138.66570	0.2
142.07816	0.3
143.04933	0.6
143.06052	1.3
146.06018	0.5
147.04391	1.1
147.08038	0.4
147.11684	2.6
149.05998	2.5
149.09663	0.4
150.03133	5.2
151.03868	1.2
151.07553	0.3
151.11162	0.7
157.10046	0.4
161.02348	3.2
161.05980	19.7
162.06447	0.2
165.05473	5.4
165.07037	0.3
165.07494	0.4
165.09082	0.3
175.03954	0.4
175.07616	0.4
175.11159	1.2
175.14798	0.8
175.60652	0.2
176.06999	0.3
176.10678	2.3
178.02617	26.8
178.04446	2.0
179.02939	0.6
193.04968	100.0
193.06639	3.9
193.08411	5.4
193.11972	1.9
193.15846	1.3
194.05371	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	193.0496
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.02389	0.4
53.03941	1.5
54.41399	0.3
55.01871	1.7
55.05515	3.7
55.35439	0.3
57.03438	1.2
57.07074	0.9
59.04991	0.5
65.03946	1.0
65.31284	0.3
66.04703	0.4
67.05508	7.8
69.03429	1.1
69.07072	2.3
69.45907	0.5
69.46314	2.1
70.06583	0.4
71.04999	1.9
72.08152	1.0
77.03931	0.9
79.05492	7.6
79.05916	0.6
81.03419	20.1
81.07058	7.2
83.04958	2.0
83.08621	3.8
85.06541	1.4
89.03918	1.3
91.05478	8.0
93.07047	5.5
94.04198	1.1
95.04967	9.1
95.08041	0.6
95.08607	5.1
97.02904	0.7
97.06537	1.0
99.08098	3.5
103.05471	1.6
104.06286	0.3
105.03399	3.6
105.07024	15.2
107.04956	3.2
107.08594	6.3
109.06500	2.6
109.10156	7.7
109.13110	0.3
111.04427	0.6
111.08083	1.1
113.67966	0.3
115.05468	2.7
116.06251	0.4
117.07010	0.5
118.04159	1.0
119.04946	0.7
119.08581	8.7
121.06517	0.9
121.10139	2.7
122.03642	4.7
123.04428	5.1
123.08078	2.6
123.11713	1.4
129.07027	1.9
131.04915	0.4
131.08601	1.9
132.05716	0.5
133.02852	45.4
133.06491	10.6
133.10121	7.5
134.03197	0.5
135.04414	11.1
135.05440	0.6
135.10722	0.4
135.11699	6.1
137.05983	12.1
137.09624	4.0
138.10410	0.3
142.07796	0.6
142.63219	0.3
143.05995	0.4
147.04454	1.9
147.08051	1.1
147.11691	2.8
149.02347	0.6
149.05984	3.5
149.09631	1.2
149.13229	1.2
150.03114	4.5
151.03911	0.6
151.11169	1.0
151.14815	0.4
157.10143	1.5
161.02357	1.9
161.05983	8.2
161.07280	0.6
165.05472	4.0
165.09126	0.4
165.12727	0.5
171.23386	0.3
175.04053	0.3
175.07587	0.8
175.11217	2.6
175.14847	5.6
176.10722	0.4
178.02612	26.8
179.03024	0.6
193.04964	100.0
193.08557	6.5
193.12177	4.4
193.15903	10.6
194.05286	1.9
209.77631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0495
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
51.02390	0.2
53.03946	0.2
55.01886	0.2
57.03425	0.2
66.04727	0.4
66.13460	0.2
66.72804	0.2
67.05518	0.3
69.03400	0.2
70.55356	0.7
74.40026	0.2
77.03927	0.3
79.05470	1.0
81.07045	0.3
89.03908	0.7
91.05456	1.1
93.07046	0.4
94.04169	0.9
95.04975	0.6
95.08645	0.2
103.05450	0.3
105.03387	2.3
105.07024	3.8
107.04921	0.2
107.08577	0.5
109.06511	0.4
115.05445	0.7
117.03386	0.6
118.04141	0.3
119.04945	0.4
119.08562	0.7
122.03650	4.1
131.08534	0.2
133.02846	36.1
133.06496	2.7
133.10132	1.0
134.03224	0.7
137.05969	9.1
143.05997	0.2
147.11684	0.5
149.05966	3.0
150.03117	3.3
151.11217	0.2
161.02345	1.1
161.05959	2.6
165.05464	4.4
175.11142	0.3
175.14816	0.3
176.10669	0.4
178.02603	22.2
179.02921	0.4
181.24875	0.2
193.04956	100.0
194.05276	2.4
195.79123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
53.00341	0.4
53.03947	1.3
55.01873	1.6
55.05515	5.4
57.03449	1.3
57.07074	1.0
59.05005	0.7
63.62988	0.5
65.03948	1.1
66.04733	1.4
67.05505	6.7
69.03438	2.2
69.07069	3.9
70.06599	0.5
71.04999	1.8
71.53061	1.0
72.08152	0.5
76.03178	0.5
77.03922	0.9
79.05495	5.7
81.03408	3.3
81.07055	10.0
81.83956	0.4
83.04975	2.0
83.08624	3.1
85.06541	2.2
89.03939	0.8
89.79249	0.5
91.05482	8.0
93.07049	6.8
94.04188	1.9
95.04973	3.7
95.08608	9.7
97.06546	1.2
97.10170	0.8
99.08102	4.0
103.05479	2.2
104.06215	0.5
105.03390	3.0
105.07034	18.0
107.04935	1.1
107.08593	9.0
109.06510	3.4
109.10152	14.8
111.08075	1.4
115.05463	2.2
117.06995	0.6
118.04158	0.8
119.04951	1.0
119.08583	15.6
121.02876	0.6
121.06490	0.7
121.10152	5.7
122.03671	3.5
123.04457	0.6
123.08089	5.7
123.11732	3.1
125.09618	0.8
131.04961	0.7
131.08582	0.9
132.02089	0.7
133.02852	20.7
133.06497	9.9
133.10130	12.4
135.08038	0.6
135.11690	10.8
137.05977	3.7
137.09601	5.6
143.05954	0.7
145.03946	0.6
147.04399	1.7
147.08066	1.0
147.11688	3.3
149.02350	1.6
149.05986	2.0
149.13257	2.3
150.03128	18.5
151.03896	1.0
151.07553	0.6
151.11195	1.9
151.14833	1.1
157.10146	0.8
161.02359	3.8
161.06006	10.8
165.05482	2.5
165.09119	0.6
165.12807	0.5
165.16331	0.6
175.03926	0.8
175.11206	1.3
175.14838	11.6
176.10841	0.5
178.02614	77.8
179.02963	1.0
193.04964	100.0
193.08545	4.3
193.12091	2.6
193.15871	21.7
194.05327	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	193.0495
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
50.53345	0.2
53.03934	0.6
55.01860	0.4
55.52031	0.2
57.03440	0.2
57.84189	0.2
60.68783	0.1
61.61275	0.2
65.03933	0.5
66.04705	0.3
66.17291	0.2
67.05480	0.4
68.99783	2.1
69.03416	0.3
69.80825	0.6
69.81233	0.4
71.01339	0.2
78.04691	0.4
79.05156	0.2
79.05501	2.0
81.03384	0.8
81.07057	1.4
84.04557	0.2
89.03900	0.8
91.05481	4.8
93.07037	0.4
94.04152	0.5
95.04964	1.3
95.08620	0.2
99.38683	0.2
103.05460	0.7
105.03377	0.4
105.04477	0.2
105.07017	0.6
106.04180	0.5
107.04955	5.8
107.08580	0.2
108.87459	0.1
109.06503	1.2
110.03663	0.2
117.03378	0.4
119.04933	1.2
119.08562	0.4
121.02837	0.2
121.06502	0.4
122.03652	0.5
123.04427	0.6
123.11575	0.2
125.05994	1.9
133.02881	0.9
133.06494	0.4
133.10083	0.3
134.03635	3.1
135.04437	0.3
135.05525	0.8
136.01544	0.5
137.05972	10.4
147.04405	0.2
147.11676	0.2
149.02391	0.3
149.05975	9.2
150.03117	10.5
161.05989	0.4
165.05470	1.5
178.02609	17.7
179.02957	0.3
182.02094	0.4
193.04958	100.0
194.05313	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
77.03909	0.5
81.03387	0.5
83.58115	0.4
89.03948	1.0
94.04181	1.5
98.20815	1.2
100.98436	0.4
101.83791	0.4
103.66660	0.4
105.03371	1.7
116.18095	0.4
117.03383	0.6
122.03656	5.0
123.08125	0.5
127.29815	0.5
133.02853	43.5
135.23166	0.5
137.05975	11.3
149.06015	2.5
150.03125	4.6
160.67989	0.4
165.05464	2.9
169.40297	0.5
178.02618	24.0
179.02986	0.6
193.04968	100.0
194.05440	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	193.0495
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
50.30475	0.2
51.02382	0.4
53.03958	0.3
54.93201	0.2
55.01875	0.5
55.05516	0.7
57.03417	0.4
61.50146	0.2
65.03934	0.3
65.44924	0.2
67.05499	1.3
69.03436	0.3
69.07073	0.5
69.19316	0.2
69.50060	0.2
70.58826	0.6
70.59190	0.3
73.03332	0.2
77.03922	0.5
79.05502	1.7
80.10666	0.2
81.03441	1.1
81.07059	1.8
83.04983	0.7
89.03930	0.9
91.05479	2.8
93.07028	1.7
94.04182	1.0
95.04962	1.6
95.08630	1.2
97.06482	0.2
103.05470	1.0
105.03398	3.1
105.07027	5.1
107.04955	0.8
107.08594	1.6
109.06523	0.9
109.10133	1.0
111.04442	0.2
111.08067	0.4
115.05458	0.6
117.03381	0.6
118.04169	0.4
119.04945	0.6
119.08575	1.7
121.02818	0.3
121.06545	0.3
121.10141	0.6
122.03657	4.9
123.04469	0.3
123.08064	0.7
123.11687	0.3
131.04935	0.4
131.08562	0.5
133.02855	39.2
133.06497	3.3
133.10120	2.4
134.03621	0.3
135.04451	0.3
135.08081	0.3
135.11699	2.3
137.05974	11.1
137.09599	0.5
139.03992	0.2
146.97423	0.8
147.04440	0.3
147.11688	1.2
149.02350	0.8
149.05965	3.2
149.09612	0.4
150.03113	4.4
151.03914	0.4
151.07536	0.3
151.11179	0.5
161.02328	0.6
161.05989	3.0
165.05481	4.1
167.03456	0.3
169.98979	0.4
175.03931	1.3
175.07602	0.3
175.11195	0.6
175.14842	1.3
176.10672	0.3
176.48613	0.2
178.02612	23.8
178.07800	0.4
179.03006	0.3
193.04965	100.0
193.11954	1.6
193.15883	1.9
193.17752	0.4
194.05327	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	192.0653
Annotation	Noroxyhydrastinine
Peak:m/z	Relative Intensity
53.03932	3.3
55.01867	2.1
61.95739	0.8
65.03927	3.6
67.05480	1.9
70.06607	4.2
70.91771	1.2
70.92107	1.7
72.00877	96.0
78.04699	1.3
79.05488	1.5
80.05828	1.9
81.07043	1.1
83.01347	1.1
90.01933	5.4
90.04166	1.0
90.04693	1.5
91.05480	37.8
93.07045	5.4
95.04964	5.6
97.02867	1.8
102.04671	2.7
103.05471	12.0
104.32320	0.8
105.03407	6.7
105.04446	1.1
105.07003	2.1
107.04937	3.3
108.05271	3.4
117.05753	1.5
118.06570	4.5
118.26633	0.8
119.04940	21.2
120.05725	3.9
121.02885	3.0
121.06496	23.1
123.04441	1.5
128.04941	1.8
129.03323	2.2
129.05734	1.2
130.04126	2.3
131.04935	4.6
131.05843	1.0
133.02858	2.1
133.06454	2.5
133.10149	1.0
134.03633	2.1
135.04396	1.2
136.04738	5.5
137.05962	2.6
146.06017	14.8
147.04411	100.0
147.05450	3.5
147.06708	6.0
148.05185	6.2
149.05988	2.7
149.08351	1.2
151.03931	1.4
152.04697	8.0
156.04491	1.3
157.05255	5.5
159.04436	2.8
160.05188	2.7
161.05945	2.6
164.04291	5.8
164.07042	2.3
165.05496	1.7
174.05510	22.0
175.03906	1.5
175.06296	13.5
177.04195	7.9
177.05499	1.5
177.07857	8.0
178.02666	1.1
179.46268	0.9
192.03880	13.5
192.06544	66.4
192.10091	16.4
192.13779	2.5
192.17465	5.5
193.05154	5.0
193.06650	1.6
193.49088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0653
Annotation	6-Methoxy-1-methylisatin
Peak:m/z	Relative Intensity
52.03162	1.1
66.04722	0.2
69.77760	0.6
69.78156	0.4
76.03175	0.3
79.04227	1.0
79.05486	0.9
91.05487	0.2
91.97342	0.2
93.05763	2.1
103.04201	2.1
105.07044	0.4
106.06554	6.1
108.04476	2.0
118.06487	0.2
121.05244	1.1
128.04958	0.3
131.03653	1.4
131.08569	0.2
132.04449	1.0
133.10080	0.5
146.06021	3.0
149.04773	0.2
177.04207	100.0
178.04556	1.6
192.06549	73.3
193.05017	0.4
193.06886	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0655
Annotation	6-Methoxy-1-methylisatin
Peak:m/z	Relative Intensity
50.01608	0.2
51.11460	0.2
52.03168	1.3
70.06602	0.5
70.45390	0.6
79.04214	1.1
84.98488	0.2
91.05457	0.5
93.05811	1.9
95.04951	0.3
103.04203	1.9
103.55152	0.3
103.67957	0.3
104.02628	0.3
105.03375	0.6
105.07025	0.3
106.06570	0.3
108.04471	1.9
108.88667	0.3
118.06541	0.3
121.05228	1.3
121.13591	0.2
122.06037	1.4
128.04951	0.3
128.69458	0.3
131.03732	1.5
131.04538	0.3
132.04399	0.6
132.95810	0.4
133.02818	0.5
146.06001	3.0
148.07579	0.7
150.05499	2.8
150.96899	0.6
174.05521	0.4
177.04208	100.0
178.04558	1.2
192.06552	97.5
193.04927	1.0
193.06900	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03947	3.2
55.05273	1.6
55.05511	19.0
55.69544	1.4
57.07063	4.8
57.72002	1.4
63.35408	1.3
67.05501	19.7
69.07068	42.1
69.47301	10.6
69.47722	2.6
76.18955	1.4
79.05486	17.5
81.07054	26.0
83.08619	19.5
85.10152	1.5
91.04989	1.4
91.05475	8.1
93.07043	55.8
95.04988	3.6
95.08606	90.7
97.10183	11.2
105.07039	10.4
107.08590	61.4
109.06528	2.1
109.10157	47.0
111.11729	2.5
119.08578	5.2
121.10140	90.1
122.10435	2.4
123.11691	10.6
131.08580	2.6
133.10170	2.7
135.08098	2.1
135.11687	68.0
145.10126	4.2
147.11699	5.0
149.13272	22.2
163.11165	1.6
163.14836	3.9
173.13249	3.0
177.07855	3.2
191.06862	2.5
191.10733	5.2
191.14317	9.2
191.17949	100.0
192.06564	3.0
192.10028	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.1
55.05515	3.8
58.32134	0.7
67.05513	4.5
69.03439	6.4
69.07077	3.6
69.33112	0.6
69.33379	7.2
69.98726	0.7
71.05000	1.9
76.19793	0.8
79.05501	10.5
81.07046	6.7
83.04983	4.3
83.08617	2.0
85.06552	0.9
91.05486	15.2
93.07046	10.3
94.48135	0.7
95.04977	7.8
95.08609	8.7
97.06553	1.9
103.05478	8.8
105.03372	1.0
105.07027	14.2
107.04962	4.5
107.08598	28.8
109.06513	6.5
109.10151	6.1
111.08076	0.9
115.05463	2.8
116.06233	1.0
117.07011	9.1
118.04144	2.7
119.06090	1.5
119.08580	5.7
121.06512	4.7
121.10143	10.5
123.08045	2.6
129.07007	1.5
130.04167	1.8
130.07739	0.9
131.04921	5.5
131.08566	11.6
132.04445	1.1
133.02882	1.5
133.06474	1.5
133.10136	12.7
135.04453	1.6
135.08058	100.0
135.11659	5.7
136.08406	2.2
138.11624	0.7
143.08623	1.2
145.10135	6.6
146.06006	0.8
146.85135	0.7
147.04385	1.3
147.08081	1.6
147.11723	4.1
148.05202	4.8
148.08829	0.9
149.09637	4.9
149.13257	5.1
157.53561	0.8
158.10893	4.0
160.07613	2.2
161.05901	0.8
161.09645	1.6
162.57776	0.7
163.03934	0.9
163.07542	7.1
163.11169	1.8
163.14807	0.9
169.87177	0.7
173.09628	1.7
173.13289	14.8
176.04733	2.1
177.04202	1.6
191.03418	1.6
191.07059	9.0
191.10612	5.3
191.14313	40.6
191.17928	5.2
192.06563	2.0
192.10310	1.4
192.14713	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
54.51966	0.7
55.01870	2.1
55.05490	3.9
57.07061	1.0
60.72867	0.7
62.75327	0.9
65.03934	1.2
67.05507	8.9
69.03424	11.4
69.07067	8.3
69.33248	5.0
69.33675	2.4
71.05001	8.9
79.05490	8.5
81.07051	7.3
83.04986	8.0
83.08616	2.0
85.06538	5.7
91.05479	15.3
93.07042	12.7
95.04964	7.1
95.08604	11.7
97.06525	7.5
99.08087	1.4
103.05482	5.5
105.03401	0.9
105.07024	20.1
107.04928	4.1
107.08589	32.1
109.06513	11.6
109.10155	19.4
111.08067	2.5
115.05435	2.4
117.07036	5.5
118.04143	2.4
119.04924	1.0
119.08581	11.1
121.02847	1.1
121.06495	5.5
121.10136	25.3
123.08066	7.0
123.11690	1.1
129.07002	2.5
130.04147	1.1
130.07780	1.2
131.04886	3.2
131.08563	22.8
133.06522	1.1
133.10124	22.3
135.04431	1.4
135.08049	37.3
135.11655	4.6
136.08682	0.9
143.08580	4.8
144.09325	1.9
145.10094	8.9
147.04384	1.0
147.08015	1.7
147.11665	13.7
148.05151	2.9
148.08775	1.2
149.09628	6.5
149.13274	11.0
156.01424	1.0
158.10904	8.1
161.09619	4.2
163.03937	1.8
163.07515	3.0
163.11186	1.3
163.14839	1.2
173.05966	1.4
173.09554	1.1
173.13257	29.8
176.04721	1.3
176.11958	1.9
191.03416	4.9
191.07062	4.6
191.10677	3.3
191.14304	100.0
192.06647	1.6
192.14725	1.8
201.39566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24308	0.6
53.03949	1.5
53.68306	0.5
55.01868	0.9
55.05515	4.2
57.03433	0.8
57.07080	1.2
67.05502	3.3
67.70509	0.5
69.03087	0.8
69.03432	12.6
69.07069	5.1
69.44556	4.2
71.04986	1.3
72.08138	0.7
75.11401	0.5
79.05498	5.4
81.03401	0.6
81.07048	5.5
83.04981	10.4
83.08604	2.2
85.06522	1.5
86.52921	0.5
91.05479	7.9
93.07045	7.4
95.04959	2.1
95.08622	5.9
97.06522	2.3
97.57252	0.5
98.20760	1.2
103.05466	1.8
105.07034	10.7
107.04942	2.5
107.08599	24.5
109.06509	2.5
109.10144	2.5
111.08099	0.6
115.05460	1.2
117.07008	2.5
118.04173	1.2
119.08583	7.2
121.06506	5.4
121.10148	12.6
123.08068	2.1
125.94247	0.7
129.07014	1.8
130.07800	0.5
131.04947	1.1
131.08568	13.0
133.06508	1.2
133.10135	18.5
135.04411	1.4
135.08058	13.2
135.11710	3.4
136.08826	0.7
137.09615	1.1
143.08575	3.8
144.09319	1.0
145.06514	1.1
145.10123	6.6
147.08060	1.2
147.11697	5.9
148.08824	1.1
149.09605	4.6
149.13260	5.4
158.10922	5.9
161.09581	4.4
163.03926	3.1
163.07555	1.4
163.11176	1.6
163.14830	1.6
173.11774	0.9
173.13274	16.0
176.12001	3.0
177.04350	0.7
180.38823	0.5
191.03421	1.4
191.07082	3.3
191.10818	3.1
191.14310	100.0
192.06532	1.0
192.14635	1.5
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	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03936	2.8
55.05502	6.1
57.07057	2.3
63.30389	1.4
65.03915	1.9
67.05499	18.3
69.03441	2.5
69.07074	11.3
69.71898	4.4
69.72308	4.6
70.17482	1.5
70.96465	1.7
71.04996	27.5
79.05497	17.1
81.07061	19.8
83.04976	3.9
83.08603	2.8
85.06545	16.3
91.05482	31.0
93.07040	24.7
95.04958	17.7
95.08601	23.6
97.05936	1.9
97.06543	27.2
99.08136	1.6
103.05472	8.2
105.07027	48.7
107.04966	2.5
107.08591	69.8
109.06521	21.1
109.10168	16.7
111.08096	10.6
115.05455	2.9
116.06223	3.4
117.07009	8.0
118.04178	2.6
119.08590	20.6
121.06461	2.7
121.10149	69.8
123.08059	21.0
129.06973	3.8
130.07808	1.8
131.04936	6.0
131.08563	49.8
133.06462	1.6
133.10135	46.9
134.10490	2.4
135.08070	33.7
135.11690	7.0
143.08534	7.5
144.09239	3.4
145.10124	18.5
147.08047	2.2
147.11685	37.7
148.05212	4.3
148.08884	1.7
149.09616	14.1
149.13252	24.2
158.10919	16.2
163.07562	5.3
163.11137	2.8
163.14862	3.0
173.09680	2.3
173.13275	66.8
176.04698	2.4
177.04214	1.8
191.03401	2.1
191.06992	7.1
191.10681	5.3
191.14311	100.0
191.18008	3.4
192.14603	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03933	1.2
55.05500	3.6
63.90362	0.8
64.82270	0.8
67.05492	3.5
69.03435	1.8
69.07061	2.2
69.42690	7.4
71.04980	2.6
79.05481	5.0
81.07069	6.6
83.04996	1.8
83.08620	1.3
85.06541	5.6
91.05484	15.4
93.07044	10.1
95.04977	1.6
95.08617	5.7
97.06537	4.6
103.05476	2.2
105.03399	2.1
105.07038	41.5
107.04940	1.4
107.08605	19.8
109.06503	3.0
109.10170	2.4
111.08096	1.6
113.09660	0.7
117.06997	2.2
119.08583	10.6
121.02928	1.1
121.06485	2.4
121.10170	7.1
123.08060	3.2
129.06993	2.4
130.07822	1.0
131.04889	1.6
131.08575	22.1
133.10135	100.0
135.08029	8.0
135.11714	1.6
143.08580	3.6
144.09300	1.7
145.10104	11.3
147.11713	6.9
149.09612	3.3
149.13266	9.3
158.10922	6.7
163.07553	1.1
163.11066	1.1
173.13268	27.3
191.06995	1.9
191.10634	1.6
191.14319	18.8
192.06483	0.9
205.14232	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01861	1.7
55.05525	5.5
57.07080	1.1
63.03345	0.8
67.05499	6.0
69.03147	0.8
69.03434	8.9
69.07066	7.2
69.51147	7.2
71.04981	3.7
71.65973	0.7
79.05498	7.8
81.07065	9.9
83.04990	6.9
83.08611	3.1
85.06541	1.5
91.05480	15.8
93.07047	10.5
95.04982	5.0
95.08591	8.8
97.06522	4.1
98.20797	1.6
102.04610	1.1
103.05469	5.0
105.07040	18.5
107.04942	3.4
107.08599	27.1
109.06514	8.4
109.10169	14.7
111.08061	1.1
115.05434	2.1
116.06251	1.2
117.07011	4.1
118.04145	2.5
119.08582	10.5
121.06514	7.3
121.10153	16.1
123.08047	5.2
129.06996	2.8
130.07774	2.0
131.04913	2.7
131.08568	20.9
133.02895	1.2
133.06517	1.3
133.10138	31.5
135.08052	22.5
135.11687	5.6
136.08751	0.8
137.09616	0.9
143.08566	3.5
144.09406	1.9
145.06470	1.9
145.10126	11.0
147.08061	1.8
147.11684	10.1
148.05188	2.0
148.08830	1.9
149.08542	1.2
149.09647	9.5
149.13258	8.5
150.10371	0.9
158.10907	7.3
161.06047	1.1
161.09665	2.0
163.07524	4.8
163.11180	3.2
163.14847	3.9
173.05960	2.1
173.09676	2.2
173.13271	26.2
176.12068	1.3
177.04211	2.9
191.03403	3.3
191.07034	8.5
191.10727	6.0
191.14316	100.0
192.06558	6.5
192.14705	2.5
199.60121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1179
Annotation	N-Methylserotonin
Peak:m/z	Relative Intensity
53.03909	0.4
54.17311	0.2
54.95137	0.3
55.01837	0.5
55.05479	0.4
56.96522	1.0
57.03401	0.3
58.06567	0.6
65.03898	0.3
67.05489	0.5
69.03401	0.6
69.07030	0.6
69.87115	0.8
69.87531	0.8
70.06573	0.6
71.04964	0.5
72.93748	1.2
79.05461	0.9
79.18880	0.2
81.03385	0.5
81.07018	0.6
83.08529	0.3
84.08107	0.5
86.72342	0.3
87.05152	0.3
90.94803	0.6
91.05467	1.5
93.06993	1.1
95.04925	0.8
95.08571	0.5
98.97588	0.5
100.84940	0.3
101.08826	0.3
103.05428	0.8
104.04990	0.3
105.03392	1.6
105.07036	1.5
105.33796	0.3
106.06561	0.6
107.04922	1.1
107.08561	0.9
109.06504	0.4
110.07154	0.4
110.97568	0.3
113.92297	0.3
115.05449	2.8
116.04947	0.3
117.05743	1.5
117.07005	0.8
118.05719	0.4
118.06551	5.6
119.08562	0.7
120.05713	0.4
120.08079	0.9
121.02845	0.9
121.06497	1.8
121.10118	1.1
130.06531	15.1
131.04893	0.8
131.06886	0.4
131.08522	0.8
131.97394	0.4
132.03462	0.5
132.04460	11.0
132.08092	21.6
132.95860	1.3
133.10121	0.7
134.06006	1.5
135.08061	0.7
135.11670	0.9
140.04973	0.5
142.05502	0.6
142.06531	6.9
144.08073	0.5
145.06438	0.9
145.10124	0.9
147.04343	0.3
147.08023	0.5
148.07599	2.6
149.06027	0.4
149.09584	0.7
149.96149	0.4
149.98500	0.4
150.96893	2.5
157.05211	0.4
158.08449	0.4
160.07581	100.0
161.01167	0.4
161.07932	1.9
162.05511	0.3
162.09113	0.7
163.03844	0.5
163.07530	0.7
163.11168	0.7
167.05556	0.6
167.97157	1.0
173.05980	0.5
173.09657	0.5
173.10799	3.7
173.13214	0.7
176.08328	0.6
177.04204	1.2
179.04631	0.5
191.03357	0.6
191.05620	0.4
191.07079	1.3
191.11833	24.5
191.14223	1.8
191.17964	0.5
191.97235	0.4
192.06593	1.5
192.12164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0499
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
51.04292	0.2
54.03181	0.2
70.71677	0.3
77.04028	0.2
89.03902	1.0
89.08716	0.2
93.81242	0.2
116.04973	3.4
134.06004	0.2
142.00595	0.2
144.04434	0.7
154.84494	0.2
162.05501	100.0
163.05873	2.2
184.32710	0.2
189.00685	0.2
190.04991	30.5
191.05417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
55.05264	1.6
55.05499	12.4
57.07060	4.5
57.42442	2.0
57.95040	2.0
58.56248	1.9
65.67092	1.9
67.05497	5.3
69.07072	19.4
71.54675	2.1
74.67667	1.9
77.53759	1.8
79.05485	8.9
79.65429	2.1
81.07047	13.5
83.08623	13.5
83.17036	2.1
91.05495	21.7
93.07068	10.8
95.08618	23.9
103.05441	3.3
105.07032	55.7
107.08593	15.0
109.10126	3.8
117.07014	4.9
119.07725	3.6
119.08579	73.0
121.10162	12.5
129.06990	3.0
131.08612	10.2
133.06503	2.5
133.10138	96.2
143.08553	2.3
145.10133	11.4
146.10748	3.1
147.11707	48.3
149.02344	4.3
156.09348	2.6
159.11745	4.4
160.12523	3.2
161.09541	3.0
161.13266	11.2
171.11691	5.2
174.14037	3.1
189.05467	7.3
189.09160	5.8
189.12714	11.7
189.16396	100.0
190.08571	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	189.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95650	0.3
53.03941	0.5
55.01882	0.4
55.05507	2.2
56.05027	1.5
56.96565	7.7
57.03433	1.0
60.05650	0.4
60.08165	25.7
61.02913	0.8
67.05502	2.9
69.03432	1.5
69.07066	0.6
70.06577	2.5
70.48302	0.6
70.48705	0.8
70.98121	0.5
71.04996	0.4
71.95266	0.6
72.08156	12.3
73.02917	1.5
73.06563	0.6
73.08482	0.4
74.02433	0.6
81.03427	0.6
84.08143	100.0
85.02906	2.4
85.06541	1.4
85.08481	1.3
86.09708	4.6
97.02348	0.5
97.02892	1.8
98.97583	22.5
100.07620	0.4
100.99146	0.9
101.00866	0.5
106.02872	0.6
106.96602	0.4
110.03115	0.4
110.97566	1.2
112.92025	0.3
112.99150	1.3
115.09514	0.5
116.07072	0.8
116.98622	16.8
118.08630	2.0
119.01888	1.2
124.99067	0.4
127.03963	0.6
128.02345	0.4
128.98613	1.5
130.08640	41.1
131.00148	2.2
131.01813	0.4
131.08978	0.6
133.03368	0.6
134.99657	7.1
140.00322	0.5
140.02330	0.6
143.00154	0.9
144.10202	0.5
144.13846	3.4
145.01721	1.1
146.99657	1.5
147.03255	0.8
149.01224	0.9
149.02878	1.5
153.00685	0.6
155.04631	0.7
158.01270	0.6
158.99681	1.8
161.01236	0.9
162.05504	0.4
163.02765	0.8
164.05180	0.6
165.00775	0.7
165.04375	1.2
169.04463	1.3
172.15288	0.5
175.02794	0.7
177.00752	2.1
177.04204	0.6
178.04933	3.1
185.03072	0.4
189.04251	0.5
189.05939	0.5
189.16000	15.8
189.17848	1.0
189.55728	0.5
190.14371	1.3
190.16324	0.6
191.02365	0.5
193.00137	0.5
193.03831	0.7
208.04904	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1385
Annotation	N,N-Dimethyltryptamine (DMT)
Peak:m/z	Relative Intensity
50.63395	0.2
51.71944	0.2
53.03952	0.2
53.05428	0.2
55.05489	0.2
55.99611	0.2
56.05042	0.4
57.03429	0.2
58.06599	100.0
59.06925	1.0
67.05494	0.2
68.99393	0.2
68.99784	0.4
70.06615	0.4
70.71619	0.6
72.08165	0.4
81.03410	0.2
81.07037	0.2
83.05001	0.2
84.08144	0.4
85.02905	1.6
85.99179	0.2
86.09713	0.8
87.00844	0.2
91.05479	1.4
92.62997	0.2
93.07024	0.4
93.61343	0.2
95.04980	0.4
105.07031	1.7
107.04973	0.4
107.08626	0.2
115.05464	0.6
117.07016	2.5
118.06544	0.7
119.04955	0.2
119.08575	1.8
128.06242	0.6
129.07018	0.3
130.08711	0.2
131.07352	0.2
131.08560	0.9
133.06516	0.4
133.10118	0.9
135.04405	0.5
141.06987	0.3
143.07295	1.5
143.08568	0.9
144.08080	57.7
145.06476	0.6
145.08424	1.4
145.10130	0.5
147.04417	0.7
147.06454	0.3
147.08046	1.3
147.11687	1.0
153.67711	0.2
155.06128	0.5
156.09370	1.3
159.08089	0.4
159.11716	0.3
160.08925	0.2
161.09610	0.7
161.13242	0.9
162.05531	0.2
171.07957	0.3
171.11687	1.7
174.06825	0.3
174.10376	0.6
189.05313	0.9
189.09128	2.5
189.12497	3.5
189.14005	1.2
189.15605	0.3
189.16371	0.4
190.08641	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
58.60193	1.1
60.76518	1.0
69.03444	5.3
69.03755	1.3
70.73889	2.4
70.74215	1.3
79.05522	1.0
91.05479	5.5
93.56120	1.1
105.07021	10.3
107.08563	2.3
117.07001	3.4
119.08572	18.1
128.06201	3.7
129.06998	3.3
130.07785	3.7
131.08537	5.6
133.06487	2.0
133.10138	5.7
141.06987	8.6
143.08580	7.3
144.09319	2.5
145.10126	18.8
146.10838	1.2
147.08022	5.6
147.11699	16.4
155.08528	3.6
156.09348	60.8
157.09673	1.4
159.08061	4.9
159.11700	16.9
161.09610	1.3
161.13268	2.4
171.11690	80.1
172.11981	1.9
174.10426	9.5
189.12740	100.0
190.13042	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93142	0.8
55.01859	2.9
55.05491	3.1
60.08178	0.7
63.00269	0.8
67.05490	3.0
68.99793	0.9
69.03420	5.4
69.07059	2.7
69.26932	8.7
73.13626	0.7
79.05490	4.0
81.07050	5.9
83.01331	1.5
83.04986	1.4
84.08127	1.0
85.02892	1.7
91.04973	1.4
91.05479	14.3
91.29250	0.7
93.07079	4.1
95.04968	2.7
95.08607	4.4
95.09114	0.8
95.86422	0.8
103.05431	2.1
105.03393	1.3
105.07029	22.2
105.81302	0.8
107.04952	1.6
107.08599	6.0
109.06519	1.3
109.10137	1.6
113.12759	0.9
115.03941	1.0
115.05454	3.1
116.06258	1.4
117.07011	8.3
119.04926	1.8
119.08582	29.5
121.06469	1.3
121.10157	1.9
128.06204	6.5
129.07011	6.5
130.07819	4.3
130.85709	0.7
131.08551	10.8
133.02869	6.6
133.06477	4.2
133.10132	13.7
135.04408	1.6
135.08022	1.5
141.06981	8.2
142.07765	1.4
143.08553	9.4
144.09282	1.9
145.06467	2.3
145.10115	20.5
146.07240	1.3
146.10831	1.0
147.04424	13.9
147.08044	14.5
147.11681	19.8
149.02248	1.0
155.08571	2.4
156.09343	49.3
157.09705	1.7
159.08072	7.5
159.11687	11.7
160.08786	2.5
161.05984	2.7
161.09633	6.7
161.13249	6.0
171.08078	1.7
171.11688	63.1
172.12016	2.0
174.06720	3.7
174.10376	11.0
189.05479	11.7
189.09117	28.6
189.12743	100.0
189.16307	8.7
190.09560	1.1
190.13095	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37660	0.7
55.01854	1.3
58.06586	3.5
67.05493	1.2
69.03430	5.7
70.97806	2.5
79.05492	1.4
91.05469	6.3
93.07032	1.9
95.04935	0.9
97.02013	0.8
103.05420	0.9
105.07041	14.5
107.04952	1.6
107.08577	2.2
109.06436	1.0
115.05499	1.8
117.07021	4.0
119.08575	19.3
121.10172	1.0
124.53870	0.9
128.06195	3.6
129.06998	3.7
130.07777	4.2
131.07654	1.0
131.08553	7.3
133.06480	2.9
133.10120	7.6
135.04433	4.7
141.07007	9.7
143.08549	8.9
144.08154	1.9
144.09326	3.3
145.06470	1.0
145.10115	19.0
146.07185	1.2
146.10747	1.0
147.04398	6.1
147.08037	10.9
147.11694	15.3
155.08566	3.8
156.09348	62.3
157.09717	1.3
159.08066	5.9
159.11696	15.7
160.08823	2.1
161.09624	3.9
161.13235	3.2
171.11690	75.7
172.12018	3.4
174.10429	8.6
189.05467	3.3
189.09151	13.9
189.12744	100.0
190.13115	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	189.1235
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
53.03936	0.3
55.01860	0.6
55.05505	0.8
56.05033	0.4
56.96570	7.3
57.03432	1.0
58.06588	0.4
60.04530	0.6
60.05662	0.3
60.08173	2.4
61.02925	0.7
63.79162	0.2
67.05491	0.5
69.03429	2.2
69.07077	1.9
69.89038	1.2
70.06599	2.7
70.98143	0.4
71.04988	0.6
72.08159	3.3
73.02914	1.3
73.06555	0.7
74.77163	0.2
74.97650	0.4
79.05503	0.4
81.03416	1.0
81.07036	0.4
83.04980	0.3
84.04501	0.5
84.08147	10.7
84.93642	0.2
84.96053	0.6
85.02911	2.8
85.04844	0.2
85.06538	0.4
86.09709	100.0
87.04481	0.5
87.10033	1.1
89.03935	0.2
90.01537	0.3
91.05486	0.3
95.04964	0.3
97.02897	2.6
98.97588	6.1
99.04474	0.6
99.08124	0.3
105.02051	0.4
105.07060	0.5
107.01883	0.2
107.04951	0.9
109.02893	0.7
109.07633	0.3
110.01296	0.3
110.97585	0.8
112.99161	0.5
116.05034	0.4
116.98627	3.6
117.03894	0.3
119.01857	1.3
119.08582	0.4
121.06521	0.2
124.04639	0.3
126.04438	0.3
127.00675	0.4
127.03947	0.4
128.02339	0.8
128.98610	0.9
130.08644	4.2
131.00163	0.7
132.04449	0.3
133.06567	0.3
134.99638	1.3
137.02936	0.3
139.53081	0.3
142.98813	0.3
143.00172	0.6
143.03859	0.6
143.11821	0.3
144.13806	1.6
145.01776	0.8
146.04086	0.3
146.99683	0.6
147.03157	1.6
147.07976	0.3
149.01210	0.4
153.00696	0.3
154.03929	0.4
155.04709	1.1
155.54967	0.4
156.03618	0.7
158.35536	0.2
158.99678	0.8
159.03223	0.3
159.04884	0.3
161.01270	0.8
161.04875	1.5
161.07162	0.3
161.09770	0.3
162.05511	10.2
163.02803	0.9
163.04340	0.4
164.05211	0.6
165.00754	0.2
165.04413	1.0
168.03500	0.2
168.03867	0.3
168.05438	3.6
168.06749	0.3
168.55602	0.3
171.11783	0.3
172.15224	0.3
173.01210	0.3
173.04936	0.7
175.04216	0.2
176.05215	0.2
177.00739	0.9
177.04204	1.4
177.06001	2.6
177.56186	0.7
178.04803	0.3
179.05841	0.4
179.56261	0.4
181.03891	0.2
189.00717	0.4
189.06602	1.0
189.09015	0.3
189.12447	1.5
189.16054	1.6
189.17813	0.4
190.05006	3.8
190.14479	0.5
191.02373	0.7
191.05948	0.6
203.06042	0.3
205.35535	0.2
207.01802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.03713	0.3
53.03947	4.0
55.01861	0.5
65.03938	1.4
67.05508	4.3
69.37360	0.5
69.37768	2.0
77.03922	0.7
79.05493	5.7
81.03407	0.6
81.07077	0.3
85.34837	0.2
91.05472	1.5
93.07050	0.3
95.04973	6.7
95.08578	0.4
96.84534	0.2
98.20793	0.4
103.05438	0.5
105.03391	100.0
105.04537	2.5
105.07021	3.3
106.03728	1.5
107.08602	0.3
115.05447	1.4
117.07026	0.8
119.08568	1.6
121.10102	0.2
123.03571	0.5
123.04430	6.3
123.05330	0.3
128.06238	0.5
129.07040	0.3
131.04906	0.5
131.08556	0.3
133.02795	0.4
133.05566	0.3
133.06479	2.4
133.10095	1.4
143.08534	0.5
145.06470	0.6
145.10135	0.9
147.04375	0.3
147.08084	0.6
147.11703	1.0
149.02357	0.4
156.09349	1.0
161.05991	0.7
161.09624	0.5
161.13269	0.4
171.11693	1.4
174.06799	0.3
189.01822	0.5
189.05518	5.1
189.09068	2.1
189.12686	2.6
189.16388	0.8
190.05627	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.16930	0.3
53.03932	1.1
55.01872	6.8
55.05502	1.0
57.03427	0.8
65.03939	0.6
65.68739	0.3
67.05500	1.1
68.99796	0.5
69.03423	1.1
69.07043	0.4
69.37625	1.9
69.38050	1.5
69.93426	0.3
77.03907	0.6
79.05497	4.2
81.03434	0.7
81.07058	1.7
84.08170	0.4
91.05479	22.7
92.05829	0.5
93.07045	1.4
95.04981	2.1
95.08612	2.0
98.20732	0.8
103.05491	1.9
105.03390	7.2
105.07030	15.3
107.04939	1.6
107.08582	1.4
109.02882	0.8
115.05448	3.6
117.06995	2.5
119.04945	7.9
119.07787	0.7
119.08578	7.4
121.06496	1.2
128.06219	5.6
129.06990	1.5
130.07809	0.6
131.04927	1.6
131.08583	1.6
132.05690	0.8
133.02876	0.8
133.05481	0.6
133.06487	8.9
133.10123	7.9
133.70151	0.3
135.04411	10.5
137.06001	0.6
141.07048	0.8
143.04944	1.8
143.08563	5.1
145.06494	1.7
145.10132	1.4
146.07271	2.4
147.04408	100.0
147.08040	16.9
147.11674	2.9
148.04730	2.2
149.02362	1.1
153.07033	0.5
155.06027	0.6
156.09341	2.5
159.04428	0.5
159.08066	0.9
159.11679	0.6
160.05258	0.5
161.02351	0.5
161.05984	6.9
161.09607	13.5
161.13231	0.8
171.04382	0.9
171.08054	6.6
171.11702	2.9
174.06747	2.7
174.07944	0.3
174.10368	0.9
183.21559	0.4
187.07567	0.7
189.01894	1.5
189.05475	58.1
189.09096	41.4
189.12657	5.7
189.16345	4.2
190.05807	1.4
190.09618	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0908
Annotation	Fomannoxin
Peak:m/z	Relative Intensity
51.02365	0.5
53.03948	3.2
55.01870	2.2
65.03929	1.6
67.05510	3.7
69.03440	0.3
70.14052	0.7
70.14463	0.7
70.21402	0.3
71.61310	0.3
77.03919	2.0
79.05493	5.8
81.03414	0.6
81.07044	0.8
91.05478	5.8
95.04971	6.6
103.05483	1.7
105.03390	100.0
105.04539	2.4
105.07024	9.1
106.03722	1.4
107.04947	0.8
107.08586	0.6
115.05455	3.5
117.07006	1.7
118.07874	0.3
119.04968	2.0
119.08581	2.2
121.02894	0.4
121.06522	0.4
123.04425	6.5
128.06238	1.4
129.06987	0.4
130.35133	0.3
131.04910	2.4
131.08571	0.5
133.02844	3.3
133.05553	0.4
133.06487	7.0
133.10141	1.9
135.04427	2.7
137.53185	1.0
138.03397	0.4
143.04866	0.7
143.08543	2.3
145.02919	0.4
145.06483	1.1
145.10138	1.1
146.07278	0.6
146.53700	0.5
147.04407	21.6
147.08044	4.8
147.09105	0.5
147.11707	1.2
148.04710	0.5
149.02357	0.7
149.04010	0.6
156.09367	1.0
160.05090	0.3
161.02344	4.7
161.04675	0.4
161.05986	5.3
161.09576	3.0
161.13133	0.3
165.56316	1.1
171.08032	1.9
171.11691	1.1
174.06799	1.0
174.56886	0.4
177.07336	0.3
189.01871	6.2
189.05487	27.0
189.09074	11.8
189.12636	2.3
189.16347	1.4
190.05882	0.5
190.09662	0.3
207.02936	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0545
Annotation	Plumbagin
Peak:m/z	Relative Intensity
53.00296	3.2
53.03946	1.9
55.01865	3.9
63.02356	1.6
65.03928	8.5
67.01864	2.2
68.99792	27.5
69.03424	3.2
69.85282	7.5
79.05495	12.6
84.07069	1.9
89.03915	83.7
91.05482	16.4
93.07030	3.6
95.01319	7.0
95.04972	2.4
95.08630	1.7
98.95829	1.7
103.05460	11.4
105.07028	71.2
106.07362	1.6
107.08572	2.1
111.04443	2.4
115.05456	36.2
117.03388	25.7
117.07013	17.8
119.04973	2.4
119.08570	5.5
120.76955	1.9
121.02858	7.5
121.06477	12.6
121.10184	1.7
129.60417	1.6
131.04855	1.6
133.06493	77.5
133.10120	4.7
137.54594	1.7
145.02841	15.9
145.06496	12.1
147.04384	2.9
147.11673	4.4
149.02299	1.7
156.09322	2.8
161.05980	44.3
170.45122	1.6
171.04326	1.6
171.11757	2.9
173.03508	3.0
179.09789	1.5
179.72498	1.5
189.05469	100.0
189.09096	4.1
189.12799	4.9
189.16391	6.1
190.05736	2.9
197.79356	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	189.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01877	8.9
55.05509	0.6
57.03429	1.3
58.94648	0.3
64.61237	0.3
65.03946	1.1
65.13996	0.3
67.05514	0.8
69.03434	0.7
69.07072	0.5
70.18368	0.8
70.18783	0.5
77.03932	0.3
79.05504	3.2
81.03410	0.7
81.07049	1.1
91.05485	21.1
92.05801	0.3
93.07037	1.2
95.04963	1.1
95.08607	0.4
103.05463	1.3
105.03395	5.7
105.07041	10.1
107.04958	2.1
107.08585	0.8
109.02905	0.7
115.05433	2.9
117.07027	2.1
119.04952	8.3
119.08585	4.5
121.02940	0.3
121.06511	0.9
123.04452	0.7
128.06227	5.8
129.07004	0.9
131.04922	1.3
131.08586	1.0
132.05699	0.7
133.02834	0.6
133.05510	0.5
133.06490	6.4
133.10139	4.6
135.04419	10.2
137.06050	0.3
137.12775	0.3
143.04950	1.5
143.08566	5.0
145.06473	1.6
145.10130	0.7
146.07310	2.7
147.04414	100.0
147.08051	16.5
147.11703	0.7
148.04695	2.1
155.06081	0.4
156.09369	0.8
161.02312	0.3
161.05986	6.9
161.09624	11.9
161.11676	0.5
171.04477	1.0
171.08061	7.3
171.11732	1.3
174.06757	3.6
187.07622	0.6
189.05484	54.9
189.09102	41.5
189.12636	3.0
189.16377	1.0
190.05893	1.5
190.09471	1.2
207.06468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0546
Annotation	Ramentaceone
Peak:m/z	Relative Intensity
53.03939	0.9
55.01873	9.0
55.05504	0.5
57.03427	0.9
59.88266	0.4
65.03940	1.1
67.05500	0.8
69.03413	0.5
71.52800	0.4
77.03941	0.4
79.05491	3.6
79.61512	0.4
81.03413	0.9
81.07060	0.9
91.05480	19.2
93.07015	1.1
94.16482	0.4
95.04970	1.3
95.08604	1.0
100.12003	0.4
103.05451	1.4
103.62677	0.4
105.02729	0.6
105.03399	8.4
105.07033	12.1
107.04942	1.5
107.08565	0.9
109.02888	0.6
115.05453	3.0
117.07014	2.6
119.04935	7.6
119.08582	5.1
121.06467	0.6
123.04419	0.8
128.06216	5.7
129.06993	0.6
131.04932	1.9
131.08565	1.5
132.05685	0.9
133.02856	0.7
133.06483	7.9
133.07458	0.5
133.10130	4.7
135.04408	9.3
137.05949	0.6
143.04909	1.7
143.08543	4.8
145.06491	1.6
145.10143	1.2
146.07288	2.6
147.04407	100.0
147.08040	16.3
147.11687	1.2
148.04729	2.2
149.02324	0.7
154.08650	0.5
155.06120	0.4
156.09384	1.0
159.08029	0.5
161.02306	0.5
161.05971	6.8
161.09619	10.7
168.49005	0.4
170.59673	0.4
171.04436	1.1
171.08054	5.8
171.11693	1.0
173.05978	0.5
174.06766	3.6
189.01950	1.1
189.05476	54.6
189.09094	41.2
189.12613	3.1
189.16293	1.9
190.05859	1.8
190.09541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1759
Annotation	N8-Acetylspermidine
Peak:m/z	Relative Intensity
50.42736	1.0
53.03950	1.8
54.53302	0.7
55.01865	3.1
55.05513	6.2
56.05029	4.7
56.96566	68.6
57.03438	8.0
58.06318	2.0
58.06601	40.2
58.96167	1.0
59.04998	1.0
59.70995	0.8
60.04268	1.1
60.04532	13.4
60.05645	3.4
60.08168	13.7
60.95848	1.2
61.02929	6.5
63.27050	0.8
67.05490	3.2
68.05019	0.9
69.03432	14.2
69.07076	4.9
69.72298	2.8
69.72714	2.5
70.02930	1.3
70.06596	21.2
70.98106	2.5
71.04977	3.7
71.06922	1.2
71.95261	3.4
72.04153	1.5
72.04518	18.2
72.08155	52.7
72.96039	0.9
73.02921	8.1
73.06536	1.6
73.08472	2.0
74.02437	1.0
74.06073	2.1
74.97591	3.0
75.09243	1.4
75.71608	0.8
79.05474	2.1
81.03411	4.7
81.07050	1.6
82.06557	2.8
83.04961	2.8
83.97633	2.5
84.04052	1.3
84.04508	17.1
84.08144	100.0
84.96021	4.2
85.02904	16.8
85.06572	1.8
85.08472	2.1
86.03193	1.2
86.06080	1.7
86.09707	14.4
86.97571	0.9
87.04452	3.0
88.03965	1.8
91.02315	0.8
95.02638	1.0
95.04983	1.3
96.01537	1.6
96.04506	4.3
96.08122	2.1
97.02294	1.3
97.02894	15.9
97.06535	1.7
97.96803	1.6
97.99167	2.8
98.01239	1.0
98.03187	1.0
98.06063	1.3
98.09691	1.2
98.97587	75.0
99.04470	4.0
99.97919	1.4
100.06988	1.4
100.07619	20.4
101.00814	1.4
101.02364	0.9
101.06045	1.2
104.90812	3.7
107.01839	1.0
107.04935	0.9
109.02853	2.8
110.01279	2.9
110.02423	2.0
110.06021	2.9
110.09705	1.1
110.97579	3.6
111.02920	0.8
111.04441	1.8
111.08034	0.8
112.07594	1.8
112.08715	1.0
112.11243	30.9
112.99096	2.9
113.10774	1.2
114.05531	5.0
114.09171	80.8
115.00692	1.1
115.03918	1.3
116.00206	2.8
116.03671	1.1
116.07077	4.5
116.98621	50.4
117.10204	2.6
117.98938	1.0
119.00221	1.0
119.01820	8.4
120.01999	1.2
121.01650	1.9
124.02792	0.9
124.07604	0.9
124.11227	2.1
124.52596	3.2
124.99108	0.9
125.03645	1.1
126.05502	1.0
127.00665	1.4
127.03903	3.6
128.00211	2.5
128.02321	5.3
128.07083	3.7
128.10686	1.7
128.98590	5.5
129.10231	3.5
129.13885	1.0
130.08646	24.9
130.09647	0.8
130.12331	0.8
131.00208	4.4
131.11807	8.4
131.99690	1.1
133.01730	1.1
133.53081	2.6
134.01199	1.6
134.99654	27.4
136.52519	0.8
137.02870	2.5
137.53496	0.9
140.00180	1.7
141.10255	1.2
142.08646	3.1
142.12259	2.8
143.00157	3.8
143.01839	1.0
143.08931	0.9
143.11787	4.9
143.53352	1.0
144.13840	1.0
145.01727	2.0
145.03476	1.2
145.05002	1.6
146.01236	3.5
146.08109	1.5
146.91824	9.2
146.99678	5.6
147.03259	4.4
147.11282	2.6
149.01241	2.9
150.00676	1.1
153.00670	2.6
154.03824	1.1
155.04620	3.3
158.01210	2.5
158.04916	2.4
158.09259	1.0
158.53864	0.9
158.99689	6.8
159.03210	1.5
160.06435	2.8
161.01231	3.8
161.04813	3.0
162.99190	1.4
163.02788	2.1
164.02243	4.1
164.05151	1.5
164.92906	3.5
165.00714	4.8
165.04364	3.8
167.04568	1.4
168.03619	2.2
168.05479	5.3
170.04932	1.3
170.06352	4.1
170.08070	2.0
170.11736	1.9
170.16508	1.2
170.99721	1.4
171.03360	1.1
171.14928	85.4
172.15343	1.1
173.01236	2.5
174.99155	1.0
175.11963	4.1
176.05132	2.0
177.00720	8.6
177.04204	2.8
177.05986	2.6
178.07530	1.8
182.03348	1.1
183.01801	1.2
183.14874	1.2
187.02771	1.2
187.54184	1.1
188.02284	3.3
188.03830	1.5
188.05792	1.8
188.09209	3.7
188.12950	4.3
188.17586	81.7
189.00688	3.1
189.04317	3.8
189.05910	1.1
189.15953	7.6
191.02289	3.6
195.01793	1.0
196.54701	1.6
201.00786	1.3
206.03439	2.5
206.07036	2.6
207.01724	2.4
207.05438	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	188.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31263	0.2
71.32060	0.5
73.93475	0.2
78.04079	0.3
91.05479	4.3
106.07888	0.2
115.05457	6.2
116.06237	0.4
117.05771	1.9
117.07019	4.6
118.06545	70.9
119.06873	1.7
128.04980	0.5
132.08156	0.6
142.06525	6.2
143.07312	12.1
144.04451	1.1
144.08089	26.9
145.06500	0.8
146.06012	100.0
147.06363	2.6
155.06062	1.0
160.07561	1.1
168.96458	0.2
170.06015	8.5
188.07071	19.2
189.07399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
51.02381	0.5
59.96370	0.4
70.68195	0.7
70.68573	0.7
70.98127	0.4
75.59514	0.4
91.05473	8.8
115.04690	0.7
115.05455	9.9
116.06236	0.5
117.05764	2.5
117.07018	6.3
118.06538	96.5
119.06909	0.9
128.04938	0.7
130.18913	0.4
132.08072	0.9
141.17923	0.4
142.06532	7.7
143.07297	18.0
144.04405	0.7
144.08084	26.9
145.06490	1.5
146.06006	100.0
147.06357	1.0
155.06056	1.4
160.07573	1.2
165.76561	0.4
170.04637	0.8
170.06010	10.5
188.07059	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	187.0388
Annotation	Psoralen
Peak:m/z	Relative Intensity
63.19848	0.8
69.03418	1.7
71.54430	1.0
71.54890	1.4
81.03379	1.8
86.17405	0.7
88.02218	1.0
101.30803	0.9
115.05445	5.2
115.85360	0.8
131.04922	52.8
131.08537	1.2
136.91597	0.7
143.04913	5.0
145.10115	1.8
159.04398	10.5
186.22159	0.9
187.03897	100.0
187.14877	2.1
188.04207	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	187.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.05505	2.0
56.05009	0.8
56.96562	5.1
58.06590	1.0
63.82325	0.6
67.05487	1.9
68.99767	2.4
69.03409	2.5
69.07056	0.9
69.44156	4.7
70.06586	1.9
71.04988	1.2
71.21574	0.7
72.08151	1.5
79.05482	2.1
81.03408	5.6
81.07046	2.1
84.04514	1.5
84.08133	2.6
85.02904	1.2
85.06541	0.7
86.09692	1.5
91.05485	15.8
92.05816	0.9
93.07030	2.2
95.04957	1.1
95.08604	1.8
97.52853	3.0
98.02993	0.8
101.07082	0.7
103.05473	10.4
105.07037	5.9
106.53354	2.1
107.04966	1.4
108.03329	0.9
109.02905	1.2
109.10121	0.9
110.53607	0.9
112.08770	0.7
115.05454	5.8
116.06231	1.1
117.07017	12.1
118.06554	9.3
119.08573	1.6
120.08108	24.5
120.53078	0.9
124.34104	0.7
127.03935	0.8
128.04936	0.9
128.06200	3.0
128.62167	0.6
129.07013	7.7
129.53622	1.9
130.06506	1.3
130.07759	2.2
131.04924	6.9
131.08565	18.1
132.53082	1.1
133.06529	3.6
133.07401	0.7
140.52805	1.4
141.06990	10.1
141.53596	1.6
143.08562	2.3
144.05721	5.7
144.08057	3.1
144.09325	4.0
145.06497	15.4
145.10144	7.5
146.05980	5.3
146.07175	1.2
151.07675	0.7
153.06969	3.7
154.07777	19.0
154.52547	2.1
155.06071	1.2
157.06479	6.8
157.10121	1.0
158.07277	24.9
159.04427	1.5
159.08067	31.2
159.11691	9.5
163.53128	1.0
167.08594	0.8
169.07617	3.0
169.08751	1.4
169.10120	27.4
171.08038	3.6
172.08815	23.5
172.09908	1.2
172.12503	1.3
187.03967	5.8
187.07626	5.4
187.11166	100.0
187.14661	5.4
188.07050	2.7
188.11513	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	187.0389
Annotation	Psoralen
Peak:m/z	Relative Intensity
53.03942	0.4
53.23726	0.2
59.21828	0.2
64.87022	0.2
69.03425	0.9
70.14767	1.1
72.28542	0.2
81.03410	1.8
85.02913	0.6
85.64584	0.2
88.02238	0.3
91.05487	0.4
93.07026	0.3
95.04961	0.5
95.56230	0.2
103.05453	1.3
109.02870	0.4
115.05447	7.3
117.07002	0.4
122.99154	0.2
128.06200	0.4
129.07130	0.2
131.04926	68.4
131.08577	0.7
132.05240	1.0
137.74007	0.2
143.04926	6.9
143.05997	0.5
145.10127	0.9
159.04416	11.4
159.08061	0.3
159.11630	0.4
173.81702	0.2
186.22185	0.2
187.03902	100.0
187.14775	1.0
187.96367	0.3
188.04231	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0388
Annotation	Psoralen
Peak:m/z	Relative Intensity
50.42907	0.2
51.02179	0.2
51.02391	0.7
53.03948	5.8
55.01881	0.4
55.05499	0.3
57.07071	0.2
65.45618	0.2
67.05495	0.3
68.99815	0.2
69.03429	3.0
71.04994	0.3
71.53474	0.3
77.03918	1.5
79.05508	0.5
81.03417	4.4
81.07050	0.5
83.08633	0.4
84.04498	0.3
85.02900	1.0
88.02196	1.3
91.05495	1.5
93.07033	0.4
95.04971	8.9
97.02898	0.4
99.04465	0.5
102.04668	2.1
103.05469	10.4
104.45011	0.2
105.03412	2.1
105.04510	2.5
105.07042	0.8
109.02892	1.3
110.48202	0.2
115.05431	1.6
116.06252	0.3
117.07018	0.9
118.04186	0.3
118.06514	0.3
119.08582	0.7
126.05527	0.3
127.03918	0.6
129.07011	0.5
130.07788	0.3
131.04930	100.0
131.08566	2.0
132.05264	2.2
133.02837	0.8
141.06995	0.3
143.04941	0.9
143.08583	0.7
144.05759	0.3
144.09390	0.3
145.06528	0.3
145.10123	4.4
157.10133	0.5
159.04419	36.7
159.11722	1.3
160.04752	0.8
169.10117	0.3
172.12477	0.6
186.22202	0.3
187.03908	48.1
187.07266	1.5
187.11154	2.1
187.14819	3.9
188.04234	1.3
204.50308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0389
Annotation	Psoralen
Peak:m/z	Relative Intensity
51.02385	0.4
53.03946	0.8
54.18368	0.2
55.76924	0.2
58.80039	0.2
63.02402	0.2
69.03433	0.3
69.44381	1.4
75.96313	0.2
77.03928	0.4
81.03419	0.8
85.02920	0.3
88.02221	0.3
91.05488	1.5
95.04942	1.4
102.04674	0.3
102.22620	0.2
103.03214	0.2
103.05471	3.1
105.04501	0.3
106.57691	0.2
115.05448	8.0
116.06239	0.4
117.07027	0.3
126.67303	0.2
127.03983	0.3
128.06197	1.4
129.16600	0.2
131.04924	85.1
131.08574	0.9
132.05301	1.2
132.06189	0.2
141.07027	0.6
143.03804	0.3
143.04919	6.3
143.05984	0.4
145.10065	0.5
159.04413	24.5
159.11671	0.3
160.04759	0.4
177.05504	0.5
187.03902	100.0
187.07468	12.8
187.14725	0.4
188.04205	2.3
200.07082	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.2
53.03951	0.3
55.68427	0.1
63.02390	0.2
63.19133	0.1
70.25723	0.2
70.26083	0.3
77.03947	0.3
81.03397	0.2
89.03944	0.1
91.05480	0.5
95.04977	0.4
102.04689	0.2
103.05476	1.6
107.19949	0.1
115.05452	8.2
128.06247	0.3
131.04924	71.2
132.05251	1.5
135.23923	0.1
141.07002	0.2
143.04921	7.0
144.05635	0.1
145.10060	0.1
159.04414	13.8
160.04720	0.2
187.03900	100.0
188.04245	2.5
208.61577	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	187.0388
Annotation	Psoralen
Peak:m/z	Relative Intensity
51.02385	0.3
53.03948	0.3
71.51347	0.3
71.57185	0.2
73.19257	0.2
77.03916	0.3
79.48097	0.2
89.03895	0.2
91.05457	0.3
95.04953	0.3
96.30206	0.2
103.05484	0.9
115.05462	7.8
125.57032	0.2
128.06227	0.3
131.04935	67.6
132.05290	1.3
143.04935	5.9
146.38962	0.2
159.04425	9.9
160.04875	0.2
187.03914	100.0
188.04295	1.6
195.47862	0.2
198.34857	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0387
Annotation	Psoralen
Peak:m/z	Relative Intensity
53.03944	0.3
57.93784	0.3
67.05490	0.3
69.03423	0.5
70.58395	0.6
77.03924	0.3
81.03408	0.7
86.73991	0.2
88.02209	0.3
89.18712	0.2
91.05476	0.4
95.04991	0.5
95.40758	0.2
103.05473	1.9
105.07052	0.3
109.02837	0.3
115.05454	7.7
117.07030	0.4
128.06248	0.5
129.06938	0.3
131.04927	70.5
131.08588	0.8
132.05241	1.2
141.06998	0.4
143.04927	6.7
144.05672	0.7
145.10101	0.8
159.04417	11.5
159.08047	0.8
159.11642	0.6
160.04723	0.4
166.78407	0.2
169.06442	0.2
186.03163	0.2
187.03905	100.0
187.11099	1.1
187.14792	0.7
188.04262	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	186.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43458	0.1
52.52220	0.1
53.03945	0.2
55.01869	0.2
55.05507	0.3
56.05030	0.2
57.07070	0.2
59.06105	0.2
61.76416	0.1
67.05514	0.3
68.05029	0.4
69.03430	0.6
69.07082	0.4
70.06593	100.0
70.88048	0.1
70.88419	0.4
71.04975	0.3
71.06287	0.2
71.06927	1.2
72.08163	0.7
73.10661	0.1
74.02448	0.2
79.05507	0.2
81.03428	0.6
81.07065	0.5
82.06586	0.3
83.04981	0.2
84.04518	0.6
84.08140	0.6
85.02898	1.1
86.09717	0.4
88.02176	0.2
89.03909	0.4
91.05473	0.2
94.03006	0.2
95.04968	0.2
95.08635	0.2
96.04492	0.2
97.02914	0.2
97.06551	0.2
97.07624	0.2
98.06078	0.2
99.04456	0.2
100.03918	0.2
109.02915	0.2
112.07619	0.2
114.05537	1.1
117.03384	0.5
119.59800	0.1
120.36101	0.2
126.05527	0.9
126.06593	0.3
126.09225	0.3
127.03924	0.3
127.08640	0.2
130.06529	0.3
131.04958	0.5
131.08588	0.3
132.18353	0.2
139.01872	0.4
140.07100	0.2
140.14400	0.2
141.07034	0.2
144.06660	0.3
144.07751	0.3
145.02843	0.8
145.10176	0.3
155.03381	0.2
158.06039	0.3
158.10574	0.2
159.08109	0.3
159.11609	0.2
163.01823	0.7
168.13850	2.8
169.09897	0.2
172.08965	0.2
181.02879	1.1
186.05602	0.5
186.07626	0.8
186.09239	1.7
186.11267	0.3
186.14894	1.6
186.18614	0.3
187.04016	0.3
187.07555	0.3
187.11150	0.4
198.77057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0809
Annotation	UNII-Z02B4Y02FV
Peak:m/z	Relative Intensity
50.94852	0.5
51.02399	0.5
51.20444	0.5
53.03949	0.5
55.01868	1.2
55.05516	3.9
57.03438	1.5
57.07074	0.8
59.05016	0.8
59.06138	0.5
60.04514	0.7
65.03944	2.1
67.05492	4.0
67.38631	0.5
68.99790	2.1
69.03433	1.8
69.07066	4.7
69.32928	1.2
69.33340	3.7
70.06584	2.0
71.04998	2.7
72.08158	1.7
75.04485	1.7
79.01847	2.0
79.05497	2.5
81.03424	1.0
81.07052	3.9
82.04211	2.1
82.06561	0.9
83.04986	2.7
83.08619	1.2
84.04501	0.9
84.08151	0.6
85.01128	3.3
85.02914	2.2
85.06540	2.2
86.09706	13.2
90.33303	0.6
91.05481	1.9
93.03426	0.9
93.07050	4.2
95.01327	8.6
95.04960	3.0
95.08589	3.0
97.02889	1.0
97.06551	2.5
98.06072	0.5
98.21515	1.0
99.04464	2.0
99.08087	0.8
101.06008	1.1
102.41693	0.4
105.07041	1.9
107.01318	0.7
107.08591	3.5
109.02882	1.1
109.06461	0.6
109.07607	0.5
109.10148	2.0
110.03664	28.4
111.04458	8.2
111.08075	1.3
113.06020	0.9
114.05511	3.1
117.03391	0.8
117.07063	0.5
118.66462	0.6
121.10146	4.3
123.04435	2.2
123.11695	1.8
125.05994	77.4
125.09631	2.0
126.05509	1.7
126.06349	0.9
127.03927	5.1
128.06230	1.7
129.07019	4.8
130.06548	0.7
131.08574	0.9
136.39304	0.5
138.03102	1.2
139.01892	0.7
139.03905	20.1
139.07535	0.6
139.11168	2.9
140.04663	1.0
140.07040	0.7
141.05383	0.8
141.06990	1.8
142.02644	0.7
142.05891	1.1
142.07774	5.9
143.08510	4.3
145.02824	1.0
149.09639	0.9
149.13249	2.2
152.06184	1.2
153.05467	100.0
154.06256	39.7
155.03395	2.9
155.06917	1.6
155.08441	1.2
156.04128	1.3
157.05075	0.7
157.06491	2.0
157.07631	0.7
157.10118	6.5
157.13361	1.2
158.05948	0.5
163.01865	0.7
165.07098	0.6
167.03358	0.7
167.07039	0.5
167.08450	1.0
167.10666	2.0
167.14400	1.2
169.05003	0.8
170.05608	6.6
170.07256	2.1
170.10884	3.8
181.02847	1.9
185.04469	1.2
185.06068	1.1
185.08070	28.6
185.09636	10.5
185.11630	1.3
185.13203	9.1
185.15216	0.9
186.05492	0.7
186.07605	0.9
186.09184	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01876	1.8
55.05516	2.3
55.29045	0.6
56.05035	1.9
56.96573	4.5
57.03429	1.1
59.06123	1.7
60.04530	1.2
60.08172	0.9
67.05511	5.1
67.37565	0.7
68.05017	3.4
68.99818	0.7
69.03426	2.2
69.07068	100.0
70.06592	87.2
70.07001	0.8
70.07394	1.2
71.04997	2.4
71.52573	0.9
72.04509	0.8
72.08159	4.0
72.93801	0.7
76.22987	0.7
79.05486	2.2
80.05025	1.3
81.03419	0.8
81.07053	2.2
82.06582	3.5
83.04990	1.3
83.06115	2.0
84.04513	2.1
84.08147	3.1
85.02907	1.8
85.06517	1.1
86.06067	2.3
86.09701	8.2
87.04503	1.1
91.05505	0.8
93.07037	1.5
94.06586	1.3
95.04965	5.0
95.06085	1.6
95.08603	1.6
96.04472	1.0
96.05305	4.1
96.08122	3.0
97.02896	0.9
97.06537	2.2
97.07682	2.2
98.06061	0.8
98.09708	1.3
98.98438	1.1
99.05582	1.0
100.07622	1.4
101.00865	2.5
101.95027	1.8
103.16211	0.7
104.10742	2.5
104.26767	0.6
105.03375	1.4
106.03699	1.8
107.04912	1.0
109.07636	2.4
110.06030	2.4
110.07150	1.3
110.09674	1.7
111.04446	1.2
111.05627	0.9
111.08081	0.9
111.09219	1.2
112.07599	1.2
113.06008	1.2
113.07140	0.9
114.05503	2.5
116.07092	78.9
116.98630	1.3
119.01049	1.1
119.01914	19.2
119.02721	1.5
119.96024	1.4
120.01990	1.0
121.06516	1.2
121.10132	1.0
122.06017	1.1
123.04421	1.4
124.03982	1.0
124.04748	3.3
124.07592	11.0
124.08497	1.0
124.11251	1.5
124.99995	2.5
125.02357	1.4
125.06009	0.9
125.07124	2.0
125.09568	0.9
126.05532	1.0
126.09144	1.6
127.08684	0.8
128.07057	3.1
129.06999	1.1
134.99686	1.2
136.08658	0.8
137.02948	10.3
137.97093	0.9
138.05472	1.8
138.09132	3.0
138.10133	0.6
138.12801	0.9
139.07521	1.0
139.08582	1.1
140.10710	20.1
141.05029	1.1
142.03506	4.4
142.05061	0.8
142.07689	0.8
142.08635	3.4
142.09630	0.9
142.12262	2.7
143.03596	0.8
143.08562	0.7
149.07076	0.8
156.07487	1.0
156.10193	1.0
156.13844	1.0
157.09900	0.8
160.04503	2.2
161.02866	1.6
166.05034	2.5
166.08592	2.0
166.09833	1.1
166.12257	1.2
167.10472	0.9
179.03964	2.4
184.05977	1.3
184.07503	3.8
184.09616	9.9
184.13297	22.8
185.05913	1.4
185.09464	1.1
185.13358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0606
Annotation	3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate
Peak:m/z	Relative Intensity
51.78719	0.4
53.03944	0.8
55.01866	0.8
55.05511	1.5
56.05042	0.8
56.96566	18.8
57.03437	1.6
59.06113	0.5
60.04531	1.0
60.95858	1.2
61.02938	1.9
65.03941	2.0
65.92641	0.7
67.05507	1.6
68.99788	0.4
69.03429	2.4
69.07066	2.3
69.30982	0.4
69.61010	0.6
69.61424	1.8
70.06593	13.1
70.98139	0.7
71.04994	1.5
71.95267	1.1
72.08157	3.7
73.02913	2.1
74.97626	0.7
79.05496	0.8
80.05043	0.4
80.94961	0.8
81.03410	1.2
81.07057	0.7
82.02915	0.4
82.06612	1.8
83.00764	0.7
83.04988	0.5
83.06100	0.7
84.04500	1.0
84.08153	3.2
84.96033	0.9
85.02905	3.6
85.06535	0.6
86.06049	0.8
86.09706	5.1
87.04467	0.4
89.00769	1.3
91.05486	1.0
92.01331	0.9
92.05023	2.3
93.32857	0.4
94.06612	0.5
95.04971	1.0
95.06105	0.9
96.01612	0.5
96.04482	1.0
96.05316	0.9
96.08125	0.7
97.02894	2.2
97.06536	1.8
97.07648	0.5
97.99154	0.6
98.01297	0.8
98.06052	0.4
98.09655	0.3
98.97587	9.0
98.98238	0.6
98.98524	0.4
100.07608	0.5
101.00887	2.6
101.95034	6.5
102.96909	1.1
103.00521	0.3
104.05075	0.4
104.10743	0.4
107.04964	1.7
109.00526	0.4
109.02881	0.4
109.07692	0.5
110.01292	1.4
110.02409	0.9
110.06054	2.9
110.07175	3.9
110.09694	1.1
110.97573	0.8
112.01023	1.6
112.04028	0.6
112.07652	0.6
113.06027	0.4
116.00207	0.6
116.98631	5.8
118.01031	1.2
119.01905	21.9
119.96063	3.8
120.02042	0.8
120.04435	1.9
120.08107	0.6
120.97912	1.7
121.01536	1.4
121.97541	0.8
122.06007	0.5
123.04414	1.4
124.00999	0.6
124.03955	1.0
124.04776	0.8
124.07629	0.9
124.08584	0.4
124.11218	1.9
124.99999	0.9
125.06120	0.4
125.07117	1.1
128.02324	3.6
128.07114	0.5
128.98618	1.9
129.10265	0.5
131.00206	0.7
131.01804	0.6
133.01558	1.5
134.99686	3.3
136.07600	0.8
137.02950	10.0
137.97110	2.8
138.03055	0.4
138.05498	7.4
138.09132	1.3
138.12749	0.7
138.98940	1.7
139.01541	1.1
139.08629	0.7
139.53166	0.4
140.10689	2.1
142.03497	4.1
142.04562	0.5
142.05054	0.4
142.08682	1.9
142.12306	0.9
143.00154	1.5
143.03734	0.6
144.04799	0.6
144.98059	0.7
145.01564	1.3
146.99658	1.6
148.03931	81.6
149.04254	1.4
153.00714	0.4
154.02057	1.3
155.98169	1.5
156.06540	0.7
156.07689	3.3
156.13788	0.5
157.09705	0.5
158.99654	1.1
159.03220	0.4
160.02885	0.5
160.04530	1.5
160.97476	0.7
160.98735	0.9
161.01302	2.5
161.02905	2.2
161.04674	0.7
162.99115	1.4
163.02568	0.4
165.96501	0.7
166.05000	100.0
166.12277	0.8
167.05414	1.8
170.99681	0.5
172.02963	0.4
175.02658	0.5
177.00696	1.2
178.98512	0.7
178.99928	0.6
179.02359	0.8
179.04010	1.9
179.05444	0.4
184.06046	15.0
184.07399	1.5
184.09555	2.4
184.11032	0.5
184.13322	10.1
185.07120	2.4
185.09238	1.2
189.00771	0.5
191.02234	0.5
202.03809	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	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.1
55.10346	0.1
56.05031	0.8
56.96559	0.6
58.06593	0.3
58.99873	0.1
59.06109	0.1
60.00657	0.2
60.04523	0.1
66.97883	0.1
68.05025	0.1
70.06582	0.2
71.50939	0.1
71.51400	0.1
71.95271	0.4
72.08174	0.1
77.00909	0.1
80.02708	0.1
80.05023	0.1
82.06587	0.1
82.99818	0.9
83.06110	0.4
83.99942	0.1
84.04515	0.3
86.06069	0.1
94.06570	0.1
95.04954	0.2
95.06078	0.1
96.04437	0.1
96.05318	0.3
97.07647	0.2
98.06053	0.1
98.97581	0.2
100.02493	0.4
101.00874	12.2
101.95031	3.9
102.00946	0.7
102.96883	0.1
105.03383	0.2
106.03738	0.2
109.07632	0.3
116.01918	0.1
116.05587	0.2
116.98624	0.3
118.03512	1.3
119.01920	100.0
119.96065	2.3
120.02013	5.0
120.03293	0.2
120.97914	0.2
121.01581	0.4
121.02364	0.3
123.04610	0.1
124.02443	1.1
124.04774	0.3
125.02603	0.1
125.07096	0.2
133.01616	0.1
133.03453	0.3
134.02991	0.3
134.06638	0.2
134.99646	0.5
136.04558	0.8
136.08707	0.1
137.02956	52.5
137.97104	2.4
138.03075	2.4
138.05495	0.1
138.98943	0.3
139.03381	0.3
141.05083	0.3
142.03497	23.4
143.01839	0.2
143.03700	2.6
144.03267	0.3
145.04565	0.2
151.04475	0.1
155.98146	1.0
156.05138	0.2
156.13873	0.1
158.06651	0.6
159.06165	0.3
160.04555	10.7
160.98759	0.6
161.02946	6.0
161.04294	3.2
162.03114	0.2
162.04237	0.6
165.05092	1.7
166.05139	0.3
174.06143	0.1
176.07693	0.3
178.03818	0.1
178.05614	0.6
178.99747	0.3
179.03984	11.0
179.05507	1.7
180.04118	0.4
180.05423	0.3
183.06195	0.3
184.04550	1.0
184.06093	0.6
184.09526	0.2
184.10886	0.3
184.13277	0.1
184.17082	0.1
185.04370	0.1
185.06009	0.2
202.05595	1.2
202.07277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.154
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
50.57653	0.5
55.01857	0.9
55.05502	7.4
57.03421	1.0
57.07072	3.1
58.02961	29.9
60.41671	0.4
60.55213	0.5
60.96724	0.4
63.72095	0.4
67.05503	17.4
69.03414	1.2
69.07066	59.4
69.19872	0.5
69.20205	5.8
70.06577	2.3
70.07394	1.1
71.05006	0.7
71.08630	0.5
72.08133	1.3
74.06059	1.4
74.77048	0.5
79.05478	4.7
81.06590	1.0
81.07056	16.5
82.06572	0.9
83.04971	1.1
83.08613	6.9
84.04494	0.8
84.08141	8.1
86.06063	0.9
91.05484	4.2
93.07041	10.2
95.04977	2.3
95.08601	6.4
96.08120	0.5
97.06520	3.2
98.06056	2.3
98.09673	2.0
98.97583	1.2
98.98478	0.5
99.97914	0.6
100.07608	5.0
103.25330	0.5
105.03361	1.0
105.07032	11.4
107.07879	1.1
107.08594	16.0
109.06502	1.7
109.10154	43.5
110.10442	0.9
110.32709	0.5
112.07594	2.4
114.09157	13.5
116.98611	1.2
119.08533	1.1
121.10139	1.4
123.04470	1.2
123.08039	1.0
123.11713	8.5
124.11199	0.7
125.13334	0.6
125.71858	0.5
126.09148	12.3
126.12766	1.8
128.10768	1.0
131.52248	0.5
133.10121	26.3
134.10466	1.1
135.11690	16.8
137.13165	0.7
138.12775	17.1
140.08156	0.5
140.14368	1.0
147.11674	4.8
151.11179	10.1
151.77774	0.5
153.12730	12.2
154.15869	0.7
163.10640	0.5
164.14372	2.6
165.12718	2.1
168.84560	0.5
182.05814	0.7
182.15399	100.0
183.15717	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	182.0579
Annotation	L-2-Amino-4-(hydroxymethylphosphinyl)butanoate
Peak:m/z	Relative Intensity
58.06598	1.2
70.71014	1.1
72.47198	0.3
84.35178	0.4
90.76659	0.4
93.80128	0.3
94.39067	0.4
100.11256	2.3
114.26114	0.3
137.12503	0.4
140.01321	0.4
155.60100	0.4
182.05794	100.0
183.06160	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	Tyrosine
Peak:m/z	Relative Intensity
51.02379	0.3
53.03957	0.3
55.01865	0.4
55.05507	0.8
55.91395	0.2
56.96571	2.0
57.03436	0.4
58.06596	0.3
65.03941	0.9
67.05515	0.6
68.05041	0.3
69.03411	0.3
69.07063	0.4
69.65037	1.6
70.06593	1.6
74.02447	1.2
77.25884	0.2
79.05489	0.4
80.05025	0.3
81.03436	0.4
81.07038	0.9
82.06574	0.3
83.06107	0.3
83.08593	0.3
84.08131	0.5
85.02901	0.4
91.05481	34.5
92.05796	0.6
93.07030	0.4
94.06544	0.5
95.04969	6.9
97.02884	0.4
98.06066	0.4
98.09657	0.3
98.97573	2.4
98.98518	0.3
99.97922	0.4
103.05460	1.0
104.05831	0.3
105.03372	0.8
105.04503	0.3
107.04958	0.8
108.05218	0.3
108.08117	0.8
109.02843	0.3
109.06583	2.2
110.06035	0.4
111.04449	0.5
112.07596	0.5
116.98618	1.3
118.06549	3.1
119.04940	35.1
120.05274	0.6
121.06512	0.5
122.06007	1.0
122.07058	0.3
123.04429	13.8
123.06802	0.7
125.07121	0.3
126.09184	0.3
134.99675	0.6
136.07576	100.0
137.05960	0.6
137.07912	1.7
139.03859	0.3
140.04716	0.5
140.07062	0.7
140.08174	0.4
142.99226	0.2
147.04396	5.2
153.05460	1.0
154.08614	0.8
155.06995	0.5
155.08202	0.4
158.96342	0.3
158.99626	0.7
164.07054	1.8
164.08217	0.3
164.10609	0.3
165.05475	6.4
167.03314	0.2
177.00681	0.8
181.04822	0.3
182.05788	1.3
182.08098	6.6
182.11568	1.3
183.07762	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
52.03806	0.7
53.03947	4.5
55.01851	2.9
55.05276	0.9
55.05511	14.0
56.96544	3.1
57.03430	2.3
57.07074	5.8
59.04988	0.8
62.14702	0.7
65.03945	4.0
67.05506	10.4
68.99781	1.1
69.03415	2.3
69.07061	4.9
69.44926	5.3
70.06535	0.8
71.04984	3.8
75.04491	1.0
77.03918	1.0
79.05487	9.5
79.83147	0.7
81.03403	1.3
81.07044	11.0
82.04178	1.1
83.04987	8.2
83.08633	1.8
85.02913	2.0
85.06526	3.1
87.09839	0.7
91.05479	18.0
93.03391	2.3
93.07041	35.0
95.04957	9.2
95.08603	20.1
97.02907	0.8
97.05919	1.4
97.06522	15.7
98.21480	1.7
98.97582	22.6
103.05460	6.1
103.06081	1.0
105.04501	1.6
105.07018	6.1
106.04121	1.8
107.04953	3.5
107.08587	23.8
109.06500	5.8
109.10181	3.5
110.03635	1.3
111.04432	24.9
111.08073	8.4
113.06026	0.8
116.98619	19.9
117.07001	2.3
119.04978	0.9
119.08572	4.6
121.02898	1.2
121.05685	0.9
121.06508	14.9
121.10147	8.0
123.00729	1.0
123.04441	0.9
123.08053	3.3
125.05985	69.2
125.09581	1.1
127.07534	1.8
130.07785	1.9
134.03645	1.3
134.99658	15.6
135.04359	1.2
135.08064	9.5
135.11685	26.7
136.12062	1.1
137.05919	2.2
137.09552	0.8
138.06757	8.4
139.03876	1.6
139.07536	3.5
140.00188	1.7
145.10130	12.5
148.05194	1.0
149.05966	7.4
153.00743	1.3
153.09128	1.5
153.12714	7.2
158.01207	2.2
163.03951	5.9
163.07474	0.9
163.11180	21.4
166.02557	1.2
166.06364	0.8
166.07761	1.8
169.01256	1.2
171.06508	1.1
181.04950	11.8
181.06468	2.6
181.08832	6.6
181.12227	100.0
182.12584	2.4
184.03691	1.3
188.06496	0.8
194.86610	0.7
197.00826	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03944	0.6
55.01876	0.8
55.05504	3.1
56.56334	0.5
56.96338	0.4
56.96574	4.3
57.03426	0.8
57.07074	1.3
59.05012	3.6
62.09393	0.6
65.03890	0.5
67.05488	2.6
69.03436	1.4
69.07066	3.9
70.01848	2.3
71.04985	0.6
71.95255	0.9
79.05504	6.3
80.96712	0.6
81.03401	0.6
81.07050	8.0
83.04983	1.8
83.08611	0.9
91.05489	4.7
93.06485	1.2
93.07047	16.9
95.04954	1.8
95.08608	14.1
96.89699	0.5
97.06523	2.3
97.21047	0.5
98.21413	0.9
98.97589	26.0
103.05501	0.8
105.07037	3.3
107.04989	0.8
107.08598	30.5
109.06523	1.3
109.10171	1.9
111.04427	1.4
111.08060	1.4
116.98623	24.6
117.06981	0.7
119.08595	3.8
121.06531	5.6
121.10146	16.9
123.08067	3.1
125.05991	5.0
134.07269	0.6
134.99657	14.2
135.08052	1.5
135.11693	40.4
136.12019	1.2
137.09621	0.8
137.13263	1.7
139.07538	6.9
140.00189	1.8
145.10124	11.2
149.06003	0.8
153.00702	2.4
153.06979	0.6
153.12756	2.3
158.01250	2.3
163.03835	1.0
163.11177	28.7
180.08098	2.2
181.05011	1.1
181.08881	7.8
181.12236	100.0
182.09666	0.7
182.12581	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	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03953	3.2
55.01875	1.5
55.05511	35.5
56.05858	0.7
56.96566	10.1
57.03444	1.4
57.07080	13.6
57.93578	0.6
59.05000	1.2
65.03940	2.2
67.01856	1.9
67.05503	13.8
69.03432	2.8
69.07071	6.8
69.98554	1.2
69.98952	1.6
71.01353	0.9
71.04987	1.7
71.95267	1.1
74.01729	0.6
77.03927	0.9
78.77001	0.6
79.05492	10.6
81.03412	1.0
81.07051	13.4
83.04979	16.1
83.08633	1.6
85.02916	0.7
85.06541	6.3
91.05480	13.8
93.07043	32.9
95.04972	8.3
95.08610	22.2
97.06535	16.5
98.97586	47.4
103.05473	2.1
105.07027	12.4
107.04980	3.4
107.08596	39.1
109.06524	8.8
109.10124	3.1
111.04444	100.0
111.08080	9.9
112.04811	2.2
113.06001	5.1
113.53120	0.6
116.98621	47.7
117.06999	3.0
119.06115	1.0
119.08589	3.7
120.09351	1.0
121.02895	0.8
121.06506	10.3
121.10160	8.2
122.07285	2.5
123.04454	0.6
123.08096	2.6
125.05994	63.9
125.09589	1.5
127.07577	2.7
128.06236	0.7
129.06985	0.9
130.06841	0.5
130.07776	3.6
134.99661	34.7
135.07019	0.8
135.08049	24.0
135.11693	29.7
136.12027	1.1
137.09561	0.8
137.13194	0.8
138.06778	4.3
139.03897	2.5
139.07565	3.6
139.98763	0.7
140.00189	3.4
143.08585	0.7
145.10127	23.2
146.54704	0.7
149.06001	1.2
153.00731	6.3
153.09105	1.2
153.12749	6.8
158.01274	5.3
163.03914	5.5
163.11182	26.5
163.12560	1.3
164.11610	0.6
167.07269	1.7
172.51543	0.7
176.02327	0.9
181.04951	4.4
181.06435	1.4
181.08746	2.1
181.12236	66.5
182.09621	3.6
182.12575	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	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
52.74229	1.3
53.03957	2.3
54.25068	1.9
55.01863	1.8
56.96566	7.9
57.07076	21.2
59.04993	2.9
68.41648	1.5
69.03457	1.5
69.07060	3.6
70.78516	3.1
70.78874	4.2
77.73631	1.4
79.05486	9.2
81.03413	4.9
81.07043	5.0
83.04981	39.2
86.44061	1.6
91.05458	3.2
93.07043	6.0
95.04974	14.5
97.06523	24.0
98.43615	1.7
98.97583	31.5
99.05600	9.7
105.07016	5.5
107.04955	1.8
107.08574	11.1
116.97315	1.7
116.98626	41.2
117.99107	1.6
119.08579	3.9
121.06510	2.9
121.10130	10.0
125.05995	53.6
126.06425	1.5
126.24174	1.4
127.45177	1.7
130.07808	1.9
134.99661	43.2
135.11674	5.7
140.00206	5.9
145.10149	10.0
151.02393	1.4
153.00717	10.7
158.01262	11.0
163.11180	100.0
164.11580	2.4
176.02367	1.9
181.10828	3.7
181.12228	26.9
182.05809	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	181.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.3
56.96552	4.8
57.07080	29.0
59.04983	3.8
64.59178	2.6
67.05491	2.6
69.07067	5.5
69.73735	12.4
69.74152	5.7
79.05479	9.7
79.28840	2.2
81.03419	7.3
81.07050	3.7
83.04984	45.9
91.05493	3.8
93.07029	7.1
95.04965	19.1
97.06528	29.4
98.97583	25.9
105.07040	4.1
107.08586	10.0
116.97259	4.0
116.98619	31.7
121.06523	4.9
121.10125	14.6
125.05991	69.7
127.81123	2.5
130.07858	3.3
132.22369	2.7
134.99658	33.1
135.11688	8.9
140.00172	3.5
145.10150	10.8
153.00700	7.1
155.35452	2.6
158.01250	11.3
163.11188	100.0
164.11507	5.4
178.23917	2.5
181.12221	31.0
182.05788	27.2
182.12589	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	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.19869	0.5
53.03932	2.4
54.79091	0.6
55.01870	4.5
55.05506	6.2
56.05005	0.8
56.96553	1.8
57.03418	2.5
57.07081	3.0
59.04990	1.1
59.06120	1.0
60.56347	0.7
61.65012	0.6
64.97588	0.5
65.03931	4.3
67.01849	1.2
67.05497	9.8
68.05035	0.8
69.03420	2.5
69.07072	3.8
70.06576	2.0
70.35175	1.1
70.35538	2.1
71.04980	2.6
72.08142	2.4
77.03911	1.1
78.64646	0.6
79.05490	37.8
80.05807	0.9
80.06275	0.6
81.03407	2.1
81.04536	0.8
81.07053	20.4
82.04212	1.0
82.21569	0.6
83.04981	8.1
83.06094	1.1
83.08625	1.5
84.04462	0.7
84.08123	1.6
85.02896	2.2
85.06527	1.9
85.07663	0.8
91.05480	16.1
93.07039	54.4
94.07355	0.8
95.04963	9.8
95.06062	1.2
95.08597	3.8
96.08140	0.7
97.02898	0.9
97.06527	6.7
97.07649	1.4
98.97581	8.3
99.04467	0.9
99.05585	0.9
103.05470	2.7
105.03370	1.2
105.04511	1.2
105.07024	6.9
106.03700	1.8
107.04939	2.9
107.06116	1.1
107.08588	17.2
108.02084	0.9
108.08110	0.8
109.06490	3.5
109.10150	2.4
110.03640	1.4
110.06016	0.7
110.07175	0.9
111.04442	2.1
111.08070	1.8
113.05982	1.7
116.98622	10.6
117.06999	4.0
119.04945	1.3
119.08574	14.5
120.05732	0.7
121.02868	0.7
121.06511	13.0
121.10136	100.0
122.07170	1.3
122.10469	3.0
123.04427	0.9
123.08047	1.9
125.05981	10.6
130.07787	1.6
134.99644	8.8
135.04431	2.0
135.08055	4.0
135.11685	19.7
135.12727	1.0
136.05110	0.8
136.07516	2.4
136.08601	1.3
136.12070	0.9
137.05984	1.1
137.09598	2.1
138.03136	0.8
139.03894	1.2
139.07526	1.6
139.11183	0.8
140.08183	1.7
140.10724	2.8
142.02684	0.6
145.10103	11.5
146.10451	0.7
149.05974	1.7
153.00677	1.8
153.12743	3.8
158.01221	0.8
163.03893	4.8
163.07533	1.9
163.11166	35.8
164.07063	2.3
164.08299	3.3
164.11560	1.4
166.06293	0.9
171.06534	1.0
180.27103	0.6
181.04962	10.7
181.06523	1.4
181.08559	3.7
181.10712	1.7
181.12196	12.3
182.08003	0.9
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	2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrienone
Peak:m/z	Relative Intensity
51.02386	1.3
53.03944	10.7
53.40728	1.2
54.03473	1.9
55.01866	6.3
55.05518	9.2
56.05028	3.8
56.96568	9.5
57.03419	3.8
57.07067	2.4
58.06588	1.2
59.06113	4.0
60.04521	2.1
65.03674	1.0
65.03947	12.2
66.58289	1.2
67.02969	2.4
67.05502	10.3
68.05029	5.8
68.99777	1.5
69.03427	5.9
69.04532	1.4
69.07053	5.0
69.66095	8.5
70.06596	7.0
71.01357	1.2
71.04977	2.7
71.95264	1.6
72.00868	4.0
72.04504	2.2
72.08142	4.4
77.03923	2.9
78.04710	2.2
79.05070	1.6
79.05495	20.9
81.03424	6.6
81.04539	3.6
81.07068	9.8
82.04185	3.0
82.06568	3.2
83.05002	7.5
83.06100	7.1
83.08616	2.3
84.04485	3.8
84.08126	4.8
85.02901	4.3
85.06522	2.2
85.07653	1.5
86.06057	1.7
87.05596	1.2
89.03922	3.3
91.05482	91.4
92.06265	2.8
93.03407	2.8
93.07043	64.0
94.06582	2.0
94.07394	1.2
95.04968	48.5
95.06007	5.8
95.08630	5.8
96.08135	2.5
97.02872	4.6
97.03996	1.3
97.06541	8.7
97.07634	4.8
98.06046	2.0
98.07197	2.0
98.21418	1.6
98.97585	33.8
99.04464	1.3
99.05556	3.9
99.08053	1.2
101.07172	1.3
103.04807	2.1
103.05470	41.0
104.38876	1.2
105.03387	3.7
105.04522	7.3
105.07023	7.2
106.04208	2.0
107.04965	7.0
107.06051	1.9
107.08597	15.4
108.05653	1.5
109.02858	2.5
109.06539	6.1
109.07642	3.4
109.10149	3.7
110.03664	4.7
110.06023	1.8
110.07104	2.1
111.04436	12.4
111.08035	4.2
111.09198	1.4
113.06014	1.3
114.06641	2.4
116.98620	44.7
117.06990	5.0
119.04945	11.7
119.05748	1.6
119.06023	1.3
119.08585	4.6
120.05711	9.7
121.02886	5.6
121.06503	84.0
121.10147	20.2
122.06018	18.6
122.07113	7.1
123.04423	9.2
123.05553	3.7
123.08065	5.5
123.09106	1.3
124.05193	2.1
124.08685	3.8
125.05983	11.5
125.06971	2.8
125.09599	1.7
125.84381	1.4
127.03900	1.3
131.04996	2.6
131.06041	3.1
133.02844	6.7
134.03642	1.5
134.99664	49.8
135.04419	8.5
135.05377	1.9
135.08058	10.9
135.11703	8.8
136.05215	2.3
136.07568	6.8
136.08691	5.6
137.02359	6.6
137.05977	8.2
137.07016	2.6
137.09622	3.2
138.03154	1.7
138.06721	7.7
138.09093	1.4
139.03902	7.6
139.07584	6.7
139.09799	1.6
140.00136	2.3
140.08171	5.0
141.06577	1.2
141.08881	1.6
145.02766	1.3
145.10107	4.0
147.04402	4.5
148.05188	7.1
149.02350	4.4
149.05984	34.9
151.03905	10.5
151.07539	2.9
151.09630	1.6
153.00723	10.1
153.05450	3.4
153.06982	3.9
153.09102	2.5
154.08611	1.6
154.09764	3.2
158.01247	6.1
163.03923	14.2
163.06189	1.7
163.07521	10.3
163.09784	2.3
163.11145	16.5
163.14867	1.4
164.01602	1.7
164.07028	4.5
164.08275	7.8
164.10683	13.1
164.11835	1.6
166.06268	33.7
166.07719	2.3
171.06454	2.7
176.02280	2.1
181.04956	26.1
181.06558	7.5
181.08592	100.0
181.10765	8.3
181.12230	12.2
181.15807	2.1
182.00998	1.3
182.05768	1.5
182.08173	4.8
202.84969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Aspirin
Peak:m/z	Relative Intensity
51.02375	0.5
52.59652	0.4
53.03946	4.9
54.03442	0.4
55.01865	3.1
55.05497	1.4
56.96567	7.0
57.03418	0.7
57.07063	1.3
58.83245	0.4
59.04995	0.4
65.03936	4.4
67.01865	28.7
67.05506	3.8
68.99780	5.4
69.03422	1.5
69.07055	1.6
69.74734	2.4
70.06580	0.5
71.04980	1.2
71.95245	1.5
75.04462	1.0
77.03919	0.6
79.05492	6.9
81.03413	1.7
81.07051	3.3
82.04185	0.7
83.04980	4.7
83.08607	0.7
85.02898	1.3
91.05481	8.2
92.05806	0.4
93.03399	4.0
93.07044	9.2
95.04964	11.5
95.08584	1.6
97.02872	0.9
97.06549	2.5
98.97581	28.7
99.00824	2.1
99.04482	0.5
103.05479	4.4
105.04537	0.8
105.07023	1.6
106.04171	1.5
107.04951	4.8
107.08597	3.5
108.02125	0.5
109.02935	0.8
109.06501	1.7
109.10149	0.7
110.03667	0.7
110.07177	0.6
111.04426	2.1
111.08095	0.7
116.98621	37.3
117.07034	0.9
119.04937	0.6
119.08549	0.9
121.02855	6.1
121.06504	12.1
121.10142	6.2
122.03194	1.2
122.07132	0.5
123.04405	0.5
123.08025	0.8
125.05994	4.9
125.09637	0.6
134.03595	0.8
134.99654	46.3
135.04408	12.5
135.08051	1.8
135.11676	2.0
136.07571	0.8
137.05940	1.2
138.03142	0.8
138.06702	0.7
139.03900	30.2
139.07533	0.6
139.11177	0.5
140.00172	3.4
140.04248	0.7
140.08160	1.0
141.01836	1.9
145.02867	0.6
145.10150	2.1
149.05986	6.0
153.00703	10.7
153.05472	1.1
153.07011	1.0
153.09146	2.1
158.01253	9.7
163.03900	100.0
163.11157	7.4
164.04266	2.7
164.07056	0.6
165.06992	0.7
166.06236	1.4
166.07745	1.5
171.06528	0.7
176.02353	1.4
181.04956	61.1
181.06310	2.2
181.08499	5.5
181.10175	2.1
181.12163	4.9
181.15817	0.7
182.05336	1.7
182.08112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1018
Annotation	N-Acetyltyramine
Peak:m/z	Relative Intensity
53.03938	0.4
55.01868	0.4
55.05500	0.5
56.05030	0.3
56.96548	0.6
58.12090	0.2
60.04500	0.2
65.03939	0.6
67.05514	0.8
68.05021	0.2
69.03428	0.8
69.07071	0.2
70.06584	0.6
71.04988	0.2
71.14074	0.2
72.08145	0.5
74.30984	0.2
76.91666	0.1
77.03908	0.2
79.05482	1.4
80.05029	0.3
81.03421	0.3
81.07040	0.5
82.06576	0.5
83.05000	0.4
83.06093	0.2
84.04504	0.2
84.08144	0.8
85.02934	0.4
86.09719	0.3
88.03964	0.2
91.05473	2.8
92.05760	0.3
93.06480	0.3
93.07043	3.7
94.06570	0.2
95.04965	1.9
95.06070	0.3
95.08601	0.5
95.56482	0.2
96.05293	0.2
96.08135	0.5
97.06496	0.4
97.07635	0.3
98.07191	0.4
98.97582	1.7
103.05468	8.4
104.05795	0.3
105.03370	0.6
105.04539	0.2
105.07032	0.6
106.06578	0.4
106.07349	0.3
107.04961	0.6
107.06143	0.3
107.08597	0.9
108.04462	0.5
108.08899	0.2
109.06536	0.3
109.07615	0.2
110.06013	0.4
111.04446	0.4
111.09190	0.2
112.07587	0.3
116.30779	0.2
116.98611	1.4
117.07029	0.3
118.06540	0.3
119.04964	0.5
119.07339	0.2
119.08578	0.5
120.08102	100.0
121.06507	6.4
121.07439	0.3
121.07630	0.2
121.08433	2.8
121.10139	1.0
122.07187	0.4
123.05577	0.2
123.08042	0.4
124.07598	0.4
125.05985	0.4
131.04916	1.1
132.97879	0.2
134.06012	0.7
134.06985	0.3
134.10527	0.9
134.99651	1.9
135.04507	0.3
135.08087	1.0
135.11687	0.4
136.07635	0.3
136.08675	0.2
137.05980	0.7
137.08203	0.2
138.05472	0.3
138.06577	0.5
138.09128	0.4
139.09779	0.4
140.08162	0.3
148.04791	0.3
148.07582	0.7
149.05998	0.4
150.09177	0.2
151.03987	0.2
152.06020	0.2
152.07091	0.8
152.10709	0.6
153.00752	0.3
154.25127	0.2
157.05113	0.2
158.01363	0.2
162.05472	1.3
162.09052	1.2
163.03897	0.7
163.07573	0.9
163.09698	0.4
163.11172	0.5
165.05507	0.4
165.09132	0.6
166.06345	0.2
171.06618	0.2
180.02820	0.2
180.06367	1.2
180.07773	0.5
180.10112	3.2
180.12445	0.4
181.04942	1.0
181.08545	1.2
181.10831	0.4
181.12260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19356	0.2
51.02385	0.5
53.03950	2.2
55.01868	0.3
58.06313	0.3
58.06600	5.3
61.36328	0.2
69.03460	0.2
70.88596	0.4
72.27879	0.2
77.03930	0.9
79.05505	0.3
81.03404	0.5
81.07067	0.2
81.13004	0.2
84.08121	0.2
91.05474	0.2
93.07037	0.3
95.04968	4.1
98.97558	0.4
105.03391	100.0
106.03715	2.2
116.98624	0.4
117.87544	0.2
120.08096	2.4
121.06522	0.4
121.08455	0.2
121.10132	0.2
131.95718	0.2
134.06024	0.6
134.10493	0.2
134.99637	0.4
145.03267	0.2
162.05501	0.2
162.09125	5.5
163.07536	7.3
164.07973	0.2
180.06561	0.2
180.10178	2.4
181.04976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.22293	0.8
53.03939	2.0
55.01881	4.6
55.05515	7.6
56.96556	2.1
57.03441	6.1
57.07063	2.3
59.04995	1.1
65.03943	1.7
65.43186	0.8
67.05507	38.5
69.03417	3.5
69.07069	10.3
69.33022	1.3
69.33422	6.7
71.04992	4.4
79.05495	26.4
81.07059	96.0
82.07374	1.9
83.04982	7.5
83.08634	5.1
85.06550	8.0
89.74027	0.9
91.05485	29.2
93.07046	30.9
95.04978	7.2
95.08611	74.6
96.08945	2.0
97.06536	14.5
97.18721	0.8
98.21510	1.9
99.08098	9.5
103.05448	1.2
105.03394	3.4
105.07036	32.4
106.03703	1.1
107.08606	13.6
109.06496	6.3
109.10149	7.6
111.08070	6.4
113.09639	1.5
113.84521	0.7
115.68147	0.9
117.07020	3.0
119.04953	5.5
119.08585	46.1
120.08920	1.4
121.06505	1.2
121.10149	13.0
123.04429	3.1
123.08064	12.1
123.11686	1.2
131.08539	2.1
133.03490	2.7
133.06496	2.9
133.10138	31.6
135.04443	0.9
135.11702	24.4
136.12045	1.0
137.06000	2.7
137.09608	5.1
137.13274	2.0
146.03590	1.2
147.04428	5.5
151.03749	1.0
151.07613	1.7
151.11217	2.2
151.14783	1.0
156.05020	1.8
161.05966	2.9
161.09630	2.6
161.13263	85.1
162.09148	3.6
162.13618	3.1
164.04102	1.0
174.06105	1.2
179.03342	6.8
179.06418	4.3
179.08662	2.4
179.10818	7.2
179.14319	100.0
180.06468	0.8
180.10223	1.2
180.14685	3.3
197.41324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03942	9.3
55.01866	17.5
55.05515	24.3
65.03932	8.6
67.05507	98.4
69.06577	4.1
69.07062	18.6
69.51111	28.9
69.51521	7.1
71.51397	4.1
79.05499	58.1
81.03413	15.2
81.07059	100.0
83.04990	31.2
83.08626	12.6
91.05489	61.0
93.07050	52.8
95.04967	18.9
95.08614	80.5
97.06541	31.6
97.10174	5.5
105.03364	5.1
105.07036	52.2
107.08589	20.5
109.06514	19.5
109.10157	14.7
111.08067	12.4
113.09677	5.2
119.04961	9.6
119.08591	51.4
121.10187	16.2
123.04427	8.3
123.08105	13.6
133.06503	7.4
133.10120	42.3
135.11647	11.9
137.05974	5.3
137.09561	7.9
143.08562	5.1
147.04440	17.8
151.03859	5.5
161.06010	12.5
161.09651	6.9
161.13260	39.6
162.09163	6.5
179.03432	26.6
179.06664	10.2
179.10699	14.3
179.14325	67.1
180.14560	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	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02379	1.1
53.03950	5.6
55.01873	10.3
55.05512	29.2
57.00611	0.8
57.03429	4.0
57.07074	1.9
59.04996	0.8
65.03944	3.8
67.05506	100.0
68.05829	1.2
69.03432	2.5
69.07068	15.8
70.07395	0.8
70.50903	0.6
70.78688	1.6
70.79057	1.3
71.04996	2.9
77.03947	1.0
77.45622	0.6
79.05495	68.8
80.05825	1.1
80.68434	0.6
81.02936	0.8
81.03418	22.6
81.07057	88.9
83.04982	34.7
83.08620	13.8
85.06536	2.6
91.05483	51.7
91.78249	0.7
92.05806	0.7
93.07044	44.8
94.07375	1.3
95.04971	13.9
95.08608	71.9
96.08928	1.4
97.06530	33.7
97.10151	4.2
99.08090	2.5
103.05464	1.4
105.03390	1.7
105.07031	30.7
106.03770	0.8
107.04970	0.9
107.08591	12.9
109.06519	7.0
109.10159	12.5
111.08078	8.9
113.09670	7.5
117.07027	1.8
119.04983	3.5
119.08583	35.5
120.09312	0.7
121.10133	6.3
123.04443	1.2
123.08054	5.8
123.11693	0.9
131.08575	1.8
133.06480	1.6
133.10132	23.8
135.11699	9.2
137.06039	1.6
137.09608	2.8
147.04416	3.0
151.03886	1.3
159.11705	1.4
161.05972	2.9
161.09608	1.4
161.13260	18.0
162.09178	1.9
179.03403	4.6
179.06729	2.2
179.08502	0.9
179.10689	2.7
179.14311	52.7
180.10233	1.2
180.14706	2.0
187.44452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01881	6.7
55.05271	2.2
55.05516	29.6
56.96558	2.2
57.03445	14.2
57.07079	7.6
59.04987	3.8
60.00404	1.4
65.03934	2.5
67.05509	61.0
69.03426	6.1
69.07071	45.6
69.45010	8.0
69.45419	2.9
71.04993	9.4
77.03909	1.2
79.05495	35.1
81.03415	5.7
81.07062	70.2
83.04980	12.9
83.08624	6.4
85.06564	3.2
91.04921	1.5
91.05489	29.4
93.06492	2.2
93.07051	32.7
95.04976	23.0
95.08613	100.0
96.08949	1.8
97.06531	4.1
97.10081	1.3
99.70562	1.7
103.05507	1.8
105.03420	1.3
105.06319	1.6
105.07034	31.4
107.04977	2.0
107.08598	27.8
109.06522	23.5
109.10160	50.2
111.08064	6.2
117.06999	2.5
119.04937	5.2
119.08585	32.3
121.06466	1.9
121.10143	14.5
123.04434	2.9
123.08089	37.6
123.11687	5.1
131.08592	1.9
133.02885	2.0
133.06531	2.9
133.10150	22.8
135.04439	1.6
135.11671	10.8
137.05975	1.9
137.09625	25.3
137.13278	4.1
147.03416	1.5
147.04391	8.9
151.03853	1.6
151.07620	1.8
151.11179	4.3
151.14815	10.8
152.07117	1.5
155.38350	1.3
161.06006	5.2
161.09639	3.0
161.13278	28.1
162.09198	2.5
173.50276	1.3
179.03429	11.6
179.06601	5.0
179.08636	3.5
179.10715	7.7
179.14325	75.0
180.14642	2.8
181.45166	1.4
183.76555	1.7
196.20323	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.00294	1.4
53.03945	2.6
55.01858	6.2
55.05508	19.3
56.96560	2.9
57.03421	6.0
57.07059	6.2
65.03934	3.8
67.05505	85.9
69.03430	7.8
69.07067	17.3
71.04981	8.1
71.53754	1.8
79.05071	2.1
79.05492	25.3
81.03406	4.9
81.07053	67.4
83.04984	8.3
83.08607	5.7
85.06520	1.9
91.05479	25.7
93.06496	2.1
93.07049	32.3
95.04971	21.9
95.08606	100.0
97.06521	6.5
98.98474	2.5
99.08060	2.5
105.03378	5.2
105.07033	35.8
107.04958	3.3
107.08585	20.3
109.06530	16.0
109.09393	2.7
109.10149	51.1
111.08101	1.6
112.07594	1.7
117.07012	3.0
118.04116	2.0
119.04940	9.0
119.08579	32.7
121.10151	14.2
123.04453	3.2
123.08062	47.9
123.11674	3.2
132.11531	1.4
133.02797	1.8
133.06505	3.7
133.10126	19.3
135.04402	1.6
135.11690	10.6
136.02184	2.4
136.05190	1.8
137.06007	2.0
137.09610	21.5
137.13214	4.2
139.93387	1.4
146.03685	2.3
147.04422	12.0
148.04691	1.8
151.11188	5.0
151.14832	9.1
161.05978	7.2
161.09621	5.2
161.13258	23.1
162.09184	5.4
164.03882	1.5
179.03365	14.2
179.06624	5.8
179.08511	3.1
179.10701	8.2
179.14305	70.5
180.10245	2.3
182.76248	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03937	1.6
55.01867	3.3
55.05509	7.7
57.03436	7.6
57.07078	1.4
59.04996	0.6
65.03934	1.6
67.05504	34.4
68.05791	0.6
69.03435	2.6
69.07066	10.6
69.85820	1.3
69.86234	2.0
71.04972	3.7
77.03908	1.2
79.05492	27.2
80.77876	0.6
81.07053	89.0
82.07387	1.1
83.04985	6.7
83.08599	4.6
83.32700	0.6
85.06540	7.1
91.05478	32.1
92.05835	0.7
93.07041	36.7
95.04991	3.2
95.08606	73.8
96.08933	0.9
97.06525	17.9
99.08086	8.7
104.06230	0.7
105.07032	32.7
106.07386	0.6
106.88963	0.6
107.08595	17.1
109.06526	5.5
109.10145	6.9
111.08079	6.7
117.07011	2.1
119.04918	1.9
119.08580	54.1
120.08905	0.8
121.10144	17.8
123.08057	9.2
123.11709	1.7
131.08556	1.3
133.10130	32.8
134.10484	0.9
135.11690	33.7
137.09601	4.2
137.13290	2.8
147.04417	2.6
151.11182	1.6
151.14894	0.8
159.11703	0.7
161.13254	89.2
162.13623	3.9
172.30623	0.7
179.03407	1.2
179.06984	1.8
179.14307	100.0
180.14650	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03928	2.0
55.01868	8.5
55.05509	11.3
57.03425	6.1
57.07058	2.4
65.03922	3.5
66.59777	1.1
67.05504	46.3
68.99757	2.0
69.03419	6.5
69.07063	10.5
69.99642	1.1
70.57346	3.4
71.04975	5.0
77.03922	1.4
79.05490	31.2
80.05814	1.3
81.03425	2.3
81.07053	98.7
82.07407	1.6
83.04973	8.5
83.08607	4.0
85.06540	9.7
86.74504	1.0
89.03903	1.2
91.05480	50.2
93.03300	1.1
93.07039	41.5
95.04970	10.4
95.06067	1.3
95.08604	76.8
97.06522	16.5
99.08091	8.8
103.05466	1.9
105.03364	5.2
105.04517	1.4
105.07025	51.8
106.07313	1.3
107.04945	3.2
107.08583	21.0
108.05684	1.4
108.08973	1.6
108.66246	1.1
109.06509	8.9
109.10148	14.2
111.04413	1.2
111.08065	5.1
117.07029	3.2
118.04150	1.9
119.04948	17.8
119.08577	60.4
120.08822	1.3
121.06468	4.5
121.10141	15.7
123.04430	5.3
123.08072	14.7
123.11640	2.6
131.08571	2.7
132.02066	1.5
133.02803	2.0
133.06471	5.0
133.10135	47.8
134.10472	2.3
135.04364	3.0
135.08035	1.7
135.11685	32.5
136.05142	4.2
136.08818	1.5
137.05966	17.4
137.08209	4.4
137.09567	6.6
137.13286	3.2
147.04413	24.7
149.02362	3.2
151.03908	4.6
151.07530	5.0
151.11143	3.9
151.14790	1.9
161.05994	9.5
161.09644	6.2
161.13252	86.0
162.05380	1.5
162.09128	5.0
162.13547	3.4
164.04579	3.9
179.03423	16.9
179.07143	24.9
179.08682	1.9
179.10744	10.0
179.14297	100.0
180.14612	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	179.1179
Annotation	Didesmethylisoproturon
Peak:m/z	Relative Intensity
51.02376	0.3
53.03940	1.0
54.03478	0.3
55.01877	1.4
55.05504	0.5
56.05038	0.5
56.96567	0.6
57.03426	0.3
58.06595	0.7
65.03960	0.3
67.02995	0.3
67.05505	1.4
68.05019	0.7
69.03432	0.7
69.04553	0.5
69.07050	0.4
70.06590	1.3
71.03484	0.4
72.08140	0.5
73.02888	0.4
75.02623	0.2
77.03938	0.7
79.05495	1.7
80.05023	0.3
81.03436	1.4
81.04524	0.4
81.07070	1.8
83.06105	1.1
84.04497	0.3
84.08151	0.8
85.02921	0.4
86.09746	0.2
89.03922	0.3
91.05478	3.3
93.07032	1.7
95.04983	3.1
95.06084	1.6
95.08599	1.0
96.04463	0.5
97.06480	0.3
97.07649	0.4
98.07082	0.3
98.97591	0.7
103.05455	0.4
105.03391	89.7
105.07018	4.2
106.03722	2.5
106.06593	0.4
107.04958	0.5
107.08606	2.0
108.04481	0.6
108.95886	0.3
109.02902	0.3
109.06533	0.7
109.10139	0.3
110.07172	0.3
112.11246	0.3
117.06985	0.3
118.06552	0.3
119.04947	2.0
119.06862	0.5
119.08586	1.9
120.05598	0.5
120.07640	0.6
121.02889	0.3
121.06481	0.8
121.07699	0.2
122.07143	0.5
123.04439	0.9
123.05571	0.4
123.08074	0.6
127.38053	0.3
129.10277	0.3
131.08545	0.4
133.02856	0.5
133.04996	0.3
133.06505	1.4
133.10127	4.9
134.06018	6.4
134.07112	0.8
134.09631	1.1
135.10011	3.7
135.11613	0.5
136.05232	0.3
137.05962	1.0
137.08218	2.1
137.09534	0.4
138.06636	0.5
139.07475	0.3
147.03380	0.3
147.04410	2.3
151.03889	0.6
151.07541	0.5
151.11215	0.8
152.07065	0.4
152.08177	0.6
155.99692	0.4
161.06003	1.3
161.08266	0.5
161.09608	2.1
161.13313	0.7
162.09138	100.0
163.09517	3.4
165.09125	0.3
174.00746	0.5
179.03333	2.1
179.06848	1.4
179.09241	1.6
179.10670	1.5
179.12599	9.1
179.14217	0.5
196.68181	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1066
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
51.02401	0.5
53.03942	2.2
55.01871	5.7
55.02108	0.4
55.05513	4.5
56.05078	0.7
57.03461	1.2
57.07094	1.3
58.99609	1.2
59.04995	2.8
65.03938	2.6
66.03537	0.5
67.05505	9.1
67.05835	0.7
68.05058	1.8
68.99803	1.2
69.03426	2.8
69.04571	0.7
69.07072	2.3
69.77471	2.7
69.92819	0.4
70.06615	1.2
71.01332	0.5
71.05006	1.0
72.08154	1.1
73.02963	0.9
73.06562	0.8
76.02222	2.7
77.03945	0.5
79.05486	11.6
79.05896	0.7
80.05024	1.1
81.03442	1.2
81.04543	1.1
81.07056	10.5
81.07520	0.5
82.06618	0.5
83.04982	2.6
83.06116	1.4
83.08636	0.5
84.04497	0.7
84.08154	1.0
85.02914	0.7
85.06553	0.6
89.03916	1.1
91.05476	34.5
92.05843	0.8
93.07041	21.3
94.07342	0.7
94.07861	1.0
95.01330	3.6
95.04963	11.3
95.06097	3.4
95.08601	6.3
96.05644	0.5
96.08114	0.6
97.06551	0.9
97.07706	1.0
98.07183	0.5
99.04481	0.5
103.05461	2.7
105.03395	6.1
105.04498	1.0
105.07027	56.8
106.03709	0.7
106.07370	1.8
107.04965	2.9
107.08587	36.2
108.04469	0.8
108.05693	0.9
109.02870	1.0
109.06506	10.0
109.10146	7.7
110.06025	0.7
110.07173	1.5
111.04449	1.5
115.05439	3.2
116.01685	1.1
117.03394	0.9
117.07022	3.5
118.07780	1.8
119.04086	0.8
119.04952	7.0
119.06055	1.1
119.08575	27.2
120.05605	0.9
120.08096	1.7
120.09421	0.7
121.06514	6.2
121.10132	3.7
122.07152	1.3
123.04431	3.6
123.05296	0.5
123.08051	4.7
123.11706	3.2
124.05201	0.6
125.05991	2.4
127.07533	0.8
128.06236	1.1
131.04965	0.7
131.08568	5.4
132.02153	0.5
133.02846	2.3
133.06506	7.2
133.10124	100.0
134.06012	1.1
134.07071	1.0
134.10368	2.3
135.04401	1.7
135.08020	2.4
135.11684	8.2
136.05176	1.3
136.08769	0.7
137.05975	28.4
137.08218	5.7
137.09596	8.0
138.06483	1.4
138.09106	0.6
143.08527	2.1
145.06502	0.7
146.03409	0.6
146.07263	3.7
147.03386	0.8
147.04408	7.5
149.02289	0.5
149.05933	0.6
151.03929	2.4
151.06453	0.7
151.07524	3.6
151.11189	5.5
152.07037	0.7
152.08128	1.2
161.02303	1.5
161.05986	6.9
161.09604	33.2
161.13205	3.6
162.05490	1.2
162.06662	0.8
162.08931	2.9
162.10283	1.0
164.04610	0.5
178.12334	0.5
179.03404	19.5
179.07086	19.2
179.09236	2.5
179.10629	21.2
179.13188	0.5
179.14238	4.0
180.03650	0.7
180.06406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1227
Annotation	4-(Diethylamino)benzaldehyde
Peak:m/z	Relative Intensity
55.05497	0.3
65.03954	0.2
67.05492	0.4
70.77728	0.3
70.78054	0.4
79.05482	0.3
80.05017	0.3
81.03403	0.3
90.04227	0.2
91.05477	0.7
92.04984	0.6
93.05753	0.3
93.07040	0.7
94.06583	0.2
95.04941	0.3
95.06138	0.2
105.03384	2.5
105.07021	0.8
106.06568	0.5
107.08575	0.5
115.05465	0.4
117.07024	1.4
118.03714	0.6
118.06537	8.0
119.04961	0.4
119.07330	7.7
119.08596	0.5
132.08090	0.8
133.10075	0.3
134.09647	53.8
135.09999	1.8
135.19449	0.2
137.08224	0.3
141.55389	0.3
146.03200	0.9
147.04425	0.2
160.11220	0.8
162.09142	3.5
163.09921	0.9
167.28795	0.2
178.12263	100.0
179.03532	0.3
179.10806	0.4
179.12628	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	178.0498
Annotation	Isalexin
Peak:m/z	Relative Intensity
51.02381	0.6
53.03947	4.2
54.04730	3.2
55.01876	6.2
55.96115	0.4
64.64635	0.4
65.03939	0.8
66.04746	0.7
67.05504	3.7
68.02653	0.4
69.71393	2.9
71.01365	0.8
72.00897	0.5
72.95859	0.4
77.03923	2.1
78.04712	8.3
79.05495	12.4
81.03420	6.6
82.00560	3.7
82.04195	4.2
83.01356	1.1
84.02115	0.8
91.05489	0.9
94.06566	1.2
95.04973	7.4
97.69785	0.4
104.04969	2.5
105.03403	6.1
105.04529	1.8
105.05754	1.2
106.04180	12.2
106.06551	2.5
106.07204	0.4
107.04967	5.3
109.02878	1.8
121.02898	0.5
122.06026	0.5
122.06860	1.4
123.04456	0.9
125.05988	3.7
128.85674	0.5
132.04475	0.7
133.02881	1.2
133.05254	2.5
134.03644	22.0
134.05986	4.1
134.06886	0.9
135.04430	100.0
135.05505	5.4
136.04753	3.1
138.03094	3.2
144.17174	0.4
150.05489	1.0
151.03905	2.2
160.03957	5.1
161.04707	0.7
178.04889	17.7
178.08441	0.6
178.13388	1.2
178.15906	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0498
Annotation	Isalexin
Peak:m/z	Relative Intensity
53.03948	0.4
55.01874	0.1
55.05520	0.1
55.15428	0.1
57.07147	0.1
60.54593	0.1
64.08910	0.1
67.05508	0.2
69.03415	0.1
70.06608	0.2
70.79677	0.3
77.03940	0.3
79.05492	0.4
80.05817	0.1
81.03405	0.2
81.07062	0.4
83.76151	0.2
90.04256	0.6
91.05495	0.8
93.07034	0.4
94.06565	1.3
94.07182	0.1
94.07386	0.1
95.04976	0.8
95.08624	0.3
104.04996	6.5
105.03397	2.1
105.05309	0.2
105.07021	0.5
107.04904	0.1
107.08583	0.5
108.08882	0.2
109.06508	0.1
109.10165	0.2
110.07159	0.1
114.03415	0.2
117.03398	0.3
118.03719	0.7
119.04935	0.4
119.08588	0.3
121.06525	0.2
121.10141	0.2
122.06039	1.9
122.06869	0.2
122.10471	0.4
123.08067	0.2
132.04451	24.3
132.08090	0.6
133.02831	0.2
133.04826	0.6
133.06479	0.3
133.10114	0.7
134.06013	0.3
135.04373	0.3
136.04793	0.1
136.08592	0.1
137.05974	0.8
137.08218	0.4
146.03152	0.8
147.04424	0.5
149.04768	0.1
150.06329	0.4
151.04007	0.2
152.54700	0.1
160.03951	0.9
160.07574	0.8
161.09657	0.2
164.04208	0.1
178.04991	100.0
178.16710	0.3
179.03593	0.3
179.05322	2.9
179.06975	0.9
179.10681	0.6
179.14336	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	178.0499
Annotation	Isalexin
Peak:m/z	Relative Intensity
53.03933	0.2
55.01867	0.4
55.05495	0.3
56.05023	0.5
56.30269	0.2
56.96564	1.0
57.03418	0.2
58.06602	0.2
59.23923	0.2
59.93100	0.2
60.04506	0.2
60.99170	0.2
61.06569	0.2
65.03937	0.3
67.05500	0.5
68.05022	0.3
68.99786	2.7
69.03431	0.2
69.04556	0.2
70.06583	0.8
70.33320	0.7
71.37753	0.2
72.04507	0.3
72.08135	0.5
76.02222	0.3
77.03944	0.3
77.94127	0.2
79.05478	0.7
80.05009	0.4
81.03407	0.3
81.04524	0.4
81.07070	0.3
83.06093	0.4
84.04482	0.3
84.08135	0.8
85.02915	0.2
87.59368	0.2
88.02215	0.4
89.03922	0.5
90.04243	0.8
91.05463	0.6
92.04999	0.5
93.03379	0.3
93.07036	0.4
94.06566	0.3
95.04960	0.8
95.06081	0.6
96.04455	0.3
96.05565	0.3
97.02861	0.2
98.97543	0.2
98.98487	0.2
104.04973	0.6
105.03377	1.5
105.07027	0.8
106.06517	0.2
106.93166	0.2
107.04986	0.3
107.08566	0.3
108.04451	0.7
108.08131	0.3
109.06495	0.3
110.05293	0.4
110.06039	7.8
110.07149	1.0
111.04418	0.5
116.10722	2.4
117.03372	0.5
117.05670	0.2
118.03712	1.5
118.96760	1.6
119.04905	0.5
121.02862	0.6
122.06024	0.4
122.07086	0.2
130.60895	0.2
132.04451	9.9
132.08099	1.2
132.08884	0.2
133.04837	0.3
133.06490	0.4
133.08437	0.3
133.10118	0.6
133.99063	0.3
134.05994	0.4
134.06990	0.2
136.02333	0.2
136.03922	3.2
136.04846	0.2
136.07574	0.5
136.08594	0.3
137.05998	0.3
137.08197	0.8
138.09059	0.2
145.02803	0.3
146.03174	2.1
147.04391	0.6
150.05467	0.8
150.06352	0.6
151.09756	0.4
154.96440	0.9
160.03963	0.7
160.07520	0.3
161.05911	0.3
161.07996	1.9
162.09131	1.0
172.97473	0.2
174.00768	0.3
177.04234	0.2
177.98088	0.9
178.04988	100.0
178.10992	1.0
178.13271	0.5
179.03424	0.7
179.05307	3.1
179.06834	0.5
179.09274	0.4
179.10649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.56631	0.8
53.03954	1.1
55.05509	8.7
57.07067	1.0
57.32099	1.0
57.74887	0.9
62.44854	0.9
65.03947	1.0
66.46725	0.9
67.05494	4.4
69.06735	1.4
69.07072	22.9
70.34153	2.3
79.05147	0.9
79.05502	9.8
81.07054	10.5
83.08150	1.4
83.08619	16.8
89.03916	3.2
91.05479	8.4
93.07043	29.5
95.04964	1.6
95.08610	27.0
97.10134	2.3
98.98451	7.1
103.05428	1.3
105.03397	2.3
105.07035	9.2
107.08594	52.4
108.08969	1.1
109.06506	1.1
109.10158	11.4
117.03377	4.6
117.07073	1.6
119.08575	10.3
121.06523	4.6
121.10144	100.0
122.10501	2.4
131.08539	3.1
133.06509	1.3
133.10147	4.0
134.03586	1.2
135.04430	1.7
135.08047	2.0
135.11691	15.5
137.09601	5.5
144.56300	1.0
145.02817	4.1
149.02344	1.7
149.06004	2.1
149.09619	2.3
149.13234	6.9
159.08025	1.8
159.11699	2.4
161.09575	2.0
171.32991	0.9
177.05476	11.4
177.08997	1.2
177.12811	13.9
177.16382	51.5
178.08617	1.5
178.13428	8.4
178.16698	2.1
182.86935	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.01601	0.8
53.03957	1.9
55.01863	1.8
55.05511	13.8
57.03448	1.0
57.07074	2.4
63.02319	1.0
65.03948	2.0
67.05507	7.2
69.03431	1.3
69.07070	27.6
71.51770	1.1
77.03951	1.0
78.04699	5.4
79.05059	1.5
79.05493	16.5
81.03427	0.9
81.07063	20.1
83.08150	1.4
83.08617	16.5
89.03360	0.8
89.03920	21.6
91.05480	19.9
93.07047	44.2
95.04985	4.7
95.08605	39.0
97.10182	3.8
98.98477	5.9
103.05483	5.1
105.03387	2.6
105.07037	16.3
106.04179	14.4
107.04980	2.0
107.08595	73.5
108.08916	1.9
109.06501	3.1
109.10153	15.5
117.03381	31.6
117.07021	3.6
119.04919	1.2
119.08562	5.4
121.02888	1.8
121.06516	11.0
121.10146	100.0
122.10401	0.9
123.08099	1.1
123.11664	1.1
129.07014	1.5
131.04933	2.7
131.08540	5.7
133.06525	1.3
133.07526	0.9
133.10127	3.5
134.03625	8.1
135.04451	7.3
135.08037	2.2
135.10817	1.4
135.11690	21.0
145.02850	37.8
146.03320	1.2
147.04382	1.6
149.01300	0.8
149.02376	3.3
149.04802	1.4
149.05986	23.9
149.09659	3.0
149.13277	7.6
159.04446	1.3
159.08046	2.0
159.11676	6.4
160.07513	1.0
162.03123	2.7
163.03908	1.8
177.01958	1.1
177.04297	1.0
177.05481	25.1
177.06996	1.3
177.07553	1.6
177.08931	5.4
177.12790	12.3
177.16402	57.3
178.16759	1.6
186.05510	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	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03935	2.3
55.05511	10.6
57.07079	2.0
60.01226	1.0
67.05493	5.7
67.14874	1.0
69.07066	25.4
70.09992	4.9
72.97493	1.1
77.03928	1.2
78.04700	3.0
79.05492	16.5
81.07049	17.8
83.08624	16.4
89.03915	32.1
91.05476	13.1
93.07044	34.3
95.04967	2.4
95.08604	39.2
97.10152	3.6
98.98456	1.8
103.05432	3.3
105.03380	2.2
105.07038	8.8
106.04188	5.8
107.04988	1.3
107.08591	68.5
108.08920	1.5
109.06528	2.5
109.10150	11.8
117.03377	56.3
117.07053	2.3
118.03722	1.2
119.08568	3.8
121.06493	3.8
121.10140	100.0
122.10489	1.5
123.08053	1.5
131.04839	1.2
131.08542	3.0
133.06549	1.3
133.10123	2.4
134.03644	6.8
135.04442	7.0
135.11694	17.9
145.02846	66.7
146.03210	3.0
149.02444	1.2
149.05989	23.6
149.13246	7.4
149.18237	1.1
158.06030	1.3
159.11748	2.7
162.03096	3.8
163.03955	1.8
177.04314	0.9
177.05473	24.8
177.09033	2.9
177.12886	5.8
177.16386	53.5
178.16713	1.7
186.05505	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03947	7.5
53.40593	1.1
55.01876	6.3
55.05270	1.9
55.05511	25.5
56.96547	1.4
57.03434	10.6
57.07061	5.5
65.03918	2.9
67.05505	17.6
68.99769	1.8
69.03429	8.8
69.06159	1.1
69.07069	35.2
69.42547	9.7
69.42948	2.7
71.05003	8.9
77.03947	1.4
78.04713	6.4
79.05490	56.2
81.03420	1.6
81.07054	43.7
82.07390	2.5
83.04970	5.3
83.08624	10.4
87.28416	1.4
89.03920	17.3
91.05480	59.1
92.05769	1.7
93.07043	100.0
94.07362	2.4
95.04952	13.2
95.08614	22.2
97.06533	4.0
98.98460	10.4
103.05472	7.9
105.03397	7.7
105.04521	2.4
105.07034	39.8
106.04176	15.9
107.04957	12.6
107.08589	66.0
109.06532	14.0
109.10178	4.6
115.05433	6.7
116.06192	3.4
117.03381	20.4
117.07017	37.2
118.04186	1.4
119.06087	1.4
119.08575	23.2
121.06502	40.0
121.07379	2.3
121.10147	29.2
122.10461	2.1
123.08047	2.5
129.07019	9.1
130.07787	5.4
131.04921	3.1
131.08560	37.8
133.06500	7.1
133.10133	13.4
134.03622	5.1
134.10431	1.5
135.04407	6.7
135.08038	14.0
135.11734	12.1
144.09329	8.3
145.02840	24.9
147.11667	1.6
148.08858	1.8
149.02356	4.1
149.05962	18.8
149.09604	5.5
149.13257	16.4
157.10141	2.1
159.08066	1.8
159.11687	37.3
162.03123	3.1
163.03941	1.5
177.05470	40.0
177.09106	5.2
177.12747	58.0
177.16350	8.0
178.08592	1.9
178.13126	2.0
186.05606	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	1,3,8-Naphthalenertriol
Peak:m/z	Relative Intensity
50.21939	0.2
51.02378	0.3
51.53892	0.2
53.03955	1.1
55.01870	0.4
55.79713	0.2
65.03930	0.3
66.04717	0.3
67.05495	0.2
71.97778	0.2
77.03928	0.3
78.04716	1.1
79.05495	2.9
81.03374	0.2
81.07066	0.5
89.03907	1.0
90.04709	0.9
90.36148	0.2
91.05476	3.7
93.07027	1.3
95.04972	2.0
95.08619	0.5
98.98470	0.3
103.05476	4.0
105.03434	0.3
105.04498	0.5
105.07021	1.9
106.04166	1.5
107.08586	1.0
117.03372	1.7
117.07011	0.3
118.04173	6.4
118.05021	0.4
121.06507	43.7
121.10104	1.5
122.06805	1.6
131.04918	0.3
131.08604	0.4
133.06496	22.2
134.03635	1.9
134.06824	0.6
135.04413	0.5
135.11699	0.3
145.02824	1.8
149.02324	0.3
149.05989	4.4
149.13208	0.2
151.03909	0.2
159.11623	0.4
162.03125	2.3
177.05472	100.0
177.12714	0.9
177.16368	0.5
178.05847	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	177.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.7
53.03939	0.8
55.01859	0.6
55.05507	1.8
55.12748	0.4
58.74524	0.4
62.01608	0.6
62.55874	0.4
63.02386	1.3
65.03952	0.8
65.93953	0.4
67.05506	1.0
69.07069	2.6
69.98142	1.3
69.98537	0.9
70.07426	0.5
72.45551	0.4
78.04704	4.4
79.05489	4.5
81.03398	0.6
81.07055	3.4
82.07351	0.5
82.35384	0.5
83.08617	1.7
89.03918	45.3
90.04268	0.8
91.05478	7.9
93.03402	0.6
93.07040	6.5
95.04956	2.6
95.08609	5.2
98.98460	2.1
103.05470	4.1
105.03403	1.7
105.07034	4.4
106.04190	6.1
107.04965	1.1
107.08595	8.1
109.10139	1.8
117.03380	77.3
117.07017	1.4
118.03699	1.9
119.04922	1.3
119.08579	1.9
121.02905	0.6
121.06498	3.8
121.09329	0.5
121.10136	11.6
123.08146	0.7
124.05235	1.1
131.04913	1.5
131.06860	2.2
131.08551	3.0
133.06387	0.7
133.10133	1.7
134.03632	10.8
135.04416	11.2
135.08052	0.8
135.11674	3.0
144.09320	0.9
145.02844	100.0
146.03149	2.8
146.05962	0.5
149.02356	1.6
149.05980	27.5
149.09639	1.0
149.13274	0.9
150.06325	0.6
158.05998	2.2
159.04366	0.8
159.06378	1.0
159.08066	1.0
159.11743	2.7
160.07544	0.7
162.03133	3.0
163.03902	4.3
177.05470	35.9
177.08940	3.1
177.12714	5.5
177.16457	5.8
178.05008	2.1
186.05502	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	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.39870	0.3
53.00285	0.3
53.03949	0.7
55.01870	0.5
55.05511	0.8
61.89827	0.3
62.01591	0.3
63.02364	1.4
65.03956	0.7
67.05502	0.5
67.85966	0.3
69.03429	0.3
69.07062	1.3
70.09675	0.7
75.67834	0.3
77.03944	0.4
78.04709	4.7
79.05482	1.7
81.03436	0.4
81.07070	1.4
83.08633	0.8
89.03917	57.4
90.04236	1.5
91.05482	5.6
93.07053	3.0
95.04983	1.4
95.08618	2.0
98.61340	0.3
98.98494	0.5
99.06334	0.3
103.05483	2.4
105.03391	1.5
105.04527	0.3
105.07032	1.4
106.04211	4.4
107.04966	0.7
107.08592	3.5
109.06518	0.5
113.25387	0.3
117.03378	89.7
118.03651	1.9
119.04945	0.7
119.08579	0.4
121.02879	0.6
121.06489	2.2
121.10142	4.0
124.05203	1.6
129.04474	0.6
131.04929	0.9
131.08549	0.9
133.06438	0.3
133.10091	0.4
134.03639	12.3
135.04425	7.6
135.08116	0.4
135.11726	1.0
145.02846	100.0
146.03185	3.5
147.04387	0.5
149.05981	28.4
150.06383	0.6
158.06075	1.3
159.04388	0.3
159.11667	0.8
162.03117	2.3
163.03908	3.4
168.92902	0.3
175.66147	0.3
177.02045	0.9
177.05472	28.2
177.09029	0.8
177.12735	1.7
177.16417	1.8
178.05928	0.9
186.05502	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	177.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.2
51.02390	0.2
53.03944	2.1
55.01863	0.4
64.40350	0.1
65.03928	0.6
68.99771	0.2
69.07056	0.2
70.63757	0.1
70.84581	0.4
74.72627	0.1
77.03921	0.7
78.04703	0.2
79.05497	8.6
81.03420	0.3
81.07072	0.3
83.01347	0.3
83.08662	0.2
89.03925	0.9
91.05485	3.1
93.07056	1.1
95.04966	2.8
95.08607	0.4
96.51096	0.1
98.98482	0.6
103.05466	1.8
105.03380	0.2
105.04518	0.8
105.07030	0.4
106.04122	0.1
107.04960	4.6
107.08607	0.7
108.05253	0.2
109.02899	0.3
117.03354	0.7
119.08562	0.1
121.02819	0.2
121.06510	2.9
121.10155	0.5
131.04933	0.6
131.08603	0.2
133.06509	0.3
134.03615	0.2
135.04416	100.0
136.04756	2.7
145.02846	0.5
147.04384	0.2
149.05984	17.8
150.06322	0.5
154.33452	0.1
159.08118	0.2
159.11642	0.3
176.07002	0.2
177.05484	10.4
177.09061	2.6
177.12688	0.7
177.16437	0.4
178.05853	0.3
198.47504	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	1,3,8-Naphthalenertriol
Peak:m/z	Relative Intensity
51.02376	0.3
53.03946	1.7
55.01871	0.5
55.66308	0.2
65.03940	0.9
67.05487	0.2
68.59285	0.1
70.67344	0.2
70.67661	0.3
71.98152	0.2
77.03908	0.9
79.05495	8.6
80.05836	0.2
81.03410	0.2
81.07063	0.6
84.93934	0.2
86.23255	0.2
89.03926	0.6
91.05489	3.6
93.07051	1.2
95.04971	3.1
95.08572	0.3
98.98472	0.5
103.05470	1.7
105.04515	0.8
105.07035	0.4
107.04960	4.7
107.08600	0.6
109.02891	0.3
117.03373	0.6
121.06509	2.8
121.10146	0.6
131.04951	0.6
131.08583	0.2
133.06474	0.2
135.04417	100.0
136.04765	2.8
141.99052	0.1
142.59897	0.2
145.02840	0.3
149.05983	17.5
150.06357	0.5
159.11673	0.3
176.07089	0.2
177.05479	9.0
177.09032	1.6
177.12764	0.4
177.16376	0.4
178.05840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03947	1.7
55.01875	1.8
55.05513	1.1
63.02373	1.0
65.03951	1.2
67.05505	2.3
69.03426	2.6
69.07069	2.1
71.04979	0.8
71.51488	0.5
72.08154	0.5
77.65843	0.6
78.04707	4.0
79.05492	4.7
81.04617	0.5
81.07059	4.7
83.04954	0.7
83.08629	0.7
84.38118	0.5
89.03921	47.5
90.04208	1.0
91.05484	11.7
92.05815	0.5
93.07045	11.7
95.01344	0.7
95.04951	3.6
95.06149	0.6
95.08620	3.6
97.06535	0.9
98.98469	5.2
103.05476	4.6
105.03393	1.6
105.07040	6.5
106.04192	6.0
107.04968	3.1
107.08600	10.5
109.02877	0.5
109.06507	1.9
109.10151	0.7
115.05458	0.6
116.06184	0.6
117.03381	78.5
117.07031	3.2
118.03717	1.5
119.04910	1.3
119.08576	5.9
120.08103	3.2
121.02808	0.8
121.06503	10.6
121.10166	8.4
124.05205	1.4
129.07013	1.4
131.04935	1.7
131.06906	0.8
131.08566	6.1
133.06496	1.7
133.10126	2.4
134.03635	11.1
134.05957	0.6
135.04442	9.6
135.06403	2.5
135.07990	2.8
135.11696	5.5
144.09331	1.7
145.02849	100.0
146.03160	2.8
146.05992	2.4
149.02342	1.5
149.05989	27.4
149.09608	1.7
149.13258	6.7
150.06412	1.0
158.05997	1.0
159.04414	0.6
159.08044	1.0
159.11694	9.8
162.03163	4.1
163.03926	4.4
177.05481	33.4
177.07402	14.9
177.09093	3.9
177.11259	1.1
177.12741	15.3
177.16418	3.4
178.04843	0.9
186.05544	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	177.0072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29156	0.5
52.46949	0.5
55.38801	0.5
56.81004	0.5
56.96563	20.8
57.21367	0.5
60.96696	0.7
69.99812	1.3
70.00223	1.8
71.95270	2.1
91.05428	0.6
93.07053	0.8
98.97581	100.0
99.97905	1.3
100.02480	0.9
107.08598	0.6
116.98618	91.7
117.98985	0.8
118.92085	0.7
119.01923	1.6
121.10119	0.6
124.50002	0.8
131.01909	4.2
133.50552	1.3
134.78758	0.7
134.99657	52.8
135.99994	0.6
136.92142	0.9
136.93112	2.2
140.00203	3.3
140.01201	0.5
141.96938	0.8
145.02905	0.7
152.49640	0.7
153.00706	7.2
154.03502	2.2
154.94205	3.4
158.01247	3.4
172.49414	0.6
172.94221	3.7
172.95276	4.2
177.00710	2.2
177.05551	0.7
190.95061	6.1
195.01749	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98655	0.6
56.96566	19.1
56.96851	1.0
57.03444	0.9
60.95857	0.6
69.03432	0.8
70.06594	1.0
71.04999	0.9
71.24375	0.6
71.95264	1.9
73.02927	1.3
78.04740	0.8
78.94062	0.5
79.05463	0.7
81.03402	0.8
81.07049	0.6
84.08123	0.6
84.96044	0.7
85.02889	0.8
89.03912	6.8
91.05466	1.0
93.07053	1.0
94.62991	0.6
95.04980	0.5
97.02889	1.0
98.97588	100.0
99.97923	0.9
107.04938	1.6
107.08580	0.6
109.02872	1.5
110.03622	1.6
110.97592	1.6
116.98622	73.1
117.03389	9.1
117.98970	1.0
119.01842	0.8
128.98605	2.0
131.01917	2.3
132.08080	0.6
134.03621	1.2
134.99657	38.0
135.04396	1.6
136.06163	1.1
140.00174	2.4
143.00221	0.9
145.02832	11.8
146.99678	0.9
147.04381	0.7
149.01239	0.8
149.06012	3.6
153.00702	5.4
154.03523	1.4
158.01262	1.8
160.06190	1.7
160.07574	0.7
165.02946	0.6
172.95287	0.7
173.01225	1.0
176.02409	0.7
177.00693	1.9
177.05473	3.4
177.08850	1.3
195.01768	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.107
Annotation	4-Methoxymethyl-2-methylindole
Peak:m/z	Relative Intensity
51.02374	0.3
53.03938	1.3
55.05511	2.3
59.06122	0.2
60.04468	0.2
60.80832	0.2
70.06583	0.2
70.57858	0.5
71.06915	0.2
77.03912	0.4
79.05500	1.4
89.03917	1.9
91.05454	0.3
95.04967	2.2
98.06037	0.4
98.98478	0.2
105.03390	100.0
106.03704	1.5
116.97233	0.7
116.98643	0.3
117.03389	3.1
120.08129	0.2
121.02876	0.3
122.06023	2.6
130.06519	1.1
131.99484	0.3
134.03668	0.3
134.06017	5.3
145.02853	3.9
149.05983	1.4
152.96945	0.3
158.06120	0.2
161.09457	0.2
176.07368	1.0
176.10699	28.2
177.05447	1.4
177.11069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90103	0.2
53.03916	0.2
53.87792	0.1
55.05510	0.3
65.03948	0.4
66.74809	0.1
68.99799	1.0
69.07060	0.4
70.07370	0.2
71.53568	0.2
78.04687	0.3
79.05489	1.1
79.97853	0.2
81.07044	0.5
85.46743	0.2
89.03918	2.6
91.05482	2.7
92.05822	1.7
93.05766	0.7
93.07035	0.7
95.04953	0.4
95.08607	0.4
98.98444	0.7
103.05457	0.6
105.03393	1.1
105.07021	0.7
105.66945	0.2
106.04184	0.7
106.06542	2.6
106.07335	0.6
107.04945	0.3
107.08596	0.8
108.08114	1.3
108.08745	0.2
109.06532	0.2
116.05006	1.1
117.03382	3.7
117.07017	0.3
118.06522	0.2
119.04938	0.3
119.08561	0.8
120.04513	0.3
120.05272	1.2
120.08111	0.3
120.08903	1.5
121.06507	0.7
121.10157	0.9
124.05244	0.2
130.04033	0.2
130.06531	1.4
130.07410	0.2
131.04939	0.3
131.08569	0.3
132.04445	0.3
133.06462	0.2
133.10104	0.4
134.03685	0.5
134.06012	20.6
134.10466	1.3
135.04404	0.9
135.06308	0.4
145.01768	0.3
145.02844	4.1
148.04762	0.5
148.07486	0.3
148.12056	0.3
149.02333	0.4
149.05989	1.7
158.05956	0.2
159.07999	0.2
159.11642	0.5
161.04713	0.7
162.03120	0.4
162.05502	0.2
176.07065	100.0
176.15202	1.7
177.04135	0.3
177.05476	2.5
177.07391	3.8
177.09074	0.5
177.12704	0.6
177.16371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0706
Annotation	4-methoxy-1H-indole-3-carbaldehyde 
Peak:m/z	Relative Intensity
54.31482	0.1
55.05498	0.2
56.05847	0.1
56.65876	0.1
58.34814	0.1
64.04807	0.1
68.99788	0.2
69.07056	0.4
69.46588	1.1
70.07387	0.3
79.05456	0.1
80.50603	0.1
81.07031	0.2
89.03928	0.7
91.04220	0.2
91.05457	0.5
92.05795	0.6
93.05796	0.2
93.06998	0.2
95.08600	0.1
96.08942	0.2
103.05475	0.9
105.03377	0.2
105.07011	0.3
106.04144	0.2
106.06546	0.2
106.07336	0.5
107.08613	0.3
115.04181	0.3
116.04987	1.1
117.03374	0.5
117.75280	0.1
119.08575	1.0
120.04453	0.2
120.05225	0.3
120.08106	0.2
120.08892	2.1
121.06487	0.3
121.10207	0.2
128.04927	0.3
130.02895	1.6
130.03877	0.2
130.06519	1.1
131.04958	0.2
133.05199	0.4
133.10124	0.7
134.05946	0.2
134.10446	1.8
143.03658	8.0
144.04488	0.9
145.02814	0.7
146.10437	0.3
148.04828	0.2
148.12021	0.4
149.05974	0.3
158.05962	0.4
160.03844	0.1
161.04697	1.6
161.12845	0.3
176.07056	100.0
176.15131	3.2
177.05533	0.5
177.07393	3.4
177.12770	0.2
194.61287	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	176.0705
Annotation	3-Indoleacetic acid
Peak:m/z	Relative Intensity
68.99786	1.1
69.83681	1.4
79.05473	0.6
89.03894	1.3
91.05484	1.1
92.05796	0.3
93.05761	0.6
93.07061	0.2
98.21654	0.2
105.03362	1.2
106.06544	2.7
108.08125	1.5
116.04214	0.2
116.04953	1.4
117.03361	2.3
130.06526	1.3
130.25266	0.2
132.04433	0.2
134.06009	22.9
135.06375	0.3
142.53316	0.2
145.02859	3.3
149.05968	0.6
150.09003	0.2
158.05981	0.3
158.99162	0.2
161.04732	0.8
162.05540	0.4
176.07063	100.0
177.05513	0.8
177.07410	3.6
184.81288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13568	0.4
55.01875	0.5
55.05518	2.5
60.05634	0.5
65.03942	4.7
67.05495	1.6
69.03418	0.4
69.07069	3.2
69.25364	2.2
69.25787	1.7
70.06596	1.1
79.05493	2.0
81.07054	6.2
83.08609	0.8
91.05480	56.1
92.05821	1.5
93.07035	3.0
94.63472	0.5
95.08613	4.5
98.03596	0.5
98.22342	0.4
98.98464	12.5
103.05469	1.4
105.03403	0.4
105.07033	22.3
106.07327	0.5
107.08575	3.3
115.04002	0.5
115.05439	0.7
117.07024	3.1
118.07815	0.6
119.04946	14.4
119.08581	44.2
120.05331	0.6
120.08941	1.4
121.02857	0.5
121.10084	0.6
129.06964	0.4
130.06628	0.5
131.04942	0.4
131.08571	3.7
132.09322	1.3
133.10129	100.0
134.10425	3.3
136.78545	0.4
142.07755	0.5
145.10129	1.6
146.10840	0.5
147.04410	39.9
147.11694	9.6
148.04794	1.5
148.11964	0.5
157.10147	1.1
160.12468	0.6
173.13298	0.9
175.03908	51.0
175.09712	0.8
175.11137	2.9
175.14821	35.3
176.04305	2.9
176.07076	2.0
176.11859	0.6
176.15219	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.7
53.03952	1.1
55.01873	0.6
55.05512	5.5
57.07070	0.5
59.55543	0.3
60.05658	0.6
65.03940	5.5
67.05511	2.5
68.26402	0.4
69.07068	11.4
69.27077	3.7
69.27412	0.5
70.06606	0.7
71.08636	0.5
76.03162	0.4
77.03929	1.1
79.05493	4.2
80.38402	0.4
81.07057	17.3
83.08607	2.1
89.03925	3.2
91.05482	54.9
92.05827	1.7
93.07050	6.4
95.04964	1.0
95.08610	11.4
98.03645	0.5
98.21490	0.6
98.98469	7.7
103.05461	1.4
104.02593	0.6
105.03394	0.5
105.07033	28.7
106.07359	0.6
107.08598	7.2
109.10192	0.5
115.05463	2.7
117.07029	3.2
118.04116	0.4
118.07843	0.6
119.04945	24.5
119.08582	65.4
120.05289	0.5
120.08900	1.2
121.06482	0.5
121.10138	2.3
122.03633	1.2
128.06218	0.8
129.03372	0.9
129.06998	2.3
129.11040	0.5
130.06557	1.0
131.04958	0.5
131.08559	5.4
132.02049	0.8
132.04485	0.6
132.05711	0.8
132.09349	0.5
133.02827	0.5
133.06488	1.2
133.10132	100.0
134.10442	2.8
135.04381	0.5
140.01184	0.4
142.07780	0.9
143.03697	1.5
143.04868	0.4
145.02884	0.6
145.06476	0.5
145.10129	4.7
146.07280	0.6
146.10898	1.3
147.04417	14.2
147.08015	2.2
147.11687	12.7
148.04753	0.6
150.03149	1.3
157.03969	1.9
157.10048	2.0
158.06003	1.1
159.11719	0.6
160.05219	2.5
160.08821	0.6
160.12503	2.3
161.04762	0.6
173.13316	1.2
175.03915	13.3
175.07527	5.2
175.11240	8.3
175.14827	68.2
175.18863	2.0
176.07072	23.6
176.15146	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	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53021	0.5
54.80550	0.4
55.05508	4.7
57.07074	0.5
57.66821	0.5
65.03940	1.9
67.05486	1.1
68.73166	0.5
69.07067	13.5
69.36546	1.2
69.36956	3.2
77.03924	0.6
78.28123	0.5
79.05502	2.5
81.07056	5.6
83.08617	2.6
83.50581	0.5
89.03938	2.3
91.05483	19.0
92.05783	0.7
93.07051	2.9
93.07553	0.4
95.08607	4.7
98.21518	0.9
98.98466	2.9
103.05483	1.1
105.07036	19.2
107.08606	3.6
108.19114	0.5
115.05459	0.8
116.04973	1.0
117.07003	2.2
119.04958	7.4
119.08582	63.1
121.10152	2.1
129.03360	0.5
129.04483	0.5
130.02893	1.1
130.06551	1.0
131.08536	3.5
133.10130	55.4
134.10484	1.7
143.03662	5.1
144.04375	0.5
144.09239	0.5
145.10132	4.9
146.10905	0.6
147.04420	6.2
147.08044	1.1
147.11676	9.9
157.03960	0.8
159.11690	1.0
160.05226	0.8
160.12448	2.4
161.04723	1.3
173.13295	1.1
175.03920	4.6
175.07539	1.6
175.11256	2.0
175.14830	70.5
176.07069	100.0
176.15173	3.0
176.51971	0.5
176.98225	0.6
178.32474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03943	1.1
55.05513	9.2
57.07073	1.6
61.35820	0.9
64.31118	0.9
65.03925	2.2
67.05509	4.8
69.07072	12.5
70.86605	1.8
70.86945	1.7
77.03915	0.9
79.05492	7.4
81.06589	2.0
81.07056	38.5
81.07533	1.9
83.08607	2.6
89.03886	1.5
91.05480	40.0
92.05807	1.2
93.07038	14.7
95.04904	1.1
95.08606	28.1
98.98453	3.7
103.05457	2.8
105.03399	1.5
105.07027	58.1
107.08602	14.6
108.08920	1.1
114.09004	1.1
115.05482	1.4
117.07008	5.3
119.04939	12.9
119.08580	100.0
120.08882	1.9
121.10152	3.2
130.06552	1.8
131.08549	7.9
132.09348	1.1
133.10129	98.5
134.10449	3.9
144.12825	1.1
145.10109	5.9
146.10883	2.9
147.04431	5.6
147.07982	1.9
147.11676	15.1
159.11778	1.2
160.12489	3.0
173.13268	2.0
175.03926	3.6
175.07562	2.0
175.11150	2.4
175.14825	91.1
176.07071	1.1
176.15176	3.2
190.25974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.6
53.03944	0.8
53.38120	0.6
55.05508	9.7
57.07072	1.2
62.75782	0.6
65.03930	1.9
65.62532	0.5
67.05499	2.6
69.07066	22.4
70.41871	1.8
70.42239	0.9
73.38140	0.6
79.05486	3.4
81.07059	6.4
83.08611	5.4
88.44259	0.6
89.03896	1.0
91.05476	23.7
92.05831	0.8
93.07029	4.3
95.08591	4.8
96.25935	0.8
98.98450	2.5
105.03412	0.6
105.06315	1.3
105.07026	25.6
107.08612	5.2
110.06912	0.6
117.07005	3.5
119.04927	8.6
119.08576	90.9
120.08921	2.6
121.10128	2.5
129.06996	0.8
131.08549	4.3
132.09306	0.8
133.10123	75.7
134.10468	2.3
135.11655	1.3
145.10123	6.4
147.04404	6.2
147.11678	12.6
158.10875	0.8
159.11627	0.6
160.05409	0.6
160.12485	3.6
173.13281	2.0
175.03897	5.6
175.07492	1.5
175.14815	100.0
176.15161	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
52.02821	0.3
55.05510	3.2
61.15783	0.3
64.91323	0.3
65.03942	2.8
67.05508	1.6
69.07066	4.2
70.06594	1.5
70.49141	1.3
78.22588	0.3
79.05486	2.1
81.07056	6.6
83.05000	0.4
83.08605	0.8
91.05479	34.4
92.05820	0.9
92.90083	0.7
93.07036	3.9
95.04980	0.4
95.08600	4.8
98.98468	12.0
103.05469	1.5
105.07028	25.0
106.07347	0.6
107.08595	4.1
111.04422	0.4
115.05459	0.7
116.07079	0.5
116.99549	0.5
117.07016	3.3
118.07809	0.7
119.04942	7.4
119.08579	43.1
120.08929	1.2
121.06488	0.5
121.10158	0.7
124.07070	0.3
129.07004	0.8
130.06487	0.6
130.14796	0.4
131.08582	3.9
132.09355	1.3
133.10126	100.0
134.10446	3.6
142.07759	0.7
145.10117	1.9
146.10847	0.8
147.04407	22.2
147.11684	10.1
147.12817	0.7
148.04709	0.8
151.93947	0.6
157.04303	0.4
157.10123	1.0
160.08891	0.4
160.12453	1.1
175.03906	27.7
175.07481	1.3
175.11224	3.7
175.14819	40.0
176.04266	1.8
176.07045	1.1
176.11847	0.6
176.15182	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.123
Annotation	N-Methyltryptamine
Peak:m/z	Relative Intensity
55.01873	1.1
55.05544	0.8
60.05659	0.4
64.90571	0.2
65.03951	1.3
67.05512	0.5
68.34883	0.2
69.03434	1.2
69.07110	0.5
70.06590	1.0
71.27096	0.4
72.08180	0.7
78.64429	0.2
79.05515	0.6
81.07085	0.7
83.05025	0.4
87.04531	0.2
89.03940	0.4
91.05483	11.4
92.47957	0.2
93.07072	0.8
95.04969	0.5
95.08631	0.4
95.09884	0.2
98.98466	6.2
103.05489	0.8
105.03438	0.3
105.07030	5.4
105.07685	0.3
106.07349	0.3
107.04971	0.2
107.08569	1.3
115.05438	1.2
116.06287	0.2
116.07063	0.3
117.05753	1.0
117.07023	4.7
118.06560	1.0
118.59990	0.2
119.04948	5.4
119.08580	11.1
121.06512	1.0
128.05002	0.3
128.06238	0.4
129.06970	1.0
130.06516	1.1
131.08562	1.1
132.04439	0.6
132.08093	20.8
132.95859	0.2
133.06496	2.3
133.08496	0.5
133.10120	5.3
135.08000	0.4
142.07797	1.7
143.07295	2.4
144.08084	100.0
145.06499	2.0
145.08408	2.3
145.10135	0.7
146.06020	0.6
146.07303	0.7
147.04420	3.0
147.06258	0.3
147.08037	1.8
147.11681	6.3
150.03101	0.3
155.06027	0.7
156.25639	0.2
157.10138	2.5
157.14244	0.2
158.05968	0.6
159.08026	0.3
160.05208	0.4
160.07584	0.4
160.08841	5.3
170.69603	0.2
175.03937	2.5
175.07487	1.8
175.09846	0.6
175.11163	17.6
175.14796	3.2
176.07047	0.6
176.11536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03947	0.9
55.01871	1.3
55.05511	4.2
57.03437	25.5
59.05007	0.7
60.05655	1.1
65.03944	3.0
66.66972	0.5
67.05505	12.7
68.95903	0.5
69.03435	1.7
69.07069	2.0
70.06596	2.0
70.58607	2.0
77.03916	1.0
79.05502	5.7
81.07070	4.1
81.07509	0.6
86.57578	0.5
87.04434	0.6
89.03913	0.8
90.84328	0.6
90.92288	0.5
91.05481	42.4
92.05820	1.0
93.07051	3.4
93.59995	0.5
95.04971	12.3
95.08600	2.0
97.02921	1.1
98.98470	20.5
103.05463	2.2
105.03438	0.6
105.07034	30.3
107.04308	0.8
107.04964	8.2
107.08582	2.5
115.05453	1.8
116.06207	1.4
116.07033	0.7
116.99485	0.6
117.07022	7.4
119.04942	9.4
119.08582	77.6
120.08909	1.4
121.06491	4.4
121.10100	0.7
128.06206	2.6
128.10709	0.6
129.06995	8.2
129.96111	0.6
130.06500	1.0
131.04951	4.3
131.08546	4.6
132.05746	2.7
132.09344	0.7
133.02875	0.6
133.06491	28.8
133.10123	17.4
135.08047	2.3
141.07025	1.2
142.07765	11.0
144.08055	0.9
145.02849	0.5
145.06473	9.3
145.10121	3.1
146.07262	34.7
147.04414	14.5
147.08047	70.8
147.11684	19.2
148.08386	1.9
148.11935	0.6
151.93750	0.7
155.06061	0.5
157.07622	1.9
157.10123	10.6
160.05191	1.1
160.08841	8.7
175.03908	16.4
175.07774	3.9
175.11180	100.0
175.14742	14.7
176.07031	1.7
176.11592	3.9
190.73863	0.6
193.79039	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.09698	0.5
51.02373	0.7
53.03937	0.6
55.01875	3.3
55.05515	2.7
60.05606	0.5
65.03929	3.1
67.05486	1.0
69.03432	5.0
69.07052	1.8
70.06587	1.4
70.86764	1.1
70.87106	0.8
72.08131	0.8
76.03162	0.5
77.03949	0.5
77.18515	0.5
79.05504	2.5
81.03412	0.6
81.07047	1.6
83.04987	1.0
89.03901	1.6
91.05480	30.6
92.05788	0.8
93.07023	2.1
95.04934	1.0
95.08595	1.2
98.98464	9.1
103.05450	2.2
105.03402	0.8
105.07033	27.7
106.07338	0.6
107.04934	1.0
107.08585	6.3
109.06513	0.6
115.05426	2.5
117.07014	7.0
118.06545	0.9
119.04948	13.8
119.08582	57.0
120.05329	0.7
121.06524	4.7
121.10137	1.0
128.06235	0.7
129.07011	3.1
130.06522	2.8
131.04921	1.4
131.08574	4.0
132.02110	0.6
132.05710	0.9
132.08105	13.4
132.09265	1.9
133.06499	10.6
133.10126	17.1
133.27328	0.6
134.07005	0.7
135.08025	2.9
141.07036	0.8
142.07787	10.9
143.07260	1.2
143.08272	0.5
144.08087	61.6
145.02866	0.7
145.06485	10.6
145.08400	1.8
145.10129	4.8
146.06157	0.8
146.07239	3.7
147.04413	5.9
147.06294	0.9
147.08049	6.8
147.11688	33.7
148.07494	0.6
148.12045	0.7
150.03064	0.6
157.03932	0.7
157.06564	0.7
157.10123	14.4
158.06033	1.0
158.07170	0.6
159.08073	2.2
160.08841	34.1
161.09187	0.8
173.09615	0.6
175.03946	4.5
175.07875	3.7
175.11182	100.0
175.14629	5.7
176.07043	1.2
176.11594	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	175.0867
Annotation	(Indol-3-yl)acetamide
Peak:m/z	Relative Intensity
50.01570	0.3
51.02373	0.6
51.97501	0.4
52.56555	0.4
53.03939	0.5
55.01859	1.0
55.05487	1.2
56.05009	0.5
56.96548	0.9
57.03416	1.0
57.93558	0.6
58.02945	0.9
59.06107	1.1
60.04510	0.8
60.05643	2.7
61.02898	0.4
63.23098	0.4
65.03910	0.9
67.05482	0.5
68.05017	0.7
69.03420	1.0
69.07064	0.7
70.06270	0.6
70.06594	7.9
70.95844	0.6
71.04943	0.4
71.06920	0.7
71.26542	0.5
71.26874	0.7
72.08128	1.7
72.93759	1.3
73.93819	0.4
74.06088	0.5
79.05481	0.5
80.05029	2.3
81.03384	0.5
81.07037	1.1
82.02953	3.0
82.05271	0.4
83.04965	0.5
83.06084	0.5
84.04510	0.8
84.08145	0.9
85.02898	0.8
87.04456	1.1
87.05588	0.5
90.94816	1.1
91.05476	7.3
92.90044	0.5
93.07034	1.1
94.06570	4.7
95.04941	0.9
95.08588	0.8
97.02901	2.2
98.03645	0.5
98.98466	22.2
99.05569	0.6
100.03976	0.6
103.05463	4.5
104.04974	2.2
105.03395	0.8
105.07027	6.1
106.06502	0.5
107.04939	0.5
107.08607	0.9
108.04454	2.4
111.04439	0.8
112.08705	0.5
115.03889	0.5
115.05441	2.0
116.06281	0.8
116.07090	2.5
116.97190	4.0
116.98568	0.5
116.99464	0.8
117.05694	0.5
117.07000	0.6
118.06528	2.8
119.04951	3.2
119.06837	0.5
119.08584	12.2
120.04432	0.5
120.08089	1.5
121.06508	1.4
127.04012	0.5
129.05540	0.6
129.07056	2.0
129.11078	1.0
130.06525	100.0
131.04932	5.5
131.06865	2.5
131.08546	1.3
131.99548	0.8
132.04451	66.6
132.95842	2.1
132.96716	0.4
133.05095	1.4
133.06316	1.9
133.07542	0.9
133.10123	4.6
133.95953	0.4
134.06017	2.3
134.06969	0.5
134.99638	0.9
135.08026	1.1
137.49501	0.4
140.04938	0.7
142.07761	2.2
145.06468	2.3
145.10120	1.0
146.06009	8.5
146.07111	0.7
147.04514	2.2
147.06383	3.2
147.08218	2.1
147.09172	2.2
147.11668	5.8
148.03928	0.6
148.07573	10.9
148.08711	0.9
148.96161	0.8
150.96896	4.3
150.97975	0.6
151.93718	0.4
151.97072	2.4
152.96910	1.1
156.06795	1.1
156.97687	0.8
157.07614	30.6
157.10106	2.6
158.06013	84.5
159.06375	2.7
160.05231	0.5
160.08835	4.9
161.04776	0.5
162.99133	0.4
174.07399	0.4
174.98694	0.8
175.03888	1.8
175.06036	2.0
175.08698	40.4
175.11070	17.4
175.14722	2.7
175.98550	1.7
176.03465	0.4
176.07109	3.9
176.09174	0.8
176.11835	0.8
191.80244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0868
Annotation	(Indol-3-yl)acetamide
Peak:m/z	Relative Intensity
55.01863	0.9
55.05502	1.1
56.05032	0.5
56.96559	11.7
57.03427	1.4
60.04505	1.5
60.05648	13.2
60.95833	0.5
61.02924	0.7
65.03931	0.5
66.30000	0.3
67.05501	1.3
69.03429	3.5
69.07063	1.4
69.68637	2.4
70.06590	42.2
70.98122	0.7
71.04985	1.3
71.06904	0.7
72.08154	4.4
72.93770	0.6
73.02914	1.8
73.06506	0.4
74.78278	0.3
74.97607	0.7
77.03929	0.4
79.05514	0.4
81.03406	1.0
82.02937	3.4
82.06541	0.4
83.04970	0.6
84.08138	3.1
84.96025	0.3
85.02902	3.9
85.06538	0.5
86.09699	1.7
87.04501	0.5
88.07628	0.3
89.00777	0.4
90.01535	0.7
90.94778	0.6
91.05476	3.5
92.05853	0.5
93.07077	0.4
94.06568	6.2
95.04972	1.3
96.01566	0.5
97.02895	3.3
97.07627	0.5
98.01275	0.7
98.96941	0.6
98.97583	10.9
98.98461	12.4
99.04414	0.7
101.00761	0.4
103.05445	2.4
104.03117	0.6
104.04980	4.0
105.07019	1.4
110.01233	0.6
110.97584	0.8
111.05576	0.5
111.10050	0.4
111.53627	1.4
112.07597	2.6
112.08747	1.9
113.05996	0.8
115.00733	0.7
115.05448	2.4
116.07087	11.3
116.97202	1.1
116.98620	8.5
119.01825	1.6
119.04925	1.0
119.08586	3.2
120.08109	1.6
120.98029	0.4
123.04390	0.4
127.03906	1.0
128.02315	2.4
128.98586	1.2
129.06987	0.4
129.10233	0.9
129.11072	0.8
130.06522	90.9
130.09756	5.7
131.00134	0.6
131.05025	0.4
131.06857	2.5
132.04445	87.0
132.95889	0.6
133.01616	0.5
133.03514	0.4
133.04797	3.0
133.06383	0.5
133.10138	1.8
134.99640	4.7
137.02829	0.8
138.54150	0.9
140.05016	0.8
142.07724	0.4
144.54184	0.6
145.01688	0.5
145.06490	0.5
146.05980	0.5
146.99666	1.0
147.04417	1.4
147.06407	0.5
147.08043	0.4
147.09172	0.9
147.11676	1.4
148.06261	0.4
148.07573	0.7
149.01251	0.5
150.96896	0.8
150.99139	0.5
151.97174	0.4
152.96898	0.6
153.00713	0.5
154.03841	0.9
156.03331	0.4
156.06798	1.1
156.97884	0.4
157.07608	35.2
158.06007	100.0
158.09259	3.3
158.99654	1.5
159.06383	3.0
160.08792	0.9
161.01134	0.6
161.04715	0.6
162.99071	0.6
163.02780	0.9
163.04272	0.6
164.02110	0.5
169.00243	0.5
174.04408	1.0
174.98859	0.4
175.03809	2.0
175.07391	1.5
175.08673	24.5
175.12021	8.6
175.14795	1.0
175.98563	0.7
176.02315	0.4
176.07007	1.1
176.09058	0.8
177.00734	1.7
177.04350	0.5
177.59285	0.4
183.47163	0.4
184.04939	0.6
186.04305	1.1
187.02824	1.0
189.00647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.039
Annotation	Lawsone
Peak:m/z	Relative Intensity
50.60378	0.4
51.02382	0.4
58.52738	0.4
65.03935	6.7
66.65934	0.4
69.43337	2.1
69.43764	1.0
72.67255	0.4
79.01842	0.5
81.07087	0.6
91.05481	71.9
92.05804	1.7
95.04984	0.6
98.98451	2.2
101.15993	0.4
103.05474	2.2
105.03429	0.4
105.07021	0.9
119.04943	23.9
119.08591	1.6
120.05307	0.5
121.02856	1.1
131.04922	0.8
133.10123	1.4
140.53728	0.4
147.04408	74.3
148.04710	1.9
175.03905	100.0
175.14838	1.4
176.04245	2.6
182.80121	0.4
191.22461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0389
Annotation	Lawsone
Peak:m/z	Relative Intensity
50.27018	0.5
55.05498	0.7
56.99837	0.5
57.35342	0.5
65.03940	6.3
66.03471	1.1
70.06579	0.8
70.12846	1.8
72.08126	0.6
73.58466	0.5
80.61954	0.7
81.07056	0.8
83.06100	1.5
85.28867	0.5
90.03408	0.5
91.05482	88.8
92.05821	1.6
93.04517	1.5
93.07049	0.7
95.08593	1.1
98.98470	16.5
103.05476	2.4
105.03403	0.7
105.07050	2.7
107.06068	1.0
107.08614	0.7
116.99511	0.5
117.06995	0.6
119.04947	29.8
119.08594	5.5
120.05267	0.9
121.02860	1.1
133.06447	0.6
133.10141	4.7
134.07123	3.3
135.06842	0.5
135.07924	2.9
142.07742	0.9
147.04411	88.8
147.11739	1.5
148.04782	2.5
148.08652	1.6
157.04324	1.1
175.03911	100.0
175.09779	4.3
175.11215	3.7
175.14859	3.5
176.04268	3.2
176.07050	1.2
176.11786	0.8
193.78319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0389
Annotation	Lawsone
Peak:m/z	Relative Intensity
65.03940	8.0
70.92171	0.9
71.40956	0.3
79.01858	0.7
91.05482	83.7
92.05832	1.5
98.98454	2.0
103.05470	2.3
105.07021	0.7
119.04944	26.2
119.08562	1.2
120.05222	0.7
121.02866	1.1
133.10132	1.6
140.43747	0.4
145.54875	0.4
146.10222	0.4
147.04413	77.4
148.04721	2.2
175.03911	100.0
175.11147	0.9
175.14824	1.4
176.04266	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	175.0389
Annotation	Lawsone
Peak:m/z	Relative Intensity
55.20644	0.4
64.51689	0.4
65.03934	6.7
69.76141	1.1
69.76537	1.4
82.60519	0.4
87.88250	0.5
91.05479	80.9
92.05797	2.4
98.20718	0.6
103.05489	2.2
119.04942	26.2
120.05276	0.8
121.02858	1.0
135.26582	0.5
146.29597	0.5
147.04408	73.7
148.04721	1.7
175.03905	100.0
176.04237	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	175.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65118	0.5
53.93229	0.4
61.37042	0.4
65.03938	6.4
69.25335	0.5
69.25549	1.7
69.25958	2.7
75.80977	0.5
80.93626	0.5
81.05056	0.5
91.05482	87.8
92.05831	1.4
95.93430	0.5
100.94019	0.4
103.05466	2.1
118.99577	0.5
119.04942	25.6
119.08564	0.5
121.02867	0.8
147.04408	78.2
148.04744	2.5
150.01628	0.5
175.03909	100.0
176.04205	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	175.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01613	0.4
56.14407	0.4
56.55461	0.3
65.03938	6.7
69.53828	1.8
73.02377	0.3
79.01851	0.7
79.19369	0.3
85.38749	0.3
91.05479	82.7
92.05806	1.9
94.57536	0.3
101.88350	0.3
103.05452	1.9
108.36041	0.3
109.56369	0.3
114.08312	0.3
119.04941	24.8
120.05274	0.8
121.02853	0.6
147.04407	74.7
148.04729	2.4
175.03905	100.0
176.04272	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	175.0389
Annotation	Lawsone
Peak:m/z	Relative Intensity
51.02384	0.4
55.98050	0.4
63.63472	0.4
65.03940	8.6
67.56753	0.3
69.68451	2.3
79.01872	0.8
86.33877	0.3
91.05483	90.7
92.05809	1.3
98.21481	0.7
100.90610	0.4
103.05453	1.7
119.04944	27.2
119.75936	0.4
120.05268	0.7
121.02882	1.0
132.05363	0.4
147.04411	78.6
148.04787	2.2
164.55739	0.3
175.03911	100.0
176.04282	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	175.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56770	0.2
54.90849	0.2
62.52125	0.2
62.78058	0.2
63.02375	0.6
65.03935	7.5
70.05066	1.1
76.94404	0.2
77.03923	0.2
79.01841	0.4
79.05487	0.3
81.07065	0.3
89.03915	1.8
91.05477	82.1
92.05814	1.6
93.87911	0.2
95.05000	0.2
98.20816	0.2
98.98464	1.5
99.26936	0.2
103.05457	1.5
105.07040	0.7
110.83111	0.2
119.04937	26.0
119.08546	1.1
120.05257	0.6
121.02873	0.7
129.07010	0.3
133.10143	0.4
145.02811	0.4
147.04402	77.7
148.04727	1.8
153.04741	0.3
160.01530	0.4
175.03897	100.0
176.04253	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	175.0389
Annotation	Lawsone
Peak:m/z	Relative Intensity
51.59578	0.3
55.01883	0.4
56.96571	0.4
63.02377	0.3
65.03609	0.6
65.03939	7.0
65.04282	0.4
70.06594	0.3
70.08189	1.5
71.95716	0.3
79.01855	0.3
79.05489	0.8
81.07027	0.5
85.61548	0.3
86.94051	0.3
91.05479	79.7
92.05820	1.6
98.98473	3.8
103.05457	2.8
105.07033	1.8
115.05396	0.7
117.05800	0.5
117.07008	3.2
118.04161	0.5
118.06544	0.5
119.04942	28.0
119.08578	13.0
120.01535	0.5
120.05244	0.8
121.02851	0.7
129.07001	0.7
131.04945	0.6
131.08580	0.6
132.08089	16.6
133.06519	0.4
133.10109	2.6
143.07324	1.2
144.08081	75.3
145.06502	0.5
146.07254	0.6
147.04407	75.4
147.11725	1.7
148.04724	1.9
153.03903	0.7
155.05965	0.4
157.10095	0.4
162.04404	1.5
171.04907	0.6
171.93755	0.3
175.03905	100.0
175.11073	3.0
175.14761	1.9
176.04239	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	175.0389
Annotation	Lawsone
Peak:m/z	Relative Intensity
50.41520	0.2
50.75387	0.2
51.02381	0.2
52.59053	0.2
55.05517	0.3
65.03940	7.5
69.07066	0.3
70.28152	0.6
70.28545	0.5
70.42454	0.3
71.56532	0.2
79.01868	0.5
81.03441	0.3
89.03909	0.4
89.86990	0.3
91.05482	88.5
92.05814	1.5
94.38882	0.2
95.08606	0.3
98.98486	1.4
98.99043	0.3
103.05466	2.4
105.07020	1.1
107.08602	0.3
119.04945	26.4
119.08586	2.0
120.05262	0.6
121.02880	0.7
121.37635	0.2
121.52502	0.2
131.04906	0.4
131.08554	0.3
133.10147	1.5
147.04411	76.7
147.11682	0.4
148.04713	1.7
175.03909	100.0
175.14838	2.3
176.04228	2.1
186.75793	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0389
Annotation	Lawsone
Peak:m/z	Relative Intensity
51.02389	0.6
53.93459	0.4
55.05506	0.9
60.04689	0.4
65.03938	10.4
66.13540	0.4
67.05518	0.4
69.07061	2.1
69.32526	3.2
70.97083	0.4
76.03130	0.4
77.03912	1.0
79.05484	1.0
81.07050	1.8
83.08618	0.7
89.03906	4.0
91.05479	100.0
92.05811	2.3
93.07040	0.7
95.04974	0.8
95.08601	1.4
98.20792	1.0
98.98470	3.7
103.05466	1.8
105.03378	0.5
105.07032	6.3
107.08599	1.2
107.57282	0.4
110.73135	0.4
115.05424	1.0
117.03391	0.5
117.06995	1.0
118.04137	0.9
119.04941	40.4
119.08575	12.3
120.05289	0.8
121.02861	0.9
122.03651	0.6
129.03349	1.4
129.04436	0.5
129.07027	1.0
131.08519	0.8
132.02092	0.6
133.10123	10.2
145.02882	1.0
145.10088	0.9
147.04407	69.2
147.11702	2.6
148.04745	1.8
150.03128	0.8
157.03955	2.4
157.10167	1.3
160.05200	0.5
160.08794	0.6
160.12492	0.7
173.13208	0.6
175.03905	84.0
175.07498	2.1
175.11118	4.2
175.14821	12.3
176.04239	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	175.0389
Annotation	Lawsone
Peak:m/z	Relative Intensity
51.02374	0.6
53.03952	0.8
55.01863	0.7
55.05516	3.7
57.07066	0.6
63.02370	0.5
65.03940	9.2
67.05508	2.2
69.07063	7.5
69.25293	5.0
70.06600	0.6
77.03909	1.1
79.01863	0.5
79.05494	3.8
81.03442	0.7
81.07056	11.0
83.08620	1.8
89.03925	1.8
91.05480	100.0
92.05808	1.4
93.07045	4.9
95.04967	1.0
95.08610	7.2
97.02866	0.6
98.21458	1.0
98.98463	8.6
103.05434	2.3
104.06259	1.4
105.03429	0.8
105.07030	24.0
107.04951	1.3
107.08597	5.3
108.19802	0.5
115.05467	2.3
117.06998	3.5
119.04941	33.8
119.08578	50.8
120.09367	0.5
121.02864	0.5
121.10130	1.5
128.06242	0.7
129.03397	0.7
129.07018	1.6
130.06537	0.7
131.04912	0.7
131.08554	4.0
132.02071	1.4
132.05711	0.8
133.06520	3.6
133.10127	49.0
133.26138	0.5
142.07771	1.4
143.04913	0.7
145.02780	0.8
145.10121	4.0
146.10918	1.1
147.04411	65.9
147.08032	3.2
147.11693	9.4
148.04753	1.2
157.03990	1.0
157.10167	2.1
160.05197	2.1
160.08824	1.5
160.12503	1.8
171.85394	0.5
173.13235	1.0
175.03906	79.0
175.07454	8.0
175.11234	8.7
175.14824	51.0
176.04280	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	175.039
Annotation	Lawsone
Peak:m/z	Relative Intensity
51.02386	0.9
53.00312	0.3
53.03952	0.4
55.01875	0.8
55.05507	1.3
60.05642	0.6
61.02916	0.4
63.02377	0.9
65.03940	13.7
67.05506	0.9
68.99782	0.5
69.03426	0.4
69.07067	1.7
69.25758	2.4
70.06590	1.7
72.08149	0.8
75.02368	0.6
76.03159	1.5
77.03919	2.8
79.01874	0.3
79.05495	1.3
81.03413	0.5
81.07058	2.0
83.04947	0.4
83.08624	0.4
87.04464	0.3
89.03914	10.3
91.05479	100.0
92.05820	2.1
93.07033	1.4
95.04948	1.9
95.08603	1.3
97.02901	0.9
98.21524	0.6
98.98465	12.6
101.03905	0.6
103.05467	1.4
104.02596	1.3
105.03407	2.0
105.07027	7.7
106.03725	0.4
106.06553	0.4
107.04965	0.7
107.08603	1.4
111.04456	0.4
115.03900	0.3
115.05450	1.2
116.07100	0.4
116.99493	0.4
117.03374	0.8
117.07008	1.5
118.04160	0.9
119.04938	50.7
119.08574	12.1
120.05246	1.5
120.08150	0.3
121.10150	0.3
122.03649	2.6
128.06186	0.4
129.03369	2.3
129.04486	1.1
129.06990	1.6
130.06496	1.5
131.04958	0.5
131.08549	2.1
132.02052	1.9
132.05769	0.3
132.08051	0.4
133.02834	0.9
133.06502	1.5
133.10123	9.8
134.05994	2.1
135.04427	1.1
135.07936	0.5
142.07788	1.4
143.04919	0.4
144.08072	1.1
145.02858	3.0
145.06497	0.6
145.10161	0.6
146.05919	0.3
147.04407	27.5
147.08018	2.1
147.11681	2.9
148.04753	1.0
148.07535	0.3
148.08652	0.4
150.03119	3.2
150.96895	0.4
157.03984	3.5
157.10095	2.1
158.06018	0.7
160.01567	0.4
160.05209	1.1
160.07504	0.3
160.08813	1.1
160.12439	0.4
175.03891	16.5
175.06050	0.7
175.07410	4.0
175.09567	1.3
175.11111	7.6
175.14818	9.0
176.07057	10.1
178.02568	0.5
185.78607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95760	0.3
55.01857	0.4
55.05514	0.8
61.02916	0.4
63.02363	0.5
65.03609	0.8
65.03938	9.4
65.04285	0.5
68.84360	0.4
69.07070	2.3
70.06596	0.8
77.03897	0.4
79.01834	0.7
79.05490	1.0
81.07053	2.0
81.98641	0.3
89.03908	1.7
91.05481	98.2
92.05821	1.6
93.07043	1.0
95.04966	0.5
95.08611	1.1
98.21547	0.6
98.98474	5.4
99.35511	0.4
101.03951	0.4
103.05471	2.6
105.03389	4.7
105.07037	4.5
107.08585	1.0
115.05467	1.1
117.06994	0.7
119.04942	35.8
119.08575	12.1
120.05272	0.9
121.02866	0.9
129.06996	0.8
131.04926	0.6
131.08572	0.8
132.02014	0.4
133.06526	0.5
133.10136	8.8
134.05940	0.5
143.04915	0.4
145.10172	0.8
147.04410	83.6
147.08057	1.0
147.11700	2.1
148.04724	1.9
150.03156	0.5
157.04033	0.8
157.10176	0.7
160.05200	1.0
160.08830	0.5
175.03908	100.0
175.07491	3.2
175.11147	3.0
175.14830	9.6
176.04277	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	174.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53187	0.4
52.62490	0.4
55.01858	0.8
55.05518	2.9
57.03428	0.9
57.07073	20.7
58.06598	3.9
62.06088	17.9
65.03928	3.2
67.05491	1.8
68.05028	0.5
69.07060	2.9
69.40652	1.3
69.41056	3.0
70.06580	1.7
71.08241	0.8
71.08630	16.7
72.93784	0.7
74.36248	0.6
77.03924	0.7
79.05485	1.8
81.07048	7.8
83.08604	0.7
84.04488	0.7
89.03936	2.8
90.04724	0.5
91.05479	33.4
93.07027	2.3
93.28898	0.5
95.04963	1.1
95.08602	3.5
96.04476	0.9
97.02883	1.1
98.98460	6.7
103.05418	0.8
105.03385	3.1
105.07027	11.1
107.08572	1.8
110.09671	0.7
114.05490	0.7
117.03432	0.5
117.07014	1.0
118.06509	1.5
118.07295	0.8
119.04944	15.8
119.08577	23.7
119.17382	0.5
122.03641	0.7
128.05011	0.6
128.06168	0.8
128.10703	3.9
129.06926	1.2
131.08609	2.9
132.02014	0.9
132.08006	0.7
132.08899	1.6
133.02797	0.7
133.06483	1.3
133.10127	23.7
142.07759	0.9
145.10074	1.6
146.05997	6.5
146.10556	1.0
147.04407	9.4
147.08032	1.1
147.11700	4.4
150.03119	1.0
150.96941	0.9
156.10181	1.6
156.17474	16.9
157.03964	1.1
157.10004	0.7
159.11249	1.7
160.05217	0.7
174.05472	4.4
174.09061	3.1
174.11302	0.8
174.13786	3.2
174.18530	100.0
175.03900	9.1
175.07573	1.9
175.11180	4.0
175.14822	23.8
175.18887	3.1
182.04755	0.5
184.59122	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1126
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
53.03946	0.4
55.01880	1.0
55.05502	1.0
56.05040	0.6
56.96564	12.0
57.03433	1.7
57.58118	0.3
58.06588	0.5
59.05003	4.1
59.38449	0.3
60.04528	3.2
60.05650	3.1
61.02932	0.7
67.05494	0.8
68.05025	1.0
68.78707	0.3
69.03423	3.1
69.07090	0.6
70.06593	48.3
70.47378	1.1
70.98129	0.6
71.04989	0.8
71.06927	0.4
72.04530	0.6
72.08146	2.2
72.93793	0.4
73.02930	2.9
74.97609	1.0
81.03429	1.1
81.07045	0.4
82.06602	0.3
83.00761	0.5
83.05000	0.5
83.97673	0.5
84.08144	3.2
84.96025	0.7
85.02905	3.5
85.06545	1.2
86.06052	0.5
86.09693	0.4
87.04450	0.4
88.99160	0.5
91.02339	0.4
93.62302	0.3
94.31302	0.4
96.01524	0.5
96.08180	0.6
97.02885	2.4
97.06522	0.5
98.01260	0.5
98.97581	9.6
98.98492	0.5
99.04447	0.7
100.99148	0.6
101.00883	0.5
105.03416	0.6
109.02921	0.6
110.01266	1.1
110.09679	27.5
110.97574	1.2
111.04497	0.4
111.10003	0.5
111.53628	0.7
112.07641	0.5
112.08783	0.4
112.99128	0.5
113.98668	1.1
114.05544	1.0
115.00687	0.5
115.07604	0.6
116.03049	0.4
116.07083	3.5
116.98637	4.4
119.01866	4.6
119.04947	0.3
121.01617	0.4
121.52078	0.4
128.02318	2.2
128.10713	100.0
128.98593	1.6
129.10197	0.4
129.11073	1.8
130.08644	1.4
130.09775	1.3
131.00136	1.2
131.99699	1.4
132.95805	0.6
133.01706	0.5
133.03474	0.8
134.99681	1.6
137.02888	1.1
140.98601	0.5
143.00208	0.8
145.01709	0.5
146.99667	0.9
149.01215	0.7
150.96892	1.1
150.99123	0.5
151.04530	0.6
154.03798	0.4
156.10199	30.4
157.10568	0.7
158.09251	0.5
158.99657	1.7
160.97600	0.4
161.01265	1.0
161.02950	0.8
162.01820	0.6
162.03572	0.8
163.02757	1.3
163.04401	1.9
173.01263	0.6
173.02837	0.4
174.11253	36.8
175.04498	1.0
175.11827	2.6
177.00711	2.0
178.98668	0.6
181.03973	0.5
185.02957	0.5
191.02332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1126
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
51.17363	0.4
53.03931	0.5
55.01877	3.1
55.05505	3.0
56.05032	1.4
56.96568	31.2
57.03439	5.9
57.07071	2.0
58.06589	0.8
58.99875	0.5
59.05004	5.0
60.04222	0.8
60.04529	14.2
60.05365	0.7
60.05650	8.0
60.95853	0.5
61.02931	2.1
62.01619	0.4
67.05507	3.2
68.05028	1.4
69.03436	7.6
69.07070	3.1
70.02958	0.4
70.06594	68.0
70.60532	1.1
70.95851	2.1
70.98121	0.8
71.01351	0.5
71.04988	1.7
71.95276	0.9
72.04520	3.1
72.08161	3.5
72.93797	2.2
72.96053	1.0
73.02914	5.0
74.06073	1.2
74.97598	2.5
77.00852	0.6
79.05502	1.6
80.51877	0.4
81.03419	2.5
81.07062	1.2
82.06579	1.8
83.00789	0.6
83.04993	1.3
83.50510	0.5
83.97622	1.0
84.04502	1.2
84.05302	0.4
84.08151	6.6
84.96040	1.8
85.02909	6.6
85.06547	10.7
85.08509	0.5
86.06055	1.4
86.09711	0.9
87.01897	0.4
87.04479	0.8
89.00789	0.9
90.05554	0.8
90.94835	1.4
91.00525	0.8
91.05486	1.6
93.07046	1.1
94.06548	0.7
95.01321	0.5
95.04972	0.9
95.52348	0.5
96.01515	0.6
96.04492	2.0
96.08138	1.3
97.02903	5.4
97.06523	4.4
97.96814	0.5
97.99136	0.5
98.01302	1.0
98.97586	13.1
98.98469	3.2
99.04460	1.1
100.02577	0.5
100.07609	1.0
100.99101	0.5
101.00900	2.8
102.05530	0.7
102.06270	0.4
103.00505	0.7
103.02428	1.4
103.03160	0.5
104.52886	1.8
105.00324	0.6
107.01841	0.4
107.02538	0.4
107.04955	0.5
107.08602	0.5
109.02871	1.1
110.01299	2.0
110.06039	1.2
110.09683	29.2
110.97578	1.7
111.00249	0.4
111.02090	0.5
111.02911	1.0
111.04445	1.1
111.53671	0.9
111.98470	2.1
112.04729	0.5
112.07598	1.6
112.08738	1.0
113.00870	0.7
113.02393	1.7
113.98638	2.4
114.05531	4.8
115.00726	0.6
115.02473	0.4
115.03928	0.9
115.07562	4.5
115.24349	0.4
116.07092	9.5
116.98627	9.4
117.02065	0.5
118.01056	0.6
118.03535	0.7
118.06583	0.6
119.01914	12.6
119.08601	0.6
120.02078	1.0
120.08090	0.4
121.01620	1.2
121.03447	0.6
121.06482	0.5
123.02911	0.6
124.99150	0.5
126.05565	0.5
127.01482	0.4
127.03937	0.9
127.07538	0.9
128.02322	2.0
128.03380	0.8
128.07092	3.0
128.10716	100.0
128.98631	2.1
129.01999	0.4
129.10263	0.8
129.11093	1.5
129.99509	1.4
130.03700	0.4
130.08751	2.8
130.09624	2.6
131.00198	1.0
131.01895	2.7
131.97461	0.5
131.99698	5.3
132.01976	0.6
132.05080	1.3
132.08099	0.7
132.95859	3.2
132.98059	0.9
133.01718	0.9
133.03471	2.5
134.00485	0.9
134.02342	0.4
134.99648	5.7
137.02940	4.0
138.09160	2.5
139.07552	1.4
140.00150	0.5
142.03491	2.5
142.96489	0.9
143.00095	0.9
143.01915	1.7
145.03447	1.8
146.03569	0.6
146.99614	2.2
147.11449	0.5
148.03822	0.5
149.01198	1.3
149.38570	0.5
150.00722	4.3
150.01784	0.6
150.06078	0.5
150.96907	8.8
150.99060	3.3
151.02676	0.5
151.04529	0.7
153.00694	0.7
155.01884	1.4
155.97424	1.6
156.05138	0.6
156.10205	32.9
157.03468	1.5
158.01250	0.8
158.09251	1.6
158.99590	2.3
160.04591	2.0
160.97572	1.5
161.01207	2.1
161.02945	2.8
162.03561	0.7
162.99113	0.9
163.02760	0.9
163.04433	1.0
165.00658	0.6
167.02074	0.5
168.01865	0.6
169.00186	1.6
169.03542	0.6
170.99681	0.7
172.02798	0.6
173.01338	0.6
173.02930	2.8
173.98502	2.2
174.03075	0.7
174.04440	0.5
174.06017	1.9
174.07672	1.7
174.11267	43.9
174.12657	2.2
174.99152	0.6
175.02663	1.0
175.04539	2.8
175.11983	5.5
177.00708	2.3
178.98619	1.3
179.02269	1.2
183.99199	0.5
185.02968	3.0
187.04536	0.5
190.03908	1.0
191.02260	0.8
192.07057	1.0
193.00230	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17363	0.4
53.03931	0.5
55.01877	3.1
55.05505	3.0
56.05032	1.4
56.96568	31.2
57.03439	5.9
57.07071	2.0
58.06589	0.8
58.99875	0.5
59.05004	5.0
60.04222	0.8
60.04529	14.2
60.05365	0.7
60.05650	8.0
60.95853	0.5
61.02931	2.1
62.01619	0.4
67.05507	3.2
68.05028	1.4
69.03436	7.6
69.07070	3.1
70.02958	0.4
70.06594	68.0
70.60532	1.1
70.95851	2.1
70.98121	0.8
71.01351	0.5
71.04988	1.7
71.95276	0.9
72.04520	3.1
72.08161	3.5
72.93797	2.2
72.96053	1.0
73.02914	5.0
74.06073	1.2
74.97598	2.5
77.00852	0.6
79.05502	1.6
80.51877	0.4
81.03419	2.5
81.07062	1.2
82.06579	1.8
83.00789	0.6
83.04993	1.3
83.50510	0.5
83.97622	1.0
84.04502	1.2
84.05302	0.4
84.08151	6.6
84.96040	1.8
85.02909	6.6
85.06547	10.7
85.08509	0.5
86.06055	1.4
86.09711	0.9
87.01897	0.4
87.04479	0.8
89.00789	0.9
90.05554	0.8
90.94835	1.4
91.00525	0.8
91.05486	1.6
93.07046	1.1
94.06548	0.7
95.01321	0.5
95.04972	0.9
95.52348	0.5
96.01515	0.6
96.04492	2.0
96.08138	1.3
97.02903	5.4
97.06523	4.4
97.96814	0.5
97.99136	0.5
98.01302	1.0
98.97586	13.1
98.98469	3.2
99.04460	1.1
100.02577	0.5
100.07609	1.0
100.99101	0.5
101.00900	2.8
102.05530	0.7
102.06270	0.4
103.00505	0.7
103.02428	1.4
103.03160	0.5
104.52886	1.8
105.00324	0.6
107.01841	0.4
107.02538	0.4
107.04955	0.5
107.08602	0.5
109.02871	1.1
110.01299	2.0
110.06039	1.2
110.09683	29.2
110.97578	1.7
111.00249	0.4
111.02090	0.5
111.02911	1.0
111.04445	1.1
111.53671	0.9
111.98470	2.1
112.04729	0.5
112.07598	1.6
112.08738	1.0
113.00870	0.7
113.02393	1.7
113.98638	2.4
114.05531	4.8
115.00726	0.6
115.02473	0.4
115.03928	0.9
115.07562	4.5
115.24349	0.4
116.07092	9.5
116.98627	9.4
117.02065	0.5
118.01056	0.6
118.03535	0.7
118.06583	0.6
119.01914	12.6
119.08601	0.6
120.02078	1.0
120.08090	0.4
121.01620	1.2
121.03447	0.6
121.06482	0.5
123.02911	0.6
124.99150	0.5
126.05565	0.5
127.01482	0.4
127.03937	0.9
127.07538	0.9
128.02322	2.0
128.03380	0.8
128.07092	3.0
128.10716	100.0
128.98631	2.1
129.01999	0.4
129.10263	0.8
129.11093	1.5
129.99509	1.4
130.03700	0.4
130.08751	2.8
130.09624	2.6
131.00198	1.0
131.01895	2.7
131.97461	0.5
131.99698	5.3
132.01976	0.6
132.05080	1.3
132.08099	0.7
132.95859	3.2
132.98059	0.9
133.01718	0.9
133.03471	2.5
134.00485	0.9
134.02342	0.4
134.99648	5.7
137.02940	4.0
138.09160	2.5
139.07552	1.4
140.00150	0.5
142.03491	2.5
142.96489	0.9
143.00095	0.9
143.01915	1.7
145.03447	1.8
146.03569	0.6
146.99614	2.2
147.11449	0.5
148.03822	0.5
149.01198	1.3
149.38570	0.5
150.00722	4.3
150.01784	0.6
150.06078	0.5
150.96907	8.8
150.99060	3.3
151.02676	0.5
151.04529	0.7
153.00694	0.7
155.01884	1.4
155.97424	1.6
156.05138	0.6
156.10205	32.9
157.03468	1.5
158.01250	0.8
158.09251	1.6
158.99590	2.3
160.04591	2.0
160.97572	1.5
161.01207	2.1
161.02945	2.8
162.03561	0.7
162.99113	0.9
163.02760	0.9
163.04433	1.0
165.00658	0.6
167.02074	0.5
168.01865	0.6
169.00186	1.6
169.03542	0.6
170.99681	0.7
172.02798	0.6
173.01338	0.6
173.02930	2.8
173.98502	2.2
174.03075	0.7
174.04440	0.5
174.06017	1.9
174.07672	1.7
174.11267	43.9
174.12657	2.2
174.99152	0.6
175.02663	1.0
175.04539	2.8
175.11983	5.5
177.00708	2.3
178.98619	1.3
179.02269	1.2
183.99199	0.5
185.02968	3.0
187.04536	0.5
190.03908	1.0
191.02260	0.8
192.07057	1.0
193.00230	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01889	1.6
55.05520	1.2
56.05062	0.6
56.96566	18.5
57.03446	2.3
59.05004	5.8
60.04530	9.6
60.05654	2.1
60.30598	0.5
61.02941	2.1
67.05500	1.0
68.05028	0.9
69.03428	13.3
69.07083	1.6
70.03753	0.5
70.06593	45.2
70.81937	0.7
70.82277	1.0
71.04997	0.7
71.06116	1.0
71.06922	0.8
72.08167	2.0
73.02922	4.4
74.97626	0.7
79.05477	0.8
81.03406	2.6
81.07063	0.5
82.06593	1.1
83.08638	0.7
84.08142	3.4
85.02914	6.2
85.06556	1.7
86.06083	0.8
87.04478	3.4
90.01546	1.2
95.00770	0.8
95.04977	0.6
96.08147	1.3
97.02888	7.3
97.06537	1.1
98.97589	11.2
98.98201	0.8
99.04441	0.7
101.00868	2.1
103.02441	1.4
104.01289	0.9
107.70128	0.6
109.02894	1.2
110.01308	2.8
110.09682	29.8
110.97592	2.2
111.02945	0.5
111.10044	0.7
111.53706	0.6
115.00710	3.6
115.07577	1.0
116.03015	0.5
116.07104	2.0
116.98620	5.4
118.02840	0.8
119.01865	10.3
121.03483	0.8
127.03956	1.1
128.02328	6.6
128.10715	100.0
128.98598	2.6
129.11060	1.4
130.08673	2.4
131.01883	1.2
133.01735	4.3
133.03456	3.0
134.99632	1.3
137.02892	2.6
138.09154	1.0
139.03307	1.2
142.03563	0.6
143.00140	2.7
145.03465	1.7
145.04994	1.0
146.99619	2.2
148.03876	1.5
149.06587	0.5
151.02780	0.6
151.04445	1.2
153.03072	1.5
156.03419	0.6
156.10202	29.5
157.03447	0.7
157.10497	0.9
157.25809	0.6
158.99666	3.8
161.01221	4.5
161.02925	1.3
162.03629	7.7
162.53764	0.7
163.02802	1.2
163.04341	1.1
170.99658	0.7
171.04095	3.4
173.02986	1.0
174.06125	0.7
174.11232	38.1
174.12325	2.5
175.04512	3.6
175.11749	2.0
177.00708	2.9
179.02257	2.4
185.03030	1.3
189.00761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.67490	0.7
53.03931	0.6
54.90945	0.6
55.05513	12.5
57.03428	0.6
57.07070	1.9
59.04998	2.6
67.05500	2.8
69.89054	2.1
69.89466	1.1
70.06573	0.9
71.04977	0.6
71.06110	1.4
73.02894	0.6
76.02222	1.7
77.81496	0.5
79.05497	3.7
81.07044	3.3
83.04983	12.7
87.04444	0.9
89.02361	0.8
89.03881	0.6
89.57085	0.5
90.94828	0.8
91.04899	1.0
91.05476	18.0
93.07036	3.5
95.04961	1.0
95.08607	2.1
96.16502	0.6
98.06036	0.7
98.21384	0.7
98.98476	0.8
99.04437	0.9
99.08126	0.7
101.06019	8.9
103.03292	4.1
105.03393	2.2
105.07030	11.2
107.08619	0.6
110.09680	0.6
111.04433	11.3
113.05975	1.1
115.05431	2.1
116.06236	2.3
117.07013	15.6
118.06561	1.6
119.08583	5.1
123.49751	0.7
127.07537	2.2
128.06206	0.6
128.10701	1.8
129.05493	7.0
129.06993	6.7
129.10228	1.2
130.07816	3.1
131.08565	100.0
132.08864	2.9
143.08574	3.8
144.09363	3.6
145.06493	1.2
145.07642	0.7
145.10123	20.5
146.06041	1.8
146.10474	0.6
155.05853	0.5
155.07028	10.1
155.08356	0.6
158.07301	1.6
158.10873	4.2
171.11745	1.2
171.70461	0.5
173.05862	1.4
173.08247	15.5
173.09779	1.6
173.13255	79.7
174.05547	0.9
174.09077	1.6
174.11354	0.9
174.13837	3.1
190.80426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.17650	0.4
55.05510	2.6
55.83983	0.4
56.96572	0.4
60.04503	0.4
67.05494	1.0
69.38889	1.6
69.39318	1.4
72.93797	0.5
77.15384	0.3
79.05482	1.1
81.07065	2.0
83.04983	3.0
87.05583	0.6
90.94825	0.4
91.05476	8.1
99.89562	0.4
101.06018	1.6
105.03412	0.4
105.07027	7.4
111.04439	2.7
115.05458	1.5
116.06232	2.1
117.07009	3.2
118.06593	0.4
119.08589	3.9
127.07589	0.4
128.06258	0.7
128.10736	0.8
129.05461	0.8
129.07007	5.3
130.07750	1.2
131.08562	100.0
132.08879	2.6
133.10146	0.7
143.08551	6.5
144.09341	4.6
145.06479	0.9
145.10124	13.2
146.05975	0.4
146.10493	0.4
155.07033	1.1
155.08578	0.4
156.09320	0.7
158.07304	0.4
158.10907	8.5
159.11244	0.6
171.11690	1.4
173.05959	0.9
173.08345	2.4
173.09813	1.1
173.13260	56.3
174.13617	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	173.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.05512	12.5
56.05852	0.6
56.96569	2.1
57.03435	0.7
59.05001	3.3
63.02369	7.3
65.03943	1.4
67.05507	0.9
68.05037	0.6
69.03439	1.0
69.84437	0.5
70.06595	1.2
70.26061	2.4
71.06120	0.6
72.93782	6.1
76.02227	2.1
76.78385	0.6
79.05489	2.5
81.07044	1.3
83.04980	16.6
86.06049	0.6
87.04459	1.1
89.03916	100.0
90.04240	2.9
90.90388	1.8
90.94817	5.4
91.05486	4.4
93.07088	0.7
95.54375	0.6
95.55354	0.5
96.04460	0.9
98.21431	0.8
101.06017	12.0
102.68599	0.6
103.03295	4.1
103.05486	1.2
105.03400	2.6
105.07030	6.0
107.04973	2.9
108.95864	2.6
110.09748	0.6
111.04443	14.4
113.05995	1.4
113.96414	1.9
115.03884	0.8
115.05476	4.1
117.03387	13.0
117.07027	7.7
118.06549	2.2
119.01306	1.1
119.08591	2.6
121.02888	0.7
127.07539	1.7
128.06229	2.2
128.10736	1.5
129.05487	8.7
129.06989	3.6
130.06529	1.9
130.07814	3.7
131.04848	0.7
131.08560	13.8
131.97403	0.8
132.04430	2.4
135.04408	1.3
135.05515	0.9
143.08557	3.3
144.05702	1.2
144.08073	1.8
144.09225	1.0
145.02849	62.1
145.03905	3.8
145.06514	5.1
145.07571	0.9
145.10117	9.3
146.03175	1.9
146.05977	6.2
149.94028	1.6
149.96109	1.5
153.06998	0.8
155.05995	1.1
155.07040	10.4
155.08553	11.0
158.06071	1.5
158.07277	6.4
158.10921	4.7
167.97166	1.8
170.05498	2.6
173.02345	57.1
173.05901	4.7
173.08289	19.2
173.09685	5.5
173.13242	21.1
174.02811	2.0
174.05510	2.6
174.07686	1.1
174.09096	2.0
174.12723	1.0
179.86324	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01873	1.1
55.05512	13.1
56.05017	1.8
56.96560	1.1
57.03423	2.0
57.07074	3.3
58.13318	0.6
59.04993	1.1
59.06113	1.1
60.04514	1.7
67.05507	5.2
69.03412	2.3
69.07066	25.8
70.02957	16.2
70.06590	2.4
70.07397	1.6
71.04981	1.4
71.06100	1.1
71.53336	1.1
72.04522	1.1
72.06828	0.7
72.08147	2.3
72.93793	7.6
73.02899	0.7
73.08469	0.7
74.06113	0.7
79.05473	0.8
81.07040	3.3
82.06597	1.4
82.07426	0.7
83.04979	14.6
84.04517	1.4
84.05347	0.6
84.08144	17.3
85.02906	1.0
85.06535	2.7
86.09705	100.0
87.00835	13.5
87.04457	0.9
87.10029	2.0
89.02409	1.4
90.94839	5.2
91.05472	2.9
93.07052	1.5
94.06567	2.0
94.07394	0.8
95.04949	1.0
95.08607	3.3
96.44775	0.7
98.02419	6.0
98.06064	1.1
101.06008	7.1
101.07088	0.9
103.03329	1.1
104.03465	25.6
105.01848	1.2
105.07033	3.0
108.08173	0.8
108.08923	1.2
108.95869	3.2
109.06554	0.8
109.10165	2.1
110.06062	1.2
110.10448	1.1
111.04446	10.5
112.03964	44.1
112.07597	13.5
113.06011	1.6
113.07185	1.2
113.96421	1.3
115.05448	2.7
116.03458	22.1
116.04813	0.9
117.05743	0.8
117.07027	3.7
118.06568	1.2
119.08584	2.4
126.09162	4.6
127.07583	1.9
128.07155	0.7
128.10652	0.8
129.05501	5.6
129.06989	2.7
130.06534	2.3
130.07779	1.6
130.08688	1.3
131.08560	25.3
131.97406	1.0
132.08090	6.6
132.62469	0.7
136.12021	0.8
137.09506	0.9
138.03363	0.6
142.72316	0.7
143.08571	2.8
144.08089	4.1
144.09134	1.2
145.06509	2.7
145.07571	0.9
145.10120	5.9
148.97551	1.2
149.96111	2.1
154.08636	3.1
154.12276	1.2
155.07051	8.3
155.08328	1.3
157.09813	0.9
158.07285	1.0
158.08443	1.1
158.10954	3.7
167.97137	3.4
171.09186	1.5
172.03954	0.9
172.06012	2.1
172.07564	3.3
172.09779	13.3
172.11183	2.1
172.17010	2.3
173.06006	2.1
173.08189	10.8
173.09592	1.6
173.10896	6.5
173.13231	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	172.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98639	1.0
55.05505	2.7
56.96565	41.6
57.07071	1.7
58.99880	0.6
60.95853	0.7
65.43158	0.7
69.03451	0.8
69.07079	1.1
69.48935	5.1
71.95265	5.1
72.04523	0.9
72.93782	2.1
73.06551	1.1
81.07046	0.9
83.04977	2.1
90.94794	1.2
97.99171	0.8
98.97583	92.7
100.02483	2.8
101.00887	1.8
101.06028	1.9
105.02187	1.0
111.04441	1.8
112.05109	1.1
112.99119	1.2
113.98630	0.9
116.00201	1.2
116.98619	100.0
117.98946	1.0
118.03530	2.0
119.01156	1.1
119.01927	12.5
119.03492	0.7
120.01984	1.2
121.01649	1.6
123.03284	0.6
124.97581	3.1
125.47610	1.7
125.97426	1.7
127.47871	0.9
127.97945	0.7
129.05487	0.8
130.00993	0.9
130.03511	0.8
130.51373	0.9
131.00197	4.5
131.01839	1.8
131.96140	1.2
131.99722	2.6
132.05060	1.4
133.01709	0.7
133.98102	4.1
134.48125	2.9
134.96199	1.4
134.97957	5.0
134.99657	78.5
136.00024	1.3
136.48363	2.2
136.98444	1.2
137.02951	5.0
137.48216	4.0
137.49980	1.2
137.59714	1.1
138.00090	0.7
140.00186	5.2
142.03539	4.3
142.96785	0.9
143.48637	0.7
143.96625	4.4
143.98485	1.1
145.48904	9.0
145.98949	8.3
146.48746	8.2
146.60251	1.7
147.03185	0.9
147.05070	1.3
148.49355	0.7
148.59840	0.7
148.97383	0.8
149.01228	9.8
149.10483	6.9
149.60616	1.4
149.97200	1.8
150.00699	2.4
150.06087	0.9
152.97171	1.1
153.00706	14.8
154.03400	0.8
154.49426	2.4
154.99458	3.3
155.07036	1.0
155.47447	1.6
155.49269	2.8
155.99147	0.7
156.99689	1.2
157.99582	1.4
158.01266	6.8
158.11018	1.7
158.99615	1.0
159.03094	1.0
159.05020	1.2
160.04504	2.1
160.61273	1.2
167.02205	1.8
172.02841	1.3
172.04614	2.1
172.09709	0.9
172.11116	1.2
172.94269	1.7
173.06615	2.0
173.08165	1.6
177.00850	1.3
190.03839	4.2
190.05435	1.2
190.95392	3.9
191.07574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0652
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
53.03941	1.4
55.01867	5.1
55.05265	0.7
55.05508	8.4
56.05040	2.5
56.96556	3.2
57.03429	1.6
57.04553	0.5
57.07066	1.4
58.06591	0.6
58.99555	0.6
59.06121	1.0
65.03938	23.5
67.02975	0.6
67.05499	4.4
68.02659	0.7
68.96342	0.6
68.99437	0.8
68.99788	9.0
69.03441	2.8
69.07068	4.1
69.97026	0.9
69.97418	1.0
70.06599	5.4
70.94254	2.7
71.01368	0.7
71.04996	2.3
71.06913	1.2
72.04515	10.8
72.08158	5.7
72.93784	4.5
73.02931	0.8
75.04504	0.7
75.05600	1.0
79.01874	0.6
79.05494	2.3
80.05015	0.7
81.03415	4.6
81.07032	2.6
82.06569	1.2
83.01352	1.0
83.04980	12.2
83.06106	1.5
83.08610	3.8
84.04521	1.2
84.08123	2.4
85.02920	3.2
85.04005	0.8
85.06570	0.7
86.06078	0.8
86.09702	11.0
87.04469	1.3
87.05613	0.6
88.95313	2.0
89.07156	8.3
89.96427	0.6
90.94810	1.5
91.05486	0.7
93.03400	4.8
93.07047	1.8
95.04965	2.3
95.08614	1.1
96.02120	1.3
96.04468	0.6
96.05621	0.7
96.08109	0.6
97.02892	2.0
97.04033	1.0
97.06499	1.3
98.06024	1.2
98.07185	0.7
98.09711	0.6
98.97617	0.6
99.04441	0.7
99.05601	0.6
100.04002	0.6
100.07608	1.5
101.04238	0.8
106.96304	0.6
107.04956	0.6
107.08592	2.0
108.08135	0.7
109.02830	0.7
109.06505	1.7
109.10140	1.0
109.98838	0.5
110.06050	1.1
110.07172	1.2
111.00806	0.8
111.04440	91.5
111.08031	2.7
111.09204	2.0
112.04704	2.3
112.07600	0.9
112.11217	0.7
113.05994	1.0
113.07143	0.5
113.96432	0.8
114.06673	0.9
114.09168	0.6
115.05515	0.9
115.07516	0.5
116.98635	1.0
120.11478	0.4
121.02894	1.9
121.03988	7.3
121.06525	0.5
122.06020	0.5
124.07609	0.5
125.06010	1.3
125.07140	1.6
125.07937	0.7
125.09645	1.1
125.11563	2.2
125.96101	0.6
126.05494	1.3
126.06510	0.5
126.09161	1.8
126.10204	0.6
127.03926	0.5
128.06230	3.6
129.06894	0.6
129.97862	0.5
130.96332	0.7
131.97502	0.6
134.99648	1.0
135.11723	0.6
138.54181	0.9
139.00259	1.9
139.03900	100.0
140.04309	1.7
141.06998	1.3
142.07780	0.5
143.03426	0.5
143.05920	0.6
143.08560	2.2
143.11763	1.3
146.99634	0.6
147.54701	1.1
147.96910	6.8
148.97404	2.1
153.05461	0.9
153.09114	0.9
153.12694	0.5
153.97922	0.5
154.08598	3.5
154.12314	0.6
156.03839	0.5
156.09325	2.1
157.01302	3.5
165.97975	6.4
170.98534	0.9
171.02901	2.1
171.04416	1.0
171.06505	5.2
171.07973	3.5
171.09956	0.7
171.11990	4.2
171.14922	5.7
171.98955	0.7
172.07436	0.7
172.09683	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0812
Annotation	ATF-606
Peak:m/z	Relative Intensity
50.26377	0.5
52.02755	0.4
53.03933	0.5
54.03456	0.7
55.01878	1.5
55.05514	3.3
55.93544	0.7
56.05035	7.1
56.05820	0.5
56.96571	6.1
57.03437	1.0
58.06587	1.0
60.04522	1.7
67.05511	1.5
68.05028	3.9
68.99821	0.6
69.03433	4.5
69.04571	1.1
69.05780	0.8
69.07059	1.7
69.20570	1.9
69.21005	3.7
70.02940	0.7
70.06593	80.5
71.04989	2.2
71.06096	0.6
71.06932	1.3
72.04517	1.2
72.08163	4.3
72.93812	1.3
73.02924	2.2
74.06084	0.6
78.19169	0.5
79.05496	9.9
80.05026	2.4
80.05817	0.8
81.03440	1.0
81.04562	0.6
81.05795	0.8
81.07063	2.0
82.02954	1.7
82.03763	0.6
82.06579	2.3
83.04974	1.6
83.06102	2.0
83.08624	0.6
84.04512	3.0
84.08135	2.8
85.02906	1.3
85.04028	0.7
86.06063	1.7
86.09711	2.3
87.04445	2.6
88.07619	0.6
88.96884	0.6
91.05492	1.1
92.05000	1.3
93.05775	2.7
94.06571	3.4
95.04992	1.0
95.06118	0.9
96.04498	1.7
96.08134	41.7
97.02889	1.3
97.05292	0.8
97.06529	1.0
97.07665	1.2
98.06078	1.1
98.97592	1.2
99.02745	0.6
99.05589	1.3
100.07611	1.1
106.06561	18.8
107.04969	1.1
107.08589	0.7
108.08115	5.2
109.02882	0.6
109.06516	0.7
109.07678	1.0
110.03213	1.6
110.06065	2.5
110.07173	2.0
110.97573	0.8
111.04454	3.1
111.05600	0.8
111.09204	1.4
112.04836	0.6
112.07635	0.6
113.10785	1.0
114.05541	3.7
114.09161	11.2
115.05450	0.8
116.98689	0.8
123.07989	0.5
124.07592	86.8
124.11187	3.8
125.05993	1.0
125.07116	0.8
125.08337	3.4
125.10756	0.9
126.05479	0.5
126.09145	0.7
127.04002	1.1
127.08727	0.9
128.06186	0.6
128.07069	1.5
128.95110	0.7
128.98607	1.8
131.97520	0.6
134.06023	2.2
134.99686	0.6
136.06227	0.6
139.00282	0.7
139.03908	1.9
141.10242	2.9
142.04926	0.7
142.05858	1.8
142.08636	33.8
142.12251	0.9
142.13341	0.9
143.11757	0.7
146.96149	1.4
146.97394	1.6
146.99673	1.9
147.05035	0.8
147.96913	1.5
152.07071	9.6
152.08139	0.5
153.01828	0.7
153.10091	1.1
155.03392	2.1
155.08012	1.2
157.01373	1.1
165.00627	0.7
165.97980	1.5
170.05731	3.0
170.08134	100.0
170.09543	7.4
170.11765	4.3
170.12881	3.4
171.02856	0.7
171.08434	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	170.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
55.93535	0.5
56.05022	0.5
58.06599	0.5
65.58876	0.5
68.99771	0.4
69.59376	0.4
70.06591	7.5
70.94263	0.4
71.04989	0.4
71.50789	0.9
72.04505	0.7
72.08141	0.9
72.93772	0.9
79.05479	1.0
80.04998	0.6
81.07049	1.7
82.06571	0.7
83.04961	0.6
83.06119	0.9
84.08124	0.5
86.06041	0.5
91.05493	0.4
92.05005	0.8
93.05761	1.0
94.06552	0.6
96.08142	1.2
97.06494	0.5
97.07613	0.5
100.07613	0.5
110.06060	1.0
111.04449	0.9
111.08049	0.4
111.09186	0.7
114.05474	0.5
115.05460	47.1
116.05000	0.5
116.05807	1.3
122.07137	0.5
124.07596	2.0
124.11243	6.2
127.03936	0.9
139.03932	0.5
142.06540	29.6
142.12286	0.8
143.06934	0.9
146.96188	0.9
146.97398	0.5
147.96906	1.4
152.07065	0.8
155.03395	0.8
160.07610	1.2
165.97977	0.7
170.06015	100.0
170.09526	2.2
170.11742	9.7
171.06569	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	168.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82192	0.2
53.00303	0.2
53.03939	1.0
55.01881	1.1
55.05512	1.4
56.05031	1.1
56.96564	14.7
57.03439	1.4
57.07064	0.3
58.06597	1.0
59.05007	0.2
59.06115	0.2
60.04525	0.2
60.95846	0.4
61.02911	0.9
65.03952	1.1
67.01835	0.2
67.05503	1.9
67.92503	2.4
68.05029	1.9
68.99795	0.4
69.03430	2.8
69.04538	0.3
69.07059	1.5
70.06590	3.9
71.04979	1.0
71.06094	0.3
71.52338	0.4
71.95249	0.4
72.04501	0.5
72.08134	0.8
73.02924	1.1
73.06538	0.6
74.97625	0.7
79.05477	1.1
79.05851	0.2
80.05016	1.9
81.03419	4.5
81.04506	0.6
81.07056	2.2
82.06589	1.4
82.94842	3.2
82.95301	0.4
83.04977	1.0
83.06104	0.8
83.07345	0.2
84.04501	1.5
84.08137	2.1
84.96027	1.1
85.02905	3.0
85.07647	0.4
85.30389	0.2
85.93531	0.4
86.06053	0.8
87.04445	0.3
90.01554	0.5
90.94812	0.2
91.05490	0.4
92.01259	0.2
92.05004	9.9
93.07036	0.4
94.02919	0.3
94.06570	2.6
94.07175	0.3
94.07368	0.3
95.00766	0.2
95.01323	0.7
95.04982	2.1
95.06067	1.0
95.08598	0.7
96.01540	0.4
96.04489	1.1
96.08130	2.3
97.02887	2.5
97.06557	1.2
97.07654	1.1
97.96769	0.3
97.99201	0.3
98.01305	0.4
98.03684	0.5
98.06071	1.8
98.09682	0.3
98.97578	3.2
99.04449	1.6
99.05548	0.4
99.08079	0.5
100.07643	0.2
100.95869	0.4
100.99163	0.3
102.61090	0.2
102.94824	0.3
102.96976	0.3
103.95654	0.2
104.04935	0.3
105.02065	0.4
105.03875	0.3
105.07025	0.4
106.06549	0.5
107.04936	0.7
107.06070	0.2
107.08615	0.3
108.04475	4.5
108.08128	0.4
108.08811	0.2
109.02160	0.3
109.02885	6.1
109.06494	0.5
109.07635	2.2
109.10134	0.4
110.01272	0.5
110.03638	0.8
110.06044	2.1
110.06749	0.2
110.07178	0.5
110.08426	0.2
110.09612	0.3
110.97560	0.4
111.00804	1.9
111.02034	0.2
111.04465	1.7
111.05576	0.4
111.06799	0.3
111.09182	0.8
112.03956	0.3
112.07610	1.7
112.99075	0.2
114.04333	0.2
114.05516	0.3
115.00704	0.2
116.07074	0.4
116.98612	2.9
119.00179	0.5
119.01830	1.2
119.05001	0.3
120.08054	0.3
120.26612	0.2
120.97958	0.2
121.01645	0.6
122.01196	0.2
122.06041	3.5
122.06882	0.5
122.08778	0.3
122.09674	0.4
123.04422	1.5
123.05502	0.4
123.08092	0.4
123.09180	1.0
123.11658	0.3
123.97446	2.2
124.03914	0.4
124.04744	0.5
124.07559	1.3
124.08452	0.3
125.02324	0.3
125.03195	0.2
125.04557	0.4
125.05969	0.6
125.07069	0.5
125.96282	0.3
126.03136	3.2
126.05488	1.9
126.06499	0.5
126.10260	0.5
126.12796	0.3
126.93776	1.1
127.00631	0.3
127.03938	1.7
127.04807	0.3
127.08669	0.7
128.02318	1.3
128.07054	0.6
128.09554	0.2
128.98610	0.8
130.08618	0.4
131.00208	0.3
132.04469	0.5
133.01694	0.4
133.07576	0.4
134.05997	0.3
134.99666	1.9
136.03905	1.8
137.02266	1.8
138.05458	0.2
138.10242	0.2
139.02702	0.4
139.06253	0.3
139.52985	0.2
140.02219	0.3
140.03343	0.4
140.05876	0.3
140.07062	2.3
141.05467	8.5
141.06488	0.3
141.10194	0.3
143.03761	0.4
143.97527	0.3
144.94786	1.1
144.95860	1.0
144.98062	0.6
145.01765	1.0
145.03473	0.5
146.99701	1.1
147.03201	0.7
149.01184	0.6
149.02815	0.2
150.05492	6.4
150.06648	0.5
150.09102	0.5
150.10208	0.5
150.12755	0.6
151.02644	0.4
151.03897	0.9
151.04939	0.4
151.06039	0.3
151.07504	0.5
151.08641	3.2
151.10519	0.3
152.07045	0.7
152.10625	0.3
154.04987	100.0
154.59026	0.3
155.05339	2.8
155.33385	0.2
156.03316	7.1
158.99654	0.8
159.03172	0.2
160.02829	0.2
161.01210	0.3
161.04843	1.0
162.95828	3.0
162.96941	0.4
162.99117	1.7
163.02805	3.2
163.04080	0.4
163.97652	0.5
167.55284	0.2
167.96407	0.6
168.03481	0.5
168.05257	0.8
168.06523	15.1
168.09911	1.1
168.11421	1.6
168.13797	2.8
169.03589	0.5
169.04938	3.1
169.09776	0.9
173.01180	0.3
173.04868	0.2
174.04388	20.8
175.04739	0.5
177.00742	1.2
177.04210	0.5
177.05905	0.4
180.96881	0.2
181.00174	0.5
181.03816	0.7
181.98624	0.2
185.97321	1.0
186.04381	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	167.0703
Annotation	4-Hydroxyhydratropate
Peak:m/z	Relative Intensity
51.02373	1.2
53.00302	0.6
53.03948	7.0
53.51004	0.5
54.44743	0.5
55.01868	6.1
55.05508	12.4
56.05027	1.9
57.03440	2.7
57.07078	1.2
59.04992	1.3
59.06120	1.5
65.03937	4.2
67.05504	21.7
68.05022	1.7
68.99792	5.1
69.03431	7.0
69.07069	3.8
69.68363	3.6
70.06591	37.1
71.01359	1.1
71.04992	22.7
72.08153	1.8
77.03950	1.9
78.04706	3.5
79.05492	18.1
80.05011	1.0
80.05827	0.7
81.03420	6.3
81.04529	1.0
81.07055	21.4
82.06580	2.2
83.01345	0.7
83.04979	14.9
83.06100	1.5
83.08604	2.6
84.08125	2.3
85.02910	2.3
85.06551	1.0
85.07639	1.2
91.05478	51.5
92.05792	1.2
93.03391	0.7
93.07040	100.0
94.04217	0.5
94.06573	1.6
94.07373	3.1
95.04964	45.4
95.08599	6.4
96.05264	1.0
97.02871	3.1
97.06530	7.2
97.07652	1.1
97.10132	0.7
98.06041	0.5
99.00845	0.6
99.04450	26.3
99.89046	0.5
103.05463	13.7
104.05787	0.8
105.03368	0.7
105.04510	3.9
105.07040	6.6
106.04185	1.7
107.04956	8.0
107.06116	0.7
107.08592	19.7
108.04472	1.2
109.02870	1.2
109.06516	7.1
109.07644	6.0
109.10149	2.5
110.07130	1.6
110.08423	3.3
110.99464	0.4
111.04439	7.8
111.08070	4.3
111.09203	1.9
112.07623	0.5
113.06011	0.6
119.04941	0.8
119.08636	0.6
120.08103	0.9
121.01685	2.0
121.02921	2.6
121.06502	80.5
121.08327	4.4
121.10130	10.8
122.06024	1.0
122.06985	2.9
122.09634	1.2
123.04429	20.4
123.08060	2.7
123.09043	0.9
123.11717	3.2
124.01606	1.3
124.05242	3.2
124.08713	1.4
125.06001	2.7
125.07187	0.6
125.08177	0.8
125.09618	2.2
126.06630	1.4
127.03928	1.0
127.07447	0.7
131.04912	2.3
131.08556	2.0
133.10161	1.2
135.04433	0.6
137.05949	0.7
137.09549	0.8
139.02803	0.7
139.03883	1.0
139.07552	3.7
139.11169	2.2
140.03415	0.5
140.07048	0.8
144.03229	0.9
149.02449	2.3
149.05975	55.1
149.09602	5.3
149.13188	1.1
150.06360	2.2
150.09175	0.8
150.10255	5.4
150.12778	1.2
151.03911	1.4
151.06064	0.5
151.11163	4.3
152.04695	2.4
162.04315	0.7
167.03400	10.3
167.07036	45.5
167.10657	6.3
167.12895	1.9
167.14311	2.6
168.06393	0.7
168.07559	0.8
168.10048	0.6
168.13835	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02366	0.3
53.03932	1.1
55.01863	0.7
55.05505	1.5
56.96553	0.4
57.03428	0.6
57.07062	0.3
59.06115	0.3
65.03932	1.2
66.04704	0.7
67.05500	1.9
68.05022	0.3
68.99763	0.3
69.03413	0.7
69.07066	2.2
69.72443	1.5
70.06571	0.6
70.62413	0.2
71.04981	1.0
73.06555	0.3
77.03898	0.5
78.04710	13.9
79.05087	0.5
79.05493	6.3
81.03425	1.1
81.07055	3.9
82.06548	0.4
83.04977	1.1
83.08608	0.5
85.02891	0.5
85.06528	0.9
91.05482	3.1
92.02611	0.3
92.05794	0.4
93.03374	0.6
93.07040	6.7
94.04177	0.9
95.04967	3.1
95.08613	2.5
96.04506	0.2
96.05773	1.1
97.02901	0.5
97.06516	1.0
98.03003	0.3
98.21427	0.3
99.04471	0.3
103.05442	0.2
105.03396	1.2
105.04494	0.4
105.07020	1.6
106.04174	5.7
107.04967	2.8
107.08592	8.6
108.08887	0.3
109.02888	1.9
109.06514	1.9
109.07635	1.2
109.10152	0.8
110.03652	0.3
110.07178	0.3
110.08445	0.4
111.04411	0.8
111.08087	1.1
111.09197	0.4
119.08566	0.3
120.02100	0.4
120.08081	0.4
121.01620	0.5
121.02873	0.6
121.06518	1.9
121.08440	2.4
121.10139	6.9
122.03688	1.2
122.07163	0.5
123.04425	25.6
123.08043	1.5
123.11719	1.3
124.05225	7.8
124.08671	0.6
125.05968	0.9
125.09625	0.8
131.08543	0.7
134.03648	1.4
135.04417	1.2
137.02342	0.6
137.05962	1.2
137.09631	0.3
138.03127	0.3
139.07527	0.8
139.11195	0.7
140.07054	0.3
149.02299	1.0
149.05969	0.5
149.07903	0.3
149.09634	2.1
149.13293	1.6
150.10234	0.9
151.02736	0.4
151.03896	5.0
152.04692	6.1
167.07033	100.0
167.10648	2.5
167.14171	1.2
168.04140	0.7
168.07394	2.7
168.11320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.05513	6.7
56.05045	2.0
56.96584	0.6
57.03449	0.9
60.32158	0.5
65.03938	0.8
66.04735	0.5
67.05510	3.3
68.05038	3.5
69.03432	34.1
69.07064	2.5
70.06595	17.2
70.77699	0.7
70.78036	1.2
71.04979	0.8
71.06931	0.6
72.00867	0.7
78.04721	1.0
79.05494	13.4
80.05024	1.4
81.07059	46.1
82.06602	1.0
82.07413	0.8
83.04980	0.7
83.08615	0.8
83.93042	2.3
84.04507	2.8
84.08146	2.1
84.95222	0.5
84.96029	0.7
85.34936	0.5
86.06071	37.5
87.06433	0.5
88.46803	0.5
91.05485	1.6
92.05012	0.6
92.41089	0.4
93.07050	2.0
94.06591	1.8
95.04962	1.6
96.04477	0.9
96.08135	24.8
97.08475	0.7
98.06057	100.0
98.09694	2.1
99.06391	2.1
102.02189	0.6
102.62457	0.5
103.05457	1.2
107.04959	1.2
107.08592	1.3
109.02867	0.5
110.09691	1.0
111.04455	1.0
112.06836	1.1
112.07608	20.5
119.01949	0.7
120.02074	0.9
120.07257	0.9
120.08109	14.0
120.08952	1.0
121.01754	0.6
121.02858	1.7
121.06571	0.8
121.10136	1.3
122.06120	0.6
123.04427	3.0
123.08041	1.0
124.07594	70.1
125.02522	0.6
125.07934	2.5
137.73293	0.5
138.03041	0.7
138.05531	1.3
138.09134	0.9
138.12807	0.9
142.96706	6.5
143.03629	1.5
148.04840	0.9
148.11191	1.6
149.02336	0.5
149.06006	0.6
149.09642	0.8
151.03908	0.6
162.18912	0.5
165.98259	0.7
166.04990	1.3
166.08591	2.0
166.12276	20.1
167.03389	1.1
167.07048	7.1
167.10675	0.8
167.12727	0.8
189.63892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	3.1
59.53150	0.3
69.95915	1.4
69.96260	0.3
94.06323	0.4
100.11251	6.5
102.00957	0.6
119.01932	0.6
120.01970	1.4
121.01645	0.5
122.06651	0.3
125.02533	0.3
137.03004	0.3
138.03067	0.5
138.08926	0.3
143.03613	1.2
144.03322	0.4
161.04816	0.4
166.08391	100.0
167.08746	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	166.0863
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
53.03929	0.1
60.80548	0.1
68.74129	0.1
70.33051	0.4
77.03905	0.1
79.05489	1.3
91.05468	0.7
93.07039	2.3
95.04985	0.3
103.05463	10.8
104.05790	0.4
107.04954	2.2
118.06526	0.1
120.08102	100.0
121.08440	3.2
131.04037	0.2
131.04932	2.4
132.05219	0.1
139.15811	0.1
149.05978	0.5
165.29639	0.1
166.08652	0.9
187.48917	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	166.0499
Annotation	SCHEMBL7262480
Peak:m/z	Relative Intensity
53.03951	0.6
53.18612	0.4
55.01876	0.6
55.05511	0.7
56.05035	0.6
56.96571	0.5
65.03937	4.2
66.04262	0.3
66.66354	0.3
67.05508	2.2
68.05029	0.9
68.99812	0.4
69.03439	0.5
70.06598	1.1
71.51290	0.4
72.00877	91.7
73.01211	0.6
74.01313	0.5
77.03950	0.3
78.04713	0.9
79.05497	1.4
79.96818	0.3
80.05002	0.8
81.04533	0.7
81.07047	0.8
82.06586	1.4
82.07398	0.5
83.04984	0.6
83.06111	1.2
83.93042	0.4
84.08130	1.5
90.01917	6.0
91.05482	1.6
92.05009	0.7
92.05806	1.9
92.77756	0.3
93.03374	0.6
93.07051	1.6
94.06578	0.9
94.07386	0.4
95.04965	7.2
95.06092	1.0
95.08601	0.6
96.04504	0.9
96.05296	1.3
97.02905	0.3
97.07651	0.9
103.05473	2.1
105.03389	0.6
105.07027	0.4
107.04961	0.7
107.06087	0.4
107.08652	0.5
108.04460	0.5
109.06536	0.7
109.07621	2.1
110.06035	1.1
110.08494	0.4
111.04456	3.2
111.08091	0.5
111.09210	0.6
119.01906	1.0
119.08607	0.3
120.01993	1.8
120.04469	3.8
120.05296	2.4
120.08109	19.2
121.02866	100.0
121.06498	1.2
121.07608	1.2
122.02402	0.6
122.03212	1.4
122.06046	0.5
122.07111	0.4
123.04417	2.7
123.09124	0.3
124.03950	0.7
124.04744	0.7
124.07632	0.6
124.08723	1.8
125.02346	0.4
125.07145	0.7
126.07850	0.4
131.04921	0.5
131.08542	0.6
133.02850	3.2
138.03024	1.4
138.05473	2.5
138.06419	0.6
138.09114	1.8
138.10060	0.5
139.08661	0.5
142.96704	3.2
143.03607	1.4
148.03911	8.8
148.04793	3.8
148.07564	0.7
148.08646	1.5
149.02341	0.9
149.04712	2.1
149.05933	0.7
149.07101	0.7
151.03903	1.8
152.04729	0.5
161.04790	0.5
166.04968	23.4
166.08511	3.1
166.09735	2.0
166.12151	0.7
166.13432	0.3
167.03339	0.9
167.05568	0.5
167.07018	8.7
167.10684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
58.70257	0.3
65.03931	2.5
67.05516	0.3
68.99782	0.5
69.55025	1.6
69.55433	0.6
72.00877	93.9
73.01200	0.5
78.04729	0.3
79.05477	0.3
81.07045	0.3
83.93036	1.2
84.96022	0.3
90.01914	4.4
92.04977	0.7
92.08315	0.3
93.03396	0.7
93.07085	0.4
95.04964	5.0
99.86414	0.3
102.02277	0.5
103.05448	0.4
105.03381	0.3
111.04453	2.2
114.44661	0.3
119.01929	0.6
119.95151	0.5
120.02010	1.0
120.03253	0.3
120.04459	1.3
120.05222	0.4
120.08097	3.4
121.02863	100.0
122.03203	2.2
123.04425	0.4
133.02859	3.1
138.03026	0.5
138.05493	0.9
140.84521	0.3
142.96674	3.3
143.03658	0.4
148.03899	5.8
149.04774	1.7
151.03899	1.4
161.04639	0.4
165.98300	0.6
166.04985	9.1
166.06303	0.5
166.08578	1.3
166.12198	0.7
167.05353	0.3
167.06987	1.0
167.10765	0.3
181.46596	0.3
183.98279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03948	1.3
53.77278	0.4
55.01875	1.4
55.05513	4.2
57.03436	3.0
57.07074	2.6
59.04990	0.5
65.03940	1.2
67.05503	9.6
67.22429	0.5
69.03435	2.3
69.07074	4.2
69.37695	1.6
69.38113	2.0
71.08641	0.9
76.88162	0.5
79.05493	6.1
81.03421	1.3
81.07052	17.3
83.04980	3.4
83.08619	2.0
91.05475	12.0
91.06020	0.7
93.07046	10.6
94.04182	0.8
95.04970	6.0
95.08606	13.0
95.09175	0.8
97.06544	1.7
98.20797	0.9
101.00861	0.6
103.05473	1.6
105.03394	0.9
105.06328	0.5
105.07029	11.1
107.04948	1.5
107.08588	11.3
109.06516	21.2
109.10156	11.1
110.07322	0.7
117.07014	0.9
119.01940	1.8
119.04941	4.4
119.08580	19.4
120.08118	1.6
120.08919	0.7
121.06508	2.3
121.10138	24.8
122.07293	7.3
122.10487	0.5
123.04420	1.5
123.08069	11.6
123.11726	4.7
135.08008	2.9
137.03011	0.7
137.05981	1.2
137.09613	100.0
137.13234	2.0
138.09949	2.8
142.03543	1.1
147.04393	8.5
147.08051	1.6
147.11694	7.0
148.08748	0.5
150.10387	5.7
165.01828	0.9
165.05518	3.1
165.07700	0.7
165.09117	4.9
165.12749	42.3
166.13086	1.4
171.80240	0.4
183.02907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.2
55.05499	0.5
57.03426	0.2
63.11608	0.2
65.03925	1.4
66.99145	0.2
67.05511	1.3
69.03423	0.6
69.07062	0.5
69.61529	1.3
72.00877	3.8
79.05484	1.0
81.03429	0.4
81.07066	1.6
83.04996	0.3
91.05479	29.3
92.05827	0.7
93.07041	1.1
95.04973	2.9
95.08602	1.5
96.14769	0.2
98.21555	0.2
103.05460	0.8
105.03405	0.4
105.07030	1.7
107.04945	0.3
107.08600	1.0
107.49712	0.2
109.02853	0.4
109.06517	1.3
109.10183	0.9
111.04456	0.2
117.06992	0.3
119.02022	1.0
119.04939	55.7
119.08565	1.9
120.05247	1.3
120.08130	1.1
121.02854	4.4
121.04156	0.3
121.06513	0.5
121.10160	0.9
122.07255	0.4
123.04454	2.7
123.08076	0.9
123.11722	0.6
133.02838	0.5
137.06012	1.1
137.09601	1.4
142.03488	0.6
142.96570	0.2
147.04405	100.0
147.11679	0.7
148.04770	3.1
158.52005	0.2
165.01859	0.7
165.05513	1.9
165.09074	2.0
165.12749	2.2
166.05002	0.3
166.08723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03953	0.3
53.47332	0.3
54.82129	0.2
55.01859	0.3
55.05505	0.4
62.35833	0.2
63.56488	0.2
65.03945	1.5
67.05495	1.3
69.03425	0.7
69.07059	0.4
69.64712	1.6
70.06621	0.3
77.03905	0.3
79.05498	1.4
81.07064	2.2
83.05014	0.4
91.05485	25.3
92.05804	0.6
93.07052	0.8
95.04972	2.3
95.08610	2.1
103.05497	0.4
105.07044	1.5
107.08591	1.2
109.02852	0.4
109.06519	1.0
109.10164	1.3
118.07908	0.3
119.02014	1.2
119.04942	50.3
119.08579	1.8
120.05276	0.9
120.08124	0.6
121.10134	1.0
122.07277	0.4
123.04451	2.4
123.08069	2.6
123.11725	0.7
127.07604	0.5
133.02855	0.3
137.05988	0.9
137.07967	0.5
137.09605	1.3
142.03490	0.4
147.04411	100.0
147.11687	1.1
148.04752	3.2
161.94878	0.2
165.01822	0.7
165.05563	1.9
165.07733	0.4
165.09007	1.4
165.11433	0.6
165.12755	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.3
69.49065	1.2
69.49472	0.6
74.10856	0.2
82.01459	0.5
82.99812	2.1
88.09650	0.2
98.21580	0.4
99.65698	0.3
100.02480	0.9
101.00877	24.2
102.00988	0.9
117.79728	0.3
118.03516	0.6
119.01916	100.0
120.01973	3.2
121.02349	0.4
124.02439	5.5
137.02951	30.4
138.03064	0.9
142.03493	71.6
143.03630	2.1
160.04553	22.8
161.04623	0.7
165.05103	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01863	0.4
55.05511	1.1
57.03444	0.5
57.07074	0.3
57.89088	0.2
59.04996	0.2
59.06133	0.2
60.62618	0.2
65.03932	2.1
67.05224	0.2
67.05510	2.3
68.05054	0.3
69.03407	0.5
69.07066	0.6
69.29530	0.2
69.52534	1.5
70.06578	0.3
71.01334	0.2
71.04993	0.3
75.24998	0.2
79.05498	1.9
81.03410	0.7
81.04547	0.3
81.07054	4.2
82.06604	0.3
83.04974	0.4
83.06084	0.5
83.08656	0.3
85.06571	0.3
91.05480	28.1
92.05816	0.5
93.07045	2.0
95.04971	3.8
95.08606	2.8
97.06516	0.3
98.20757	0.4
101.00864	0.3
103.05472	0.7
105.03400	0.4
105.04541	0.3
105.07036	3.3
107.04959	0.6
107.06098	0.4
107.08592	2.9
109.02869	0.2
109.06520	2.1
109.10146	1.8
111.04423	0.3
111.79865	0.2
112.03783	0.2
117.07010	0.4
119.01964	2.2
119.04940	51.2
119.08575	3.4
120.05270	1.3
120.08119	1.8
121.02844	0.5
121.06521	0.6
121.10154	1.7
122.07242	0.4
123.04429	4.3
123.08039	1.8
123.11695	1.0
124.08723	0.5
133.02867	0.5
137.02960	0.6
137.05971	1.8
137.09596	1.2
137.13242	0.2
138.06734	0.2
142.03526	1.5
142.96600	0.2
147.04408	100.0
147.11690	2.0
148.04773	3.2
148.08684	0.5
160.04546	0.4
165.01773	1.0
165.05527	3.1
165.06787	0.4
165.07777	0.4
165.09082	2.3
165.11414	0.9
165.12767	4.0
166.04964	0.4
166.08662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	2.1
58.06628	1.0
69.03433	0.6
69.71761	0.7
69.72167	1.7
70.06604	0.4
73.26391	0.5
77.30658	0.5
82.01426	0.5
82.99853	2.9
85.02905	0.6
98.97571	0.7
100.02496	1.3
100.11254	1.4
101.00880	30.5
102.00953	1.0
117.04006	0.5
119.01923	100.0
120.02000	4.0
123.04364	0.5
124.02435	3.8
137.02963	27.1
138.03082	0.7
142.03500	63.8
143.00163	0.5
143.03648	3.5
145.03459	0.7
160.04570	20.9
161.04680	0.8
165.05113	2.8
166.08406	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	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05008	0.3
56.96565	5.0
57.03443	0.4
58.99867	0.4
59.29486	0.3
69.03432	0.6
69.67874	0.3
70.81000	0.8
71.18897	0.3
72.25806	0.3
74.02451	0.3
81.07050	0.5
82.99812	1.7
84.04546	0.3
85.02892	0.6
91.05484	0.9
95.04957	2.1
98.01295	0.4
98.97589	0.8
100.02478	1.3
101.00880	25.0
102.00957	0.8
104.01260	0.3
113.02449	0.4
116.98656	0.4
118.03545	0.7
119.01921	100.0
119.04846	1.7
120.01994	3.8
120.08136	0.7
121.02413	0.4
121.97513	0.3
123.04424	3.1
124.02447	4.4
133.03458	0.8
134.99719	0.4
135.04855	0.3
136.51425	0.3
136.52592	0.3
137.02957	30.4
138.03076	1.3
142.03499	62.7
143.00154	0.4
143.01958	0.3
143.03662	3.2
145.03467	0.5
146.99522	0.3
147.04372	1.7
159.05096	0.3
160.04562	22.2
160.97458	0.4
161.01184	0.6
161.02931	0.7
161.04697	1.1
165.05118	2.9
166.08420	2.3
183.06291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03942	8.0
55.01872	0.8
55.05516	6.4
57.07053	1.9
58.53156	0.7
58.64337	0.6
60.64557	0.8
65.03920	0.7
67.05497	5.3
69.07069	13.8
70.15990	0.6
71.08622	0.6
72.50106	0.6
79.05494	23.1
81.03397	0.8
81.07056	31.2
81.26686	0.7
82.07404	0.8
83.08621	6.0
91.05470	12.4
92.02628	2.4
93.07043	30.6
95.04964	12.2
95.08606	21.7
97.48946	0.6
98.21507	2.0
100.02475	2.5
103.05446	1.3
105.03399	7.3
105.04502	3.2
105.07033	5.7
106.06564	1.2
107.04951	10.8
107.08591	72.8
108.08926	1.8
109.06517	1.5
109.10163	1.2
113.96385	1.7
118.03497	2.3
119.04904	4.3
119.08575	2.4
121.06485	0.9
121.10147	23.4
122.10424	1.0
130.06528	1.1
131.04898	1.3
131.97415	1.3
132.08110	1.9
133.02856	20.1
135.04410	22.7
135.11690	11.9
145.06497	0.8
145.10083	1.5
163.03899	100.0
163.07538	3.6
163.11182	5.5
163.12506	1.6
163.14822	43.2
164.04294	4.3
164.07062	0.7
164.15099	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02374	0.6
53.03949	6.9
54.54525	0.4
55.01854	1.0
55.05515	5.2
57.07065	1.3
65.03923	0.9
67.05505	14.2
69.06741	0.5
69.07071	6.8
69.87572	0.7
69.87988	1.4
77.03925	1.4
78.52125	0.4
79.05494	37.2
80.05038	0.5
80.05825	1.2
81.03416	1.0
81.07056	24.5
82.07384	0.4
83.08618	4.5
91.05476	11.4
92.02626	2.5
92.05799	0.6
93.07043	36.1
94.07389	0.7
95.04970	15.4
95.08607	23.6
96.05309	0.9
96.08946	0.6
97.10163	0.9
100.02477	2.0
103.05460	1.5
105.03391	7.8
105.04494	3.1
105.07037	2.9
106.03751	0.6
106.06544	0.9
107.04959	13.1
107.08593	32.9
108.05270	0.5
108.08925	1.0
109.06496	0.8
109.10172	1.7
115.05396	0.6
117.05777	0.9
117.07013	2.7
118.03535	0.9
119.04942	5.5
119.08581	3.3
120.02081	0.5
121.06504	1.2
121.10145	42.9
122.10477	1.4
130.06528	1.9
131.04927	1.2
132.08102	2.3
133.02850	20.4
134.03171	1.2
135.04420	23.2
135.08076	0.7
135.11702	4.8
136.04752	0.6
136.07556	0.7
145.02794	0.6
145.06448	1.4
145.10129	2.0
163.03900	100.0
163.07509	2.9
163.11145	9.2
163.12350	1.6
163.14822	31.0
164.04312	5.3
164.06985	0.8
164.15179	1.6
173.49130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02376	0.8
53.03948	5.5
54.54433	0.9
55.01880	6.1
55.05511	7.4
57.03437	1.0
57.07089	1.0
61.96560	0.7
65.03941	3.1
67.05507	7.4
67.32335	0.7
67.48121	0.7
68.05019	0.9
68.99805	1.3
69.03431	4.8
69.07072	6.5
69.45440	5.6
77.03925	2.2
79.05493	35.0
80.05791	0.7
81.03412	1.3
81.07056	37.5
82.05320	0.8
83.04965	2.8
83.08617	1.2
89.03907	4.2
91.05482	33.4
92.02635	1.0
92.05815	1.1
93.03416	1.3
93.07043	55.9
95.04967	15.6
95.06094	1.5
95.08595	4.3
96.04543	0.9
96.06912	0.9
97.07679	1.3
103.05462	13.0
103.06078	1.5
105.03378	6.2
105.04510	2.4
105.07034	24.6
106.06536	1.5
107.04954	42.1
107.08595	35.3
108.05771	7.1
108.08126	1.5
109.06523	13.8
115.05450	2.1
117.03428	1.8
117.07023	12.4
119.04947	12.3
119.05869	1.2
119.06079	1.1
119.08585	20.7
120.05624	1.4
121.06510	9.6
121.10145	51.2
122.07157	2.7
122.10487	1.2
123.07983	2.6
127.07563	13.1
128.06129	1.1
129.07005	1.9
130.06613	1.8
130.07787	8.4
131.04936	15.2
132.08102	2.6
133.02869	7.8
133.06465	2.4
133.07585	0.7
135.04427	19.7
135.08063	9.7
135.11685	9.1
135.32600	0.7
136.07582	32.6
136.08600	1.6
137.01840	1.0
140.07014	1.0
143.08549	2.2
145.02855	2.7
145.06494	3.6
145.10126	60.4
146.07082	1.5
146.10477	1.9
147.08037	1.0
148.08855	2.5
161.05777	0.8
161.09578	1.5
163.03911	100.0
163.07538	13.7
163.09795	5.6
163.11171	88.7
163.14786	6.9
164.04340	4.3
164.07025	5.2
164.11536	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	163.039
Annotation	4-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.15550	0.2
53.03954	1.1
55.90163	0.2
65.03952	1.1
68.99806	0.5
70.15488	0.7
70.22867	0.2
77.03917	0.4
79.05493	1.6
91.05485	16.7
92.05812	0.4
93.07047	0.4
95.04961	1.7
100.02465	0.2
105.03387	0.7
105.04497	0.4
107.04957	38.0
107.08616	0.4
108.05289	0.9
119.04941	18.6
120.05226	0.5
131.04922	0.3
132.08133	0.2
133.02850	1.4
135.04417	4.1
158.14215	0.2
163.03903	100.0
164.04243	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	163.0389
Annotation	4-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03942	0.7
53.40182	0.2
55.01891	0.2
65.03942	1.3
68.99792	0.7
69.87447	1.1
79.05491	1.6
80.05819	0.3
80.64137	0.2
89.62089	0.2
91.05480	18.6
92.05797	0.4
95.04972	1.5
98.21461	0.4
105.04534	0.3
107.04955	45.2
108.05278	0.8
111.19766	0.2
116.36749	0.2
119.04942	21.0
120.05217	0.4
135.02208	0.2
135.04440	2.4
144.66602	0.2
161.72110	0.3
163.03900	100.0
164.04248	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	4-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02379	0.4
53.03954	2.2
55.01891	0.3
65.03932	1.0
66.56399	0.3
67.05484	0.5
68.31669	0.3
68.99806	0.3
69.07076	0.4
69.42506	2.5
70.56057	0.3
79.05490	2.5
81.07053	0.9
91.05486	14.7
92.02634	0.7
92.05826	0.4
93.07018	0.8
95.04958	3.2
95.08588	0.7
98.20718	0.6
105.03394	1.3
105.04487	0.7
105.07034	0.4
107.04958	32.8
107.08597	2.6
108.05293	0.9
108.58350	0.3
109.41422	0.3
119.04947	16.3
120.05251	0.4
121.10151	0.7
122.35381	0.3
130.06500	0.4
132.08101	0.4
133.02861	4.6
135.04430	6.0
135.11684	0.6
163.03906	100.0
163.11179	0.8
163.14813	1.0
164.04242	2.9
164.71854	0.3
172.01836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0911
Annotation	Boschniakine
Peak:m/z	Relative Intensity
51.02378	0.3
53.00285	0.1
53.03951	0.9
53.99809	0.1
63.87634	0.1
69.37078	1.0
75.60023	0.1
77.03878	0.6
79.05474	0.2
93.07072	0.1
95.04971	1.6
98.20810	0.2
105.03394	100.0
106.03726	2.8
107.04965	0.2
107.08652	0.1
113.25298	0.1
125.59605	0.1
133.02844	0.7
134.06018	6.0
135.04369	0.6
135.06349	0.1
152.07050	0.1
162.09140	51.7
163.03900	2.5
163.07442	0.2
163.09491	1.8
167.51552	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	162.0914
Annotation	Boschniakine
Peak:m/z	Relative Intensity
53.03950	1.2
55.01856	0.2
56.05011	0.3
56.96560	0.5
58.06606	0.3
63.97351	0.3
69.03436	0.7
69.20609	2.8
70.06592	0.4
72.08184	0.3
74.06095	1.8
77.03946	0.9
79.05498	2.4
81.03423	0.5
81.04549	0.4
81.07053	0.3
84.04517	0.6
85.02919	0.5
88.07663	0.4
89.03916	0.8
91.05481	0.8
92.05038	0.3
93.07041	0.4
95.04971	2.0
95.06106	0.6
98.06018	0.3
102.05544	0.8
102.96925	0.4
103.05466	0.5
105.03394	100.0
106.03719	2.3
106.06569	4.8
106.07274	0.3
107.04965	2.4
107.06076	0.4
107.08591	0.5
111.04480	0.4
116.04985	2.2
117.07009	0.5
118.06549	0.4
120.02006	0.4
120.04487	0.6
120.05667	0.4
120.06577	1.0
120.08137	0.4
120.96489	0.3
121.06485	0.4
121.96723	0.3
122.07182	0.5
123.07989	0.5
130.06503	0.5
131.04935	0.7
132.08054	0.5
133.02866	1.7
133.05225	0.4
134.06023	21.3
134.10492	0.5
135.04428	2.4
135.06410	0.5
135.08043	0.4
136.08670	0.4
138.03102	0.5
139.01790	0.6
144.04457	3.2
144.05513	0.5
145.02873	0.4
145.06480	0.3
145.09773	0.4
152.07120	0.4
156.96246	0.2
162.04327	0.9
162.05504	23.8
162.09135	53.3
163.01794	0.3
163.03911	5.7
163.06000	0.5
163.07513	0.8
163.09680	2.5
163.11073	0.5
163.12344	0.7
181.02847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0905
Annotation	Boschniakine
Peak:m/z	Relative Intensity
53.03941	1.4
55.05531	0.5
69.20568	3.1
69.20985	1.1
71.93439	0.4
74.06063	1.0
77.03926	0.9
79.05482	1.6
81.07069	0.5
84.35824	0.4
90.16789	0.4
91.05477	0.8
93.07027	1.5
95.04968	1.7
103.05466	1.7
104.27004	0.4
105.03388	100.0
105.07011	0.8
106.03719	2.6
106.06610	0.4
106.07369	1.2
107.04939	1.4
107.08596	2.1
113.64311	0.4
117.07049	0.6
118.06553	0.7
120.08133	0.6
120.08894	0.6
121.10142	1.1
131.04901	1.3
133.02885	0.7
134.03656	1.0
134.06006	6.0
134.10472	0.6
135.04408	2.3
135.08005	0.4
135.11667	0.4
144.04410	0.6
145.10086	0.7
148.81454	0.4
162.05496	7.5
162.09129	54.3
163.03908	5.7
163.07495	1.1
163.09529	2.0
163.11154	2.3
163.14798	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05531	0.5
69.20568	3.1
69.20985	1.1
71.93439	0.4
74.06063	1.0
77.03926	0.9
79.05482	1.6
81.07069	0.5
84.35824	0.4
90.16789	0.4
91.05477	0.8
93.07027	1.5
95.04968	1.7
103.05466	1.7
104.27004	0.4
105.03388	100.0
105.07011	0.8
106.03719	2.6
106.06610	0.4
106.07369	1.2
107.04939	1.4
107.08596	2.1
113.64311	0.4
117.07049	0.6
118.06553	0.7
120.08133	0.6
120.08894	0.6
121.10142	1.1
131.04901	1.3
133.02885	0.7
134.03656	1.0
134.06006	6.0
134.10472	0.6
135.04408	2.3
135.08005	0.4
135.11667	0.4
144.04410	0.6
145.10086	0.7
148.81454	0.4
162.05496	7.5
162.09129	54.3
163.03908	5.7
163.07495	1.1
163.09529	2.0
163.11154	2.3
163.14798	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.055
Annotation	Jineol
Peak:m/z	Relative Intensity
52.52066	0.2
63.12602	0.2
68.99782	0.3
71.16509	0.5
72.06807	0.2
72.08134	0.2
73.47901	0.2
76.30074	0.2
89.03909	1.1
92.05012	0.3
94.06564	0.9
95.04951	0.2
103.05448	0.2
105.03387	0.5
107.04922	0.3
116.04971	3.2
117.03362	0.3
120.04465	2.8
123.16232	0.2
131.35114	0.2
144.04408	0.9
162.05498	100.0
163.03859	0.6
163.05853	2.6
171.81378	0.2
172.35526	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	162.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63310	0.4
53.03949	1.2
55.01875	4.1
55.05501	1.6
56.05028	0.6
56.96565	100.0
57.03437	9.8
58.06590	0.8
59.05001	9.3
60.04528	0.8
60.05640	0.7
60.08163	0.7
60.95857	10.6
61.02926	7.6
67.05500	1.1
68.05044	0.6
69.03429	60.3
69.07066	1.0
70.03761	2.7
70.06594	4.9
71.01357	1.0
71.04983	2.5
71.51694	0.7
71.95267	1.5
72.08157	2.2
73.02917	13.8
74.02425	0.7
74.03281	0.5
74.06079	1.6
74.97604	3.7
75.01032	0.6
75.94546	1.4
77.00793	1.6
79.05501	2.1
80.05013	0.7
81.01043	0.9
81.03419	9.5
81.04539	0.6
81.07050	1.0
82.06567	0.6
83.00793	1.2
83.01305	0.7
83.05011	0.6
84.01566	0.6
84.04490	1.9
84.08147	3.0
84.96034	5.8
85.02904	28.4
85.06529	0.7
85.08485	1.0
86.03242	1.1
86.06058	0.7
86.09698	0.6
87.01006	1.2
87.04476	5.9
88.07648	0.7
89.00758	2.6
89.03926	0.6
90.01550	4.5
91.03952	1.7
91.05477	1.6
92.01280	0.8
93.07055	0.7
94.04055	0.6
94.06586	0.6
94.51564	0.5
95.00762	1.8
95.02586	0.5
95.04958	1.2
95.06065	0.6
96.01533	3.4
97.00500	1.5
97.02890	29.9
97.96804	1.0
97.99182	1.4
98.01273	2.0
98.03188	1.8
98.06069	1.0
98.09712	1.2
98.97584	38.7
99.02087	1.6
99.04443	3.6
99.08085	3.0
99.97912	1.2
100.07634	0.4
100.99165	0.7
101.00761	3.9
101.02441	0.6
101.52386	0.8
101.97183	0.5
102.00966	1.4
102.05518	1.3
102.09158	0.5
102.96868	35.6
103.00623	2.2
103.02306	1.1
103.03969	0.6
103.05466	1.2
104.01282	2.9
104.03111	1.0
105.02065	1.5
105.03376	2.4
105.04516	0.5
105.07063	0.7
106.01020	1.2
106.02815	0.5
106.06544	1.9
106.07288	0.8
106.51573	0.8
107.01838	0.9
107.02519	0.4
107.04945	2.3
107.06052	0.5
107.08520	0.5
107.52302	0.5
108.05618	0.6
109.02307	0.6
109.02902	4.8
110.01276	16.1
110.03117	0.7
110.06030	0.9
110.07140	0.5
110.51469	0.6
110.52909	0.9
110.97558	6.8
111.02073	0.8
111.04443	0.7
112.02827	0.9
112.03942	2.2
112.07623	0.6
112.99120	0.8
113.01788	0.8
115.00700	15.0
115.03952	1.0
115.52087	2.2
115.97849	0.7
116.00235	0.8
116.01044	0.5
116.04956	0.8
116.07066	1.5
116.10717	1.9
116.52851	0.7
116.98624	23.4
117.02021	1.0
117.96440	0.4
117.98918	0.5
118.01017	0.7
118.02838	1.8
118.03587	0.5
119.00080	1.0
119.01808	31.9
119.51987	2.1
119.98225	0.6
120.02020	14.4
120.03185	0.8
120.05609	0.7
120.08093	3.7
120.08853	0.8
120.97906	41.9
121.00858	0.8
121.01667	11.0
121.02416	0.5
121.05105	1.8
121.06536	0.5
121.52078	2.0
122.05940	0.7
123.02026	1.2
123.03468	0.6
124.02805	0.9
124.52589	8.1
124.99088	2.0
125.01827	0.9
125.02701	1.0
125.53385	1.4
126.02560	1.1
127.01510	1.6
127.03974	7.3
128.02315	28.8
128.52487	1.8
128.98611	10.3
130.02779	1.9
130.06503	1.1
130.52586	3.2
131.00146	1.8
131.01834	0.7
131.02730	0.4
132.02545	1.2
132.08073	1.2
133.01735	21.8
133.02760	1.3
133.53105	1.6
134.02103	0.9
134.05992	3.2
134.06905	0.8
134.99655	12.9
135.04457	2.6
135.05374	0.6
135.06622	1.1
136.03363	0.9
136.48318	0.5
137.02834	6.5
137.99347	0.7
138.03081	7.7
138.04202	0.9
138.52364	2.3
138.98941	41.7
139.02542	2.1
139.03508	6.1
139.53093	3.2
140.00188	1.9
140.02248	1.6
140.98589	1.2
141.03116	0.8
143.00166	8.1
143.99539	2.1
144.03232	4.4
144.04355	0.8
144.06563	0.5
144.13785	0.7
144.98062	1.6
145.01736	0.6
145.02841	0.5
145.05014	4.2
145.09698	0.5
145.48793	0.6
146.99654	10.8
147.03130	0.8
147.52832	1.6
148.02824	0.5
148.03877	7.5
148.53899	0.4
149.01193	1.1
150.54135	1.3
151.02769	5.0
152.05681	2.8
153.00645	1.0
153.03081	2.8
155.00185	0.5
156.03300	1.6
157.00005	8.6
157.01549	0.7
157.01743	1.0
157.03424	1.3
158.01251	2.3
158.03021	0.7
158.99660	11.2
159.03221	0.5
159.54642	1.3
160.04602	0.5
161.01222	25.0
161.06557	0.6
162.00566	3.7
162.01669	0.9
162.03600	18.1
162.05479	10.9
162.07716	6.2
162.09097	2.3
162.10204	1.8
162.11249	1.2
162.14911	0.9
162.53763	1.9
162.99100	1.8
163.02766	0.7
163.03899	8.6
163.06114	0.6
163.07452	0.8
163.08659	0.8
163.09831	0.5
163.12305	1.3
165.00746	2.3
167.02170	0.5
170.01196	0.6
170.99686	3.6
171.04150	11.9
171.54279	1.0
173.01132	1.0
173.54436	2.2
174.99158	2.0
175.02745	1.1
175.04404	0.7
176.04099	0.4
177.00716	14.7
177.04222	0.9
178.00977	0.6
178.04672	0.6
178.98718	0.6
179.02281	14.2
180.04105	1.5
180.05420	1.1
181.02838	0.9
182.54945	0.9
182.99658	0.9
184.02824	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03949	1.1
55.05510	5.0
67.05499	1.5
69.07068	6.5
69.25472	0.4
70.87815	0.9
70.88175	0.7
79.05494	4.4
81.07061	5.8
82.28010	0.4
90.45947	0.5
91.05486	14.4
93.07052	3.5
95.04970	1.0
95.08598	0.6
103.05457	2.1
105.03408	0.9
105.07030	74.7
106.07342	2.3
107.08586	1.5
113.24613	0.4
115.05430	1.3
117.07030	4.2
118.06555	0.5
118.07825	0.5
119.08580	100.0
120.08143	1.1
120.08936	3.0
121.10126	1.3
128.06218	0.4
129.06998	0.4
131.08560	3.7
132.09370	1.1
133.06500	1.7
133.10127	30.2
134.05989	0.8
134.10480	0.7
143.08568	0.7
144.09349	0.4
145.10127	1.3
146.03618	0.7
146.10880	2.1
159.11679	3.4
161.05920	2.5
161.09622	5.7
161.13257	73.6
162.05486	2.0
162.09094	1.0
162.13605	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	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03942	1.2
53.07438	0.4
55.01871	2.1
55.05509	6.0
56.84560	0.4
65.03949	1.0
67.05501	12.4
69.03421	0.7
69.07069	6.5
70.57539	1.2
77.03928	0.9
78.93121	0.8
79.05491	18.3
80.04992	0.6
80.05826	0.5
81.07051	20.1
83.39365	0.5
90.04708	0.8
91.05476	43.5
92.05817	1.2
93.04546	0.5
93.07040	15.9
95.04962	2.9
95.08610	7.3
100.56988	0.5
103.05471	7.4
105.03396	3.6
105.07027	100.0
106.06627	0.8
106.07319	3.5
107.04951	1.3
107.08598	3.8
111.00142	0.4
115.05455	8.6
117.07021	7.7
118.04147	5.1
118.06576	0.6
119.08578	86.1
119.95730	0.5
120.08111	1.1
120.08933	2.5
121.06452	1.9
121.10133	1.3
128.06219	2.0
131.04921	1.6
131.08554	3.8
132.05722	0.6
132.09348	1.1
133.02875	0.6
133.06494	13.8
133.10126	54.3
134.05994	1.0
134.06944	0.8
134.10469	2.2
143.06059	1.4
143.08539	2.9
144.07976	0.4
145.06554	0.6
145.10118	0.9
146.03610	2.2
146.07272	3.2
146.10889	1.6
155.51627	0.5
159.11691	2.6
161.05994	8.1
161.08250	1.0
161.09621	16.9
161.13251	74.2
162.05473	4.8
162.09001	2.7
162.13580	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	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03932	1.1
53.08283	0.5
55.01870	3.0
55.05510	3.2
56.05036	1.0
58.06600	0.5
58.99585	0.7
59.06116	0.6
60.04525	0.6
63.36602	0.5
67.05499	2.2
69.03422	3.4
69.07060	2.2
70.06621	0.6
71.52776	0.6
72.08153	2.0
74.06073	1.3
77.03915	1.1
78.93109	1.0
79.05495	8.4
80.05006	0.8
81.07047	3.1
84.04507	2.1
84.08134	1.2
85.02901	0.8
86.43157	0.5
91.05476	16.9
92.05807	0.5
93.04532	1.2
93.07040	6.9
95.04961	2.1
97.02932	0.7
102.05539	1.3
103.05476	4.7
105.03393	13.9
105.07027	88.7
106.06635	0.7
106.07339	2.4
107.04964	4.3
107.06081	1.2
107.08610	1.2
110.14373	0.5
113.02352	0.6
115.05453	7.4
116.01659	0.7
116.06271	0.8
116.07030	0.6
117.07047	5.3
118.04156	2.2
118.07783	1.9
119.04934	1.4
119.08578	25.8
120.05579	1.8
120.06560	1.4
120.08141	1.3
120.08878	0.9
121.06483	18.2
128.06184	5.3
131.04916	4.6
131.08586	4.9
132.05716	3.4
133.02835	1.3
133.05496	0.8
133.06503	15.1
133.10126	53.1
134.05994	2.3
134.07068	2.4
134.09541	0.5
134.10448	2.0
135.66273	0.6
137.02948	0.6
138.59348	0.5
139.01697	0.5
143.04889	0.8
143.08560	7.0
144.06627	0.7
145.06447	4.3
146.03630	1.2
146.07265	25.3
146.10829	0.5
147.07576	1.2
159.08076	2.1
159.11781	0.6
161.05988	14.9
161.09608	100.0
161.13234	15.7
162.03288	0.5
162.05473	9.7
162.08943	7.0
162.10182	1.6
176.82579	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02369	0.5
51.47327	0.4
53.03939	1.9
54.55173	0.3
55.01868	4.4
55.05510	2.8
56.05024	0.4
57.01836	0.3
57.65319	0.3
59.06128	0.5
60.04510	0.4
63.86879	0.3
65.03942	0.7
66.04727	1.1
67.05505	1.3
69.03427	1.0
69.07058	2.1
70.06564	0.4
70.55823	0.3
71.04996	0.3
71.52819	0.4
72.08142	1.1
74.06087	0.5
75.07011	0.3
77.03926	1.1
78.93131	0.4
79.05490	17.0
81.03419	0.6
81.07062	2.5
84.04496	0.9
84.08150	0.6
85.02903	0.4
89.03888	0.6
90.04692	3.2
91.04906	0.5
91.05478	10.2
92.02615	0.9
93.04540	0.9
93.07048	2.5
95.04962	4.1
95.08613	0.6
97.02876	0.6
101.07156	0.5
102.04702	0.6
103.05464	21.1
104.05744	0.5
105.03418	3.1
105.07026	100.0
106.06620	0.7
106.07368	2.6
107.04947	1.5
107.08595	1.0
114.75342	0.3
115.05450	23.0
116.04939	0.4
116.05746	0.8
117.07023	2.5
118.04156	14.8
118.07790	0.6
119.04912	0.5
119.08575	22.3
120.04449	0.4
120.05552	0.4
120.06547	0.5
120.08100	3.7
120.08873	0.4
121.06443	4.5
121.10095	0.5
122.03498	0.4
128.06184	2.0
131.04927	4.3
131.08563	2.8
132.05699	1.7
133.02823	0.8
133.06487	40.5
133.10121	22.7
134.05986	0.8
134.06952	1.5
134.10532	0.5
143.04929	0.8
143.06026	4.0
143.08542	2.6
144.08099	0.8
145.06416	0.8
146.03584	1.6
146.07254	6.6
148.05772	0.9
159.11646	0.4
161.05986	13.4
161.08150	2.1
161.09596	27.1
161.13249	16.9
161.14630	0.8
162.05473	9.9
162.09027	2.1
162.13588	0.6
162.80222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32812	0.1
56.96569	0.7
58.99862	0.2
59.06090	0.2
60.00626	0.2
60.04524	0.3
60.95855	0.2
70.08163	0.4
71.95266	0.4
77.17197	0.1
78.93119	0.1
79.74619	0.1
81.07011	0.1
82.99808	0.8
85.02869	0.1
86.06088	0.1
91.05479	0.2
95.85867	0.1
97.07648	0.1
98.97567	0.6
100.02482	0.3
100.97191	0.2
101.00876	13.7
101.01967	0.3
101.07171	0.1
101.95033	5.1
101.97210	0.2
102.00344	0.2
102.00948	1.8
102.96869	1.2
103.00627	0.4
103.02457	0.2
105.07047	0.6
107.06018	0.1
111.04464	0.1
116.98631	0.7
118.03526	1.2
119.01921	100.0
119.08561	0.4
119.96070	2.4
119.98212	0.2
120.02010	10.0
120.97897	1.2
121.01644	2.1
121.02382	0.3
121.06373	0.3
124.02493	0.4
125.02622	0.3
126.02191	0.1
133.06447	0.2
133.10110	0.4
134.07088	0.2
134.99654	0.6
135.06168	0.2
136.02760	0.1
136.04549	0.7
137.02959	50.6
137.97104	2.3
137.99886	0.2
138.03064	4.9
138.04236	0.3
138.98970	0.9
139.02602	0.8
142.03499	5.0
142.97676	0.1
143.03665	5.6
143.06863	0.1
143.48373	0.1
144.03204	1.6
145.48872	0.2
147.04991	0.2
149.60593	0.1
150.06279	0.2
155.98140	0.7
160.04573	1.6
160.98659	0.2
161.02936	3.4
161.04616	5.4
161.08202	0.1
161.09528	0.7
161.13219	0.2
162.03098	0.2
162.04269	1.6
166.05283	0.3
176.04402	0.1
179.04004	5.9
179.05605	2.3
180.03993	0.3
180.05382	0.5
184.04485	0.2
184.06128	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56580	0.2
55.07322	0.3
56.05031	0.4
56.96566	2.2
58.99886	0.4
59.06125	1.8
59.93110	1.4
60.04522	0.5
60.95850	0.3
68.05057	0.3
68.57175	0.2
70.06589	0.3
70.86188	0.3
70.86543	0.7
71.95258	0.6
72.53909	0.2
74.06099	0.3
75.05599	0.4
77.00916	0.3
77.71857	0.2
77.94144	0.4
82.99848	1.4
83.06117	0.3
84.04523	0.4
85.02881	0.3
85.07662	0.5
86.06096	0.3
91.05479	0.4
97.07624	0.3
97.99181	0.4
98.97586	2.3
99.09240	0.2
99.97215	0.3
99.97913	1.0
100.02483	1.9
100.07639	0.3
100.97189	1.8
100.97990	0.7
101.00876	16.7
101.07137	0.5
101.95031	4.1
102.00985	0.6
102.05522	0.3
105.07005	0.4
115.05469	0.3
116.00214	0.3
116.98600	2.3
117.98949	1.3
118.03523	7.0
118.04318	0.5
118.06570	1.5
118.96764	3.3
118.98212	1.7
119.01920	100.0
119.96066	1.7
120.02010	2.2
120.03268	0.8
121.01646	1.7
121.02374	0.3
121.06444	0.3
124.02447	2.5
130.06505	0.3
132.08051	0.6
133.06477	0.3
134.99661	2.0
135.99979	1.0
136.02798	2.2
136.04550	6.6
136.05566	0.6
136.99287	0.9
137.02960	43.2
137.97079	1.4
138.03069	1.0
138.04199	0.3
139.02704	0.7
141.05070	0.4
142.03497	47.6
143.03737	2.0
145.48883	0.4
154.59097	1.0
154.96422	1.4
155.98172	0.7
160.04556	43.4
161.02919	1.4
161.04849	2.3
161.08110	0.3
161.09468	0.4
161.13130	0.3
165.05066	2.1
178.05606	15.5
179.03990	2.6
179.05551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
57.43141	0.4
61.82986	0.5
65.03967	0.6
67.05513	4.2
68.51897	0.5
69.03459	0.5
70.06596	1.3
70.91591	1.7
71.04991	0.5
76.93376	4.5
77.91007	0.5
78.85946	0.6
79.05497	4.4
79.54752	0.5
81.07063	3.4
91.05480	17.5
92.05813	0.9
93.07045	2.0
94.49875	0.6
94.94417	2.1
96.08105	0.6
103.05468	1.1
105.07034	21.5
113.02361	1.2
113.07963	0.6
115.05446	5.1
116.06252	2.2
117.07019	47.5
117.95984	3.3
118.06585	3.3
118.07294	1.0
119.08582	7.6
128.06270	1.0
129.07007	13.0
130.07802	11.9
131.04916	2.5
131.08571	71.3
132.08064	1.4
132.08926	2.3
135.97031	4.0
141.01837	4.5
141.06964	1.2
142.07806	1.5
143.08473	0.6
144.05667	0.8
144.09346	16.4
145.09985	0.7
157.10149	3.1
158.98598	0.8
159.04404	1.3
159.08136	6.1
159.11691	100.0
160.06268	0.5
160.07535	1.4
160.12027	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	159.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03460	2.3
55.01846	2.8
55.05518	8.7
56.05035	13.0
56.96562	39.5
57.03428	5.0
57.07058	2.4
58.02953	2.2
58.06604	5.6
58.99568	1.2
59.05000	2.7
59.06120	12.6
59.93085	2.9
60.04527	5.6
61.02916	2.8
67.05499	9.7
67.66411	1.1
68.05012	3.5
69.03412	5.4
69.04539	1.1
69.07066	2.3
70.02947	1.7
70.06596	8.2
70.27527	1.0
70.84663	2.0
71.04995	10.3
71.06086	4.0
71.06896	3.4
71.95231	4.9
72.04520	6.1
72.07809	1.3
72.08150	14.5
73.02931	1.3
73.06531	1.9
74.06061	3.6
75.05582	1.6
76.03991	5.0
76.93372	9.2
77.94151	1.6
79.05454	4.2
81.03400	3.6
81.04525	1.2
81.07050	13.5
83.04977	13.8
83.06063	4.2
84.04501	9.7
84.08150	9.1
85.02905	6.4
85.04008	2.0
85.06523	3.1
85.07633	4.4
85.08456	2.0
86.02391	2.5
86.06041	4.8
86.08434	1.3
86.09686	5.0
87.00825	9.7
87.04422	1.9
87.05566	2.3
88.03950	2.0
88.08729	3.4
89.00587	1.6
91.05474	9.9
93.07008	3.0
94.94358	4.0
95.04939	3.4
95.06078	6.8
95.08604	32.6
95.95183	1.9
96.04452	4.3
96.06824	1.2
96.08126	2.4
96.95485	1.0
97.02885	3.7
97.06487	3.8
97.07647	1.4
98.06015	2.8
98.09672	2.3
98.97580	61.1
99.04444	4.9
99.05566	6.9
99.08099	9.1
99.09176	1.7
99.97893	3.9
100.03950	3.8
100.07604	3.1
101.05996	3.8
101.07106	2.6
102.05511	5.6
103.05450	3.6
105.01838	1.5
105.07026	31.6
108.95820	1.3
110.01259	1.3
111.05537	2.6
111.08064	2.5
112.07564	1.6
113.02341	4.2
113.05941	8.0
113.07088	10.1
113.07918	2.9
113.09621	2.5
113.10778	1.5
114.05492	4.6
114.09132	3.7
115.04170	1.5
115.05457	35.1
115.08707	1.8
116.05746	1.1
116.07030	2.4
116.10706	3.7
116.98615	81.6
117.01842	9.6
117.03857	1.2
117.05782	24.9
117.07085	10.5
117.95988	9.0
117.98950	6.9
118.05066	1.8
118.06549	18.4
118.96772	9.6
119.01894	9.7
119.07321	67.6
119.08607	4.8
120.07633	1.5
123.05583	1.7
123.08074	11.6
128.00745	3.0
129.06982	8.9
129.10219	1.4
130.06519	8.2
130.07732	3.2
130.08604	1.4
131.01826	1.3
131.04919	6.7
131.07053	1.2
131.07539	1.7
131.08554	23.8
132.04414	3.0
132.08084	91.8
133.08502	1.1
134.99652	100.0
135.97026	6.6
136.00032	7.2
136.02762	1.2
137.02907	3.8
140.00146	4.1
141.01828	10.9
141.06483	5.7
141.09081	4.5
141.10110	1.3
142.03438	2.9
142.06506	14.1
142.09731	1.4
143.08168	1.2
144.05658	1.8
144.09335	16.8
145.01324	1.4
147.05824	2.1
149.06599	3.1
149.96065	1.1
150.95743	2.2
153.00706	19.1
153.96689	3.4
154.01025	1.7
154.59035	2.0
154.96434	4.3
157.10030	1.7
158.01271	7.1
159.02898	2.8
159.04382	1.6
159.07803	13.5
159.09138	84.8
159.11665	51.7
159.15822	1.9
160.04659	2.1
160.07561	37.7
160.09557	7.0
160.11989	2.4
161.02957	2.0
176.02307	1.8
177.00656	2.2
178.05641	1.6
179.61832	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0917
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03934	1.8
54.03456	1.2
54.24199	1.2
55.01851	3.4
55.05525	6.4
55.74830	1.2
56.05031	10.5
56.96567	29.8
57.03421	4.3
57.07042	2.0
57.54011	1.1
58.02945	2.3
58.06582	4.2
58.99547	1.3
59.04985	2.1
59.06127	7.9
59.93096	1.8
60.04506	4.2
61.02919	1.9
67.05505	8.0
68.05026	2.0
69.03404	3.7
69.07056	1.8
70.06588	6.0
70.07413	2.0
71.04994	10.6
71.06107	3.8
71.06917	2.9
71.51507	1.6
71.95245	3.2
72.04515	6.8
72.08153	11.2
73.02915	1.2
74.06058	2.5
75.05601	1.6
76.03980	3.5
76.93368	5.8
79.05464	4.4
80.50947	1.1
81.03426	1.6
81.04517	1.7
81.07050	12.9
82.06593	1.2
83.04988	9.4
83.06104	1.9
84.04500	7.1
84.08160	9.3
85.02908	5.8
85.04018	1.7
85.06530	2.3
85.07656	4.0
86.06059	3.5
86.09676	4.0
87.00828	8.8
87.04441	2.0
87.05571	2.2
88.03979	2.5
88.08723	3.5
91.05483	10.1
93.07008	2.1
95.04935	3.7
95.06097	6.9
95.08612	28.8
95.81094	1.1
96.04474	3.9
97.02901	2.9
97.06512	4.3
98.05998	1.5
98.97585	56.0
99.04441	4.3
99.05594	8.4
99.08084	8.0
99.97900	5.3
100.03962	3.1
100.07600	2.1
101.02379	1.5
101.06050	5.7
101.07119	2.0
102.05523	5.1
103.05450	3.4
104.04987	1.2
105.01848	1.7
105.07040	29.2
108.98346	1.1
109.02910	1.6
111.05560	2.5
111.08054	3.4
112.23504	1.1
113.02362	2.6
113.05953	6.1
113.07114	8.0
113.07907	3.2
113.09607	1.9
114.05515	3.5
114.09140	3.6
115.05466	32.2
116.06281	2.1
116.07055	1.7
116.08197	1.3
116.98621	68.8
117.01865	7.9
117.05784	26.8
117.07082	9.3
117.96017	6.5
117.98937	6.1
118.06565	14.8
118.96755	7.7
119.01931	6.9
119.04117	1.4
119.07329	75.1
119.08624	5.3
120.07643	1.7
123.08078	9.2
124.03916	1.6
128.00818	1.7
129.07027	6.6
130.06509	5.5
130.07751	2.3
131.04898	5.2
131.08562	18.1
132.04375	1.5
132.08093	100.0
133.08412	2.3
134.99661	66.7
135.96968	4.4
135.99988	4.1
137.02904	1.8
140.00203	2.5
141.01828	7.6
141.06589	4.7
141.09088	4.0
141.10072	1.3
142.03435	1.7
142.06506	15.3
143.08369	1.4
143.77852	1.3
144.05650	2.0
144.09351	15.5
147.05800	2.5
149.06601	2.3
150.74762	1.2
153.00702	13.2
153.96718	3.8
154.01028	1.7
154.96425	3.6
157.10120	2.4
158.01262	5.2
159.03018	2.8
159.04465	3.8
159.07800	10.1
159.09154	98.1
159.11673	43.5
159.15874	3.4
160.04640	1.4
160.07574	37.7
160.09598	5.2
160.10800	1.5
160.12166	2.1
168.03287	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	13.2
58.06591	0.5
70.06586	0.6
70.54314	0.8
71.95261	2.1
72.08198	0.4
84.08146	0.9
84.69062	0.4
93.79446	0.4
98.97586	100.0
99.97925	0.6
110.78323	0.4
116.98623	78.8
119.01907	0.7
121.32075	0.4
130.06519	0.7
134.01231	0.5
134.99657	37.5
139.33771	0.4
140.00156	2.6
153.00699	5.0
158.01256	3.0
158.11772	0.9
176.02409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0601
Annotation	1-Nitrosonaphthalene
Peak:m/z	Relative Intensity
51.02374	0.1
53.03943	0.3
56.39389	0.1
56.96553	0.2
57.07076	0.9
67.05480	0.1
69.07057	0.2
70.06592	0.8
70.45909	0.2
70.46235	0.3
71.08630	0.4
74.06073	0.5
74.93830	0.2
75.93623	0.2
76.93371	0.6
84.08123	0.8
88.07635	1.9
91.05485	0.2
94.06550	0.1
94.94402	0.2
95.04967	0.5
98.06066	0.2
98.97609	0.6
102.09182	1.4
103.05466	5.8
104.05775	0.2
105.04559	0.1
112.07607	0.9
115.05453	0.4
116.07096	0.2
116.97253	0.3
116.98619	0.5
117.05746	0.2
117.07031	0.3
117.95979	0.5
122.55957	0.1
128.04968	1.0
129.07013	0.2
130.06526	100.0
130.41795	0.1
131.04938	0.9
131.06877	3.0
131.08420	0.6
134.99611	0.2
135.97026	0.2
140.07074	0.1
141.01848	0.2
142.54132	0.1
143.07251	0.7
143.08231	0.2
144.09415	0.2
146.06006	0.5
152.96915	0.2
156.04344	0.1
158.06015	25.4
158.09619	4.6
158.14085	0.2
158.15402	4.7
159.04440	0.2
159.06390	0.8
159.07979	0.1
159.09892	0.1
159.11696	1.0
165.54474	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	158.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98655	0.4
56.96564	16.9
57.03436	0.7
58.06586	0.3
65.50272	0.4
67.05482	0.4
69.03426	0.7
70.06589	1.5
70.44657	0.7
70.44992	0.4
71.04997	0.3
71.95268	3.0
72.04538	0.4
73.02909	0.7
77.02103	0.3
82.61321	0.4
84.08152	1.2
90.01554	0.4
97.02876	0.6
97.18972	0.3
97.96790	0.3
97.99120	0.5
98.01366	0.3
98.09695	0.6
98.97587	100.0
99.97912	0.8
103.00642	0.6
104.52838	0.4
110.01294	0.4
110.97604	0.3
111.01995	0.4
112.07587	0.6
116.98622	68.6
117.98932	0.6
119.01852	1.7
120.02055	0.4
121.01665	2.5
131.00171	0.3
131.01990	0.4
134.99661	29.7
137.02885	0.3
139.02733	1.0
140.00189	2.7
144.03268	0.7
149.01193	0.5
153.00700	2.9
158.01265	2.3
158.09407	0.3
158.11769	7.5
161.01149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96610	0.3
56.96564	14.4
57.97340	0.3
62.08950	0.3
70.94197	0.3
70.94514	0.3
71.95261	2.6
76.14586	0.3
78.68931	0.3
78.70562	0.3
97.99164	0.3
98.97581	100.0
99.97923	0.8
114.65869	0.3
114.95318	0.3
116.98617	70.7
117.98945	0.6
118.03517	0.3
119.01910	0.7
123.95918	0.9
132.96458	1.7
134.03003	0.6
134.99652	31.7
140.00197	2.5
141.96962	4.7
144.47240	0.5
150.97496	0.5
153.00685	3.7
153.47772	1.0
158.01233	2.6
162.48235	0.3
176.02251	0.4
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	Unknow
Peak:m/z	Relative Intensity
56.96563	11.6
70.06203	2.0
70.06589	41.9
70.97205	2.3
71.06909	2.7
72.08150	1.2
72.96052	1.8
74.09711	22.1
75.46931	1.2
83.06078	2.7
83.12567	1.2
84.01540	1.6
84.08118	6.3
86.84209	1.2
95.06100	2.0
96.96901	4.0
98.97564	2.4
103.02440	1.3
105.02117	1.2
106.44357	1.2
110.07166	15.4
111.02116	1.2
112.05248	2.9
119.57578	1.1
123.02602	1.5
130.06302	23.5
131.01889	1.3
132.02034	3.1
132.05107	1.6
133.01649	3.5
133.03439	2.8
140.11099	1.1
144.04906	6.9
146.06659	1.2
149.01172	3.1
151.04544	1.2
153.05452	3.7
154.01785	3.1
156.04204	100.0
157.04568	1.8
165.07349	1.3
167.02272	2.0
172.02826	5.8
173.03236	1.2
174.06181	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87080	0.3
53.00294	0.3
53.03957	0.6
55.01857	0.4
55.05508	1.7
55.93537	0.4
57.03441	1.5
57.07077	100.0
58.07408	1.4
65.03949	0.7
67.05507	3.4
69.03423	0.5
69.07067	1.4
70.06585	0.3
70.75018	0.8
70.75380	0.5
70.95863	2.2
71.05014	1.2
72.08177	0.6
72.93790	40.0
73.93845	0.8
79.05497	0.4
81.07063	2.6
83.04990	1.6
83.08633	0.4
85.06544	5.9
88.96927	0.4
89.15558	0.4
90.94827	10.2
93.07076	0.4
95.04976	4.2
95.06071	0.4
95.08602	3.3
97.06522	0.7
98.98499	0.7
99.04453	0.7
101.16194	0.4
108.95862	1.8
109.02954	0.4
109.06575	0.6
109.10188	1.7
109.33926	0.3
110.06075	0.8
110.07197	0.5
111.04481	1.1
111.08111	0.6
111.98524	0.7
112.08722	0.5
113.02444	0.4
113.06013	0.9
113.96407	21.9
123.04483	1.4
127.03939	0.7
127.07575	0.6
129.99530	0.5
131.97440	18.2
132.95844	1.9
132.97647	0.6
135.63052	0.4
136.42047	0.3
137.02405	0.8
149.97339	0.4
149.98515	0.4
150.96889	4.2
153.07071	0.5
154.99001	2.1
155.03471	0.8
155.07077	2.8
155.08560	2.5
155.10672	0.4
155.14310	3.3
156.06567	0.5
156.08083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.143
Annotation	(+)-2,6-Dimethyloct-7-en-4-one
Peak:m/z	Relative Intensity
53.00302	0.3
53.03953	0.3
55.05507	1.3
56.98435	0.2
57.03444	1.3
57.07075	100.0
58.07408	1.9
67.00749	0.2
67.05504	1.2
69.07072	1.1
69.37057	1.3
69.37460	0.4
70.74976	0.2
70.95898	0.3
71.04988	0.3
72.93787	13.3
79.05508	0.3
81.03446	0.3
81.07052	2.4
83.04988	0.6
85.06541	8.2
86.06912	0.3
90.94825	3.0
93.07059	0.2
95.04962	1.3
95.08605	1.8
97.10188	0.4
98.98494	0.3
108.95879	0.3
109.10191	0.6
111.04458	0.6
111.98519	0.2
112.08752	0.2
113.06010	0.3
113.95645	0.2
113.96395	7.4
115.05466	0.2
123.04442	0.4
131.97437	5.5
132.95834	0.5
135.40329	0.2
137.13295	0.6
139.77826	0.2
150.96901	1.3
154.99074	0.7
155.03435	0.4
155.07042	1.1
155.08498	0.8
155.14284	4.4
155.15550	0.2
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	(+)-2,6-Dimethyloct-7-en-4-one
Peak:m/z	Relative Intensity
52.82486	0.4
53.03945	1.0
55.01861	1.1
55.05510	3.2
55.93511	0.7
57.03423	1.3
57.07074	100.0
58.07393	1.4
60.17511	0.4
65.03908	0.6
67.05501	4.5
69.03418	1.0
69.07063	2.9
70.03262	0.5
70.87866	1.1
70.95861	3.5
71.04984	3.2
71.08638	0.6
72.08154	0.4
72.93785	31.8
73.93829	0.5
79.05489	0.5
80.30294	0.4
81.03403	0.5
81.07045	7.7
83.04969	2.0
83.08617	0.5
85.02859	0.5
85.06538	11.5
88.96872	0.9
90.94828	7.1
91.05460	0.9
93.07040	1.3
95.04967	3.7
95.08604	6.4
97.06503	1.2
98.98466	0.7
99.04450	1.4
99.08064	0.9
108.95863	0.9
109.06491	1.0
109.10166	3.8
110.06022	0.5
110.07151	0.5
111.04423	1.5
111.08108	1.3
111.98469	1.4
113.06002	1.2
113.96394	15.3
123.04413	1.6
127.03855	1.2
127.07557	0.8
131.97437	11.9
132.95833	4.3
137.02357	1.0
137.05951	1.7
137.09569	1.3
137.13252	1.1
138.05530	0.5
140.04643	0.9
141.06949	0.9
150.96877	8.4
153.06976	0.4
154.99043	0.8
155.01520	0.4
155.03410	1.3
155.07010	3.1
155.08504	2.0
155.10600	1.0
155.14299	4.8
155.97348	0.7
156.06517	0.6
168.97992	0.6
173.98529	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1429
Annotation	(+)-2,6-Dimethyloct-7-en-4-one
Peak:m/z	Relative Intensity
53.03930	0.6
53.93174	0.4
55.01871	0.5
55.05501	2.7
55.26780	0.4
56.05018	0.4
57.03437	2.1
57.07075	100.0
58.07401	1.6
65.03957	0.9
67.05505	5.0
68.05054	0.3
69.03439	0.9
69.07077	1.7
70.06591	0.5
70.47184	0.8
70.95868	2.7
71.04990	1.6
72.04520	0.5
72.08163	0.5
72.93787	27.1
73.21338	0.4
79.05506	0.6
80.22460	0.4
81.03406	0.8
81.07056	5.5
81.35950	0.4
83.04989	1.5
83.08658	0.6
85.02945	0.4
85.06544	12.3
88.96892	0.9
90.94822	5.7
91.05506	0.9
93.07040	0.6
95.04976	3.9
95.08611	4.6
97.06551	0.5
98.98512	0.5
99.04466	1.4
99.08115	1.0
108.95892	0.8
109.02911	0.5
109.06548	1.7
109.10152	4.5
110.06085	0.5
110.07187	0.5
111.04470	1.4
111.98492	0.9
113.05995	0.8
113.96398	12.3
113.97165	0.7
115.05466	0.4
123.04482	1.2
127.03934	0.7
127.05469	0.8
129.99561	0.6
131.97441	8.4
131.98389	0.7
132.95842	3.1
136.86452	0.4
137.02316	0.6
137.06052	0.7
137.09639	2.3
138.06662	0.5
140.04738	1.1
141.07047	0.6
145.06540	1.1
150.96886	6.1
153.07016	0.4
154.99065	1.1
155.03497	0.8
155.04941	0.9
155.06055	0.7
155.07086	2.5
155.08580	1.9
155.10634	2.4
155.13060	0.8
155.14360	3.6
155.15392	0.4
156.06543	0.7
171.22900	0.4
173.98451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.143
Annotation	4,6-Dimethyl-4-octen-3-one
Peak:m/z	Relative Intensity
53.00330	0.4
53.03949	1.6
55.01875	2.1
55.05512	5.3
55.93526	1.7
57.03437	2.4
57.07076	100.0
58.07400	1.4
59.05024	0.7
60.04540	0.6
62.34123	0.4
65.03943	1.4
65.26692	0.4
67.05508	9.7
67.05842	0.9
68.05025	0.7
69.03429	1.0
69.04536	0.5
69.07075	4.6
70.06599	0.8
70.95868	6.4
71.01348	0.7
71.04996	5.6
71.06104	0.5
71.08643	1.1
71.52032	0.6
72.08160	0.7
72.93790	56.2
73.93846	0.8
79.05495	2.3
81.03419	1.3
81.04584	0.7
81.07059	14.5
82.06583	0.8
82.07375	0.8
83.04984	3.6
83.08638	1.0
85.06542	17.4
86.09718	1.1
88.96924	1.2
90.94828	15.7
91.05488	0.7
93.07057	1.6
95.04971	7.5
95.08611	10.8
96.05655	0.8
97.04055	0.5
97.06548	0.9
97.07679	0.6
97.10193	0.8
98.98468	0.9
99.04478	2.2
99.08066	2.3
100.07712	0.5
103.55730	0.5
104.77141	0.4
105.04521	0.7
108.95894	3.0
109.02899	1.4
109.06517	3.1
109.07745	0.5
109.10158	5.7
110.06072	1.3
110.07183	1.2
110.09727	0.5
111.04428	3.0
111.08122	2.6
111.98450	2.3
112.08765	0.8
113.05992	3.1
113.07197	0.5
113.08263	0.6
113.09612	0.9
113.96403	26.3
119.08573	0.6
123.04421	2.1
127.03927	2.0
127.07579	1.0
127.08662	0.5
129.99544	1.4
131.97443	23.8
132.95839	6.3
132.97627	0.8
137.02419	0.9
137.05952	0.9
137.09654	2.8
137.13318	1.4
138.05591	0.8
138.06651	1.2
140.04730	1.3
141.06915	0.6
149.97255	0.6
150.96881	12.3
153.07022	0.9
154.99101	1.8
155.03439	2.1
155.07072	7.0
155.08449	2.0
155.10710	2.0
155.11760	0.6
155.13023	0.9
155.14282	6.1
155.97455	0.7
156.10243	1.3
173.98558	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60459	0.7
53.03948	1.8
54.03468	0.7
55.01859	2.3
55.05510	22.3
55.93524	3.2
55.95129	0.7
56.05045	1.8
56.05865	0.8
56.96564	98.6
57.03436	3.1
57.07064	1.8
58.06609	1.2
59.06127	1.1
60.04528	1.4
61.02923	2.5
65.03947	1.1
67.05500	6.1
68.05002	0.7
68.99774	0.8
69.03431	7.0
69.04560	0.8
69.07071	1.2
69.96180	2.9
70.02930	0.8
70.06577	4.6
70.95863	42.4
70.98117	0.8
70.98661	1.2
71.01352	1.2
71.04997	3.1
71.94114	1.2
71.95261	1.9
72.04514	1.0
72.08153	2.5
72.93787	78.6
72.96060	1.9
73.02902	4.1
73.06551	11.6
74.97610	1.6
79.05485	1.5
79.55126	0.7
81.03416	3.8
81.04546	2.4
81.06649	0.7
81.07050	4.1
82.06577	2.7
83.04976	4.3
83.06104	2.1
83.97638	2.5
84.04518	1.1
84.08150	3.2
84.96050	1.8
85.02891	7.3
85.06535	1.0
85.07671	1.0
86.06087	1.6
87.04488	1.4
88.96903	11.1
90.94823	19.1
91.00541	1.1
92.03123	2.4
93.04499	0.9
93.07020	1.0
95.04962	8.0
95.06076	1.7
95.08620	1.7
96.04516	1.5
96.08129	0.9
97.02896	6.0
97.04034	1.7
97.06480	1.1
97.07705	1.0
97.99175	2.0
98.06075	1.2
98.07137	1.2
98.97581	32.1
99.04456	3.9
99.97929	0.9
100.07613	0.8
104.03134	1.1
106.97945	1.5
108.95854	2.3
109.02866	3.6
109.06520	3.2
109.07661	2.5
109.10143	2.7
110.01277	1.4
110.03090	1.1
110.06017	3.9
110.07159	8.7
110.09722	0.9
110.97568	2.7
111.04479	4.9
111.98473	14.9
112.00970	1.0
112.01627	1.1
112.03989	0.8
112.11298	0.8
113.05982	3.3
113.07185	1.2
113.96403	22.6
113.98636	10.8
114.06644	2.4
116.00179	1.6
116.03101	1.0
116.98612	14.3
117.03886	1.8
119.01801	4.2
119.97324	2.7
120.05650	0.9
121.01506	1.8
123.04430	2.4
125.02374	0.7
125.03555	0.7
127.03938	6.1
127.07561	2.3
127.08661	1.4
128.02313	2.1
128.08205	1.2
128.97821	3.0
128.98618	3.3
129.02188	2.0
129.99506	11.6
130.00926	0.8
131.01863	1.9
131.96159	4.8
131.97430	22.0
131.99664	25.3
132.95824	41.9
133.03360	1.0
134.01253	1.4
134.99684	5.7
137.02344	2.5
137.05966	3.8
137.07013	1.2
137.98346	4.3
138.05478	2.3
138.06569	1.4
139.25507	0.7
140.00247	1.1
140.04634	1.4
143.00143	0.8
144.04951	1.1
145.01750	1.3
146.04089	1.0
146.99625	2.1
147.03273	7.4
149.01208	1.2
149.49135	1.2
149.97206	9.9
149.98351	1.3
150.00743	25.8
150.96881	100.0
154.90770	2.0
154.98999	2.4
155.01410	2.4
155.03394	4.1
155.04604	20.8
155.07011	8.4
155.08165	3.9
155.09236	2.5
155.11768	4.6
155.12817	1.1
155.54857	1.9
155.97389	6.1
155.99593	1.1
156.06505	1.1
156.07660	2.1
156.10208	1.9
156.11346	1.0
158.99649	13.6
161.01199	1.3
163.02763	1.4
164.05167	5.1
165.04333	7.1
166.55452	3.0
167.98312	1.0
168.01805	4.0
168.97920	3.9
172.95290	1.3
173.01056	1.5
173.02415	1.8
173.98463	8.0
174.00781	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	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01868	0.6
55.05513	5.8
56.05025	0.9
56.05842	0.8
57.03426	0.4
57.07078	16.9
58.06584	0.5
59.04990	0.6
59.55061	0.3
65.03922	0.9
67.05506	3.1
68.05008	0.7
68.96329	0.5
69.03416	1.1
69.07060	1.3
70.06583	1.3
70.07411	0.4
70.31465	1.1
70.94268	0.4
71.04707	0.2
71.04996	2.2
71.94090	1.3
72.04498	0.6
72.05321	0.8
72.08140	0.6
72.93790	16.9
73.06547	0.5
73.61266	0.3
78.57591	0.3
79.05485	2.6
80.05032	0.6
80.05820	0.9
81.03421	0.3
81.04539	0.4
81.07056	10.1
82.06590	1.6
82.07378	2.5
83.04978	2.1
83.06108	0.3
83.07356	0.6
83.08625	1.5
84.04503	0.7
84.05301	0.9
84.08128	0.9
85.06542	4.1
90.94824	5.2
91.05473	1.3
93.05787	0.7
93.07044	0.6
94.06572	0.4
94.07369	1.2
95.04968	2.4
95.06092	1.0
95.08618	2.1
96.04486	0.5
96.08139	0.6
97.05284	2.3
97.06522	0.9
98.06068	2.5
98.06641	0.5
98.09698	2.0
99.04446	0.9
99.08102	0.7
107.08596	0.6
108.04427	0.3
108.08120	3.0
108.08919	1.5
108.95858	0.7
109.02886	0.3
109.06525	5.4
109.07645	1.1
109.10171	1.4
109.98936	0.3
110.06039	3.9
110.10468	0.6
111.04422	1.1
111.06835	3.4
111.08041	0.4
111.09210	0.9
112.04776	0.5
112.08697	0.7
113.06006	0.6
113.07126	0.7
113.95605	0.5
113.96401	8.7
122.03187	0.5
123.04434	0.8
124.07623	0.4
125.08396	0.6
126.05507	0.8
126.09158	3.6
127.03918	0.5
127.07531	0.4
130.96271	0.4
131.97440	8.9
136.03986	0.5
136.05061	0.3
136.07594	1.9
136.08502	0.4
136.12054	0.9
137.02339	0.6
137.05960	0.5
137.07092	0.4
137.09648	0.5
137.10622	0.4
137.13254	0.3
138.05531	0.6
139.06296	4.3
140.04684	0.4
148.97374	0.9
152.07089	0.5
154.05180	1.9
154.08633	100.0
154.99017	0.9
155.03337	0.4
155.07106	2.0
155.09033	2.2
155.14297	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.65745	1.0
53.03939	2.6
54.45784	0.8
55.01860	2.9
55.05270	1.3
55.05515	19.4
57.03444	5.6
57.07065	4.0
57.90906	1.2
59.05004	9.3
65.03954	9.6
67.05505	18.7
69.03413	6.0
69.06688	1.2
69.07066	21.1
70.94249	3.2
71.05003	10.0
73.06539	3.3
75.77127	0.9
79.05499	19.5
81.06592	2.0
81.07058	35.6
83.04983	28.7
83.08613	6.7
84.08182	1.0
91.05475	12.9
93.02908	1.0
93.03388	6.1
93.07046	75.6
93.48735	1.0
94.07343	1.7
95.04979	6.1
95.08609	54.0
96.08920	1.2
97.06534	49.7
98.20782	1.7
105.07053	5.0
107.04954	6.0
107.08593	100.0
108.08920	3.8
109.06530	6.4
109.07642	1.1
109.10158	45.7
110.03650	1.5
110.07102	1.3
110.10468	1.3
111.04439	17.5
111.07468	1.3
111.08093	11.6
111.11689	1.1
111.96876	1.5
112.08760	1.8
119.06034	1.1
119.08516	1.1
125.05992	7.8
125.09634	4.2
126.48829	1.0
129.97906	1.4
135.04445	2.0
135.08041	4.2
135.11691	56.6
136.03976	1.2
136.07689	1.3
136.08670	1.7
136.12000	2.0
138.03093	1.7
153.01836	2.3
153.05482	7.0
153.09169	5.3
153.11511	2.1
153.12743	60.1
154.04979	2.1
154.08673	2.0
154.13139	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.29520	1.6
53.03935	3.8
55.01868	2.7
55.05510	52.4
57.07068	3.6
59.04989	9.7
59.60888	1.7
60.60060	1.6
60.61956	1.7
65.03925	7.2
65.69731	1.9
67.05503	10.5
68.05026	1.7
69.03423	3.7
69.07062	12.3
69.32506	13.0
69.32921	3.5
70.94223	1.6
71.04991	36.5
72.08147	1.7
73.06558	25.4
79.05493	30.5
81.07053	100.0
83.04974	71.8
83.08612	3.5
91.05476	11.2
93.03398	5.1
93.06480	3.4
93.07038	48.1
93.81245	1.8
94.07333	1.9
95.04987	9.8
95.06092	2.1
95.08601	9.8
97.06516	13.6
98.20761	2.5
105.07031	4.0
107.04945	3.5
107.08593	37.8
108.08849	2.1
109.06505	4.0
109.10151	9.1
111.04482	9.9
111.08087	9.6
112.08681	1.7
121.02858	13.4
121.52420	1.8
125.05974	5.2
135.08046	4.0
135.10818	2.5
135.11688	25.0
136.44145	1.7
138.03162	2.0
138.31262	1.7
145.55812	1.8
153.05434	5.3
153.09093	2.5
153.11594	2.9
153.12756	18.4
154.08588	9.1
165.20006	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00310	2.1
53.03941	8.9
55.01876	2.7
55.05512	52.3
57.03422	5.7
57.07057	5.2
59.05001	9.4
65.03625	1.8
65.03944	29.7
67.01860	2.8
67.05504	21.6
68.99815	2.4
69.03417	8.0
69.07070	27.1
70.94263	13.6
71.01316	2.0
71.04375	1.8
71.04991	38.1
71.53289	2.5
71.94086	3.2
73.06560	22.4
79.05492	37.3
81.03400	2.4
81.07053	100.0
82.04208	2.0
82.07357	3.5
83.04496	3.8
83.04980	67.6
83.08598	5.9
84.08129	1.7
85.06571	2.3
88.95311	3.0
91.05470	18.7
93.03391	11.2
93.07041	56.9
94.07366	2.9
95.04376	3.3
95.04965	46.8
95.08173	1.7
95.08611	19.8
97.02914	3.1
97.06531	25.0
105.04501	2.6
105.07018	7.7
107.04946	15.2
107.08588	59.1
108.08883	2.6
109.06500	10.6
109.10152	21.6
110.03643	7.4
110.07143	2.2
111.04441	46.7
111.08089	18.1
111.96843	8.3
112.08714	4.1
121.02817	3.0
121.06457	4.4
121.31688	2.3
123.06812	1.9
125.05998	19.4
125.09605	5.9
126.09121	2.1
129.97905	5.7
134.68233	1.8
135.04391	8.0
135.06371	21.0
135.08035	7.7
135.11685	31.9
136.03893	1.9
136.07567	2.6
138.03102	4.4
141.20091	1.8
153.01816	7.3
153.04318	2.6
153.05479	20.8
153.06656	2.9
153.09111	18.1
153.11375	5.9
153.12721	35.1
154.04941	4.9
154.08618	10.0
154.12138	2.3
171.02786	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00299	2.4
53.03931	3.6
55.05513	12.5
59.04980	5.2
65.03938	2.1
67.05497	5.0
69.07065	8.5
69.33568	10.8
69.33974	2.3
69.99432	1.5
71.04994	35.2
73.06555	18.1
79.05075	2.1
79.05495	26.4
81.07056	100.0
82.07385	1.8
83.04962	3.1
83.08595	2.4
84.66189	1.2
84.71300	1.5
91.05481	9.9
93.07042	35.6
95.04965	2.6
95.08585	6.6
97.06536	7.8
105.07018	2.9
107.08595	33.2
109.10140	6.3
111.04426	3.7
111.08067	5.5
119.08603	1.9
135.11711	22.2
153.05396	2.5
153.11580	2.0
153.12737	9.4
154.04979	2.9
161.26889	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Perilla alcohol
Peak:m/z	Relative Intensity
53.03928	1.4
55.01850	2.5
55.05271	0.9
55.05512	12.8
57.03440	5.1
57.07061	2.2
59.04987	1.6
65.03664	0.8
65.03941	8.8
67.05505	28.6
67.84734	0.7
69.03413	3.0
69.07069	46.3
69.36623	6.1
70.94254	8.0
70.95849	2.3
71.04999	4.1
71.94097	6.7
71.95248	2.6
73.06547	1.0
79.05491	24.9
80.05835	0.8
81.07056	39.8
83.04978	11.6
83.08612	6.2
85.06523	2.0
88.95302	2.0
88.96912	0.8
91.05489	5.4
93.03397	4.2
93.07039	46.8
94.07339	1.3
95.04960	3.1
95.08606	23.9
97.06527	26.3
98.21594	1.1
105.04558	0.8
105.07040	1.6
107.04948	2.5
107.08590	48.4
107.16679	0.7
108.08929	1.1
109.06500	1.7
109.10155	41.0
110.03629	3.0
110.10500	1.2
111.04468	15.4
111.08083	8.4
111.11699	0.8
111.64245	0.8
111.96883	4.3
111.98473	0.9
112.04765	1.7
112.96704	2.0
117.07002	1.1
123.11678	1.3
125.05992	7.5
125.09621	1.6
126.06329	2.1
127.16161	0.8
129.97897	3.7
130.97704	2.1
135.04431	1.6
135.08063	2.0
135.11688	91.1
136.03911	0.9
136.12027	2.5
138.03159	1.7
138.05048	1.7
152.99483	1.0
153.04271	1.5
153.05446	8.2
153.06400	0.9
153.07553	4.7
153.09270	3.9
153.12738	100.0
154.04984	2.7
154.08607	1.7
154.13094	4.4
154.15891	1.4
169.11830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0705
Annotation	N-METHYLANTHRANILIC ACID
Peak:m/z	Relative Intensity
53.03954	0.4
53.61260	0.2
55.05496	0.2
65.03922	0.3
67.05494	0.4
69.51573	0.6
69.52009	0.6
72.92676	0.1
77.03922	0.4
78.04721	0.3
79.05497	3.8
81.07057	0.4
83.04984	0.4
89.03933	0.2
90.86051	0.1
91.05484	7.0
92.05806	0.2
93.03387	0.3
95.04961	1.1
95.08591	0.2
96.08110	0.2
104.04994	0.2
105.03394	0.7
106.04169	0.2
106.06557	11.9
107.04953	0.6
107.06865	0.2
107.08594	0.2
109.06528	1.3
111.04440	0.5
111.96862	0.2
113.59776	0.2
116.04979	6.7
117.05349	0.2
119.06084	0.5
124.05118	0.1
124.07582	0.2
125.06033	0.2
132.04449	0.7
134.06018	100.0
135.06374	2.6
152.01686	0.3
152.04321	0.4
152.07065	2.0
152.08139	0.2
153.01842	0.2
153.12711	0.2
163.23630	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0568
Annotation	Guanine
Peak:m/z	Relative Intensity
55.02989	0.5
56.96564	1.8
61.99605	0.2
67.52126	0.2
69.03428	0.2
69.91138	0.9
74.97567	0.2
82.04057	0.6
97.51956	0.2
98.97585	0.6
106.06561	0.3
107.03584	0.4
107.04947	0.9
109.05126	1.7
110.03534	11.5
110.97580	1.1
111.03846	0.2
128.04572	5.4
128.98619	1.2
134.04633	1.3
134.06024	1.5
135.03024	18.6
136.01419	0.5
136.03371	0.5
146.99638	0.8
152.05679	100.0
153.04082	32.1
153.05873	1.3
154.02463	0.8
154.04445	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03938	3.3
55.01876	7.6
55.05511	11.8
57.03442	6.0
57.07060	1.7
59.05001	0.9
62.36399	0.8
65.03925	3.0
67.05505	69.8
67.69403	1.0
68.05839	0.9
69.03431	11.1
69.07066	6.7
70.78168	2.8
71.04985	3.8
79.05495	45.3
79.87077	0.9
80.06882	0.8
81.03410	1.3
81.07055	66.4
82.07386	1.0
83.04983	21.2
83.08640	1.1
85.06536	1.9
91.05482	66.8
93.07043	46.8
93.07645	1.8
95.04966	20.6
95.08607	19.4
97.06521	1.6
103.05495	1.2
105.07032	85.9
106.07366	2.1
107.04940	2.1
107.08595	99.6
108.08925	2.4
109.06516	25.4
109.10157	40.2
110.10483	1.9
119.06061	1.7
123.04434	2.8
123.08051	9.1
123.11707	10.5
124.03860	1.0
131.08542	3.6
133.10130	85.8
134.10498	2.7
151.02878	2.0
151.03906	6.1
151.05035	1.7
151.07552	2.8
151.11182	100.0
152.01682	1.7
152.07033	1.5
152.11523	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	151.1117
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03933	4.5
55.01876	5.4
55.05510	21.9
56.67258	0.9
56.96563	1.0
57.03424	3.6
57.07063	4.0
65.03929	3.7
67.05138	1.2
67.05504	35.9
69.03429	100.0
69.07074	5.6
70.00855	2.4
70.01270	2.9
70.03754	1.4
71.04993	13.9
73.20685	1.0
79.05485	19.2
81.03401	4.1
81.07053	89.7
82.07373	3.4
83.04992	2.2
91.04906	1.4
91.05479	25.1
93.07043	35.2
94.04153	1.4
95.01393	1.0
95.04964	29.3
95.08607	22.2
96.05766	5.7
97.06538	8.2
105.04524	1.5
105.07031	31.6
107.04952	1.8
107.08589	31.3
108.05755	1.9
108.08975	1.1
109.06517	56.7
109.10151	18.4
110.07305	1.7
111.04455	1.3
113.74004	1.0
115.05412	1.1
121.10149	1.8
123.03486	1.2
123.04416	2.4
123.08067	19.9
123.11701	15.3
124.07578	1.5
131.08521	1.3
133.06535	1.4
133.10127	18.3
134.06012	1.9
151.02855	2.5
151.03926	4.3
151.07552	4.8
151.11182	38.3
152.01675	3.0
152.07072	4.4
164.53563	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	Piperonal
Peak:m/z	Relative Intensity
52.03169	0.7
53.03950	4.1
55.01874	5.4
55.05497	1.4
57.03426	0.9
64.17184	0.3
65.03612	0.7
65.03941	11.7
67.01871	0.5
67.05506	15.3
68.05009	0.6
68.99792	0.9
69.03433	1.2
69.07056	0.6
70.49664	0.5
70.50013	0.7
71.01341	1.1
71.04983	0.4
76.15805	0.4
77.03932	1.4
78.12302	0.4
79.05486	2.5
80.02626	2.0
81.03411	1.4
81.07051	6.7
83.06129	0.5
85.02892	1.2
91.05497	2.1
91.39824	0.4
93.03421	0.8
93.07047	3.8
93.37003	0.4
95.01320	1.1
95.04968	12.6
95.08610	3.8
105.04514	1.6
105.07039	4.2
107.08591	3.1
108.02098	16.9
109.02874	1.5
109.06535	2.9
109.10142	2.6
110.07165	0.9
111.04443	2.9
111.07960	1.6
112.01575	1.1
121.03993	1.2
123.04407	3.1
123.08064	2.3
123.11716	1.8
133.06474	0.4
133.10130	1.8
136.01569	2.3
141.04393	0.9
141.05469	12.8
151.03909	100.0
151.05046	31.1
151.07391	2.3
151.09833	1.7
151.11192	6.8
152.04260	3.0
152.05330	0.8
152.07124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
52.94418	0.8
53.03941	4.3
55.01863	2.5
55.05513	7.5
58.46332	0.9
65.03939	43.6
66.04273	1.2
67.05502	5.1
69.03423	1.4
69.07065	10.8
71.52929	1.7
71.89907	0.8
79.05489	16.4
81.06601	1.1
81.07059	15.9
82.07398	0.9
83.68542	0.9
91.05482	20.8
93.03413	9.7
93.07043	59.0
94.07353	2.0
95.04980	4.8
95.08611	4.0
98.03658	2.6
103.05454	3.2
105.03391	1.6
105.04511	1.7
105.07030	11.9
106.04172	0.9
107.04980	1.1
107.08589	59.5
108.08871	1.3
109.06500	2.5
111.04424	10.1
119.08565	2.2
121.02859	51.9
121.03968	14.4
121.06503	4.1
121.10139	28.1
122.03186	2.1
122.07132	2.1
122.10503	1.0
131.08549	1.6
133.07654	1.1
134.10893	1.3
139.17845	0.8
149.02339	100.0
149.05978	3.3
149.08429	1.5
149.09633	6.2
149.13254	17.2
150.02699	4.4
167.03384	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	149.1325
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
53.03934	4.4
55.01865	2.1
55.05506	9.8
55.26858	1.0
57.07071	1.1
60.71189	1.2
62.22613	1.1
65.03941	38.9
66.04286	1.3
67.05499	5.8
69.03439	1.5
69.07070	18.6
69.62974	5.9
70.07375	1.4
79.05495	26.9
81.07057	28.2
91.05482	31.5
93.03415	10.1
93.07044	88.2
94.07387	2.5
95.04990	7.9
95.08592	5.9
98.03696	1.3
98.20827	1.4
102.60979	1.0
103.05459	3.2
105.03354	1.2
105.04527	1.2
105.07030	18.4
107.04956	1.3
107.08595	100.0
108.08926	3.8
109.06512	5.7
111.04448	6.9
119.06102	2.3
119.08574	3.0
121.02860	42.1
121.03976	10.8
121.06499	9.3
121.10143	51.4
122.03196	2.3
123.08040	2.7
131.04895	1.3
131.08559	2.0
149.02344	75.2
149.05948	5.3
149.08478	1.9
149.09578	8.6
149.13263	27.5
150.02673	6.2
167.03391	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02373	1.1
53.03947	4.7
55.01862	3.0
56.96549	1.7
57.86045	0.6
58.06600	0.8
65.03941	47.9
66.04234	0.6
67.05499	1.2
68.99780	1.1
70.33641	2.5
74.46303	0.7
76.29417	0.6
78.04727	0.6
79.05492	23.9
80.05018	0.9
81.07047	0.9
83.84372	0.8
85.04023	1.0
91.05479	14.0
93.03406	11.4
93.07040	28.7
94.06547	1.3
95.04967	7.1
95.06088	0.8
95.08652	0.6
98.03679	1.9
103.05468	57.4
104.05786	2.3
104.53165	0.7
105.03384	1.4
105.04513	1.9
105.07010	2.6
106.06533	0.7
107.04948	15.5
107.08570	0.9
109.06513	1.0
110.08418	2.7
111.04451	9.3
121.02865	53.6
121.03965	12.6
121.06496	17.7
121.10147	0.9
122.03196	1.6
122.06014	2.0
122.06855	0.7
122.40655	0.6
123.07918	1.0
123.09216	1.1
131.04927	4.2
131.08525	0.9
133.06456	0.6
149.02345	100.0
149.05984	8.3
149.07080	1.1
149.09612	2.4
149.11620	1.3
150.02663	3.8
150.05530	2.7
150.07755	1.6
150.10268	1.8
150.50580	0.6
167.03389	1.7
167.05556	1.1
169.03394	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	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02373	1.3
53.03719	0.8
53.03948	11.7
55.01875	8.8
55.05505	1.1
65.03941	43.9
65.96642	0.7
66.04268	0.8
67.05518	0.9
68.99774	2.7
69.03415	4.3
69.52692	5.6
73.06552	0.8
74.18956	0.6
77.03921	2.5
78.04694	1.2
79.05083	0.9
79.05502	9.5
81.03417	3.1
81.07052	3.0
82.11111	0.7
89.03921	5.4
89.65372	0.6
91.05482	44.5
92.05798	1.7
93.03401	9.6
93.07044	69.1
94.07366	2.1
95.04375	1.2
95.04967	18.9
98.03661	1.8
98.21494	1.3
103.05470	16.7
105.03390	2.3
105.04513	6.1
105.07029	5.0
106.04171	1.1
107.04992	4.5
107.08587	6.1
109.06485	1.7
109.07637	1.6
110.08419	1.8
111.04430	8.1
117.03407	1.9
121.02868	52.4
121.03976	13.8
121.06506	49.1
121.10105	4.1
122.03185	1.7
122.06062	0.9
122.07003	1.6
123.09174	0.9
129.05547	6.9
131.04924	2.8
131.08557	2.6
133.07675	0.9
134.03683	1.0
149.02348	100.0
149.05981	33.9
149.06958	0.9
149.09619	9.5
149.13303	2.2
150.02679	3.2
150.03734	1.3
150.05391	1.1
150.10231	2.0
167.03410	1.1
169.03531	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.26156	1.3
51.48840	1.2
53.03943	2.4
53.10159	1.3
55.05516	12.2
65.03928	3.3
67.05502	9.0
67.63026	1.2
68.85393	1.3
69.07052	3.3
69.85726	6.4
73.12315	1.3
74.03717	1.1
79.05495	9.8
80.49554	1.3
81.07059	5.8
91.04909	3.0
91.05486	60.0
93.07055	7.2
95.04921	1.5
98.20857	2.4
103.00832	1.3
103.05490	3.8
105.07035	100.0
106.07363	3.8
107.08601	3.2
112.42052	1.4
114.12804	1.3
117.07011	10.9
119.04934	9.4
119.08585	71.3
120.08948	1.6
123.96479	1.2
131.08557	1.6
132.09322	3.6
142.30513	1.3
145.10150	5.4
147.04433	7.2
147.05481	1.6
147.10515	2.4
147.11694	50.6
148.12059	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
52.50336	0.8
52.96899	0.9
53.03941	1.8
55.05513	10.3
64.92796	1.2
65.03938	1.9
67.05496	8.6
69.07056	4.2
71.82580	0.8
79.05075	1.3
79.05492	14.2
81.07066	5.2
91.05478	60.5
92.05816	3.2
93.07036	7.4
95.04967	2.1
98.21497	2.4
103.05491	4.4
104.06238	0.9
105.04530	1.8
105.07029	100.0
106.07354	4.0
107.08582	2.4
117.07023	7.4
119.04948	9.5
119.08578	64.7
120.08909	3.3
123.96452	2.8
132.09317	1.9
133.89230	1.0
145.10127	4.4
147.04434	5.7
147.08028	1.9
147.11685	44.1
148.12021	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	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.7
64.92802	1.2
65.03920	1.2
67.05511	5.4
69.07056	3.4
69.84193	5.3
78.77531	0.8
79.05481	9.6
80.37749	0.8
81.07056	3.9
91.05481	48.1
92.05807	1.5
93.07039	4.6
95.04960	1.8
100.88113	0.9
103.05470	4.0
103.85520	0.9
104.06258	1.3
105.07031	100.0
106.07368	3.0
107.08617	4.7
116.06226	1.0
116.91460	1.0
117.07024	12.3
119.04964	8.1
119.08582	76.2
120.08907	2.6
123.96433	2.0
130.07809	1.1
131.08551	0.9
132.09337	3.3
133.42265	1.1
145.10124	5.6
147.04436	5.4
147.07993	1.4
147.11688	48.5
148.12044	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	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.50940	0.5
56.81437	0.4
57.58339	0.5
65.03942	14.8
69.34900	0.4
70.72955	1.2
72.22449	0.4
79.01856	0.8
85.06568	0.5
91.05482	100.0
92.05809	1.5
100.66515	0.5
103.05504	0.9
105.07009	0.8
119.04942	25.8
119.08580	1.1
139.82750	0.5
147.04410	86.6
148.04723	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	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03955	0.6
55.05508	0.6
58.51999	0.4
63.02366	0.6
65.03938	11.7
68.27178	0.4
68.41718	0.4
69.29696	2.7
69.30116	1.1
88.03601	0.5
91.05477	100.0
92.05809	1.9
97.53650	0.4
98.20817	0.9
105.07030	4.9
109.30949	0.5
117.07000	0.7
119.04936	92.4
119.08578	4.7
120.05260	2.8
145.10089	0.6
147.04404	37.4
147.08018	0.7
147.11699	2.5
148.04767	1.2
156.74640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05471	0.7
58.20345	0.6
64.21498	0.6
64.92814	0.7
65.03935	15.7
77.03873	0.6
79.01851	1.2
79.71738	0.6
91.05479	100.0
92.05813	1.9
103.05467	0.7
105.06992	1.9
114.67088	0.6
119.04935	26.2
119.08581	2.7
120.05255	0.9
123.96434	1.9
127.97333	0.6
147.04408	81.6
147.11719	1.5
148.04758	2.2
160.26610	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46784	0.6
52.57132	0.6
56.37747	0.7
65.03940	17.7
69.25028	5.5
69.25431	1.6
70.11149	0.7
79.01855	1.0
83.44221	0.8
91.05479	100.0
92.05804	2.2
105.07022	5.8
117.07000	1.2
119.04940	24.9
119.08546	5.0
120.04342	0.8
120.05280	0.8
123.96397	1.5
128.21747	0.6
147.04408	69.5
147.11685	2.0
148.04771	2.2
160.73419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1652
Annotation	Spermidine
Peak:m/z	Relative Intensity
52.91211	0.4
53.14051	0.4
53.83457	0.4
55.05507	0.5
56.96569	0.9
58.06604	9.4
64.92808	0.5
65.03945	0.8
65.20356	0.4
70.06583	0.6
70.76593	1.0
72.08157	100.0
73.08493	1.6
75.09253	3.4
83.01283	0.4
84.08147	15.1
85.08489	0.5
86.06124	0.5
91.05482	8.7
100.07631	0.5
105.07067	0.5
112.11245	23.8
113.11599	0.8
118.06570	1.1
119.04945	6.2
128.04993	1.4
128.07137	0.4
129.13885	3.9
146.06030	5.2
146.08118	1.5
146.10699	0.5
146.16542	1.7
146.48274	0.4
147.04410	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	146.06
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
59.73317	0.5
65.03944	0.9
70.34719	0.9
70.35082	2.0
71.93079	0.6
72.08153	2.2
74.43091	0.6
82.35432	0.7
91.05486	30.2
95.04987	0.8
98.20890	0.8
103.05463	0.6
117.05779	7.1
118.06548	100.0
119.04944	1.7
119.06883	4.2
128.04974	20.8
129.05331	1.1
144.80371	0.7
146.06015	68.1
147.06383	2.8
149.86194	0.7
155.84607	0.6
161.01297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64277	0.7
53.03932	1.8
53.32287	0.8
58.06605	0.7
62.92987	5.3
67.05497	1.7
69.03411	1.4
69.70898	3.2
69.71303	1.1
71.04972	2.4
72.08138	3.1
77.95191	0.7
79.05478	2.2
81.03410	2.0
85.02892	1.3
85.08484	0.8
87.19725	0.7
91.05481	18.1
97.02876	0.9
99.04455	6.0
100.07578	1.0
103.05473	3.6
105.07031	66.9
106.07349	1.8
106.11759	0.7
115.05459	9.0
116.06209	3.3
117.07014	30.5
118.06544	3.9
119.35217	0.7
121.95988	0.7
121.96652	7.7
127.03883	1.1
128.04973	0.8
128.06201	5.8
129.07007	12.8
130.07787	44.2
131.08099	2.1
143.08560	12.0
145.03825	0.9
145.06425	1.8
145.10114	100.0
146.05983	6.4
146.10439	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	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01857	3.4
57.03426	1.7
58.06580	2.0
59.06916	0.9
62.92986	1.4
67.05488	2.1
69.03436	5.8
69.69470	1.6
69.69877	3.1
71.04986	5.9
72.08157	6.9
79.05468	2.1
81.03406	1.9
84.08116	1.3
85.02893	6.2
86.06048	1.0
86.09673	2.0
87.04420	0.8
89.03886	3.4
91.03553	0.7
91.05476	19.9
91.17348	0.7
93.76003	0.8
95.04923	0.8
97.02879	2.6
99.04454	11.9
100.07590	0.9
103.05431	4.7
105.07029	62.2
106.07345	1.3
115.04700	1.2
115.05457	13.6
116.06197	2.8
117.03362	2.0
117.07017	39.3
118.06562	9.3
118.07341	1.7
118.97930	0.7
121.00819	0.7
121.96631	3.2
127.03931	2.2
128.06241	5.3
129.07008	9.7
130.07780	43.8
131.04877	0.8
143.08572	9.2
145.02852	1.3
145.03944	1.9
145.05066	1.3
145.06487	12.0
145.10110	100.0
146.06010	11.0
146.10518	5.6
155.06053	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	144.1018
Annotation	D-proline betaine
Peak:m/z	Relative Intensity
54.27351	0.1
55.05502	0.4
58.06598	10.4
60.08142	0.2
62.44124	0.2
62.92991	2.5
63.64709	0.2
69.67892	1.1
70.06573	0.5
71.04994	0.4
72.08138	0.6
78.03727	0.1
80.94034	0.1
83.04986	0.3
84.04540	0.1
84.08140	9.9
85.02890	0.2
85.04011	0.2
85.08459	0.2
95.25555	0.1
98.06013	0.2
98.09705	0.9
99.04446	0.8
102.05526	1.3
102.06608	0.2
103.95573	0.3
109.51701	0.2
111.07961	0.2
121.96641	9.3
144.10193	100.0
144.98210	1.6
145.10564	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	144.1018
Annotation	D-proline betaine
Peak:m/z	Relative Intensity
50.38778	0.1
54.45902	0.1
54.53951	0.1
55.05507	0.3
56.05036	0.2
58.06596	9.6
59.05002	0.1
59.06115	0.1
59.06929	0.1
59.42065	0.1
59.42361	0.1
60.04514	0.1
60.05640	0.1
60.08144	0.1
62.65685	0.1
62.92989	3.0
69.04577	0.1
70.06596	0.4
71.01986	0.2
71.04991	0.4
71.07371	0.2
72.08157	0.7
74.06073	0.1
80.94022	0.1
82.06561	0.1
83.04963	0.1
84.08140	9.3
85.02895	0.3
85.04017	0.1
85.06544	0.2
85.08479	0.1
86.06081	0.1
96.08115	0.1
98.06049	0.3
98.09695	1.0
99.04456	0.6
101.06012	0.1
102.05535	1.7
102.06561	0.1
103.95592	0.3
105.07008	0.1
111.07949	0.2
112.05022	0.2
116.10684	0.1
121.96641	8.7
128.07098	0.1
144.10191	100.0
144.98212	2.3
145.10555	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	144.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
58.06601	10.2
65.70554	0.2
71.04989	0.2
71.15414	0.2
71.15770	0.3
72.08145	0.4
83.04970	0.2
84.08141	9.8
85.08521	0.2
98.09702	0.5
99.04457	0.5
102.05534	1.6
139.66010	0.2
144.10197	100.0
145.10571	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	144.102
Annotation	D-proline betaine
Peak:m/z	Relative Intensity
53.03963	0.2
55.05510	1.3
56.05033	1.0
57.03440	0.5
58.06600	35.6
59.05004	0.3
59.06138	0.2
59.06929	0.6
60.04523	0.6
60.21945	0.1
62.92991	6.6
66.03720	0.1
67.05495	0.2
68.05010	0.2
69.03407	0.2
69.96992	0.7
70.06583	1.4
71.04995	1.3
71.07360	0.4
72.08157	2.1
73.02951	0.1
74.06081	0.4
80.93990	0.2
81.03418	0.4
82.06558	0.2
83.04973	0.5
84.04504	0.3
84.08142	30.6
85.02905	2.0
85.06557	0.2
85.08475	0.7
98.06059	1.1
98.09692	2.4
98.41003	0.2
99.04456	2.2
101.06026	0.2
102.05544	5.3
102.06579	0.2
103.95627	0.5
104.40909	0.2
105.07008	0.3
111.07971	0.2
116.10733	0.4
117.07040	0.3
121.96640	8.6
128.07056	0.4
144.03720	0.5
144.10196	100.0
144.98227	1.3
145.10553	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	144.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58638	0.2
53.21648	0.2
55.05509	0.6
56.05040	0.3
58.06599	13.5
69.81918	0.7
69.82324	0.4
70.06601	0.2
71.04995	0.5
72.08158	0.8
81.03419	0.3
83.04955	0.2
84.08142	12.5
85.08472	0.3
98.09696	0.9
99.04457	0.6
102.05531	2.2
102.96887	0.2
104.97003	0.2
116.10731	0.2
142.86412	0.2
144.10196	100.0
145.10539	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	144.102
Annotation	D-proline betaine
Peak:m/z	Relative Intensity
55.05510	0.8
56.05044	0.3
56.74741	0.1
57.03436	0.1
58.06599	18.5
59.04997	0.2
59.06925	0.2
69.44305	0.5
70.06589	0.6
71.04988	0.5
71.07375	0.1
72.08157	1.1
74.06064	0.1
77.74954	0.1
82.06591	0.1
83.04980	0.3
84.08141	15.9
85.02925	0.1
85.08491	0.3
86.09726	0.1
98.09695	1.5
99.04441	0.7
100.07623	0.1
101.06032	0.1
102.05538	2.7
103.97823	0.1
106.24303	0.1
109.35136	0.1
116.10738	0.1
119.01873	0.1
128.07030	0.2
144.10194	100.0
145.10544	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	144.0808
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
51.47168	0.3
51.93203	0.3
53.03941	0.7
55.05518	0.4
56.05020	0.4
58.06356	0.4
58.06603	5.6
59.06112	0.6
59.06914	0.4
69.03422	0.9
70.06577	0.8
71.04991	0.9
71.05402	0.7
72.08143	0.9
74.06064	0.3
82.82796	0.4
84.04509	0.5
84.08147	5.1
85.02896	1.4
89.03930	0.7
91.05482	3.4
95.04951	0.5
98.06068	1.0
98.09666	0.4
99.04464	1.8
101.07131	0.4
102.05548	0.7
103.05463	3.5
105.07071	0.5
109.07618	0.4
115.05460	7.5
116.04990	0.7
116.06273	0.6
116.20084	0.4
117.05802	3.1
117.07014	21.4
118.06570	0.6
118.07337	0.7
121.96656	0.7
124.65120	0.4
127.03889	0.5
127.05463	1.0
128.04991	1.9
128.06250	0.8
129.05716	0.5
130.07675	0.6
134.06001	0.4
142.06509	0.6
143.07306	15.9
144.03729	1.1
144.08089	100.0
144.10159	31.7
145.06503	4.8
145.08441	4.6
145.10246	1.4
146.06081	0.9
155.06055	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	144.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85509	0.3
55.01882	0.4
56.96475	0.4
57.03417	0.5
58.06601	3.9
60.04514	0.4
62.92947	0.7
63.02361	0.9
67.81950	0.3
70.03741	0.3
70.06586	1.8
70.48634	1.1
71.04979	1.0
81.03405	0.6
84.08139	4.4
85.02901	2.1
89.03923	2.9
89.44753	0.3
91.05476	4.2
94.19701	0.3
98.06046	1.8
99.04434	2.2
102.05537	0.8
102.96841	0.4
103.05463	3.7
105.07016	1.0
113.02958	0.4
115.05453	9.6
116.04991	0.9
116.06278	0.7
117.05822	2.2
117.07018	22.3
118.06546	0.9
118.07353	0.9
121.00751	0.5
121.96619	1.2
126.05524	0.4
127.03918	0.5
127.05383	0.9
128.04951	1.5
128.06215	1.0
129.05707	0.4
129.06923	0.4
130.07832	0.9
139.01816	1.7
142.06467	0.9
143.07303	17.1
144.03717	1.3
144.08083	100.0
144.10118	18.8
145.02867	1.6
145.03912	0.4
145.06502	6.1
145.08420	4.8
145.10095	1.9
146.05954	0.9
155.06029	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	144.0807
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
53.03936	0.6
55.01875	0.6
56.05030	0.4
57.03428	0.8
58.06599	5.1
60.04514	1.1
62.92979	1.6
67.04218	0.5
69.03430	0.8
69.41432	3.2
70.06599	3.5
71.01337	0.4
71.04997	1.6
72.08126	0.5
76.73811	0.4
78.99757	0.5
81.03433	0.6
82.06477	0.3
84.04494	0.8
84.07694	0.5
84.08145	5.0
85.02909	5.9
85.06519	0.3
86.43544	0.4
91.05494	4.0
95.04993	0.7
97.00807	1.3
97.02925	0.5
98.03207	0.6
98.06056	5.4
98.09690	1.1
98.21633	0.4
99.04446	3.4
102.05550	1.2
103.05470	3.6
104.04973	0.4
104.94148	0.4
105.07011	2.6
106.49386	0.4
113.02938	0.7
115.05452	8.7
116.04959	0.8
117.05804	2.5
117.07018	22.3
118.06582	0.6
118.07361	0.9
120.96500	0.5
120.97900	1.2
121.00777	1.7
121.96633	4.0
126.02738	0.5
126.05555	1.0
127.05447	0.7
128.04933	1.9
128.06248	0.8
129.06993	0.4
130.07788	1.4
134.06024	0.4
138.98956	0.7
139.01816	5.0
142.06520	0.5
143.07317	15.4
144.03696	3.6
144.08087	100.0
144.10144	23.3
144.13846	0.8
144.98225	0.4
145.06557	4.0
145.08443	4.9
145.10117	4.4
146.06001	1.1
155.06035	4.0
162.03513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0806
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
53.03939	0.5
55.01860	0.4
55.05489	0.5
56.05037	0.4
57.03422	1.1
58.06601	3.1
60.04517	1.5
62.92976	1.3
69.03423	0.5
70.03751	0.3
70.06585	2.5
71.04979	1.0
71.52560	0.4
74.06065	0.4
78.99755	0.5
84.04488	0.7
84.08139	3.8
85.02430	0.7
85.02904	6.5
86.03219	0.3
86.54696	0.3
88.07669	0.5
89.03899	0.4
91.05486	3.6
91.83993	0.3
94.97140	0.4
95.04940	0.4
97.00800	1.1
97.02910	0.5
98.06045	4.4
98.09697	1.0
98.66341	0.4
99.04453	3.1
102.05523	0.6
102.09180	0.5
102.96874	0.4
103.05460	2.8
105.07030	3.5
113.02982	0.5
115.05453	7.5
116.04985	0.4
116.06287	0.7
117.05821	2.2
117.07015	23.1
118.07368	0.7
120.96519	0.6
120.97928	0.7
121.00809	0.9
121.96649	2.9
126.05516	0.9
127.05436	0.9
128.04993	2.0
128.06221	1.1
129.07022	0.8
130.07785	2.1
138.98961	0.5
139.01811	3.4
143.07312	14.6
143.08424	0.6
144.03741	2.5
144.08081	100.0
144.10071	12.8
145.06493	4.4
145.08438	3.7
145.10121	6.5
146.05904	0.5
155.06036	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	144.0808
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
50.24401	0.4
50.62904	0.4
53.03931	0.4
56.05014	0.3
58.06595	1.2
70.06594	0.6
70.50815	1.0
84.08143	1.4
85.02916	0.7
91.05477	3.1
95.04990	0.4
98.06042	0.6
103.05466	3.2
105.07020	0.4
107.09530	0.3
115.04679	0.7
115.05454	6.8
115.06274	0.4
116.04993	0.6
117.05796	3.1
117.07021	19.3
118.06618	0.6
118.07346	0.6
121.96619	0.4
127.05452	1.0
128.04944	1.6
128.06236	0.5
130.07785	0.3
134.05968	0.5
139.01846	0.7
142.06560	0.5
143.07309	14.8
144.08089	100.0
144.10196	6.5
145.06522	3.9
145.08401	3.9
145.10184	0.6
146.06015	0.9
155.06050	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	144.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
56.04999	0.4
57.03431	0.7
58.06602	4.1
60.04527	0.7
62.92970	0.9
63.94464	0.3
63.97346	0.3
69.03442	0.8
70.06602	1.7
70.68189	0.5
70.68528	0.7
71.04990	1.1
77.54363	0.3
84.04509	0.6
84.08151	3.9
84.33176	0.3
85.02907	2.9
91.05480	4.2
97.00809	0.5
98.06063	2.2
98.09669	0.9
99.04442	1.8
102.04705	0.5
102.05533	0.8
102.96880	0.5
103.05488	3.3
104.04936	0.4
105.07022	1.4
109.86690	0.3
115.05457	8.0
116.04993	0.6
116.06254	0.5
117.05819	2.7
117.07019	22.6
118.06564	0.7
118.07344	0.7
121.00773	0.7
121.96623	1.4
126.02641	0.3
126.05519	0.4
127.05432	0.8
128.04968	1.9
128.06197	0.5
129.06999	0.4
130.07764	0.9
134.05986	0.4
139.01831	2.1
143.06406	0.3
143.07304	17.1
144.03758	1.8
144.08086	100.0
144.10048	12.2
145.05330	0.5
145.06509	4.2
145.08420	4.8
145.10083	2.3
146.06046	0.6
155.06049	4.1
162.03458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95854	36.0
69.25258	5.4
69.25594	35.7
75.94529	5.0
89.51597	5.6
92.14112	3.2
101.00842	5.8
102.00986	10.1
102.96871	100.0
103.00639	17.4
105.34444	3.3
106.68798	3.7
119.01923	20.5
120.02028	65.4
120.03274	8.7
120.97910	90.4
121.01666	79.2
121.02454	6.6
137.02953	5.2
138.03093	37.7
138.04172	5.3
138.49901	15.9
138.98953	42.5
138.99930	7.1
139.02675	26.3
143.05212	3.4
144.03230	19.9
150.00693	9.6
162.04318	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	143.9949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
55.05496	0.9
56.05024	0.6
56.96567	10.0
56.96849	0.7
57.03444	1.6
57.03664	0.3
58.06598	15.7
59.05014	0.3
59.06110	0.5
59.07381	0.7
60.04518	0.7
60.05641	0.6
60.08163	0.6
60.95849	8.7
61.02926	0.6
62.92976	0.4
63.89482	0.3
69.03416	1.1
70.06591	3.6
70.98108	1.0
71.04990	0.9
71.27496	0.5
72.08143	1.9
73.02901	0.6
75.94535	1.4
81.03413	0.3
83.00789	0.6
83.04969	0.3
83.06102	0.4
84.01530	0.4
84.04487	0.9
84.08142	21.5
84.96039	0.8
85.02895	2.7
86.06059	0.3
86.09693	1.2
88.99162	0.4
89.00785	0.8
90.01547	0.5
95.00749	0.5
97.00824	0.3
97.02873	0.7
98.01295	0.6
98.06056	1.4
98.09708	1.9
98.97585	3.7
99.04443	1.2
99.05589	0.4
101.00838	0.4
102.00959	0.9
102.05549	2.2
102.96866	20.7
103.00657	0.6
104.01315	0.5
105.02078	0.3
110.01254	0.3
110.97571	0.5
113.02953	1.8
116.07073	0.7
116.98618	2.2
119.01885	1.7
120.02019	3.2
120.97906	19.8
121.01660	3.2
121.61526	1.2
121.96633	0.8
126.03738	1.1
126.05444	0.3
128.98618	0.7
134.99677	0.8
137.02953	0.4
138.03091	0.9
138.04276	0.3
138.98929	11.5
139.01793	0.7
139.02739	1.2
143.99504	0.6
144.03735	0.7
144.04784	4.3
144.10194	100.0
144.61826	0.6
144.92175	0.3
146.99626	0.8
156.99971	2.2
161.01163	0.3
162.00595	0.9
162.04398	0.4
163.02696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61450	1.2
55.01878	3.6
55.05516	10.3
56.05029	1.4
57.07079	9.3
58.06599	12.1
59.04987	4.0
59.06123	2.4
60.47940	1.2
67.05507	6.7
69.03432	12.7
69.04544	1.4
69.07058	3.1
70.06613	5.9
70.66999	1.9
70.67331	2.5
71.04997	60.3
72.08144	2.7
73.06568	5.9
74.06057	1.7
79.05488	3.7
81.07065	3.0
83.04986	6.1
83.08617	4.7
84.04493	2.7
84.08146	13.5
85.02900	3.5
85.06543	23.3
86.09658	1.2
91.05473	4.2
97.02886	11.1
97.06531	2.8
97.07654	2.3
97.10162	5.3
98.06036	5.4
101.07142	3.3
102.05584	2.0
107.08591	13.3
115.05452	8.6
117.05776	2.2
117.07021	20.3
119.01955	2.6
125.02351	11.9
125.09627	7.3
128.06224	10.5
139.01791	1.3
142.06421	1.3
143.03401	97.0
143.07294	21.8
143.08437	4.1
143.10742	1.8
144.03725	1.9
144.08096	100.0
144.10190	90.4
145.06502	4.5
155.06059	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	143.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.8
55.05510	9.6
57.07079	10.0
58.06599	7.4
59.05001	1.5
60.04526	1.9
67.05505	6.5
69.03434	12.3
69.07075	2.9
69.87567	5.3
70.06584	3.2
71.04993	52.2
73.06554	5.6
77.62059	1.1
79.05485	2.5
81.07060	2.4
83.04984	6.2
83.08617	5.3
84.04523	1.3
84.08140	7.0
85.02880	3.2
85.06546	24.1
91.05474	1.3
97.02903	9.8
97.10177	6.4
98.06046	3.6
107.08595	16.2
113.03004	1.4
115.05447	2.2
125.02369	11.9
125.09638	12.8
128.06216	21.4
129.07025	1.4
141.06927	1.5
143.03394	100.0
143.08546	7.1
143.10681	4.0
144.03754	2.2
144.06610	2.2
144.08099	3.7
144.10196	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96306	1.2
56.96564	21.4
57.09819	1.1
60.71536	1.2
71.33424	1.7
71.33765	1.4
71.95251	4.0
98.97583	100.0
110.40752	1.3
116.98618	87.9
134.98654	2.2
134.99658	41.5
140.00163	4.0
153.00702	5.1
158.01256	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	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38093	0.4
56.96567	31.2
70.47643	1.8
71.95267	6.7
98.97587	100.0
99.05502	0.5
116.98623	71.7
134.99658	34.9
140.00180	2.9
153.00696	4.4
158.01236	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54450	10.0
69.80781	45.9
78.16109	8.9
83.01260	9.1
101.00904	17.0
118.03465	11.2
119.01917	100.0
137.02960	34.1
142.03506	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54450	10.0
69.80781	45.9
78.16109	8.9
83.01260	9.1
101.00904	17.0
118.03465	11.2
119.01917	100.0
137.02960	34.1
142.03506	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	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25421	0.8
56.21446	0.7
56.96566	20.1
58.88216	0.6
67.20820	0.6
71.03066	0.8
71.03417	1.1
71.95267	4.5
98.97583	100.0
99.97919	0.9
116.98618	90.6
117.98927	1.0
126.12971	0.8
134.99654	44.0
136.00003	0.9
140.00191	3.0
149.95583	0.6
153.00740	5.2
158.01250	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	139.0389
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
51.02376	1.3
53.03947	11.3
54.03457	0.5
55.01862	2.1
55.05500	1.7
56.05027	1.7
56.96553	2.1
57.93555	0.7
58.06597	0.6
59.06118	1.0
65.03940	5.8
67.05497	4.0
68.05025	0.7
68.99802	0.6
69.03415	2.2
69.04542	0.6
69.07057	1.5
69.94640	0.8
69.95049	2.4
70.06591	1.4
71.06118	1.1
77.03930	2.2
79.05476	1.4
80.05023	0.5
81.03397	1.5
81.04528	1.3
81.07058	0.7
82.02931	0.7
83.01336	1.7
83.04985	2.1
83.06103	1.7
84.04465	0.6
91.05451	0.8
93.03412	0.9
93.07050	2.2
94.06563	1.1
95.04965	100.0
95.08592	1.9
96.05293	2.4
96.05735	0.6
97.06525	3.1
97.07559	0.6
97.91432	0.5
98.07172	3.7
98.97586	2.8
98.98483	2.7
99.05596	1.0
105.04514	4.7
111.04443	7.7
111.08038	1.2
112.07571	0.6
112.08723	0.8
113.07116	0.6
116.97211	1.0
116.98597	2.8
121.02863	57.1
121.03933	3.7
121.10179	1.1
122.03213	1.5
122.06218	0.6
122.07142	3.1
122.07919	0.6
123.05540	2.5
123.79066	0.5
125.02350	0.8
134.99663	2.0
139.03906	13.6
139.04884	0.5
139.07516	2.3
139.08711	0.9
139.09746	4.0
139.11197	2.6
140.07149	0.8
140.08182	3.5
141.06534	0.8
149.41466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.67318	1.0
53.03930	0.9
53.11406	0.9
53.23889	1.1
65.03937	1.5
66.04714	7.3
70.08738	4.2
79.05486	3.6
81.07050	3.1
81.64412	1.0
87.92924	1.0
91.05471	3.7
94.04185	48.6
95.04969	1.1
102.51733	1.1
107.04949	1.7
122.03645	69.9
123.04021	1.4
137.05977	100.0
138.06310	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	137.1325
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
55.05508	6.9
57.07086	9.9
57.07590	1.5
57.73521	1.6
59.82624	1.3
63.08058	1.7
67.05505	25.1
69.07066	8.6
69.77149	3.4
69.77560	5.9
79.05488	7.3
81.07056	61.8
81.07533	3.6
93.07030	6.8
95.08608	100.0
96.08936	3.8
105.11277	1.3
109.10143	5.3
120.68231	1.5
130.32051	1.4
137.13222	9.3
159.65009	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
51.02371	0.9
52.29133	0.5
53.03949	2.1
55.01878	0.7
55.05511	7.2
57.07077	11.0
65.03951	2.4
66.04724	4.7
67.05506	29.3
68.05032	0.5
68.05824	0.8
69.05355	0.5
69.07071	8.0
71.08627	0.9
72.04508	0.5
77.03916	0.5
79.05492	12.9
81.03423	1.5
81.07056	67.7
82.06609	0.6
82.07393	2.2
85.00407	0.5
91.05487	6.8
93.07043	8.5
94.04189	28.9
95.04460	1.2
95.04580	0.7
95.05013	3.2
95.08608	100.0
96.08941	3.5
97.06401	2.0
105.04539	0.6
107.04942	2.5
107.08601	1.0
108.09431	0.7
109.02879	0.6
109.06503	3.9
109.09464	1.0
109.10155	10.3
110.06078	0.9
110.07168	1.6
111.05586	0.5
116.75083	0.5
119.04969	0.5
119.08609	1.1
120.04503	0.5
122.03651	40.8
122.07254	2.6
123.04005	1.6
137.02525	2.6
137.05975	65.3
137.09602	5.5
137.13249	10.7
138.01749	0.6
138.05452	1.8
138.06398	3.7
138.09177	0.7
138.10161	0.8
138.13599	0.6
141.66862	0.5
149.36758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02375	0.4
53.03947	2.0
55.01883	1.4
55.05509	0.5
57.07085	1.1
65.03953	1.6
66.04726	6.5
67.05506	6.3
69.03432	0.9
69.07081	1.1
69.41884	3.5
79.05496	7.2
81.03432	0.6
81.07061	13.4
82.07383	0.5
91.05490	6.6
93.07047	2.7
94.04189	48.1
95.04461	0.9
95.04998	3.6
95.08606	15.9
96.08926	0.5
98.21609	0.8
100.89892	0.4
102.26797	0.5
105.03396	0.9
107.04971	2.5
109.06519	4.1
109.10160	2.5
110.06055	1.0
120.04521	0.5
121.02915	0.6
122.03653	61.7
122.07307	1.6
123.03994	1.6
135.04466	0.5
137.02538	4.9
137.05975	100.0
137.09578	3.8
137.13235	1.7
138.01711	1.3
138.05481	1.9
138.06398	3.4
138.09117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0758
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
53.03938	0.4
55.05512	0.4
56.72556	0.3
65.03934	0.6
67.02967	0.4
67.05492	0.7
68.05033	0.7
69.03383	0.3
69.93643	1.2
70.06565	0.2
74.54219	0.2
77.86777	0.2
79.05487	0.5
80.05019	0.8
80.05799	0.2
81.04520	0.6
81.07053	1.3
82.04075	0.2
82.06590	0.3
91.05479	44.8
92.02488	0.7
92.05795	1.2
93.05795	0.5
93.07044	0.7
94.04057	3.7
94.06566	0.8
95.04993	0.6
95.06094	0.8
95.08602	1.1
96.06875	1.0
97.06400	0.5
101.92230	0.2
107.04950	1.7
108.05312	0.3
108.08109	1.4
109.01094	0.6
109.05116	0.6
109.06524	2.2
109.07612	1.3
110.07154	0.7
111.85136	0.2
112.05061	0.3
117.05764	0.4
117.31966	0.2
118.06555	3.3
119.03565	9.9
119.04925	11.4
120.05335	0.3
122.03654	0.4
136.02179	8.8
136.06183	100.0
136.07533	10.5
137.02350	0.6
137.03540	0.5
137.04593	7.1
137.05768	0.6
137.06718	1.5
137.08125	0.6
137.09586	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.9
55.01865	1.3
55.05515	14.6
57.07056	1.2
65.03943	2.4
67.05139	1.2
67.05505	21.7
69.07047	6.6
69.48286	2.4
69.48701	6.0
77.03915	1.6
79.05493	59.1
80.05812	1.7
81.06590	1.8
81.07051	21.3
91.05477	35.9
93.07042	100.0
94.07361	2.5
95.04958	10.1
105.04515	2.9
105.07024	13.4
107.04939	2.8
107.08588	79.0
108.08902	2.8
109.06509	4.5
115.05530	1.4
119.03558	2.2
119.06104	2.3
119.08588	5.6
120.09363	2.1
125.06112	1.1
133.10126	2.8
135.03252	1.0
135.04425	2.2
135.08081	2.6
135.11693	52.9
136.02161	21.2
136.03876	1.4
136.06181	6.4
141.88727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
52.29346	0.1
55.02983	0.1
56.96565	0.8
67.02985	0.3
68.59023	0.1
70.06572	0.6
71.06913	0.4
71.51275	0.1
91.05486	3.9
92.02483	0.4
94.04050	3.5
95.69879	0.1
98.97617	0.2
100.02462	0.2
107.04939	0.1
109.05104	0.6
112.05087	0.4
113.00866	0.5
118.06541	0.2
119.03551	8.8
119.04823	1.0
120.03885	0.2
131.01910	2.7
132.02106	0.2
132.69325	0.1
136.06183	100.0
137.04585	6.8
137.05634	0.2
137.06628	1.9
139.67796	0.1
149.02946	0.6
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
53.03948	6.8
55.05513	16.2
65.03935	2.2
65.53917	0.8
67.05178	1.3
67.05508	16.2
69.07074	8.4
69.62698	0.8
77.03912	1.8
79.05495	54.0
80.05849	1.1
81.07058	18.7
83.73116	0.9
91.04904	1.7
91.05481	34.9
93.07046	100.0
94.07365	2.8
94.07871	1.5
95.04960	8.5
98.20806	2.5
105.04520	2.8
105.07036	11.8
107.08597	81.4
108.08911	1.8
109.06532	4.6
117.07065	1.4
119.06085	2.5
119.08592	6.5
120.09389	2.1
135.04439	1.5
135.08049	2.9
135.11697	43.2
136.02174	17.5
136.06206	5.0
136.12054	1.8
149.96428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.67293	0.9
51.74266	0.9
53.03953	7.7
54.46349	0.9
55.01865	2.4
55.05516	13.6
57.07071	1.5
57.28473	1.1
64.21874	1.0
65.03940	3.6
67.05502	7.6
69.07070	5.6
70.04467	2.3
70.04854	3.1
77.03904	1.2
79.05493	34.5
80.04996	1.3
80.05830	1.3
81.03407	1.4
81.07090	6.8
91.05483	56.8
92.05821	2.2
93.07047	69.7
94.07355	2.2
95.04965	13.0
95.08603	1.1
96.01839	0.9
101.63002	1.0
103.05497	2.0
105.04507	4.7
105.07036	23.6
106.07833	1.5
107.04971	5.2
107.08598	100.0
108.08936	3.8
109.01115	2.3
109.06533	7.9
112.03970	1.8
115.05450	1.4
117.07030	2.3
118.06557	1.7
119.03553	3.0
119.06060	5.0
119.08593	12.3
120.09360	3.7
133.10129	1.2
134.05952	1.6
135.04416	4.8
135.05444	1.5
135.06557	1.4
135.08102	6.1
135.09015	0.9
135.11693	34.0
136.02170	50.5
136.03853	2.5
136.06183	37.6
136.07489	2.7
136.12051	2.4
137.04590	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02388	1.1
53.03945	8.3
54.05083	1.0
55.01867	2.3
55.05512	10.7
65.03934	3.3
67.05505	5.2
69.07050	4.4
69.71459	1.0
70.91091	2.4
71.80366	1.0
79.05492	28.9
80.05020	1.5
81.07053	4.8
91.05482	57.0
92.05820	1.7
93.07047	54.1
94.04038	1.4
95.04967	9.8
105.04521	3.0
105.07034	26.0
106.06618	1.2
107.04957	6.6
107.08598	100.0
108.04530	1.2
108.08141	1.2
108.08934	3.8
109.01118	3.6
109.06506	8.5
112.03953	1.2
115.05463	1.2
117.07007	3.5
119.03561	3.3
119.06070	4.6
119.08570	14.2
120.09358	4.5
133.10104	1.2
135.04401	8.9
135.05437	2.4
135.08109	5.6
135.11690	28.0
136.02170	51.6
136.03839	2.0
136.06183	46.8
136.07431	2.1
137.04601	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	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.9
53.03952	4.5
54.03440	0.8
54.79512	0.7
55.01851	0.9
55.05315	0.8
55.05516	8.9
57.07067	1.3
65.03936	2.3
67.05492	3.4
69.07066	4.1
69.49176	4.2
69.49588	2.1
77.03930	1.2
79.05495	25.0
81.03365	1.0
81.07072	5.2
91.05478	43.9
92.05798	1.3
93.07042	65.9
95.04967	8.1
97.84798	0.8
103.15741	0.8
105.04491	1.9
105.07029	21.4
105.07697	1.5
107.04968	8.1
107.08592	100.0
107.88203	0.8
108.08927	2.9
109.06527	7.4
109.07642	1.6
115.05449	1.9
117.07080	2.3
119.06026	3.0
119.08595	12.4
120.09418	4.9
120.10223	0.7
131.42902	0.9
133.10091	1.0
135.04401	3.3
135.05423	0.9
135.06566	1.3
135.07053	1.2
135.08052	10.9
135.10829	0.9
135.11690	25.7
136.02164	10.4
136.06181	6.3
136.07162	1.1
136.07593	1.0
136.08647	1.0
136.12056	1.4
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	o-Cymol
Peak:m/z	Relative Intensity
51.02377	0.9
53.03949	5.3
55.05515	11.1
63.04523	0.7
65.03939	4.3
67.02964	0.9
67.05507	4.6
68.05020	1.1
69.07080	4.3
70.40746	3.1
79.05493	29.4
80.05833	1.3
81.03400	0.7
81.07055	4.4
85.36107	0.9
90.33713	0.7
91.05487	43.8
92.02607	0.9
92.05787	1.4
93.07045	56.7
94.07357	1.2
95.04969	10.0
95.08591	1.4
96.06876	1.6
103.05438	1.2
105.04496	2.2
105.07036	20.3
106.07356	0.9
107.04952	4.0
107.08594	100.0
108.08922	3.4
109.01123	0.8
109.06529	7.0
109.07613	0.9
115.05437	1.9
117.07012	3.4
119.03586	1.1
119.06045	3.4
119.08586	10.7
120.09383	3.7
133.10120	1.1
135.04387	5.3
135.05379	1.4
135.06529	0.8
135.08086	7.6
135.10049	1.0
135.11697	23.6
136.02176	15.6
136.06187	13.5
136.07292	1.5
136.07549	1.2
136.08693	2.4
136.12024	1.0
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
51.02393	0.7
53.03950	5.2
55.01867	0.9
55.05265	1.0
55.05513	10.5
57.07065	0.7
59.80288	0.6
65.03948	2.3
66.25433	0.6
67.05515	2.9
68.05019	0.8
69.07069	4.5
69.61988	3.3
69.62399	1.3
71.15350	0.6
77.03889	0.8
79.05492	23.1
80.05819	1.0
81.07051	4.8
89.16148	0.5
91.05482	35.9
91.31573	0.5
92.05801	0.8
93.07043	62.3
94.07388	2.4
94.07893	0.8
95.04974	6.4
98.21519	1.0
101.18693	0.6
103.05437	0.7
105.04514	2.2
105.07033	17.2
106.07330	0.7
107.04948	2.5
107.08591	100.0
108.08925	3.2
109.06514	6.4
111.43935	0.6
115.05505	1.0
117.07011	2.1
119.06069	3.0
119.08575	8.1
120.09369	3.1
135.04445	2.1
135.08067	5.3
135.11685	23.3
136.02164	6.4
136.06180	5.6
136.07550	0.9
136.12086	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
54.38670	0.8
55.05519	9.3
57.07054	0.9
59.01656	0.8
62.65715	0.8
65.03946	1.8
67.05503	3.7
67.07154	1.0
67.57362	1.0
68.05021	2.0
69.07063	3.7
69.71006	3.8
69.71423	1.3
79.05500	26.8
81.07054	4.3
91.05484	38.3
92.05824	0.9
93.07047	65.8
94.07340	1.3
94.07877	1.4
95.04974	6.1
95.06104	0.9
96.06841	1.2
105.04492	1.4
105.07037	16.8
107.04948	4.6
107.08598	100.0
108.08925	4.1
109.06519	7.1
109.07642	2.1
115.05436	1.8
117.07024	2.8
119.06097	4.7
119.07346	1.1
119.08569	8.2
120.09379	2.0
133.10135	1.0
135.04469	5.1
135.05438	1.1
135.08090	7.0
135.11694	23.0
136.01111	1.0
136.02170	16.9
136.06195	9.9
136.07530	2.5
136.08528	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03948	9.5
55.01680	0.9
55.01873	11.6
55.05506	7.9
60.83746	1.0
63.79936	1.2
65.03934	11.2
67.05502	8.2
68.05006	3.8
69.03430	7.9
69.07040	2.3
70.41685	1.0
70.78784	1.7
70.79118	2.6
73.58796	1.1
77.03941	2.0
79.05491	68.0
80.05009	1.6
80.05811	2.6
81.03405	2.2
81.07046	5.4
90.80048	1.1
91.05479	100.0
92.05798	3.6
92.06291	1.8
93.05785	1.2
93.07045	39.6
94.04093	1.4
95.04967	17.7
95.06046	1.3
96.06864	3.2
103.05441	2.7
105.04514	4.9
105.07027	35.3
106.07323	1.8
107.04949	17.2
107.08588	80.0
108.08912	2.4
109.01090	4.7
109.06514	17.8
109.07627	2.7
115.05457	21.2
117.07005	14.4
119.03524	2.4
119.06049	7.5
119.08588	7.9
120.05694	2.2
120.09351	1.2
123.80997	1.4
135.04401	14.9
135.05502	2.7
135.06473	2.7
135.08052	36.6
135.09058	1.2
135.11702	15.7
135.12622	2.1
136.02161	55.6
136.03831	2.8
136.05200	1.5
136.06174	40.5
136.07524	3.9
136.08588	3.9
136.11110	1.3
137.04579	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	135.044
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02389	2.6
53.03950	40.0
55.01869	7.8
55.05507	5.5
63.57116	1.9
65.03936	16.2
67.05501	5.1
69.03439	2.7
71.52514	2.2
77.03925	7.4
79.05496	100.0
81.03434	2.3
81.07043	3.7
89.03911	7.7
91.05483	65.5
93.07048	36.1
94.04084	2.2
95.04369	3.7
95.04974	59.7
95.53148	1.8
97.14371	1.9
104.47019	1.9
105.04520	18.7
105.07025	21.6
107.04303	2.7
107.04964	31.9
107.08602	58.7
107.24438	2.1
109.01082	3.3
109.06536	4.5
115.05492	5.1
117.07036	4.6
119.06046	4.0
119.08606	9.6
135.04419	68.9
135.08076	14.1
135.11685	15.6
136.02173	47.7
136.03827	2.5
136.04778	1.8
136.05070	2.0
136.06189	26.7
137.04553	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01595	1.9
51.02373	6.9
53.03716	2.8
53.03949	41.7
55.01861	5.1
65.03943	16.8
67.05499	2.3
70.15405	6.2
74.10299	1.7
77.03926	7.7
78.51526	1.8
79.01839	1.7
79.05498	100.0
80.05844	3.3
81.03414	3.1
81.07052	1.9
89.03918	7.1
91.05494	29.7
93.06512	2.3
93.07030	9.9
93.62622	2.0
95.04969	64.9
105.04514	20.0
105.07037	3.9
107.04962	35.8
107.08581	11.5
109.01097	1.9
112.80754	1.5
117.03418	2.4
118.06562	3.1
119.08600	3.3
134.06044	2.6
135.04422	80.7
135.08089	2.5
135.11710	3.2
136.02176	20.4
136.04800	2.9
136.06192	7.7
136.07515	2.0
144.47894	1.6
147.13979	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	134.06
Annotation	p-Tolyl isocyanate
Peak:m/z	Relative Intensity
51.02360	1.8
53.03945	11.6
55.01873	1.1
55.71009	0.8
65.03938	4.7
71.07182	1.7
73.32043	0.9
77.03915	3.0
78.04712	5.0
79.05491	44.4
80.05822	1.2
89.03900	3.9
91.05481	62.6
91.33481	0.8
92.05793	2.2
93.07050	2.8
95.04972	16.3
104.05013	2.9
105.03395	7.0
105.04520	3.7
105.07037	1.7
106.04212	1.4
106.06555	72.9
106.07339	3.2
107.04961	3.5
107.06901	2.0
107.08588	3.4
107.93394	0.9
109.06530	5.5
116.04975	42.1
117.45318	0.8
119.06053	1.9
132.04463	3.4
134.06012	100.0
134.10463	3.6
135.06386	2.2
135.08044	1.7
135.11639	1.4
153.35788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01884	3.8
55.05511	5.8
56.96566	61.3
59.06126	8.1
60.04529	8.4
65.03938	4.0
67.05500	12.5
68.05020	6.4
69.07084	4.3
69.60369	25.1
75.05615	17.7
75.71987	3.4
79.05503	41.7
80.05029	4.2
81.04527	6.7
81.07065	5.9
85.98682	3.3
87.05604	46.0
91.05479	29.6
93.07051	29.1
94.06567	7.2
95.04966	10.9
95.06103	7.4
96.06874	9.8
96.50571	5.1
98.97590	36.9
100.02473	15.0
105.04574	5.7
105.07033	12.6
107.04971	28.3
107.06086	6.7
107.08613	47.7
109.01090	10.0
109.07630	9.5
110.03100	4.0
110.52682	9.0
113.00838	5.0
115.05466	5.0
116.98625	43.5
118.03525	7.2
118.86874	3.2
119.01910	8.1
119.06035	6.0
119.08576	5.8
120.51299	7.1
121.01579	6.5
121.04076	4.3
122.02122	7.1
124.52401	12.3
125.67035	3.4
130.03534	9.8
131.01906	54.2
133.52948	7.8
134.99669	44.6
135.04459	36.5
135.05562	8.2
135.06694	12.0
135.08032	16.2
135.09103	7.0
135.11699	16.5
136.02167	100.0
136.03804	4.9
136.06204	9.1
136.07607	8.4
136.08727	9.7
137.98363	7.3
148.04532	3.7
149.02980	24.6
150.04376	4.8
153.00706	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	134.0599
Annotation	p-Tolyl isocyanate
Peak:m/z	Relative Intensity
51.02420	1.0
53.03949	11.7
55.01873	1.7
55.05510	1.2
65.03930	5.0
67.05503	2.5
67.12438	1.3
67.12784	1.3
69.72852	7.3
77.03918	2.5
78.04722	5.8
79.05496	46.3
80.01759	1.1
80.05829	1.6
81.03380	1.1
81.07066	1.0
81.25939	1.1
89.03916	4.6
91.05482	62.5
92.05817	3.3
93.07050	7.2
95.04975	18.5
98.21494	2.1
104.04992	1.4
105.03425	6.5
105.04522	5.0
105.07037	3.5
106.06563	71.4
106.07349	3.8
107.04967	5.1
107.06893	2.8
107.08587	8.7
108.96907	1.2
109.06501	5.7
116.04983	28.4
118.06568	1.5
119.06073	2.6
130.39534	1.1
132.04477	4.3
134.06021	100.0
134.06973	3.9
134.09566	2.4
134.10487	3.0
135.04427	2.8
135.06450	3.3
135.11717	2.8
144.11711	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0599
Annotation	p-Tolyl isocyanate
Peak:m/z	Relative Intensity
51.02380	2.0
53.03714	1.0
53.03951	14.4
53.39678	0.9
54.55983	0.9
55.01859	1.8
55.46592	0.8
55.48047	0.9
64.43450	0.9
65.03935	5.7
67.05504	1.4
71.26826	2.1
77.03902	2.2
78.04697	4.4
79.05493	49.0
79.94982	0.9
85.08603	0.9
89.03940	5.1
91.05482	62.1
92.05846	1.3
93.07039	6.9
95.04974	17.1
104.04984	1.0
105.03397	6.8
105.04510	4.3
105.07027	3.5
106.06561	65.5
106.07341	4.6
107.04959	4.6
107.06902	2.0
107.08601	9.0
109.06510	4.9
115.91512	0.9
116.04223	2.1
116.04986	30.4
118.06528	1.3
119.06109	2.3
119.08587	1.3
124.05170	1.6
129.80188	1.0
132.04457	4.4
134.06018	100.0
134.09612	2.5
134.10510	2.8
135.04398	2.8
135.05464	1.5
135.06407	5.6
135.08083	3.8
135.11710	2.5
150.05557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02398	0.7
53.03944	1.4
53.45527	0.5
55.05507	4.5
65.03947	0.9
67.05505	1.1
69.23799	1.1
69.24213	4.4
77.03941	0.8
79.05495	9.7
89.46126	0.6
91.05481	34.8
92.05811	1.2
93.07043	8.5
95.04982	2.0
98.21505	1.2
103.05482	4.3
105.03399	0.9
105.07030	96.5
106.06693	0.8
106.07360	3.5
107.08591	1.6
112.54679	0.6
115.05451	6.7
116.06216	1.3
117.07027	9.2
118.07817	8.6
123.07939	0.8
129.07027	1.0
131.08569	12.3
132.08940	0.7
133.06572	2.9
133.10129	100.0
134.05989	1.1
134.10449	4.9
150.15251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02374	0.6
52.66570	0.7
53.03955	1.5
55.01870	1.0
55.05516	5.5
55.58365	0.7
67.05519	1.5
69.57938	4.6
72.00743	0.7
73.63578	0.6
77.03899	0.9
79.05502	6.4
83.69666	0.6
91.05486	37.8
92.05819	1.4
93.07049	3.4
95.04976	2.7
103.05465	5.1
105.07034	100.0
106.07371	2.8
107.08575	1.7
111.04463	0.6
115.05454	5.1
117.06994	4.2
118.07819	3.9
123.07903	0.8
129.06999	1.4
131.08594	8.3
132.90503	1.6
133.06468	3.6
133.07515	1.4
133.10133	54.1
134.05989	2.0
134.10474	2.6
151.06389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03939	1.8
53.49500	0.5
55.05507	2.6
65.03905	0.7
66.95033	0.5
67.05506	0.7
71.53006	1.0
74.70740	0.5
77.03919	2.0
79.05496	8.6
81.77143	0.6
91.05479	27.4
92.05787	0.9
93.07042	6.0
95.04954	1.8
103.05463	5.0
104.34038	0.6
105.03374	0.9
105.07031	76.9
106.07362	2.5
107.08592	1.4
111.59054	0.5
115.05467	7.4
116.06233	1.3
117.07030	9.0
118.07803	8.4
123.07928	0.7
129.06979	0.5
131.08565	8.8
133.02817	1.1
133.06554	3.4
133.10130	100.0
134.10463	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.05511	4.2
57.22550	0.9
65.03928	1.5
67.05488	0.9
68.55193	0.8
79.05489	8.2
91.05483	36.4
92.05813	1.4
93.07051	7.2
95.04957	2.3
98.21544	1.7
102.03069	0.8
103.05470	4.4
105.07034	100.0
106.07364	4.8
115.05477	5.1
117.07018	8.3
118.07819	6.8
129.07034	1.4
131.08568	10.2
133.06596	1.9
133.10135	81.9
134.06050	1.0
134.10472	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03940	1.6
55.01863	0.7
55.05513	4.0
58.05339	0.4
63.04025	0.4
65.03930	0.9
67.05512	1.9
69.29626	3.3
77.03932	0.7
79.05492	8.5
80.05832	0.6
88.02165	0.4
91.05480	33.0
92.05788	0.8
92.06292	0.6
93.07035	5.5
95.04961	2.5
98.20790	0.8
102.22083	0.4
103.05460	5.1
104.06260	0.5
105.03405	0.8
105.07029	100.0
106.07366	3.9
107.08622	1.0
112.02183	0.9
113.02979	0.4
115.05449	6.6
116.06244	1.0
117.07017	6.8
118.04178	0.6
118.07813	6.8
123.07974	1.0
129.06993	0.7
131.08569	11.5
133.02850	0.7
133.06494	10.2
133.10127	59.4
134.06015	1.6
134.06941	0.6
134.10477	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02357	0.4
53.03946	1.5
55.05513	3.2
57.32833	0.4
58.03007	0.6
65.03948	0.8
67.05498	1.5
71.12435	0.9
73.66733	0.5
77.03897	1.3
79.05490	8.6
91.05481	22.2
92.05794	1.1
92.06308	0.6
93.07043	5.9
95.04963	2.5
97.09629	0.4
99.64317	0.5
103.05460	4.2
105.03391	0.8
105.07027	68.8
106.06694	0.7
106.07336	2.7
107.08595	1.2
112.02215	0.7
113.02973	0.7
115.05465	7.1
116.06255	0.8
117.07016	9.8
118.04160	0.6
118.07805	8.7
119.08179	0.5
123.07935	1.4
124.15582	0.5
129.06982	0.8
131.08571	8.8
133.06538	4.6
133.10123	100.0
134.06010	0.7
134.10466	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03949	1.6
55.05510	4.4
60.20890	0.7
65.03927	1.0
67.05502	1.2
70.79202	2.2
74.54541	0.7
77.03918	0.9
79.05499	7.0
88.29660	0.8
91.04900	1.5
91.05480	30.6
92.05819	0.8
93.07041	5.4
95.04971	2.4
103.05480	2.3
105.07031	100.0
106.07361	3.0
107.08596	1.5
115.05461	5.3
117.07022	6.5
118.07814	6.6
123.08006	1.0
131.08563	9.2
133.06480	3.0
133.10129	65.4
134.06024	1.4
134.07112	1.0
134.10460	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	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.96564	1.0
69.07081	1.4
70.70529	0.5
71.34335	0.9
86.09708	100.0
87.10027	2.7
122.52224	0.6
132.10252	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0808
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
51.02658	0.6
53.03933	1.8
57.03431	1.4
58.02938	0.6
60.31095	0.7
61.07403	0.6
63.99134	0.6
64.18645	0.5
69.45071	0.6
70.12805	2.5
72.04541	0.6
76.98859	0.5
77.03938	0.8
79.05488	3.5
81.04541	0.7
86.06059	1.7
86.09697	1.8
87.90527	0.7
90.90379	1.0
91.05479	6.7
92.05801	1.2
93.05775	1.1
95.04984	1.8
103.05458	2.2
104.04985	6.2
104.05792	2.3
105.03397	1.8
105.04527	0.7
105.07036	26.4
112.02200	0.8
115.05458	14.2
116.05808	0.8
117.05764	57.9
118.06090	1.3
123.07924	1.3
130.06531	6.0
131.07314	4.6
131.08578	1.1
132.04466	13.4
132.08093	100.0
133.02820	0.8
133.05412	0.7
133.06509	6.4
133.07509	1.1
133.08531	3.6
133.10123	7.1
143.06087	1.4
144.04648	0.6
153.48819	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02375	1.0
53.03946	5.0
55.01871	0.6
55.05512	1.0
57.03434	1.1
58.05344	0.6
65.03939	0.7
69.07053	0.9
69.50854	0.3
71.52546	0.6
71.94416	0.4
72.04514	0.5
72.08144	1.0
77.03930	1.8
79.05484	2.0
81.03432	0.5
84.08158	0.5
86.00639	0.8
86.06060	1.0
86.09708	10.6
87.05591	0.7
91.05484	6.8
92.05840	0.8
93.07045	0.6
95.04967	8.5
96.04485	1.9
103.05463	1.1
104.04993	73.1
105.03413	2.6
105.04523	2.2
105.05328	1.9
105.07032	20.2
115.05453	3.3
117.05759	9.7
117.07051	1.0
118.07824	0.8
123.07864	0.5
130.06499	0.9
131.04913	0.5
131.07292	0.7
131.08598	1.4
132.04454	100.0
132.08090	20.0
132.08902	0.8
133.02811	0.7
133.04839	3.9
133.06494	5.4
133.08492	0.8
133.10129	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	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02381	0.8
53.03950	3.9
55.01877	0.7
56.05039	0.8
57.03437	1.0
58.02957	0.3
58.05341	0.5
58.06600	0.6
58.82038	0.3
59.06130	0.3
60.04535	0.3
67.05546	0.3
68.05028	0.7
69.03439	0.3
69.07080	0.4
70.06570	0.4
70.67320	0.6
72.04518	0.7
72.08161	1.1
72.93790	0.6
73.06535	0.3
74.02458	0.3
74.06100	0.4
75.05598	1.0
77.03903	1.7
78.03486	0.4
79.05491	1.0
81.03384	0.4
84.05617	0.3
84.08146	0.5
85.04025	0.6
86.00673	0.6
86.06061	1.2
86.09705	3.0
87.05581	0.7
89.10818	0.3
90.90384	0.4
91.05495	2.7
92.05832	0.4
93.07066	0.5
95.04970	7.9
96.04494	1.8
103.05481	0.9
104.04994	66.5
104.37495	0.2
105.03434	1.8
105.04526	2.1
105.05333	1.6
105.07032	9.7
112.02172	0.4
115.05081	0.2
115.05466	0.3
117.05763	0.8
117.07068	0.4
118.07787	0.5
123.07901	0.3
131.08559	0.8
132.04456	100.0
132.07986	1.2
133.02867	0.5
133.04805	3.4
133.06473	2.6
133.10153	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	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
57.03439	0.9
63.08655	0.6
63.47507	0.6
65.03940	1.9
69.03429	0.8
71.53382	1.0
73.55937	0.6
84.08135	1.3
85.08464	4.7
86.06065	0.9
91.05481	100.0
92.05833	3.6
95.04977	1.4
103.05460	9.1
104.05032	1.1
104.05732	0.7
104.36501	0.7
107.84654	0.6
113.07959	3.5
115.05450	5.6
116.06247	24.2
117.06544	0.8
128.06190	1.8
129.07008	15.5
130.07425	1.0
131.04924	2.5
131.06923	2.6
131.08562	86.3
132.04451	1.5
132.08054	1.4
132.08894	4.6
133.06532	1.1
143.06050	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51004	0.9
50.66796	0.9
55.05501	1.8
56.05023	4.6
57.07073	76.6
58.05327	1.3
58.06604	1.4
58.07406	1.3
59.06118	2.4
60.04501	1.3
65.62099	1.0
67.05497	2.3
68.05024	1.1
69.03427	36.5
69.07065	4.8
70.04570	4.7
70.06596	7.3
71.04975	1.9
72.04504	3.9
72.08143	12.4
74.09717	49.1
75.10045	1.6
82.06564	4.2
83.02472	1.1
84.04494	12.5
84.08141	94.6
85.04004	1.1
85.07648	4.6
85.08467	3.1
86.06050	1.1
87.09230	1.7
91.05479	9.5
95.76904	0.9
98.21436	1.2
103.05476	12.4
112.07600	81.7
113.07109	2.9
113.07938	2.8
115.05479	1.0
116.06226	3.7
123.35297	1.0
126.66075	1.0
129.06998	1.9
130.05013	2.2
130.06526	28.6
130.08646	31.9
130.09724	3.3
130.15909	100.0
130.38976	0.9
131.04964	4.7
131.08549	9.1
131.16263	5.0
138.41916	1.0
142.11198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0652
Annotation	Quinoline
Peak:m/z	Relative Intensity
53.03946	1.4
53.33974	0.3
53.66034	0.3
56.05046	2.4
57.07079	2.2
62.47017	0.3
67.05503	1.1
69.03432	23.4
69.07076	2.5
70.06597	2.3
70.96620	1.0
71.05005	1.2
74.09726	1.6
80.89237	0.4
82.06587	1.7
84.04510	10.3
84.08145	39.7
85.08496	0.6
91.05495	2.0
94.06580	0.6
95.04956	2.4
99.06665	0.4
102.04678	0.7
103.05468	19.3
104.05837	0.4
112.07608	65.7
113.07947	1.3
116.06207	0.5
117.52832	0.4
128.04965	2.0
129.07040	0.4
130.06531	100.0
130.08609	15.9
130.12276	0.8
130.15929	2.8
131.04967	1.9
131.05949	0.4
131.06860	2.5
131.08502	2.8
137.88631	0.4
146.05927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0652
Annotation	Quinoline
Peak:m/z	Relative Intensity
51.02375	0.4
53.03932	0.9
55.01868	0.3
55.02994	0.4
55.05509	0.5
56.05023	0.9
56.96548	0.4
57.95067	0.3
58.28889	0.2
59.06115	0.5
62.55595	0.2
67.05499	0.5
69.03087	0.4
69.03430	5.7
69.07056	1.1
70.06581	1.1
70.76256	0.5
70.76600	0.5
71.05000	0.3
72.04498	0.3
72.08161	2.0
73.04855	0.3
77.03913	0.3
82.06558	0.8
83.02412	0.3
84.04515	1.6
84.08143	28.1
85.08456	0.6
86.06023	0.2
91.05490	0.3
93.54089	0.3
95.04951	1.5
102.04712	0.4
103.05468	11.2
103.06158	0.5
105.04469	0.3
112.05073	0.4
112.07603	14.6
113.07929	0.3
128.04974	1.6
130.06526	100.0
131.06027	0.4
131.06880	2.9
131.08472	0.3
134.57838	0.2
146.05992	1.0
147.08652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50096	0.7
53.00309	1.0
53.03945	18.7
55.01870	7.2
55.05510	3.9
56.05030	1.9
57.03426	3.6
58.06598	1.9
59.06113	3.4
60.06411	0.7
60.85697	0.8
65.03927	0.9
67.01846	1.2
67.05493	2.7
67.93551	0.8
68.05032	4.7
69.03426	8.4
69.05351	2.2
69.05766	0.8
69.07052	1.2
70.06592	8.7
70.96227	1.3
70.96546	0.8
71.01355	0.8
71.04599	1.3
71.04991	20.3
79.05476	1.9
81.03416	45.3
81.07065	6.1
82.03747	1.4
82.06575	9.7
83.01344	1.5
83.06103	3.3
84.04504	1.4
84.08126	1.3
85.02889	2.1
85.06586	0.9
85.07660	2.4
86.06056	2.9
87.06856	2.5
95.04952	1.2
97.02881	7.0
97.07655	2.7
99.04443	6.1
99.09193	0.9
100.07600	6.4
109.02876	41.9
109.06516	1.4
109.07628	7.2
109.10143	1.4
110.03228	2.1
110.06043	2.3
111.09199	16.5
119.26283	0.7
127.03916	100.0
127.07603	1.4
127.08680	3.0
127.11218	2.5
128.04259	3.1
128.06216	1.2
128.07068	8.7
128.10707	1.0
128.11833	1.3
128.14374	1.5
148.40930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50096	0.7
53.00309	1.0
53.03945	18.7
55.01870	7.2
55.05510	3.9
56.05030	1.9
57.03426	3.6
58.06598	1.9
59.06113	3.4
60.06411	0.7
60.85697	0.8
65.03927	0.9
67.01846	1.2
67.05493	2.7
67.93551	0.8
68.05032	4.7
69.03426	8.4
69.05351	2.2
69.05766	0.8
69.07052	1.2
70.06592	8.7
70.96227	1.3
70.96546	0.8
71.01355	0.8
71.04599	1.3
71.04991	20.3
79.05476	1.9
81.03416	45.3
81.07065	6.1
82.03747	1.4
82.06575	9.7
83.01344	1.5
83.06103	3.3
84.04504	1.4
84.08126	1.3
85.02889	2.1
85.06586	0.9
85.07660	2.4
86.06056	2.9
87.06856	2.5
95.04952	1.2
97.02881	7.0
97.07655	2.7
99.04443	6.1
99.09193	0.9
100.07600	6.4
109.02876	41.9
109.06516	1.4
109.07628	7.2
109.10143	1.4
110.03228	2.1
110.06043	2.3
111.09199	16.5
119.26283	0.7
127.03916	100.0
127.07603	1.4
127.08680	3.0
127.11218	2.5
128.04259	3.1
128.06216	1.2
128.07068	8.7
128.10707	1.0
128.11833	1.3
128.14374	1.5
148.40930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.5
54.03255	0.8
54.03468	7.7
54.04295	1.3
55.01872	5.1
55.05509	9.1
56.05035	27.7
57.04543	1.0
58.06595	4.1
61.16364	0.8
65.03923	2.9
66.03462	3.6
66.04713	0.9
67.04253	2.0
67.05492	2.9
68.05025	15.4
68.05828	1.7
69.03427	5.3
69.04546	5.1
69.07052	3.5
69.62534	5.7
70.06594	9.4
71.01340	1.5
75.61198	0.7
76.05840	0.7
77.03918	1.0
78.03439	1.7
79.05492	48.9
80.05015	47.2
80.05799	3.0
81.03432	1.0
81.04538	25.8
81.05397	1.9
81.05795	46.0
81.07052	18.4
82.02927	2.0
82.05311	4.4
82.06123	1.8
82.06577	4.3
82.07368	5.3
83.04994	11.2
83.06099	45.9
84.06432	1.1
84.06883	1.7
84.08137	1.3
91.05476	1.8
94.06576	6.6
95.04972	6.5
95.06093	2.5
96.03909	1.7
96.04491	23.7
96.05297	13.5
96.08126	61.5
97.02878	13.2
97.03967	1.3
97.06525	3.7
97.07652	24.9
97.08369	1.3
98.06001	1.0
101.00912	0.9
101.02610	0.9
105.04543	1.1
106.04844	1.2
106.06546	22.1
107.04933	1.9
107.06078	32.7
107.08575	5.2
108.06371	1.4
108.97895	0.8
109.05248	1.4
112.03960	13.7
113.04225	1.2
118.03521	0.9
119.01933	12.2
119.03586	1.0
120.03248	1.4
124.03954	99.6
124.04736	4.1
124.05901	3.1
124.07593	100.0
124.08697	60.5
124.11161	1.6
124.12084	1.2
125.02335	5.2
125.04308	4.3
125.06008	5.2
125.07106	9.9
125.08037	3.2
125.09680	6.8
137.02969	6.4
138.03064	0.9
138.96402	0.8
140.03413	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	124.0757
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
53.03948	7.5
54.03255	0.8
54.03468	7.7
54.04295	1.3
55.01872	5.1
55.05509	9.1
56.05035	27.7
57.04543	1.0
58.06595	4.1
61.16364	0.8
65.03923	2.9
66.03462	3.6
66.04713	0.9
67.04253	2.0
67.05492	2.9
68.05025	15.4
68.05828	1.7
69.03427	5.3
69.04546	5.1
69.07052	3.5
69.62534	5.7
70.06594	9.4
71.01340	1.5
75.61198	0.7
76.05840	0.7
77.03918	1.0
78.03439	1.7
79.05492	48.9
80.05015	47.2
80.05799	3.0
81.03432	1.0
81.04538	25.8
81.05397	1.9
81.05795	46.0
81.07052	18.4
82.02927	2.0
82.05311	4.4
82.06123	1.8
82.06577	4.3
82.07368	5.3
83.04994	11.2
83.06099	45.9
84.06432	1.1
84.06883	1.7
84.08137	1.3
91.05476	1.8
94.06576	6.6
95.04972	6.5
95.06093	2.5
96.03909	1.7
96.04491	23.7
96.05297	13.5
96.08126	61.5
97.02878	13.2
97.03967	1.3
97.06525	3.7
97.07652	24.9
97.08369	1.3
98.06001	1.0
101.00912	0.9
101.02610	0.9
105.04543	1.1
106.04844	1.2
106.06546	22.1
107.04933	1.9
107.06078	32.7
107.08575	5.2
108.06371	1.4
108.97895	0.8
109.05248	1.4
112.03960	13.7
113.04225	1.2
118.03521	0.9
119.01933	12.2
119.03586	1.0
120.03248	1.4
124.03954	99.6
124.04736	4.1
124.05901	3.1
124.07593	100.0
124.08697	60.5
124.11161	1.6
124.12084	1.2
125.02335	5.2
125.04308	4.3
125.06008	5.2
125.07106	9.9
125.08037	3.2
125.09680	6.8
137.02969	6.4
138.03064	0.9
138.96402	0.8
140.03413	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	2.7
57.03431	0.3
57.15005	0.2
58.06596	0.9
58.99863	0.5
59.07376	0.7
60.95854	0.2
67.05507	0.4
69.72240	1.3
70.06592	0.8
70.99860	0.7
77.00896	0.6
78.06326	1.8
80.05016	1.1
82.01434	0.5
82.06603	0.2
82.99831	1.1
83.00782	0.3
83.01517	0.6
84.01199	0.3
89.00888	0.4
91.00509	0.3
92.01307	0.3
96.04475	0.7
96.08118	0.3
97.05283	0.6
98.97588	0.5
99.52606	0.2
100.02515	1.5
100.65706	0.2
101.00880	19.5
101.02556	3.7
102.00974	0.9
102.02232	2.1
103.02348	0.3
109.02879	0.2
116.98558	0.2
117.10227	1.1
118.03501	0.8
119.01920	100.0
119.03655	2.8
120.01999	4.2
120.03207	1.0
121.01620	0.3
121.02383	0.3
124.02473	0.6
124.03954	5.9
124.05909	0.5
124.08700	0.3
133.03470	0.4
137.02954	38.4
138.03033	1.6
139.03401	0.2
142.03500	6.9
142.54263	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	3.3
57.03452	0.3
57.59801	0.2
58.06612	0.2
58.99866	0.5
59.07382	0.2
60.00644	0.2
60.95861	0.4
68.05045	0.2
69.03452	0.2
69.61031	1.1
70.06600	0.2
70.99881	0.3
75.01017	0.2
77.00898	0.4
78.06337	0.8
80.05015	2.0
81.05344	0.2
82.01430	0.3
82.99829	1.2
83.00771	0.4
83.01544	0.4
84.08119	0.4
88.65514	0.2
89.00892	0.2
91.00500	0.2
92.01303	0.2
95.01329	0.4
95.01910	0.2
96.01590	0.2
96.04506	1.8
96.05080	0.3
96.08138	0.2
97.52087	0.2
98.97591	1.1
100.02485	1.6
101.00882	16.7
101.02562	1.9
102.00960	0.8
102.02214	1.1
107.06084	0.2
110.01234	0.2
111.64027	0.2
112.02817	0.4
116.98638	0.5
117.10284	0.4
118.03514	0.7
119.01923	100.0
120.01995	4.2
120.03300	0.4
120.97920	0.2
121.02329	0.3
121.03478	0.2
122.03552	0.2
122.52159	0.4
124.02454	0.6
124.03959	11.3
124.05871	1.1
124.07605	0.8
124.08695	0.6
125.04340	0.2
125.07146	0.4
128.98674	0.2
133.03456	0.3
137.02959	43.1
138.03038	2.2
139.03419	0.2
142.03508	6.9
143.00229	0.2
143.03737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65044	0.1
53.62009	0.1
55.45127	0.2
56.96532	0.1
58.99859	0.3
65.40948	0.2
70.93926	0.4
82.01427	0.3
82.99829	1.3
83.01521	0.6
84.01193	0.4
90.43738	0.2
93.31450	0.1
100.02483	1.8
101.00878	16.9
101.02550	3.4
102.00909	0.8
102.02244	2.2
102.02870	0.3
103.85432	0.2
118.03547	0.9
119.01918	100.0
119.03644	2.5
120.01994	5.6
120.03182	1.1
121.02329	0.4
124.02460	0.7
137.02951	42.2
138.03026	3.0
139.03369	0.2
142.03497	6.5
143.03627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.9
53.03945	12.5
54.03467	2.3
54.21597	0.5
55.01876	2.0
55.05511	6.3
56.05039	3.7
57.07074	3.7
58.06603	0.8
65.03934	2.6
65.88515	0.5
66.03439	0.8
67.05503	21.6
68.05025	4.6
68.05849	0.7
69.04562	0.8
69.07063	3.0
70.06577	1.8
71.52728	0.9
77.03940	1.5
78.03443	2.1
79.05494	17.6
80.05013	18.4
80.05787	0.9
81.03423	1.7
81.04546	5.9
81.07052	77.6
82.01459	0.8
82.04865	0.8
82.05329	0.9
82.06559	0.7
82.07396	1.8
83.05628	1.0
83.06099	8.4
91.05447	0.9
93.07043	4.1
93.73835	0.5
94.07837	0.7
95.04965	100.0
95.08602	19.7
96.04492	10.7
96.05296	3.2
96.06386	0.6
96.08141	1.5
97.07654	4.7
100.02493	4.4
101.05628	0.7
104.30602	0.5
105.03406	0.6
105.04508	5.0
105.07025	1.8
106.02923	1.9
106.06547	0.8
107.04966	1.0
107.06064	5.7
108.05721	2.5
108.09322	0.8
110.12394	0.5
112.03973	4.2
118.03512	3.5
119.01908	1.9
121.10054	0.7
123.04433	21.7
123.05547	28.2
123.08072	12.4
123.09180	2.0
123.09971	0.6
123.11698	19.4
124.03957	26.7
124.04810	1.1
124.07603	2.9
124.08705	14.9
124.12015	1.0
137.02972	0.7
140.03419	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90353	0.3
57.86214	0.4
58.99868	1.1
63.26120	0.4
67.97047	0.3
69.85301	1.8
77.00902	0.6
82.01443	15.9
82.99833	1.3
83.01516	1.0
94.67754	0.3
95.04951	0.4
100.02482	68.9
101.00878	21.0
101.02539	3.4
118.01182	0.5
118.03523	38.1
119.01921	100.0
123.04065	1.8
124.02460	0.4
136.04587	0.7
137.02954	37.8
139.03424	0.4
141.05069	1.3
142.03499	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02365	1.2
53.03947	10.8
55.01860	0.8
55.05511	10.2
62.38094	0.6
65.03941	4.4
65.34041	0.5
67.05509	3.7
70.72556	1.8
77.03930	1.7
78.04715	0.7
79.05495	37.6
80.05830	1.1
80.06278	0.7
81.03419	1.0
81.07044	4.5
91.05485	44.7
92.05819	1.7
93.07044	100.0
94.06544	1.0
94.07387	3.6
95.04967	18.1
103.05468	7.5
105.03405	1.9
105.04510	4.6
105.07032	30.7
105.75043	0.7
106.07829	2.3
107.07350	1.0
111.04452	1.2
119.08583	6.8
121.02888	3.8
121.04012	2.0
121.06528	4.3
121.10144	26.1
122.06057	2.0
122.07024	0.6
122.09679	1.2
122.10496	1.3
123.08101	2.7
133.07631	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27188	0.4
52.27443	0.5
58.99860	1.2
70.93468	1.0
71.25131	0.5
77.00898	1.0
82.01442	21.8
82.99856	1.4
83.01480	0.6
100.02481	91.3
101.00876	21.4
101.02544	4.7
118.03522	48.6
119.01920	100.0
119.03626	2.9
123.04012	3.0
136.04547	1.2
137.02954	31.3
141.05089	1.4
142.03496	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03757	0.7
53.03949	8.9
55.05512	8.7
59.56732	0.9
60.11235	0.8
65.03936	1.9
67.05502	2.3
69.75289	5.1
71.05054	0.7
73.42142	0.7
74.17391	0.9
77.03913	2.0
79.05495	35.1
80.05846	1.0
80.06267	1.6
81.07053	5.9
91.05482	42.0
93.07043	100.0
94.07378	2.3
95.04962	15.2
98.20815	1.3
103.05463	7.2
103.18816	0.8
105.04504	4.8
105.07030	32.6
106.07802	3.4
114.18321	0.9
119.08599	5.1
121.02905	1.7
121.10144	28.4
122.06172	0.8
122.10545	1.1
123.08057	2.7
124.59695	0.8
133.07607	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.8
53.03946	10.6
55.01863	0.7
55.05512	9.0
59.46275	0.6
65.03934	1.5
65.39866	0.6
67.05502	1.5
69.53489	4.1
77.03941	2.1
78.04705	0.9
79.05492	33.6
80.05838	1.1
80.06277	1.4
81.03432	1.0
81.07047	4.1
91.05478	41.3
92.05795	1.0
93.07042	100.0
94.07357	3.0
95.04964	14.1
103.05473	7.6
105.04517	6.0
105.07029	31.2
106.07793	2.4
119.08595	5.4
121.02911	1.1
121.10138	26.4
122.06062	0.9
122.10458	1.2
123.08036	3.4
133.07626	0.7
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
51.02390	1.0
53.03947	10.1
55.01868	1.3
55.05512	8.7
65.03930	2.9
66.33014	0.8
67.05502	2.6
71.52010	0.9
75.94220	0.7
77.03929	1.3
79.05496	37.6
80.05857	0.8
81.03386	0.9
81.07058	4.1
91.05486	41.5
92.05791	1.2
93.07047	100.0
94.07373	3.4
95.04977	14.4
103.05470	6.8
105.03357	1.2
105.04529	5.6
105.07031	36.8
106.07811	3.4
109.03466	0.8
111.04456	0.8
112.03970	1.4
119.08567	6.9
121.02908	4.0
121.03998	1.9
121.06519	5.1
121.10147	27.4
122.06019	1.5
122.07127	1.3
122.09684	2.2
122.10487	1.9
123.08089	3.2
125.05583	0.8
133.07571	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.03712	1.0
53.03947	11.1
55.01870	0.8
55.05511	8.7
65.03933	2.0
67.05502	1.3
70.78216	1.6
77.03945	1.2
79.05492	34.4
80.05830	1.4
80.06284	1.5
81.07053	5.4
87.87063	0.6
91.05483	42.8
92.05821	1.0
93.07043	100.0
94.07370	3.5
95.04963	17.3
103.05470	8.1
104.69613	0.5
105.03380	0.8
105.04507	4.0
105.07030	31.7
106.07875	3.3
106.72449	0.6
119.08570	5.0
121.02863	2.8
121.06509	1.2
121.10143	24.5
122.05999	0.7
122.10490	1.0
123.08056	2.5
133.07584	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20413	0.5
51.02377	1.1
51.52289	0.5
53.03745	0.6
53.03948	5.9
54.03463	2.1
55.01882	3.0
55.05506	1.9
56.02840	0.5
65.03938	67.5
66.04255	2.7
67.05503	1.7
68.05016	0.6
68.99787	2.7
69.03429	0.8
70.06615	0.7
71.01353	2.1
71.20532	1.1
77.03928	0.5
79.01858	1.0
79.05488	14.6
79.16064	0.4
81.04547	5.0
81.07054	0.6
82.05319	4.4
86.93914	0.6
91.05476	13.2
93.03419	1.5
93.05351	4.1
93.07038	22.7
94.06572	1.5
94.07368	0.5
95.04960	7.5
95.06107	2.1
103.05457	7.2
104.05813	0.6
105.03413	1.6
105.04506	3.0
105.07024	23.4
106.07829	1.6
107.07342	1.8
109.02929	0.9
111.04437	35.9
112.04773	1.1
119.08578	3.0
120.05537	0.7
121.02885	100.0
121.03986	34.0
121.04774	3.4
121.06488	10.3
121.07626	1.4
121.08427	0.8
121.10135	12.6
122.03230	2.9
122.04324	0.8
122.06087	2.4
122.07141	20.0
122.09621	2.6
123.08042	2.9
133.07619	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03934	3.1
65.03940	5.2
70.77375	1.8
70.77721	1.4
78.04720	0.9
78.76739	0.8
79.05490	6.1
91.05484	100.0
92.04981	1.3
92.05795	1.9
93.07045	3.9
95.04963	2.9
96.05273	1.7
103.05480	8.2
104.06253	9.6
105.04516	0.9
109.06528	1.1
115.05461	4.6
117.07022	20.1
119.04966	2.9
119.06069	3.6
119.08582	77.5
120.04468	1.3
120.05585	2.8
120.08118	1.4
120.08902	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	120.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.1
51.25669	0.8
53.03960	4.4
54.32551	0.7
55.01884	1.1
56.05034	1.5
65.03938	7.2
69.44275	6.4
74.06063	1.4
74.16708	1.0
74.17101	0.9
77.03915	1.3
79.05482	3.7
91.05482	14.0
92.04996	6.6
92.05828	4.5
93.07043	19.9
95.04967	6.9
103.05466	94.8
104.05785	2.6
105.04522	1.6
105.07037	4.9
110.06030	0.8
111.04441	1.3
116.40375	0.9
118.06557	1.6
119.07331	1.4
120.04477	5.1
120.05591	3.2
120.08105	100.0
121.02855	6.8
121.03970	2.5
121.06484	3.8
121.07692	1.0
121.08463	2.5
121.10117	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.01907	0.4
53.03946	2.5
55.64689	0.4
56.02652	0.5
59.06131	2.1
63.02375	0.4
65.03941	8.0
69.90616	1.3
69.91022	0.8
74.06059	0.6
74.76942	0.3
77.03539	0.4
78.04699	0.6
79.05489	5.9
87.05578	0.6
89.03902	0.5
91.05479	100.0
92.04989	1.1
92.05814	2.6
93.07041	3.5
95.04959	2.9
96.05337	1.0
103.05467	9.1
104.05628	0.6
104.06249	8.8
105.04506	0.8
109.06512	0.6
115.05453	3.8
115.06196	0.5
117.07015	15.4
118.07317	0.7
119.04939	9.5
119.06050	1.6
119.08577	74.3
120.04454	1.1
120.05638	2.0
120.08089	2.4
120.08921	2.2
121.06522	0.7
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	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02385	0.8
53.03949	2.9
65.03949	4.0
66.40673	0.7
69.85042	2.2
69.85454	1.5
78.04743	1.4
79.05495	7.0
79.60386	0.7
91.05482	100.0
91.42574	0.6
92.04990	1.1
92.05815	2.4
93.07052	4.4
95.04971	3.4
96.05277	0.8
103.05458	12.0
104.06253	12.4
105.04529	0.9
109.06501	0.9
115.05453	4.7
117.07021	24.4
119.04919	2.1
119.06044	2.6
119.06839	2.0
119.08579	81.8
120.05593	1.8
120.08129	1.3
120.08920	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	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.7
53.67682	0.8
54.01735	0.7
54.04287	1.1
65.03937	5.1
71.17735	1.8
73.76494	0.7
79.05499	7.1
83.76865	0.8
91.05484	100.0
91.31985	0.8
92.05830	1.8
93.07050	5.0
95.04980	3.8
96.04453	1.2
96.05267	0.9
103.05473	13.9
104.06252	12.7
105.04515	1.3
109.06520	1.6
114.55931	0.7
115.05459	4.8
117.07024	19.6
118.07376	0.7
119.04951	1.9
119.06093	3.0
119.08585	91.2
120.05628	2.1
120.08118	1.6
120.08920	3.7
121.06497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
55.01863	4.3
55.05508	4.8
56.05029	3.4
56.05850	6.1
56.96566	100.0
57.03436	9.8
58.06593	2.1
59.06123	28.2
59.06919	1.3
60.02120	1.4
60.04531	2.8
60.07729	1.3
60.95853	1.9
61.02932	12.1
65.03944	7.2
65.49505	1.3
67.05508	6.1
67.55796	1.0
68.02683	1.1
69.03430	14.9
69.85294	6.1
69.99825	1.1
70.06577	4.0
71.04984	1.6
71.06921	5.0
71.95262	3.1
72.04518	1.4
72.08160	10.5
73.02912	10.6
73.07868	1.8
73.08489	30.4
74.06071	6.6
74.50027	16.8
74.97615	4.4
75.01038	3.2
76.51611	1.7
77.00787	6.6
78.52978	1.7
79.05492	3.2
80.03513	1.3
80.72153	1.0
81.01034	2.1
81.03419	5.8
81.07059	1.3
82.01427	1.8
83.00789	8.6
83.04993	1.9
83.50546	67.0
83.52323	1.2
84.00730	1.7
84.01572	1.2
84.08138	3.0
84.96049	2.8
85.02905	11.4
85.06564	1.4
85.35523	1.0
86.00824	1.4
86.01302	2.4
86.51812	1.9
87.05595	4.2
87.53510	1.4
89.00783	5.3
90.01552	9.0
91.00521	1.6
91.05483	73.5
92.01313	5.1
92.04996	2.5
92.05854	1.3
92.51061	16.6
92.51603	1.3
92.98648	1.5
93.07020	2.7
93.53446	1.5
95.00796	1.3
95.01340	6.4
95.03112	2.7
95.04955	2.0
95.52342	16.6
96.01591	2.6
96.02477	1.4
97.00529	2.4
97.02915	7.1
98.01299	10.2
98.20824	1.2
98.97585	27.0
99.02070	2.9
99.04479	1.0
100.02477	10.5
101.00865	6.1
101.02563	3.8
102.02243	2.6
102.09179	3.7
103.02395	2.7
103.05450	2.9
104.01292	4.0
104.52872	79.8
104.54638	2.0
105.02095	2.7
105.03023	4.2
106.01045	2.1
107.01810	2.7
107.03122	2.2
107.05276	2.3
108.05161	1.3
109.02834	1.8
109.06522	1.4
109.52011	1.2
110.01320	5.7
110.97582	2.3
111.04418	2.0
113.53378	13.4
114.03537	1.4
116.00268	1.6
116.03660	8.0
116.05801	1.9
116.53785	1.2
116.98619	21.2
117.07018	3.4
118.03529	9.6
118.56142	1.4
119.01909	49.7
119.03579	3.6
119.05003	5.2
119.06059	4.3
119.08453	7.4
120.01978	1.6
120.03291	3.2
120.04430	1.5
120.05595	3.9
120.08117	2.6
120.10291	1.4
121.03500	3.4
128.02356	5.4
128.98593	5.4
129.04048	1.5
129.57324	1.0
131.00143	1.1
131.01892	2.1
134.99649	11.7
137.02965	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	3.1
51.02378	6.7
53.03949	62.1
55.01867	4.0
56.39183	3.9
70.86121	7.3
77.03930	6.4
81.03430	5.8
91.05485	26.0
91.80360	3.5
95.04970	100.0
105.04519	33.2
109.06555	3.5
118.05708	6.4
118.06540	92.1
118.08677	7.3
119.06847	4.0
119.08582	10.3
120.25941	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	118.0654
Annotation	3H-Indole
Peak:m/z	Relative Intensity
51.02383	5.3
53.03716	2.8
53.03946	41.6
54.04288	2.2
55.01870	2.9
56.73846	1.9
58.69967	2.2
59.07386	3.4
60.01433	1.8
65.03947	23.2
65.18015	2.0
69.83664	10.7
77.03920	7.0
81.03436	2.2
87.52177	2.1
91.05483	100.0
95.04970	56.8
97.22903	2.5
105.04525	21.2
118.04140	3.1
118.06546	63.6
118.08666	12.6
119.04942	44.5
119.06876	2.6
119.08559	4.1
125.70682	2.0
133.82294	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	118.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.05513	1.6
56.05024	0.7
58.02954	1.0
58.06583	2.2
59.05051	0.6
59.06128	4.4
60.04510	1.2
65.03935	0.8
70.06588	3.3
70.41283	2.2
72.04505	2.0
72.08161	5.2
75.05586	0.6
76.93375	6.6
79.05489	0.9
91.05477	41.4
94.94408	2.0
95.04955	3.4
101.07195	0.6
117.05751	4.6
117.96095	0.6
118.06538	100.0
118.08669	1.8
119.04887	0.7
119.06102	1.5
119.06898	3.1
119.08564	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	1185.5443
Annotation	Unknow
Peak:m/z	Relative Intensity
88.46554	0.0
170.11386	0.1
197.10773	0.1
209.10664	0.1
221.33060	0.0
222.11510	0.1
233.10751	0.1
239.15341	0.1
249.13841	0.0
301.15652	0.1
309.13760	0.0
312.15012	0.1
324.14865	0.1
330.11423	0.1
338.16553	0.1
340.17923	0.1
358.15448	0.1
373.14337	0.1
375.15930	0.1
376.17560	0.1
385.15015	0.1
387.15967	0.2
388.16684	0.3
389.17468	0.5
390.18512	0.2
391.19312	0.2
392.20261	0.1
393.21298	0.1
401.17755	0.2
402.18326	0.4
403.19196	1.4
404.19867	0.6
405.20694	0.9
406.21515	0.2
415.19327	0.2
416.20877	0.4
417.16562	0.5
417.21414	1.7
418.16962	0.1
418.21927	1.0
419.22379	2.1
420.22836	0.2
421.23868	0.1
429.16910	0.2
429.21579	0.1
430.17099	0.5
430.22610	0.1
431.18155	4.3
432.18677	1.4
432.23975	0.3
433.24222	3.4
434.24789	0.8
443.18259	0.1
444.18539	0.3
445.19876	5.6
446.20743	3.0
447.21631	2.9
448.22778	0.3
449.23578	0.3
457.19962	0.1
458.20984	0.1
459.21509	2.2
460.22522	5.2
461.23279	4.3
462.19971	0.2
462.23862	0.3
463.21207	0.2
473.23825	1.3
474.24719	0.3
475.20535	0.1
476.25873	0.2
477.22299	0.6
478.23376	0.1
487.25381	0.4
488.25580	0.2
489.26184	0.2
491.25101	0.6
492.25400	0.6
493.26016	0.1
501.22937	0.1
503.20660	0.1
504.21259	0.2
505.21979	2.7
506.22867	0.1
515.24469	0.2
517.21667	0.1
518.23364	0.2
519.23547	0.4
520.24689	0.2
533.25464	16.0
534.25763	1.5
547.26862	0.2
550.26001	0.2
561.24829	0.3
563.22620	0.1
564.23535	0.7
565.28400	0.5
566.27252	0.1
575.26666	0.2
578.25269	0.2
592.26770	1.4
593.27509	100.0
594.27838	6.8
684.63452	0.1
878.65015	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02380	7.1
52.08681	2.9
53.03710	5.0
53.03948	70.3
58.06590	4.7
59.28383	2.6
70.12537	12.9
77.03932	8.8
79.05512	2.7
81.03416	6.6
89.59336	2.6
91.05482	22.5
95.04976	91.0
96.05395	3.1
105.04520	27.9
107.45001	2.8
116.46831	2.7
117.07055	4.2
118.06551	100.0
118.08649	5.0
119.06922	3.8
119.08559	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	116.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	66.9
58.40442	1.3
58.95420	13.4
59.06105	1.7
60.53353	1.3
69.96030	3.6
69.96416	2.9
71.06912	1.7
71.95267	10.0
73.15356	1.3
76.92874	9.9
98.97582	100.0
100.02464	3.5
100.11250	1.4
116.98617	90.2
117.10254	2.1
117.99035	4.6
118.03510	4.4
134.99651	52.7
136.00082	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	116.9864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62672	2.3
56.96584	13.3
58.06603	32.7
59.07381	32.5
71.06908	10.9
71.51012	4.6
77.73553	2.9
88.32278	2.6
98.97583	19.1
116.89088	3.8
116.98616	15.4
118.08656	100.0
134.99693	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
53.03947	1.2
55.05495	1.0
56.05042	1.1
59.06130	2.3
60.04520	1.1
65.03918	1.7
70.06580	2.7
70.41524	2.1
70.62646	0.7
71.39940	0.8
72.04523	1.3
72.08151	4.4
76.93366	3.5
89.43768	0.8
89.50304	0.9
91.05484	46.2
92.05787	0.9
95.04959	2.3
115.14143	0.9
117.05776	5.6
118.06541	100.0
119.06876	2.9
119.08598	1.1
119.74870	0.8
137.29816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65460	0.1
68.05029	0.3
70.06592	100.0
71.06303	0.1
71.06921	1.8
71.51629	0.2
72.44553	0.1
76.44688	0.1
116.07092	12.0
117.07451	0.3
117.12736	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	116.0709
Annotation	L-Proline
Peak:m/z	Relative Intensity
50.10872	0.1
56.96575	0.1
68.05025	0.3
70.06592	100.0
70.82142	0.2
70.82486	0.1
71.06284	0.1
71.06923	2.2
98.06038	0.1
98.97588	0.1
102.89829	0.1
116.07090	8.3
117.07437	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	116.071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.2
56.96564	0.7
57.93573	0.2
59.06128	0.4
68.05036	0.3
69.90041	0.1
70.06593	100.0
70.41646	0.3
70.42039	0.3
71.06315	0.2
71.06921	1.5
74.93839	0.8
75.05617	0.2
79.38485	0.1
92.94907	0.1
98.97585	0.5
116.07094	9.3
116.10735	0.2
116.98603	0.3
117.07451	0.2
134.99626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	L-Proline
Peak:m/z	Relative Intensity
54.24011	0.2
56.05034	0.2
57.04548	0.2
58.02961	0.2
59.06142	0.8
60.04529	0.2
63.89828	0.1
68.05041	0.3
70.06593	100.0
70.82020	0.4
71.06923	1.3
74.93835	0.7
75.05604	0.2
79.05537	0.1
92.94852	0.3
94.21788	0.1
98.06054	0.2
115.96472	0.2
116.03506	0.2
116.07093	8.6
117.07447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
79.51514	0.2
153.03604	0.1
220.86575	0.1
241.70187	0.1
311.25708	0.3
383.11386	0.1
387.33167	0.1
396.12091	0.6
397.12811	1.0
398.13675	0.5
399.14722	0.2
400.15295	0.1
409.13123	0.4
410.13791	1.2
411.14502	3.4
412.15250	2.6
413.16104	1.7
414.16928	0.2
423.14902	1.0
424.11200	0.8
424.15338	1.2
425.16324	7.2
426.16898	5.6
427.17700	1.5
428.18527	1.3
435.14377	0.1
436.15781	0.2
437.11246	0.2
437.17148	0.6
438.13065	1.3
438.17337	0.9
439.13602	11.9
440.13763	1.0
440.19205	4.1
441.19260	29.8
442.19598	2.7
443.17966	0.2
444.18381	0.2
450.12955	0.2
451.12961	0.2
451.17880	0.5
452.14050	2.0
453.15262	13.6
454.15839	4.1
455.16495	0.4
455.21454	0.2
456.18185	0.2
457.14407	0.5
458.15759	0.5
459.20361	0.3
463.13943	0.8
464.14526	0.2
465.15311	0.7
466.12515	0.5
466.18130	0.2
467.17154	22.8
468.17868	11.7
469.18768	11.2
470.19501	0.7
471.16501	0.6
472.17450	0.6
477.15759	0.2
478.16742	0.3
479.13171	0.1
479.17642	0.2
480.17706	1.0
481.14746	13.5
482.15628	2.7
482.21552	0.5
483.16574	0.4
484.17209	0.2
485.18317	1.1
486.19028	0.4
487.20120	0.2
494.17477	0.6
495.15851	3.7
496.17191	9.2
497.17953	2.6
498.19385	0.6
499.19604	0.8
500.20050	0.3
501.21472	0.2
508.19846	0.8
509.18222	2.2
510.20178	0.4
511.18222	0.2
512.20685	1.0
513.22113	0.5
514.22363	2.8
515.21008	0.2
522.17938	0.6
523.19702	1.6
524.21014	0.3
525.17651	0.3
526.17926	0.3
527.23401	3.2
528.23413	0.4
536.19543	0.2
537.18909	0.5
538.20435	0.2
539.19287	0.4
540.20068	0.7
541.20447	0.4
542.21741	1.0
545.23737	0.6
553.16913	0.2
554.18103	0.1
555.22388	29.6
556.22833	2.3
557.23322	0.2
558.20599	0.2
568.19684	0.4
573.23810	0.2
582.21320	0.3
583.21851	81.3
584.22150	6.2
585.22388	0.2
586.20569	0.9
587.25024	1.9
600.21582	0.2
601.22571	0.2
611.21320	1.7
614.23633	0.8
615.24451	6.1
616.24689	0.4
625.22351	0.1
642.23254	2.0
642.33142	0.2
643.23920	100.0
644.24194	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	112.0873
Annotation	histamine
Peak:m/z	Relative Intensity
52.01902	0.1
52.16066	0.1
53.03952	0.3
54.03463	0.4
55.01862	0.4
55.05513	1.0
55.93520	0.3
56.05038	0.9
56.96567	10.8
57.03427	0.6
57.04556	0.2
58.06598	0.9
67.01860	0.3
67.02978	0.3
67.04239	0.3
67.05499	0.7
68.01377	0.2
68.05031	8.5
69.03433	2.8
69.04551	1.8
69.07056	0.5
69.66133	0.7
70.02955	1.1
70.06596	2.0
70.94258	2.3
70.95872	0.9
70.98132	0.3
71.04992	0.2
71.94110	1.6
71.95266	4.2
71.95670	0.2
72.04521	0.4
73.05296	0.2
74.97598	0.2
75.01031	0.4
81.03435	0.8
81.04522	0.3
81.74713	0.1
82.05317	0.3
82.06579	0.3
83.00772	0.3
83.06104	9.4
84.01563	0.4
84.04502	0.7
84.06432	0.2
84.07629	0.3
84.08143	5.4
84.95989	0.2
85.02902	0.4
85.07645	0.2
86.06085	0.2
87.01028	0.2
88.02338	0.4
88.50402	0.1
88.95293	0.5
88.96906	0.2
88.99147	0.2
89.00795	0.3
90.01556	0.2
91.02348	0.3
92.01286	0.3
94.02947	0.2
94.04068	0.8
94.06578	0.4
95.01328	0.7
95.02460	5.4
95.06091	100.0
96.00837	0.5
96.01549	0.4
96.04497	0.3
96.05836	0.2
96.06412	2.0
96.08115	0.4
97.02857	0.2
97.07699	0.2
97.52080	0.2
97.99168	0.2
98.01306	0.2
98.21489	0.3
98.52864	0.2
98.97578	0.3
100.02464	0.4
101.03168	0.2
105.02066	0.2
109.00510	0.6
109.02872	1.2
110.01290	0.6
110.03671	0.2
110.52818	0.2
111.96877	0.3
112.04011	0.8
112.05092	20.8
112.07603	3.7
112.08727	11.5
112.09498	0.6
112.11237	6.9
113.02368	3.6
113.03482	1.3
113.05370	0.3
113.07127	0.5
113.07854	0.2
113.09133	0.2
113.10790	0.3
113.11593	0.2
115.63646	0.1
116.98628	0.3
118.01048	0.4
118.03509	0.2
119.01820	0.8
128.98575	0.4
129.97856	0.2
131.00192	0.2
134.99702	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0509
Annotation	Cytosine
Peak:m/z	Relative Intensity
52.01902	0.1
54.03476	0.2
55.01863	0.2
55.34111	0.1
55.91927	0.1
56.96563	5.9
57.03432	0.2
57.28521	0.2
60.04527	0.1
67.02988	0.9
68.01388	1.1
68.05026	1.6
69.03427	0.4
69.04552	9.2
70.02955	1.8
70.06586	0.2
70.98133	0.2
71.02465	0.4
71.52148	0.3
71.94106	0.3
71.95261	1.3
75.01050	0.3
81.03416	0.4
83.00788	0.2
83.06111	1.9
84.01539	0.4
84.08139	1.5
86.51775	0.2
88.99095	0.1
92.01322	0.3
94.04050	4.3
94.06572	0.2
95.02451	27.2
95.06087	21.4
96.00851	1.2
96.02782	0.4
96.06429	0.2
98.97558	0.3
103.04146	0.2
109.00491	0.4
109.02875	0.2
110.03627	0.1
110.52836	0.2
112.05085	100.0
112.08693	2.4
112.11272	1.0
113.02368	0.2
113.02678	0.2
113.03474	2.6
113.04733	0.3
113.05426	1.5
118.54323	0.2
132.50572	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	1115.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05496	0.9
81.03416	9.6
81.07040	0.8
83.01337	0.5
83.04982	1.3
85.02902	13.7
85.06539	4.0
87.04460	0.5
87.52835	0.2
91.03956	0.3
91.05472	2.8
91.06011	0.2
92.02615	0.5
93.03412	0.5
93.07047	0.7
95.04966	0.9
95.08599	0.4
97.02890	8.8
97.06505	0.2
99.04450	15.3
103.03941	6.3
103.05455	0.8
105.03349	0.3
105.07039	1.0
107.04948	0.4
107.08591	0.5
109.02875	19.5
109.10159	0.6
110.03695	0.2
111.04438	0.8
115.03949	1.1
115.05430	0.8
117.07043	0.3
119.04948	1.4
119.08566	0.4
121.02851	1.2
121.06487	0.7
121.10153	0.8
123.04404	0.6
123.08087	0.2
125.00751	0.2
125.02342	0.4
125.05942	0.2
126.03086	0.3
127.03911	37.0
128.04230	0.4
128.06233	0.4
129.06978	0.3
131.04919	2.6
133.02899	0.5
133.06490	0.6
133.10104	0.4
135.04417	0.5
137.02341	0.6
137.05980	0.7
139.03906	1.4
139.11191	0.2
141.07007	0.4
142.07770	0.2
143.04916	0.3
145.04950	9.9
145.10110	0.2
147.04411	5.7
149.05995	0.4
149.09610	0.2
151.03915	1.7
153.01813	6.0
155.08560	0.3
157.04979	0.5
157.06439	0.2
157.10112	0.4
159.04405	3.3
159.08037	0.3
159.11696	0.3
161.05972	1.1
163.03922	2.4
163.05981	1.6
163.07349	0.2
165.01819	0.9
165.05440	0.4
165.09093	0.2
166.02597	0.2
167.03406	0.3
167.07065	1.4
169.04973	1.5
169.10107	0.2
171.04420	0.6
173.04567	0.4
173.05934	1.9
173.09596	0.2
175.03900	58.1
176.04314	1.2
177.05470	5.4
179.07056	0.3
181.04947	0.5
183.02901	0.4
183.04381	0.2
183.08063	0.4
185.05954	0.4
185.09650	0.4
187.03917	13.8
187.05995	5.0
187.07559	1.2
188.04253	0.3
189.05469	4.2
191.03452	0.3
191.07057	0.4
193.04950	0.6
193.08629	0.3
195.08020	0.3
197.05968	0.2
198.06787	0.5
199.03909	3.6
199.05762	0.3
199.07573	0.4
200.04597	0.5
201.05475	3.9
201.09071	0.8
203.03378	3.0
203.07037	1.2
203.10730	0.4
205.05005	0.7
205.07063	1.3
207.06549	1.5
208.06845	0.2
209.08061	1.0
211.05965	0.5
211.07680	0.4
213.05493	1.5
213.09053	0.9
215.07050	1.0
216.06551	0.2
217.05000	1.8
217.08517	0.9
218.05775	0.5
219.06441	0.4
223.07565	0.7
225.09203	0.2
226.06256	3.1
227.06969	0.8
227.08981	0.3
228.04245	1.1
228.07788	1.3
229.05273	2.9
229.08632	15.2
230.08801	0.2
231.02966	0.4
231.06544	0.3
231.10147	5.4
235.06039	1.3
239.07028	0.4
241.08592	10.6
242.08978	0.3
243.10172	12.6
245.04504	1.1
245.08165	1.2
246.05241	1.8
247.09666	41.0
248.09972	0.8
253.06747	2.6
255.10184	2.6
257.04443	2.4
257.07336	0.2
257.08188	0.2
258.53964	0.2
259.09622	3.2
260.03360	0.2
261.07437	0.2
261.11295	0.4
265.10724	0.7
269.12000	0.3
271.05923	0.9
271.08176	6.7
273.03928	1.5
273.06848	0.2
274.04709	4.2
277.12146	0.2
284.03223	0.6
285.03949	4.3
285.07178	0.2
287.02194	0.2
287.05573	0.7
289.09180	3.0
295.13290	4.9
301.03412	0.2
302.04214	14.0
303.04749	0.6
307.10251	0.3
313.14322	15.8
314.14713	0.6
316.05853	0.2
317.06543	100.0
318.06860	2.3
329.06564	0.8
331.15381	40.0
332.15720	1.2
340.05969	0.2
341.06534	0.6
349.11694	0.4
349.16345	2.6
359.03461	0.3
359.07626	3.9
361.09534	0.3
379.10028	0.6
383.07489	0.6
397.11340	1.3
407.07581	0.3
415.12250	2.6
425.08493	1.0
433.13440	1.8
439.17459	0.4
443.09692	0.3
461.11298	0.2
500.84796	0.2
517.20422	0.2
587.13544	0.3
695.15570	0.2
731.17963	0.3
767.20337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03953	3.8
54.03464	2.1
54.06750	0.5
55.05512	12.2
56.05032	2.6
65.03941	7.3
66.03474	1.1
66.45594	0.6
67.02995	1.5
67.04258	2.1
67.05505	100.0
68.05029	28.4
68.05400	1.4
68.05837	2.0
69.04555	17.8
69.05379	1.1
69.05811	3.2
69.07062	6.6
70.70411	1.2
70.70778	1.0
78.45325	0.5
79.05496	9.9
80.05022	2.9
80.06284	1.1
81.03414	4.9
81.04543	4.4
81.05792	0.9
81.07056	33.0
82.06580	14.9
82.07343	0.8
83.06110	6.7
86.00671	0.7
87.00468	8.2
88.85358	0.5
91.05480	1.7
92.05000	4.1
93.04533	5.2
94.04194	1.3
94.07825	1.2
95.06084	0.7
96.00983	1.6
97.51513	0.6
98.51257	2.6
105.06989	0.8
107.08608	3.5
109.02892	1.1
109.04005	1.7
109.05158	1.7
109.06588	4.7
109.07647	58.4
109.10155	43.5
110.02059	0.9
110.03562	1.2
110.06087	5.8
110.07167	84.3
110.10482	1.3
111.05574	1.4
111.96913	0.6
113.96395	3.0
127.05058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16972	0.4
53.00295	0.4
53.03955	2.3
53.04173	0.4
55.05511	10.9
58.34047	0.4
65.03938	3.3
67.05505	100.0
68.05836	1.4
69.07068	6.5
69.83965	1.6
79.05489	8.1
80.06279	1.1
81.03414	2.4
81.07056	31.3
82.07393	0.9
86.50636	0.4
87.00471	2.2
91.05467	1.0
94.04223	0.6
94.07838	1.2
96.01054	0.5
98.20837	0.5
98.51245	1.3
107.04958	0.5
107.08598	3.2
108.77048	0.4
109.06535	1.8
109.10158	42.1
110.06037	1.3
110.10504	1.8
113.96378	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03937	2.4
53.97689	0.3
55.05512	10.9
56.05858	0.5
61.80454	0.3
65.03934	4.8
67.05503	100.0
68.05835	1.6
69.07070	6.6
79.05492	9.0
80.06281	1.3
81.03396	1.7
81.07056	33.3
82.06570	0.5
82.07394	0.7
86.50632	0.3
87.00459	1.9
91.05476	1.6
91.29893	0.3
94.07830	1.3
107.08592	3.5
109.02898	0.8
109.06522	2.0
109.10154	44.0
110.06047	1.0
110.07179	0.4
110.10487	1.5
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
51.02376	0.4
53.00312	0.5
53.03946	12.9
55.01876	1.6
55.05511	10.7
56.05027	0.5
65.03937	5.5
66.04749	0.4
67.05503	100.0
68.05043	3.4
68.05824	2.3
69.04551	0.8
69.07069	5.8
69.45124	2.5
79.05492	12.9
80.05859	0.4
80.06262	1.6
81.03417	25.4
81.07054	36.1
82.03752	0.5
82.06593	2.6
82.07368	0.8
83.06130	0.4
87.00478	0.9
87.73490	0.3
91.05470	3.8
92.04993	1.0
94.04189	1.8
94.06135	0.4
94.07835	1.6
95.04953	0.4
105.07057	0.4
107.04956	0.8
107.08593	3.5
109.02879	8.0
109.06511	15.4
109.07637	8.4
109.10154	44.5
110.06075	2.9
110.07185	3.4
110.10484	1.1
115.06944	0.3
118.61971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03950	1.6
55.01862	0.4
56.02160	0.2
65.03940	12.5
66.03414	0.3
66.04221	0.3
67.04265	0.4
67.05504	2.1
67.52812	0.2
70.69367	1.1
72.56729	0.3
74.41637	0.3
77.03936	0.5
79.05491	15.7
80.05036	1.3
91.05479	100.0
92.05761	1.6
92.06290	2.6
93.05784	0.3
95.04971	2.5
103.05459	0.5
105.04556	0.5
105.07028	31.0
106.04207	0.7
106.07350	0.7
107.04234	0.4
107.04946	5.5
107.06068	0.8
107.08590	34.6
108.08907	0.8
109.06516	16.3
110.06824	0.3
119.06062	7.0
124.05235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
50.77929	0.5
51.02378	1.2
52.83764	0.4
53.03945	21.5
55.01869	6.3
55.05267	0.9
55.05513	10.7
56.05027	0.8
58.72757	0.5
65.03940	9.4
66.04306	0.6
66.04720	1.4
67.05502	100.0
68.05027	4.3
68.05831	1.8
69.04559	2.1
69.07065	5.8
69.33526	3.3
69.33942	1.5
79.05492	44.0
80.05008	0.6
80.05828	1.1
80.06277	1.7
81.02699	0.6
81.02929	1.0
81.03417	32.1
81.07055	59.5
82.03747	0.8
82.06596	2.8
82.07378	1.6
83.06111	0.6
86.00690	0.7
87.00452	2.9
91.05479	13.1
94.04181	7.2
94.07827	1.1
95.04974	1.3
98.51299	0.7
107.04977	2.7
107.08597	3.5
109.02882	9.2
109.06516	97.4
109.07596	9.7
109.10153	42.8
110.06127	3.2
110.07189	8.0
110.10484	1.0
111.04414	0.7
113.17960	0.5
113.96404	1.2
115.04719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01602	0.2
51.02383	1.3
53.03948	10.4
54.04287	0.4
55.01869	1.0
56.96327	0.2
56.96565	1.5
65.03953	1.3
66.03448	0.2
66.04731	0.2
67.04243	2.7
67.05486	0.3
69.62038	0.4
69.62444	1.4
77.03935	1.8
79.05494	100.0
80.04559	0.4
80.05022	4.1
80.05823	2.7
80.06273	1.4
80.91463	0.2
81.03425	1.4
81.04541	0.3
83.50554	0.6
89.03879	0.4
90.04704	1.0
91.05482	6.8
93.05798	0.5
95.04967	17.6
96.05313	0.6
98.20761	0.4
104.52929	0.4
105.04517	4.9
105.07031	2.0
106.06568	0.7
107.04957	44.1
107.05994	2.8
107.08591	2.4
108.04446	0.6
108.05781	3.7
108.08109	0.6
109.06526	0.9
119.06041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02367	1.0
53.03948	9.1
55.01865	2.3
55.35401	0.5
65.03936	2.4
67.05491	0.9
69.79230	0.8
69.79646	2.5
77.03928	1.8
79.05492	17.3
80.05019	1.0
80.05781	0.5
81.03429	1.5
87.83036	0.6
91.05478	13.7
92.06261	1.0
93.05742	0.7
95.04969	14.7
98.21558	0.6
102.35618	0.6
105.04506	3.3
105.07019	3.9
107.04952	100.0
107.08556	3.5
108.04558	0.8
108.05285	2.5
108.08125	0.9
109.06522	2.6
118.06564	0.6
119.06109	0.7
119.28333	0.6
119.68781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05487	0.6
79.63089	0.2
81.03414	10.9
81.07048	0.5
83.01329	0.3
83.04977	8.1
84.52457	0.2
85.02900	14.1
87.04469	0.7
89.03928	0.8
91.05479	1.1
92.02639	0.4
93.03381	0.5
93.06996	0.3
95.04962	0.8
95.08519	0.2
97.02890	9.3
99.04451	15.4
100.95807	0.2
101.06001	2.0
103.03941	6.0
103.05437	0.6
105.03400	0.3
105.07030	0.5
105.42818	0.2
107.04960	0.4
107.08561	0.3
109.02875	17.8
109.06503	0.5
111.00829	0.3
111.04437	0.7
112.01175	0.2
115.03932	0.8
117.03355	0.2
117.05521	0.3
119.04926	0.9
119.08576	0.4
121.02855	0.9
122.03598	0.2
123.04415	0.8
125.02331	0.6
126.03046	0.3
127.03912	37.9
128.04245	0.5
129.03389	0.3
129.05460	0.3
131.04907	3.1
131.08633	0.2
133.06563	0.2
133.24788	0.2
135.04466	0.5
135.08066	0.3
135.11745	0.2
137.02301	0.4
137.05951	0.5
139.03900	1.0
145.02989	1.8
145.04955	10.5
147.04401	10.5
149.05959	0.4
151.03896	1.5
152.07169	0.3
153.01819	6.1
157.02827	0.8
157.04979	0.6
159.04405	1.6
161.05920	0.3
163.03905	0.6
163.06035	0.8
165.01842	0.7
167.07088	0.7
169.04924	1.3
171.04378	0.5
173.02339	8.9
173.05917	0.3
174.03108	1.0
175.03915	5.3
177.05434	0.7
179.03331	0.3
181.04890	0.5
183.02895	0.3
185.02365	1.4
187.04086	0.4
187.05992	4.4
187.07500	0.4
189.05461	0.3
191.06906	0.3
193.04990	0.5
195.02840	0.3
195.48679	0.2
199.03905	1.0
199.05975	0.7
201.01820	16.0
201.05527	0.8
202.02609	5.5
203.03381	72.1
204.03708	1.3
205.05081	0.4
205.07042	1.4
207.06520	0.7
209.08084	0.9
209.62930	0.2
211.05968	0.5
215.03395	1.5
217.05034	0.9
218.05710	0.5
219.02742	0.3
223.06041	0.3
225.07706	0.3
227.07022	0.3
227.09163	0.4
228.04182	0.9
229.05019	2.6
229.07047	0.7
235.06036	1.3
243.06470	1.3
245.04453	15.1
246.05211	1.7
253.07079	3.3
257.04446	1.6
257.08102	3.1
260.03363	0.3
271.05887	1.3
271.08310	6.3
273.03897	1.4
273.07556	2.8
274.04727	3.6
274.07559	0.5
284.03061	0.5
285.03979	4.0
285.07547	18.5
286.08023	0.4
287.05508	0.8
287.08640	0.2
289.09192	2.1
302.04190	11.8
303.05200	0.6
303.08621	16.0
317.06543	100.0
318.06927	2.2
329.06628	0.8
341.06509	0.6
349.10938	0.2
359.07553	3.2
359.11700	0.4
379.09964	0.8
383.07611	0.4
397.11389	1.1
398.12692	0.2
407.07617	0.5
415.12308	2.2
425.08755	1.1
433.13431	0.7
525.14148	0.3
587.13611	0.3
731.16943	0.3
1069.51807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03440	0.1
85.02911	0.7
91.05472	0.3
109.02898	0.1
110.54070	0.1
117.29412	0.1
119.04957	1.1
121.02880	0.4
121.70299	0.1
129.05463	0.2
145.02885	0.6
153.00575	0.2
153.01819	3.2
162.70837	0.1
163.03885	0.3
171.02928	0.6
175.03908	0.2
175.18292	0.1
177.05348	0.1
205.66490	0.1
207.06535	0.3
225.05540	0.2
229.04930	0.3
243.06445	0.3
247.05927	0.2
271.06000	100.0
272.06317	2.6
354.93323	0.1
433.11252	0.9
500.72293	0.1
579.17029	4.0
580.17084	0.2
710.78955	0.1
889.31842	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01591	0.7
51.02377	2.8
53.03947	23.9
55.01866	1.8
60.04524	0.8
60.08174	0.5
65.03932	3.5
69.81561	0.5
70.87748	0.9
70.88084	0.5
77.03927	4.3
79.05494	45.7
80.05809	0.7
81.03412	2.9
87.00823	0.9
87.04678	0.5
95.04968	38.7
95.35020	0.4
96.05321	0.4
103.05468	31.0
105.03411	12.3
105.04513	12.1
105.07031	100.0
106.06552	2.6
106.07367	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01581	1.6
51.02372	2.2
53.03717	1.3
53.03947	16.8
54.07176	0.8
55.01865	1.1
61.08485	1.3
63.80875	0.8
65.03932	3.8
71.30507	1.0
71.44766	0.9
74.23988	0.7
77.03921	3.5
77.04321	0.9
79.05494	48.5
80.05854	1.0
81.03404	1.7
95.04971	26.3
103.05470	32.0
105.03403	4.3
105.04521	6.6
105.07030	100.0
105.11069	6.1
106.06593	1.5
106.07371	3.3
110.41017	0.8
118.06509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.5
53.03711	1.1
53.03949	13.8
54.28460	0.6
65.03938	2.2
70.87630	1.0
70.87954	1.0
77.03941	4.1
79.05495	48.3
81.03410	0.7
95.04974	22.2
103.05476	29.0
105.03406	2.1
105.04535	7.0
105.07035	100.0
105.11105	2.3
106.06638	0.6
106.07333	3.0
108.30888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.7
51.02373	2.5
53.03948	16.2
55.01872	0.6
60.04507	0.7
60.08146	1.0
61.08492	1.0
62.95238	0.5
65.03931	1.9
69.25116	3.6
69.25529	1.7
74.95928	0.5
77.03915	1.9
78.40621	0.5
79.05497	46.8
81.03409	1.6
85.18592	0.5
93.43320	0.6
95.04972	21.0
102.19697	0.6
103.05467	32.3
105.03417	3.0
105.04538	7.6
105.07031	100.0
105.11080	3.6
106.06618	1.0
106.07352	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02377	1.5
53.03716	1.0
53.03951	15.5
53.81813	0.9
57.87431	0.7
61.08501	2.0
64.75433	0.8
65.03933	3.0
65.36957	0.8
69.50856	1.3
69.51189	6.4
77.03925	4.3
79.05493	43.0
80.05825	0.9
81.03418	1.5
94.53440	0.7
94.87347	0.8
95.04972	22.0
103.05471	30.3
103.30848	0.8
105.03413	3.7
105.04520	7.1
105.07033	100.0
105.11087	4.9
106.06557	2.7
106.07364	3.1
118.06541	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	1.7
51.02383	7.1
53.00319	0.5
53.03948	53.7
54.04286	1.0
55.01871	3.0
56.96568	0.9
58.06622	0.3
60.04531	0.4
64.00681	0.2
64.71301	0.2
66.08550	0.2
70.06593	0.3
70.33258	0.9
75.05553	0.3
77.03930	11.4
79.05490	1.0
81.03423	5.7
81.03864	0.5
87.00815	1.2
88.07625	0.4
90.51306	0.3
91.25459	0.3
91.48198	0.2
95.04969	100.0
96.05302	1.5
97.05372	0.3
98.03686	0.3
103.05470	0.9
104.90783	0.3
105.03400	62.3
105.04490	28.1
105.07004	2.5
105.11079	1.6
106.03731	0.9
106.04863	0.6
107.86121	0.3
118.06561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	59.0
55.91594	10.2
59.17185	12.6
70.01336	54.8
70.80509	11.1
79.05481	15.7
87.61180	10.4
95.04970	100.0
97.25884	10.2
105.03391	52.6
105.04509	28.1
105.06999	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	2.3
51.02380	7.9
53.03946	57.1
54.04264	0.9
55.01872	3.1
57.34476	0.4
60.04516	0.9
65.03927	0.8
71.52795	0.7
74.53330	0.4
77.03927	11.6
78.03463	0.6
79.05494	13.9
79.12404	0.4
81.03418	6.6
87.00825	6.7
95.04964	100.0
96.05318	2.1
102.11091	0.4
103.05462	9.1
105.03394	57.2
105.04489	28.1
105.07024	27.6
105.11098	1.4
106.03701	0.6
106.04855	0.8
106.06553	2.5
116.93159	0.5
118.06522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	1.5
51.02382	7.3
53.00301	0.7
53.03947	55.8
54.04261	1.2
55.01862	3.6
65.03934	1.1
69.50311	1.3
69.50708	3.3
73.00180	0.5
77.03932	12.0
78.12320	0.5
79.05493	21.5
81.03413	5.7
87.00815	2.3
95.04966	100.0
96.05307	1.5
103.05467	14.6
103.06144	0.8
105.03399	52.8
105.04498	31.3
105.07027	40.9
105.11078	0.8
106.06579	0.8
118.06525	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.5
51.02381	7.2
52.85405	0.7
53.00291	0.7
53.03949	59.8
54.25001	0.7
55.01865	3.1
71.12919	1.2
77.03931	11.7
79.05501	4.3
81.03418	5.2
95.04971	100.0
96.05321	1.8
103.05481	2.4
105.03398	57.5
105.04491	27.3
105.07022	8.5
106.03693	1.1
118.06544	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	105.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	2.0
51.02383	7.4
53.03949	52.4
54.04270	0.7
55.01881	3.6
59.41850	0.6
60.04525	0.5
61.08490	0.7
63.07259	0.6
65.03923	1.0
66.13154	0.5
67.05492	0.7
71.52362	0.8
77.03928	9.7
78.03453	0.6
79.05496	12.0
81.03425	6.6
93.27438	0.6
95.04970	100.0
96.05315	1.7
98.03732	0.5
103.05469	7.5
105.03401	53.1
105.04494	29.9
105.07033	28.1
105.11094	1.5
106.03726	1.0
106.06566	2.4
106.07341	0.6
118.06564	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	105.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	1.9
51.02386	7.8
53.00297	0.6
53.03950	63.5
54.27620	0.6
55.01873	3.0
65.03934	0.9
69.84536	3.5
77.03539	0.8
77.03936	12.2
79.05490	10.3
81.03423	7.4
95.04972	100.0
96.05294	2.9
98.21567	0.6
103.05465	6.1
105.03403	58.6
105.04498	30.9
105.07031	25.3
105.11093	1.3
106.03714	1.6
118.06543	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	105.0331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	43.7
58.23289	4.0
69.22784	44.6
69.23127	8.3
71.11054	4.3
77.03936	6.6
79.05498	60.5
87.00802	5.4
92.17966	5.1
94.41146	4.4
95.04978	61.4
103.05468	30.4
105.03430	25.7
105.04511	16.1
105.07034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	43.7
58.23289	4.0
69.22784	44.6
69.23127	8.3
71.11054	4.3
77.03936	6.6
79.05498	60.5
87.00802	5.4
92.17966	5.1
94.41146	4.4
95.04978	61.4
103.05468	30.4
105.03430	25.7
105.04511	16.1
105.07034	100.0
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
58.06601	4.7
59.07374	1.4
60.08163	47.6
61.08485	0.4
64.24451	0.1
69.03423	0.4
69.71944	0.6
86.06081	0.2
86.09713	0.1
87.04463	1.3
104.10743	100.0
105.11059	1.1
113.32856	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.7
51.02377	2.3
53.03949	24.0
55.01867	0.6
56.05020	1.9
56.05264	0.5
57.05360	1.0
58.06586	1.5
59.06128	3.4
60.04522	0.7
60.08154	1.3
62.06095	5.2
70.91222	0.8
73.07674	1.1
75.05595	0.7
77.03921	5.4
79.87552	0.6
81.03432	2.7
81.07895	0.5
85.07662	1.2
86.06068	2.4
89.69630	0.6
95.04966	35.8
96.05285	0.9
102.04682	4.6
103.05466	100.0
103.08694	9.8
104.05792	1.1
104.10731	3.2
104.28099	0.5
105.04514	9.0
113.97450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02915	0.8
78.49818	0.1
79.05492	0.4
81.02924	0.2
81.03414	3.7
81.07056	0.2
83.04979	1.1
85.02902	5.3
86.09721	0.1
87.04462	0.1
89.03905	0.2
91.05499	0.6
92.02631	0.1
93.03400	0.1
93.07050	0.1
95.04960	0.3
95.08593	0.1
97.02891	4.0
99.04451	5.0
103.03943	2.5
105.03423	0.1
105.07047	0.3
107.04955	0.3
109.02877	10.6
109.06523	0.2
109.10093	0.1
109.31712	0.1
111.04427	0.3
112.76215	0.1
115.03913	0.1
115.05435	0.2
117.07037	0.2
119.04939	0.4
121.02881	0.4
121.06488	0.2
123.04421	0.2
125.02345	0.2
127.03913	16.1
128.04269	0.1
128.06219	0.5
129.07002	0.2
131.04941	0.4
131.08583	0.1
133.02837	0.1
133.06520	0.2
133.10106	0.1
135.04428	0.7
137.02310	0.2
137.05997	0.2
137.09503	0.1
139.03902	0.2
143.08545	1.0
145.02951	0.4
145.04961	3.7
145.06445	0.3
145.10146	0.1
147.04410	1.6
151.03905	0.5
153.01819	1.0
153.06982	0.3
154.80647	0.1
155.08537	0.2
157.04990	0.2
157.06471	0.2
159.04404	0.2
159.08058	0.2
161.05983	0.3
163.03912	3.0
163.05980	0.6
163.07335	0.2
164.04585	0.2
165.01825	0.1
167.03279	0.1
167.07042	0.3
169.04955	0.6
171.08029	1.2
173.06061	0.1
175.03903	1.8
177.05486	0.3
179.03462	0.2
181.06432	0.7
184.05222	0.3
185.06000	0.4
187.04163	0.1
187.06007	2.0
189.05484	0.3
189.09106	0.4
191.03387	23.8
192.04120	1.7
193.04927	0.5
199.05899	0.1
199.07559	1.3
201.05505	0.3
203.03380	3.3
203.06935	0.2
204.03799	0.2
205.04990	1.2
205.07065	0.7
207.02817	0.1
207.06543	0.5
209.05951	0.3
209.08090	0.7
211.06020	0.4
212.04662	0.2
213.05420	0.2
215.03407	0.2
216.04245	0.2
217.05008	0.4
217.08583	0.3
227.07034	1.7
227.09117	0.2
228.04198	0.2
229.05000	2.0
229.07132	0.3
230.05733	1.6
235.05975	1.0
243.06581	0.3
245.08087	23.0
246.05367	0.2
246.08459	0.6
247.08247	0.1
253.07063	1.8
253.09543	0.1
257.04395	0.4
257.08047	0.1
263.09134	100.0
264.09500	3.2
264.12320	0.2
271.05899	1.5
271.08179	2.3
271.12927	0.1
272.06268	0.6
273.03888	0.2
274.04733	0.7
283.06049	0.1
285.03918	0.7
287.05450	0.4
289.09277	1.1
302.04202	2.2
303.04929	0.1
305.10254	0.2
317.06552	13.6
318.06943	0.4
325.10925	0.2
331.10257	0.1
341.10272	0.1
345.13464	0.2
353.10220	0.6
359.07556	0.6
361.09274	0.1
371.11282	1.7
379.10022	0.4
389.12250	1.8
397.11316	0.8
415.12323	1.4
425.08728	0.2
433.13440	0.7
451.14651	0.1
461.11636	0.1
471.16492	0.1
473.14294	0.2
479.13440	0.2
497.14359	0.7
515.15381	0.3
552.81818	0.1
623.17902	0.2
641.18231	0.3
685.32068	0.1
707.60559	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	1002.6294
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04104	0.9
71.04442	1.3
71.04984	2.4
79.05481	5.4
79.40908	0.5
81.03414	2.9
81.07052	9.7
83.01311	0.9
83.04984	3.3
83.08619	1.5
85.06541	7.2
91.05479	10.6
93.07043	9.8
95.04370	1.0
95.04960	11.0
95.08604	11.3
97.06506	1.2
99.04431	0.8
103.05471	1.4
105.07032	11.3
107.04910	0.7
107.08589	10.9
109.06525	3.2
109.10147	14.4
111.08077	0.8
111.11678	1.6
115.05476	1.8
117.07018	3.8
119.04930	2.0
119.08579	14.6
121.06487	2.1
121.10141	9.7
123.08083	1.2
123.11703	5.2
128.06189	1.8
129.06992	4.0
131.04932	6.4
131.08553	7.2
133.06490	1.5
133.10126	12.6
135.08040	1.2
135.11697	8.1
137.09563	0.6
137.13202	1.9
139.07510	0.8
141.06989	1.9
142.07765	1.4
143.08563	5.7
145.06468	1.3
145.10120	9.8
147.04404	10.3
147.08037	1.4
147.11678	8.0
149.09581	1.0
149.13222	3.6
151.11154	2.5
153.09067	1.0
155.08548	4.3
156.09309	1.2
157.10094	5.4
159.04407	8.5
159.08070	1.0
159.11707	9.7
161.05994	1.0
161.09624	1.6
161.13275	4.6
163.03906	5.0
163.11108	1.0
163.14819	2.2
165.06944	0.6
167.08566	1.3
169.10109	3.7
171.04404	1.4
171.11678	5.1
173.05939	2.2
173.09573	1.3
173.13252	6.4
175.03903	100.0
175.11224	2.1
175.14833	4.8
176.04291	2.6
177.05446	8.4
177.12740	0.9
177.16354	1.9
179.08528	1.1
181.10132	2.3
182.10907	0.8
183.08089	0.7
183.11697	5.2
185.06129	0.9
185.09644	1.3
185.13239	6.1
187.03900	29.6
187.07423	3.0
187.11172	1.2
187.14818	7.1
188.04240	1.0
189.05467	10.0
189.16370	5.1
191.03400	0.7
193.10132	1.3
195.11685	2.6
197.13239	4.1
198.13835	0.8
199.03886	6.6
199.07530	2.1
199.11189	0.8
199.14803	7.1
201.05446	6.0
201.09068	1.3
201.16377	8.1
203.01572	0.7
203.03377	5.0
203.06941	3.9
203.10675	1.5
203.14232	0.9
203.18007	1.4
207.11719	0.8
209.09813	0.6
209.13252	2.8
211.07603	1.0
211.14783	3.5
212.04703	0.8
213.05457	6.2
213.09062	1.9
213.12712	1.7
213.16373	2.9
214.06038	0.6
215.06981	3.4
215.14233	1.4
215.17986	1.3
216.06659	0.7
217.05011	1.4
217.08473	3.0
217.15904	1.2
223.07497	1.3
223.14804	2.2
225.09048	0.8
225.16350	2.7
226.06303	7.0
227.07072	3.0
227.14365	0.7
227.17995	2.5
228.07767	2.7
229.08583	28.8
229.15819	1.1
229.19475	1.5
230.08940	1.6
231.10129	9.2
231.13707	0.9
233.13266	1.0
233.15390	0.8
235.14749	0.8
237.16322	1.5
239.06955	1.4
239.14355	0.7
239.18001	2.2
241.08589	26.9
241.15796	1.2
241.19470	1.2
242.08945	1.2
243.10168	23.4
243.21123	0.8
244.10628	0.8
245.08105	7.6
245.15302	1.1
247.09656	55.3
248.09937	2.4
249.16400	1.2
251.17987	1.4
253.08607	2.6
253.19441	1.1
255.10168	5.2
257.08087	1.5
259.09702	7.9
261.11234	0.7
263.18073	1.1
265.19406	0.8
269.11874	0.8
271.09570	0.8
271.17130	0.7
279.21054	1.3
281.22598	0.8
283.13351	0.8
293.22665	1.0
295.13333	12.2
295.16617	1.4
295.24191	7.8
296.13522	0.8
297.18491	2.6
297.25491	0.7
311.23682	0.7
313.14322	44.4
313.25241	4.1
314.14835	1.4
315.19647	1.1
319.24139	2.6
321.22153	0.7
321.25803	2.7
323.19891	1.0
325.21747	0.9
331.11453	1.4
331.15369	21.5
332.15741	0.9
333.25638	1.1
337.21579	1.4
337.25259	1.7
349.21512	0.8
351.26724	2.5
353.28619	0.8
355.22552	0.8
363.26941	3.9
369.16962	0.9
369.28049	0.6
375.26794	1.1
381.27829	2.5
387.18042	0.9
393.27847	1.5
395.29480	1.0
405.31430	0.9
415.29886	4.6
433.25082	1.2
433.31042	21.0
434.31320	1.6
451.32086	22.3
452.32373	1.9
469.33133	5.7
487.34235	1.2
601.42285	1.5
619.43829	3.2
637.44965	1.0
650.24896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.6298
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83960	1.3
70.84293	0.6
71.04978	1.7
76.58844	0.6
79.05486	4.8
81.03399	2.1
81.07059	7.4
83.04976	2.0
83.08614	1.9
85.02956	0.7
85.06544	6.9
91.05473	9.3
93.07050	9.7
95.04964	11.1
95.08610	12.8
97.06506	1.4
97.10174	1.0
103.05452	0.8
105.07019	9.4
107.04905	1.1
107.08584	9.3
109.06503	2.6
109.09470	1.2
109.10155	14.5
111.08102	0.8
111.11714	1.6
115.05445	1.5
117.07035	3.4
117.44385	0.6
119.04945	2.1
119.07809	0.9
119.08594	12.5
121.06513	1.1
121.10137	11.1
123.08083	1.2
123.11714	4.8
128.06172	1.2
129.07037	2.9
130.07745	0.7
130.84363	0.7
131.04909	5.3
131.08571	7.7
133.06497	1.2
133.10126	11.6
133.86716	0.6
135.08076	1.6
135.11705	8.6
137.09589	0.7
137.13245	2.6
139.07544	0.6
139.11159	0.9
141.06955	0.9
142.07753	1.1
143.08546	5.9
145.06488	1.0
145.10112	8.5
147.04401	8.9
147.11693	8.3
149.09612	0.9
149.13234	2.5
151.11156	2.4
153.09109	1.0
155.08556	4.1
156.09309	1.1
157.10120	6.8
159.04414	6.3
159.08018	1.2
159.11693	7.3
161.06020	1.7
161.09644	1.7
161.13263	3.7
163.03925	4.8
163.11230	1.3
163.14816	1.4
167.08601	1.6
168.09387	0.8
169.10152	4.8
170.10947	1.0
171.04340	1.2
171.08063	1.0
171.11705	5.7
172.12527	0.7
173.05988	2.5
173.13243	6.8
175.03908	100.0
175.11215	1.1
175.14822	5.3
176.04297	2.6
177.05452	8.8
177.12787	1.0
177.16377	1.3
179.08542	0.7
181.10156	2.0
183.11728	4.2
185.05916	1.2
185.09627	1.6
185.13242	5.8
187.03897	31.7
187.07480	3.0
187.11154	1.2
187.14828	7.2
189.05447	8.7
189.12743	1.5
189.16409	5.1
191.10640	0.7
195.08154	0.9
195.11696	1.8
197.13234	3.7
198.06737	0.7
199.03883	8.5
199.07549	2.2
199.14835	5.9
201.05496	6.9
201.09058	1.3
201.12820	0.8
201.16356	7.8
203.03403	5.3
203.06987	3.7
203.14378	1.4
203.17966	1.5
207.11681	1.4
209.13240	2.6
211.14873	3.6
212.04663	0.9
213.05519	4.9
213.09045	1.9
213.12723	0.9
213.16389	2.6
215.07120	3.3
215.14243	1.2
215.17892	2.0
216.06616	1.0
217.04999	1.1
217.08601	3.9
217.15843	1.5
221.13272	1.5
223.07561	1.2
223.14832	1.9
225.09077	0.9
225.12741	0.7
225.16348	2.4
226.06210	7.4
227.07018	2.7
227.14276	1.9
227.17950	2.4
228.07779	2.4
229.08600	31.9
229.19444	1.2
230.08949	1.1
231.06548	1.1
231.10162	8.4
231.13768	1.3
233.13219	0.8
235.14836	1.4
237.16408	1.2
239.07030	1.4
239.14224	1.2
239.17941	1.7
241.08594	30.7
241.15723	1.0
241.19485	1.4
242.08954	1.0
243.10159	26.1
244.10471	0.9
245.08107	9.8
245.15523	1.4
247.09659	69.9
248.10013	1.3
251.17787	0.8
253.08595	2.8
253.19603	1.6
255.10185	6.2
255.21051	1.3
257.08115	2.3
257.15311	0.9
259.09662	11.3
261.11041	1.0
263.17941	1.1
265.10733	1.3
265.19476	0.8
269.11807	1.0
269.22812	0.7
271.09665	0.9
277.19485	1.0
279.17523	1.0
279.21100	2.0
285.25775	0.8
293.22595	1.9
295.13303	14.5
295.16837	2.0
295.24179	9.4
296.13629	0.8
297.18442	2.8
299.19934	1.2
307.20758	0.8
313.14337	59.7
313.25037	5.5
314.14685	2.7
315.19504	1.8
319.24155	4.1
321.25720	2.4
323.19931	1.5
323.27625	0.8
325.21555	1.2
331.15402	27.4
332.15692	1.1
333.25888	1.9
337.21512	1.9
337.25357	2.5
341.20984	0.8
351.26932	3.2
355.22699	0.9
363.26822	5.7
367.22955	0.7
369.16949	2.3
369.27881	2.1
375.26837	1.2
381.27716	1.4
387.17981	2.2
387.30624	1.5
393.27783	2.0
405.31549	1.9
415.29980	6.7
433.31033	32.3
434.31189	1.5
451.32053	25.6
452.32428	1.2
469.33301	5.0
601.42023	2.3
619.43823	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	1000.6142
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04988	1.5
71.45344	1.2
72.71113	0.7
79.05488	6.9
81.03452	0.7
81.07058	6.6
83.04972	3.3
83.08627	1.3
85.06121	0.8
85.06546	7.0
91.05470	10.7
93.07051	9.5
95.04955	8.2
95.08600	11.8
97.06526	1.8
97.21584	1.0
105.06396	1.0
105.07028	9.8
105.16675	0.8
107.08587	12.1
109.06535	1.6
109.09476	1.1
109.10158	11.8
111.11710	1.1
115.05430	1.2
117.07021	3.3
119.04930	2.7
119.08569	12.2
121.06484	1.8
121.10134	8.5
123.08114	0.8
123.11687	3.2
128.06198	2.3
129.04208	0.7
129.07008	3.3
130.07709	1.0
131.04909	6.5
131.08560	7.2
133.06514	1.7
133.10139	9.6
135.11694	6.8
137.13249	2.3
141.06990	1.6
142.07756	1.3
143.08556	5.2
145.06470	0.9
145.10121	8.7
147.04416	10.4
147.11679	8.0
149.09637	1.3
149.13348	1.8
153.07011	0.9
153.09113	1.4
155.08551	3.5
156.09308	1.5
157.10144	7.0
159.04414	9.9
159.08017	1.0
159.11673	7.2
161.05951	0.9
161.09628	1.9
161.13304	3.2
163.03897	4.1
163.11171	1.0
163.14810	1.5
165.07085	0.9
167.08537	1.1
168.09338	0.9
169.10126	3.4
171.04433	1.2
171.11699	3.8
172.12326	1.1
173.05984	2.5
173.13242	5.3
175.03905	100.0
175.11256	1.5
175.14845	3.5
176.04285	1.2
177.05447	8.0
177.16376	1.0
179.08563	1.2
181.10136	2.2
183.11678	5.0
185.09666	1.2
185.13234	5.6
187.03893	30.0
187.07510	2.5
187.11224	1.4
187.14775	6.7
189.05457	9.0
189.16365	3.6
191.03450	1.0
193.10068	1.0
195.11688	1.9
197.09671	1.1
197.13261	3.1
198.06711	1.2
199.03891	7.7
199.07518	1.9
199.14810	4.2
201.05490	5.3
201.12784	1.0
201.16397	7.3
203.03426	4.4
203.07054	3.7
203.14299	1.0
203.17978	1.1
207.11740	1.0
208.26947	0.9
209.13258	2.1
211.14813	3.0
213.05498	5.1
213.09120	1.2
213.12717	1.3
213.16429	2.6
215.07080	4.3
215.14291	1.2
215.17924	1.3
216.06551	0.9
217.04990	1.9
217.08560	3.6
217.15785	1.0
221.13252	1.4
223.14989	1.2
225.08980	0.9
225.16403	2.0
226.06221	8.5
227.06967	2.3
227.14256	1.0
227.17929	2.1
228.07846	2.1
229.08588	24.2
231.10136	6.9
237.16312	1.5
239.07079	1.1
239.14336	1.1
239.17964	1.6
241.08594	23.8
241.19543	1.0
243.10144	22.5
245.08081	6.9
247.09654	44.5
249.16521	1.4
251.18019	1.7
253.08618	1.8
255.10143	4.9
257.08063	1.6
259.09644	7.9
267.17325	1.0
271.09460	0.9
279.21136	1.5
293.22543	1.0
295.13336	11.2
295.16705	1.5
295.24155	6.3
297.18491	1.6
305.22672	0.9
313.14316	38.6
313.25244	3.3
319.24222	2.2
321.25748	1.5
331.15393	17.7
333.25812	1.5
337.21674	1.1
337.25269	1.6
345.25830	1.0
351.26761	1.9
363.26837	4.2
369.17108	1.2
369.27780	0.9
381.27826	1.4
387.17981	1.1
393.27777	1.1
415.30048	3.5
433.31033	18.9
434.31375	1.2
451.32135	16.9
469.33051	2.3
599.40790	2.3
617.41888	3.4
671.74542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.6146
Annotation	Unknow
Peak:m/z	Relative Intensity
75.71793	1.5
79.05507	8.8
81.07052	8.7
83.04985	3.4
83.08612	2.1
85.06559	9.2
91.05486	10.9
93.07022	10.8
95.04966	12.2
95.08606	12.8
105.07039	12.2
107.08601	13.1
109.06450	3.3
109.10133	13.2
109.75094	1.5
117.07018	3.0
119.04918	1.7
119.08569	12.8
121.06487	2.6
121.10144	11.5
123.11692	3.4
129.06975	3.6
131.04929	3.0
131.08583	9.4
133.10139	14.7
135.11713	8.1
137.13231	2.2
142.07784	2.9
143.08563	5.0
145.10100	11.8
147.04396	9.3
147.11674	8.6
149.13351	2.0
155.08554	3.2
157.10126	8.5
159.04414	7.6
159.11687	8.6
161.09660	2.0
161.13232	4.4
163.03838	3.0
169.10107	2.6
171.11652	6.9
173.05960	3.2
173.09608	2.7
173.13248	4.8
175.03908	100.0
175.14792	4.8
176.04283	2.0
176.18825	1.4
177.05470	6.7
183.11662	5.7
185.09570	3.1
185.13203	7.0
187.03905	25.4
187.14853	6.6
189.05522	7.4
189.16364	4.5
195.11699	3.2
197.13232	4.0
199.03912	6.0
199.14841	3.3
201.05478	5.9
201.12810	1.7
201.16389	8.8
203.03369	5.5
203.06995	3.3
203.14375	1.4
209.13289	2.5
211.14847	4.3
213.05522	3.3
213.12805	2.0
213.16376	3.1
215.07068	2.3
217.08647	3.8
217.15894	1.6
223.07761	1.9
223.14865	2.9
226.06216	7.8
227.07018	3.4
227.17874	2.5
228.07800	3.2
229.08571	28.0
231.10135	6.8
241.08566	26.9
243.10196	22.2
245.08073	5.4
247.07132	2.9
247.09683	53.2
253.08626	3.0
255.10127	5.1
257.08096	1.8
259.09622	6.3
265.10806	2.0
269.11832	1.6
295.13266	8.3
295.24118	8.8
297.18283	1.6
313.14359	38.8
313.25101	3.7
319.24066	3.3
321.25647	3.3
331.15451	21.5
333.25754	2.3
337.21472	1.7
351.26691	2.8
363.26840	4.1
381.27838	2.8
415.29977	5.4
433.30975	21.7
451.32068	19.5
469.33044	5.8
617.41693	3.3
635.43011	2.0
775.12506	1.7
END